smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000000607702 557019132 /nfs/dbraw/zinc/01/91/32/557019132.db2.gz KAATUXNTWXVJKI-GGPKGHCWSA-N 0 0 416.304 6.178 50 30 in-man HKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(I)cc2)c1 ZINC000000622643 518645974 /nfs/dbraw/zinc/64/59/74/518645974.db2.gz FQKOLALADHXTGK-UHFFFAOYSA-N 0 0 420.294 5.381 50 30 HKEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000000622670 569383826 /nfs/dbraw/zinc/38/38/26/569383826.db2.gz JLVZLQQQELLRKW-UHFFFAOYSA-N 0 0 400.718 5.261 50 30 HKEARN COc1cc(-c2nc(SCC(C)C)c(C#N)c3c2CCCC3)cc(OC)c1OC ZINC000000622713 569383870 /nfs/dbraw/zinc/38/38/70/569383870.db2.gz BJUJWDYRJMDBAB-UHFFFAOYSA-N 0 0 412.555 5.273 50 30 HKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000000623087 569383823 /nfs/dbraw/zinc/38/38/23/569383823.db2.gz BQWLRMSGVBBONT-UHFFFAOYSA-N 0 0 405.331 5.964 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)o1 ZINC000000623278 557020281 /nfs/dbraw/zinc/02/02/81/557020281.db2.gz LXOITIRKEYAHFJ-UHFFFAOYSA-N 0 0 416.517 6.347 50 30 HKEARN N#C[C@@H](c1ccc(Br)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624469 557021297 /nfs/dbraw/zinc/02/12/97/557021297.db2.gz UJIISTHHKDALCE-YADHBBJMSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@@H](c1ccc(Br)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624471 557021286 /nfs/dbraw/zinc/02/12/86/557021286.db2.gz UJIISTHHKDALCE-VXKWHMMOSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@H](c1ccc(Br)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624473 557021258 /nfs/dbraw/zinc/02/12/58/557021258.db2.gz UJIISTHHKDALCE-FGZHOGPDSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@H](c1ccc(Br)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624475 557021271 /nfs/dbraw/zinc/02/12/71/557021271.db2.gz UJIISTHHKDALCE-FCHUYYIVSA-N 0 0 404.307 6.113 50 30 HKEARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C#N)c2cccc3ccccc32)cc1 ZINC000000624486 557021281 /nfs/dbraw/zinc/02/12/81/557021281.db2.gz SBQUBVHZJJOINF-SVBPBHIXSA-N 0 0 405.497 6.512 50 30 HKEARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](C#N)c2cccc3ccccc32)cc1 ZINC000000624488 557021190 /nfs/dbraw/zinc/02/11/90/557021190.db2.gz SBQUBVHZJJOINF-SXOMAYOGSA-N 0 0 405.497 6.512 50 30 HKEARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](C#N)c2cccc3ccccc32)cc1 ZINC000000624497 523592265 /nfs/dbraw/zinc/59/22/65/523592265.db2.gz SBQUBVHZJJOINF-RRPNLBNLSA-N 0 0 405.497 6.512 50 30 HKEARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](C#N)c2cccc3ccccc32)cc1 ZINC000000624498 557021196 /nfs/dbraw/zinc/02/11/96/557021196.db2.gz SBQUBVHZJJOINF-KAYWLYCHSA-N 0 0 405.497 6.512 50 30 HKEARN N#C[C@@H](c1cccc(Br)c1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624499 557021212 /nfs/dbraw/zinc/02/12/12/557021212.db2.gz VTDHEEVIYXHDBX-YADHBBJMSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@@H](c1cccc(Br)c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624501 557021185 /nfs/dbraw/zinc/02/11/85/557021185.db2.gz VTDHEEVIYXHDBX-VXKWHMMOSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@H](c1cccc(Br)c1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624503 557021205 /nfs/dbraw/zinc/02/12/05/557021205.db2.gz VTDHEEVIYXHDBX-FGZHOGPDSA-N 0 0 404.307 6.113 50 30 HKEARN N#C[C@H](c1cccc(Br)c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000624505 557021193 /nfs/dbraw/zinc/02/11/93/557021193.db2.gz VTDHEEVIYXHDBX-FCHUYYIVSA-N 0 0 404.307 6.113 50 30 HKEARN COc1cccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C#N)c2cccc3ccccc32)c1 ZINC000000624516 557021290 /nfs/dbraw/zinc/02/12/90/557021290.db2.gz CQIJACWOHRUKKJ-SVBPBHIXSA-N 0 0 405.497 6.512 50 30 HKEARN COc1cccc(C(=O)C[C@H](c2ccccc2)[C@@H](C#N)c2cccc3ccccc32)c1 ZINC000000624517 557021273 /nfs/dbraw/zinc/02/12/73/557021273.db2.gz CQIJACWOHRUKKJ-SXOMAYOGSA-N 0 0 405.497 6.512 50 30 HKEARN COc1cccc(C(=O)C[C@@H](c2ccccc2)[C@H](C#N)c2cccc3ccccc32)c1 ZINC000000624520 557021308 /nfs/dbraw/zinc/02/13/08/557021308.db2.gz CQIJACWOHRUKKJ-RRPNLBNLSA-N 0 0 405.497 6.512 50 30 HKEARN COc1cccc(C(=O)C[C@H](c2ccccc2)[C@H](C#N)c2cccc3ccccc32)c1 ZINC000000624522 525784551 /nfs/dbraw/zinc/78/45/51/525784551.db2.gz CQIJACWOHRUKKJ-KAYWLYCHSA-N 0 0 405.497 6.512 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000626277 569383816 /nfs/dbraw/zinc/38/38/16/569383816.db2.gz YFQKWNPZWPWPPW-UHFFFAOYSA-N 0 0 421.525 5.948 50 30 HKEARN CCc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1CCCC2 ZINC000000626521 569383842 /nfs/dbraw/zinc/38/38/42/569383842.db2.gz DFLQLOLNJFLKPA-UHFFFAOYSA-N 0 0 415.356 5.132 50 30 HKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000626632 557022899 /nfs/dbraw/zinc/02/28/99/557022899.db2.gz IWNFCHFHAHBNAY-HSZRJFAPSA-N 0 0 423.553 5.175 50 30 HKEARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000626637 557022931 /nfs/dbraw/zinc/02/29/31/557022931.db2.gz IWNFCHFHAHBNAY-QHCPKHFHSA-N 0 0 423.553 5.175 50 30 HKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000626742 557022838 /nfs/dbraw/zinc/02/28/38/557022838.db2.gz PIGUGUNPRRTJGI-HSZRJFAPSA-N 0 0 423.553 5.175 50 30 HKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000626746 557022867 /nfs/dbraw/zinc/02/28/67/557022867.db2.gz PIGUGUNPRRTJGI-QHCPKHFHSA-N 0 0 423.553 5.175 50 30 HKEARN Cc1ccc(COc2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2)cc1 ZINC000000627285 557023528 /nfs/dbraw/zinc/02/35/28/557023528.db2.gz GZSZLTWMXHYKFI-UHFFFAOYSA-N 0 0 413.517 5.275 50 30 HKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1cccs1 ZINC000000628565 569005900 /nfs/dbraw/zinc/00/59/00/569005900.db2.gz HTNKBECHPWZHME-UHFFFAOYSA-N 0 0 424.572 5.348 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000628606 520825546 /nfs/dbraw/zinc/82/55/46/520825546.db2.gz SAEQESXVHYPGSL-HSZRJFAPSA-N 0 0 401.506 5.034 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000628611 557024507 /nfs/dbraw/zinc/02/45/07/557024507.db2.gz SAEQESXVHYPGSL-QHCPKHFHSA-N 0 0 401.506 5.034 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl ZINC000000628821 557024564 /nfs/dbraw/zinc/02/45/64/557024564.db2.gz HHNMKNNDBPOYNZ-UHFFFAOYSA-N 0 0 418.364 5.967 50 30 HKEARN Cn1c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc2ccccc21 ZINC000000629460 557025316 /nfs/dbraw/zinc/02/53/16/557025316.db2.gz TXVPPTPQPLJSHB-UHFFFAOYSA-N 0 0 402.538 5.152 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c(F)cccc1Cl ZINC000000629516 557025182 /nfs/dbraw/zinc/02/51/82/557025182.db2.gz KXTFQPTWJSTLPJ-UHFFFAOYSA-N 0 0 401.909 5.452 50 30 HKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000630063 520779464 /nfs/dbraw/zinc/77/94/64/520779464.db2.gz DRGSEGANIJZNNN-DEOSSOPVSA-N 0 0 420.509 5.233 50 30 HKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000630067 568456307 /nfs/dbraw/zinc/45/63/07/568456307.db2.gz DRGSEGANIJZNNN-XMMPIXPASA-N 0 0 420.509 5.233 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Br)s1 ZINC000000630104 557025743 /nfs/dbraw/zinc/02/57/43/557025743.db2.gz HTKKZUPVABBXHV-GOSISDBHSA-N 0 0 403.345 5.733 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Br)s1 ZINC000000630107 557025785 /nfs/dbraw/zinc/02/57/85/557025785.db2.gz HTKKZUPVABBXHV-SFHVURJKSA-N 0 0 403.345 5.733 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000000630141 524040421 /nfs/dbraw/zinc/04/04/21/524040421.db2.gz BGWSQAWIJSVEQT-PIKZIKFNSA-N 0 0 424.544 6.237 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000000630143 524056907 /nfs/dbraw/zinc/05/69/07/524056907.db2.gz BGWSQAWIJSVEQT-LYZGTLIUSA-N 0 0 424.544 6.237 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000000630146 524040472 /nfs/dbraw/zinc/04/04/72/524040472.db2.gz BGWSQAWIJSVEQT-KMRXNPHXSA-N 0 0 424.544 6.237 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000000630149 557025812 /nfs/dbraw/zinc/02/58/12/557025812.db2.gz BGWSQAWIJSVEQT-RBTNQOKQSA-N 0 0 424.544 6.237 50 30 HKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000630217 569005969 /nfs/dbraw/zinc/00/59/69/569005969.db2.gz OCMNDIUMSIHEOO-UHFFFAOYSA-N 0 0 415.565 5.270 50 30 HKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000630806 557026122 /nfs/dbraw/zinc/02/61/22/557026122.db2.gz MPWPSVNMPQBLGN-WINIVTDRSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000630810 521589910 /nfs/dbraw/zinc/58/99/10/521589910.db2.gz MPWPSVNMPQBLGN-XHCCPWGMSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000630813 557026105 /nfs/dbraw/zinc/02/61/05/557026105.db2.gz MPWPSVNMPQBLGN-PPHZAIPVSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000630818 521590686 /nfs/dbraw/zinc/59/06/86/521590686.db2.gz MPWPSVNMPQBLGN-UZTOHYMASA-N 0 0 410.517 6.065 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1cc3c(cc1Cl)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000630879 525592332 /nfs/dbraw/zinc/59/23/32/525592332.db2.gz IOYBVXGEPKKEBH-HSZRJFAPSA-N 0 0 424.928 5.907 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1cc3c(cc1Cl)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000630883 557026472 /nfs/dbraw/zinc/02/64/72/557026472.db2.gz IOYBVXGEPKKEBH-QHCPKHFHSA-N 0 0 424.928 5.907 50 30 HKEARN COc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000630946 557026447 /nfs/dbraw/zinc/02/64/47/557026447.db2.gz ARCOLLUBSRHIQJ-HSZRJFAPSA-N 0 0 406.526 5.543 50 30 HKEARN COc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000630949 557026486 /nfs/dbraw/zinc/02/64/86/557026486.db2.gz ARCOLLUBSRHIQJ-QHCPKHFHSA-N 0 0 406.526 5.543 50 30 HKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000630956 521417434 /nfs/dbraw/zinc/41/74/34/521417434.db2.gz KNVJRQPNHODUPV-HRFSGMKKSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000630961 557026476 /nfs/dbraw/zinc/02/64/76/557026476.db2.gz KNVJRQPNHODUPV-NFQMXDRXSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000630965 521417304 /nfs/dbraw/zinc/41/73/04/521417304.db2.gz KNVJRQPNHODUPV-DCFHFQCYSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000630970 521425286 /nfs/dbraw/zinc/42/52/86/521425286.db2.gz KNVJRQPNHODUPV-CCLHPLFOSA-N 0 0 410.517 6.065 50 30 HKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000630974 557026362 /nfs/dbraw/zinc/02/63/62/557026362.db2.gz SXLXYPLKDJLJND-HRFSGMKKSA-N 0 0 409.533 5.732 50 30 HKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000630978 557026377 /nfs/dbraw/zinc/02/63/77/557026377.db2.gz SXLXYPLKDJLJND-NFQMXDRXSA-N 0 0 409.533 5.732 50 30 HKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000630981 557026395 /nfs/dbraw/zinc/02/63/95/557026395.db2.gz SXLXYPLKDJLJND-DCFHFQCYSA-N 0 0 409.533 5.732 50 30 HKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000630986 522250692 /nfs/dbraw/zinc/25/06/92/522250692.db2.gz SXLXYPLKDJLJND-CCLHPLFOSA-N 0 0 409.533 5.732 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000631010 557026374 /nfs/dbraw/zinc/02/63/74/557026374.db2.gz WQQQCGKAADEQTM-HSZRJFAPSA-N 0 0 404.510 5.312 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000631012 557026360 /nfs/dbraw/zinc/02/63/60/557026360.db2.gz WQQQCGKAADEQTM-QHCPKHFHSA-N 0 0 404.510 5.312 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000000631028 557026419 /nfs/dbraw/zinc/02/64/19/557026419.db2.gz WPPAUEUQUBIOLB-AVRWGWEMSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000000631031 557026480 /nfs/dbraw/zinc/02/64/80/557026480.db2.gz WPPAUEUQUBIOLB-IQGLISFBSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000000631033 527024987 /nfs/dbraw/zinc/02/49/87/527024987.db2.gz WPPAUEUQUBIOLB-BVZFJXPGSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000000631036 557026356 /nfs/dbraw/zinc/02/63/56/557026356.db2.gz WPPAUEUQUBIOLB-CJAUYULYSA-N 0 0 400.909 6.320 50 30 HKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000000631664 557027050 /nfs/dbraw/zinc/02/70/50/557027050.db2.gz NLURCGSPXUXRBD-UHFFFAOYSA-N 0 0 412.514 5.369 50 30 HKEARN Cc1cc(Oc2cc(-n3ncc(C#N)c3N)nc(-c3ccccc3)n2)cc(C(C)C)c1 ZINC000000632494 569383790 /nfs/dbraw/zinc/38/37/90/569383790.db2.gz JCKXOXORXHAUNY-UHFFFAOYSA-N 0 0 410.481 5.007 50 30 HKEARN Cc1nn(-c2cc(Oc3cc(C)cc(C(C)C)c3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632497 569383781 /nfs/dbraw/zinc/38/37/81/569383781.db2.gz HQBQYMLKBHISQD-UHFFFAOYSA-N 0 0 424.508 5.316 50 30 HKEARN Cc1nn(-c2cc(Oc3cccc4ccccc43)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632650 569383886 /nfs/dbraw/zinc/38/38/86/569383886.db2.gz XSIXJIDROHOVHT-UHFFFAOYSA-N 0 0 418.460 5.037 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(C)cc2)o1 ZINC000000632815 520496220 /nfs/dbraw/zinc/49/62/20/520496220.db2.gz CIRBXBXIXPSFSS-DEOSSOPVSA-N 0 0 419.521 5.422 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(C)cc2)o1 ZINC000000632821 557027667 /nfs/dbraw/zinc/02/76/67/557027667.db2.gz CIRBXBXIXPSFSS-XMMPIXPASA-N 0 0 419.521 5.422 50 30 HKEARN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000633672 569383883 /nfs/dbraw/zinc/38/38/83/569383883.db2.gz NVQLKPATNHSRGS-UHFFFAOYSA-N 0 0 417.472 5.728 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000635077 557029168 /nfs/dbraw/zinc/02/91/68/557029168.db2.gz ANDGKTHYGNUQRE-KRWDZBQOSA-N 0 0 408.325 5.161 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000635080 557029163 /nfs/dbraw/zinc/02/91/63/557029163.db2.gz ANDGKTHYGNUQRE-QGZVFWFLSA-N 0 0 408.325 5.161 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1Cl ZINC000000635084 520257596 /nfs/dbraw/zinc/25/75/96/520257596.db2.gz HYPNMQKSAYTWMM-UHFFFAOYSA-N 0 0 418.364 5.967 50 30 HKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000000636694 557029813 /nfs/dbraw/zinc/02/98/13/557029813.db2.gz HWULPRRGXWWXTM-UHFFFAOYSA-N 0 0 420.306 5.628 50 30 HKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000000636884 557030205 /nfs/dbraw/zinc/03/02/05/557030205.db2.gz IUDLVJPXIFWOMY-UHFFFAOYSA-N 0 0 413.945 5.322 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(O)cc2)c1Cc1ccccc1 ZINC000000638235 569383868 /nfs/dbraw/zinc/38/38/68/569383868.db2.gz IFZMQAGUUHLQQG-UHFFFAOYSA-N 0 0 404.473 5.708 50 30 HKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(C)c1 ZINC000000638317 569383810 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CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)ccc1O ZINC000000675445 520785492 /nfs/dbraw/zinc/78/54/92/520785492.db2.gz ITFDNEWZNXYIKG-AREMUKBSSA-N 0 0 413.517 6.254 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c(Cl)cccc1Cl ZINC000000675983 520267535 /nfs/dbraw/zinc/26/75/35/520267535.db2.gz REMUVTJOJJLAPN-UHFFFAOYSA-N 0 0 419.348 6.394 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000000676795 557053210 /nfs/dbraw/zinc/05/32/10/557053210.db2.gz NEYVEJUKPTULDV-DWXRJYCRSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000000676798 557053157 /nfs/dbraw/zinc/05/31/57/557053157.db2.gz NEYVEJUKPTULDV-WXTAPIANSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000000676801 557053176 /nfs/dbraw/zinc/05/31/76/557053176.db2.gz NEYVEJUKPTULDV-QYBDOPJKSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 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30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000000685701 557058378 /nfs/dbraw/zinc/05/83/78/557058378.db2.gz NRLLPGQHADAYFB-DWACAAAGSA-N 0 0 422.528 5.916 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000000685702 557058392 /nfs/dbraw/zinc/05/83/92/557058392.db2.gz NRLLPGQHADAYFB-RBISFHTESA-N 0 0 422.528 5.916 50 30 HKEARN C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000000685799 569005883 /nfs/dbraw/zinc/00/58/83/569005883.db2.gz HSXODDNQMZYVTH-UHFFFAOYSA-N 0 0 421.338 5.787 50 30 HKEARN Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c(C#N)c(C)c1C ZINC000000688334 132230932 /nfs/dbraw/zinc/23/09/32/132230932.db2.gz JEQULRULRKFPIN-UHFFFAOYSA-N 0 0 417.559 5.800 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc4c(c3)OCO4)sc2C1 ZINC000000688770 568461761 /nfs/dbraw/zinc/46/17/61/568461761.db2.gz JQWPQTDNVBMVLT-BOSPYUDASA-N 0 0 408.523 5.151 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc4c(c3)OCO4)sc2C1 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C[C@H]1CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C[C@H](C)O1 ZINC000000704007 569384113 /nfs/dbraw/zinc/38/41/13/569384113.db2.gz PYGNXTJURVVWHJ-HOTGVXAUSA-N 0 0 423.900 5.059 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 ZINC000000704493 557063282 /nfs/dbraw/zinc/06/32/82/557063282.db2.gz AJMYTAVISWTUIT-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn32)ccc1Cl ZINC000000704835 568463026 /nfs/dbraw/zinc/46/30/26/568463026.db2.gz XUZYWUPRAIMXMS-ZVBGSRNCSA-N 0 0 401.209 5.560 50 30 HKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000000704883 569384209 /nfs/dbraw/zinc/38/42/09/569384209.db2.gz HBTXGOGAPPVOGE-UHFFFAOYSA-N 0 0 415.234 5.018 50 30 HKEARN CC(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000704889 519758909 /nfs/dbraw/zinc/75/89/09/519758909.db2.gz PHURQVSHBQLNIN-UHFFFAOYSA-N 0 0 408.494 5.012 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)c(OC)c1 ZINC000000704893 568463073 /nfs/dbraw/zinc/46/30/73/568463073.db2.gz FCLFKQSDVHZVMS-SANMLTNESA-N 0 0 413.517 6.167 50 30 HKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)c(OC)c1 ZINC000000704894 568463072 /nfs/dbraw/zinc/46/30/72/568463072.db2.gz FCLFKQSDVHZVMS-AREMUKBSSA-N 0 0 413.517 6.167 50 30 HKEARN COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)ccc1OC(C)=O ZINC000000705187 568463295 /nfs/dbraw/zinc/46/32/95/568463295.db2.gz SNBAZYMWZJDXOB-AFUMVMLFSA-N 0 0 416.502 5.956 50 30 HKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Cl)c2Cl)ccc1O ZINC000000705690 557063662 /nfs/dbraw/zinc/06/36/62/557063662.db2.gz UESBTQNHTUZTQA-WYMPLXKRSA-N 0 0 412.276 5.773 50 30 HKEARN COC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000000705868 568463370 /nfs/dbraw/zinc/46/33/70/568463370.db2.gz GAOZAEGXMCEYEF-UHFFFAOYSA-N 0 0 400.912 5.267 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000705879 568463404 /nfs/dbraw/zinc/46/34/04/568463404.db2.gz WWZNNYKEDPRBEJ-GFCCVEGCSA-N 0 0 400.550 5.454 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000705880 568463391 /nfs/dbraw/zinc/46/33/91/568463391.db2.gz WWZNNYKEDPRBEJ-LBPRGKRZSA-N 0 0 400.550 5.454 50 30 HKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1cccs1)CCCC2 ZINC000000705944 568463457 /nfs/dbraw/zinc/46/34/57/568463457.db2.gz ZEEKZKMSAKUJHX-UHFFFAOYSA-N 0 0 420.559 5.396 50 30 HKEARN C=COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000000706166 569384059 /nfs/dbraw/zinc/38/40/59/569384059.db2.gz JNMGZOZYLBJVPX-UHFFFAOYSA-N 0 0 402.475 5.075 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)OC1=C2C(=O)c2ccccc21 ZINC000000707383 557064583 /nfs/dbraw/zinc/06/45/83/557064583.db2.gz ZCCVVNXEFUBQCQ-QHCPKHFHSA-N 0 0 404.849 5.541 50 30 biogenic HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)OC1=C2C(=O)c2ccccc21 ZINC000000707384 523040814 /nfs/dbraw/zinc/04/08/14/523040814.db2.gz ZCCVVNXEFUBQCQ-HSZRJFAPSA-N 0 0 404.849 5.541 50 30 biogenic HKEARN CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000000707762 557064893 /nfs/dbraw/zinc/06/48/93/557064893.db2.gz SXXVIMBMAIIDIV-NRFANRHFSA-N 0 0 406.284 5.372 50 30 HKEARN CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000000707763 557064986 /nfs/dbraw/zinc/06/49/86/557064986.db2.gz SXXVIMBMAIIDIV-OAQYLSRUSA-N 0 0 406.284 5.372 50 30 HKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000708843 557065307 /nfs/dbraw/zinc/06/53/07/557065307.db2.gz QNWVTERWDJFHCY-BCHFMIIMSA-N 0 0 412.558 6.388 50 30 HKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000708844 557065216 /nfs/dbraw/zinc/06/52/16/557065216.db2.gz QNWVTERWDJFHCY-NIYFSFCBSA-N 0 0 412.558 6.388 50 30 HKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000708845 557065196 /nfs/dbraw/zinc/06/51/96/557065196.db2.gz QNWVTERWDJFHCY-SIBVEZHUSA-N 0 0 412.558 6.388 50 30 HKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000708846 557065290 /nfs/dbraw/zinc/06/52/90/557065290.db2.gz QNWVTERWDJFHCY-AFMDSPMNSA-N 0 0 412.558 6.388 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000000708851 557065250 /nfs/dbraw/zinc/06/52/50/557065250.db2.gz CDTHXNWHVDQFIX-SSOJOUAXSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000000708852 527033045 /nfs/dbraw/zinc/03/30/45/527033045.db2.gz CDTHXNWHVDQFIX-CRICUBBOSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000000708853 557065236 /nfs/dbraw/zinc/06/52/36/557065236.db2.gz CDTHXNWHVDQFIX-GKVSMKOHSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000000708854 527032562 /nfs/dbraw/zinc/03/25/62/527032562.db2.gz CDTHXNWHVDQFIX-NSYGIPOTSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000000709282 527031348 /nfs/dbraw/zinc/03/13/48/527031348.db2.gz WOUQIMBETIGTJB-OSPHWJPCSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000000709283 557065603 /nfs/dbraw/zinc/06/56/03/557065603.db2.gz WOUQIMBETIGTJB-MZNJEOGPSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000000709284 557065526 /nfs/dbraw/zinc/06/55/26/557065526.db2.gz WOUQIMBETIGTJB-XDHUDOTRSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000000709285 527022775 /nfs/dbraw/zinc/02/27/75/527022775.db2.gz WOUQIMBETIGTJB-BXKMTCNYSA-N 0 0 401.897 5.715 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000709577 557065587 /nfs/dbraw/zinc/06/55/87/557065587.db2.gz VATHCBGDQMOEST-OAQYLSRUSA-N 0 0 411.343 5.979 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCCCC1 ZINC000000709596 569384291 /nfs/dbraw/zinc/38/42/91/569384291.db2.gz KBGNHURVEQISAM-UHFFFAOYSA-N 0 0 413.546 5.392 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000709779 557065863 /nfs/dbraw/zinc/06/58/63/557065863.db2.gz XLGWEVGPVOWTDJ-IBVKSMDESA-N 0 0 424.500 5.453 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000709780 557065790 /nfs/dbraw/zinc/06/57/90/557065790.db2.gz XLGWEVGPVOWTDJ-FQRUVTKNSA-N 0 0 424.500 5.453 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000709781 557065802 /nfs/dbraw/zinc/06/58/02/557065802.db2.gz XLGWEVGPVOWTDJ-FNZWTVRRSA-N 0 0 424.500 5.453 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000709782 522174110 /nfs/dbraw/zinc/17/41/10/522174110.db2.gz XLGWEVGPVOWTDJ-RXFWQSSRSA-N 0 0 424.500 5.453 50 30 HKEARN C=CCn1c(SCc2c(C)noc2C)nc2sc(-c3ccccc3)cc2c1=O ZINC000000710372 519237768 /nfs/dbraw/zinc/23/77/68/519237768.db2.gz RMVRPWYXPKDEHW-UHFFFAOYSA-N 0 0 409.536 5.208 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000000710700 557066083 /nfs/dbraw/zinc/06/60/83/557066083.db2.gz NYDJDWTXVLHYDB-GZIVZEMBSA-N 0 0 406.173 5.185 50 30 HKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000710753 519759213 /nfs/dbraw/zinc/75/92/13/519759213.db2.gz FZRAUYYWPSUJTA-HRFSGMKKSA-N 0 0 424.500 5.591 50 30 HKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000710754 519759658 /nfs/dbraw/zinc/75/96/58/519759658.db2.gz FZRAUYYWPSUJTA-NFQMXDRXSA-N 0 0 424.500 5.591 50 30 HKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000710755 557066072 /nfs/dbraw/zinc/06/60/72/557066072.db2.gz FZRAUYYWPSUJTA-DCFHFQCYSA-N 0 0 424.500 5.591 50 30 HKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000710756 557066112 /nfs/dbraw/zinc/06/61/12/557066112.db2.gz FZRAUYYWPSUJTA-CCLHPLFOSA-N 0 0 424.500 5.591 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)s1 ZINC000000710757 524040525 /nfs/dbraw/zinc/04/05/25/524040525.db2.gz PAQKLJNQIMJOQI-NSYGIPOTSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)s1 ZINC000000710758 557066128 /nfs/dbraw/zinc/06/61/28/557066128.db2.gz PAQKLJNQIMJOQI-CRICUBBOSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 ZINC000000710759 557066048 /nfs/dbraw/zinc/06/60/48/557066048.db2.gz PAQKLJNQIMJOQI-GKVSMKOHSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)s1 ZINC000000710760 557066101 /nfs/dbraw/zinc/06/61/01/557066101.db2.gz PAQKLJNQIMJOQI-SSOJOUAXSA-N 0 0 400.547 6.290 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 ZINC000000710772 557066044 /nfs/dbraw/zinc/06/60/44/557066044.db2.gz XXZYQBNZJPDXAW-IVCQMTBJSA-N 0 0 402.444 5.944 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc(F)ccc1F)Nc1ccccc1N2 ZINC000000710773 557066089 /nfs/dbraw/zinc/06/60/89/557066089.db2.gz XXZYQBNZJPDXAW-PUAOIOHZSA-N 0 0 402.444 5.944 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 ZINC000000710774 557066079 /nfs/dbraw/zinc/06/60/79/557066079.db2.gz XXZYQBNZJPDXAW-LMKMVOKYSA-N 0 0 402.444 5.944 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc(F)ccc1F)Nc1ccccc1N2 ZINC000000710775 557066093 /nfs/dbraw/zinc/06/60/93/557066093.db2.gz XXZYQBNZJPDXAW-CPJLOUKISA-N 0 0 402.444 5.944 50 30 HKEARN COc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2C)c1O ZINC000000710908 557066164 /nfs/dbraw/zinc/06/61/64/557066164.db2.gz VSORLVJBKDCPFK-UFWORHAWSA-N 0 0 413.109 5.293 50 30 HKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000710982 557066137 /nfs/dbraw/zinc/06/61/37/557066137.db2.gz DGYGCPNNNJLHNK-AREMUKBSSA-N 0 0 413.517 6.167 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000710983 557066491 /nfs/dbraw/zinc/06/64/91/557066491.db2.gz DGYGCPNNNJLHNK-SANMLTNESA-N 0 0 413.517 6.167 50 30 HKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1 ZINC000000711200 523226146 /nfs/dbraw/zinc/22/61/46/523226146.db2.gz XYQXVSROFHJBPG-YDZHTSKRSA-N 0 0 407.267 6.017 50 30 HKEARN Cc1cccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)c1 ZINC000000711451 524120058 /nfs/dbraw/zinc/12/00/58/524120058.db2.gz VNQZSYPAANWQTH-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000000711623 557066444 /nfs/dbraw/zinc/06/64/44/557066444.db2.gz VRNXBSLBCFYTNY-CVKSISIWSA-N 0 0 423.428 6.722 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000000711653 526152370 /nfs/dbraw/zinc/15/23/70/526152370.db2.gz RZWRDQDUPFUEMV-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)ccc1Br ZINC000000712027 557066494 /nfs/dbraw/zinc/06/64/94/557066494.db2.gz GLYNDSBNFOZDLQ-RGVLZGJSSA-N 0 0 411.215 5.016 50 30 HKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000712085 520689848 /nfs/dbraw/zinc/68/98/48/520689848.db2.gz MJEPXLGVNQBDFZ-UHFFFAOYSA-N 0 0 410.510 5.191 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000712145 522173509 /nfs/dbraw/zinc/17/35/09/522173509.db2.gz NQMMMJIBMRLKBA-RUZDIDTESA-N 0 0 411.501 5.936 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000712146 557066477 /nfs/dbraw/zinc/06/64/77/557066477.db2.gz NQMMMJIBMRLKBA-VWLOTQADSA-N 0 0 411.501 5.936 50 30 HKEARN CCOC(=O)c1c(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc32)sc2c1CCCC2 ZINC000000712354 557066709 /nfs/dbraw/zinc/06/67/09/557066709.db2.gz ASAPPZACRVLAHE-FSJBWODESA-N 0 0 424.478 5.321 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1C(F)(F)F ZINC000000712444 520270943 /nfs/dbraw/zinc/27/09/43/520270943.db2.gz PTUHUWLCQONBIG-UHFFFAOYSA-N 0 0 418.455 6.106 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000712743 557066694 /nfs/dbraw/zinc/06/66/94/557066694.db2.gz PFSVYNIOXMODFF-VWLOTQADSA-N 0 0 411.501 5.936 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000000712744 522174260 /nfs/dbraw/zinc/17/42/60/522174260.db2.gz PFSVYNIOXMODFF-RUZDIDTESA-N 0 0 411.501 5.936 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)sc2c1 ZINC000000712949 557066756 /nfs/dbraw/zinc/06/67/56/557066756.db2.gz XGFYWJZXPNESRE-FOKLQQMPSA-N 0 0 417.446 5.659 50 30 HKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N ZINC000000714285 568465619 /nfs/dbraw/zinc/46/56/19/568465619.db2.gz ZPTORVMFCLWBTE-UHFFFAOYSA-N 0 0 419.350 5.030 50 30 HKEARN C=CCn1c(SCC(=O)c2cccc3ccccc32)nnc1-c1ccc(OC)cc1 ZINC000000714469 569006031 /nfs/dbraw/zinc/00/60/31/569006031.db2.gz AIENSIKABUGOGU-UHFFFAOYSA-N 0 0 415.518 5.268 50 30 HKEARN Cc1ccc(N2C(=O)c3ccc(/N=C/c4c(Cl)cccc4Cl)cc3C2=O)cc1 ZINC000000714690 568465743 /nfs/dbraw/zinc/46/57/43/568465743.db2.gz VBLBWBNNOQMAMI-BRJLIKDPSA-N 0 0 409.272 5.853 50 30 HKEARN C(=N/c1c(-c2ccco2)nc2ccccn21)\c1cn(Cc2ccccc2)c2ccccc12 ZINC000000714767 518378525 /nfs/dbraw/zinc/37/85/25/518378525.db2.gz JUBBTURZTXMENH-OGLMXYFKSA-N 0 0 416.484 6.348 50 30 HKEARN Cc1cccc(S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000000715318 568465818 /nfs/dbraw/zinc/46/58/18/568465818.db2.gz RDAMZMBTLYIGEO-XDOYNYLZSA-N 0 0 401.940 5.576 50 30 HKEARN Cc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000000715821 569384185 /nfs/dbraw/zinc/38/41/85/569384185.db2.gz NRBSTIBNQIQQSP-UHFFFAOYSA-N 0 0 408.457 5.811 50 30 HKEARN CCc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 ZINC000000715862 569384229 /nfs/dbraw/zinc/38/42/29/569384229.db2.gz JINIDDDOAQNURJ-UHFFFAOYSA-N 0 0 417.534 5.385 50 30 HKEARN Cc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1 ZINC000000715879 569384184 /nfs/dbraw/zinc/38/41/84/569384184.db2.gz ITWYEFXYIRTIAI-UHFFFAOYSA-N 0 0 403.507 5.131 50 30 HKEARN Cc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)cc1 ZINC000000715881 569384227 /nfs/dbraw/zinc/38/42/27/569384227.db2.gz TUTMOOHVIDBJJE-UHFFFAOYSA-N 0 0 403.507 5.131 50 30 HKEARN Cc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1C ZINC000000715884 569384195 /nfs/dbraw/zinc/38/41/95/569384195.db2.gz IDPHXDRGXHTJAY-UHFFFAOYSA-N 0 0 417.534 5.440 50 30 HKEARN Cc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 ZINC000000715939 569384266 /nfs/dbraw/zinc/38/42/66/569384266.db2.gz WTFVDPWAUMHNLS-UHFFFAOYSA-N 0 0 403.507 5.131 50 30 HKEARN Cc1ccc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1 ZINC000000715942 569384242 /nfs/dbraw/zinc/38/42/42/569384242.db2.gz HHXYWJDABFOWCZ-UHFFFAOYSA-N 0 0 417.534 5.440 50 30 HKEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000717196 557068435 /nfs/dbraw/zinc/06/84/35/557068435.db2.gz VMMFZKZMOAGDST-FQEVSTJZSA-N 0 0 423.921 5.223 50 30 HKEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000717197 557068429 /nfs/dbraw/zinc/06/84/29/557068429.db2.gz VMMFZKZMOAGDST-HXUWFJFHSA-N 0 0 423.921 5.223 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000717248 557068479 /nfs/dbraw/zinc/06/84/79/557068479.db2.gz WRRWDRFYUZNHQM-IVCQMTBJSA-N 0 0 416.908 6.025 50 30 biogenic,in-vitro HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000717249 557068416 /nfs/dbraw/zinc/06/84/16/557068416.db2.gz WRRWDRFYUZNHQM-PUAOIOHZSA-N 0 0 416.908 6.025 50 30 biogenic,in-vitro HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000717250 557068366 /nfs/dbraw/zinc/06/83/66/557068366.db2.gz WRRWDRFYUZNHQM-LMKMVOKYSA-N 0 0 416.908 6.025 50 30 biogenic,in-vitro HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2 ZINC000000717251 557068347 /nfs/dbraw/zinc/06/83/47/557068347.db2.gz WRRWDRFYUZNHQM-CPJLOUKISA-N 0 0 416.908 6.025 50 30 biogenic,in-vitro HKEARN COc1ccc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000000717359 568465921 /nfs/dbraw/zinc/46/59/21/568465921.db2.gz YAILXULAOCZEEC-HSZRJFAPSA-N 0 0 400.478 5.125 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000000717360 568465844 /nfs/dbraw/zinc/46/58/44/568465844.db2.gz YAILXULAOCZEEC-QHCPKHFHSA-N 0 0 400.478 5.125 50 30 HKEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl ZINC000000717758 557068700 /nfs/dbraw/zinc/06/87/00/557068700.db2.gz BWMAKPPCDWBPRF-FQEVSTJZSA-N 0 0 423.921 5.223 50 30 HKEARN O=C(c1cccs1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000000717759 557068729 /nfs/dbraw/zinc/06/87/29/557068729.db2.gz BWMAKPPCDWBPRF-HXUWFJFHSA-N 0 0 423.921 5.223 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000718049 557069067 /nfs/dbraw/zinc/06/90/67/557069067.db2.gz JKVJQKRPPZDIJP-IVCQMTBJSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000718051 557069077 /nfs/dbraw/zinc/06/90/77/557069077.db2.gz JKVJQKRPPZDIJP-PUAOIOHZSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000718052 557069079 /nfs/dbraw/zinc/06/90/79/557069079.db2.gz JKVJQKRPPZDIJP-LMKMVOKYSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000000718053 557069143 /nfs/dbraw/zinc/06/91/43/557069143.db2.gz JKVJQKRPPZDIJP-CPJLOUKISA-N 0 0 416.908 6.025 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)o1 ZINC000000718063 557069060 /nfs/dbraw/zinc/06/90/60/557069060.db2.gz ULDBDRNCIXESAH-MYYSRTQBSA-N 0 0 404.897 6.221 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)o1 ZINC000000718064 557069115 /nfs/dbraw/zinc/06/91/15/557069115.db2.gz ULDBDRNCIXESAH-OYLFLEFRSA-N 0 0 404.897 6.221 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)o1 ZINC000000718065 557069006 /nfs/dbraw/zinc/06/90/06/557069006.db2.gz ULDBDRNCIXESAH-OWJWWREXSA-N 0 0 404.897 6.221 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)o1 ZINC000000718066 557069159 /nfs/dbraw/zinc/06/91/59/557069159.db2.gz ULDBDRNCIXESAH-IZHWHUGBSA-N 0 0 404.897 6.221 50 30 HKEARN COc1ccc(OC)c([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)c1 ZINC000000718160 568465840 /nfs/dbraw/zinc/46/58/40/568465840.db2.gz JPUPZUYWHOOZJD-XMMPIXPASA-N 0 0 400.478 5.125 50 30 HKEARN COc1ccc(OC)c([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)c1 ZINC000000718161 568465918 /nfs/dbraw/zinc/46/59/18/568465918.db2.gz JPUPZUYWHOOZJD-DEOSSOPVSA-N 0 0 400.478 5.125 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000718165 557069123 /nfs/dbraw/zinc/06/91/23/557069123.db2.gz GSUWKXJOYHKFHQ-LFVRLGFBSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000718166 557069098 /nfs/dbraw/zinc/06/90/98/557069098.db2.gz GSUWKXJOYHKFHQ-QKFKETGDSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000000718167 557068995 /nfs/dbraw/zinc/06/89/95/557068995.db2.gz GSUWKXJOYHKFHQ-PSLXWICFSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000000718168 557069104 /nfs/dbraw/zinc/06/91/04/557069104.db2.gz GSUWKXJOYHKFHQ-FATZIPQQSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718173 557069167 /nfs/dbraw/zinc/06/91/67/557069167.db2.gz UXIHUCBYCBPCKQ-NPMXOYFQSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718174 557069138 /nfs/dbraw/zinc/06/91/38/557069138.db2.gz UXIHUCBYCBPCKQ-IQMFZBJNSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718175 557069110 /nfs/dbraw/zinc/06/91/10/557069110.db2.gz UXIHUCBYCBPCKQ-WNSKOXEYSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000718176 557069163 /nfs/dbraw/zinc/06/91/63/557069163.db2.gz UXIHUCBYCBPCKQ-CMJOXMDJSA-N 0 0 406.938 6.381 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)s1 ZINC000000718177 557069133 /nfs/dbraw/zinc/06/91/33/557069133.db2.gz XVBVQFAINLAVPI-MYYSRTQBSA-N 0 0 420.965 6.689 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)s1 ZINC000000718178 557069087 /nfs/dbraw/zinc/06/90/87/557069087.db2.gz XVBVQFAINLAVPI-OYLFLEFRSA-N 0 0 420.965 6.689 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)s1 ZINC000000718179 557069001 /nfs/dbraw/zinc/06/90/01/557069001.db2.gz XVBVQFAINLAVPI-OWJWWREXSA-N 0 0 420.965 6.689 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)s1 ZINC000000718180 557069073 /nfs/dbraw/zinc/06/90/73/557069073.db2.gz XVBVQFAINLAVPI-IZHWHUGBSA-N 0 0 420.965 6.689 50 30 HKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N3)n1 ZINC000000718213 568465903 /nfs/dbraw/zinc/46/59/03/568465903.db2.gz XKMTVXNZSQURRA-JOCHJYFZSA-N 0 0 409.316 6.415 50 30 HKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N3)n1 ZINC000000718214 568465877 /nfs/dbraw/zinc/46/58/77/568465877.db2.gz XKMTVXNZSQURRA-QFIPXVFZSA-N 0 0 409.316 6.415 50 30 HKEARN COc1ccc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000000718226 568465830 /nfs/dbraw/zinc/46/58/30/568465830.db2.gz NHSZDZJECDSBPQ-XMMPIXPASA-N 0 0 400.478 5.125 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000000718227 568465905 /nfs/dbraw/zinc/46/59/05/568465905.db2.gz NHSZDZJECDSBPQ-DEOSSOPVSA-N 0 0 400.478 5.125 50 30 HKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N3)n1 ZINC000000718232 568465914 /nfs/dbraw/zinc/46/59/14/568465914.db2.gz DHVDDSOUVSSEFO-JOCHJYFZSA-N 0 0 408.423 6.127 50 30 HKEARN Cc1ccc2c(ccc3c2[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N3)n1 ZINC000000718233 568465875 /nfs/dbraw/zinc/46/58/75/568465875.db2.gz DHVDDSOUVSSEFO-QFIPXVFZSA-N 0 0 408.423 6.127 50 30 HKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(-c4ccccc4)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718324 568465889 /nfs/dbraw/zinc/46/58/89/568465889.db2.gz VJPBRCNVRZYWQJ-HHHXNRCGSA-N 0 0 416.524 6.775 50 30 HKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(-c4ccccc4)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718325 568465883 /nfs/dbraw/zinc/46/58/83/568465883.db2.gz VJPBRCNVRZYWQJ-MHZLTWQESA-N 0 0 416.524 6.775 50 30 HKEARN O=C1CCCC2=C1C(c1ccc(OCc3ccccc3F)cc1)C1=C(CCCC1=O)O2 ZINC000000718346 568465836 /nfs/dbraw/zinc/46/58/36/568465836.db2.gz LMSKFFORTXTXLR-UHFFFAOYSA-N 0 0 418.464 5.533 50 30 HKEARN Cc1ccc2c(ccc3c2[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N3)n1 ZINC000000718353 568465873 /nfs/dbraw/zinc/46/58/73/568465873.db2.gz IPPYTMVKHCJULK-OAQYLSRUSA-N 0 0 409.316 6.415 50 30 HKEARN Cc1ccc2c(ccc3c2[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N3)n1 ZINC000000718354 568465897 /nfs/dbraw/zinc/46/58/97/568465897.db2.gz IPPYTMVKHCJULK-NRFANRHFSA-N 0 0 409.316 6.415 50 30 HKEARN C[C@H]1CCc2c(C#N)c(N3C(=O)c4ccc(Oc5ccccc5)cc4C3=O)sc2C1 ZINC000000718452 568465923 /nfs/dbraw/zinc/46/59/23/568465923.db2.gz QQDOGGMVULZBHY-AWEZNQCLSA-N 0 0 414.486 5.337 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(N3C(=O)c4ccc(Oc5ccccc5)cc4C3=O)sc2C1 ZINC000000718454 568465831 /nfs/dbraw/zinc/46/58/31/568465831.db2.gz QQDOGGMVULZBHY-CQSZACIVSA-N 0 0 414.486 5.337 50 30 HKEARN CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(NCCc2c[nH]c3ccccc23)C1 ZINC000000720087 568466615 /nfs/dbraw/zinc/46/66/15/568466615.db2.gz BANSENSAGYJFBS-UHFFFAOYSA-N 0 0 417.578 5.383 50 30 HKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000720334 557069638 /nfs/dbraw/zinc/06/96/38/557069638.db2.gz BZJSVJDFBWBYBZ-GYCJOSAFSA-N 0 0 418.587 6.450 50 30 HKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000720335 557069659 /nfs/dbraw/zinc/06/96/59/557069659.db2.gz BZJSVJDFBWBYBZ-VOIUYBSRSA-N 0 0 418.587 6.450 50 30 HKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000720336 557069669 /nfs/dbraw/zinc/06/96/69/557069669.db2.gz BZJSVJDFBWBYBZ-FYSMJZIKSA-N 0 0 418.587 6.450 50 30 HKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000720337 557069729 /nfs/dbraw/zinc/06/97/29/557069729.db2.gz BZJSVJDFBWBYBZ-UPCLLVRISA-N 0 0 418.587 6.450 50 30 HKEARN Cc1ccc(C)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000000720476 557069712 /nfs/dbraw/zinc/06/97/12/557069712.db2.gz VNYYPZFJRIALTG-NSYGIPOTSA-N 0 0 400.547 6.344 50 30 HKEARN Cc1ccc(C)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000000720477 557069725 /nfs/dbraw/zinc/06/97/25/557069725.db2.gz VNYYPZFJRIALTG-CRICUBBOSA-N 0 0 400.547 6.344 50 30 HKEARN Cc1ccc(C)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000000720478 557069689 /nfs/dbraw/zinc/06/96/89/557069689.db2.gz VNYYPZFJRIALTG-GKVSMKOHSA-N 0 0 400.547 6.344 50 30 HKEARN Cc1ccc(C)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000000720479 557069628 /nfs/dbraw/zinc/06/96/28/557069628.db2.gz VNYYPZFJRIALTG-SSOJOUAXSA-N 0 0 400.547 6.344 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000720490 557069697 /nfs/dbraw/zinc/06/96/97/557069697.db2.gz XMWFGVJVFCPUJJ-IVCQMTBJSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000720491 557069714 /nfs/dbraw/zinc/06/97/14/557069714.db2.gz XMWFGVJVFCPUJJ-PUAOIOHZSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000720492 557069661 /nfs/dbraw/zinc/06/96/61/557069661.db2.gz XMWFGVJVFCPUJJ-LMKMVOKYSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000000720493 557070039 /nfs/dbraw/zinc/07/00/39/557070039.db2.gz XMWFGVJVFCPUJJ-CPJLOUKISA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)s1)Nc1ccccc1N2 ZINC000000720501 557070046 /nfs/dbraw/zinc/07/00/46/557070046.db2.gz HDBDTAOBJSTTCW-GTJPDFRWSA-N 0 0 412.967 6.443 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)s1)Nc1ccccc1N2 ZINC000000720503 557070010 /nfs/dbraw/zinc/07/00/10/557070010.db2.gz HDBDTAOBJSTTCW-XUSGNXJCSA-N 0 0 412.967 6.443 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)s1)Nc1ccccc1N2 ZINC000000720504 557069980 /nfs/dbraw/zinc/06/99/80/557069980.db2.gz HDBDTAOBJSTTCW-QKVFXAPYSA-N 0 0 412.967 6.443 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)s1)Nc1ccccc1N2 ZINC000000720505 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CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000720540 557069958 /nfs/dbraw/zinc/06/99/58/557069958.db2.gz CWMCNCWQQCBBOU-GKVSMKOHSA-N 0 0 415.562 5.794 50 30 HKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000720541 557069994 /nfs/dbraw/zinc/06/99/94/557069994.db2.gz CWMCNCWQQCBBOU-SSOJOUAXSA-N 0 0 415.562 5.794 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000000720546 557069991 /nfs/dbraw/zinc/06/99/91/557069991.db2.gz FQIGHMANSQATEM-ZLOXQWCVSA-N 0 0 424.928 6.520 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000000720547 557069998 /nfs/dbraw/zinc/06/99/98/557069998.db2.gz FQIGHMANSQATEM-JCQPUDPBSA-N 0 0 424.928 6.520 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000000720548 557069964 /nfs/dbraw/zinc/06/99/64/557069964.db2.gz FQIGHMANSQATEM-NPMABZOXSA-N 0 0 424.928 6.520 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 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CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000720742 557070378 /nfs/dbraw/zinc/07/03/78/557070378.db2.gz JPPXPLUMOODMLS-CPJLOUKISA-N 0 0 416.546 6.126 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000720744 557070376 /nfs/dbraw/zinc/07/03/76/557070376.db2.gz JPPXPLUMOODMLS-PUAOIOHZSA-N 0 0 416.546 6.126 50 30 HKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000720745 557070333 /nfs/dbraw/zinc/07/03/33/557070333.db2.gz JPPXPLUMOODMLS-LMKMVOKYSA-N 0 0 416.546 6.126 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000720746 557070324 /nfs/dbraw/zinc/07/03/24/557070324.db2.gz JPPXPLUMOODMLS-IVCQMTBJSA-N 0 0 416.546 6.126 50 30 HKEARN COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 ZINC000000722087 557070855 /nfs/dbraw/zinc/07/08/55/557070855.db2.gz IVLHKYFOQWHBKG-OGLMXYFKSA-N 0 0 421.500 6.006 50 30 HKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000725313 568467375 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413.517 6.167 50 30 HKEARN COc1ccc(OC)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000727627 557073805 /nfs/dbraw/zinc/07/38/05/557073805.db2.gz DSIBDZIFVPZXSW-SANMLTNESA-N 0 0 413.517 6.167 50 30 HKEARN C=C(C)COc1cc2oc(C)c(-c3ccc4c(c3)OCCCO4)c(=O)c2cc1CC ZINC000000728042 568468054 /nfs/dbraw/zinc/46/80/54/568468054.db2.gz RLAUMEUSVLXCCF-UHFFFAOYSA-N 0 0 406.478 5.447 50 30 biogenic HKEARN CC(=O)Oc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000728476 557074174 /nfs/dbraw/zinc/07/41/74/557074174.db2.gz BPTHWEQPIPUWQX-DEOSSOPVSA-N 0 0 411.501 5.966 50 30 HKEARN CC(=O)Oc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000728478 557074161 /nfs/dbraw/zinc/07/41/61/557074161.db2.gz BPTHWEQPIPUWQX-XMMPIXPASA-N 0 0 411.501 5.966 50 30 HKEARN COc1cccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000728606 557074185 /nfs/dbraw/zinc/07/41/85/557074185.db2.gz DYJKHIMBKCKINF-DEOSSOPVSA-N 0 0 413.517 6.058 50 30 HKEARN COc1cccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000728607 557074197 /nfs/dbraw/zinc/07/41/97/557074197.db2.gz DYJKHIMBKCKINF-XMMPIXPASA-N 0 0 413.517 6.058 50 30 HKEARN COc1ccc([C@@H]2Nc3c4ccccc4ccc3C3=C2CC(C)(C)CC3=O)cc1OC ZINC000000729223 557074401 /nfs/dbraw/zinc/07/44/01/557074401.db2.gz FIKDPTJTESVIPF-VWLOTQADSA-N 0 0 413.517 6.167 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 ZINC000000729432 557074461 /nfs/dbraw/zinc/07/44/61/557074461.db2.gz JFDHLSJSCLORCK-PPYUERFYSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc21 ZINC000000729440 557074481 /nfs/dbraw/zinc/07/44/81/557074481.db2.gz SZHDJIIWZSYFIW-LIAVLPADSA-N 0 0 412.489 5.071 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1O ZINC000000729457 557074391 /nfs/dbraw/zinc/07/43/91/557074391.db2.gz FARDGMDQQUQBJK-FATZIPQQSA-N 0 0 418.518 5.442 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1O ZINC000000729458 557074404 /nfs/dbraw/zinc/07/44/04/557074404.db2.gz FARDGMDQQUQBJK-QKFKETGDSA-N 0 0 418.518 5.442 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1O ZINC000000729459 557074420 /nfs/dbraw/zinc/07/44/20/557074420.db2.gz FARDGMDQQUQBJK-PSLXWICFSA-N 0 0 418.518 5.442 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1O ZINC000000729460 557074431 /nfs/dbraw/zinc/07/44/31/557074431.db2.gz FARDGMDQQUQBJK-LFVRLGFBSA-N 0 0 418.518 5.442 50 30 HKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000729496 557074407 /nfs/dbraw/zinc/07/44/07/557074407.db2.gz HJGXXOOEOVECKM-BCHFMIIMSA-N 0 0 414.574 6.851 50 30 HKEARN CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000729497 557074485 /nfs/dbraw/zinc/07/44/85/557074485.db2.gz HJGXXOOEOVECKM-NIYFSFCBSA-N 0 0 414.574 6.851 50 30 HKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000729498 557074467 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O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000000729676 557074759 /nfs/dbraw/zinc/07/47/59/557074759.db2.gz CVMSTRYYZJICQN-NFQMXDRXSA-N 0 0 422.553 6.881 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000000729677 557074811 /nfs/dbraw/zinc/07/48/11/557074811.db2.gz CVMSTRYYZJICQN-DCFHFQCYSA-N 0 0 422.553 6.881 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000000729678 557074753 /nfs/dbraw/zinc/07/47/53/557074753.db2.gz CVMSTRYYZJICQN-CCLHPLFOSA-N 0 0 422.553 6.881 50 30 HKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl ZINC000000729810 522310879 /nfs/dbraw/zinc/31/08/79/522310879.db2.gz FZYGZBJVSRGRSO-UHFFFAOYSA-N 0 0 404.849 5.390 50 30 HKEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000000730247 568468888 /nfs/dbraw/zinc/46/88/88/568468888.db2.gz UOIITCILJGKPKK-UHFFFAOYSA-N 0 0 407.901 5.238 50 30 HKEARN CC1(C)Cc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc2CO1 ZINC000000751894 568470552 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C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000752728 569005998 /nfs/dbraw/zinc/00/59/98/569005998.db2.gz MPBDGESGQYUKOI-UHFFFAOYSA-N 0 0 412.580 5.178 50 30 HKEARN Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)C(=O)CC(C)(C)C3 ZINC000000752738 568470631 /nfs/dbraw/zinc/47/06/31/568470631.db2.gz SYLWLSVFKAFXCL-UHFFFAOYSA-N 0 0 405.501 6.028 50 30 HKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000000753404 557075957 /nfs/dbraw/zinc/07/59/57/557075957.db2.gz ZAIYMYZWUZJENX-AREMUKBSSA-N 0 0 413.517 6.167 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000000753405 557075911 /nfs/dbraw/zinc/07/59/11/557075911.db2.gz ZAIYMYZWUZJENX-SANMLTNESA-N 0 0 413.517 6.167 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000753500 568471608 /nfs/dbraw/zinc/47/16/08/568471608.db2.gz FWBGZDWZQFRPSB-QHCPKHFHSA-N 0 0 419.496 5.173 50 30 HKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 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557078758 /nfs/dbraw/zinc/07/87/58/557078758.db2.gz HKVXNUIWLKKFIC-IQMFZBJNSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000781701 568415323 /nfs/dbraw/zinc/41/53/23/568415323.db2.gz HKVXNUIWLKKFIC-WNSKOXEYSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000781702 557078766 /nfs/dbraw/zinc/07/87/66/557078766.db2.gz HKVXNUIWLKKFIC-NPMXOYFQSA-N 0 0 406.938 6.381 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000000781707 557078772 /nfs/dbraw/zinc/07/87/72/557078772.db2.gz BXBHUJZCRSRZJU-GYCJOSAFSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000000781708 557078791 /nfs/dbraw/zinc/07/87/91/557078791.db2.gz BXBHUJZCRSRZJU-VOIUYBSRSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000000781709 568415294 /nfs/dbraw/zinc/41/52/94/568415294.db2.gz BXBHUJZCRSRZJU-FYSMJZIKSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000000781710 557079179 /nfs/dbraw/zinc/07/91/79/557079179.db2.gz BXBHUJZCRSRZJU-UPCLLVRISA-N 0 0 402.519 5.736 50 30 HKEARN CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000783153 557079125 /nfs/dbraw/zinc/07/91/25/557079125.db2.gz BGOXIWMFJNKKJN-UHFFFAOYSA-N 0 0 412.533 6.004 50 30 HKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000785143 568476931 /nfs/dbraw/zinc/47/69/31/568476931.db2.gz OWJYKYUEOLKMSQ-XMMPIXPASA-N 0 0 400.478 5.259 50 30 HKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000785145 568476942 /nfs/dbraw/zinc/47/69/42/568476942.db2.gz OWJYKYUEOLKMSQ-DEOSSOPVSA-N 0 0 400.478 5.259 50 30 HKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000000786751 568476612 /nfs/dbraw/zinc/47/66/12/568476612.db2.gz YMJFZNFWVWDYAH-UHFFFAOYSA-N 0 0 423.553 5.067 50 30 HKEARN N#Cc1c2c(c(Nc3ccc(Br)cc3)n3c4ccccc4nc13)CCC2 ZINC000000787988 568474683 /nfs/dbraw/zinc/47/46/83/568474683.db2.gz BPPNOGVWDALNRX-UHFFFAOYSA-N 0 0 403.283 5.354 50 30 HKEARN O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccccc1 ZINC000000788059 526966366 /nfs/dbraw/zinc/96/63/66/526966366.db2.gz HFBBVQOLPBNNLW-UHFFFAOYSA-N 0 0 414.461 5.213 50 30 HKEARN Cc1sc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000792565 557081894 /nfs/dbraw/zinc/08/18/94/557081894.db2.gz CEXAOWCERAVDJS-UHFFFAOYSA-N 0 0 415.511 5.365 50 30 HKEARN COc1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000793765 557082170 /nfs/dbraw/zinc/08/21/70/557082170.db2.gz NXEXNWOBXGNXIO-AREMUKBSSA-N 0 0 413.517 6.167 50 30 HKEARN COc1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000793766 557082230 /nfs/dbraw/zinc/08/22/30/557082230.db2.gz NXEXNWOBXGNXIO-SANMLTNESA-N 0 0 413.517 6.167 50 30 HKEARN CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000796458 568482164 /nfs/dbraw/zinc/48/21/64/568482164.db2.gz CHZUDJNZPMMROC-DEOSSOPVSA-N 0 0 406.526 5.630 50 30 HKEARN CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000796460 568482151 /nfs/dbraw/zinc/48/21/51/568482151.db2.gz CHZUDJNZPMMROC-XMMPIXPASA-N 0 0 406.526 5.630 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c(Cl)cccc1Cl ZINC000000797687 557083677 /nfs/dbraw/zinc/08/36/77/557083677.db2.gz AYBBSHDLJXIJFT-UHFFFAOYSA-N 0 0 418.364 5.967 50 30 HKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O ZINC000000798811 568483125 /nfs/dbraw/zinc/48/31/25/568483125.db2.gz ZGCYWJZKMKUDTL-FSJBWODESA-N 0 0 423.266 5.722 50 30 HKEARN N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000000799207 568483684 /nfs/dbraw/zinc/48/36/84/568483684.db2.gz DLABBALACRUBGJ-UHFFFAOYSA-N 0 0 421.425 5.901 50 30 HKEARN N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000000799208 568478598 /nfs/dbraw/zinc/47/85/98/568478598.db2.gz MAZNUCPMZDEXFT-UHFFFAOYSA-N 0 0 415.396 5.840 50 30 HKEARN N#Cc1c(SCc2ccccc2[N+](=O)[O-])nc(-c2ccccc2)cc1C(F)(F)F ZINC000000799210 568483621 /nfs/dbraw/zinc/48/36/21/568483621.db2.gz SRQIPVUZRTWCNN-UHFFFAOYSA-N 0 0 415.396 5.840 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1coc2ccc(Cl)cc2c1=O ZINC000000801152 520265598 /nfs/dbraw/zinc/26/55/98/520265598.db2.gz JLXHPDBQOPSFEY-JOCHJYFZSA-N 0 0 420.896 5.668 50 30 biogenic HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1coc2ccc(Cl)cc2c1=O ZINC000000801153 559286542 /nfs/dbraw/zinc/28/65/42/559286542.db2.gz JLXHPDBQOPSFEY-QFIPXVFZSA-N 0 0 420.896 5.668 50 30 biogenic HKEARN CC(C)NC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000000803847 568484364 /nfs/dbraw/zinc/48/43/64/568484364.db2.gz WEYPUFUCBFSMAB-UHFFFAOYSA-N 0 0 411.527 5.105 50 30 HKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2ccco2)cc1C(F)(F)F ZINC000000804045 568485817 /nfs/dbraw/zinc/48/58/17/568485817.db2.gz ZXAIAHDQZHWTIY-UHFFFAOYSA-N 0 0 418.396 5.068 50 30 HKEARN COC(=O)COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000804368 557085857 /nfs/dbraw/zinc/08/58/57/557085857.db2.gz IPWLWGBPADHXPS-SANMLTNESA-N 0 0 413.473 5.065 50 30 HKEARN COC(=O)COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000804369 557085927 /nfs/dbraw/zinc/08/59/27/557085927.db2.gz IPWLWGBPADHXPS-AREMUKBSSA-N 0 0 413.473 5.065 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)c(Cl)cc1Cl ZINC000000809163 557087117 /nfs/dbraw/zinc/08/71/17/557087117.db2.gz NYHUXRGVEFREFS-UFFVCSGVSA-N 0 0 401.209 5.560 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc2ccccc2c1 ZINC000000809896 557087593 /nfs/dbraw/zinc/08/75/93/557087593.db2.gz NFHCERYAURAKSQ-HSZRJFAPSA-N 0 0 405.497 5.777 50 30 HKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000812838 557088118 /nfs/dbraw/zinc/08/81/18/557088118.db2.gz TXGPEJRELXGEPD-NGOKVRLYSA-N 0 0 424.544 6.453 50 30 HKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000000812839 557088131 /nfs/dbraw/zinc/08/81/31/557088131.db2.gz TXGPEJRELXGEPD-PIIWDFAUSA-N 0 0 424.544 6.453 50 30 HKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000812840 557088081 /nfs/dbraw/zinc/08/80/81/557088081.db2.gz TXGPEJRELXGEPD-MMTVBGGISA-N 0 0 424.544 6.453 50 30 HKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000812841 557088086 /nfs/dbraw/zinc/08/80/86/557088086.db2.gz TXGPEJRELXGEPD-WTYVLRPYSA-N 0 0 424.544 6.453 50 30 HKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000812870 557088079 /nfs/dbraw/zinc/08/80/79/557088079.db2.gz OHQHSCVSHANTHS-DWXRJYCRSA-N 0 0 412.489 5.380 50 30 HKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000812871 557088076 /nfs/dbraw/zinc/08/80/76/557088076.db2.gz OHQHSCVSHANTHS-WXTAPIANSA-N 0 0 412.489 5.380 50 30 HKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000812872 557088067 /nfs/dbraw/zinc/08/80/67/557088067.db2.gz OHQHSCVSHANTHS-QYBDOPJKSA-N 0 0 412.489 5.380 50 30 HKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000812873 557088138 /nfs/dbraw/zinc/08/81/38/557088138.db2.gz OHQHSCVSHANTHS-HFJWLAOPSA-N 0 0 412.489 5.380 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000812934 557088474 /nfs/dbraw/zinc/08/84/74/557088474.db2.gz LWCLVCXZIGQUJM-HRFSGMKKSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000812935 557088493 /nfs/dbraw/zinc/08/84/93/557088493.db2.gz LWCLVCXZIGQUJM-NFQMXDRXSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000812936 557088476 /nfs/dbraw/zinc/08/84/76/557088476.db2.gz LWCLVCXZIGQUJM-DCFHFQCYSA-N 0 0 410.517 6.065 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000812937 557088518 /nfs/dbraw/zinc/08/85/18/557088518.db2.gz LWCLVCXZIGQUJM-CCLHPLFOSA-N 0 0 410.517 6.065 50 30 HKEARN Cc1ccc2cc3c(N)c(C(=O)Nc4sc5c(c4C#N)CCCC5)sc3nc2c1 ZINC000000812948 568493833 /nfs/dbraw/zinc/49/38/33/568493833.db2.gz BUYCQOOGYMKHPR-UHFFFAOYSA-N 0 0 418.547 5.404 50 30 HKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000815779 557090217 /nfs/dbraw/zinc/09/02/17/557090217.db2.gz LXHWCUJKZSFGBD-NRFANRHFSA-N 0 0 412.917 5.666 50 30 HKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000815780 557090128 /nfs/dbraw/zinc/09/01/28/557090128.db2.gz LXHWCUJKZSFGBD-OAQYLSRUSA-N 0 0 412.917 5.666 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)c1 ZINC000000815812 557090185 /nfs/dbraw/zinc/09/01/85/557090185.db2.gz DSMBAVFCSDGHMX-NSYGIPOTSA-N 0 0 416.546 6.045 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)c1 ZINC000000815813 557090283 /nfs/dbraw/zinc/09/02/83/557090283.db2.gz DSMBAVFCSDGHMX-CRICUBBOSA-N 0 0 416.546 6.045 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)c1 ZINC000000815814 557090263 /nfs/dbraw/zinc/09/02/63/557090263.db2.gz DSMBAVFCSDGHMX-GKVSMKOHSA-N 0 0 416.546 6.045 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)c1 ZINC000000815815 557090278 /nfs/dbraw/zinc/09/02/78/557090278.db2.gz DSMBAVFCSDGHMX-SSOJOUAXSA-N 0 0 416.546 6.045 50 30 HKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000815822 557090136 /nfs/dbraw/zinc/09/01/36/557090136.db2.gz SJOZXNWNNQBJCH-MYYSRTQBSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000815823 557090211 /nfs/dbraw/zinc/09/02/11/557090211.db2.gz SJOZXNWNNQBJCH-OYLFLEFRSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000815824 557090146 /nfs/dbraw/zinc/09/01/46/557090146.db2.gz SJOZXNWNNQBJCH-OWJWWREXSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000815825 557090513 /nfs/dbraw/zinc/09/05/13/557090513.db2.gz SJOZXNWNNQBJCH-IZHWHUGBSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816086 557090766 /nfs/dbraw/zinc/09/07/66/557090766.db2.gz ZKTZHQNVRCFIQU-QFIPXVFZSA-N 0 0 409.551 5.626 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000816087 557090811 /nfs/dbraw/zinc/09/08/11/557090811.db2.gz ZKTZHQNVRCFIQU-JOCHJYFZSA-N 0 0 409.551 5.626 50 30 HKEARN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000817947 568495673 /nfs/dbraw/zinc/49/56/73/568495673.db2.gz VNIKSDPLWLNDCR-HSZRJFAPSA-N 0 0 420.597 6.346 50 30 HKEARN CC(C)(C)OC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000000817979 568490148 /nfs/dbraw/zinc/49/01/48/568490148.db2.gz DSHUVGQLTIDTNV-UHFFFAOYSA-N 0 0 400.447 5.134 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000820239 557092061 /nfs/dbraw/zinc/09/20/61/557092061.db2.gz OIIMRRLUCKJVKP-DEOSSOPVSA-N 0 0 413.517 6.058 50 30 HKEARN COc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000820241 557092046 /nfs/dbraw/zinc/09/20/46/557092046.db2.gz OIIMRRLUCKJVKP-XMMPIXPASA-N 0 0 413.517 6.058 50 30 HKEARN COc1ccc(OC)c([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000820246 557091959 /nfs/dbraw/zinc/09/19/59/557091959.db2.gz MAZDGDJUZHEVKL-VWLOTQADSA-N 0 0 413.517 6.058 50 30 HKEARN COc1ccc(OC)c([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000820249 557092073 /nfs/dbraw/zinc/09/20/73/557092073.db2.gz MAZDGDJUZHEVKL-RUZDIDTESA-N 0 0 413.517 6.058 50 30 HKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000000820463 568498219 /nfs/dbraw/zinc/49/82/19/568498219.db2.gz JPUYXWKZCAWBKO-FSJBWODESA-N 0 0 422.828 5.028 50 30 HKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1O ZINC000000820468 568498199 /nfs/dbraw/zinc/49/81/99/568498199.db2.gz JQLHWTABDNMADY-WYMPLXKRSA-N 0 0 412.276 5.773 50 30 HKEARN COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC ZINC000000821026 568498311 /nfs/dbraw/zinc/49/83/11/568498311.db2.gz MYECQEXMYQWWPG-AFUMVMLFSA-N 0 0 405.885 5.506 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000000821763 568498438 /nfs/dbraw/zinc/49/84/38/568498438.db2.gz YBUANEDAIXSCST-WSDLNYQXSA-N 0 0 422.238 5.916 50 30 HKEARN COc1ccc(O)c(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000000822269 568498600 /nfs/dbraw/zinc/49/86/00/568498600.db2.gz GLUQHJVNUPUPOR-BHGWPJFGSA-N 0 0 412.276 6.002 50 30 HKEARN c1ccc2c(c1)ccc(OC[C@H]1CO1)c2Cc1c(OC[C@H]2CO2)ccc2ccccc21 ZINC000000824797 557093507 /nfs/dbraw/zinc/09/35/07/557093507.db2.gz PVHPHJYSXKSCKD-NHCUHLMSSA-N 0 0 412.485 5.139 50 30 HKEARN c1ccc2c(c1)ccc(OC[C@@H]1CO1)c2Cc1c(OC[C@@H]2CO2)ccc2ccccc21 ZINC000000824799 557093498 /nfs/dbraw/zinc/09/34/98/557093498.db2.gz PVHPHJYSXKSCKD-SFTDATJTSA-N 0 0 412.485 5.139 50 30 HKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O ZINC000000826383 568499132 /nfs/dbraw/zinc/49/91/32/568499132.db2.gz FWXJJUCJLFAWQI-MFKUBSTISA-N 0 0 401.466 5.416 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc([N+](=O)[O-])s1 ZINC000000827456 557094580 /nfs/dbraw/zinc/09/45/80/557094580.db2.gz IVGOMZYTBZEOJX-UHFFFAOYSA-N 0 0 401.484 5.057 50 30 HKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000828118 557094923 /nfs/dbraw/zinc/09/49/23/557094923.db2.gz SQWUGFFYQLVIPA-UHFFFAOYSA-N 0 0 424.537 5.494 50 30 HKEARN C[C@@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000000828713 568500200 /nfs/dbraw/zinc/50/02/00/568500200.db2.gz HMDLIIOUGMMHGE-LFPIHBKWSA-N 0 0 418.334 6.522 50 30 HKEARN C[C@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000000828714 568500280 /nfs/dbraw/zinc/50/02/80/568500280.db2.gz HMDLIIOUGMMHGE-JBEBIEQOSA-N 0 0 418.334 6.522 50 30 HKEARN C[C@@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1 ZINC000000828715 568500272 /nfs/dbraw/zinc/50/02/72/568500272.db2.gz HMDLIIOUGMMHGE-BSEYFRJRSA-N 0 0 418.334 6.522 50 30 HKEARN C[C@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1 ZINC000000828716 568500226 /nfs/dbraw/zinc/50/02/26/568500226.db2.gz HMDLIIOUGMMHGE-SHACYNPGSA-N 0 0 418.334 6.522 50 30 HKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000828727 568500289 /nfs/dbraw/zinc/50/02/89/568500289.db2.gz FWMIMRBXEQNCNO-VWLOTQADSA-N 0 0 415.489 5.539 50 30 HKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000828728 568500297 /nfs/dbraw/zinc/50/02/97/568500297.db2.gz FWMIMRBXEQNCNO-RUZDIDTESA-N 0 0 415.489 5.539 50 30 HKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(OC)c1O ZINC000000828733 568500305 /nfs/dbraw/zinc/50/03/05/568500305.db2.gz NHGZHEXKYGPITL-DEOSSOPVSA-N 0 0 401.462 5.236 50 30 HKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(OC)c1O ZINC000000828734 568500211 /nfs/dbraw/zinc/50/02/11/568500211.db2.gz NHGZHEXKYGPITL-XMMPIXPASA-N 0 0 401.462 5.236 50 30 HKEARN N#Cc1c(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)sc2c1CCCC2 ZINC000000832784 526517694 /nfs/dbraw/zinc/51/76/94/526517694.db2.gz AMGVQKCKPWWSLP-CVKSISIWSA-N 0 0 415.518 5.267 50 30 HKEARN CC(=O)Nc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000832967 557095715 /nfs/dbraw/zinc/09/57/15/557095715.db2.gz ANLPPGWAYMMQSS-SANMLTNESA-N 0 0 410.517 6.108 50 30 HKEARN CC(=O)Nc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000832968 557095730 /nfs/dbraw/zinc/09/57/30/557095730.db2.gz ANLPPGWAYMMQSS-AREMUKBSSA-N 0 0 410.517 6.108 50 30 HKEARN Oc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(O)c2O)c1O ZINC000000833208 568511870 /nfs/dbraw/zinc/51/18/70/568511870.db2.gz AVBUPRSSBHWJCS-DPCVLPDWSA-N 0 0 424.456 5.677 50 30 HKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000833253 568511839 /nfs/dbraw/zinc/51/18/39/568511839.db2.gz FTEYFJFYAZGPOP-UHFFFAOYSA-N 0 0 410.510 5.104 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000000834892 569006084 /nfs/dbraw/zinc/00/60/84/569006084.db2.gz FESMKWTWWYJDCM-UHFFFAOYSA-N 0 0 421.566 5.412 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000837073 557096758 /nfs/dbraw/zinc/09/67/58/557096758.db2.gz DSNNFEGXISXYNQ-XMMPIXPASA-N 0 0 415.533 5.342 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000837077 557096881 /nfs/dbraw/zinc/09/68/81/557096881.db2.gz DSNNFEGXISXYNQ-DEOSSOPVSA-N 0 0 415.533 5.342 50 30 HKEARN CC1(C)CC2=C(C(=O)C1)[C@@H](c1cccc3ccccc31)C1(O2)C(=O)CC(C)(C)CC1=O ZINC000000837279 557096798 /nfs/dbraw/zinc/09/67/98/557096798.db2.gz PRKGYLKHRIQVFN-XMMPIXPASA-N 0 0 416.517 5.294 50 30 HKEARN CC1(C)CC2=C(C(=O)C1)[C@H](c1cccc3ccccc31)C1(O2)C(=O)CC(C)(C)CC1=O ZINC000000837280 557096865 /nfs/dbraw/zinc/09/68/65/557096865.db2.gz PRKGYLKHRIQVFN-DEOSSOPVSA-N 0 0 416.517 5.294 50 30 HKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc3c2CCCC3)o1 ZINC000000841851 568614946 /nfs/dbraw/zinc/61/49/46/568614946.db2.gz JZWRKVKXHAGLFJ-UHFFFAOYSA-N 0 0 422.937 6.029 50 30 HKEARN N#Cc1c(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(Br)cc1 ZINC000000842730 568691479 /nfs/dbraw/zinc/69/14/79/568691479.db2.gz WYYDGLWWSPCHRR-UHFFFAOYSA-N 0 0 419.238 5.017 50 30 HKEARN N#Cc1c(N)c(C#N)c(-c2cccc([N+](=O)[O-])c2)cc1-c1ccc(Br)cc1 ZINC000000842731 568530339 /nfs/dbraw/zinc/53/03/39/568530339.db2.gz NTAIKGAIPFZQTG-UHFFFAOYSA-N 0 0 419.238 5.017 50 30 HKEARN C(=Nc1ccc(-c2nc3cc(N=Cc4ccccn4)ccc3[nH]2)cc1)c1ccccn1 ZINC000000842884 568691954 /nfs/dbraw/zinc/69/19/54/568691954.db2.gz IMOCQSNVDFYADR-LPHFKDDMSA-N 0 0 402.461 5.521 50 30 HKEARN CCN(C(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C)C1CCCCC1 ZINC000000844183 568530663 /nfs/dbraw/zinc/53/06/63/568530663.db2.gz VVRRYHIGZSKKCE-UHFFFAOYSA-N 0 0 413.518 5.114 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000844334 557098643 /nfs/dbraw/zinc/09/86/43/557098643.db2.gz SJDLDIRFIIVHKS-RUZDIDTESA-N 0 0 415.533 5.003 50 30 HKEARN CCc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000844335 557098618 /nfs/dbraw/zinc/09/86/18/557098618.db2.gz SJDLDIRFIIVHKS-VWLOTQADSA-N 0 0 415.533 5.003 50 30 HKEARN COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC ZINC000000846699 568710708 /nfs/dbraw/zinc/71/07/08/568710708.db2.gz NMPDXYBFWKGUIG-UHFFFAOYSA-N 0 0 424.456 5.755 50 30 HKEARN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C(C)C)cc1Cl ZINC000000846700 568550096 /nfs/dbraw/zinc/55/00/96/568550096.db2.gz SSZGSYLSYZALIG-UHFFFAOYSA-N 0 0 402.947 5.601 50 30 HKEARN COc1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O ZINC000000847900 568710824 /nfs/dbraw/zinc/71/08/24/568710824.db2.gz DFKYYTFCXMSRBE-FSJBWODESA-N 0 0 423.266 5.722 50 30 HKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000848132 557100071 /nfs/dbraw/zinc/10/00/71/557100071.db2.gz QMNSLIAWJHUJJV-HSZRJFAPSA-N 0 0 423.553 5.175 50 30 HKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000848133 557100144 /nfs/dbraw/zinc/10/01/44/557100144.db2.gz QMNSLIAWJHUJJV-QHCPKHFHSA-N 0 0 423.553 5.175 50 30 HKEARN Cc1cccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)c1 ZINC000000850140 568712033 /nfs/dbraw/zinc/71/20/33/568712033.db2.gz WGNFAZWBRIQBTF-UHFFFAOYSA-N 0 0 419.575 5.600 50 30 HKEARN N#Cc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000000850558 568711436 /nfs/dbraw/zinc/71/14/36/568711436.db2.gz PFCRPSJJWFMOSQ-UHFFFAOYSA-N 0 0 416.436 6.246 50 30 HKEARN C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000000851671 568712394 /nfs/dbraw/zinc/71/23/94/568712394.db2.gz LOHLSAKFWNYSIE-VCJZWJMISA-N 0 0 413.852 6.016 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000000851673 568712266 /nfs/dbraw/zinc/71/22/66/568712266.db2.gz LOHLSAKFWNYSIE-CFLRLNCXSA-N 0 0 413.852 6.016 50 30 HKEARN C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2cccc(Cl)c2)S1 ZINC000000851675 568712345 /nfs/dbraw/zinc/71/23/45/568712345.db2.gz MIKBGABRKZFYTP-VCJZWJMISA-N 0 0 413.852 6.016 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2cccc(Cl)c2)S1 ZINC000000851677 568712399 /nfs/dbraw/zinc/71/23/99/568712399.db2.gz MIKBGABRKZFYTP-CFLRLNCXSA-N 0 0 413.852 6.016 50 30 HKEARN COc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000853126 557101681 /nfs/dbraw/zinc/10/16/81/557101681.db2.gz JYTPXJBJEOPACG-DEOSSOPVSA-N 0 0 413.517 6.058 50 30 HKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000853127 557101610 /nfs/dbraw/zinc/10/16/10/557101610.db2.gz JYTPXJBJEOPACG-XMMPIXPASA-N 0 0 413.517 6.058 50 30 HKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000853773 557101956 /nfs/dbraw/zinc/10/19/56/557101956.db2.gz IUMIDXWISZLMOC-HSZRJFAPSA-N 0 0 424.585 5.088 50 30 HKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000853774 557101881 /nfs/dbraw/zinc/10/18/81/557101881.db2.gz IUMIDXWISZLMOC-QHCPKHFHSA-N 0 0 424.585 5.088 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Cl)cc1Cl ZINC000000854369 557102260 /nfs/dbraw/zinc/10/22/60/557102260.db2.gz FLNHXIZNFPNIRI-TZIWHRDSSA-N 0 0 424.327 6.036 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000854415 557102238 /nfs/dbraw/zinc/10/22/38/557102238.db2.gz UHSLBYVSVQRGIY-VWLOTQADSA-N 0 0 412.489 6.366 50 30 HKEARN Cc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000854416 557102125 /nfs/dbraw/zinc/10/21/25/557102125.db2.gz UHSLBYVSVQRGIY-RUZDIDTESA-N 0 0 412.489 6.366 50 30 HKEARN Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000854417 557102143 /nfs/dbraw/zinc/10/21/43/557102143.db2.gz VBOOPXBRHWARMV-UHFFFAOYSA-N 0 0 409.482 5.303 50 30 HKEARN Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000855910 557102744 /nfs/dbraw/zinc/10/27/44/557102744.db2.gz GTEMFJHQNRZEFW-WMAQNELBSA-N 0 0 407.461 5.979 50 30 HKEARN Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000855912 557102710 /nfs/dbraw/zinc/10/27/10/557102710.db2.gz GTEMFJHQNRZEFW-WLDLSUHYSA-N 0 0 407.461 5.979 50 30 HKEARN Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000855914 568712873 /nfs/dbraw/zinc/71/28/73/568712873.db2.gz OPLRYPZQTLAJOR-PVFQWDOOSA-N 0 0 408.354 6.267 50 30 HKEARN Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000855916 568712942 /nfs/dbraw/zinc/71/29/42/568712942.db2.gz OPLRYPZQTLAJOR-NTBIESDESA-N 0 0 408.354 6.267 50 30 HKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1 ZINC000000855917 568712866 /nfs/dbraw/zinc/71/28/66/568712866.db2.gz NPFSSFGNXNPELV-BUUZQLDUSA-N 0 0 423.369 5.716 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1 ZINC000000855919 568712960 /nfs/dbraw/zinc/71/29/60/568712960.db2.gz NPFSSFGNXNPELV-JLEISICNSA-N 0 0 423.369 5.716 50 30 HKEARN CSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(Cl)cc2)c1C#N ZINC000000856101 568713246 /nfs/dbraw/zinc/71/32/46/568713246.db2.gz SJJGYMUGKWTGQQ-UHFFFAOYSA-N 0 0 407.926 5.865 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000000856115 568711618 /nfs/dbraw/zinc/71/16/18/568711618.db2.gz CWIJPLGOWSAUSF-VIFPVBQESA-N 0 0 421.374 6.518 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000000856116 568711579 /nfs/dbraw/zinc/71/15/79/568711579.db2.gz CWIJPLGOWSAUSF-SECBINFHSA-N 0 0 421.374 6.518 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 ZINC000000856575 557102707 /nfs/dbraw/zinc/10/27/07/557102707.db2.gz PCJIDTNRXASGRI-MRDQGFSESA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 ZINC000000856576 557102760 /nfs/dbraw/zinc/10/27/60/557102760.db2.gz PCJIDTNRXASGRI-WGDIFIGCSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 ZINC000000856577 557102811 /nfs/dbraw/zinc/10/28/11/557102811.db2.gz PCJIDTNRXASGRI-QLXKLKPCSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 ZINC000000856578 557102843 /nfs/dbraw/zinc/10/28/43/557102843.db2.gz PCJIDTNRXASGRI-QUGAMOGWSA-N 0 0 414.480 5.814 50 30 HKEARN Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000000856587 557102782 /nfs/dbraw/zinc/10/27/82/557102782.db2.gz ICLRMAQXZDTFSI-QHCPKHFHSA-N 0 0 400.478 5.323 50 30 biogenic HKEARN Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000000856588 557102742 /nfs/dbraw/zinc/10/27/42/557102742.db2.gz ICLRMAQXZDTFSI-HSZRJFAPSA-N 0 0 400.478 5.323 50 30 biogenic HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000856589 568713234 /nfs/dbraw/zinc/71/32/34/568713234.db2.gz QBSJFKJZZFWLNK-MWTRTKDXSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000856590 568713182 /nfs/dbraw/zinc/71/31/82/568713182.db2.gz QBSJFKJZZFWLNK-WAIKUNEKSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000000856591 568713118 /nfs/dbraw/zinc/71/31/18/568713118.db2.gz QBSJFKJZZFWLNK-HJPURHCSSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000000856592 568713222 /nfs/dbraw/zinc/71/32/22/568713222.db2.gz QBSJFKJZZFWLNK-QMHKHESXSA-N 0 0 406.938 6.381 50 30 HKEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 ZINC000000856647 557103046 /nfs/dbraw/zinc/10/30/46/557103046.db2.gz PDDQBLKYJTYKRP-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1 ZINC000000856648 557102999 /nfs/dbraw/zinc/10/29/99/557102999.db2.gz PDDQBLKYJTYKRP-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1[C@@H]1CC=CCC1)CCC2 ZINC000000859218 568713391 /nfs/dbraw/zinc/71/33/91/568713391.db2.gz DVKJGVXAUTXLCI-MRXNPFEDSA-N 0 0 408.954 5.894 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1[C@H]1CC=CCC1)CCC2 ZINC000000859220 568713496 /nfs/dbraw/zinc/71/34/96/568713496.db2.gz DVKJGVXAUTXLCI-INIZCTEOSA-N 0 0 408.954 5.894 50 30 HKEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1)CCCCC2 ZINC000000860545 568714399 /nfs/dbraw/zinc/71/43/99/568714399.db2.gz UKURBAOFWUKQLA-UHFFFAOYSA-N 0 0 406.338 5.260 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000000861147 557103948 /nfs/dbraw/zinc/10/39/48/557103948.db2.gz GNRKNYDJNQQOEG-CMJOXMDJSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000861148 557103926 /nfs/dbraw/zinc/10/39/26/557103926.db2.gz GNRKNYDJNQQOEG-IQMFZBJNSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccs1)Nc1ccccc1N2 ZINC000000861149 557103930 /nfs/dbraw/zinc/10/39/30/557103930.db2.gz GNRKNYDJNQQOEG-WNSKOXEYSA-N 0 0 406.938 6.381 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccs1)Nc1ccccc1N2 ZINC000000861150 557103932 /nfs/dbraw/zinc/10/39/32/557103932.db2.gz GNRKNYDJNQQOEG-NPMXOYFQSA-N 0 0 406.938 6.381 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl ZINC000000864696 568722085 /nfs/dbraw/zinc/72/20/85/568722085.db2.gz PWPKAPIQGQTXGX-UHFFFAOYSA-N 0 0 419.348 6.394 50 30 HKEARN Cc1ccccc1-c1nc2cc(/N=C/c3cc(Br)ccc3O)ccc2o1 ZINC000000864839 568722341 /nfs/dbraw/zinc/72/23/41/568722341.db2.gz DPTSNODHCXUMQH-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc(F)cc1)N2 ZINC000000864941 557105233 /nfs/dbraw/zinc/10/52/33/557105233.db2.gz BJEJFVNRCOYVRC-RUZDIDTESA-N 0 0 412.464 5.643 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc(F)cc1)N2 ZINC000000864942 557105163 /nfs/dbraw/zinc/10/51/63/557105163.db2.gz BJEJFVNRCOYVRC-VWLOTQADSA-N 0 0 412.464 5.643 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccnc1 ZINC000000864949 557105150 /nfs/dbraw/zinc/10/51/50/557105150.db2.gz GVCXMFFQZVQJOC-RUZDIDTESA-N 0 0 423.516 5.535 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccnc1 ZINC000000864950 557105223 /nfs/dbraw/zinc/10/52/23/557105223.db2.gz GVCXMFFQZVQJOC-VWLOTQADSA-N 0 0 423.516 5.535 50 30 HKEARN COc1ccc(OC)c([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000000867273 557106581 /nfs/dbraw/zinc/10/65/81/557106581.db2.gz XCUUYYPTQOBOMQ-DEOSSOPVSA-N 0 0 401.487 5.570 50 30 biogenic HKEARN COc1ccc(OC)c([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000000867274 557106560 /nfs/dbraw/zinc/10/65/60/557106560.db2.gz XCUUYYPTQOBOMQ-XMMPIXPASA-N 0 0 401.487 5.570 50 30 biogenic HKEARN CCOc1ccc(-c2nc3cc(/N=C/c4cccc(OCC)c4O)ccc3o2)cc1 ZINC000000868969 557106539 /nfs/dbraw/zinc/10/65/39/557106539.db2.gz XLDCNNADZIVKSP-MFKUBSTISA-N 0 0 402.450 5.748 50 30 HKEARN COC(=O)c1ccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2OC)cc1 ZINC000000868973 557106575 /nfs/dbraw/zinc/10/65/75/557106575.db2.gz AKBDNBRORQFEQQ-AFUMVMLFSA-N 0 0 400.434 5.349 50 30 biogenic HKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1c(O)ccc2ccccc21 ZINC000000868975 568725343 /nfs/dbraw/zinc/72/53/43/568725343.db2.gz BFBHBBWVGKSDFR-JFLMPSFJSA-N 0 0 408.457 6.421 50 30 biogenic HKEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)N1CCCCC1 ZINC000000871954 568730347 /nfs/dbraw/zinc/73/03/47/568730347.db2.gz DHBKTXFVNRHOAZ-UHFFFAOYSA-N 0 0 422.337 5.113 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000000872418 568730647 /nfs/dbraw/zinc/73/06/47/568730647.db2.gz CGWGUVHLGXHQFH-SANMLTNESA-N 0 0 424.500 5.512 50 30 HKEARN COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000000872419 568730477 /nfs/dbraw/zinc/73/04/77/568730477.db2.gz CGWGUVHLGXHQFH-AREMUKBSSA-N 0 0 424.500 5.512 50 30 HKEARN COc1cccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1 ZINC000000872420 524131016 /nfs/dbraw/zinc/13/10/16/524131016.db2.gz SSFAXHSCFBBTRM-SANMLTNESA-N 0 0 424.500 5.512 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccs1)N2 ZINC000000872424 526797973 /nfs/dbraw/zinc/79/79/73/526797973.db2.gz ZIVLAWXHXAKXPX-HSZRJFAPSA-N 0 0 400.503 5.565 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccs1)N2 ZINC000000872425 557107344 /nfs/dbraw/zinc/10/73/44/557107344.db2.gz ZIVLAWXHXAKXPX-QHCPKHFHSA-N 0 0 400.503 5.565 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000000872430 568730594 /nfs/dbraw/zinc/73/05/94/568730594.db2.gz SJOSEKLVBRADKZ-RXFWQSSRSA-N 0 0 409.489 5.002 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000000872431 568730547 /nfs/dbraw/zinc/73/05/47/568730547.db2.gz SJOSEKLVBRADKZ-FNZWTVRRSA-N 0 0 409.489 5.002 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000000872432 568730491 /nfs/dbraw/zinc/73/04/91/568730491.db2.gz SJOSEKLVBRADKZ-FQRUVTKNSA-N 0 0 409.489 5.002 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000000872433 568730455 /nfs/dbraw/zinc/73/04/55/568730455.db2.gz SJOSEKLVBRADKZ-IBVKSMDESA-N 0 0 409.489 5.002 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000000872442 557107257 /nfs/dbraw/zinc/10/72/57/557107257.db2.gz GWIFMXIJQVIINZ-CCLHPLFOSA-N 0 0 423.516 5.392 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000000872443 557107348 /nfs/dbraw/zinc/10/73/48/557107348.db2.gz GWIFMXIJQVIINZ-DCFHFQCYSA-N 0 0 423.516 5.392 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000000872444 557107383 /nfs/dbraw/zinc/10/73/83/557107383.db2.gz GWIFMXIJQVIINZ-NFQMXDRXSA-N 0 0 423.516 5.392 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000000872445 557107337 /nfs/dbraw/zinc/10/73/37/557107337.db2.gz GWIFMXIJQVIINZ-HRFSGMKKSA-N 0 0 423.516 5.392 50 30 HKEARN Cc1[nH]c(=S)c(C#N)c(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1 ZINC000000874761 568732930 /nfs/dbraw/zinc/73/29/30/568732930.db2.gz VRJNSBNIRWRSGX-UHFFFAOYSA-N 0 0 424.323 5.606 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000000878287 518190916 /nfs/dbraw/zinc/19/09/16/518190916.db2.gz TZDPBRQPCOWHGN-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000000878294 568734441 /nfs/dbraw/zinc/73/44/41/568734441.db2.gz KGIQJXFNNZAALO-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000000878298 568734488 /nfs/dbraw/zinc/73/44/88/568734488.db2.gz KGIQJXFNNZAALO-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN COc1ccc(Br)cc1/C=N/c1cccc(-c2cn3ccccc3n2)c1 ZINC000000880828 568737248 /nfs/dbraw/zinc/73/72/48/568737248.db2.gz SEBZCMMVXDSCGX-YDZHTSKRSA-N 0 0 406.283 5.523 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 ZINC000000883166 557110216 /nfs/dbraw/zinc/11/02/16/557110216.db2.gz DHFLWFZCQYKTDO-NGOKVRLYSA-N 0 0 424.544 6.292 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 ZINC000000883168 557110200 /nfs/dbraw/zinc/11/02/00/557110200.db2.gz DHFLWFZCQYKTDO-PIIWDFAUSA-N 0 0 424.544 6.292 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 ZINC000000883170 557110224 /nfs/dbraw/zinc/11/02/24/557110224.db2.gz DHFLWFZCQYKTDO-MMTVBGGISA-N 0 0 424.544 6.292 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 ZINC000000883172 557110204 /nfs/dbraw/zinc/11/02/04/557110204.db2.gz DHFLWFZCQYKTDO-WTYVLRPYSA-N 0 0 424.544 6.292 50 30 HKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O ZINC000000883191 557110299 /nfs/dbraw/zinc/11/02/99/557110299.db2.gz VISZTGLDVPKYOK-DWXRJYCRSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O ZINC000000883194 525430963 /nfs/dbraw/zinc/43/09/63/525430963.db2.gz VISZTGLDVPKYOK-WXTAPIANSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O ZINC000000883197 557110270 /nfs/dbraw/zinc/11/02/70/557110270.db2.gz VISZTGLDVPKYOK-QYBDOPJKSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O ZINC000000883200 525430613 /nfs/dbraw/zinc/43/06/13/525430613.db2.gz VISZTGLDVPKYOK-HFJWLAOPSA-N 0 0 412.489 5.380 50 30 HKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000000883377 557110493 /nfs/dbraw/zinc/11/04/93/557110493.db2.gz RFNCFAXJYZNSAM-XMMPIXPASA-N 0 0 416.521 5.000 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000000883407 557110439 /nfs/dbraw/zinc/11/04/39/557110439.db2.gz FFDFHBDPONJRKV-MYYSRTQBSA-N 0 0 416.502 5.456 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000000883409 557110629 /nfs/dbraw/zinc/11/06/29/557110629.db2.gz FFDFHBDPONJRKV-OYLFLEFRSA-N 0 0 416.502 5.456 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000000883411 557110635 /nfs/dbraw/zinc/11/06/35/557110635.db2.gz FFDFHBDPONJRKV-OWJWWREXSA-N 0 0 416.502 5.456 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000000883414 557110569 /nfs/dbraw/zinc/11/05/69/557110569.db2.gz FFDFHBDPONJRKV-IZHWHUGBSA-N 0 0 416.502 5.456 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000000885416 568738841 /nfs/dbraw/zinc/73/88/41/568738841.db2.gz CQJHVPBEDACSGY-VWLOTQADSA-N 0 0 414.505 5.562 50 30 HKEARN COC(=O)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000885419 557111048 /nfs/dbraw/zinc/11/10/48/557111048.db2.gz XXVDEYGEAXCZNN-DEOSSOPVSA-N 0 0 412.489 5.331 50 30 HKEARN COc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000885442 557111014 /nfs/dbraw/zinc/11/10/14/557111014.db2.gz VQEGDUVUGZEXDR-RUZDIDTESA-N 0 0 414.505 5.562 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000885444 557111021 /nfs/dbraw/zinc/11/10/21/557111021.db2.gz VQEGDUVUGZEXDR-VWLOTQADSA-N 0 0 414.505 5.562 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000000886068 520269720 /nfs/dbraw/zinc/26/97/20/520269720.db2.gz YMMNSAGZQYRRIQ-HHHXNRCGSA-N 0 0 419.528 6.539 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000000886070 557111016 /nfs/dbraw/zinc/11/10/16/557111016.db2.gz YMMNSAGZQYRRIQ-MHZLTWQESA-N 0 0 419.528 6.539 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]nc1-c1ccccc1 ZINC000000886073 557111413 /nfs/dbraw/zinc/11/14/13/557111413.db2.gz KYONOOOPPUMVIY-UHFFFAOYSA-N 0 0 416.521 5.477 50 30 HKEARN Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000000888422 524215939 /nfs/dbraw/zinc/21/59/39/524215939.db2.gz CWUUHDHIUHECOO-UHFFFAOYSA-N 0 0 403.532 5.492 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000000891110 568740835 /nfs/dbraw/zinc/74/08/35/568740835.db2.gz QEVFOMFWIOSIBU-JOCHJYFZSA-N 0 0 406.551 5.299 50 30 HKEARN COc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1OC ZINC000000902682 557115070 /nfs/dbraw/zinc/11/50/70/557115070.db2.gz ZSNSXBHWDUVOFO-DEOSSOPVSA-N 0 0 401.487 5.570 50 30 HKEARN COc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1OC ZINC000000902683 557115043 /nfs/dbraw/zinc/11/50/43/557115043.db2.gz ZSNSXBHWDUVOFO-XMMPIXPASA-N 0 0 401.487 5.570 50 30 HKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1O ZINC000000904067 568749642 /nfs/dbraw/zinc/74/96/42/568749642.db2.gz TVEIQHSJRBFNRP-FSJBWODESA-N 0 0 422.282 5.229 50 30 HKEARN CCOc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)c(C#N)cc2c1 ZINC000000907324 568749733 /nfs/dbraw/zinc/74/97/33/568749733.db2.gz NOQWZRFEAOGQJS-UHFFFAOYSA-N 0 0 411.914 5.198 50 30 HKEARN CCOc1ccc2nc(SCC(=O)Nc3cccc4ccccc43)c(C#N)cc2c1 ZINC000000907346 568749731 /nfs/dbraw/zinc/74/97/31/568749731.db2.gz RBRVRXXKTVKPFU-UHFFFAOYSA-N 0 0 413.502 5.389 50 30 HKEARN C=C(C)Cn1c(SCc2nc3ccccc3[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000000909670 569006169 /nfs/dbraw/zinc/00/61/69/569006169.db2.gz ICLNQVWRANIKEY-UHFFFAOYSA-N 0 0 422.579 5.082 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3Cl)c(Nc3ccccc3Cl)nc12 ZINC000000911100 568750081 /nfs/dbraw/zinc/75/00/81/568750081.db2.gz IPCFNQFXSKRDRB-DHRITJCHSA-N 0 0 423.303 5.804 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@H](c2ccco2)C4)c2ccccc2C3=O)cc1 ZINC000000912778 557116973 /nfs/dbraw/zinc/11/69/73/557116973.db2.gz GFHUTBVHLDKZOQ-UZUQRXQVSA-N 0 0 407.469 5.283 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@@H](c2ccco2)C4)c2ccccc2C3=O)cc1 ZINC000000912783 557116920 /nfs/dbraw/zinc/11/69/20/557116920.db2.gz GFHUTBVHLDKZOQ-GAJHUEQPSA-N 0 0 407.469 5.283 50 30 HKEARN COc1ccc2nc(C)cc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c2c1 ZINC000000915657 568750422 /nfs/dbraw/zinc/75/04/22/568750422.db2.gz FCDASUHOZSGXRE-UHFFFAOYSA-N 0 0 423.563 5.095 50 30 HKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000000916027 568750426 /nfs/dbraw/zinc/75/04/26/568750426.db2.gz KBGXKPFKTULSKA-UHFFFAOYSA-N 0 0 423.553 5.106 50 30 HKEARN Cc1nc2cc(NC(=O)CSc3nc4cc(C)ccc4cc3C#N)ccc2s1 ZINC000000917503 568750252 /nfs/dbraw/zinc/75/02/52/568750252.db2.gz DNKNIAMGKSTHMB-UHFFFAOYSA-N 0 0 404.520 5.064 50 30 HKEARN Brc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000000920160 557118980 /nfs/dbraw/zinc/11/89/80/557118980.db2.gz GXHDMJKNGPWJJI-HZHRSRAPSA-N 0 0 411.299 5.296 50 30 HKEARN COc1ccc(OC)c([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000924044 568750769 /nfs/dbraw/zinc/75/07/69/568750769.db2.gz DQGBBUMVQKELOE-RUZDIDTESA-N 0 0 414.505 5.562 50 30 HKEARN COc1ccc(OC)c([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000924046 568750719 /nfs/dbraw/zinc/75/07/19/568750719.db2.gz DQGBBUMVQKELOE-VWLOTQADSA-N 0 0 414.505 5.562 50 30 HKEARN CCOc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000924071 520778683 /nfs/dbraw/zinc/77/86/83/520778683.db2.gz AASNOXGXPKWRNE-VWLOTQADSA-N 0 0 414.505 5.649 50 30 HKEARN CCOc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000924073 557119844 /nfs/dbraw/zinc/11/98/44/557119844.db2.gz AASNOXGXPKWRNE-RUZDIDTESA-N 0 0 414.505 5.649 50 30 HKEARN N#Cc1nc(COc2ccccc2Cl)oc1N1CCC(Cc2ccccc2)CC1 ZINC000000934557 568751670 /nfs/dbraw/zinc/75/16/70/568751670.db2.gz ZMYZZDQXCWSHOB-UHFFFAOYSA-N 0 0 407.901 5.238 50 30 HKEARN N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccc(Cl)cc1 ZINC000000934564 568751676 /nfs/dbraw/zinc/75/16/76/568751676.db2.gz FWJJVMZTMMFOAV-UHFFFAOYSA-N 0 0 418.678 5.153 50 30 HKEARN CCOc1ccc(Nc2oc(COc3ccc(Br)cc3)nc2C#N)cc1 ZINC000000934579 568751651 /nfs/dbraw/zinc/75/16/51/568751651.db2.gz LMFKXNQDRNSCAW-UHFFFAOYSA-N 0 0 414.259 5.030 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1CCCC2 ZINC000000936092 568751527 /nfs/dbraw/zinc/75/15/27/568751527.db2.gz NMQJNXAQWVQUJV-UHFFFAOYSA-N 0 0 416.424 6.030 50 30 HKEARN S=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1 ZINC000000939335 557121123 /nfs/dbraw/zinc/12/11/23/557121123.db2.gz FIMQOSNWQPXMAW-UDWIEESQSA-N 0 0 400.301 5.030 50 30 HKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 ZINC000000939697 568752738 /nfs/dbraw/zinc/75/27/38/568752738.db2.gz FHILOPXYORHJAO-UHFFFAOYSA-N 0 0 416.456 5.046 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc3ccccc3)nc12 ZINC000000940066 568752736 /nfs/dbraw/zinc/75/27/36/568752736.db2.gz LWSBXHKIGPJIOL-ZVHZXABRSA-N 0 0 405.910 5.558 50 30 HKEARN N#Cc1c2nc3ccccc3n2c(Nc2ccc(Br)cc2)c2c1CCCC2 ZINC000000941784 568753579 /nfs/dbraw/zinc/75/35/79/568753579.db2.gz IKOYASCOUSVKDR-UHFFFAOYSA-N 0 0 417.310 5.744 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(Nc3ccc(Cl)cc3)nc12 ZINC000000945529 568754499 /nfs/dbraw/zinc/75/44/99/568754499.db2.gz OUXCZJYZYQKARD-MFKUBSTISA-N 0 0 402.885 5.019 50 30 HKEARN CCc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 ZINC000000947957 568754673 /nfs/dbraw/zinc/75/46/73/568754673.db2.gz MTWVVHNKHYOQTR-UHFFFAOYSA-N 0 0 405.350 5.676 50 30 HKEARN COc1cc(C=Nn2c(C)n[nH]c2=S)ccc1OCc1c(Cl)cccc1Cl ZINC000000948150 568754830 /nfs/dbraw/zinc/75/48/30/568754830.db2.gz UJSBBUHCFSIYBT-ZVBGSRNCSA-N 0 0 423.325 5.026 50 30 HKEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000000950972 557124054 /nfs/dbraw/zinc/12/40/54/557124054.db2.gz ABBCYQSFXPYZRY-IBGZPJMESA-N 0 0 411.292 5.274 50 30 HKEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000000950973 557123984 /nfs/dbraw/zinc/12/39/84/557123984.db2.gz ABBCYQSFXPYZRY-LJQANCHMSA-N 0 0 411.292 5.274 50 30 HKEARN CC(C)/N=C(/c1ccccc1)n1c(=S)nc(-c2ccccc2)n(C(C)C)c1=S ZINC000000954625 519386338 /nfs/dbraw/zinc/38/63/38/519386338.db2.gz WKWCIMLYBZZBKD-NMWGTECJSA-N 0 0 408.596 6.095 50 30 HKEARN CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(OC(=O)c2ccco2)C1 ZINC000000955232 557125821 /nfs/dbraw/zinc/12/58/21/557125821.db2.gz IRLXLYZQBMRUHK-UHFFFAOYSA-N 0 0 421.312 5.592 50 30 HKEARN CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1c(O)ccc2ccccc21 ZINC000000971119 557127593 /nfs/dbraw/zinc/12/75/93/557127593.db2.gz ZOMIMUZDMGRQBH-FSJBWODESA-N 0 0 407.516 6.263 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000000972605 568759371 /nfs/dbraw/zinc/75/93/71/568759371.db2.gz FVWWRMMCTSNTSY-JFLMPSFJSA-N 0 0 411.505 5.861 50 30 HKEARN COc1ccc(-n2cnc3cc(/N=C/c4ccc(Br)cc4)ccc32)cc1 ZINC000000972632 523340670 /nfs/dbraw/zinc/34/06/70/523340670.db2.gz FVYKPHMTDBUFIO-YDZHTSKRSA-N 0 0 406.283 5.547 50 30 HKEARN O=C1c2ccccc2C(=O)C(c2ccc(Cl)cc2)=C1OCc1ccc([N+](=O)[O-])cc1 ZINC000000973103 568759381 /nfs/dbraw/zinc/75/93/81/568759381.db2.gz ZNKXQSPMHQBOCQ-UHFFFAOYSA-N 0 0 419.820 5.255 50 30 HKEARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000000977003 568759723 /nfs/dbraw/zinc/75/97/23/568759723.db2.gz VMZOLJONTMSEGH-UHFFFAOYSA-N 0 0 411.914 5.116 50 30 HKEARN Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc12 ZINC000000977016 568759630 /nfs/dbraw/zinc/75/96/30/568759630.db2.gz UKCSWHQTGGRFKK-UHFFFAOYSA-N 0 0 401.413 5.165 50 30 HKEARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cncc(Br)c1 ZINC000000977575 557129419 /nfs/dbraw/zinc/12/94/19/557129419.db2.gz LJXCZCOXNRAVQV-UHFFFAOYSA-N 0 0 410.296 5.757 50 30 HKEARN CCOc1cc(C#N)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC ZINC000000978040 520651169 /nfs/dbraw/zinc/65/11/69/520651169.db2.gz IOEDEBZGBALZFZ-GFCCVEGCSA-N 0 0 423.296 5.068 50 30 HKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CCCC2 ZINC000000978536 568758964 /nfs/dbraw/zinc/75/89/64/568758964.db2.gz WIZLVKALAYRWQS-UHFFFAOYSA-N 0 0 423.925 5.476 50 30 HKEARN CCOC(=O)c1c2ccc(/C=N/Cc3ccccc3)c(Cl)c2sc1NC(C)=O ZINC000000978731 557129602 /nfs/dbraw/zinc/12/96/02/557129602.db2.gz DWAAWYLHENWLFL-FSJBWODESA-N 0 0 414.914 5.309 50 30 HKEARN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000978821 520644349 /nfs/dbraw/zinc/64/43/49/520644349.db2.gz LHSBYMWYOATDIQ-DHRITJCHSA-N 0 0 419.437 5.405 50 30 HKEARN O=C1/C(=C/c2ccc(O)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000000978882 557129910 /nfs/dbraw/zinc/12/99/10/557129910.db2.gz OXVYFQRFUFHQQR-YWROOUKNSA-N 0 0 400.503 5.065 50 30 HKEARN C/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C ZINC000000979270 568760148 /nfs/dbraw/zinc/76/01/48/568760148.db2.gz VQKODWMVSQZFRY-SRWYGHAPSA-N 0 0 409.942 5.183 50 30 HKEARN C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000000979935 518266790 /nfs/dbraw/zinc/26/67/90/518266790.db2.gz MIYATPGBJMJIGW-WQRHYEAKSA-N 0 0 418.301 5.242 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O ZINC000000980068 568760169 /nfs/dbraw/zinc/76/01/69/568760169.db2.gz MNSNMKQVZCREDU-UHFFFAOYSA-N 0 0 412.526 5.120 50 30 HKEARN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000000980452 557130175 /nfs/dbraw/zinc/13/01/75/557130175.db2.gz PMFKVSTVKCVXAO-UHFFFAOYSA-N 0 0 413.476 6.305 50 30 HKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(F)c1 ZINC000000980601 557130367 /nfs/dbraw/zinc/13/03/67/557130367.db2.gz MAALVOUOKHRKHW-UHFFFAOYSA-N 0 0 402.421 5.266 50 30 HKEARN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 ZINC000000981513 568760333 /nfs/dbraw/zinc/76/03/33/568760333.db2.gz JPKWMEXFYOXGSM-MTJSOVHGSA-N 0 0 400.459 5.363 50 30 HKEARN N#Cc1c(NC(=O)CSc2ncccn2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000983536 568760168 /nfs/dbraw/zinc/76/01/68/568760168.db2.gz SJTLKRBXKWHKAG-UHFFFAOYSA-N 0 0 412.474 5.006 50 30 HKEARN COc1ccc(OC)c(/C=C2\CC(C)C/C(=C/c3cc(OC)ccc3OC)C2=O)c1 ZINC000000984250 568760547 /nfs/dbraw/zinc/76/05/47/568760547.db2.gz FHTRKULRRAQYFA-ZEDXCMECSA-N 0 0 408.494 5.187 50 30 HKEARN O=C(c1ccccc1)c1cc(Cl)ccc1NC=C1C(=O)CC(c2ccco2)CC1=O ZINC000000985248 557131871 /nfs/dbraw/zinc/13/18/71/557131871.db2.gz TZEKRDXYRYDTFL-UHFFFAOYSA-N 0 0 419.864 5.176 50 30 HKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000000985805 569006178 /nfs/dbraw/zinc/00/61/78/569006178.db2.gz QKEOWHHWYVDZFG-AWEZNQCLSA-N 0 0 422.579 5.203 50 30 HKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000000985806 518627537 /nfs/dbraw/zinc/62/75/37/518627537.db2.gz QKEOWHHWYVDZFG-CQSZACIVSA-N 0 0 422.579 5.203 50 30 HKEARN C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000985956 569006179 /nfs/dbraw/zinc/00/61/79/569006179.db2.gz ZEQXGYAYCUSRRV-AWEZNQCLSA-N 0 0 412.580 5.070 50 30 HKEARN C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000985957 569006149 /nfs/dbraw/zinc/00/61/49/569006149.db2.gz ZEQXGYAYCUSRRV-CQSZACIVSA-N 0 0 412.580 5.070 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000000986099 569006160 /nfs/dbraw/zinc/00/61/60/569006160.db2.gz UPAGINMZMLAUEL-UHFFFAOYSA-N 0 0 412.580 5.275 50 30 HKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000000986204 569006148 /nfs/dbraw/zinc/00/61/48/569006148.db2.gz NJSCQRABKROCIN-QGZVFWFLSA-N 0 0 412.580 5.034 50 30 HKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000000986205 519244423 /nfs/dbraw/zinc/24/44/23/519244423.db2.gz NJSCQRABKROCIN-KRWDZBQOSA-N 0 0 412.580 5.034 50 30 HKEARN N#Cc1cnc2c(Br)c(-c3ccc(Cl)cc3)nn2c1-c1cccs1 ZINC000000987928 568760688 /nfs/dbraw/zinc/76/06/88/568760688.db2.gz FEIIITSTRUTLGV-UHFFFAOYSA-N 0 0 415.703 5.412 50 30 HKEARN N#Cc1c(-c2cccnc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 ZINC000000988581 568760167 /nfs/dbraw/zinc/76/01/67/568760167.db2.gz URLBHXGYZFSXRZ-UHFFFAOYSA-N 0 0 407.498 5.657 50 30 HKEARN Cc1nc(SCC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C#N)c(C)c1C ZINC000000988789 568760717 /nfs/dbraw/zinc/76/07/17/568760717.db2.gz FRIFDJFRGGZMGF-UHFFFAOYSA-N 0 0 414.486 5.113 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccc(Br)s2)sc1Nc1ccccc1 ZINC000000989103 568760187 /nfs/dbraw/zinc/76/01/87/568760187.db2.gz JJPRFSJRUXUVGB-UHFFFAOYSA-N 0 0 404.314 5.001 50 30 HKEARN N#Cc1c(SCc2ccncc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000000989248 568760723 /nfs/dbraw/zinc/76/07/23/568760723.db2.gz SUGVSBDAZGYTPD-UHFFFAOYSA-N 0 0 403.507 6.175 50 30 HKEARN CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000989303 568760646 /nfs/dbraw/zinc/76/06/46/568760646.db2.gz NSGIQRMLSUDPQM-UHFFFAOYSA-N 0 0 413.593 5.371 50 30 HKEARN C/N=C1/S/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1C ZINC000000991472 568761499 /nfs/dbraw/zinc/76/14/99/568761499.db2.gz UBGAKPGFAVDZSH-TZUUXVJYSA-N 0 0 407.322 5.104 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c(Cl)c1 ZINC000000993487 557136738 /nfs/dbraw/zinc/13/67/38/557136738.db2.gz YTMOASQGPNBYQS-UHFFFAOYSA-N 0 0 419.348 6.394 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000000994642 568759855 /nfs/dbraw/zinc/75/98/55/568759855.db2.gz CYBYBCTVEVQLQK-LBPRGKRZSA-N 0 0 417.918 5.585 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000000994643 568759848 /nfs/dbraw/zinc/75/98/48/568759848.db2.gz CYBYBCTVEVQLQK-GFCCVEGCSA-N 0 0 417.918 5.585 50 30 HKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)o1 ZINC000000995190 568759850 /nfs/dbraw/zinc/75/98/50/568759850.db2.gz HFVRKYNCRKJYCJ-UHFFFAOYSA-N 0 0 413.502 5.868 50 30 HKEARN COC(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C#N)c1C ZINC000000995202 568759797 /nfs/dbraw/zinc/75/97/97/568759797.db2.gz OHHYNUWIWKCKIP-UHFFFAOYSA-N 0 0 404.900 5.144 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000995937 521168670 /nfs/dbraw/zinc/16/86/70/521168670.db2.gz 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CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000997488 557138523 /nfs/dbraw/zinc/13/85/23/557138523.db2.gz QZENSVBYISWGMT-DEOSSOPVSA-N 0 0 404.510 5.248 50 30 HKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000997489 557138431 /nfs/dbraw/zinc/13/84/31/557138431.db2.gz QZENSVBYISWGMT-XMMPIXPASA-N 0 0 404.510 5.248 50 30 HKEARN C=C(C)COc1c(Cl)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OCC ZINC000000997543 568761060 /nfs/dbraw/zinc/76/10/60/568761060.db2.gz UKLLXFMSJYALAS-VCHYOVAHSA-N 0 0 415.848 5.177 50 30 HKEARN C=C(C)COc1c(Cl)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC ZINC000000997544 569006170 /nfs/dbraw/zinc/00/61/70/569006170.db2.gz UKLLXFMSJYALAS-ZDLGFXPLSA-N 0 0 415.848 5.177 50 30 HKEARN C=C(C)COc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)ccc1OC ZINC000000997608 569006174 /nfs/dbraw/zinc/00/61/74/569006174.db2.gz IOCUKRQLCHNMAR-IUXPMGMMSA-N 0 0 418.276 5.301 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000000997696 557138879 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N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001009915 568761321 /nfs/dbraw/zinc/76/13/21/568761321.db2.gz NVWMSYVVTWBVIJ-UHFFFAOYSA-N 0 0 411.486 5.611 50 30 HKEARN C[C@H]1CCc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2C1 ZINC000001010206 568762917 /nfs/dbraw/zinc/76/29/17/568762917.db2.gz FXGGJYDWLKDKKS-SFHVURJKSA-N 0 0 413.546 5.535 50 30 HKEARN C[C@@H]1CCc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2C1 ZINC000001010207 568762909 /nfs/dbraw/zinc/76/29/09/568762909.db2.gz FXGGJYDWLKDKKS-GOSISDBHSA-N 0 0 413.546 5.535 50 30 HKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(Br)o3)C(=O)N2CC)cc1 ZINC000001011914 557141991 /nfs/dbraw/zinc/14/19/91/557141991.db2.gz CZSXICGEBZDTSF-AHHCQKMLSA-N 0 0 421.316 5.065 50 30 HKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)N2C)cc1 ZINC000001014381 557142501 /nfs/dbraw/zinc/14/25/01/557142501.db2.gz LAFQKAYRHMEHRU-UVOXWLTBSA-N 0 0 422.531 5.673 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 ZINC000001019370 568762586 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COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000001023447 557144380 /nfs/dbraw/zinc/14/43/80/557144380.db2.gz QOCQLWJHTLTABP-LBMUFILHSA-N 0 0 416.502 5.205 50 30 HKEARN N#Cc1cccc(C#N)c1Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001024224 568763404 /nfs/dbraw/zinc/76/34/04/568763404.db2.gz NXBVVDVEHKVEHE-UHFFFAOYSA-N 0 0 408.244 5.781 50 30 HKEARN N#Cc1c(Cl)cccc1Oc1ccc(-c2ccn(-c3ccc(Cl)cc3)n2)cc1 ZINC000001024343 568763313 /nfs/dbraw/zinc/76/33/13/568763313.db2.gz UNZDAVQVQUMKCQ-UHFFFAOYSA-N 0 0 406.272 6.510 50 30 HKEARN O=S(=O)(c1ccc(Cl)cc1)c1ccc(/N=C/c2ccccc2O)cc1Cl ZINC000001024771 557144770 /nfs/dbraw/zinc/14/47/70/557144770.db2.gz BWTOGHKYMWJFNZ-WSDLNYQXSA-N 0 0 406.290 5.282 50 30 HKEARN C/C(=N\O)c1ccc(Cl)c(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000001025210 557145081 /nfs/dbraw/zinc/14/50/81/557145081.db2.gz VKJNTWUNVOZAFH-AUEPDCJTSA-N 0 0 404.253 5.407 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(F)cc2)nc2c(c1-c1cccs1)CCCC2 ZINC000001026133 568763866 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HKEARN N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001029495 568763862 /nfs/dbraw/zinc/76/38/62/568763862.db2.gz SKOZJBACNXMXEJ-UHFFFAOYSA-N 0 0 419.453 5.431 50 30 HKEARN N#Cc1c(SCC(=O)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001029497 568763528 /nfs/dbraw/zinc/76/35/28/568763528.db2.gz NMOQGGFRBOLBBY-UHFFFAOYSA-N 0 0 404.438 5.676 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cccs2)s1 ZINC000001032517 557147842 /nfs/dbraw/zinc/14/78/42/557147842.db2.gz REMYDQLYPVFYDL-HXUWFJFHSA-N 0 0 413.564 5.254 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cccs2)s1 ZINC000001032518 557147874 /nfs/dbraw/zinc/14/78/74/557147874.db2.gz REMYDQLYPVFYDL-FQEVSTJZSA-N 0 0 413.564 5.254 50 30 HKEARN COc1c(C(C)(C)C)cc(/N=C/c2ccccc2O)c(C)c1/N=C/c1ccccc1O ZINC000001033151 557148421 /nfs/dbraw/zinc/14/84/21/557148421.db2.gz KTHZYTBGRBJNRG-DPCVLPDWSA-N 0 0 416.521 6.214 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2cc(C(F)(F)F)ccc2NCCc2ccccn2)s1 ZINC000001033179 527346243 /nfs/dbraw/zinc/34/62/43/527346243.db2.gz RQWVHVRZWAECPS-BRJLIKDPSA-N 0 0 420.416 5.475 50 30 HKEARN C=CCn1c(=S)sc2c1ncnc2N(Cc1ccccc1)Cc1ccccc1 ZINC000001034224 560726905 /nfs/dbraw/zinc/72/69/05/560726905.db2.gz TZWRZMYXPWOZCP-UHFFFAOYSA-N 0 0 404.564 5.615 50 30 HKEARN C=CCn1c(Sc2ncnc3c2sc(=S)n3CC=C)nnc1-c1ccccc1 ZINC000001034595 519259519 /nfs/dbraw/zinc/25/95/19/519259519.db2.gz YSTDOBGZAXIQNR-UHFFFAOYSA-N 0 0 424.580 5.004 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001034617 527553664 /nfs/dbraw/zinc/55/36/64/527553664.db2.gz FSNAXJSDKYKURI-QFIPXVFZSA-N 0 0 417.940 6.035 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001034618 527553560 /nfs/dbraw/zinc/55/35/60/527553560.db2.gz FSNAXJSDKYKURI-JOCHJYFZSA-N 0 0 417.940 6.035 50 30 HKEARN FC(F)(F)c1cc(/C=N/c2ccc(-c3csnn3)cc2)cc(C(F)(F)F)c1 ZINC000001035033 527679412 /nfs/dbraw/zinc/67/94/12/527679412.db2.gz IPPPCZSETLWYJJ-KTZMUZOWSA-N 0 0 401.335 5.993 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000001035420 557150008 /nfs/dbraw/zinc/15/00/08/557150008.db2.gz LKCQAJVUCPAKCK-QFIPXVFZSA-N 0 0 417.940 6.035 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000001035421 557150268 /nfs/dbraw/zinc/15/02/68/557150268.db2.gz LKCQAJVUCPAKCK-JOCHJYFZSA-N 0 0 417.940 6.035 50 30 HKEARN COc1cccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001035424 557150328 /nfs/dbraw/zinc/15/03/28/557150328.db2.gz GRTAAKOEKQHESY-QHCPKHFHSA-N 0 0 413.521 5.390 50 30 HKEARN COc1cccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001035425 557150291 /nfs/dbraw/zinc/15/02/91/557150291.db2.gz GRTAAKOEKQHESY-HSZRJFAPSA-N 0 0 413.521 5.390 50 30 HKEARN Clc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1 ZINC000001035790 526939942 /nfs/dbraw/zinc/93/99/42/526939942.db2.gz NHTYECPJQRMTQV-SRZZPIQSSA-N 0 0 404.347 6.604 50 30 HKEARN N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(F)cc2)cc1 ZINC000001036336 568764081 /nfs/dbraw/zinc/76/40/81/568764081.db2.gz OVTHMSTZRSFZLL-UHFFFAOYSA-N 0 0 400.331 5.761 50 30 HKEARN CC(C)(C)SCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(C#N)cc1 ZINC000001036338 568764062 /nfs/dbraw/zinc/76/40/62/568764062.db2.gz RWSVCCMUOULMBR-UHFFFAOYSA-N 0 0 408.445 5.840 50 30 HKEARN COc1cccc(C(=O)COc2nc(-c3cccs3)cc(-c3ccco3)c2C#N)c1 ZINC000001036647 568764092 /nfs/dbraw/zinc/76/40/92/568764092.db2.gz HXNQZCJSHYDMFM-UHFFFAOYSA-N 0 0 416.458 5.212 50 30 HKEARN N#Cc1c(OCC(=O)c2ccc(F)cc2)nc(-c2cccs2)cc1-c1ccco1 ZINC000001036648 568764129 /nfs/dbraw/zinc/76/41/29/568764129.db2.gz HKFNHYFBGSGUBS-UHFFFAOYSA-N 0 0 404.422 5.343 50 30 HKEARN CC1(C)CC(=O)C(Sc2ccc([N+](=O)[O-])cc2)=C(OC(=O)c2ccc(F)cc2)C1 ZINC000001037086 557151164 /nfs/dbraw/zinc/15/11/64/557151164.db2.gz RBJYGXLKCBYFJN-UHFFFAOYSA-N 0 0 415.442 5.284 50 30 HKEARN CSc1sc(C(=O)NCc2cccs2)c(-c2ccc(Cl)cc2)c1C#N ZINC000001037460 568764120 /nfs/dbraw/zinc/76/41/20/568764120.db2.gz MVJZYSWRTVNWOD-UHFFFAOYSA-N 0 0 404.969 5.654 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@]23C(=O)C=Cc2ccccc23)cc1 ZINC000001037981 525440381 /nfs/dbraw/zinc/44/03/81/525440381.db2.gz PRBJHYKJHVJKNX-NSOVKSMOSA-N 0 0 404.465 5.864 50 30 HKEARN COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@]23C(=O)C=Cc2ccccc23)cc1 ZINC000001037982 525279959 /nfs/dbraw/zinc/27/99/59/525279959.db2.gz PRBJHYKJHVJKNX-IZLXSDGUSA-N 0 0 404.465 5.864 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@]23C(=O)C=Cc2ccccc23)cc1 ZINC000001037983 557151735 /nfs/dbraw/zinc/15/17/35/557151735.db2.gz PRBJHYKJHVJKNX-WUFINQPMSA-N 0 0 404.465 5.864 50 30 HKEARN COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@]23C(=O)C=Cc2ccccc23)cc1 ZINC000001037984 557151681 /nfs/dbraw/zinc/15/16/81/557151681.db2.gz PRBJHYKJHVJKNX-VSGBNLITSA-N 0 0 404.465 5.864 50 30 HKEARN COc1ccc([C@H]2Cc3c(C#N)sc(SCc4ccccc4)c3C(=O)C2)cc1 ZINC000001038028 568764076 /nfs/dbraw/zinc/76/40/76/568764076.db2.gz HXQCWPCJXQQDMC-KRWDZBQOSA-N 0 0 405.544 5.833 50 30 HKEARN COc1ccc([C@@H]2Cc3c(C#N)sc(SCc4ccccc4)c3C(=O)C2)cc1 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N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000001054061 568765078 /nfs/dbraw/zinc/76/50/78/568765078.db2.gz KGCBCKZHQSZVNN-UHFFFAOYSA-N 0 0 417.273 5.575 50 30 HKEARN COc1cc(OC)c(C(=O)Nc2scc(-c3cc(C)ccc3C)c2C#N)cc1OC ZINC000001054633 568765042 /nfs/dbraw/zinc/76/50/42/568765042.db2.gz IXGBEXPYSZRIOS-UHFFFAOYSA-N 0 0 422.506 5.182 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1C ZINC000001055709 558835941 /nfs/dbraw/zinc/83/59/41/558835941.db2.gz MYJKXJCZJWCBNU-BHGWPJFGSA-N 0 0 415.405 5.499 50 30 HKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3ccc(I)s3)sc2C1 ZINC000001056066 524431736 /nfs/dbraw/zinc/43/17/36/524431736.db2.gz UPILOLXFEXGYNP-ZBPACCJBSA-N 0 0 412.321 5.161 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(I)s3)sc2C1 ZINC000001056068 568764192 /nfs/dbraw/zinc/76/41/92/568764192.db2.gz UPILOLXFEXGYNP-SEYNJHBTSA-N 0 0 412.321 5.161 50 30 HKEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000001057503 568764808 /nfs/dbraw/zinc/76/48/08/568764808.db2.gz MRHOJJHIWZFYBP-VSKRKVRLSA-N 0 0 415.924 5.357 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1F ZINC000001058106 569006283 /nfs/dbraw/zinc/00/62/83/569006283.db2.gz RONMZDWEOWSRQC-INIZCTEOSA-N 0 0 424.545 5.515 50 30 HKEARN O=C(CSc1nc2ccc(/N=C/c3ccccc3)cc2s1)NCc1ccccc1 ZINC000001058455 568765796 /nfs/dbraw/zinc/76/57/96/568765796.db2.gz FWHDYJPLHLWWHP-ZVHZXABRSA-N 0 0 417.559 5.455 50 30 HKEARN Clc1ccc(Oc2ccc(/N=C/c3ccc(I)o3)cc2)cc1 ZINC000001058486 526959511 /nfs/dbraw/zinc/95/95/11/526959511.db2.gz BDRRSSNSZARVBK-RGVLZGJSSA-N 0 0 423.637 6.081 50 30 HKEARN CCCc1cc2c(cc1NC(=O)c1ccccc1Sc1ccccc1C#N)OCO2 ZINC000001058854 568765074 /nfs/dbraw/zinc/76/50/74/568765074.db2.gz JIJLUXWHHSVYRJ-UHFFFAOYSA-N 0 0 416.502 5.643 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000001059524 568765854 /nfs/dbraw/zinc/76/58/54/568765854.db2.gz VOPFGQSZFQTNNB-DIFDQGGFSA-N 0 0 409.489 6.480 50 30 HKEARN Cc1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000001060074 525522123 /nfs/dbraw/zinc/52/21/23/525522123.db2.gz VKBRVOQNTMKLML-OGLMXYFKSA-N 0 0 420.516 5.238 50 30 HKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001063400 557165241 /nfs/dbraw/zinc/16/52/41/557165241.db2.gz RBTBXCAXFKBQSV-BCHFMIIMSA-N 0 0 421.500 5.461 50 30 HKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001063404 557165272 /nfs/dbraw/zinc/16/52/72/557165272.db2.gz RBTBXCAXFKBQSV-NIYFSFCBSA-N 0 0 421.500 5.461 50 30 HKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001063409 525396614 /nfs/dbraw/zinc/39/66/14/525396614.db2.gz RBTBXCAXFKBQSV-SIBVEZHUSA-N 0 0 421.500 5.461 50 30 HKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001063414 557165224 /nfs/dbraw/zinc/16/52/24/557165224.db2.gz RBTBXCAXFKBQSV-AFMDSPMNSA-N 0 0 421.500 5.461 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(OC(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001065732 525591771 /nfs/dbraw/zinc/59/17/71/525591771.db2.gz BLLUSLADNFOBCF-RUZDIDTESA-N 0 0 404.554 6.313 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(OC(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001065736 568415385 /nfs/dbraw/zinc/41/53/85/568415385.db2.gz BLLUSLADNFOBCF-VWLOTQADSA-N 0 0 404.554 6.313 50 30 HKEARN Cc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000001066172 557166640 /nfs/dbraw/zinc/16/66/40/557166640.db2.gz QQIQOMPBORDNCM-QHCPKHFHSA-N 0 0 412.489 6.257 50 30 HKEARN Cc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000001066175 557166545 /nfs/dbraw/zinc/16/65/45/557166545.db2.gz QQIQOMPBORDNCM-HSZRJFAPSA-N 0 0 412.489 6.257 50 30 HKEARN O=C1/C(=N/c2ccc(Oc3ccccc3)cc2)c2ccccc2N1CN1CCCCC1 ZINC000001066218 568766701 /nfs/dbraw/zinc/76/67/01/568766701.db2.gz VBBWEQSEMRLRAK-IMVLJIQESA-N 0 0 411.505 5.390 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccccn1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000001066807 557166571 /nfs/dbraw/zinc/16/65/71/557166571.db2.gz JYNFKAAICBRTFT-UPCLLVRISA-N 0 0 401.535 5.739 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccn1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000001066812 557166637 /nfs/dbraw/zinc/16/66/37/557166637.db2.gz JYNFKAAICBRTFT-FYSMJZIKSA-N 0 0 401.535 5.739 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccccn1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000001066816 557166969 /nfs/dbraw/zinc/16/69/69/557166969.db2.gz JYNFKAAICBRTFT-VOIUYBSRSA-N 0 0 401.535 5.739 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccn1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000001066819 557166996 /nfs/dbraw/zinc/16/69/96/557166996.db2.gz JYNFKAAICBRTFT-GYCJOSAFSA-N 0 0 401.535 5.739 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000001067977 568766054 /nfs/dbraw/zinc/76/60/54/568766054.db2.gz GTIADOLMKWPGTP-LBPRGKRZSA-N 0 0 407.451 5.165 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000001067980 568766003 /nfs/dbraw/zinc/76/60/03/568766003.db2.gz GTIADOLMKWPGTP-GFCCVEGCSA-N 0 0 407.451 5.165 50 30 HKEARN N#Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)sc2c1CCC2 ZINC000001068490 568766035 /nfs/dbraw/zinc/76/60/35/568766035.db2.gz ASIVVLUCBIPTDN-UHFFFAOYSA-N 0 0 412.470 5.134 50 30 HKEARN CSc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000001068743 557167956 /nfs/dbraw/zinc/16/79/56/557167956.db2.gz SSOAOYZQFXZWFY-HSZRJFAPSA-N 0 0 411.530 5.930 50 30 HKEARN CSc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000001068748 557167866 /nfs/dbraw/zinc/16/78/66/557167866.db2.gz SSOAOYZQFXZWFY-QHCPKHFHSA-N 0 0 411.530 5.930 50 30 HKEARN N#Cc1cc(Oc2c(Cl)cccc2Cl)c(-n2nnc3ccccc32)cc1C#N ZINC000001068894 568766020 /nfs/dbraw/zinc/76/60/20/568766020.db2.gz VYGDCMJCQZUTHG-UHFFFAOYSA-N 0 0 406.232 5.263 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccccc1 ZINC000001069386 557168431 /nfs/dbraw/zinc/16/84/31/557168431.db2.gz CQXLLTANEFKFQP-JOCHJYFZSA-N 0 0 410.433 5.116 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)c1ccccc1 ZINC000001069388 520828168 /nfs/dbraw/zinc/82/81/68/520828168.db2.gz CQXLLTANEFKFQP-QFIPXVFZSA-N 0 0 410.433 5.116 50 30 HKEARN O=C1CCCC2=C1[C@H](c1c[nH]nc1-c1ccc(F)cc1)c1c(ccc3ncccc31)N2 ZINC000001069575 568766804 /nfs/dbraw/zinc/76/68/04/568766804.db2.gz IHJINWMQGUQEPI-HSZRJFAPSA-N 0 0 410.452 5.329 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)c1c(ccc3ncccc31)N2 ZINC000001069581 568766907 /nfs/dbraw/zinc/76/69/07/568766907.db2.gz IHJINWMQGUQEPI-QHCPKHFHSA-N 0 0 410.452 5.329 50 30 HKEARN CCc1ccc([C@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001070944 557169455 /nfs/dbraw/zinc/16/94/55/557169455.db2.gz CLBPLRYSQQOKEP-OAQYLSRUSA-N 0 0 421.537 5.475 50 30 HKEARN CCc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001070945 557169450 /nfs/dbraw/zinc/16/94/50/557169450.db2.gz CLBPLRYSQQOKEP-NRFANRHFSA-N 0 0 421.537 5.475 50 30 HKEARN C=C(C)Cn1c(SCc2cccc(Br)c2)nc2ccccc2c1=O ZINC000001071140 569006190 /nfs/dbraw/zinc/00/61/90/569006190.db2.gz ISEWVFSKAZNYDD-UHFFFAOYSA-N 0 0 401.329 5.027 50 30 HKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000001071369 569006201 /nfs/dbraw/zinc/00/62/01/569006201.db2.gz QGYAPZJMRCAAIF-UHFFFAOYSA-N 0 0 411.977 5.448 50 30 HKEARN C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Cl)cc1Cl ZINC000001071935 568765653 /nfs/dbraw/zinc/76/56/53/568765653.db2.gz PXJUOYIUUPMWMQ-MQJDWESPSA-N 0 0 411.288 5.797 50 30 HKEARN C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Cl)cc1Cl ZINC000001071938 568765589 /nfs/dbraw/zinc/76/55/89/568765589.db2.gz PXJUOYIUUPMWMQ-FIKIJFGZSA-N 0 0 411.288 5.797 50 30 HKEARN C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Cl)cc1Cl ZINC000001071940 568765591 /nfs/dbraw/zinc/76/55/91/568765591.db2.gz PXJUOYIUUPMWMQ-WIUDPPPLSA-N 0 0 411.288 5.797 50 30 HKEARN C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Cl)cc1Cl ZINC000001071942 526209533 /nfs/dbraw/zinc/20/95/33/526209533.db2.gz PXJUOYIUUPMWMQ-WSVYEEACSA-N 0 0 411.288 5.797 50 30 HKEARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c(C#N)c(C)c1Cl ZINC000001072472 568768342 /nfs/dbraw/zinc/76/83/42/568768342.db2.gz QHDQNBHDYMUBMS-UHFFFAOYSA-N 0 0 400.718 5.261 50 30 HKEARN COc1ccc(OC)c(-c2cc(C(=O)Nc3sccc3C#N)c3ccccc3n2)c1 ZINC000001073834 568765202 /nfs/dbraw/zinc/76/52/02/568765202.db2.gz IJWOKRLASKNJBZ-UHFFFAOYSA-N 0 0 415.474 5.104 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001074555 557172236 /nfs/dbraw/zinc/17/22/36/557172236.db2.gz OSHQRTNONRKEIG-JOCHJYFZSA-N 0 0 413.945 5.574 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001074561 557172263 /nfs/dbraw/zinc/17/22/63/557172263.db2.gz OSHQRTNONRKEIG-QFIPXVFZSA-N 0 0 413.945 5.574 50 30 HKEARN COc1nc2c(c(-c3ccco3)c1C#N)CCc1c-2cnc2ccc3ccccc3c21 ZINC000001076154 568767031 /nfs/dbraw/zinc/76/70/31/568767031.db2.gz MQQTZAXBKOITDA-UHFFFAOYSA-N 0 0 403.441 5.689 50 30 HKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000001076639 521069579 /nfs/dbraw/zinc/06/95/79/521069579.db2.gz UMPVBXDZIILERP-HXUWFJFHSA-N 0 0 414.549 5.297 50 30 HKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@H](c2ccccc2)CC1=O ZINC000001076643 568767042 /nfs/dbraw/zinc/76/70/42/568767042.db2.gz UMPVBXDZIILERP-FQEVSTJZSA-N 0 0 414.549 5.297 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1F ZINC000001076704 568767002 /nfs/dbraw/zinc/76/70/02/568767002.db2.gz AEDFYJGBWKBISO-GFCCVEGCSA-N 0 0 420.303 5.177 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1F ZINC000001076705 568767033 /nfs/dbraw/zinc/76/70/33/568767033.db2.gz AEDFYJGBWKBISO-LBPRGKRZSA-N 0 0 420.303 5.177 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1cccs1 ZINC000001076707 568767022 /nfs/dbraw/zinc/76/70/22/568767022.db2.gz FDGPNWLFWZWBGE-OAHLLOKOSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1cccs1 ZINC000001076709 520256309 /nfs/dbraw/zinc/25/63/09/520256309.db2.gz FDGPNWLFWZWBGE-HNNXBMFYSA-N 0 0 419.468 5.931 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1F ZINC000001076737 568767013 /nfs/dbraw/zinc/76/70/13/568767013.db2.gz PONAAEXASXUWMG-CYBMUJFWSA-N 0 0 420.303 5.177 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1F ZINC000001076738 568767265 /nfs/dbraw/zinc/76/72/65/568767265.db2.gz PONAAEXASXUWMG-ZDUSSCGKSA-N 0 0 420.303 5.177 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000001076942 527033469 /nfs/dbraw/zinc/03/34/69/527033469.db2.gz UZEZRWTXYALUAT-CLYVBNDRSA-N 0 0 422.553 6.881 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000001076946 557173732 /nfs/dbraw/zinc/17/37/32/557173732.db2.gz UZEZRWTXYALUAT-DNOBIOAJSA-N 0 0 422.553 6.881 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000001076949 557173720 /nfs/dbraw/zinc/17/37/20/557173720.db2.gz UZEZRWTXYALUAT-MYUZEXMDSA-N 0 0 422.553 6.881 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000001076952 527024204 /nfs/dbraw/zinc/02/42/04/527024204.db2.gz UZEZRWTXYALUAT-XRHLQHRESA-N 0 0 422.553 6.881 50 30 HKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 ZINC000001076988 557173795 /nfs/dbraw/zinc/17/37/95/557173795.db2.gz RHFXJVJALNCPPU-PIKZIKFNSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 ZINC000001076991 521424435 /nfs/dbraw/zinc/42/44/35/521424435.db2.gz RHFXJVJALNCPPU-LYZGTLIUSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 ZINC000001076994 521416538 /nfs/dbraw/zinc/41/65/38/521416538.db2.gz RHFXJVJALNCPPU-KMRXNPHXSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 ZINC000001076997 557173766 /nfs/dbraw/zinc/17/37/66/557173766.db2.gz RHFXJVJALNCPPU-RBTNQOKQSA-N 0 0 424.544 6.373 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000001077077 557173737 /nfs/dbraw/zinc/17/37/37/557173737.db2.gz PFEPNBKIRPUXAR-HFJWLAOPSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000001077080 557173772 /nfs/dbraw/zinc/17/37/72/557173772.db2.gz PFEPNBKIRPUXAR-WXTAPIANSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000001077083 557173744 /nfs/dbraw/zinc/17/37/44/557173744.db2.gz PFEPNBKIRPUXAR-QYBDOPJKSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000001077086 557173787 /nfs/dbraw/zinc/17/37/87/557173787.db2.gz PFEPNBKIRPUXAR-DWXRJYCRSA-N 0 0 414.936 6.628 50 30 HKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000001077285 557174125 /nfs/dbraw/zinc/17/41/25/557174125.db2.gz DMRCRSNWHYGCAU-UZTOHYMASA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000001077288 557174061 /nfs/dbraw/zinc/17/40/61/557174061.db2.gz DMRCRSNWHYGCAU-XHCCPWGMSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000001077291 524762954 /nfs/dbraw/zinc/76/29/54/524762954.db2.gz DMRCRSNWHYGCAU-PPHZAIPVSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000001077293 557174095 /nfs/dbraw/zinc/17/40/95/557174095.db2.gz DMRCRSNWHYGCAU-WINIVTDRSA-N 0 0 410.517 5.983 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000001077344 557174078 /nfs/dbraw/zinc/17/40/78/557174078.db2.gz GQODKKWWEBSTNK-CJAUYULYSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000001077346 557174097 /nfs/dbraw/zinc/17/40/97/557174097.db2.gz GQODKKWWEBSTNK-IQGLISFBSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000001077348 524040823 /nfs/dbraw/zinc/04/08/23/524040823.db2.gz GQODKKWWEBSTNK-BVZFJXPGSA-N 0 0 400.547 6.290 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000001077351 557174052 /nfs/dbraw/zinc/17/40/52/557174052.db2.gz GQODKKWWEBSTNK-AVRWGWEMSA-N 0 0 400.547 6.290 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000001077486 525793748 /nfs/dbraw/zinc/79/37/48/525793748.db2.gz PTWJTSZVMVQGEI-AFMDSPMNSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000001077488 557174411 /nfs/dbraw/zinc/17/44/11/557174411.db2.gz PTWJTSZVMVQGEI-NIYFSFCBSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000001077491 557174423 /nfs/dbraw/zinc/17/44/23/557174423.db2.gz PTWJTSZVMVQGEI-SIBVEZHUSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000001077495 525987459 /nfs/dbraw/zinc/98/74/59/525987459.db2.gz PTWJTSZVMVQGEI-BCHFMIIMSA-N 0 0 414.936 6.628 50 30 HKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077592 525429732 /nfs/dbraw/zinc/42/97/32/525429732.db2.gz KYWJHTLSRBWYHA-CCLHPLFOSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077594 557174415 /nfs/dbraw/zinc/17/44/15/557174415.db2.gz KYWJHTLSRBWYHA-NFQMXDRXSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077596 557174419 /nfs/dbraw/zinc/17/44/19/557174419.db2.gz KYWJHTLSRBWYHA-DCFHFQCYSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077599 557174313 /nfs/dbraw/zinc/17/43/13/557174313.db2.gz KYWJHTLSRBWYHA-HRFSGMKKSA-N 0 0 410.517 5.983 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077626 521246972 /nfs/dbraw/zinc/24/69/72/521246972.db2.gz PIKQHZQHWDYWOE-PIKZIKFNSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077629 521273139 /nfs/dbraw/zinc/27/31/39/521273139.db2.gz PIKQHZQHWDYWOE-LYZGTLIUSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077633 557174336 /nfs/dbraw/zinc/17/43/36/557174336.db2.gz PIKQHZQHWDYWOE-KMRXNPHXSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077636 557174325 /nfs/dbraw/zinc/17/43/25/557174325.db2.gz PIKQHZQHWDYWOE-RBTNQOKQSA-N 0 0 424.544 6.373 50 30 HKEARN CC[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000001078239 568767240 /nfs/dbraw/zinc/76/72/40/568767240.db2.gz KGZBSZSTTNWULN-GBXCKJPGSA-N 0 0 403.522 5.495 50 30 HKEARN CC[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000001078241 522981958 /nfs/dbraw/zinc/98/19/58/522981958.db2.gz KGZBSZSTTNWULN-HYBUGGRVSA-N 0 0 403.522 5.495 50 30 HKEARN CC[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000001078244 568767279 /nfs/dbraw/zinc/76/72/79/568767279.db2.gz KGZBSZSTTNWULN-RDPSFJRHSA-N 0 0 403.522 5.495 50 30 HKEARN CC[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000001078246 568767233 /nfs/dbraw/zinc/76/72/33/568767233.db2.gz KGZBSZSTTNWULN-YKSBVNFPSA-N 0 0 403.522 5.495 50 30 HKEARN CC(=O)n1c2ccccc2c2nc3ccccc3nc2oc2cc(C#N)c(C#N)cc21 ZINC000001078262 568767226 /nfs/dbraw/zinc/76/72/26/568767226.db2.gz LDZSKBQHHJHCMH-UHFFFAOYSA-N 0 0 403.401 5.012 50 30 HKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001078275 525394714 /nfs/dbraw/zinc/39/47/14/525394714.db2.gz XISCRWYVNWGPEN-GYCJOSAFSA-N 0 0 411.461 5.054 50 30 HKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001078277 557174618 /nfs/dbraw/zinc/17/46/18/557174618.db2.gz XISCRWYVNWGPEN-VOIUYBSRSA-N 0 0 411.461 5.054 50 30 HKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001078280 525396498 /nfs/dbraw/zinc/39/64/98/525396498.db2.gz XISCRWYVNWGPEN-FYSMJZIKSA-N 0 0 411.461 5.054 50 30 HKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000001078283 557174559 /nfs/dbraw/zinc/17/45/59/557174559.db2.gz XISCRWYVNWGPEN-UPCLLVRISA-N 0 0 411.461 5.054 50 30 HKEARN COc1ccc([C@H]2c3ccc4ncccc4c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000001078367 525442809 /nfs/dbraw/zinc/44/28/09/525442809.db2.gz GQQQZVVFDHVAIW-QHCPKHFHSA-N 0 0 414.505 5.453 50 30 HKEARN COc1ccc([C@@H]2c3ccc4ncccc4c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000001078371 568767236 /nfs/dbraw/zinc/76/72/36/568767236.db2.gz GQQQZVVFDHVAIW-HSZRJFAPSA-N 0 0 414.505 5.453 50 30 HKEARN COc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001078512 557175062 /nfs/dbraw/zinc/17/50/62/557175062.db2.gz WNCKPNPKAKWXMH-QHCPKHFHSA-N 0 0 414.505 5.453 50 30 HKEARN COc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001078515 557174998 /nfs/dbraw/zinc/17/49/98/557174998.db2.gz WNCKPNPKAKWXMH-HSZRJFAPSA-N 0 0 414.505 5.453 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000001079466 520256148 /nfs/dbraw/zinc/25/61/48/520256148.db2.gz IHAQGWVTJJYCMI-QGZVFWFLSA-N 0 0 414.332 6.157 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000001079467 568767241 /nfs/dbraw/zinc/76/72/41/568767241.db2.gz IHAQGWVTJJYCMI-KRWDZBQOSA-N 0 0 414.332 6.157 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]2c1cccnc1 ZINC000001079523 520256074 /nfs/dbraw/zinc/25/60/74/520256074.db2.gz HTEUUNJAZINNTM-QGZVFWFLSA-N 0 0 415.320 5.552 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@H]2c1cccnc1 ZINC000001079525 520255117 /nfs/dbraw/zinc/25/51/17/520255117.db2.gz HTEUUNJAZINNTM-KRWDZBQOSA-N 0 0 415.320 5.552 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1cccs1 ZINC000001079529 568767232 /nfs/dbraw/zinc/76/72/32/568767232.db2.gz OVUFJQSFOHPFKY-OAHLLOKOSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1cccs1 ZINC000001079530 568767252 /nfs/dbraw/zinc/76/72/52/568767252.db2.gz OVUFJQSFOHPFKY-HNNXBMFYSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccsc1 ZINC000001079532 568767266 /nfs/dbraw/zinc/76/72/66/568767266.db2.gz JAYXKFSQILDIKZ-MRXNPFEDSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1ccsc1 ZINC000001079533 568767237 /nfs/dbraw/zinc/76/72/37/568767237.db2.gz JAYXKFSQILDIKZ-INIZCTEOSA-N 0 0 419.468 5.931 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1 ZINC000001079555 526966510 /nfs/dbraw/zinc/96/65/10/526966510.db2.gz GOJKMMYTCOGCOO-MRXNPFEDSA-N 0 0 404.268 5.660 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1 ZINC000001079558 526968467 /nfs/dbraw/zinc/96/84/67/526968467.db2.gz GOJKMMYTCOGCOO-INIZCTEOSA-N 0 0 404.268 5.660 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1 ZINC000001079560 526967764 /nfs/dbraw/zinc/96/77/64/526967764.db2.gz XKYSPYWHAAYWOP-OAHLLOKOSA-N 0 0 404.268 5.660 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1 ZINC000001079562 526969112 /nfs/dbraw/zinc/96/91/12/526969112.db2.gz XKYSPYWHAAYWOP-HNNXBMFYSA-N 0 0 404.268 5.660 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079589 526966429 /nfs/dbraw/zinc/96/64/29/526966429.db2.gz GLRZMSUIKOIDNM-CQSZACIVSA-N 0 0 422.258 5.799 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079590 568767275 /nfs/dbraw/zinc/76/72/75/568767275.db2.gz GLRZMSUIKOIDNM-AWEZNQCLSA-N 0 0 422.258 5.799 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079592 526968475 /nfs/dbraw/zinc/96/84/75/526968475.db2.gz HKMPRASIUWEBRI-CYBMUJFWSA-N 0 0 422.258 5.799 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1F ZINC000001079593 526969847 /nfs/dbraw/zinc/96/98/47/526969847.db2.gz HKMPRASIUWEBRI-ZDUSSCGKSA-N 0 0 422.258 5.799 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000001079612 568767267 /nfs/dbraw/zinc/76/72/67/568767267.db2.gz YVVZILFNELWVGQ-MRXNPFEDSA-N 0 0 415.867 5.782 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000001079614 568767260 /nfs/dbraw/zinc/76/72/60/568767260.db2.gz YVVZILFNELWVGQ-INIZCTEOSA-N 0 0 415.867 5.782 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]2c1cccs1 ZINC000001079902 520254842 /nfs/dbraw/zinc/25/48/42/520254842.db2.gz ZUJCBASXMZRCDW-OAHLLOKOSA-N 0 0 420.361 6.219 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@H]2c1cccs1 ZINC000001079904 568767514 /nfs/dbraw/zinc/76/75/14/568767514.db2.gz ZUJCBASXMZRCDW-HNNXBMFYSA-N 0 0 420.361 6.219 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]2c1ccsc1 ZINC000001079906 520255936 /nfs/dbraw/zinc/25/59/36/520255936.db2.gz UJCMWYDMMYYJFF-MRXNPFEDSA-N 0 0 420.361 6.219 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(=O)C[C@H]2c1ccsc1 ZINC000001079908 568767495 /nfs/dbraw/zinc/76/74/95/568767495.db2.gz UJCMWYDMMYYJFF-INIZCTEOSA-N 0 0 420.361 6.219 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccccc1 ZINC000001079919 568767492 /nfs/dbraw/zinc/76/74/92/568767492.db2.gz RVAIDNZANLPNLD-GOSISDBHSA-N 0 0 413.439 5.869 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1ccccc1 ZINC000001079920 568767506 /nfs/dbraw/zinc/76/75/06/568767506.db2.gz RVAIDNZANLPNLD-SFHVURJKSA-N 0 0 413.439 5.869 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1ccccc1 ZINC000001079923 568767471 /nfs/dbraw/zinc/76/74/71/568767471.db2.gz BIFUIQKUXAVZIL-MRXNPFEDSA-N 0 0 413.439 5.869 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1ccccc1 ZINC000001079924 568767469 /nfs/dbraw/zinc/76/74/69/568767469.db2.gz BIFUIQKUXAVZIL-INIZCTEOSA-N 0 0 413.439 5.869 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccs1 ZINC000001079925 568767438 /nfs/dbraw/zinc/76/74/38/568767438.db2.gz WIIYOSUVQQPIRY-CYBMUJFWSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccs1 ZINC000001079926 520254967 /nfs/dbraw/zinc/25/49/67/520254967.db2.gz WIIYOSUVQQPIRY-ZDUSSCGKSA-N 0 0 419.468 5.931 50 30 HKEARN Cc1ccc(N2C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001079934 524921626 /nfs/dbraw/zinc/92/16/26/524921626.db2.gz ZPMNCZZOKKEZMU-IBGZPJMESA-N 0 0 404.466 5.067 50 30 HKEARN Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001079935 524924925 /nfs/dbraw/zinc/92/49/25/524924925.db2.gz ZPMNCZZOKKEZMU-LJQANCHMSA-N 0 0 404.466 5.067 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000001080095 568767462 /nfs/dbraw/zinc/76/74/62/568767462.db2.gz IXMGXPMSICUISJ-MRXNPFEDSA-N 0 0 414.332 6.157 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000001080096 568767513 /nfs/dbraw/zinc/76/75/13/568767513.db2.gz IXMGXPMSICUISJ-INIZCTEOSA-N 0 0 414.332 6.157 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1ccsc1 ZINC000001080116 568767668 /nfs/dbraw/zinc/76/76/68/568767668.db2.gz AAJLGFYGKJVDOC-CQSZACIVSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1ccsc1 ZINC000001080117 520255607 /nfs/dbraw/zinc/25/56/07/520255607.db2.gz AAJLGFYGKJVDOC-AWEZNQCLSA-N 0 0 419.468 5.931 50 30 HKEARN CCOc1cc(C#N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC ZINC000001080185 568767725 /nfs/dbraw/zinc/76/77/25/568767725.db2.gz TVPKMOPFNKYSTE-UHFFFAOYSA-N 0 0 400.478 5.126 50 30 HKEARN CCN(C(=O)c1sc(NC(=O)c2cccs2)c(C#N)c1C)C1CCCCC1 ZINC000001080396 568767693 /nfs/dbraw/zinc/76/76/93/568767693.db2.gz MTTRHXNFLZEGPX-UHFFFAOYSA-N 0 0 401.557 5.037 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1ccsc1 ZINC000001080468 568767732 /nfs/dbraw/zinc/76/77/32/568767732.db2.gz BEVSUNSEWXIIEK-MRXNPFEDSA-N 0 0 419.468 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1ccsc1 ZINC000001080469 520254798 /nfs/dbraw/zinc/25/47/98/520254798.db2.gz BEVSUNSEWXIIEK-INIZCTEOSA-N 0 0 419.468 5.931 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@H](c2cccc3ccccc32)C1C(=O)c1ccccc1 ZINC000001080550 520827670 /nfs/dbraw/zinc/82/76/70/520827670.db2.gz GCOXAXKYNNXZKH-AREMUKBSSA-N 0 0 415.496 6.361 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc3ccccc32)C1C(=O)c1ccccc1 ZINC000001080551 568767839 /nfs/dbraw/zinc/76/78/39/568767839.db2.gz GCOXAXKYNNXZKH-SANMLTNESA-N 0 0 415.496 6.361 50 30 HKEARN Cc1nc(Oc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C#N)c(C)c1Cl ZINC000001080610 568767906 /nfs/dbraw/zinc/76/79/06/568767906.db2.gz JZFLNDJEONYYDM-UHFFFAOYSA-N 0 0 412.276 5.922 50 30 HKEARN Cc1nc(Oc2cccc(NC(=O)c3ccccc3Cl)c2)c(C#N)c(C)c1[N+](=O)[O-] ZINC000001080611 568767818 /nfs/dbraw/zinc/76/78/18/568767818.db2.gz KRYSBOAJULXYQW-UHFFFAOYSA-N 0 0 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CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000001097418 568769702 /nfs/dbraw/zinc/76/97/02/568769702.db2.gz YUNVRHGUFYXFLA-GRSHGNNSSA-N 0 0 412.898 5.235 50 30 HKEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000001098331 569006265 /nfs/dbraw/zinc/00/62/65/569006265.db2.gz VGDLPYFRXIRSSH-RQZCQDPDSA-N 0 0 405.306 5.070 50 30 HKEARN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1cccc2ccccc21 ZINC000001098510 557178395 /nfs/dbraw/zinc/17/83/95/557178395.db2.gz OSJOGXPPPJMTHE-RWPZCVJISA-N 0 0 410.473 6.260 50 30 HKEARN N#Cc1ccccc1Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000001098550 526738214 /nfs/dbraw/zinc/73/82/14/526738214.db2.gz LPWNIKCESQXPHT-RDRPBHBLSA-N 0 0 420.516 5.148 50 30 HKEARN O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000001098835 557178501 /nfs/dbraw/zinc/17/85/01/557178501.db2.gz PWRLRDMNBFVFHD-YFGQCYJXSA-N 0 0 420.534 5.395 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000001099653 568769862 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ZINC000001107582 557180726 /nfs/dbraw/zinc/18/07/26/557180726.db2.gz FMEVHXOEAIVOOJ-QFIPXVFZSA-N 0 0 415.508 5.886 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000001107586 557180750 /nfs/dbraw/zinc/18/07/50/557180750.db2.gz TURVVFMMEJCZTM-WNSKOXEYSA-N 0 0 415.493 5.653 50 30 HKEARN Cc1ccsc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000001108449 525884174 /nfs/dbraw/zinc/88/41/74/525884174.db2.gz AQOLSLUVDOBQBX-WXTAPIANSA-N 0 0 422.553 6.672 50 30 HKEARN Cc1ccsc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000001108450 557180976 /nfs/dbraw/zinc/18/09/76/557180976.db2.gz AQOLSLUVDOBQBX-DWXRJYCRSA-N 0 0 422.553 6.672 50 30 HKEARN Cc1ccsc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000001108451 557180973 /nfs/dbraw/zinc/18/09/73/557180973.db2.gz AQOLSLUVDOBQBX-HFJWLAOPSA-N 0 0 422.553 6.672 50 30 HKEARN Cc1ccsc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000001108452 557181031 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CC1=C(C(=O)c2ccccc2)C(c2ccccc2F)C(C(=O)c2ccccc2)=C(C)N1 ZINC000001117112 557187721 /nfs/dbraw/zinc/18/77/21/557187721.db2.gz CMGZMFLMKBIVAV-UHFFFAOYSA-N 0 0 411.476 5.826 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cc2ccccc2o1 ZINC000001117421 560728137 /nfs/dbraw/zinc/72/81/37/560728137.db2.gz QKUFWKQHKXMTIE-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN CC(=O)Oc1ccc(C(=O)C[C@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001118649 557189381 /nfs/dbraw/zinc/18/93/81/557189381.db2.gz XCYXUSCRYLZHKK-IBGZPJMESA-N 0 0 404.462 5.004 50 30 HKEARN CC(=O)Oc1ccc(C(=O)C[C@@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001118650 519758851 /nfs/dbraw/zinc/75/88/51/519758851.db2.gz XCYXUSCRYLZHKK-LJQANCHMSA-N 0 0 404.462 5.004 50 30 HKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cc(Br)ccc1O ZINC000001118652 569006303 /nfs/dbraw/zinc/00/63/03/569006303.db2.gz DNEVRDDCNUXHEU-UHFFFAOYSA-N 0 0 420.307 5.031 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 ZINC000001120814 568771150 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Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(F)cc3)nc3c2CCCC3)o1 ZINC000001196845 568822678 /nfs/dbraw/zinc/82/26/78/568822678.db2.gz SFGJEKHSPKWBRF-UHFFFAOYSA-N 0 0 406.482 5.515 50 30 HKEARN N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCCC2 ZINC000001199915 568822664 /nfs/dbraw/zinc/82/26/64/568822664.db2.gz RMGSSKWKKFYOHS-UHFFFAOYSA-N 0 0 400.503 5.765 50 30 HKEARN COC(=O)c1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000001199972 568822693 /nfs/dbraw/zinc/82/26/93/568822693.db2.gz BPLZXHOKRKKAHQ-LJQANCHMSA-N 0 0 422.531 5.187 50 30 HKEARN COC(=O)c1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000001199973 568822658 /nfs/dbraw/zinc/82/26/58/568822658.db2.gz BPLZXHOKRKKAHQ-IBGZPJMESA-N 0 0 422.531 5.187 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000001200617 557239115 /nfs/dbraw/zinc/23/91/15/557239115.db2.gz FLANDASYZIJADQ-AVRWGWEMSA-N 0 0 414.530 5.669 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000001200620 557239139 /nfs/dbraw/zinc/23/91/39/557239139.db2.gz FLANDASYZIJADQ-BVZFJXPGSA-N 0 0 414.530 5.669 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000001200624 557239099 /nfs/dbraw/zinc/23/90/99/557239099.db2.gz FLANDASYZIJADQ-IQGLISFBSA-N 0 0 414.530 5.669 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000001200627 557239127 /nfs/dbraw/zinc/23/91/27/557239127.db2.gz FLANDASYZIJADQ-CJAUYULYSA-N 0 0 414.530 5.669 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S ZINC000001202798 569006410 /nfs/dbraw/zinc/00/64/10/569006410.db2.gz WWXOTBPVXREBAE-XSFVSMFZSA-N 0 0 411.548 5.052 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001203577 518825570 /nfs/dbraw/zinc/82/55/70/518825570.db2.gz KOIALBQHTIJNMG-PDGQHHTCSA-N 0 0 401.940 5.306 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccn1 ZINC000001204514 557240400 /nfs/dbraw/zinc/24/04/00/557240400.db2.gz PTWHEVQTEFEIRI-RUZDIDTESA-N 0 0 423.516 5.538 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccn1 ZINC000001204517 520263129 /nfs/dbraw/zinc/26/31/29/520263129.db2.gz PTWHEVQTEFEIRI-VWLOTQADSA-N 0 0 423.516 5.538 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000001206072 569006491 /nfs/dbraw/zinc/00/64/91/569006491.db2.gz HPOKVTAILJCHMB-PDGQHHTCSA-N 0 0 401.940 5.306 50 30 HKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001208041 568823787 /nfs/dbraw/zinc/82/37/87/568823787.db2.gz POPLZWDXXWNIPG-UHFFFAOYSA-N 0 0 406.279 5.319 50 30 HKEARN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001208209 557242085 /nfs/dbraw/zinc/24/20/85/557242085.db2.gz QWMXSZJUBPSCOK-TYGLDRHGSA-N 0 0 415.518 5.160 50 30 HKEARN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001208214 557242178 /nfs/dbraw/zinc/24/21/78/557242178.db2.gz QWMXSZJUBPSCOK-MONKAWABSA-N 0 0 415.518 5.160 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000001209143 557242687 /nfs/dbraw/zinc/24/26/87/557242687.db2.gz OQLDTINGYXKBEQ-GKVSMKOHSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000001209888 557243114 /nfs/dbraw/zinc/24/31/14/557243114.db2.gz BJUDTVCFSJIYPA-UHFFFAOYSA-N 0 0 419.274 5.491 50 30 HKEARN COc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000001212707 569322068 /nfs/dbraw/zinc/32/20/68/569322068.db2.gz RKMLGUSIKMGBIV-LQKURTRISA-N 0 0 424.456 5.959 50 30 HKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000001213352 557244505 /nfs/dbraw/zinc/24/45/05/557244505.db2.gz UYKKSTIWPYXDPZ-XMMPIXPASA-N 0 0 407.554 5.654 50 30 HKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000001213355 557244544 /nfs/dbraw/zinc/24/45/44/557244544.db2.gz UYKKSTIWPYXDPZ-DEOSSOPVSA-N 0 0 407.554 5.654 50 30 HKEARN O=C(C=CNc1ccc(-c2ccc(NC=CC(=O)c3ccco3)cc2)cc1)c1ccco1 ZINC000001215109 557245392 /nfs/dbraw/zinc/24/53/92/557245392.db2.gz HTMQLUXMKSGGQX-WXUKJITCSA-N 0 0 424.456 6.157 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1ccccc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001215546 557245413 /nfs/dbraw/zinc/24/54/13/557245413.db2.gz YBWVXKHJOWKPHO-DWXRJYCRSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1ccccc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001215549 557245760 /nfs/dbraw/zinc/24/57/60/557245760.db2.gz YBWVXKHJOWKPHO-WXTAPIANSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1ccccc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001215552 557245750 /nfs/dbraw/zinc/24/57/50/557245750.db2.gz YBWVXKHJOWKPHO-QYBDOPJKSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1ccccc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001215554 557245743 /nfs/dbraw/zinc/24/57/43/557245743.db2.gz YBWVXKHJOWKPHO-HFJWLAOPSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(C)c(C)c2)cc1C ZINC000001216172 557245730 /nfs/dbraw/zinc/24/57/30/557245730.db2.gz MUUCHVPFRIHFQV-JFLMPSFJSA-N 0 0 410.521 5.731 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216824 557246409 /nfs/dbraw/zinc/24/64/09/557246409.db2.gz SLRGJOBCFWDFBY-BCHFMIIMSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216825 526174186 /nfs/dbraw/zinc/17/41/86/526174186.db2.gz SLRGJOBCFWDFBY-NIYFSFCBSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216826 526171667 /nfs/dbraw/zinc/17/16/67/526171667.db2.gz SLRGJOBCFWDFBY-SIBVEZHUSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216827 557246395 /nfs/dbraw/zinc/24/63/95/557246395.db2.gz SLRGJOBCFWDFBY-AFMDSPMNSA-N 0 0 414.936 6.628 50 30 HKEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000001217393 557246556 /nfs/dbraw/zinc/24/65/56/557246556.db2.gz OVHOKPCVQMYTMJ-CMJOXMDJSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000001217394 557246617 /nfs/dbraw/zinc/24/66/17/557246617.db2.gz OVHOKPCVQMYTMJ-IQMFZBJNSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000001217395 557246532 /nfs/dbraw/zinc/24/65/32/557246532.db2.gz OVHOKPCVQMYTMJ-WNSKOXEYSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000001217396 557246571 /nfs/dbraw/zinc/24/65/71/557246571.db2.gz OVHOKPCVQMYTMJ-NPMXOYFQSA-N 0 0 401.422 5.167 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@@H]2c1ccc(F)cc1 ZINC000001217425 557246599 /nfs/dbraw/zinc/24/65/99/557246599.db2.gz INBARELUFGZXRM-HSZRJFAPSA-N 0 0 404.485 5.379 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@H]2c1ccc(F)cc1 ZINC000001217426 557246563 /nfs/dbraw/zinc/24/65/63/557246563.db2.gz INBARELUFGZXRM-QHCPKHFHSA-N 0 0 404.485 5.379 50 30 HKEARN O=C1CC(c2cccc(Cl)c2)CC(=O)C1=CNc1ccc(Br)cc1 ZINC000001218701 526962124 /nfs/dbraw/zinc/96/21/24/526962124.db2.gz FQYGOLBDRWZXLQ-UHFFFAOYSA-N 0 0 404.691 5.114 50 30 HKEARN Cc1ccc2sc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)nc2c1 ZINC000001223893 568839918 /nfs/dbraw/zinc/83/99/18/568839918.db2.gz APBRHGZSDRCFBA-UHFFFAOYSA-N 0 0 404.520 5.064 50 30 HKEARN Cc1nc2cc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)ccc2s1 ZINC000001223894 568839904 /nfs/dbraw/zinc/83/99/04/568839904.db2.gz GWRCDBAKDMWAFP-UHFFFAOYSA-N 0 0 404.520 5.064 50 30 aggregator HKEARN COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001226857 557248875 /nfs/dbraw/zinc/24/88/75/557248875.db2.gz QZNQOJAROOGMCR-UHFFFAOYSA-N 0 0 410.510 5.104 50 30 HKEARN Oc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(O)c4O)cc3)cc2)c1O ZINC000001227118 568862618 /nfs/dbraw/zinc/86/26/18/568862618.db2.gz DBBMIDUMZZIYEM-DPCVLPDWSA-N 0 0 424.456 5.677 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000001227800 568867788 /nfs/dbraw/zinc/86/77/88/568867788.db2.gz FYSVTOIULMTRSN-VXNXHJTFSA-N 0 0 421.525 5.341 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccncc1)CCCC2 ZINC000001232524 568880481 /nfs/dbraw/zinc/88/04/81/568880481.db2.gz CYUQSUBURGYHET-UHFFFAOYSA-N 0 0 419.937 5.522 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 ZINC000001232563 568880486 /nfs/dbraw/zinc/88/04/86/568880486.db2.gz LSKCADFOASTKFB-HSZRJFAPSA-N 0 0 404.307 6.276 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 ZINC000001232564 568880595 /nfs/dbraw/zinc/88/05/95/568880595.db2.gz LSKCADFOASTKFB-QHCPKHFHSA-N 0 0 404.307 6.276 50 30 HKEARN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001232566 568880487 /nfs/dbraw/zinc/88/04/87/568880487.db2.gz SLONLIKOFCAAAE-UHFFFAOYSA-N 0 0 421.581 5.933 50 30 HKEARN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(Oc3ncccc3C#N)cc21 ZINC000001233997 568877351 /nfs/dbraw/zinc/87/73/51/568877351.db2.gz RJGKUWDXVSPHHW-UHFFFAOYSA-N 0 0 411.461 5.483 50 30 HKEARN COc1cc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC(C)=O ZINC000001234405 557250320 /nfs/dbraw/zinc/25/03/20/557250320.db2.gz KGFXXILUDXULKR-AFUMVMLFSA-N 0 0 407.853 5.256 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001241430 525397883 /nfs/dbraw/zinc/39/78/83/525397883.db2.gz CILWCJWWYJOFTR-WXTAPIANSA-N 0 0 414.480 5.814 50 30 HKEARN C=C(C)CSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 ZINC000001242211 568908236 /nfs/dbraw/zinc/90/82/36/568908236.db2.gz PBKMGRNXMYCUOM-UHFFFAOYSA-N 0 0 409.584 5.558 50 30 HKEARN O=c1c(/C=N/c2ccc(Cl)cc2)c(Nc2ccc(Cl)cc2)nc2ccccn12 ZINC000001244192 568908477 /nfs/dbraw/zinc/90/84/77/568908477.db2.gz JGGZKSRJSHJOJF-ZMOGYAJESA-N 0 0 409.276 5.496 50 30 HKEARN CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000001245174 557251188 /nfs/dbraw/zinc/25/11/88/557251188.db2.gz QWCXDOPBCSTBKQ-DEOSSOPVSA-N 0 0 404.510 5.248 50 30 HKEARN CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000001245175 557251073 /nfs/dbraw/zinc/25/10/73/557251073.db2.gz QWCXDOPBCSTBKQ-XMMPIXPASA-N 0 0 404.510 5.248 50 30 HKEARN C=C(C)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 ZINC000001246703 568908597 /nfs/dbraw/zinc/90/85/97/568908597.db2.gz JJXJLKXCUAJBCO-UHFFFAOYSA-N 0 0 423.611 5.633 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 ZINC000001248593 557251390 /nfs/dbraw/zinc/25/13/90/557251390.db2.gz UDXFRLMNOGELRN-NFQMXDRXSA-N 0 0 410.517 5.983 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 ZINC000001248594 557251430 /nfs/dbraw/zinc/25/14/30/557251430.db2.gz UDXFRLMNOGELRN-CCLHPLFOSA-N 0 0 410.517 5.983 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 ZINC000001248595 557251434 /nfs/dbraw/zinc/25/14/34/557251434.db2.gz UDXFRLMNOGELRN-HRFSGMKKSA-N 0 0 410.517 5.983 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 ZINC000001248596 524130298 /nfs/dbraw/zinc/13/02/98/524130298.db2.gz UDXFRLMNOGELRN-DCFHFQCYSA-N 0 0 410.517 5.983 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001250079 518624450 /nfs/dbraw/zinc/62/44/50/518624450.db2.gz UBIDOWJPABEXHH-UHFFFAOYSA-N 0 0 412.580 5.275 50 30 HKEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000001253876 568908848 /nfs/dbraw/zinc/90/88/48/568908848.db2.gz DPGIQYXAPPNCOK-UHFFFAOYSA-N 0 0 400.891 5.143 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000001254680 557251731 /nfs/dbraw/zinc/25/17/31/557251731.db2.gz VATHCBGDQMOEST-NRFANRHFSA-N 0 0 411.343 5.979 50 30 HKEARN CC[C@H](C)c1ccc(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000001255775 571309624 /nfs/dbraw/zinc/30/96/24/571309624.db2.gz QGROXQTVNRVRMD-WLXKGNRNSA-N 0 0 418.566 6.136 50 30 HKEARN COc1ccccc1C(=O)Oc1ccc(C)cc1/C=C1\Sc2ccccc2C1=O ZINC000001260208 568909169 /nfs/dbraw/zinc/90/91/69/568909169.db2.gz ALYYNELROQSOMW-HMAPJEAMSA-N 0 0 402.471 5.552 50 30 HKEARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001260308 557252142 /nfs/dbraw/zinc/25/21/42/557252142.db2.gz AWWATDZFLOGHEN-XMMPIXPASA-N 0 0 406.526 5.543 50 30 HKEARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001260309 525266881 /nfs/dbraw/zinc/26/68/81/525266881.db2.gz AWWATDZFLOGHEN-DEOSSOPVSA-N 0 0 406.526 5.543 50 30 HKEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000001261938 526965791 /nfs/dbraw/zinc/96/57/91/526965791.db2.gz BNIDZXQJBOWZRK-XMMPIXPASA-N 0 0 403.481 6.230 50 30 HKEARN COc1ccc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001262488 568909339 /nfs/dbraw/zinc/90/93/39/568909339.db2.gz DXEDTCZNUOQJAS-XMMPIXPASA-N 0 0 406.526 5.543 50 30 HKEARN COc1ccc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001262489 568909278 /nfs/dbraw/zinc/90/92/78/568909278.db2.gz DXEDTCZNUOQJAS-DEOSSOPVSA-N 0 0 406.526 5.543 50 30 HKEARN CC(C)c1ccc(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000001266901 571306507 /nfs/dbraw/zinc/30/65/07/571306507.db2.gz JLDSKUMFEOPFPB-LFVJCYFKSA-N 0 0 404.539 5.746 50 30 HKEARN CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000001268044 568909506 /nfs/dbraw/zinc/90/95/06/568909506.db2.gz XWRIRNOWANNYKN-FQEVSTJZSA-N 0 0 401.531 5.921 50 30 HKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000001277805 557253223 /nfs/dbraw/zinc/25/32/23/557253223.db2.gz TURVVFMMEJCZTM-CMJOXMDJSA-N 0 0 415.493 5.653 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000001277806 557253147 /nfs/dbraw/zinc/25/31/47/557253147.db2.gz TURVVFMMEJCZTM-NPMXOYFQSA-N 0 0 415.493 5.653 50 30 HKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000001277807 557253292 /nfs/dbraw/zinc/25/32/92/557253292.db2.gz TURVVFMMEJCZTM-IQMFZBJNSA-N 0 0 415.493 5.653 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccccc3)C12 ZINC000001282919 557253665 /nfs/dbraw/zinc/25/36/65/557253665.db2.gz OEMXAAFSPYDDJW-FQEVSTJZSA-N 0 0 422.941 5.246 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccccc3)C12 ZINC000001282920 526967578 /nfs/dbraw/zinc/96/75/78/526967578.db2.gz OEMXAAFSPYDDJW-HXUWFJFHSA-N 0 0 422.941 5.246 50 30 HKEARN Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc(Br)ccc1O ZINC000001293919 568912994 /nfs/dbraw/zinc/91/29/94/568912994.db2.gz MFERJPDLLIEPSR-FOKLQQMPSA-N 0 0 408.255 5.417 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCc2cccnc2)c1Cc1ccccc1 ZINC000001299564 568913387 /nfs/dbraw/zinc/91/33/87/568913387.db2.gz KAZHQLVLRUDMNS-UHFFFAOYSA-N 0 0 403.489 5.266 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000001307699 557254541 /nfs/dbraw/zinc/25/45/41/557254541.db2.gz OQLDTINGYXKBEQ-NSYGIPOTSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000001307701 557254478 /nfs/dbraw/zinc/25/44/78/557254478.db2.gz OQLDTINGYXKBEQ-CRICUBBOSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000001310727 568913878 /nfs/dbraw/zinc/91/38/78/568913878.db2.gz ZYMCLTCVNSEGKS-PSLXWICFSA-N 0 0 419.412 5.306 50 30 HKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000001310728 568913879 /nfs/dbraw/zinc/91/38/79/568913879.db2.gz ZYMCLTCVNSEGKS-FATZIPQQSA-N 0 0 419.412 5.306 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000001310729 568913863 /nfs/dbraw/zinc/91/38/63/568913863.db2.gz ZYMCLTCVNSEGKS-LFVRLGFBSA-N 0 0 419.412 5.306 50 30 HKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000001310730 568913885 /nfs/dbraw/zinc/91/38/85/568913885.db2.gz ZYMCLTCVNSEGKS-QKFKETGDSA-N 0 0 419.412 5.306 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000001321847 525860903 /nfs/dbraw/zinc/86/09/03/525860903.db2.gz QHNQBAMOGQQNIY-QYBDOPJKSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000001321848 526042932 /nfs/dbraw/zinc/04/29/32/526042932.db2.gz QHNQBAMOGQQNIY-HFJWLAOPSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 ZINC000001321849 525860786 /nfs/dbraw/zinc/86/07/86/525860786.db2.gz QHNQBAMOGQQNIY-DWXRJYCRSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 ZINC000001321850 526043037 /nfs/dbraw/zinc/04/30/37/526043037.db2.gz QHNQBAMOGQQNIY-WXTAPIANSA-N 0 0 414.936 6.628 50 30 HKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001322487 525269047 /nfs/dbraw/zinc/26/90/47/525269047.db2.gz WEHSKHLHDQTKQO-SANMLTNESA-N 0 0 413.517 6.167 50 30 biogenic HKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001322488 568914798 /nfs/dbraw/zinc/91/47/98/568914798.db2.gz WEHSKHLHDQTKQO-AREMUKBSSA-N 0 0 413.517 6.167 50 30 biogenic HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000001322884 569060364 /nfs/dbraw/zinc/06/03/64/569060364.db2.gz UCEMHUZFLQDYNV-AVRDEDQJSA-N 0 0 406.570 5.859 50 30 biogenic HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@H]1CC=C(C)C1(C)C ZINC000001322885 569060403 /nfs/dbraw/zinc/06/04/03/569060403.db2.gz UCEMHUZFLQDYNV-GCJKJVERSA-N 0 0 406.570 5.859 50 30 biogenic HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000001322886 569060371 /nfs/dbraw/zinc/06/03/71/569060371.db2.gz UCEMHUZFLQDYNV-PGRDOPGGSA-N 0 0 406.570 5.859 50 30 biogenic HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@H]1CC=C(C)C1(C)C ZINC000001322887 569060370 /nfs/dbraw/zinc/06/03/70/569060370.db2.gz UCEMHUZFLQDYNV-XMSQKQJNSA-N 0 0 406.570 5.859 50 30 biogenic HKEARN COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccc(Cl)cc3)c(C(C)=O)n1CC2 ZINC000001323905 557255284 /nfs/dbraw/zinc/25/52/84/557255284.db2.gz ANWMMDGGMNIZNA-UHFFFAOYSA-N 0 0 406.869 5.123 50 30 HKEARN Cc1c(C#N)c(Sc2ccccc2NC(=O)c2cccs2)nc2ccccc12 ZINC000001324166 568914124 /nfs/dbraw/zinc/91/41/24/568914124.db2.gz KXIGURQTBPECSS-UHFFFAOYSA-N 0 0 401.516 5.880 50 30 HKEARN N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1-n1cccc1 ZINC000001382842 568921825 /nfs/dbraw/zinc/92/18/25/568921825.db2.gz YUMIWMOSNFPMDM-UHFFFAOYSA-N 0 0 403.894 6.038 50 30 HKEARN N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccc(Cl)nc2)c1 ZINC000001383056 568921867 /nfs/dbraw/zinc/92/18/67/568921867.db2.gz VDFMFWQGWBZINQ-UHFFFAOYSA-N 0 0 400.290 5.664 50 30 HKEARN N#Cc1c(Cl)nc(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000001383188 568922053 /nfs/dbraw/zinc/92/20/53/568922053.db2.gz MEUSRFIXXVCSRT-UHFFFAOYSA-N 0 0 405.832 5.980 50 30 HKEARN Cc1ccc(-c2nc(SCc3ccccc3)nc(N3CCCCC3)c2C#N)cc1 ZINC000001383230 132245362 /nfs/dbraw/zinc/24/53/62/132245362.db2.gz CLUJZJUNSYHCMB-UHFFFAOYSA-N 0 0 400.551 5.606 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)C(Cc2ccccn2)=C3c2ccccc2)cc1 ZINC000001383482 568921823 /nfs/dbraw/zinc/92/18/23/568921823.db2.gz IPDWGAGXUNFSKP-UHFFFAOYSA-N 0 0 419.480 6.123 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)C(Cc2ccncc2)=C3c2ccccc2)cc1 ZINC000001383483 568921838 /nfs/dbraw/zinc/92/18/38/568921838.db2.gz JHWUXSBFAQTPCB-UHFFFAOYSA-N 0 0 419.480 6.123 50 30 HKEARN N#Cc1c2ccc(Oc3ccc([N+](=O)[O-])cc3Br)cc2n2ccccc12 ZINC000001383662 568922059 /nfs/dbraw/zinc/92/20/59/568922059.db2.gz JAXOGDSMZLSLMR-UHFFFAOYSA-N 0 0 408.211 5.427 50 30 HKEARN O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)cc1Cl ZINC000001384872 568922258 /nfs/dbraw/zinc/92/22/58/568922258.db2.gz HDQMNBYDRHAEFT-SSDVNMTOSA-N 0 0 416.289 5.561 50 30 HKEARN O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1cccc(C(F)(F)F)c1 ZINC000001384874 526412513 /nfs/dbraw/zinc/41/25/13/526412513.db2.gz HLNUYBFOLXFRKG-WYMPLXKRSA-N 0 0 415.396 5.273 50 30 HKEARN N#Cc1c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12 ZINC000001384876 568922186 /nfs/dbraw/zinc/92/21/86/568922186.db2.gz FJHFUGOGSYYQSC-UHFFFAOYSA-N 0 0 407.364 5.597 50 30 HKEARN O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)c(Cl)c1 ZINC000001384888 568922202 /nfs/dbraw/zinc/92/22/02/568922202.db2.gz BWZCOAZDTCAAEZ-SSDVNMTOSA-N 0 0 416.289 5.561 50 30 HKEARN N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)cn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001385655 568922357 /nfs/dbraw/zinc/92/23/57/568922357.db2.gz RDGPRFJOKJPTQU-UHFFFAOYSA-N 0 0 424.209 5.495 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@H]2C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001389526 523770314 /nfs/dbraw/zinc/77/03/14/523770314.db2.gz JCTNEVXAUVWPEL-NOBPMBFOSA-N 0 0 401.462 5.069 50 30 HKEARN COc1ccc([C@@H](C#N)c2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000001389530 568923474 /nfs/dbraw/zinc/92/34/74/568923474.db2.gz DTSHWHKHOGUNEM-CYBMUJFWSA-N 0 0 411.305 5.331 50 30 HKEARN COc1ccc([C@H](C#N)c2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000001389531 568923400 /nfs/dbraw/zinc/92/34/00/568923400.db2.gz DTSHWHKHOGUNEM-ZDUSSCGKSA-N 0 0 411.305 5.331 50 30 HKEARN N#Cc1c(Oc2ccc(F)cc2F)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000001389591 568923437 /nfs/dbraw/zinc/92/34/37/568923437.db2.gz UMXYKVWUTJCNJF-UHFFFAOYSA-N 0 0 410.729 6.363 50 30 HKEARN COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001389885 568923479 /nfs/dbraw/zinc/92/34/79/568923479.db2.gz VCSLESUINQAAOP-UHFFFAOYSA-N 0 0 408.889 5.331 50 30 aggregator HKEARN COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001389886 568923377 /nfs/dbraw/zinc/92/33/77/568923377.db2.gz MZZHSRKYPOZOSH-UHFFFAOYSA-N 0 0 408.889 5.331 50 30 HKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCC(=O)c1ccc(Cl)cc1)CCC2 ZINC000001390270 568924321 /nfs/dbraw/zinc/92/43/21/568924321.db2.gz KKELOISTEMIFFN-UHFFFAOYSA-N 0 0 404.922 5.737 50 30 HKEARN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)CC(=O)[C@H]3n3cncn3)c2)cc1 ZINC000001390423 568924334 /nfs/dbraw/zinc/92/43/34/568924334.db2.gz AMDZKBBKTDMZPP-GGAORHGYSA-N 0 0 403.482 5.108 50 30 HKEARN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)CC(=O)[C@H]3n3cncn3)c2)cc1 ZINC000001390424 568924297 /nfs/dbraw/zinc/92/42/97/568924297.db2.gz AMDZKBBKTDMZPP-GMAHTHKFSA-N 0 0 403.482 5.108 50 30 HKEARN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)CC(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000001390425 519043900 /nfs/dbraw/zinc/04/39/00/519043900.db2.gz AMDZKBBKTDMZPP-FYYLOGMGSA-N 0 0 403.482 5.108 50 30 HKEARN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)CC(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000001390426 519041357 /nfs/dbraw/zinc/04/13/57/519041357.db2.gz AMDZKBBKTDMZPP-JTHBVZDNSA-N 0 0 403.482 5.108 50 30 HKEARN FC(F)(F)c1cnc(C(=NCc2cccs2)NCc2cccs2)c(Cl)c1 ZINC000001391392 568924571 /nfs/dbraw/zinc/92/45/71/568924571.db2.gz FLFUPLHMXBLERI-UHFFFAOYSA-N 0 0 415.893 5.613 50 30 HKEARN C/C(=N\OCc1cccc(C(F)(F)F)c1)c1sc2nc3ccccc3n2c1C ZINC000001394358 568925715 /nfs/dbraw/zinc/92/57/15/568925715.db2.gz YZQAJVWVORLJFU-BRJLIKDPSA-N 0 0 403.429 5.817 50 30 HKEARN Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000001394703 568925138 /nfs/dbraw/zinc/92/51/38/568925138.db2.gz RLBLNMQNYASFHY-QZTJIDSGSA-N 0 0 403.894 5.402 50 30 HKEARN Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000001394704 568925247 /nfs/dbraw/zinc/92/52/47/568925247.db2.gz RLBLNMQNYASFHY-MSOLQXFVSA-N 0 0 403.894 5.402 50 30 HKEARN Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000001394705 568925186 /nfs/dbraw/zinc/92/51/86/568925186.db2.gz RLBLNMQNYASFHY-ZWKOTPCHSA-N 0 0 403.894 5.402 50 30 HKEARN Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000001394706 568925121 /nfs/dbraw/zinc/92/51/21/568925121.db2.gz RLBLNMQNYASFHY-ROUUACIJSA-N 0 0 403.894 5.402 50 30 HKEARN N#Cc1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000001395069 568925391 /nfs/dbraw/zinc/92/53/91/568925391.db2.gz WZKKMMBJIOLMKT-UHFFFAOYSA-N 0 0 411.446 5.137 50 30 HKEARN COc1ccc(Oc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cc2C#N)cc1 ZINC000001396828 568926511 /nfs/dbraw/zinc/92/65/11/568926511.db2.gz YSLDJLCFVMOZFW-UHFFFAOYSA-N 0 0 405.763 5.488 50 30 HKEARN N#Cc1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000001398602 568925859 /nfs/dbraw/zinc/92/58/59/568925859.db2.gz RBXOGBNPLOKCCQ-UHFFFAOYSA-N 0 0 402.803 5.795 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1-c1ccc(Br)cc1 ZINC000001398721 568925845 /nfs/dbraw/zinc/92/58/45/568925845.db2.gz ZJXOFDZNAQQZRN-UHFFFAOYSA-N 0 0 409.230 6.130 50 30 HKEARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2C=NOC(=O)Nc1cccc(C)c1 ZINC000001402732 525608699 /nfs/dbraw/zinc/60/86/99/525608699.db2.gz HTLJEXJSQYZLNX-AFUMVMLFSA-N 0 0 418.884 5.854 50 30 HKEARN COc1cccc(C(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3cc(C)ccn32)c1 ZINC000001402736 525838320 /nfs/dbraw/zinc/83/83/20/525838320.db2.gz FPBMMIXRIGQGDC-AFUMVMLFSA-N 0 0 419.868 5.163 50 30 HKEARN O=C(O/N=C/c1c(-c2ccccc2)nc2ccc(Cl)cn21)c1ccc(Cl)cc1 ZINC000001402740 568927560 /nfs/dbraw/zinc/92/75/60/568927560.db2.gz MUNMRGJJSBRVKF-WYMPLXKRSA-N 0 0 410.260 5.499 50 30 HKEARN N#Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(NC(=O)Nc2ccccc2)c1 ZINC000001403996 568927868 /nfs/dbraw/zinc/92/78/68/568927868.db2.gz IBCFYEUDUHJUJN-UHFFFAOYSA-N 0 0 413.424 6.372 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000001409057 557259071 /nfs/dbraw/zinc/25/90/71/557259071.db2.gz NXHPSNWSVPMTKE-HRFSGMKKSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000001409058 557259007 /nfs/dbraw/zinc/25/90/07/557259007.db2.gz NXHPSNWSVPMTKE-NFQMXDRXSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2cccs2)cc1 ZINC000001412681 557259552 /nfs/dbraw/zinc/25/95/52/557259552.db2.gz YBZGUUWBSAXTRF-GKVSMKOHSA-N 0 0 416.546 6.045 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2cccs2)cc1 ZINC000001412682 557259602 /nfs/dbraw/zinc/25/96/02/557259602.db2.gz YBZGUUWBSAXTRF-NSYGIPOTSA-N 0 0 416.546 6.045 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2cccs2)cc1 ZINC000001412683 557259635 /nfs/dbraw/zinc/25/96/35/557259635.db2.gz YBZGUUWBSAXTRF-SSOJOUAXSA-N 0 0 416.546 6.045 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2cccs2)cc1 ZINC000001412684 557259652 /nfs/dbraw/zinc/25/96/52/557259652.db2.gz YBZGUUWBSAXTRF-CRICUBBOSA-N 0 0 416.546 6.045 50 30 HKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000001413003 557259573 /nfs/dbraw/zinc/25/95/73/557259573.db2.gz QQUBFAWTJTXZQP-AFMDSPMNSA-N 0 0 414.574 6.532 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ccccc31)N2 ZINC000001421432 568938131 /nfs/dbraw/zinc/93/81/31/568938131.db2.gz NUBAREWRHWTZRW-IQGLISFBSA-N 0 0 407.469 6.097 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ccccc31)N2 ZINC000001421433 568938030 /nfs/dbraw/zinc/93/80/30/568938030.db2.gz NUBAREWRHWTZRW-CJAUYULYSA-N 0 0 407.469 6.097 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ccccc31)N2 ZINC000001421434 568938136 /nfs/dbraw/zinc/93/81/36/568938136.db2.gz NUBAREWRHWTZRW-AVRWGWEMSA-N 0 0 407.469 6.097 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ccccc31)N2 ZINC000001421435 568938121 /nfs/dbraw/zinc/93/81/21/568938121.db2.gz NUBAREWRHWTZRW-BVZFJXPGSA-N 0 0 407.469 6.097 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)c1c(ccc3ccccc31)N2 ZINC000001421437 568938171 /nfs/dbraw/zinc/93/81/71/568938171.db2.gz HLSWNAXHUVBAMX-WGDIFIGCSA-N 0 0 409.460 6.530 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)c1c(ccc3ccccc31)N2 ZINC000001421438 568938168 /nfs/dbraw/zinc/93/81/68/568938168.db2.gz HLSWNAXHUVBAMX-QUGAMOGWSA-N 0 0 409.460 6.530 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)c1c(ccc3ccccc31)N2 ZINC000001421439 568938158 /nfs/dbraw/zinc/93/81/58/568938158.db2.gz HLSWNAXHUVBAMX-MRDQGFSESA-N 0 0 409.460 6.530 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)c1c(ccc3ccccc31)N2 ZINC000001421440 568938173 /nfs/dbraw/zinc/93/81/73/568938173.db2.gz HLSWNAXHUVBAMX-QLXKLKPCSA-N 0 0 409.460 6.530 50 30 HKEARN Cc1ccc(/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1C ZINC000001421508 568938132 /nfs/dbraw/zinc/93/81/32/568938132.db2.gz WUXFRUVZNVUVRF-SRZZPIQSSA-N 0 0 409.492 6.316 50 30 HKEARN Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1C ZINC000001422523 527016158 /nfs/dbraw/zinc/01/61/58/527016158.db2.gz WHXOJURWXSWCAA-UHFFFAOYSA-N 0 0 401.535 5.204 50 30 HKEARN COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001423236 568938633 /nfs/dbraw/zinc/93/86/33/568938633.db2.gz YOORQQWKEIUULV-QFIPXVFZSA-N 0 0 400.478 5.150 50 30 HKEARN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001423237 522933929 /nfs/dbraw/zinc/93/39/29/522933929.db2.gz YOORQQWKEIUULV-JOCHJYFZSA-N 0 0 400.478 5.150 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000001423468 521245069 /nfs/dbraw/zinc/24/50/69/521245069.db2.gz AIBKLJWWFHCSKX-VWLOTQADSA-N 0 0 400.478 5.316 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000001423469 521274235 /nfs/dbraw/zinc/27/42/35/521274235.db2.gz AIBKLJWWFHCSKX-RUZDIDTESA-N 0 0 400.478 5.316 50 30 HKEARN Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1Cl ZINC000001423818 568938627 /nfs/dbraw/zinc/93/86/27/568938627.db2.gz GXRUIGLHQNFFAN-UHFFFAOYSA-N 0 0 421.953 5.549 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001424236 568938853 /nfs/dbraw/zinc/93/88/53/568938853.db2.gz HZVDEMRGSWVDOK-FYSMJZIKSA-N 0 0 408.457 5.492 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001424237 568938891 /nfs/dbraw/zinc/93/88/91/568938891.db2.gz HZVDEMRGSWVDOK-UPCLLVRISA-N 0 0 408.457 5.492 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001424238 527032689 /nfs/dbraw/zinc/03/26/89/527032689.db2.gz HZVDEMRGSWVDOK-GYCJOSAFSA-N 0 0 408.457 5.492 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000001424239 568938799 /nfs/dbraw/zinc/93/87/99/568938799.db2.gz HZVDEMRGSWVDOK-VOIUYBSRSA-N 0 0 408.457 5.492 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2[N+](=O)[O-])cc1 ZINC000001424889 568938802 /nfs/dbraw/zinc/93/88/02/568938802.db2.gz IDABCGWWJUEHRP-YDZHTSKRSA-N 0 0 410.813 5.227 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 ZINC000001424891 568938791 /nfs/dbraw/zinc/93/87/91/568938791.db2.gz WWOPPIJCJMXRMJ-ZVHZXABRSA-N 0 0 404.422 5.190 50 30 HKEARN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)c(C#N)c(C)c1Cl ZINC000001425737 568939051 /nfs/dbraw/zinc/93/90/51/568939051.db2.gz BVEJLQSBCBOFCX-UHFFFAOYSA-N 0 0 400.718 5.261 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000001426655 557261781 /nfs/dbraw/zinc/26/17/81/557261781.db2.gz LBFDXUCESQGGAU-DEOSSOPVSA-N 0 0 406.526 5.706 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000001426656 521274392 /nfs/dbraw/zinc/27/43/92/521274392.db2.gz LBFDXUCESQGGAU-XMMPIXPASA-N 0 0 406.526 5.706 50 30 HKEARN Cc1ccn(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 ZINC000001427007 568936205 /nfs/dbraw/zinc/93/62/05/568936205.db2.gz QCJXTCKHBCDDBX-UHFFFAOYSA-N 0 0 410.502 5.456 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000001428682 557262106 /nfs/dbraw/zinc/26/21/06/557262106.db2.gz QCOGIDUTDDORPW-NRFANRHFSA-N 0 0 411.343 5.979 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000001428683 526043487 /nfs/dbraw/zinc/04/34/87/526043487.db2.gz QCOGIDUTDDORPW-OAQYLSRUSA-N 0 0 411.343 5.979 50 30 HKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000001428688 557262010 /nfs/dbraw/zinc/26/20/10/557262010.db2.gz GJNQBBLLFUEHAT-DEOSSOPVSA-N 0 0 406.526 5.704 50 30 HKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000001428689 522965769 /nfs/dbraw/zinc/96/57/69/522965769.db2.gz GJNQBBLLFUEHAT-XMMPIXPASA-N 0 0 406.526 5.704 50 30 HKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C ZINC000001428690 557261979 /nfs/dbraw/zinc/26/19/79/557261979.db2.gz KHAFTCFWZDEMAH-QHCPKHFHSA-N 0 0 406.526 5.704 50 30 HKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C ZINC000001428691 524186031 /nfs/dbraw/zinc/18/60/31/524186031.db2.gz KHAFTCFWZDEMAH-HSZRJFAPSA-N 0 0 406.526 5.704 50 30 HKEARN Cc1ncc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)o1 ZINC000001428912 568939522 /nfs/dbraw/zinc/93/95/22/568939522.db2.gz ISMOGLVMYBYGIU-UHFFFAOYSA-N 0 0 411.486 5.925 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccccc3F)C3=C1CCCC3=O)CCCC2 ZINC000001430896 568939923 /nfs/dbraw/zinc/93/99/23/568939923.db2.gz YRSBPQQRHZRYFD-MRXNPFEDSA-N 0 0 420.509 5.165 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccccc3F)C3=C1CCCC3=O)CCCC2 ZINC000001430897 568939949 /nfs/dbraw/zinc/93/99/49/568939949.db2.gz YRSBPQQRHZRYFD-INIZCTEOSA-N 0 0 420.509 5.165 50 30 HKEARN Brc1ccc(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000001431053 518208179 /nfs/dbraw/zinc/20/81/79/518208179.db2.gz IZQYUQYNQKVONU-FOKLQQMPSA-N 0 0 421.250 5.737 50 30 HKEARN Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(O)c1 ZINC000001431059 568940017 /nfs/dbraw/zinc/94/00/17/568940017.db2.gz BDQMLQSIFFYOPW-SSDVNMTOSA-N 0 0 409.239 5.419 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(N(C)C)cc2)C1C(=O)c1ccccc1 ZINC000001431389 520826950 /nfs/dbraw/zinc/82/69/50/520826950.db2.gz SBIPOIDOYDNSCA-XMMPIXPASA-N 0 0 408.505 5.274 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N(C)C)cc2)C1C(=O)c1ccccc1 ZINC000001431390 557262284 /nfs/dbraw/zinc/26/22/84/557262284.db2.gz SBIPOIDOYDNSCA-DEOSSOPVSA-N 0 0 408.505 5.274 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](c3cccs3)C3=C1CCCC3=O)CCCCC2 ZINC000001432335 568941062 /nfs/dbraw/zinc/94/10/62/568941062.db2.gz IMDSMJURPQMSIS-OAHLLOKOSA-N 0 0 422.575 5.478 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](c3cccs3)C3=C1CCCC3=O)CCCCC2 ZINC000001432336 526532208 /nfs/dbraw/zinc/53/22/08/526532208.db2.gz IMDSMJURPQMSIS-HNNXBMFYSA-N 0 0 422.575 5.478 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001433913 568941569 /nfs/dbraw/zinc/94/15/69/568941569.db2.gz CLAUWUSTENODKO-FOKLQQMPSA-N 0 0 411.230 5.853 50 30 HKEARN Oc1c(F)cccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001434405 568942132 /nfs/dbraw/zinc/94/21/32/568942132.db2.gz YBISZQDHJIYGKZ-FOKLQQMPSA-N 0 0 411.230 5.853 50 30 HKEARN Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000001434411 568942100 /nfs/dbraw/zinc/94/21/00/568942100.db2.gz BEMVKXCZQGMMLJ-FOKLQQMPSA-N 0 0 411.230 5.853 50 30 HKEARN Cc1cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c(O)c(Br)c1C ZINC000001434467 526095091 /nfs/dbraw/zinc/09/50/91/526095091.db2.gz YPCNIPQWSXTWGW-BHGWPJFGSA-N 0 0 422.282 5.725 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 ZINC000001434722 557262892 /nfs/dbraw/zinc/26/28/92/557262892.db2.gz XRQFXOGDPUKNJS-AFMDSPMNSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 ZINC000001434723 557263013 /nfs/dbraw/zinc/26/30/13/557263013.db2.gz XRQFXOGDPUKNJS-NIYFSFCBSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 ZINC000001434724 557263001 /nfs/dbraw/zinc/26/30/01/557263001.db2.gz XRQFXOGDPUKNJS-SIBVEZHUSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 ZINC000001434725 557262901 /nfs/dbraw/zinc/26/29/01/557262901.db2.gz XRQFXOGDPUKNJS-BCHFMIIMSA-N 0 0 414.936 6.628 50 30 HKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000001434746 557262970 /nfs/dbraw/zinc/26/29/70/557262970.db2.gz LTSKAIJWRUYIQE-NGOKVRLYSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000001434747 521590096 /nfs/dbraw/zinc/59/00/96/521590096.db2.gz LTSKAIJWRUYIQE-PIIWDFAUSA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000001434748 557262894 /nfs/dbraw/zinc/26/28/94/557262894.db2.gz LTSKAIJWRUYIQE-MMTVBGGISA-N 0 0 424.544 6.373 50 30 HKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 ZINC000001434749 557263017 /nfs/dbraw/zinc/26/30/17/557263017.db2.gz LTSKAIJWRUYIQE-WTYVLRPYSA-N 0 0 424.544 6.373 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 ZINC000001434802 557262906 /nfs/dbraw/zinc/26/29/06/557262906.db2.gz VAHFXAKKGRJRCZ-MRDQGFSESA-N 0 0 416.471 6.253 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 ZINC000001434803 557262987 /nfs/dbraw/zinc/26/29/87/557262987.db2.gz VAHFXAKKGRJRCZ-WGDIFIGCSA-N 0 0 416.471 6.253 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 ZINC000001434804 557262954 /nfs/dbraw/zinc/26/29/54/557262954.db2.gz VAHFXAKKGRJRCZ-QLXKLKPCSA-N 0 0 416.471 6.253 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 ZINC000001434805 525987008 /nfs/dbraw/zinc/98/70/08/525987008.db2.gz VAHFXAKKGRJRCZ-QUGAMOGWSA-N 0 0 416.471 6.253 50 30 HKEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000001434866 568942645 /nfs/dbraw/zinc/94/26/45/568942645.db2.gz LABMDBKANIVHOJ-LPYMAVHISA-N 0 0 411.255 5.687 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 ZINC000001434917 524085638 /nfs/dbraw/zinc/08/56/38/524085638.db2.gz VXFMNDLKDUXZJF-FOKLQQMPSA-N 0 0 401.378 5.191 50 30 HKEARN Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc21 ZINC000001435357 568951721 /nfs/dbraw/zinc/95/17/21/568951721.db2.gz AKMUWRPMJHMQBQ-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)c1 ZINC000001435393 526953326 /nfs/dbraw/zinc/95/33/26/526953326.db2.gz YIODAQAFJNROTP-YSURURNPSA-N 0 0 411.244 6.281 50 30 HKEARN CC(C)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001435456 568951702 /nfs/dbraw/zinc/95/17/02/568951702.db2.gz IQPZQUVSRDQTLZ-UHFFFAOYSA-N 0 0 407.554 5.447 50 30 HKEARN Cc1ccc(O)c(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000001435668 568951712 /nfs/dbraw/zinc/95/17/12/568951712.db2.gz JAWIQXPRFCCOSO-YDZHTSKRSA-N 0 0 410.267 5.433 50 30 HKEARN CC(=O)c1ccc(N=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001435670 568951668 /nfs/dbraw/zinc/95/16/68/568951668.db2.gz YXGTYXMKIWEDSC-ZVHZXABRSA-N 0 0 422.278 5.622 50 30 HKEARN COc1cccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)c1 ZINC000001435692 568951856 /nfs/dbraw/zinc/95/18/56/568951856.db2.gz UVVWBFKFUFHQAO-BRJLIKDPSA-N 0 0 406.869 6.230 50 30 HKEARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3ccc(C)cc3)cc2)cc1OC ZINC000001435722 568951900 /nfs/dbraw/zinc/95/19/00/568951900.db2.gz BGSDUDVJUZQVFQ-WGICJODHSA-N 0 0 401.462 5.382 50 30 biogenic HKEARN COc1ccc(-c2oc(NC(=O)C(F)(F)F)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000001436311 568955062 /nfs/dbraw/zinc/95/50/62/568955062.db2.gz JYMOACSFGZCDHZ-UHFFFAOYSA-N 0 0 416.355 5.003 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c(O)ccc2ccccc21 ZINC000001436935 520268187 /nfs/dbraw/zinc/26/81/87/520268187.db2.gz GCZBUPKOKKBAMC-UHFFFAOYSA-N 0 0 416.517 5.946 50 30 HKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O ZINC000001437001 568957588 /nfs/dbraw/zinc/95/75/88/568957588.db2.gz RRDZBKRAUYEJSL-DEOSSOPVSA-N 0 0 420.509 5.233 50 30 HKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O ZINC000001437002 568957543 /nfs/dbraw/zinc/95/75/43/568957543.db2.gz RRDZBKRAUYEJSL-XMMPIXPASA-N 0 0 420.509 5.233 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 ZINC000001437511 525793067 /nfs/dbraw/zinc/79/30/67/525793067.db2.gz ROIILOHVTVRSFY-RBTNQOKQSA-N 0 0 408.545 6.591 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 ZINC000001437512 525987774 /nfs/dbraw/zinc/98/77/74/525987774.db2.gz ROIILOHVTVRSFY-LYZGTLIUSA-N 0 0 408.545 6.591 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 ZINC000001437513 557263224 /nfs/dbraw/zinc/26/32/24/557263224.db2.gz ROIILOHVTVRSFY-KMRXNPHXSA-N 0 0 408.545 6.591 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 ZINC000001437514 557263301 /nfs/dbraw/zinc/26/33/01/557263301.db2.gz ROIILOHVTVRSFY-PIKZIKFNSA-N 0 0 408.545 6.591 50 30 HKEARN COc1cc2c(cc1OC)C(Nc1ccc(Br)cc1)=NC1(CCCC1)C2 ZINC000001438368 568965265 /nfs/dbraw/zinc/96/52/65/568965265.db2.gz JIZCQADYUUWYKP-UHFFFAOYSA-N 0 0 415.331 5.003 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 ZINC000001439865 557263626 /nfs/dbraw/zinc/26/36/26/557263626.db2.gz QKTHSKTZYVXHRA-MRDQGFSESA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 ZINC000001439866 524173799 /nfs/dbraw/zinc/17/37/99/524173799.db2.gz QKTHSKTZYVXHRA-WGDIFIGCSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 ZINC000001439867 557263608 /nfs/dbraw/zinc/26/36/08/557263608.db2.gz QKTHSKTZYVXHRA-QLXKLKPCSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 ZINC000001439868 557263642 /nfs/dbraw/zinc/26/36/42/557263642.db2.gz QKTHSKTZYVXHRA-QUGAMOGWSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)c1 ZINC000001439886 524113584 /nfs/dbraw/zinc/11/35/84/524113584.db2.gz HLKCZBBFELTCRP-HFJWLAOPSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)c1 ZINC000001439887 557263551 /nfs/dbraw/zinc/26/35/51/557263551.db2.gz HLKCZBBFELTCRP-WXTAPIANSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)c1 ZINC000001439888 557263591 /nfs/dbraw/zinc/26/35/91/557263591.db2.gz HLKCZBBFELTCRP-QYBDOPJKSA-N 0 0 414.480 5.814 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)c1 ZINC000001439889 524172808 /nfs/dbraw/zinc/17/28/08/524172808.db2.gz HLKCZBBFELTCRP-DWXRJYCRSA-N 0 0 414.480 5.814 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 ZINC000001440236 557263512 /nfs/dbraw/zinc/26/35/12/557263512.db2.gz BPBWXYUJJPCQEA-XFEVJDRUSA-N 0 0 404.510 5.041 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc21 ZINC000001440238 557263536 /nfs/dbraw/zinc/26/35/36/557263536.db2.gz SZHDJIIWZSYFIW-PKAUSPCKSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 ZINC000001440265 557263925 /nfs/dbraw/zinc/26/39/25/557263925.db2.gz JFDHLSJSCLORCK-NFKSOIJDSA-N 0 0 412.489 5.071 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000001440472 557263985 /nfs/dbraw/zinc/26/39/85/557263985.db2.gz LYXGUEPSHMSEJL-HMILPKGGSA-N 0 0 418.496 6.008 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000001440473 557263938 /nfs/dbraw/zinc/26/39/38/557263938.db2.gz LYXGUEPSHMSEJL-WHLCRQNOSA-N 0 0 418.496 6.008 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000001440474 557263888 /nfs/dbraw/zinc/26/38/88/557263888.db2.gz LYXGUEPSHMSEJL-VKGTZQKMSA-N 0 0 418.496 6.008 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ncccc3c12 ZINC000001440475 527032373 /nfs/dbraw/zinc/03/23/73/527032373.db2.gz LYXGUEPSHMSEJL-GDJIYFAZSA-N 0 0 418.496 6.008 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccc3ncccc3c12 ZINC000001440476 568969300 /nfs/dbraw/zinc/96/93/00/568969300.db2.gz PBYQJWUIZBBSHV-MRDQGFSESA-N 0 0 408.526 6.363 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccc3ncccc3c12 ZINC000001440477 568969281 /nfs/dbraw/zinc/96/92/81/568969281.db2.gz PBYQJWUIZBBSHV-WGDIFIGCSA-N 0 0 408.526 6.363 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 ZINC000001440478 568969376 /nfs/dbraw/zinc/96/93/76/568969376.db2.gz PBYQJWUIZBBSHV-QLXKLKPCSA-N 0 0 408.526 6.363 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 ZINC000001440479 568969371 /nfs/dbraw/zinc/96/93/71/568969371.db2.gz PBYQJWUIZBBSHV-QUGAMOGWSA-N 0 0 408.526 6.363 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccnc1 ZINC000001440861 557263952 /nfs/dbraw/zinc/26/39/52/557263952.db2.gz ONOMGONSMOUWHV-OAHLLOKOSA-N 0 0 414.427 5.264 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccnc1 ZINC000001440862 520254515 /nfs/dbraw/zinc/25/45/15/520254515.db2.gz ONOMGONSMOUWHV-HNNXBMFYSA-N 0 0 414.427 5.264 50 30 HKEARN Cc1cccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCOCC3)c(C)c2)c1 ZINC000001441673 132246186 /nfs/dbraw/zinc/24/61/86/132246186.db2.gz YQMQSNCTMLSDAS-UHFFFAOYSA-N 0 0 409.489 5.343 50 30 HKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000001443410 557264814 /nfs/dbraw/zinc/26/48/14/557264814.db2.gz FKXNVBCHUAYEBE-VWLOTQADSA-N 0 0 420.553 6.094 50 30 HKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000001443411 520785350 /nfs/dbraw/zinc/78/53/50/520785350.db2.gz FKXNVBCHUAYEBE-RUZDIDTESA-N 0 0 420.553 6.094 50 30 HKEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)CCCCCC2 ZINC000001444158 568968821 /nfs/dbraw/zinc/96/88/21/568968821.db2.gz USBILJVESABRAG-UHFFFAOYSA-N 0 0 419.472 5.362 50 30 HKEARN C=C(C)COc1cccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[nH]2)c1 ZINC000001444477 569006560 /nfs/dbraw/zinc/00/65/60/569006560.db2.gz HVOXRBXMBDVXQE-UHFFFAOYSA-N 0 0 421.547 5.186 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 ZINC000001444686 568982282 /nfs/dbraw/zinc/98/22/82/568982282.db2.gz OASAEPWIVQHEKA-YDZHTSKRSA-N 0 0 410.813 5.227 50 30 HKEARN CCc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000001444714 557266074 /nfs/dbraw/zinc/26/60/74/557266074.db2.gz PSQPNZRTXWGCBH-BUVRLJJBSA-N 0 0 404.422 5.136 50 30 HKEARN COc1ccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)cc1 ZINC000001445050 568982194 /nfs/dbraw/zinc/98/21/94/568982194.db2.gz AXEVVORKHRWEPN-BRJLIKDPSA-N 0 0 406.869 6.230 50 30 HKEARN COc1ccc(/C=N/c2cccc(/N=C/c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000001445132 557266069 /nfs/dbraw/zinc/26/60/69/557266069.db2.gz KGKRASAYEXDVRG-RYQLWAFASA-N 0 0 404.466 5.222 50 30 HKEARN COc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC)c3OC)cc2)c1OC ZINC000001445234 525774451 /nfs/dbraw/zinc/77/44/51/525774451.db2.gz ZWQPVJRPYOLSNF-RYQLWAFASA-N 0 0 404.466 5.222 50 30 HKEARN Cc1ccccc1-c1nc2cc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2o1 ZINC000001445271 557266054 /nfs/dbraw/zinc/26/60/54/557266054.db2.gz LZHOUMSDCPZJBS-FOKLQQMPSA-N 0 0 401.378 5.191 50 30 HKEARN CC(C)(C)[C@H](COc1ccccc1)NC1=NC(=S)N(Cc2ccccc2)C1(C)C ZINC000001445436 518958230 /nfs/dbraw/zinc/95/82/30/518958230.db2.gz QHDJSDANFXSTSF-FQEVSTJZSA-N 0 0 409.599 5.048 50 30 HKEARN CC(C)(C)[C@@H](COc1ccccc1)NC1=NC(=S)N(Cc2ccccc2)C1(C)C ZINC000001445438 518921301 /nfs/dbraw/zinc/92/13/01/518921301.db2.gz QHDJSDANFXSTSF-HXUWFJFHSA-N 0 0 409.599 5.048 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 ZINC000001445596 568983477 /nfs/dbraw/zinc/98/34/77/568983477.db2.gz DITRHTVVQVXPDB-DIFDQGGFSA-N 0 0 409.489 6.480 50 30 HKEARN N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1SCc1nc2ccccc2[nH]1 ZINC000001445932 568968728 /nfs/dbraw/zinc/96/87/28/568968728.db2.gz TXJAPEHVHXTLGY-UHFFFAOYSA-N 0 0 408.486 6.049 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000001452438 518827578 /nfs/dbraw/zinc/82/75/78/518827578.db2.gz ZDPWMZFLLNCQKH-UYRXBGFRSA-N 0 0 421.522 5.066 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C(C)(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000001456262 557267903 /nfs/dbraw/zinc/26/79/03/557267903.db2.gz YDNMGKYLKVTRTI-HSZRJFAPSA-N 0 0 407.554 5.438 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(C)(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000001456263 557267851 /nfs/dbraw/zinc/26/78/51/557267851.db2.gz YDNMGKYLKVTRTI-QHCPKHFHSA-N 0 0 407.554 5.438 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000001457502 557267974 /nfs/dbraw/zinc/26/79/74/557267974.db2.gz VVKGJJQYQJVWQD-NSYGIPOTSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000001457503 527031469 /nfs/dbraw/zinc/03/14/69/527031469.db2.gz VVKGJJQYQJVWQD-CRICUBBOSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000001457504 557267809 /nfs/dbraw/zinc/26/78/09/557267809.db2.gz VVKGJJQYQJVWQD-GKVSMKOHSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000001457505 557267892 /nfs/dbraw/zinc/26/78/92/557267892.db2.gz VVKGJJQYQJVWQD-SSOJOUAXSA-N 0 0 416.908 6.025 50 30 HKEARN O=C1/C(=C/c2ccc(OC(F)F)cc2)CCC/C1=C/c1ccc(OC(F)F)cc1 ZINC000001457642 568987142 /nfs/dbraw/zinc/98/71/42/568987142.db2.gz SAFRXPHGTZUONG-RFTYBOQRSA-N 0 0 406.375 6.109 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000001461566 557268789 /nfs/dbraw/zinc/26/87/89/557268789.db2.gz PVQMZRZNJPODHU-AFMDSPMNSA-N 0 0 423.491 5.900 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000001461567 525986814 /nfs/dbraw/zinc/98/68/14/525986814.db2.gz PVQMZRZNJPODHU-NIYFSFCBSA-N 0 0 423.491 5.900 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000001461568 525792531 /nfs/dbraw/zinc/79/25/31/525792531.db2.gz PVQMZRZNJPODHU-SIBVEZHUSA-N 0 0 423.491 5.900 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000001461569 557268751 /nfs/dbraw/zinc/26/87/51/557268751.db2.gz PVQMZRZNJPODHU-BCHFMIIMSA-N 0 0 423.491 5.900 50 30 HKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O ZINC000001461732 521541590 /nfs/dbraw/zinc/54/15/90/521541590.db2.gz QDEAWLPXCVCYLG-UHFFFAOYSA-N 0 0 407.554 5.401 50 30 HKEARN O=C(Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1)c1ccccc1 ZINC000001462452 557268711 /nfs/dbraw/zinc/26/87/11/557268711.db2.gz JXRXKSHWOALUEB-UHFFFAOYSA-N 0 0 414.457 5.034 50 30 HKEARN C=C1[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000001462566 568988778 /nfs/dbraw/zinc/98/87/78/568988778.db2.gz BIVLRFGJAOMWBY-FGZHOGPDSA-N 0 0 404.554 5.661 50 30 HKEARN C=C(C)COc1cc2c(cc1Br)oc(-c1ccccc1)c2C(=O)OCC ZINC000001463670 518612028 /nfs/dbraw/zinc/61/20/28/518612028.db2.gz IXUWIOYFOCCZHH-UHFFFAOYSA-N 0 0 415.283 5.994 50 30 HKEARN O=c1c(/C=N/c2ccccc2Cl)c(Nc2ccccc2Cl)nc2ccccn12 ZINC000001464428 568989720 /nfs/dbraw/zinc/98/97/20/568989720.db2.gz CSHPRZQPWUSALT-ZMOGYAJESA-N 0 0 409.276 5.496 50 30 HKEARN COc1ccccc1/N=C/c1ccccc1OC(=O)c1ccccc1Br ZINC000001464814 568990360 /nfs/dbraw/zinc/99/03/60/568990360.db2.gz GMXXRPAXJLRTDJ-OEAKJJBVSA-N 0 0 410.267 5.428 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000001465721 557268772 /nfs/dbraw/zinc/26/87/72/557268772.db2.gz IWUCDNHHKSXSPN-BCHFMIIMSA-N 0 0 414.936 6.628 50 30 HKEARN COc1ccc(/C(C)=N\N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000001466372 568991339 /nfs/dbraw/zinc/99/13/39/568991339.db2.gz AKAGYCRVBCCFFV-LZEYSGSQSA-N 0 0 403.507 5.191 50 30 HKEARN COc1ccc(CCNc2cc(C(C)C)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000001467932 568988082 /nfs/dbraw/zinc/98/80/82/568988082.db2.gz GAIGUOPPRABVJK-UHFFFAOYSA-N 0 0 414.509 5.154 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3cccc(Cl)c3)nc12 ZINC000001469981 557269173 /nfs/dbraw/zinc/26/91/73/557269173.db2.gz QZAOPYXXDDROML-DHRITJCHSA-N 0 0 423.303 5.804 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3F)c(Nc3cccc(Cl)c3)nc12 ZINC000001469983 568991960 /nfs/dbraw/zinc/99/19/60/568991960.db2.gz GNAKGEWACAHPMK-DHRITJCHSA-N 0 0 406.848 5.290 50 30 HKEARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 ZINC000001471616 568994487 /nfs/dbraw/zinc/99/44/87/568994487.db2.gz LVHRNDXGWNGGAF-UHFFFAOYSA-N 0 0 406.338 5.178 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001476569 568993116 /nfs/dbraw/zinc/99/31/16/568993116.db2.gz ZNNBXDNATBIZKY-UHFFFAOYSA-N 0 0 403.898 5.147 50 30 HKEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000001476587 568993010 /nfs/dbraw/zinc/99/30/10/568993010.db2.gz NWWABIWMMYWYBL-UHFFFAOYSA-N 0 0 403.894 5.203 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Nc3ccc(Cl)cc3)nc12 ZINC000001496714 557270511 /nfs/dbraw/zinc/27/05/11/557270511.db2.gz XZEFMOIWUJXTSC-DHRITJCHSA-N 0 0 423.303 5.804 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)s1 ZINC000001496793 527345603 /nfs/dbraw/zinc/34/56/03/527345603.db2.gz BKNBEMSTTNGYDB-ZVBGSRNCSA-N 0 0 418.261 6.522 50 30 HKEARN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000001499595 569004590 /nfs/dbraw/zinc/00/45/90/569004590.db2.gz KHQLMQFJMVSJOB-YZSQISJMSA-N 0 0 406.913 5.224 50 30 HKEARN Cc1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Br)cc2)cc1 ZINC000001501241 569006034 /nfs/dbraw/zinc/00/60/34/569006034.db2.gz SGDZEQDDNDMXAV-ZVHZXABRSA-N 0 0 404.311 5.906 50 30 HKEARN O=C(Nc1cccc(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc32)c1)c1ccccc1 ZINC000001501561 569006066 /nfs/dbraw/zinc/00/60/66/569006066.db2.gz QUYNRCBLAXGSSB-MFKUBSTISA-N 0 0 411.417 5.457 50 30 HKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2)c1O ZINC000001502244 569005992 /nfs/dbraw/zinc/00/59/92/569005992.db2.gz WFKUFMILUNYJOH-CNHKJKLMSA-N 0 0 419.500 5.330 50 30 HKEARN O=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1ccc(F)cc1 ZINC000001502321 569005983 /nfs/dbraw/zinc/00/59/83/569005983.db2.gz ZJJFSDWBJZXNKB-FSJBWODESA-N 0 0 413.246 5.297 50 30 HKEARN O=c1c(/C=N/c2cccc(Cl)c2)c(Nc2cccc(Cl)c2)nc2ccccn12 ZINC000001504288 557270820 /nfs/dbraw/zinc/27/08/20/557270820.db2.gz NRSOXGSNGUIQJV-ZMOGYAJESA-N 0 0 409.276 5.496 50 30 HKEARN O=C(Nc1cccc2ccccc21)c1cccc(/N=C/c2cc(Cl)ccc2O)c1 ZINC000001506232 569006755 /nfs/dbraw/zinc/00/67/55/569006755.db2.gz RRQYHTXCLAIIEX-CVKSISIWSA-N 0 0 400.865 6.202 50 30 HKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000001508993 557270728 /nfs/dbraw/zinc/27/07/28/557270728.db2.gz WACIQRQUYCGSIC-ZMOGYAJESA-N 0 0 421.957 6.076 50 30 HKEARN N#Cc1c(S[C@H](C(N)=O)c2ccccc2)nc(-c2ccccc2)cc1-c1ccco1 ZINC000001511523 569009310 /nfs/dbraw/zinc/00/93/10/569009310.db2.gz HCDDIDYYVQCFTP-QFIPXVFZSA-N 0 0 411.486 5.199 50 30 HKEARN N#Cc1c(S[C@@H](C(N)=O)c2ccccc2)nc(-c2ccccc2)cc1-c1ccco1 ZINC000001511530 569009262 /nfs/dbraw/zinc/00/92/62/569009262.db2.gz HCDDIDYYVQCFTP-JOCHJYFZSA-N 0 0 411.486 5.199 50 30 HKEARN N#Cc1c(/N=C/c2ccc(Br)cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000001512980 526516983 /nfs/dbraw/zinc/51/69/83/526516983.db2.gz GOTQINDDAJDHHH-FSJBWODESA-N 0 0 407.223 6.184 50 30 HKEARN CCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(OC)cc2)c1C#N ZINC000001513252 569009890 /nfs/dbraw/zinc/00/98/90/569009890.db2.gz VXNNJAFYAMTHIY-UHFFFAOYSA-N 0 0 403.507 5.302 50 30 HKEARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccco3)c2C#N)cc1 ZINC000001513583 569009871 /nfs/dbraw/zinc/00/98/71/569009871.db2.gz JPFYHWGTYWYCAI-UHFFFAOYSA-N 0 0 410.498 6.164 50 30 HKEARN COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3cccs3)c2C#N)cc1 ZINC000001518040 569011527 /nfs/dbraw/zinc/01/15/27/569011527.db2.gz GMKSRYUPZHCPHQ-UHFFFAOYSA-N 0 0 406.532 5.543 50 30 aggregator HKEARN CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000001532097 557271809 /nfs/dbraw/zinc/27/18/09/557271809.db2.gz NYPJDWWKZLNGGM-ZEQRLZLVSA-N 0 0 419.908 6.680 50 30 endogenous,in-man HKEARN CC(C)[C@@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000001532098 557271775 /nfs/dbraw/zinc/27/17/75/557271775.db2.gz NYPJDWWKZLNGGM-BJKOFHAPSA-N 0 0 419.908 6.680 50 30 endogenous,in-man HKEARN CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000001532099 557271790 /nfs/dbraw/zinc/27/17/90/557271790.db2.gz NYPJDWWKZLNGGM-RPWUZVMVSA-N 0 0 419.908 6.680 50 30 endogenous,in-man HKEARN CC(C)[C@@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000001532100 557271832 /nfs/dbraw/zinc/27/18/32/557271832.db2.gz NYPJDWWKZLNGGM-DNQXCXABSA-N 0 0 419.908 6.680 50 30 endogenous,in-man HKEARN Cc1nn(C)c(Oc2ccccc2)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000001532155 557271750 /nfs/dbraw/zinc/27/17/50/557271750.db2.gz YYJNOYZRYGDPNH-MFKUBSTISA-N 0 0 421.497 5.027 50 30 in-vitro HKEARN CCc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 ZINC000001564289 569006664 /nfs/dbraw/zinc/00/66/64/569006664.db2.gz KXTNQYWZDLPDLS-UHFFFAOYSA-N 0 0 406.528 7.355 50 30 HKEARN COc1cccc(Nc2sc(C(=O)c3cc4cc(Cl)ccc4o3)c(N)c2C#N)c1 ZINC000001568967 569030528 /nfs/dbraw/zinc/03/05/28/569030528.db2.gz VVVADMHIBRXCCG-UHFFFAOYSA-N 0 0 423.881 5.585 50 30 HKEARN COc1cc(/C=C/C=C2\CCC/C(=C/C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000001643078 569031561 /nfs/dbraw/zinc/03/15/61/569031561.db2.gz QTCFGIPIXZIJHC-VJURVTHGSA-N 0 0 418.489 5.447 50 30 HKEARN Clc1ccc(Oc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000001653644 557278893 /nfs/dbraw/zinc/27/88/93/557278893.db2.gz XROGJXMBTGUNFK-BHGWPJFGSA-N 0 0 411.115 7.843 50 30 HKEARN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 ZINC000001682572 569031990 /nfs/dbraw/zinc/03/19/90/569031990.db2.gz USIJFGMDDKBLAB-BPYXDGQXSA-N 0 0 420.152 5.132 50 30 HKEARN COc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001701871 523871873 /nfs/dbraw/zinc/87/18/73/523871873.db2.gz MRIYNLXCRJKRPA-UHFFFAOYSA-N 0 0 414.504 6.800 50 30 HKEARN Brc1ccc2[nH]cc(/C=N/N=C3c4ccccc4-c4ccccc43)c2c1 ZINC000001710180 569032948 /nfs/dbraw/zinc/03/29/48/569032948.db2.gz JWNYHTRMGJXGLY-DHRITJCHSA-N 0 0 400.279 5.782 50 30 HKEARN Ic1cccc(/C=N/N=C2c3ccccc3-c3ccccc32)c1 ZINC000001710183 557282294 /nfs/dbraw/zinc/28/22/94/557282294.db2.gz HANQTVRPUGXKFU-LPYMAVHISA-N 0 0 408.242 5.143 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CCC/C1=C/c1ccc(Cl)cc1Cl ZINC000001729755 557283247 /nfs/dbraw/zinc/28/32/47/557283247.db2.gz KZJYHNUZXHLSFI-DJJIWSAGSA-N 0 0 412.143 7.520 50 30 HKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(Sc3nccc(C)n3)cc2)cc1 ZINC000001741030 557284035 /nfs/dbraw/zinc/28/40/35/557284035.db2.gz ZIHKKXHWMCWUPU-UHFFFAOYSA-N 0 0 419.594 6.701 50 30 HKEARN COc1ccccc1N1CCN(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000001743381 557284357 /nfs/dbraw/zinc/28/43/57/557284357.db2.gz LQVPNEAIOGOGPQ-OVVQPSECSA-N 0 0 423.601 5.152 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)[C@@]2(CCOC(C)(C)C2)N1c1ccccc1 ZINC000001746948 525343600 /nfs/dbraw/zinc/34/36/00/525343600.db2.gz DUBATHXYPAWDAJ-OQICMLARSA-N 0 0 407.583 5.900 50 30 HKEARN Cc1sc2c(c1C)C(=O)NC1=C(C(=O)c3ccccc3Cl)c3ccccc3CN21 ZINC000001751987 569051952 /nfs/dbraw/zinc/05/19/52/569051952.db2.gz WRDWCOCORSXXOM-UHFFFAOYSA-N 0 0 420.921 5.333 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001752534 569051964 /nfs/dbraw/zinc/05/19/64/569051964.db2.gz FYBCQEOSHUFTDG-QGZVFWFLSA-N 0 0 412.580 5.131 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001752537 569051935 /nfs/dbraw/zinc/05/19/35/569051935.db2.gz FYBCQEOSHUFTDG-KRWDZBQOSA-N 0 0 412.580 5.131 50 30 HKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000001753305 569012603 /nfs/dbraw/zinc/01/26/03/569012603.db2.gz UZVGNLUCCXCLLB-UHFFFAOYSA-N 0 0 416.243 6.387 50 30 HKEARN C=C(C)Cn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001753688 569051969 /nfs/dbraw/zinc/05/19/69/569051969.db2.gz XQFIXRWJFXXWAC-UHFFFAOYSA-N 0 0 422.638 6.383 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000001755307 569052007 /nfs/dbraw/zinc/05/20/07/569052007.db2.gz BOLARCSIPJLZPX-UHFFFAOYSA-N 0 0 415.581 7.258 50 30 HKEARN Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001756559 569287897 /nfs/dbraw/zinc/28/78/97/569287897.db2.gz IUCYPRNFKHKSML-UHFFFAOYSA-N 0 0 402.540 6.479 50 30 HKEARN CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000001757397 569051877 /nfs/dbraw/zinc/05/18/77/569051877.db2.gz JSKYOFPBZDSNBL-UHFFFAOYSA-N 0 0 408.548 5.783 50 30 HKEARN CC(=O)C1=NN(c2ccccc2C)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001759962 519370446 /nfs/dbraw/zinc/37/04/46/519370446.db2.gz LKTGOUNRGFEJGS-QFIPXVFZSA-N 0 0 423.563 5.136 50 30 HKEARN CC(=O)C1=NN(c2ccccc2C)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001759964 519369821 /nfs/dbraw/zinc/36/98/21/519369821.db2.gz LKTGOUNRGFEJGS-JOCHJYFZSA-N 0 0 423.563 5.136 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3 ZINC000001759982 569052077 /nfs/dbraw/zinc/05/20/77/569052077.db2.gz MHRDEBFAHYKZGU-QFIPXVFZSA-N 0 0 412.580 5.275 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3 ZINC000001759983 519083462 /nfs/dbraw/zinc/08/34/62/519083462.db2.gz MHRDEBFAHYKZGU-JOCHJYFZSA-N 0 0 412.580 5.275 50 30 HKEARN Cc1ccc(S(=O)(=O)OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000001761770 557285367 /nfs/dbraw/zinc/28/53/67/557285367.db2.gz CSNIJAHLXODILI-UHFFFAOYSA-N 0 0 404.572 5.493 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Br)c3)C12 ZINC000001762035 527133298 /nfs/dbraw/zinc/13/32/98/527133298.db2.gz FOTQBWNOKXNASN-JOCHJYFZSA-N 0 0 420.331 6.316 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Br)c3)C12 ZINC000001762037 569052160 /nfs/dbraw/zinc/05/21/60/569052160.db2.gz FOTQBWNOKXNASN-QFIPXVFZSA-N 0 0 420.331 6.316 50 30 HKEARN Cc1ccc(C(=NN=C(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000001764290 569052110 /nfs/dbraw/zinc/05/21/10/569052110.db2.gz ZRGCHWSFOYECMS-UHFFFAOYSA-N 0 0 416.568 7.210 50 30 HKEARN C#CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001764377 569006813 /nfs/dbraw/zinc/00/68/13/569006813.db2.gz IWZWQWTXCHWMLA-UHFFFAOYSA-N 0 0 412.558 5.301 50 30 biogenic HKEARN C=CCOc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000001768181 569006790 /nfs/dbraw/zinc/00/67/90/569006790.db2.gz BWWZLZJCUVTFOW-UHFFFAOYSA-N 0 0 406.356 5.061 50 30 biogenic HKEARN CCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000001769324 569052339 /nfs/dbraw/zinc/05/23/39/569052339.db2.gz OLPGPNDTKAPGDR-ACCUITESSA-N 0 0 424.566 5.728 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000001770763 518624933 /nfs/dbraw/zinc/62/49/33/518624933.db2.gz DOGWGECSVUGJOC-UHFFFAOYSA-N 0 0 414.621 5.683 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 ZINC000001771093 569052337 /nfs/dbraw/zinc/05/23/37/569052337.db2.gz BQEHDMYQAHNYGW-LBPRGKRZSA-N 0 0 423.365 5.849 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 ZINC000001771095 569052346 /nfs/dbraw/zinc/05/23/46/569052346.db2.gz BQEHDMYQAHNYGW-GFCCVEGCSA-N 0 0 423.365 5.849 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3CCc3ccccc3)sc2C1 ZINC000001771096 569052388 /nfs/dbraw/zinc/05/23/88/569052388.db2.gz RXBFRUCVQJIZKE-KRWDZBQOSA-N 0 0 400.547 5.782 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3CCc3ccccc3)sc2C1 ZINC000001771097 569052397 /nfs/dbraw/zinc/05/23/97/569052397.db2.gz RXBFRUCVQJIZKE-QGZVFWFLSA-N 0 0 400.547 5.782 50 30 HKEARN C=CCOc1ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2c1 ZINC000001771743 519049426 /nfs/dbraw/zinc/04/94/26/519049426.db2.gz BSQUFFVNMZZCIQ-UHFFFAOYSA-N 0 0 412.363 6.322 50 30 HKEARN CCCCCCCCOc1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1 ZINC000001773680 569052484 /nfs/dbraw/zinc/05/24/84/569052484.db2.gz NXMJCOLCLRRUAS-UHFFFAOYSA-N 0 0 422.319 5.394 50 30 HKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001774034 569006814 /nfs/dbraw/zinc/00/68/14/569006814.db2.gz WJURILZXBHSHKF-CPNJWEJPSA-N 0 0 419.531 5.433 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001775633 569052519 /nfs/dbraw/zinc/05/25/19/569052519.db2.gz XYEHXRSQDUNDTL-BOPFTXTBSA-N 0 0 421.465 5.676 50 30 HKEARN O=C1/C(=C/c2ccccc2Cl)S/C(=N\Nc2ccccc2)N1c1ccccc1 ZINC000001776436 526943558 /nfs/dbraw/zinc/94/35/58/526943558.db2.gz LQSCHVKWEFZIDF-YWNZOVFCSA-N 0 0 405.910 5.844 50 30 HKEARN N#Cc1c(SCc2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000001776498 569052589 /nfs/dbraw/zinc/05/25/89/569052589.db2.gz UFVKKUXZOKNTGC-UHFFFAOYSA-N 0 0 402.519 6.780 50 30 HKEARN COc1cc(C=Nn2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000001777034 569052554 /nfs/dbraw/zinc/05/25/54/569052554.db2.gz YSTPGDFRTUEONT-ZVBGSRNCSA-N 0 0 423.325 5.026 50 30 HKEARN C=CCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001777089 569006821 /nfs/dbraw/zinc/00/68/21/569006821.db2.gz MSALKIDUWAJURG-UHFFFAOYSA-N 0 0 400.814 5.557 50 30 HKEARN C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001777097 569006801 /nfs/dbraw/zinc/00/68/01/569006801.db2.gz JIDHZEHWXHXHMQ-UHFFFAOYSA-N 0 0 420.339 5.614 50 30 HKEARN C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 ZINC000001777103 569006831 /nfs/dbraw/zinc/00/68/31/569006831.db2.gz CEUUFTOHFYNHOH-UHFFFAOYSA-N 0 0 424.758 5.834 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001779583 518625033 /nfs/dbraw/zinc/62/50/33/518625033.db2.gz BDJUXSHFHGIPLS-SANMLTNESA-N 0 0 416.590 5.851 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001779585 569052623 /nfs/dbraw/zinc/05/26/23/569052623.db2.gz BDJUXSHFHGIPLS-AREMUKBSSA-N 0 0 416.590 5.851 50 30 HKEARN Clc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 ZINC000001780522 569052715 /nfs/dbraw/zinc/05/27/15/569052715.db2.gz JSAPKBLJEFJEJV-BUVRLJJBSA-N 0 0 404.926 5.773 50 30 HKEARN CCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 ZINC000001780555 568835144 /nfs/dbraw/zinc/83/51/44/568835144.db2.gz IRYZIBYPOMXLHK-KOEQRZSOSA-N 0 0 414.534 5.518 50 30 HKEARN Cc1ccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001780626 569052698 /nfs/dbraw/zinc/05/26/98/569052698.db2.gz ZIBNUXBGMYSZGI-CVKSISIWSA-N 0 0 414.534 5.340 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001781635 568835264 /nfs/dbraw/zinc/83/52/64/568835264.db2.gz XQWQHMRTCZWSIO-UHFFFAOYSA-N 0 0 418.562 5.588 50 30 biogenic HKEARN C=CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001781932 519081363 /nfs/dbraw/zinc/08/13/63/519081363.db2.gz LKDOHAIGCZATGK-UHFFFAOYSA-N 0 0 414.574 5.854 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001786477 519083871 /nfs/dbraw/zinc/08/38/71/519083871.db2.gz GPLVVYIVNHCYTL-UHFFFAOYSA-N 0 0 414.621 5.602 50 30 HKEARN Cc1cc(OCCCC(=O)Nc2sc3c(c2C#N)CCCC3)cc(C)c1Cl ZINC000001787144 569052701 /nfs/dbraw/zinc/05/27/01/569052701.db2.gz UGMLWZRHWITXBY-UHFFFAOYSA-N 0 0 402.947 5.567 50 30 HKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CCC)C2=O)SC1=S ZINC000001787215 557287831 /nfs/dbraw/zinc/28/78/31/557287831.db2.gz SDEZMKCRJBXLSR-HNENSFHCSA-N 0 0 416.612 5.375 50 30 HKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000001788637 569053111 /nfs/dbraw/zinc/05/31/11/569053111.db2.gz CRAPWVQTDAVHBA-UHFFFAOYSA-N 0 0 414.621 5.504 50 30 HKEARN CCCCCCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)o2)cc1 ZINC000001790048 568835377 /nfs/dbraw/zinc/83/53/77/568835377.db2.gz WHZNRHIYHUAHEW-UHFFFAOYSA-N 0 0 408.454 5.626 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 ZINC000001794180 569053173 /nfs/dbraw/zinc/05/31/73/569053173.db2.gz ZMMWIBQDVKQMBW-UHFFFAOYSA-N 0 0 412.945 7.233 50 30 HKEARN CCCCCCCCCCOc1ccc(-c2c(=O)n(O)c3ccccc3[n+]2[O-])cc1 ZINC000001795474 568835686 /nfs/dbraw/zinc/83/56/86/568835686.db2.gz QBOIBZYNPGORBO-UHFFFAOYSA-N 0 0 410.514 5.059 50 30 HKEARN C=CCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001796086 519233686 /nfs/dbraw/zinc/23/36/86/519233686.db2.gz AOSLKGLOPVJBTG-UHFFFAOYSA-N 0 0 408.611 5.993 50 30 biogenic HKEARN C=CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001799338 569053328 /nfs/dbraw/zinc/05/33/28/569053328.db2.gz FOXZAOMUHUKULZ-UHFFFAOYSA-N 0 0 420.622 6.452 50 30 biogenic HKEARN O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C\c2ccccc2Cl)N1c1ccccc1 ZINC000001799760 568836227 /nfs/dbraw/zinc/83/62/27/568836227.db2.gz UXOQOFUGRCTRLU-PZWSBBPWSA-N 0 0 419.937 5.421 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001800378 519080762 /nfs/dbraw/zinc/08/07/62/519080762.db2.gz MPDLBBCSKWBKNK-VWLOTQADSA-N 0 0 402.563 5.461 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001800380 569053412 /nfs/dbraw/zinc/05/34/12/569053412.db2.gz MPDLBBCSKWBKNK-RUZDIDTESA-N 0 0 402.563 5.461 50 30 HKEARN O=C(Cc1ccccc1)Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000001800992 527284089 /nfs/dbraw/zinc/28/40/89/527284089.db2.gz XUPPMQDNHSEHNB-UHFFFAOYSA-N 0 0 411.342 5.750 50 30 HKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001801665 569006825 /nfs/dbraw/zinc/00/68/25/569006825.db2.gz UBDQFARXRXPHHD-UHFFFAOYSA-N 0 0 423.563 5.517 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc2ccccc21)CCCC3 ZINC000001805468 569006793 /nfs/dbraw/zinc/00/67/93/569006793.db2.gz YIABYRJRYQZRSV-UHFFFAOYSA-N 0 0 418.587 5.968 50 30 HKEARN C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001806755 569006797 /nfs/dbraw/zinc/00/67/97/569006797.db2.gz LJQMXAQUKNYHFO-UHFFFAOYSA-N 0 0 412.114 5.831 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c(O)c1 ZINC000001807107 557289959 /nfs/dbraw/zinc/28/99/59/557289959.db2.gz YXSOZFBGUFBEND-WGOQTCKBSA-N 0 0 421.928 5.895 50 30 HKEARN C=CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001808005 519081744 /nfs/dbraw/zinc/08/17/44/519081744.db2.gz JWRDNNLSVSQRJE-UHFFFAOYSA-N 0 0 414.574 5.936 50 30 HKEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(C[C@H](CC)CCCC)C2=O)C1=O ZINC000001811076 569006833 /nfs/dbraw/zinc/00/68/33/569006833.db2.gz KAXNRFCGEKWORA-RAJOGRCSSA-N 0 0 414.596 5.007 50 30 HKEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(C[C@@H](CC)CCCC)C2=O)C1=O ZINC000001811079 518875929 /nfs/dbraw/zinc/87/59/29/518875929.db2.gz KAXNRFCGEKWORA-IJYGLTAASA-N 0 0 414.596 5.007 50 30 HKEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(CCCCCCCC)C2=O)C1=O ZINC000001812247 518875848 /nfs/dbraw/zinc/87/58/48/518875848.db2.gz MEJDJYJPFUSKKA-HNENSFHCSA-N 0 0 414.596 5.151 50 30 HKEARN CCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000001812991 557290405 /nfs/dbraw/zinc/29/04/05/557290405.db2.gz ZWODRVIEYUIRNP-UKEODDKASA-N 0 0 401.597 5.956 50 30 HKEARN CCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000001812993 557290396 /nfs/dbraw/zinc/29/03/96/557290396.db2.gz ZWODRVIEYUIRNP-RUAUKMDKSA-N 0 0 401.597 5.956 50 30 HKEARN CN(C)c1ccc(C(=NSc2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)cc1 ZINC000001816131 569056061 /nfs/dbraw/zinc/05/60/61/569056061.db2.gz SDUBYOJGSVJFCN-UHFFFAOYSA-N 0 0 420.538 5.272 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001817054 569056105 /nfs/dbraw/zinc/05/61/05/569056105.db2.gz MYDUJHBUWFUCOI-VWLOTQADSA-N 0 0 402.563 5.792 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001817055 569056078 /nfs/dbraw/zinc/05/60/78/569056078.db2.gz MYDUJHBUWFUCOI-RUZDIDTESA-N 0 0 402.563 5.792 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(C)(C)OC3 ZINC000001817908 568837269 /nfs/dbraw/zinc/83/72/69/568837269.db2.gz CKZUFTTWYWQQAA-UHFFFAOYSA-N 0 0 422.660 6.028 50 30 HKEARN CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001818537 568837086 /nfs/dbraw/zinc/83/70/86/568837086.db2.gz ASHWHCJUBVGCLN-QFIPXVFZSA-N 0 0 423.563 5.136 50 30 HKEARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001818538 519369672 /nfs/dbraw/zinc/36/96/72/519369672.db2.gz ASHWHCJUBVGCLN-JOCHJYFZSA-N 0 0 423.563 5.136 50 30 HKEARN C=C(C)Cn1c(SCCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001818926 569006786 /nfs/dbraw/zinc/00/67/86/569006786.db2.gz UEFNOUZXMQBTFZ-UHFFFAOYSA-N 0 0 408.611 6.137 50 30 HKEARN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000001819863 569056242 /nfs/dbraw/zinc/05/62/42/569056242.db2.gz RZIKULBVNUTTHV-DEDYPNTBSA-N 0 0 419.864 5.272 50 30 HKEARN Cc1ccc(OC(=O)c2cccc3ccccc32)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000001820530 569056295 /nfs/dbraw/zinc/05/62/95/569056295.db2.gz JRYLQZYJAKYBNJ-XYGWBWBKSA-N 0 0 422.505 6.697 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000001821822 568837688 /nfs/dbraw/zinc/83/76/88/568837688.db2.gz ZEJPIZHGZRYBHE-UHFFFAOYSA-N 0 0 401.554 6.868 50 30 HKEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000001823664 557290660 /nfs/dbraw/zinc/29/06/60/557290660.db2.gz PATPNZNBCZQPJY-UHFFFAOYSA-N 0 0 421.504 5.290 50 30 HKEARN CC(C)OC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000001825324 569056265 /nfs/dbraw/zinc/05/62/65/569056265.db2.gz JEKWQXUHUQXKGZ-UHFFFAOYSA-N 0 0 412.511 5.532 50 30 HKEARN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000001826307 569056253 /nfs/dbraw/zinc/05/62/53/569056253.db2.gz GNRUTEDWXAQDNU-CPNJWEJPSA-N 0 0 419.864 5.272 50 30 HKEARN C=CCn1c(SCCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001828007 569056261 /nfs/dbraw/zinc/05/62/61/569056261.db2.gz NURDZNMRHYNZCW-UHFFFAOYSA-N 0 0 408.611 6.137 50 30 biogenic HKEARN C=C(Br)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000001829379 569056300 /nfs/dbraw/zinc/05/63/00/569056300.db2.gz OWDZEUKFRXNOJR-JTQLQIEISA-N 0 0 412.422 5.425 50 30 HKEARN C=C(Br)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000001829380 569056282 /nfs/dbraw/zinc/05/62/82/569056282.db2.gz OWDZEUKFRXNOJR-SNVBAGLBSA-N 0 0 412.422 5.425 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccs3)sc2C1 ZINC000001830705 569056318 /nfs/dbraw/zinc/05/63/18/569056318.db2.gz CUHIFBOQPLWKEX-LBPRGKRZSA-N 0 0 417.625 5.349 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccs3)sc2C1 ZINC000001830706 569056351 /nfs/dbraw/zinc/05/63/51/569056351.db2.gz CUHIFBOQPLWKEX-GFCCVEGCSA-N 0 0 417.625 5.349 50 30 HKEARN C=CCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001832626 569056345 /nfs/dbraw/zinc/05/63/45/569056345.db2.gz KJGUKDTWCKMISE-UHFFFAOYSA-N 0 0 409.536 5.629 50 30 HKEARN CCCCCCCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001833646 569056395 /nfs/dbraw/zinc/05/63/95/569056395.db2.gz SRNCQJCOUAFOFT-SANMLTNESA-N 0 0 424.654 6.894 50 30 HKEARN CCCCCCCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000001833647 569056375 /nfs/dbraw/zinc/05/63/75/569056375.db2.gz SRNCQJCOUAFOFT-AREMUKBSSA-N 0 0 424.654 6.894 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 ZINC000001834355 569056413 /nfs/dbraw/zinc/05/64/13/569056413.db2.gz HCTWLWWFRJBSPC-UHFFFAOYSA-N 0 0 412.624 6.306 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000001834563 120601620 /nfs/dbraw/zinc/60/16/20/120601620.db2.gz SRVQFMHBAWCQTE-MKIITAJQSA-N 0 0 418.949 6.013 50 30 HKEARN Cc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000001836012 568838316 /nfs/dbraw/zinc/83/83/16/568838316.db2.gz LIJAXCJCPQVFHS-MZJWZYIUSA-N 0 0 412.876 7.066 50 30 HKEARN Fc1ccccc1Cn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000001839406 571305244 /nfs/dbraw/zinc/30/52/44/571305244.db2.gz HHIPNNMKDSZUIZ-DHRITJCHSA-N 0 0 400.482 5.884 50 30 HKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000001844655 569056528 /nfs/dbraw/zinc/05/65/28/569056528.db2.gz LEWZTYILICXSRW-PTGBLXJZSA-N 0 0 422.594 6.817 50 30 HKEARN Clc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000001846267 571310476 /nfs/dbraw/zinc/31/04/76/571310476.db2.gz ZIIUFBKILLONEN-DHRITJCHSA-N 0 0 416.937 6.399 50 30 HKEARN C(=NN=c1[nH]c2ccccc2s1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000001849358 571304313 /nfs/dbraw/zinc/30/43/13/571304313.db2.gz SVVVLPJPCVXILH-PCLIKHOPSA-N 0 0 412.518 5.776 50 30 HKEARN Cc1cc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000001851941 569056574 /nfs/dbraw/zinc/05/65/74/569056574.db2.gz YWBMTQTYXUUDGY-UHFFFAOYSA-N 0 0 409.272 6.938 50 30 HKEARN Cc1cc(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)ccc1Cl ZINC000001858034 571307833 /nfs/dbraw/zinc/30/78/33/571307833.db2.gz LWBSPSMLCQASNL-OEAKJJBVSA-N 0 0 410.930 5.585 50 30 HKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc1 ZINC000001858532 568838689 /nfs/dbraw/zinc/83/86/89/568838689.db2.gz PTGLGWAHRZKCGJ-OQKWZONESA-N 0 0 424.566 6.214 50 30 HKEARN O=C(c1ccc(/N=C/c2ccccc2O)cc1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000001862255 569056714 /nfs/dbraw/zinc/05/67/14/569056714.db2.gz FORBLOQNRWCGFE-POAOKBCDSA-N 0 0 420.468 5.830 50 30 HKEARN N#Cc1cc(Oc2ccc(C3CCCCC3)cc2)c(-n2nnc3ccccc32)cc1C#N ZINC000001863694 569056711 /nfs/dbraw/zinc/05/67/11/569056711.db2.gz BDQKMYUBYGRPAT-UHFFFAOYSA-N 0 0 419.488 6.004 50 30 HKEARN Cc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000001864559 569056769 /nfs/dbraw/zinc/05/67/69/569056769.db2.gz IDBNPJPEWUVRMI-UHFFFAOYSA-N 0 0 416.349 5.139 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001867992 519016651 /nfs/dbraw/zinc/01/66/51/519016651.db2.gz REHXXJHZVKPCKP-YVLHZVERSA-N 0 0 422.358 5.964 50 30 HKEARN CCOc1ccccc1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000001868674 571309126 /nfs/dbraw/zinc/30/91/26/571309126.db2.gz JLOHOBWIVWGBGA-MFKUBSTISA-N 0 0 402.885 5.795 50 30 HKEARN CCCCOC(=O)c1ccc(Nc2csc(/N=C/c3ccc(OCC)cc3)n2)cc1 ZINC000001870568 520724550 /nfs/dbraw/zinc/72/45/50/520724550.db2.gz KOVUWEGNGQCNHJ-BUVRLJJBSA-N 0 0 423.538 5.993 50 30 HKEARN Fc1ccc(/C=N/c2csc3nc(-c4ccccc4)cc(-c4ccccc4)c23)cc1 ZINC000001872273 569056839 /nfs/dbraw/zinc/05/68/39/569056839.db2.gz BCCHTWGVHYUMSP-LQKURTRISA-N 0 0 408.501 7.520 50 30 HKEARN C=CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001875105 569006792 /nfs/dbraw/zinc/00/67/92/569006792.db2.gz QNSYRLHJSQYAFI-UHFFFAOYSA-N 0 0 414.574 5.854 50 30 biogenic HKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(F)cc1F ZINC000001875219 523419735 /nfs/dbraw/zinc/41/97/35/523419735.db2.gz VZVDFIWSIBKAGQ-LDADJPATSA-N 0 0 406.428 5.765 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1ccc(Cl)cc1 ZINC000001875598 569056813 /nfs/dbraw/zinc/05/68/13/569056813.db2.gz QLCKARPJDCXLSB-JAIQZWGSSA-N 0 0 421.792 5.084 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000001878346 569056872 /nfs/dbraw/zinc/05/68/72/569056872.db2.gz RYKGNTPQMSECEO-JFLMPSFJSA-N 0 0 412.876 6.681 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000001878383 527346224 /nfs/dbraw/zinc/34/62/24/527346224.db2.gz TZECKOVNVZCWJI-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN Oc1ccc(/N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2s1 ZINC000001879455 557293948 /nfs/dbraw/zinc/29/39/48/557293948.db2.gz ZFIICEYWTYWDGL-NABLLQKMSA-N 0 0 400.459 5.813 50 30 HKEARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1c(F)cccc1Cl ZINC000001881080 569056870 /nfs/dbraw/zinc/05/68/70/569056870.db2.gz MRKUXAXQJGCNBO-KTZMUZOWSA-N 0 0 418.280 5.453 50 30 HKEARN Cc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 ZINC000001881317 569056906 /nfs/dbraw/zinc/05/69/06/569056906.db2.gz IQUFJEPPHAIIQJ-QWMUYQDTSA-N 0 0 423.299 7.231 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000001881332 569056901 /nfs/dbraw/zinc/05/69/01/569056901.db2.gz VPEXJCFJVYMVIX-ZJDMXDFCSA-N 0 0 423.368 7.994 50 30 HKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000001881391 569056887 /nfs/dbraw/zinc/05/68/87/569056887.db2.gz FIKZBTUFDQQTEF-ZVHZXABRSA-N 0 0 404.263 5.973 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000001881403 569056866 /nfs/dbraw/zinc/05/68/66/569056866.db2.gz CSSBNEHCIJMZAA-ZJDMXDFCSA-N 0 0 407.300 7.526 50 30 HKEARN COc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000001881418 557294026 /nfs/dbraw/zinc/29/40/26/557294026.db2.gz YIOYADUVORPGKJ-BHGWPJFGSA-N 0 0 413.260 6.266 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccc(Cl)cc1 ZINC000001881569 525343376 /nfs/dbraw/zinc/34/33/76/525343376.db2.gz CXPUURCVGYYXGZ-DAFNUICNSA-N 0 0 412.002 6.929 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000001881823 569056851 /nfs/dbraw/zinc/05/68/51/569056851.db2.gz OFFLPQQWVNKUFN-WSDLNYQXSA-N 0 0 409.308 6.182 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001882346 520022053 /nfs/dbraw/zinc/02/20/53/520022053.db2.gz BGUCDTHOVCWYJQ-UHFFFAOYSA-N 0 0 407.510 5.785 50 30 biogenic HKEARN Brc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000001882887 569056874 /nfs/dbraw/zinc/05/68/74/569056874.db2.gz DQNMWKBNVGXGTN-BAQHSMLZSA-N 0 0 403.279 6.673 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)sc2c1 ZINC000001883464 569056981 /nfs/dbraw/zinc/05/69/81/569056981.db2.gz NWQXEQPXUPRMCX-FSJBWODESA-N 0 0 423.335 6.490 50 30 HKEARN Cc1ccc(O)c(/N=C/c2ccc(C(=O)Oc3cc(Cl)ccc3Cl)cc2)c1 ZINC000001883683 569056889 /nfs/dbraw/zinc/05/68/89/569056889.db2.gz NMQHKQBAOLCKBY-WYMPLXKRSA-N 0 0 400.261 5.977 50 30 HKEARN C=CCc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1O ZINC000001884249 569056930 /nfs/dbraw/zinc/05/69/30/569056930.db2.gz XIMLDPMWDJFEHJ-RDRPBHBLSA-N 0 0 404.469 6.670 50 30 HKEARN Cc1cc2nc(-c3ccc(C)c(/N=C/c4c(O)ccc5ccccc54)c3)oc2c(C)c1 ZINC000001884438 569056968 /nfs/dbraw/zinc/05/69/68/569056968.db2.gz GURPIKTYNAESLO-RWPZCVJISA-N 0 0 406.485 7.029 50 30 HKEARN Cc1cc2nc(-c3ccc(C)c(/N=C/c4ccc(Br)cc4)c3)oc2c(C)c1 ZINC000001884454 569056972 /nfs/dbraw/zinc/05/69/72/569056972.db2.gz NDJVASANHZFQGK-DHRITJCHSA-N 0 0 419.322 6.933 50 30 HKEARN Cc1cc2nc(-c3ccc(C)c(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000001884457 569056973 /nfs/dbraw/zinc/05/69/73/569056973.db2.gz OHYCKUXJYPFGDK-BRJLIKDPSA-N 0 0 419.868 6.732 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000001884745 526442716 /nfs/dbraw/zinc/44/27/16/526442716.db2.gz BSPSCGHHGJGYCB-JAIQZWGSSA-N 0 0 421.792 5.084 50 30 HKEARN Fc1cccc(-c2nc3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3o2)c1 ZINC000001884855 569056964 /nfs/dbraw/zinc/05/69/64/569056964.db2.gz FAKWBSZOAXLBFZ-JRUCXRJDSA-N 0 0 421.269 6.812 50 30 HKEARN CCOc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5ccccc54)ccc3o2)cc1 ZINC000001885063 569056962 /nfs/dbraw/zinc/05/69/62/569056962.db2.gz BHXKWIXRPGSVCW-JVWAILMASA-N 0 0 408.457 6.503 50 30 HKEARN CCOc1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000001885080 569056927 /nfs/dbraw/zinc/05/69/27/569056927.db2.gz SWCJEUPMQBJTPC-ANHFWIFSSA-N 0 0 413.433 6.217 50 30 HKEARN Clc1cccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1Cl ZINC000001885106 526975097 /nfs/dbraw/zinc/97/50/97/526975097.db2.gz URLZAFJRDGAFHL-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 ZINC000001885578 569056941 /nfs/dbraw/zinc/05/69/41/569056941.db2.gz YUWCHHJJFHLLBT-DFJXIDDLSA-N 0 0 413.433 6.087 50 30 HKEARN Cc1cc2nc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c(C)c1 ZINC000001885598 569056946 /nfs/dbraw/zinc/05/69/46/569056946.db2.gz DDXPXODHFJKMDQ-UMKNWRDPSA-N 0 0 413.433 6.141 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O ZINC000001885698 557294033 /nfs/dbraw/zinc/29/40/33/557294033.db2.gz NGMFWYOZUULLPC-UHFFFAOYSA-N 0 0 421.537 6.093 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000001896176 569057170 /nfs/dbraw/zinc/05/71/70/569057170.db2.gz DFTYVAUNFPSJDJ-PGMHBOJBSA-N 0 0 424.591 5.503 50 30 HKEARN C=CCOc1ccc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)cc1 ZINC000001901722 569057429 /nfs/dbraw/zinc/05/74/29/569057429.db2.gz DZRKYLDVYIQOKP-IUXPMGMMSA-N 0 0 405.306 6.290 50 30 HKEARN CCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000001902472 569057394 /nfs/dbraw/zinc/05/73/94/569057394.db2.gz QKSMULQWSTYCKG-UHFFFAOYSA-N 0 0 416.363 6.087 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCC2 ZINC000001908922 568840298 /nfs/dbraw/zinc/84/02/98/568840298.db2.gz QCWBFSLFNSNTIN-UHFFFAOYSA-N 0 0 409.514 5.966 50 30 HKEARN Cc1ccc(CSc2nncn2/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000001914494 568840477 /nfs/dbraw/zinc/84/04/77/568840477.db2.gz PHYKRYDSLIWPOF-CVKSISIWSA-N 0 0 414.534 5.340 50 30 HKEARN C=CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1OCC)c2=O ZINC000001917347 569006888 /nfs/dbraw/zinc/00/68/88/569006888.db2.gz RZHWKWWKXSJHLS-UHFFFAOYSA-N 0 0 406.356 5.568 50 30 HKEARN Oc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1-c1nc2ccccc2o1 ZINC000001922364 569059652 /nfs/dbraw/zinc/05/96/52/569059652.db2.gz AUWZZTGFLUVHSF-UAZDYKOFSA-N 0 0 419.278 6.379 50 30 HKEARN Fc1cccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)c1 ZINC000001922410 569059629 /nfs/dbraw/zinc/05/96/29/569059629.db2.gz RILVYEOPFIYBDY-PFITVWDTSA-N 0 0 421.269 6.812 50 30 HKEARN Cc1cccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)c1 ZINC000001922459 569059637 /nfs/dbraw/zinc/05/96/37/569059637.db2.gz VJFQRIUSNRTOQI-CGKKIJBTSA-N 0 0 417.306 6.981 50 30 HKEARN Brc1cccc(/C=C/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000001922485 569059616 /nfs/dbraw/zinc/05/96/16/569059616.db2.gz LWHCEAVWTOIXBF-GHRZAKMRSA-N 0 0 403.279 6.673 50 30 HKEARN Fc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 ZINC000001922494 569059606 /nfs/dbraw/zinc/05/96/06/569059606.db2.gz OVXUEMFGEKCHAO-FGZXAJGVSA-N 0 0 421.269 6.812 50 30 HKEARN Oc1cc(/N=C/C=C/c2cccc(Br)c2)ccc1-c1nc2ccccc2o1 ZINC000001922511 569059599 /nfs/dbraw/zinc/05/95/99/569059599.db2.gz CBGXQVHEGVDOKF-UAZDYKOFSA-N 0 0 419.278 6.379 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/C=C/c4cccc(Br)c4)c3)nc2c1 ZINC000001922534 569059641 /nfs/dbraw/zinc/05/96/41/569059641.db2.gz VQDUARHOHZOMJQ-MLZQUUFASA-N 0 0 417.306 6.981 50 30 HKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1 ZINC000001922568 557296569 /nfs/dbraw/zinc/29/65/69/557296569.db2.gz VNJLUJMOYWEPSU-ZVHZXABRSA-N 0 0 420.310 6.074 50 30 HKEARN Fc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)cc1 ZINC000001922745 569059636 /nfs/dbraw/zinc/05/96/36/569059636.db2.gz OFBQHDOSCSFULD-MZJWZYIUSA-N 0 0 416.839 7.298 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000001924065 557296885 /nfs/dbraw/zinc/29/68/85/557296885.db2.gz VNDYLDBDHQIQJO-HBWCYYAZSA-N 0 0 424.500 6.937 50 30 HKEARN N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001932453 569059735 /nfs/dbraw/zinc/05/97/35/569059735.db2.gz LXPJSEWDMCSRPA-UHFFFAOYSA-N 0 0 409.338 5.603 50 30 HKEARN O=C(Nc1ccc(/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 ZINC000001946540 569059893 /nfs/dbraw/zinc/05/98/93/569059893.db2.gz UQYPKBYVCXWCGM-HRLJDNPUSA-N 0 0 405.841 5.916 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000001946580 569059857 /nfs/dbraw/zinc/05/98/57/569059857.db2.gz WTXYKFHWNUCMOT-YSURURNPSA-N 0 0 417.679 6.911 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000001946584 569059853 /nfs/dbraw/zinc/05/98/53/569059853.db2.gz RANVMXCBBQBWLD-YSURURNPSA-N 0 0 417.679 6.911 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1 ZINC000001947828 569059966 /nfs/dbraw/zinc/05/99/66/569059966.db2.gz VZKHTHOHSXOUJB-RDRPBHBLSA-N 0 0 418.496 6.850 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)ccc4O)cc3)nc2c1 ZINC000001947830 569059975 /nfs/dbraw/zinc/05/99/75/569059975.db2.gz HXZLLVRMAHPHQM-RDRPBHBLSA-N 0 0 418.496 6.850 50 30 HKEARN CCOc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000001947847 569059959 /nfs/dbraw/zinc/05/99/59/569059959.db2.gz QXAYXPLPUVBWKW-BUVRLJJBSA-N 0 0 410.311 5.895 50 30 HKEARN Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1cccc2ccccc21 ZINC000001947852 569059912 /nfs/dbraw/zinc/05/99/12/569059912.db2.gz UTHONIRNLIONSN-WGOQTCKBSA-N 0 0 416.318 6.649 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1 ZINC000001949671 520048838 /nfs/dbraw/zinc/04/88/38/520048838.db2.gz HFDSOZDCEAVANJ-UHFFFAOYSA-N 0 0 414.545 7.288 50 30 biogenic HKEARN Cn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000001950158 569059971 /nfs/dbraw/zinc/05/99/71/569059971.db2.gz ANGDAGQGGPNWEC-STBIYBPSSA-N 0 0 401.469 6.728 50 30 HKEARN O=C(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000001951020 568841153 /nfs/dbraw/zinc/84/11/53/568841153.db2.gz IOTXVPQBEQEMNN-UHFFFAOYSA-N 0 0 410.472 5.552 50 30 biogenic HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)sc2c1 ZINC000001951342 526241682 /nfs/dbraw/zinc/24/16/82/526241682.db2.gz MPHGCPOMXWMFKB-YDZHTSKRSA-N 0 0 407.336 6.785 50 30 HKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000001951450 569059939 /nfs/dbraw/zinc/05/99/39/569059939.db2.gz PLCYQUBZGFPZQY-BLZGDTNESA-N 0 0 419.440 6.972 50 30 HKEARN N#Cc1c(/N=C/c2c(O)ccc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001951603 569059931 /nfs/dbraw/zinc/05/99/31/569059931.db2.gz UEBUUOACCKWOGW-UXHLAJHPSA-N 0 0 414.464 7.095 50 30 HKEARN CCCCCCCCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 ZINC000001952229 569059916 /nfs/dbraw/zinc/05/99/16/569059916.db2.gz HSVSBPRBAMJVAA-SAPNQHFASA-N 0 0 408.567 6.688 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000001952960 569059951 /nfs/dbraw/zinc/05/99/51/569059951.db2.gz OWOBRUCILNDRQV-OAMFTAOGSA-N 0 0 400.869 5.542 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2s1 ZINC000001954827 558776333 /nfs/dbraw/zinc/77/63/33/558776333.db2.gz USQUYJHWQMXRNV-WSDLNYQXSA-N 0 0 409.308 6.182 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3c(O)ccc4ccccc43)c2)cc1 ZINC000001955306 569059910 /nfs/dbraw/zinc/05/99/10/569059910.db2.gz BQADPJSZQRAKDT-RDRPBHBLSA-N 0 0 422.528 6.846 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4Cl)ccc3o2)cc1 ZINC000001955866 569059958 /nfs/dbraw/zinc/05/99/58/569059958.db2.gz HCEUMHSQZKHEIS-CJZGEIMDSA-N 0 0 414.936 7.861 50 30 HKEARN N#Cc1c(/N=C/c2ccc(Cl)c(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001956669 526516785 /nfs/dbraw/zinc/51/67/85/526516785.db2.gz MBOPLHAKDIWYEO-RWPZCVJISA-N 0 0 417.295 7.543 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000001958790 569059947 /nfs/dbraw/zinc/05/99/47/569059947.db2.gz NIALMGCWMHMVGU-YSURURNPSA-N 0 0 417.679 6.911 50 30 HKEARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001996306 557298896 /nfs/dbraw/zinc/29/88/96/557298896.db2.gz KAATUXNTWXVJKI-WSTZPKSXSA-N 0 0 416.304 6.178 50 30 world HKEARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001996307 557298805 /nfs/dbraw/zinc/29/88/05/557298805.db2.gz KAATUXNTWXVJKI-QWFCFKBJSA-N 0 0 416.304 6.178 50 30 in-man HKEARN CCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000002023888 569064461 /nfs/dbraw/zinc/06/44/61/569064461.db2.gz RKPMPVPMDPTLRO-UHFFFAOYSA-N 0 0 409.276 5.389 50 30 biogenic HKEARN CCCCCCCOC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 ZINC000002024215 569065092 /nfs/dbraw/zinc/06/50/92/569065092.db2.gz NXMRROVISCMAIK-UHFFFAOYSA-N 0 0 420.303 5.191 50 30 biogenic HKEARN CCCCCCCc1cnc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)nc1 ZINC000002024462 569065129 /nfs/dbraw/zinc/06/51/29/569065129.db2.gz QYJJROFGMOETRA-UHFFFAOYSA-N 0 0 400.610 8.056 50 30 HKEARN CCCCCCCC(=O)Oc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000002027720 569068766 /nfs/dbraw/zinc/06/87/66/569068766.db2.gz QWLYSNCLYHQPDA-UHFFFAOYSA-N 0 0 410.539 6.123 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000002027732 569068778 /nfs/dbraw/zinc/06/87/78/569068778.db2.gz LZLXGKMEQBMAMF-QHCPKHFHSA-N 0 0 413.605 7.748 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000002027736 520048911 /nfs/dbraw/zinc/04/89/11/520048911.db2.gz LZLXGKMEQBMAMF-HSZRJFAPSA-N 0 0 413.605 7.748 50 30 HKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000002028396 569068862 /nfs/dbraw/zinc/06/88/62/569068862.db2.gz QVKIYPSAGUFRAQ-HMAPJEAMSA-N 0 0 414.917 6.538 50 30 HKEARN C=CCN1N=C(c2ccc(Br)cc2)SC(C)=C1c1ccc(OC)cc1 ZINC000002030338 569070035 /nfs/dbraw/zinc/07/00/35/569070035.db2.gz MMAPUTSIQJSICI-UHFFFAOYSA-N 0 0 415.356 5.743 50 30 HKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(I)cc2)cc1 ZINC000002030408 557299786 /nfs/dbraw/zinc/29/97/86/557299786.db2.gz HGGVOPPKHJQZKG-UHFFFAOYSA-N 0 0 422.306 6.023 50 30 biogenic HKEARN CCCCCCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002030414 557299739 /nfs/dbraw/zinc/29/97/39/557299739.db2.gz DSXLBLZPGUYBRQ-UHFFFAOYSA-N 0 0 402.403 5.071 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002031129 557300037 /nfs/dbraw/zinc/30/00/37/557300037.db2.gz KENWQECBAMSFJW-NRFANRHFSA-N 0 0 415.961 5.677 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002031131 557300112 /nfs/dbraw/zinc/30/01/12/557300112.db2.gz KENWQECBAMSFJW-OAQYLSRUSA-N 0 0 415.961 5.677 50 30 HKEARN CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br ZINC000002039317 519966652 /nfs/dbraw/zinc/96/66/52/519966652.db2.gz DQKWXTIYGWPGOO-UHFFFAOYSA-N 0 0 403.114 5.349 50 30 HKEARN O=C(/C=C/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCCS1 ZINC000002049027 557300335 /nfs/dbraw/zinc/30/03/35/557300335.db2.gz ODXCQLWOQQSCFY-ZHSNXSORSA-N 0 0 406.572 6.180 50 30 HKEARN CN(C)c1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 ZINC000002049082 557300361 /nfs/dbraw/zinc/30/03/61/557300361.db2.gz JRZODULEQIWSLY-NTCAYCPXSA-N 0 0 423.603 5.690 50 30 HKEARN CCCCSc1ccc(C#CCCC#Cc2ccc(SCCCC)cc2)cc1 ZINC000002049144 520977069 /nfs/dbraw/zinc/97/70/69/520977069.db2.gz AATSFJXTXSBSNF-UHFFFAOYSA-N 0 0 406.660 7.654 50 30 HKEARN CCCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 ZINC000002049159 569071039 /nfs/dbraw/zinc/07/10/39/569071039.db2.gz CQYURYIPTZNDOF-UHFFFAOYSA-N 0 0 415.577 7.442 50 30 HKEARN CCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 ZINC000002049167 569071035 /nfs/dbraw/zinc/07/10/35/569071035.db2.gz OQCCXULSCSKBBR-UHFFFAOYSA-N 0 0 401.550 7.052 50 30 HKEARN CCCCCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CCCCC)cc3)cc2)cc1 ZINC000002049273 557300332 /nfs/dbraw/zinc/30/03/32/557300332.db2.gz GPRHCWAVIORMGD-QBRCKEFASA-N 0 0 424.632 8.653 50 30 HKEARN CCCCCCCCCC(=O)Oc1c(=O)c2ccccc2oc1-c1ccc(OC)cc1 ZINC000002049301 560186471 /nfs/dbraw/zinc/18/64/71/560186471.db2.gz ZEKYDSPAXXMQPD-UHFFFAOYSA-N 0 0 422.521 6.515 50 30 biogenic,in-vitro HKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccc(F)cc1 ZINC000002051225 569072185 /nfs/dbraw/zinc/07/21/85/569072185.db2.gz NSYKDVBVTATUEE-UHFFFAOYSA-N 0 0 414.480 6.858 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N ZINC000002051226 569072202 /nfs/dbraw/zinc/07/22/02/569072202.db2.gz DMGDYUQVQNICIY-OAHLLOKOSA-N 0 0 406.482 5.470 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N ZINC000002051227 569072184 /nfs/dbraw/zinc/07/21/84/569072184.db2.gz DMGDYUQVQNICIY-HNNXBMFYSA-N 0 0 406.482 5.470 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccncc3)c2C#N)cc1 ZINC000002051246 569072194 /nfs/dbraw/zinc/07/21/94/569072194.db2.gz OCXIJPUMRUNJRS-UHFFFAOYSA-N 0 0 409.514 5.983 50 30 HKEARN N#Cc1c(SCCOc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000002051509 569072154 /nfs/dbraw/zinc/07/21/54/569072154.db2.gz HYLAZZKHSJKMDP-UHFFFAOYSA-N 0 0 406.454 5.872 50 30 HKEARN N#Cc1c(SCc2ccccn2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000002051515 569072190 /nfs/dbraw/zinc/07/21/90/569072190.db2.gz LGQZPYVEVCKHNR-UHFFFAOYSA-N 0 0 419.962 6.689 50 30 HKEARN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000002052410 557301684 /nfs/dbraw/zinc/30/16/84/557301684.db2.gz IZOXGRNBIJBELF-AATRIKPKSA-N 0 0 405.506 6.218 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002052748 557301582 /nfs/dbraw/zinc/30/15/82/557301582.db2.gz XCQHBEFAFKOBRJ-FQEVSTJZSA-N 0 0 401.934 5.287 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002052749 520700298 /nfs/dbraw/zinc/70/02/98/520700298.db2.gz XCQHBEFAFKOBRJ-HXUWFJFHSA-N 0 0 401.934 5.287 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002052752 569006935 /nfs/dbraw/zinc/00/69/35/569006935.db2.gz UNDLDHLTMBHATK-UHFFFAOYSA-N 0 0 414.574 5.605 50 30 biogenic HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c(Cl)cccc1Cl ZINC000002053041 569072456 /nfs/dbraw/zinc/07/24/56/569072456.db2.gz YLYILLHISBAFNT-DEOSSOPVSA-N 0 0 422.355 7.456 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c(Cl)cccc1Cl ZINC000002053042 569072459 /nfs/dbraw/zinc/07/24/59/569072459.db2.gz YLYILLHISBAFNT-XMMPIXPASA-N 0 0 422.355 7.456 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)c(C)c3)nc2c1 ZINC000002053126 557301639 /nfs/dbraw/zinc/30/16/39/557301639.db2.gz ICWMMUTWUCVMMQ-RPPGKUMJSA-N 0 0 404.897 6.838 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc(Cl)cc1Cl ZINC000002053144 557301630 /nfs/dbraw/zinc/30/16/30/557301630.db2.gz XFFMJSMEDIYHSR-OPEKNORGSA-N 0 0 415.707 7.514 50 30 HKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002053244 557301963 /nfs/dbraw/zinc/30/19/63/557301963.db2.gz ZKHFICIRSYCUDS-WQRHYEAKSA-N 0 0 415.301 6.145 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002053513 557301986 /nfs/dbraw/zinc/30/19/86/557301986.db2.gz AZQYFRXPXGIPQK-JRUCXRJDSA-N 0 0 417.852 6.781 50 30 HKEARN CCCCc1ccc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)cc1 ZINC000002053894 521264106 /nfs/dbraw/zinc/26/41/06/521264106.db2.gz LUSNKOIYHHWIIP-KOEQRZSOSA-N 0 0 404.583 5.757 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3)c2C#N)cc1 ZINC000002054204 569072173 /nfs/dbraw/zinc/07/21/73/569072173.db2.gz HEKMZIDPQFENPB-UHFFFAOYSA-N 0 0 408.526 6.588 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3C)c2C#N)cc1 ZINC000002054287 569072170 /nfs/dbraw/zinc/07/21/70/569072170.db2.gz MLWPCMRBEOTARS-UHFFFAOYSA-N 0 0 422.553 6.897 50 30 HKEARN CCN(CC)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002054310 520922148 /nfs/dbraw/zinc/92/21/48/520922148.db2.gz QEUIHGYNAITZIF-NDEPHWFRSA-N 0 0 424.588 6.996 50 30 HKEARN CCN(CC)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002054311 557301928 /nfs/dbraw/zinc/30/19/28/557301928.db2.gz QEUIHGYNAITZIF-MUUNZHRXSA-N 0 0 424.588 6.996 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000002054594 520701028 /nfs/dbraw/zinc/70/10/28/520701028.db2.gz LLKCXZSQOUEMGQ-FQEVSTJZSA-N 0 0 401.934 5.287 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000002054595 557301914 /nfs/dbraw/zinc/30/19/14/557301914.db2.gz LLKCXZSQOUEMGQ-HXUWFJFHSA-N 0 0 401.934 5.287 50 30 HKEARN C=CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054764 569006883 /nfs/dbraw/zinc/00/68/83/569006883.db2.gz YKNCQYTYHBMPBK-UHFFFAOYSA-N 0 0 420.622 6.137 50 30 biogenic HKEARN CCCCCCCCc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 ZINC000002054786 557302131 /nfs/dbraw/zinc/30/21/31/557302131.db2.gz HMTGWGJNCYKZFG-UHFFFAOYSA-N 0 0 424.588 7.897 50 30 HKEARN Cc1cc(Cl)ccc1-c1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)o1 ZINC000002054824 557302160 /nfs/dbraw/zinc/30/21/60/557302160.db2.gz ASAOXEJQDOWNDH-JFLMPSFJSA-N 0 0 412.876 7.467 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 ZINC000002055183 557302122 /nfs/dbraw/zinc/30/21/22/557302122.db2.gz PQJYIXZOKKKYIZ-QHCPKHFHSA-N 0 0 409.570 5.586 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 ZINC000002055184 557302156 /nfs/dbraw/zinc/30/21/56/557302156.db2.gz PQJYIXZOKKKYIZ-HSZRJFAPSA-N 0 0 409.570 5.586 50 30 HKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002055193 518972296 /nfs/dbraw/zinc/97/22/96/518972296.db2.gz IDGXRFKTFSTXIZ-GOSISDBHSA-N 0 0 420.336 5.327 50 30 HKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000002055194 557302185 /nfs/dbraw/zinc/30/21/85/557302185.db2.gz IDGXRFKTFSTXIZ-SFHVURJKSA-N 0 0 420.336 5.327 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C ZINC000002055209 557302133 /nfs/dbraw/zinc/30/21/33/557302133.db2.gz VVMLVCUTJOXYDN-QHCPKHFHSA-N 0 0 411.542 5.175 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C ZINC000002055210 557302172 /nfs/dbraw/zinc/30/21/72/557302172.db2.gz VVMLVCUTJOXYDN-HSZRJFAPSA-N 0 0 411.542 5.175 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000002055223 557302127 /nfs/dbraw/zinc/30/21/27/557302127.db2.gz MACBXHPCVLKNPP-NRFANRHFSA-N 0 0 415.961 5.677 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002055224 557302168 /nfs/dbraw/zinc/30/21/68/557302168.db2.gz MACBXHPCVLKNPP-OAQYLSRUSA-N 0 0 415.961 5.677 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C ZINC000002055243 557302401 /nfs/dbraw/zinc/30/24/01/557302401.db2.gz RJGMUFJJQIVNED-QFIPXVFZSA-N 0 0 411.542 5.031 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C ZINC000002055244 557302476 /nfs/dbraw/zinc/30/24/76/557302476.db2.gz RJGMUFJJQIVNED-JOCHJYFZSA-N 0 0 411.542 5.031 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000002055343 557302363 /nfs/dbraw/zinc/30/23/63/557302363.db2.gz BHZDCLRZZMTVNJ-NRFANRHFSA-N 0 0 415.961 5.677 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000002055344 557302430 /nfs/dbraw/zinc/30/24/30/557302430.db2.gz BHZDCLRZZMTVNJ-OAQYLSRUSA-N 0 0 415.961 5.677 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000002055347 557302449 /nfs/dbraw/zinc/30/24/49/557302449.db2.gz GDKOVKMDDBQQTR-IBGZPJMESA-N 0 0 407.432 5.017 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000002055348 557302441 /nfs/dbraw/zinc/30/24/41/557302441.db2.gz GDKOVKMDDBQQTR-LJQANCHMSA-N 0 0 407.432 5.017 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000002055365 557302368 /nfs/dbraw/zinc/30/23/68/557302368.db2.gz WZEJBSSGRVQZPZ-IBGZPJMESA-N 0 0 421.459 5.263 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000002055366 557302342 /nfs/dbraw/zinc/30/23/42/557302342.db2.gz WZEJBSSGRVQZPZ-LJQANCHMSA-N 0 0 421.459 5.263 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000002055379 557302413 /nfs/dbraw/zinc/30/24/13/557302413.db2.gz NSDMOOBYHONPLO-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000002055380 557302456 /nfs/dbraw/zinc/30/24/56/557302456.db2.gz NSDMOOBYHONPLO-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000002055413 557302426 /nfs/dbraw/zinc/30/24/26/557302426.db2.gz AWEYIZJXSCJPFC-FQEVSTJZSA-N 0 0 401.934 5.287 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002055414 557302354 /nfs/dbraw/zinc/30/23/54/557302354.db2.gz AWEYIZJXSCJPFC-HXUWFJFHSA-N 0 0 401.934 5.287 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC ZINC000002055423 557302433 /nfs/dbraw/zinc/30/24/33/557302433.db2.gz LDEOLPVWZUDQMX-QHCPKHFHSA-N 0 0 411.542 5.177 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCC ZINC000002055424 557302348 /nfs/dbraw/zinc/30/23/48/557302348.db2.gz LDEOLPVWZUDQMX-HSZRJFAPSA-N 0 0 411.542 5.177 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl ZINC000002055429 557302479 /nfs/dbraw/zinc/30/24/79/557302479.db2.gz IABHNQFXUFEWBC-IBGZPJMESA-N 0 0 422.352 5.695 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002055430 557302420 /nfs/dbraw/zinc/30/24/20/557302420.db2.gz IABHNQFXUFEWBC-LJQANCHMSA-N 0 0 422.352 5.695 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000002055433 557302720 /nfs/dbraw/zinc/30/27/20/557302720.db2.gz CDEVEDPYJSIJBR-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 ZINC000002055434 557302669 /nfs/dbraw/zinc/30/26/69/557302669.db2.gz CDEVEDPYJSIJBR-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c(O)ccc2ccccc21 ZINC000002055613 557302744 /nfs/dbraw/zinc/30/27/44/557302744.db2.gz MMGJGYSZNXSKBH-MZJWZYIUSA-N 0 0 412.876 7.066 50 30 HKEARN CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002055829 557302776 /nfs/dbraw/zinc/30/27/76/557302776.db2.gz ROTLXVRFFHULKP-UHFFFAOYSA-N 0 0 406.526 5.414 50 30 HKEARN C=CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCCC)nc3O2)cc1 ZINC000002057173 569006922 /nfs/dbraw/zinc/00/69/22/569006922.db2.gz BXSJWENNTJUSGK-HXUWFJFHSA-N 0 0 406.511 5.109 50 30 HKEARN C=CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SCCC)nc3O2)cc1 ZINC000002057174 569006857 /nfs/dbraw/zinc/00/68/57/569006857.db2.gz BXSJWENNTJUSGK-FQEVSTJZSA-N 0 0 406.511 5.109 50 30 HKEARN CCCCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N ZINC000002057837 569072164 /nfs/dbraw/zinc/07/21/64/569072164.db2.gz TWROFCHYOWKJDU-UHFFFAOYSA-N 0 0 407.311 6.229 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 ZINC000002059232 557303527 /nfs/dbraw/zinc/30/35/27/557303527.db2.gz OKGAMBZFPNJGBE-DEOSSOPVSA-N 0 0 422.355 7.456 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 ZINC000002059233 557303473 /nfs/dbraw/zinc/30/34/73/557303473.db2.gz OKGAMBZFPNJGBE-XMMPIXPASA-N 0 0 422.355 7.456 50 30 HKEARN N#Cc1ccccc1CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002059293 569072160 /nfs/dbraw/zinc/07/21/60/569072160.db2.gz JUMPFLAKLQECHD-UHFFFAOYSA-N 0 0 403.510 6.451 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc3ccccc31)Nc1ccc3ccccc3c12 ZINC000002059366 557303471 /nfs/dbraw/zinc/30/34/71/557303471.db2.gz FXPSLLYYUQMIJI-NDEPHWFRSA-N 0 0 403.525 7.303 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc3ccccc31)Nc1ccc3ccccc3c12 ZINC000002059367 557303529 /nfs/dbraw/zinc/30/35/29/557303529.db2.gz FXPSLLYYUQMIJI-MUUNZHRXSA-N 0 0 403.525 7.303 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccccc2Cl)cc1 ZINC000002060104 557303690 /nfs/dbraw/zinc/30/36/90/557303690.db2.gz PJGMCVIJEUZZJF-JVWAILMASA-N 0 0 401.941 6.786 50 30 HKEARN C=CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 ZINC000002060145 569006912 /nfs/dbraw/zinc/00/69/12/569006912.db2.gz XVCMHNZBUBZITH-UHFFFAOYSA-N 0 0 412.558 6.356 50 30 HKEARN COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000002060195 569072167 /nfs/dbraw/zinc/07/21/67/569072167.db2.gz JUQUWXYEINVOBR-UHFFFAOYSA-N 0 0 408.457 5.675 50 30 biogenic HKEARN CCN(CC)c1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1 ZINC000002060347 569072821 /nfs/dbraw/zinc/07/28/21/569072821.db2.gz NEFRBHUQPZFFFW-UHFFFAOYSA-N 0 0 423.670 7.297 50 30 HKEARN C=CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060618 569006874 /nfs/dbraw/zinc/00/68/74/569006874.db2.gz RMZNTCFFMVXXQO-UHFFFAOYSA-N 0 0 420.622 6.137 50 30 HKEARN N#CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060670 557303988 /nfs/dbraw/zinc/30/39/88/557303988.db2.gz VUYIHENMYHJTOP-UHFFFAOYSA-N 0 0 419.594 5.789 50 30 biogenic HKEARN C#CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060671 569006898 /nfs/dbraw/zinc/00/68/98/569006898.db2.gz ZEWYAZINUPGTCC-UHFFFAOYSA-N 0 0 418.606 5.899 50 30 biogenic HKEARN C=C(C)COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002061383 569073529 /nfs/dbraw/zinc/07/35/29/569073529.db2.gz SCHHZHVRMIFJNV-HYARGMPZSA-N 0 0 413.473 5.538 50 30 HKEARN C=C(C)COc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002061384 569006932 /nfs/dbraw/zinc/00/69/32/569006932.db2.gz SCHHZHVRMIFJNV-HMAPJEAMSA-N 0 0 413.473 5.538 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O ZINC000002062740 557304832 /nfs/dbraw/zinc/30/48/32/557304832.db2.gz YPAYCEXWXRVKKV-UHFFFAOYSA-N 0 0 421.537 6.093 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000002062741 557304842 /nfs/dbraw/zinc/30/48/42/557304842.db2.gz ATXDZHGGQORCKS-UHFFFAOYSA-N 0 0 407.510 5.621 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000002062747 557304807 /nfs/dbraw/zinc/30/48/07/557304807.db2.gz LZJNYCYNMGQUPU-UHFFFAOYSA-N 0 0 421.537 6.093 50 30 HKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000002062783 557304851 /nfs/dbraw/zinc/30/48/51/557304851.db2.gz WRERGFFNWISAIW-UHFFFAOYSA-N 0 0 415.489 5.768 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000002062811 557304829 /nfs/dbraw/zinc/30/48/29/557304829.db2.gz NRMNFIYQFWDLPP-UHFFFAOYSA-N 0 0 409.482 5.013 50 30 HKEARN CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1C ZINC000002062829 557304811 /nfs/dbraw/zinc/30/48/11/557304811.db2.gz BITHWYMMGYOOJS-UHFFFAOYSA-N 0 0 420.553 5.722 50 30 HKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O ZINC000002062837 557304793 /nfs/dbraw/zinc/30/47/93/557304793.db2.gz IDGBRBWADQGRNJ-UHFFFAOYSA-N 0 0 413.901 5.576 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000002062841 557304854 /nfs/dbraw/zinc/30/48/54/557304854.db2.gz NDPUMIQWYGNWMS-UHFFFAOYSA-N 0 0 413.901 5.658 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000002062855 557304784 /nfs/dbraw/zinc/30/47/84/557304784.db2.gz PWXGSOXXQCDVLQ-UHFFFAOYSA-N 0 0 413.901 5.658 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O ZINC000002062876 557305004 /nfs/dbraw/zinc/30/50/04/557305004.db2.gz VKQUWAXIJFVELT-UHFFFAOYSA-N 0 0 407.510 5.621 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000002062881 557305068 /nfs/dbraw/zinc/30/50/68/557305068.db2.gz FEEWKSSWAMXTFC-UHFFFAOYSA-N 0 0 407.510 5.621 50 30 HKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O ZINC000002062961 557305030 /nfs/dbraw/zinc/30/50/30/557305030.db2.gz XPRJLBWBJKSGQP-UHFFFAOYSA-N 0 0 409.482 5.013 50 30 HKEARN CCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C ZINC000002062965 557305043 /nfs/dbraw/zinc/30/50/43/557305043.db2.gz KKJGRPLXGVOBBJ-UHFFFAOYSA-N 0 0 406.526 5.251 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc21 ZINC000002063660 557305320 /nfs/dbraw/zinc/30/53/20/557305320.db2.gz BXUDIGSAAKDLMT-QHCPKHFHSA-N 0 0 403.522 5.397 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc21 ZINC000002063661 557305269 /nfs/dbraw/zinc/30/52/69/557305269.db2.gz BXUDIGSAAKDLMT-HSZRJFAPSA-N 0 0 403.522 5.397 50 30 HKEARN N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2 ZINC000002063767 569072925 /nfs/dbraw/zinc/07/29/25/569072925.db2.gz SNRBHNRNMBFZDR-UHFFFAOYSA-N 0 0 407.347 6.272 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000002064000 569073783 /nfs/dbraw/zinc/07/37/83/569073783.db2.gz SJBMYJLIPBQGPK-QGZVFWFLSA-N 0 0 402.519 5.639 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000002064001 569073769 /nfs/dbraw/zinc/07/37/69/569073769.db2.gz SJBMYJLIPBQGPK-KRWDZBQOSA-N 0 0 402.519 5.639 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000002066169 557305940 /nfs/dbraw/zinc/30/59/40/557305940.db2.gz XKEPJVJTJPXZRZ-QHCPKHFHSA-N 0 0 424.585 5.090 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000002066170 557305812 /nfs/dbraw/zinc/30/58/12/557305812.db2.gz XKEPJVJTJPXZRZ-HSZRJFAPSA-N 0 0 424.585 5.090 50 30 HKEARN CC(C)c1ccc(S(=O)(=O)ON=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 ZINC000002066718 557305935 /nfs/dbraw/zinc/30/59/35/557305935.db2.gz KCNLIPMOPSONRT-UHFFFAOYSA-N 0 0 417.571 5.399 50 30 HKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2ccccc2)c2c1CCCC2 ZINC000002066770 569074043 /nfs/dbraw/zinc/07/40/43/569074043.db2.gz JPUXCNMOXGUZIH-UHFFFAOYSA-N 0 0 414.530 5.335 50 30 HKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1 ZINC000002067047 557306179 /nfs/dbraw/zinc/30/61/79/557306179.db2.gz UWLASOSIFLFLDH-MNAVYHJGSA-N 0 0 414.745 6.304 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1 ZINC000002067049 557306065 /nfs/dbraw/zinc/30/60/65/557306065.db2.gz UWLASOSIFLFLDH-YYPWLFCJSA-N 0 0 414.745 6.304 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000002067134 557306184 /nfs/dbraw/zinc/30/61/84/557306184.db2.gz AMWSUGFUPWMVGV-XMMPIXPASA-N 0 0 421.462 7.168 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(C(F)(F)F)c1 ZINC000002067135 557306126 /nfs/dbraw/zinc/30/61/26/557306126.db2.gz AMWSUGFUPWMVGV-DEOSSOPVSA-N 0 0 421.462 7.168 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4O)cc3)nc2c1 ZINC000002067240 557306168 /nfs/dbraw/zinc/30/61/68/557306168.db2.gz HRZQGPGURSBFRC-OGLMXYFKSA-N 0 0 404.469 6.926 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4O)cc3)sc2c1 ZINC000002067242 557306082 /nfs/dbraw/zinc/30/60/82/557306082.db2.gz LMXZVEXYZINABF-OGLMXYFKSA-N 0 0 420.537 7.395 50 30 HKEARN Clc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 ZINC000002067248 557306090 /nfs/dbraw/zinc/30/60/90/557306090.db2.gz VURVLRXJMWSLDU-DFJXIDDLSA-N 0 0 409.341 7.686 50 30 HKEARN Cc1cccc2oc(-c3cccc(/N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc21 ZINC000002067253 557306101 /nfs/dbraw/zinc/30/61/01/557306101.db2.gz GXYAINUVUBJNOW-ONMJDPHWSA-N 0 0 407.300 7.526 50 30 HKEARN C=CCN1C(=O)/C(=C/C=C2/Oc3ccc(-c4ccccc4)cc3N2CC)SC1=S ZINC000002067394 569006920 /nfs/dbraw/zinc/00/69/20/569006920.db2.gz HYXGOFLHKDYZQF-AYRZQKSOSA-N 0 0 420.559 5.344 50 30 HKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1 ZINC000002068563 557306458 /nfs/dbraw/zinc/30/64/58/557306458.db2.gz CZAXYDXHRJWAMM-JCMHNJIXSA-N 0 0 416.502 5.166 50 30 HKEARN O=C1c2ccccc2S/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002068758 557306371 /nfs/dbraw/zinc/30/63/71/557306371.db2.gz CXAOGIXDVASSPK-JAIQZWGSSA-N 0 0 420.402 5.625 50 30 HKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2 ZINC000002069088 557306628 /nfs/dbraw/zinc/30/66/28/557306628.db2.gz DRPWEQZUIQKYDO-BHGWPJFGSA-N 0 0 401.318 6.816 50 30 HKEARN CCCCCCCc1ccc(-c2nnc(-c3ccccc3Br)s2)cc1 ZINC000002069135 557306671 /nfs/dbraw/zinc/30/66/71/557306671.db2.gz WEIXJPRKIGBBIA-UHFFFAOYSA-N 0 0 415.400 7.148 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 ZINC000002070391 557307094 /nfs/dbraw/zinc/30/70/94/557307094.db2.gz VAKOUGHITSTNND-NCELDCMTSA-N 0 0 418.577 7.531 50 30 HKEARN O=C(c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1 ZINC000002070659 569006855 /nfs/dbraw/zinc/00/68/55/569006855.db2.gz CQCNRSYTVJZASQ-UHFFFAOYSA-N 0 0 418.442 5.995 50 30 HKEARN C=CCOc1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1OCC=C ZINC000002070900 569277564 /nfs/dbraw/zinc/27/75/64/569277564.db2.gz FPQIEMNIEDUARA-PXLXIMEGSA-N 0 0 411.457 5.314 50 30 HKEARN C=CCOc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OCC=C ZINC000002070901 569006861 /nfs/dbraw/zinc/00/68/61/569006861.db2.gz FPQIEMNIEDUARA-JCMHNJIXSA-N 0 0 411.457 5.314 50 30 HKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002071223 557307161 /nfs/dbraw/zinc/30/71/61/557307161.db2.gz KUCAHHPJQIYJAU-NDEPHWFRSA-N 0 0 424.588 6.996 50 30 HKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 ZINC000002071224 557307124 /nfs/dbraw/zinc/30/71/24/557307124.db2.gz KUCAHHPJQIYJAU-MUUNZHRXSA-N 0 0 424.588 6.996 50 30 HKEARN C=CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002071320 569006914 /nfs/dbraw/zinc/00/69/14/569006914.db2.gz WNAWJFJSGSQCOR-UHFFFAOYSA-N 0 0 400.547 5.546 50 30 biogenic HKEARN O=C(NC(c1c[nH]c2ccccc21)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 ZINC000002072447 557307413 /nfs/dbraw/zinc/30/74/13/557307413.db2.gz RVQBIOMTSRUCPY-UHFFFAOYSA-N 0 0 404.285 5.057 50 30 HKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCc1ccccc1 ZINC000002072519 569267868 /nfs/dbraw/zinc/26/78/68/569267868.db2.gz DKQCPAQQKITQIJ-UHFFFAOYSA-N 0 0 412.945 7.233 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000002072522 569277569 /nfs/dbraw/zinc/27/75/69/569277569.db2.gz JMWDMTMILOUZEC-UHFFFAOYSA-N 0 0 408.526 6.588 50 30 HKEARN C[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2 ZINC000002072914 569270465 /nfs/dbraw/zinc/27/04/65/569270465.db2.gz BLTGNXYRKADYAR-SFHVURJKSA-N 0 0 410.583 6.245 50 30 HKEARN C[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2 ZINC000002072915 569270437 /nfs/dbraw/zinc/27/04/37/569270437.db2.gz BLTGNXYRKADYAR-GOSISDBHSA-N 0 0 410.583 6.245 50 30 HKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC1CCCCC1 ZINC000002073113 569271230 /nfs/dbraw/zinc/27/12/30/569271230.db2.gz YAHXSBKTZQHICJ-UHFFFAOYSA-N 0 0 418.993 7.613 50 30 HKEARN CCOc1cc(/C=C2/N=C(SC)SC2=O)cc(Cl)c1OCc1ccccc1 ZINC000002073715 569277632 /nfs/dbraw/zinc/27/76/32/569277632.db2.gz ZHDMCSKRBVCLON-MHWRWJLKSA-N 0 0 419.955 5.651 50 30 HKEARN CCOc1cc(/C=C2\N=C(SC)SC2=O)cc(Cl)c1OCc1ccccc1 ZINC000002073716 557307668 /nfs/dbraw/zinc/30/76/68/557307668.db2.gz ZHDMCSKRBVCLON-YBEGLDIGSA-N 0 0 419.955 5.651 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002073799 569006897 /nfs/dbraw/zinc/00/68/97/569006897.db2.gz ILELPLCSZDSXBC-QGZVFWFLSA-N 0 0 417.321 5.627 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1-2 ZINC000002073800 569006873 /nfs/dbraw/zinc/00/68/73/569006873.db2.gz ILELPLCSZDSXBC-KRWDZBQOSA-N 0 0 417.321 5.627 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCCC)Nc1ccccc1-2 ZINC000002073833 569006913 /nfs/dbraw/zinc/00/69/13/569006913.db2.gz HABPTJFAOQWHCA-NRFANRHFSA-N 0 0 420.538 5.499 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCCCC)Nc1ccccc1-2 ZINC000002073834 569006881 /nfs/dbraw/zinc/00/68/81/569006881.db2.gz HABPTJFAOQWHCA-OAQYLSRUSA-N 0 0 420.538 5.499 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000002074775 557308284 /nfs/dbraw/zinc/30/82/84/557308284.db2.gz RESVPDVCOXCQCV-LJAQVGFWSA-N 0 0 401.509 7.180 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000002074776 557308250 /nfs/dbraw/zinc/30/82/50/557308250.db2.gz RESVPDVCOXCQCV-GDLZYMKVSA-N 0 0 401.509 7.180 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 ZINC000002075440 569272776 /nfs/dbraw/zinc/27/27/76/569272776.db2.gz RBLCPKJFXJPVLK-UHFFFAOYSA-N 0 0 406.510 6.262 50 30 HKEARN Cc1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 ZINC000002075491 557308222 /nfs/dbraw/zinc/30/82/22/557308222.db2.gz ASHQZFARNIMJTG-AFUMVMLFSA-N 0 0 405.906 6.833 50 30 HKEARN CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1O ZINC000002075609 557308236 /nfs/dbraw/zinc/30/82/36/557308236.db2.gz UBSSYDOYBWUFQK-OGLMXYFKSA-N 0 0 408.457 6.340 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)c2ccccc21 ZINC000002076290 569006891 /nfs/dbraw/zinc/00/68/91/569006891.db2.gz JKCKHWUASQSBBG-BKUYFWCQSA-N 0 0 421.953 6.180 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c2ccccc21 ZINC000002076292 569006910 /nfs/dbraw/zinc/00/69/10/569006910.db2.gz BLUPNJCNWDHCCM-BKUYFWCQSA-N 0 0 421.953 6.180 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(C)c(C)c3)=NC2=O)c2ccccc21 ZINC000002076306 569006904 /nfs/dbraw/zinc/00/69/04/569006904.db2.gz XMMAJFOXRKJDKD-HMAPJEAMSA-N 0 0 401.535 5.835 50 30 HKEARN C=CCn1c(C)c(/C=C2\S/C(=N\c3ccc(Cl)cc3C)NC2=O)c2ccccc21 ZINC000002076565 557308280 /nfs/dbraw/zinc/30/82/80/557308280.db2.gz JQLVUHNHASXSBL-BKUYFWCQSA-N 0 0 421.953 5.989 50 30 HKEARN COc1ccc(-c2oc(/N=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000002076758 557308230 /nfs/dbraw/zinc/30/82/30/557308230.db2.gz WMYANRVOYOUGCS-OGLMXYFKSA-N 0 0 408.457 6.253 50 30 HKEARN COC(=O)c1cc2ccc(/C=C/C#Cc3c(C)cc(C)cc3C)cc2c2ccccc12 ZINC000002077643 569006901 /nfs/dbraw/zinc/00/69/01/569006901.db2.gz RKZSUNRBATZZKT-WEVVVXLNSA-N 0 0 404.509 6.770 50 30 HKEARN Cc1cc(C)cc(C#C/C=C/c2cc3c(-c4ccccc4)cccc3c3ccccc23)c1 ZINC000002077649 569006867 /nfs/dbraw/zinc/00/68/67/569006867.db2.gz FXWSZGKVNFBGIL-VGOFMYFVSA-N 0 0 408.544 8.342 50 30 HKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002080210 569277804 /nfs/dbraw/zinc/27/78/04/569277804.db2.gz GUTVXBXTNRHXDZ-UHFFFAOYSA-N 0 0 402.947 5.648 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc21 ZINC000002080221 557309385 /nfs/dbraw/zinc/30/93/85/557309385.db2.gz WGNRMBSESVBXPK-DEOSSOPVSA-N 0 0 417.549 5.787 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc21 ZINC000002080222 557309529 /nfs/dbraw/zinc/30/95/29/557309529.db2.gz WGNRMBSESVBXPK-XMMPIXPASA-N 0 0 417.549 5.787 50 30 HKEARN C=CCOc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)c(OCC=C)c1 ZINC000002081059 569278413 /nfs/dbraw/zinc/27/84/13/569278413.db2.gz KOGDNUWQKYKESM-KQWNVCNZSA-N 0 0 411.457 5.314 50 30 HKEARN C=CCOc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC=C ZINC000002081123 569278382 /nfs/dbraw/zinc/27/83/82/569278382.db2.gz FIYUDZLXMKPHGE-LTGZKZEYSA-N 0 0 417.505 5.458 50 30 HKEARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002081413 569277855 /nfs/dbraw/zinc/27/78/55/569277855.db2.gz VAUIKRCUVDVMES-AWEZNQCLSA-N 0 0 402.947 5.647 50 30 HKEARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002081414 569277787 /nfs/dbraw/zinc/27/77/87/569277787.db2.gz VAUIKRCUVDVMES-CQSZACIVSA-N 0 0 402.947 5.647 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000002081482 569277864 /nfs/dbraw/zinc/27/78/64/569277864.db2.gz ZQJOPIFBUMYDLN-VSGCLNPGSA-N 0 0 409.511 5.331 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000002081484 569277770 /nfs/dbraw/zinc/27/77/70/569277770.db2.gz ZQJOPIFBUMYDLN-JOZWUWCOSA-N 0 0 409.511 5.331 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(Br)cc1Br ZINC000002081538 557309729 /nfs/dbraw/zinc/30/97/29/557309729.db2.gz ZTYOZYCGNUQDQH-UHFFFAOYSA-N 0 0 405.174 6.291 50 30 HKEARN Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)sc2c1 ZINC000002081593 569277763 /nfs/dbraw/zinc/27/77/63/569277763.db2.gz ISOZHORCUNKSOE-UHFFFAOYSA-N 0 0 414.983 6.708 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 ZINC000002082842 569277820 /nfs/dbraw/zinc/27/78/20/569277820.db2.gz GZTHPPYCOZPAAZ-JTQLQIEISA-N 0 0 408.901 5.955 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 ZINC000002082843 569277852 /nfs/dbraw/zinc/27/78/52/569277852.db2.gz GZTHPPYCOZPAAZ-SNVBAGLBSA-N 0 0 408.901 5.955 50 30 HKEARN Cc1sc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c(C#N)c1C ZINC000002083534 569277780 /nfs/dbraw/zinc/27/77/80/569277780.db2.gz WRBCMHONHYWYBW-UHFFFAOYSA-N 0 0 417.921 6.358 50 30 HKEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002083692 569277767 /nfs/dbraw/zinc/27/77/67/569277767.db2.gz UZQZPNPAQCQYCH-LBPRGKRZSA-N 0 0 423.365 5.992 50 30 HKEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002083693 569277794 /nfs/dbraw/zinc/27/77/94/569277794.db2.gz UZQZPNPAQCQYCH-GFCCVEGCSA-N 0 0 423.365 5.992 50 30 HKEARN N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2 ZINC000002083739 569277994 /nfs/dbraw/zinc/27/79/94/569277994.db2.gz GPNHRHAOIDXUPM-UHFFFAOYSA-N 0 0 400.956 6.399 50 30 HKEARN CCc1c(C)sc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)c1C#N ZINC000002083825 569277984 /nfs/dbraw/zinc/27/79/84/569277984.db2.gz FRJIQCSLOLEVEV-UHFFFAOYSA-N 0 0 411.530 6.267 50 30 HKEARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000002084050 569277944 /nfs/dbraw/zinc/27/79/44/569277944.db2.gz AVJGWMYCJIGANR-JNMQVBFRSA-N 0 0 420.622 6.720 50 30 HKEARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002084052 569277938 /nfs/dbraw/zinc/27/79/38/569277938.db2.gz AVJGWMYCJIGANR-CECLQJIQSA-N 0 0 420.622 6.720 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3OC)sc2C1 ZINC000002084140 569277927 /nfs/dbraw/zinc/27/79/27/569277927.db2.gz PHYVZMTXNAZCQX-ZDUSSCGKSA-N 0 0 416.974 6.075 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3OC)sc2C1 ZINC000002084141 569277985 /nfs/dbraw/zinc/27/79/85/569277985.db2.gz PHYVZMTXNAZCQX-CYBMUJFWSA-N 0 0 416.974 6.075 50 30 HKEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000002086404 569277897 /nfs/dbraw/zinc/27/78/97/569277897.db2.gz IECWGWMCVRZTDI-CSKARUKUSA-N 0 0 405.350 6.237 50 30 HKEARN O=C1c2ccccc2C(=O)N1c1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000002088022 557312033 /nfs/dbraw/zinc/31/20/33/557312033.db2.gz GSPFKEWQCCIBDZ-UHFFFAOYSA-N 0 0 423.309 5.370 50 30 HKEARN O=C1c2ccccc2C(=O)N1c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000002088023 557312086 /nfs/dbraw/zinc/31/20/86/557312086.db2.gz OUBJPWUMNVYKCK-UHFFFAOYSA-N 0 0 423.309 5.370 50 30 HKEARN C=CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\c1ccc(OC)cc1 ZINC000002088074 569006940 /nfs/dbraw/zinc/00/69/40/569006940.db2.gz NKDSTJGSFIDPOP-XDOYNYLZSA-N 0 0 415.356 5.715 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000002088205 557312074 /nfs/dbraw/zinc/31/20/74/557312074.db2.gz NKPSNFHVAPXPRO-IBGZPJMESA-N 0 0 407.432 5.017 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000002088206 557311994 /nfs/dbraw/zinc/31/19/94/557311994.db2.gz NKPSNFHVAPXPRO-LJQANCHMSA-N 0 0 407.432 5.017 50 30 HKEARN N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCC2 ZINC000002088530 569277900 /nfs/dbraw/zinc/27/79/00/569277900.db2.gz KHVVDIZKLDLVKQ-UHFFFAOYSA-N 0 0 421.374 6.662 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@H]2c1ccc(F)cc1 ZINC000002090643 569280316 /nfs/dbraw/zinc/28/03/16/569280316.db2.gz XZPGAROSGKQXQY-PVXHUSLESA-N 0 0 424.487 5.738 50 30 biogenic HKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000002091872 569280229 /nfs/dbraw/zinc/28/02/29/569280229.db2.gz CWBUETUECNMKED-ZDUSSCGKSA-N 0 0 402.947 5.504 50 30 HKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000002091874 569280251 /nfs/dbraw/zinc/28/02/51/569280251.db2.gz CWBUETUECNMKED-CYBMUJFWSA-N 0 0 402.947 5.504 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 ZINC000002092797 569280331 /nfs/dbraw/zinc/28/03/31/569280331.db2.gz ZVHBZHMWRAHOJO-AWEZNQCLSA-N 0 0 411.527 5.630 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 ZINC000002092799 569280378 /nfs/dbraw/zinc/28/03/78/569280378.db2.gz ZVHBZHMWRAHOJO-CQSZACIVSA-N 0 0 411.527 5.630 50 30 HKEARN C=CCn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002092903 569006915 /nfs/dbraw/zinc/00/69/15/569006915.db2.gz NQZQLWDMZISWKY-UHFFFAOYSA-N 0 0 414.574 5.757 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000002092912 569280339 /nfs/dbraw/zinc/28/03/39/569280339.db2.gz BXSFWGLPOQRRKM-LBPRGKRZSA-N 0 0 421.393 6.720 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000002092914 569280341 /nfs/dbraw/zinc/28/03/41/569280341.db2.gz BXSFWGLPOQRRKM-GFCCVEGCSA-N 0 0 421.393 6.720 50 30 HKEARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002093091 569280333 /nfs/dbraw/zinc/28/03/33/569280333.db2.gz SQQJNLXGVSPXAE-AWEZNQCLSA-N 0 0 416.974 5.750 50 30 HKEARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002093093 569280387 /nfs/dbraw/zinc/28/03/87/569280387.db2.gz SQQJNLXGVSPXAE-CQSZACIVSA-N 0 0 416.974 5.750 50 30 HKEARN Fc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000002093317 569280631 /nfs/dbraw/zinc/28/06/31/569280631.db2.gz QQQCFULEWUNLMN-OPEKNORGSA-N 0 0 408.687 7.116 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OCCC)cc1)Nc1ccccc1-2 ZINC000002094462 569006933 /nfs/dbraw/zinc/00/69/33/569006933.db2.gz LLKXDCIJXQLPQO-FQEVSTJZSA-N 0 0 406.511 5.109 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OCCC)cc1)Nc1ccccc1-2 ZINC000002094464 569006880 /nfs/dbraw/zinc/00/68/80/569006880.db2.gz LLKXDCIJXQLPQO-HXUWFJFHSA-N 0 0 406.511 5.109 50 30 HKEARN FC(F)(F)c1cccc(-c2ccc(C=NN3C(=S)N=NC3c3ccccc3)o2)c1 ZINC000002094830 557313121 /nfs/dbraw/zinc/31/31/21/557313121.db2.gz UCZIVGZZGRZIKW-WYMPLXKRSA-N 0 0 414.412 5.395 50 30 HKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1CC ZINC000002095299 557313205 /nfs/dbraw/zinc/31/32/05/557313205.db2.gz FPVVITOOPBKBNP-DZNDYGJHSA-N 0 0 412.558 6.620 50 30 HKEARN C#CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002095441 569006927 /nfs/dbraw/zinc/00/69/27/569006927.db2.gz ZBAYHTIJQVAHOK-UHFFFAOYSA-N 0 0 404.579 5.509 50 30 biogenic HKEARN C=CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002095522 569006875 /nfs/dbraw/zinc/00/68/75/569006875.db2.gz FPQQYTVSBWOALW-UHFFFAOYSA-N 0 0 406.595 6.062 50 30 HKEARN N#CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002095582 557313462 /nfs/dbraw/zinc/31/34/62/557313462.db2.gz LOKXDSCHLDEEMX-UHFFFAOYSA-N 0 0 405.567 5.399 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c(OC)c1 ZINC000002099238 569281113 /nfs/dbraw/zinc/28/11/13/569281113.db2.gz KPHJBKZSBCMEBP-KSEXSDGBSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1 ZINC000002099245 569281136 /nfs/dbraw/zinc/28/11/36/569281136.db2.gz QWXMIUQQBUNWEP-UUYOSTAYSA-N 0 0 420.848 5.322 50 30 biogenic HKEARN S=C(N/N=C/c1cccc(Oc2ccccc2)c1)Nc1ccc(Cl)cc1Cl ZINC000002099987 557313597 /nfs/dbraw/zinc/31/35/97/557313597.db2.gz CDMVELGBNZBSHO-YDZHTSKRSA-N 0 0 416.333 6.106 50 30 HKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 ZINC000002100165 569281245 /nfs/dbraw/zinc/28/12/45/569281245.db2.gz ZEQSZDYKLRVEJK-QFEZKATASA-N 0 0 400.474 6.014 50 30 biogenic HKEARN O=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002100182 557313682 /nfs/dbraw/zinc/31/36/82/557313682.db2.gz CLTVQFHMUAFZOR-UHFFFAOYSA-N 0 0 407.329 5.158 50 30 HKEARN COc1ccccc1C=CC=C1Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O ZINC000002100244 569281381 /nfs/dbraw/zinc/28/13/81/569281381.db2.gz GXBQNTGJVRNEHB-KNXZYVGWSA-N 0 0 412.441 5.129 50 30 biogenic HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c1 ZINC000002100857 569281405 /nfs/dbraw/zinc/28/14/05/569281405.db2.gz CSANHKRWZTVPCZ-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN COc1ccc(/C=N/CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC ZINC000002101152 569281395 /nfs/dbraw/zinc/28/13/95/569281395.db2.gz CIMBWRCZKFKGHE-AUEUWSLNSA-N 0 0 403.478 5.074 50 30 biogenic HKEARN COc1ccc(/C=N/CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC ZINC000002101156 569281407 /nfs/dbraw/zinc/28/14/07/569281407.db2.gz CIMBWRCZKFKGHE-QZLJHNFXSA-N 0 0 403.478 5.074 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 ZINC000002101980 569281625 /nfs/dbraw/zinc/28/16/25/569281625.db2.gz SCJUIEXACUZBKS-KSEXSDGBSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c1 ZINC000002102469 569281541 /nfs/dbraw/zinc/28/15/41/569281541.db2.gz JINUCJMZOMYIMI-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)cc1OC ZINC000002103203 569281644 /nfs/dbraw/zinc/28/16/44/569281644.db2.gz NXEUYKZVRRLROW-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002103328 569281623 /nfs/dbraw/zinc/28/16/23/569281623.db2.gz QXVBNKXGFYPLER-KZNJOSHESA-N 0 0 415.577 5.154 50 30 biogenic HKEARN CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000002103441 569281289 /nfs/dbraw/zinc/28/12/89/569281289.db2.gz QXMSFVGIYXUYRN-LBPRGKRZSA-N 0 0 419.015 6.398 50 30 HKEARN CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000002103443 569281220 /nfs/dbraw/zinc/28/12/20/569281220.db2.gz QXMSFVGIYXUYRN-GFCCVEGCSA-N 0 0 419.015 6.398 50 30 HKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 ZINC000002104440 560558991 /nfs/dbraw/zinc/55/89/91/560558991.db2.gz UBOUAALERWOOLY-CFRMEGHHSA-N 0 0 414.457 5.654 50 30 biogenic HKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1 ZINC000002105137 569282245 /nfs/dbraw/zinc/28/22/45/569282245.db2.gz WSNKTDKGKVKUNW-UUYOSTAYSA-N 0 0 420.848 5.322 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 ZINC000002105604 569282981 /nfs/dbraw/zinc/28/29/81/569282981.db2.gz NSKKRIYDIXJGFP-GCAKBVQNSA-N 0 0 410.469 6.090 50 30 biogenic HKEARN COC(=O)c1ccc(N[C@@H](CC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000002105724 569282997 /nfs/dbraw/zinc/28/29/97/569282997.db2.gz DSDHERLPEKTIQD-HRDREGIBSA-N 0 0 415.489 5.308 50 30 biogenic HKEARN COC(=O)c1ccc(N[C@H](CC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000002105727 569282995 /nfs/dbraw/zinc/28/29/95/569282995.db2.gz DSDHERLPEKTIQD-AJQOZTQRSA-N 0 0 415.489 5.308 50 30 biogenic HKEARN CCCCOc1ccc(/C=C/C2=CC(=O)C[C@@H](c3ccc(OCCCC)cc3)C2)cc1 ZINC000002105756 569282956 /nfs/dbraw/zinc/28/29/56/569282956.db2.gz CBJVCGUDTVVKIW-NJFIGMEYSA-N 0 0 418.577 7.131 50 30 biogenic HKEARN CCCCOc1ccc(/C=C/C2=CC(=O)C[C@H](c3ccc(OCCCC)cc3)C2)cc1 ZINC000002105760 569282985 /nfs/dbraw/zinc/28/29/85/569282985.db2.gz CBJVCGUDTVVKIW-LAUDKDLHSA-N 0 0 418.577 7.131 50 30 biogenic HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c1 ZINC000002107161 569283129 /nfs/dbraw/zinc/28/31/29/569283129.db2.gz JLHHFDQMDCGZAR-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN C=C(C)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OCCC)cc1)c2=O ZINC000002107616 569283201 /nfs/dbraw/zinc/28/32/01/569283201.db2.gz XHDFXRZVVZZVTP-UHFFFAOYSA-N 0 0 408.450 5.415 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1OC ZINC000002107732 569283222 /nfs/dbraw/zinc/28/32/22/569283222.db2.gz QYFNHEXMWODMOE-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN C=CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc21 ZINC000002108115 569007042 /nfs/dbraw/zinc/00/70/42/569007042.db2.gz WRLLKBICMXIBQB-UHFFFAOYSA-N 0 0 423.354 5.878 50 30 HKEARN CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000002108964 569281411 /nfs/dbraw/zinc/28/14/11/569281411.db2.gz LUYHPVBZNDXHGD-UHFFFAOYSA-N 0 0 422.000 5.001 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000002110192 291282328 /nfs/dbraw/zinc/28/23/28/291282328.db2.gz MNGYOFNIAOWXIT-DNRBGDKYSA-N 0 0 424.537 5.512 50 30 biogenic,in-vitro HKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 ZINC000002110624 569283858 /nfs/dbraw/zinc/28/38/58/569283858.db2.gz PMNYPDRXCXMPLE-CQSZACIVSA-N 0 0 419.506 6.269 50 30 HKEARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 ZINC000002110626 569283914 /nfs/dbraw/zinc/28/39/14/569283914.db2.gz PMNYPDRXCXMPLE-AWEZNQCLSA-N 0 0 419.506 6.269 50 30 HKEARN CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)cs1 ZINC000002111422 569283871 /nfs/dbraw/zinc/28/38/71/569283871.db2.gz GTTRQEIPNJSWGT-UHFFFAOYSA-N 0 0 414.640 7.105 50 30 HKEARN CCn1cc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)n1 ZINC000002113090 569283971 /nfs/dbraw/zinc/28/39/71/569283971.db2.gz NFDGZRQDTVPKBH-UHFFFAOYSA-N 0 0 418.994 5.961 50 30 HKEARN O=C1SC(SCc2ccccc2Cl)=N/C1=C/c1cccc(Br)c1 ZINC000002114222 568844552 /nfs/dbraw/zinc/84/45/52/568844552.db2.gz CITAPFRMLAKOFT-OQLLNIDSSA-N 0 0 424.772 6.006 50 30 HKEARN N#CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002115824 557315502 /nfs/dbraw/zinc/31/55/02/557315502.db2.gz HLXRYSAESDMHOF-UHFFFAOYSA-N 0 0 413.546 5.273 50 30 biogenic HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3 ZINC000002115864 569006952 /nfs/dbraw/zinc/00/69/52/569006952.db2.gz CFUOQUQTCKPALF-JOCHJYFZSA-N 0 0 412.580 5.275 50 30 HKEARN N#CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002117647 557315690 /nfs/dbraw/zinc/31/56/90/557315690.db2.gz WIHPTGMTQBVUBZ-UHFFFAOYSA-N 0 0 419.594 5.474 50 30 HKEARN C#CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002117661 569006983 /nfs/dbraw/zinc/00/69/83/569006983.db2.gz JROPQUYGYHRNRI-UHFFFAOYSA-N 0 0 412.558 5.383 50 30 biogenic HKEARN C=CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002117763 569006947 /nfs/dbraw/zinc/00/69/47/569006947.db2.gz UCNWVUPGNDJUCS-UHFFFAOYSA-N 0 0 419.575 6.036 50 30 HKEARN CCCCCCCSc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1 ZINC000002117902 557315707 /nfs/dbraw/zinc/31/57/07/557315707.db2.gz CSHUIVWHJKLAKL-UHFFFAOYSA-N 0 0 423.582 6.285 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1cccc(C(F)(F)F)c1 ZINC000002118099 569283872 /nfs/dbraw/zinc/28/38/72/569283872.db2.gz VPCQOYXXNQWUKW-UHFFFAOYSA-N 0 0 405.376 5.334 50 30 HKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 ZINC000002119103 569283930 /nfs/dbraw/zinc/28/39/30/569283930.db2.gz CADCIOUMQPBKHQ-UHFFFAOYSA-N 0 0 418.949 6.127 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)N(C(=O)CC)c1ccccc1-2 ZINC000002122465 569007019 /nfs/dbraw/zinc/00/70/19/569007019.db2.gz WOBUHFKOMOJJBN-FQEVSTJZSA-N 0 0 424.551 5.021 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)N(C(=O)CC)c1ccccc1-2 ZINC000002122467 569006967 /nfs/dbraw/zinc/00/69/67/569006967.db2.gz WOBUHFKOMOJJBN-HXUWFJFHSA-N 0 0 424.551 5.021 50 30 HKEARN O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 ZINC000002124297 569285791 /nfs/dbraw/zinc/28/57/91/569285791.db2.gz KJRKWYATUZJVOU-OBTVHEKISA-N 0 0 408.501 5.196 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 ZINC000002124299 569285892 /nfs/dbraw/zinc/28/58/92/569285892.db2.gz KJRKWYATUZJVOU-WCYRKSIYSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 ZINC000002124301 569285781 /nfs/dbraw/zinc/28/57/81/569285781.db2.gz KJRKWYATUZJVOU-NOTUOJBMSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 ZINC000002124303 569285776 /nfs/dbraw/zinc/28/57/76/569285776.db2.gz KJRKWYATUZJVOU-KHVXQDHOSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O ZINC000002130058 569286462 /nfs/dbraw/zinc/28/64/62/569286462.db2.gz IJGRCEMTUSSQDP-HKMXWPIPSA-N 0 0 416.454 5.291 50 30 biogenic HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O ZINC000002130061 569286472 /nfs/dbraw/zinc/28/64/72/569286472.db2.gz IJGRCEMTUSSQDP-LQFJMUIISA-N 0 0 416.454 5.291 50 30 biogenic HKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 ZINC000002130845 569287067 /nfs/dbraw/zinc/28/70/67/569287067.db2.gz PPVKHXSUEJNWCT-QFEZKATASA-N 0 0 400.474 6.014 50 30 biogenic HKEARN Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)s4)cc3)cc2)s1 ZINC000002132987 557316991 /nfs/dbraw/zinc/31/69/91/557316991.db2.gz BQCYJCQRCZMLGJ-RYQLWAFASA-N 0 0 400.572 7.595 50 30 HKEARN Cc1ccsc1/C=N/c1ccc(-c2ccc(/N=C/c3sccc3C)cc2)cc1 ZINC000002132998 557317018 /nfs/dbraw/zinc/31/70/18/557317018.db2.gz QVOOGTXOFMPPNT-RYQLWAFASA-N 0 0 400.572 7.595 50 30 HKEARN Cc1cccc(NC(=S)N/N=C(/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000002133099 557316961 /nfs/dbraw/zinc/31/69/61/557316961.db2.gz FNANEVLRXKKDST-QWCMDBGDSA-N 0 0 416.506 5.307 50 30 HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 ZINC000002133498 569287335 /nfs/dbraw/zinc/28/73/35/569287335.db2.gz UYDXGQPUMFKCOG-BCYKDHKFSA-N 0 0 422.480 6.232 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 ZINC000002133501 569287362 /nfs/dbraw/zinc/28/73/62/569287362.db2.gz UYDXGQPUMFKCOG-AKDVYYJXSA-N 0 0 422.480 6.232 50 30 biogenic HKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] ZINC000002133849 557316995 /nfs/dbraw/zinc/31/69/95/557316995.db2.gz YULOKAZQDZFPHN-RNIAWFEPSA-N 0 0 402.410 5.621 50 30 HKEARN C=C(C)COc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000002134380 568844901 /nfs/dbraw/zinc/84/49/01/568844901.db2.gz KSQNCESVEGNJHE-UHFFFAOYSA-N 0 0 401.256 5.611 50 30 HKEARN CC1(C)Cc2c(C#N)sc(SCCOC(=O)c3ccccc3Cl)c2C(=O)C1 ZINC000002142185 569288951 /nfs/dbraw/zinc/28/89/51/569288951.db2.gz QDZYCSADDWYIOA-UHFFFAOYSA-N 0 0 419.955 5.377 50 30 HKEARN CCc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2CC)=C(Cl)C1=O ZINC000002143472 559274868 /nfs/dbraw/zinc/27/48/68/559274868.db2.gz HYKVVHNIKUYNNR-UHFFFAOYSA-N 0 0 415.320 5.388 50 30 HKEARN Cc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(C)c(C)c3)=C(Cl)C2=O)cc1C ZINC000002143474 569012680 /nfs/dbraw/zinc/01/26/80/569012680.db2.gz QEEACTOYMWAXDG-UHFFFAOYSA-N 0 0 415.320 5.497 50 30 HKEARN CCc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(CC)cc3)=C(Cl)C2=O)cc1 ZINC000002143482 569012662 /nfs/dbraw/zinc/01/26/62/569012662.db2.gz GJXUNHJGLVWDHU-UHFFFAOYSA-N 0 0 415.320 5.388 50 30 HKEARN Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 ZINC000002143593 569009527 /nfs/dbraw/zinc/00/95/27/569009527.db2.gz IJCNUYVKXSZHSF-UOSOPFLXSA-N 0 0 406.485 6.190 50 30 HKEARN C#CCSc1nnc(SCC(=O)c2sc3ccc(Cl)cc3c2C)s1 ZINC000002150428 569007047 /nfs/dbraw/zinc/00/70/47/569007047.db2.gz BLJTYKVZBNSZGF-UHFFFAOYSA-N 0 0 410.998 5.415 50 30 HKEARN C=C1C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000002150827 569290034 /nfs/dbraw/zinc/29/00/34/569290034.db2.gz QXZCBRHBEXEZSO-MJGOQNOKSA-N 0 0 400.431 5.131 50 30 biogenic HKEARN C=C1C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000002150828 569290001 /nfs/dbraw/zinc/29/00/01/569290001.db2.gz QXZCBRHBEXEZSO-HKUYNNGSSA-N 0 0 400.431 5.131 50 30 biogenic HKEARN C=C1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000002150831 569290051 /nfs/dbraw/zinc/29/00/51/569290051.db2.gz QXZCBRHBEXEZSO-IEBWSBKVSA-N 0 0 400.431 5.131 50 30 biogenic HKEARN C=C1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000002150832 569290045 /nfs/dbraw/zinc/29/00/45/569290045.db2.gz QXZCBRHBEXEZSO-PKOBYXMFSA-N 0 0 400.431 5.131 50 30 biogenic HKEARN N#Cc1cc2c(nc1SCC(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCCC2 ZINC000002151009 569290041 /nfs/dbraw/zinc/29/00/41/569290041.db2.gz CRUCNFUJQMQLLT-UHFFFAOYSA-N 0 0 410.542 5.768 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)Nc3cc(Cl)c(Cl)cc3N1O)CCCCCC2 ZINC000002151017 132248941 /nfs/dbraw/zinc/24/89/41/132248941.db2.gz KMFHVIJWPNBNJI-UHFFFAOYSA-N 0 0 423.325 5.748 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000002151115 291282311 /nfs/dbraw/zinc/28/23/11/291282311.db2.gz MNGYOFNIAOWXIT-IOUIBGKWSA-N 0 0 424.537 5.512 50 30 biogenic,in-vitro HKEARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000002151844 557319584 /nfs/dbraw/zinc/31/95/84/557319584.db2.gz CYOPGUKIHNIHBB-UHFFFAOYSA-N 0 0 421.721 5.318 50 30 HKEARN N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCCCC2 ZINC000002152657 569290131 /nfs/dbraw/zinc/29/01/31/569290131.db2.gz HUPOIMVTFYAYOH-UHFFFAOYSA-N 0 0 413.546 5.679 50 30 HKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000002152842 569290121 /nfs/dbraw/zinc/29/01/21/569290121.db2.gz COFSOQAFIGFJIS-CIHKDBSTSA-N 0 0 424.452 5.486 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1OC ZINC000002152928 569290159 /nfs/dbraw/zinc/29/01/59/569290159.db2.gz OWRNYEXSJJPORV-FMCGGJTJSA-N 0 0 422.864 5.552 50 30 biogenic HKEARN CCCc1c(C(=O)O/N=C/c2c(F)cccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000002153103 557319957 /nfs/dbraw/zinc/31/99/57/557319957.db2.gz NCHKVPWMHIGDFG-BRJLIKDPSA-N 0 0 420.271 5.462 50 30 HKEARN CC1(C)CCc2cc(C=NOC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2O1 ZINC000002153765 557319938 /nfs/dbraw/zinc/31/99/38/557319938.db2.gz YRBAGVOPVLSJQW-WYMPLXKRSA-N 0 0 408.376 5.271 50 30 HKEARN CSc1nc(-c2ccccc2)nc(Sc2ccc(Cl)cc2Cl)c1C#N ZINC000002154333 569289917 /nfs/dbraw/zinc/28/99/17/569289917.db2.gz VGJORISJKQIOLS-UHFFFAOYSA-N 0 0 404.347 6.195 50 30 HKEARN Cc1c(C=Nc2ccc(OC(=O)Nc3cccc(Cl)c3)cc2)sc2ccccc12 ZINC000002154547 557320151 /nfs/dbraw/zinc/32/01/51/557320151.db2.gz VXQCOHWEWBLMOH-AFUMVMLFSA-N 0 0 420.921 7.225 50 30 HKEARN CC(C)(C)c1csc(-c2ccc(C=NOC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000002154602 557320194 /nfs/dbraw/zinc/32/01/94/557320194.db2.gz AOKXVYZZNUXPEH-FSJBWODESA-N 0 0 413.930 6.344 50 30 HKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 ZINC000002155753 569290264 /nfs/dbraw/zinc/29/02/64/569290264.db2.gz OUKLOJJJVJVEJQ-OYKKKHCWSA-N 0 0 414.457 5.654 50 30 biogenic HKEARN O=C1c2ccccc2S/C1=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000002155907 557320183 /nfs/dbraw/zinc/32/01/83/557320183.db2.gz UVNUJQAWBGMKJA-FMCGGJTJSA-N 0 0 419.908 6.812 50 30 HKEARN CCCCCn1c2ccccc2nc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000002157140 557320204 /nfs/dbraw/zinc/32/02/04/557320204.db2.gz YHBWHZUJURZQSX-WGOQTCKBSA-N 0 0 401.510 6.308 50 30 HKEARN CCCCCCn1c2ccccc2nc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000002157146 557320075 /nfs/dbraw/zinc/32/00/75/557320075.db2.gz RTRFYPABSIIFKF-WPWMEQJKSA-N 0 0 415.537 6.698 50 30 HKEARN CSc1sc(C(=O)Nc2ccc(F)cc2F)c(-c2ccc(Cl)cc2)c1C#N ZINC000002158192 569290069 /nfs/dbraw/zinc/29/00/69/569290069.db2.gz FIGPZYUWUFJBNP-UHFFFAOYSA-N 0 0 420.893 6.193 50 30 HKEARN COc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1CCCC2=O ZINC000002158220 557320515 /nfs/dbraw/zinc/32/05/15/557320515.db2.gz PTFSCCPAYBCLCH-HSZRJFAPSA-N 0 0 424.327 6.829 50 30 HKEARN COc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1CCCC2=O ZINC000002158223 557320496 /nfs/dbraw/zinc/32/04/96/557320496.db2.gz PTFSCCPAYBCLCH-QHCPKHFHSA-N 0 0 424.327 6.829 50 30 HKEARN CN(C)c1c(F)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F ZINC000002158438 557320513 /nfs/dbraw/zinc/32/05/13/557320513.db2.gz QQEQDFUXOAFXPX-UHFFFAOYSA-N 0 0 412.280 5.321 50 30 HKEARN CCCc1c(C(=O)O/N=C/c2ccc(Cl)cc2Cl)cnn1-c1ccccc1 ZINC000002158490 557320538 /nfs/dbraw/zinc/32/05/38/557320538.db2.gz SRXHVBPQNIYROU-WYMPLXKRSA-N 0 0 402.281 5.323 50 30 HKEARN Cc1cccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1C ZINC000002158808 569290037 /nfs/dbraw/zinc/29/00/37/569290037.db2.gz RQOCBLMMVJBBMG-UHFFFAOYSA-N 0 0 422.484 6.120 50 30 HKEARN CSc1sc(C(=O)C(C#N)=NNc2cccc(C(F)(F)F)c2)c2c1C=CCC2 ZINC000002158817 557320531 /nfs/dbraw/zinc/32/05/31/557320531.db2.gz NWQPPKRQXXFOMN-MFKUBSTISA-N 0 0 421.469 5.623 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000002161816 568845804 /nfs/dbraw/zinc/84/58/04/568845804.db2.gz FAFUPNYEVOXTSV-WOJGMQOQSA-N 0 0 403.862 5.280 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000002161818 557320661 /nfs/dbraw/zinc/32/06/61/557320661.db2.gz FAFUPNYEVOXTSV-WQRHYEAKSA-N 0 0 403.862 5.280 50 30 HKEARN Clc1cc(Cl)cc(/N=C/c2ccc(/C=N/c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000002161832 557320759 /nfs/dbraw/zinc/32/07/59/557320759.db2.gz CSRQGGNCYQXPCA-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN Clc1ccc(Cl)c(/N=C/c2ccc(/C=N/c3cc(Cl)ccc3Cl)cc2)c1 ZINC000002161942 569012651 /nfs/dbraw/zinc/01/26/51/569012651.db2.gz AGWPBTXFYFXKGC-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN Ic1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002162178 557320783 /nfs/dbraw/zinc/32/07/83/557320783.db2.gz UTXXGKMGKBMYBU-HYARGMPZSA-N 0 0 413.258 5.621 50 30 HKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000002162776 557321050 /nfs/dbraw/zinc/32/10/50/557321050.db2.gz POVDCLYLIXFRRK-UHFFFAOYSA-N 0 0 409.404 6.346 50 30 HKEARN O=C(ON=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002163171 557320901 /nfs/dbraw/zinc/32/09/01/557320901.db2.gz YBTUAKYVYROJDV-UHFFFAOYSA-N 0 0 406.215 5.881 50 30 HKEARN C(=N/N=C/c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 ZINC000002164201 569288254 /nfs/dbraw/zinc/28/82/54/569288254.db2.gz LOCPRVUHECBZFB-CZYCKNNWSA-N 0 0 420.512 6.298 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002164585 568845861 /nfs/dbraw/zinc/84/58/61/568845861.db2.gz JFFWSHVNJSYUQH-GZTJUZNOSA-N 0 0 406.290 5.799 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002164587 569006964 /nfs/dbraw/zinc/00/69/64/569006964.db2.gz JFFWSHVNJSYUQH-BOPFTXTBSA-N 0 0 406.290 5.799 50 30 HKEARN C#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002164596 569292074 /nfs/dbraw/zinc/29/20/74/569292074.db2.gz PWDVHFLCUZXSIA-GZTJUZNOSA-N 0 0 404.274 5.246 50 30 HKEARN C#CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002164597 569006993 /nfs/dbraw/zinc/00/69/93/569006993.db2.gz PWDVHFLCUZXSIA-BOPFTXTBSA-N 0 0 404.274 5.246 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000002164789 569292037 /nfs/dbraw/zinc/29/20/37/569292037.db2.gz MHWFIKQIVWQIAS-LICLKQGHSA-N 0 0 406.290 5.799 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000002164791 569006969 /nfs/dbraw/zinc/00/69/69/569006969.db2.gz MHWFIKQIVWQIAS-YVLHZVERSA-N 0 0 406.290 5.799 50 30 HKEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002164972 557320933 /nfs/dbraw/zinc/32/09/33/557320933.db2.gz AFVBQIQARKSMIR-RNIAWFEPSA-N 0 0 402.410 5.621 50 30 HKEARN COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000002165263 569012644 /nfs/dbraw/zinc/01/26/44/569012644.db2.gz AOJIIZRJWDDLJX-RYQLWAFASA-N 0 0 404.466 5.222 50 30 HKEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000002166260 569291987 /nfs/dbraw/zinc/29/19/87/569291987.db2.gz LCPRNKWJONPMOJ-KQQUZDAGSA-N 0 0 422.400 5.587 50 30 HKEARN Cc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C)cc4)cc3)cc2)cc1 ZINC000002167473 569012655 /nfs/dbraw/zinc/01/26/55/569012655.db2.gz AKKIYGXASMSOGN-OQIGUVFWSA-N 0 0 402.541 7.395 50 30 HKEARN Fc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1 ZINC000002167756 557321338 /nfs/dbraw/zinc/32/13/38/557321338.db2.gz IWJIMNVJGAIOQS-GFTXTJKWSA-N 0 0 410.467 7.057 50 30 HKEARN C(=N/N=C/c1ccccc1OCc1ccccc1)\c1ccccc1OCc1ccccc1 ZINC000002168958 557321323 /nfs/dbraw/zinc/32/13/23/557321323.db2.gz VFWWLQPTOXHELN-CZYCKNNWSA-N 0 0 420.512 6.298 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000002170152 569006978 /nfs/dbraw/zinc/00/69/78/569006978.db2.gz XQGUOITYCJXRHP-WOJGMQOQSA-N 0 0 403.862 5.280 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000002170153 569293116 /nfs/dbraw/zinc/29/31/16/569293116.db2.gz XQGUOITYCJXRHP-WQRHYEAKSA-N 0 0 403.862 5.280 50 30 HKEARN O=C1c2ccccc2-c2ccccc2C(=O)C1=C1SC2=C(S1)SCCS2 ZINC000002172805 557321863 /nfs/dbraw/zinc/32/18/63/557321863.db2.gz HFPILDDLQYGEPN-UHFFFAOYSA-N 0 0 412.582 6.031 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000002173305 557321891 /nfs/dbraw/zinc/32/18/91/557321891.db2.gz VFCFGAJVMSPPKU-ATVHPVEESA-N 0 0 412.923 5.976 50 30 HKEARN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)o1 ZINC000002173837 557321923 /nfs/dbraw/zinc/32/19/23/557321923.db2.gz PYNSPEPKYVVTJL-GDNBJRDFSA-N 0 0 410.326 5.324 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1Cl ZINC000002175049 557321897 /nfs/dbraw/zinc/32/18/97/557321897.db2.gz OZROZBHDTSYFCZ-XMFNYGHISA-N 0 0 414.914 5.147 50 30 HKEARN CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N ZINC000002176785 569293477 /nfs/dbraw/zinc/29/34/77/569293477.db2.gz SBKYIEOXAZMLJG-UHFFFAOYSA-N 0 0 419.525 5.433 50 30 HKEARN CCCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC ZINC000002177391 557322169 /nfs/dbraw/zinc/32/21/69/557322169.db2.gz AFXDWCDHWMSSBD-RAFWRMIMSA-N 0 0 424.566 5.670 50 30 HKEARN CC[C@@H](C)CN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000002177567 557322137 /nfs/dbraw/zinc/32/21/37/557322137.db2.gz ZKXIBAPBUKLSKR-SAFFEFKRSA-N 0 0 409.511 5.553 50 30 HKEARN C=CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002179080 569006976 /nfs/dbraw/zinc/00/69/76/569006976.db2.gz ZBLJXOGCOOPBSP-UHFFFAOYSA-N 0 0 406.595 5.747 50 30 biogenic HKEARN CSC(=Nc1ccc(Oc2ccc(N=C(SC)SC)cc2)cc1)SC ZINC000002179606 557322676 /nfs/dbraw/zinc/32/26/76/557322676.db2.gz IFNWSLSQMYJNRB-UHFFFAOYSA-N 0 0 408.639 6.906 50 30 HKEARN CSC(=Nc1ccc(Cc2ccc(N=C(SC)SC)cc2)cc1)SC ZINC000002179608 557322711 /nfs/dbraw/zinc/32/27/11/557322711.db2.gz IZAQWKUHAFGNPG-UHFFFAOYSA-N 0 0 406.667 6.704 50 30 HKEARN O=C(C1=C(c2ccccc2)S/C(=C\C(=S)c2ccccc2)S1)c1ccccc1 ZINC000002179631 557322682 /nfs/dbraw/zinc/32/26/82/557322682.db2.gz OYZZILZSKFMTOX-LTGZKZEYSA-N 0 0 416.592 6.978 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1)CCCC3 ZINC000002180576 569007053 /nfs/dbraw/zinc/00/70/53/569007053.db2.gz ZZBLITXNMWDFKE-UHFFFAOYSA-N 0 0 402.972 5.469 50 30 HKEARN Cc1cc(-c2ccccc2)nc(OCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000002180832 569293415 /nfs/dbraw/zinc/29/34/15/569293415.db2.gz MXLMQMCATZHJQZ-UHFFFAOYSA-N 0 0 404.469 5.857 50 30 HKEARN N#Cc1c(OCc2ccc(F)cc2)nc2c(c1-c1ccc(F)cc1)CCc1ccccc1-2 ZINC000002180951 569293443 /nfs/dbraw/zinc/29/34/43/569293443.db2.gz XMRXORWTIVBCLD-UHFFFAOYSA-N 0 0 424.450 6.243 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc(-c2ccccc2)sc1N ZINC000002181033 569006977 /nfs/dbraw/zinc/00/69/77/569006977.db2.gz JMZUNRREZDULHS-UHFFFAOYSA-N 0 0 422.554 5.873 50 30 HKEARN C=CCSc1nnc(-c2cc(-c3ccccc3)sc2N)n1Cc1ccccc1 ZINC000002181093 569006962 /nfs/dbraw/zinc/00/69/62/569006962.db2.gz SNUGRYPFPIZXLB-UHFFFAOYSA-N 0 0 404.564 5.582 50 30 HKEARN Cc1cc(C)c(/C=N/c2cccc3c(/N=C/c4c(C)cc(C)cc4C)cccc23)c(C)c1 ZINC000002181530 557322941 /nfs/dbraw/zinc/32/29/41/557322941.db2.gz MPVAVCKHCGMTBV-LTTYKRRRSA-N 0 0 418.584 8.192 50 30 HKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc(Br)s1 ZINC000002181542 557322926 /nfs/dbraw/zinc/32/29/26/557322926.db2.gz JWENCNROHHRHKI-SRZZPIQSSA-N 0 0 404.716 6.146 50 30 HKEARN Cc1cc(-c2ccc(/N=C/c3cccc(O)c3)c(C)c2)ccc1/N=C/c1cccc(O)c1 ZINC000002181547 557322904 /nfs/dbraw/zinc/32/29/04/557322904.db2.gz XZSNDZJWOSCDED-YAGSLNJISA-N 0 0 420.512 6.883 50 30 HKEARN O=C1c2ccccc2C/C1=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002182239 569293561 /nfs/dbraw/zinc/29/35/61/569293561.db2.gz AJCRCOONDLYRKW-DHDCSXOGSA-N 0 0 415.798 6.369 50 30 HKEARN C=CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002182368 569007027 /nfs/dbraw/zinc/00/70/27/569007027.db2.gz FHAKWBCAKKOAIV-ZDUSSCGKSA-N 0 0 402.585 5.129 50 30 HKEARN C=CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002182369 569006963 /nfs/dbraw/zinc/00/69/63/569006963.db2.gz FHAKWBCAKKOAIV-CYBMUJFWSA-N 0 0 402.585 5.129 50 30 HKEARN FC(F)(F)c1ccccc1/N=C/c1cccc(/C=N/c2ccccc2C(F)(F)F)c1 ZINC000002182782 557323184 /nfs/dbraw/zinc/32/31/84/557323184.db2.gz HHKLRANLRWGSNY-HZUVFDMRSA-N 0 0 420.356 7.225 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 ZINC000002183010 557323192 /nfs/dbraw/zinc/32/31/92/557323192.db2.gz MQEMXKDVUINDMD-UHFFFAOYSA-N 0 0 404.645 6.514 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCC3 ZINC000002183017 569006960 /nfs/dbraw/zinc/00/69/60/569006960.db2.gz IEEAWIMHXUFSDZ-UHFFFAOYSA-N 0 0 423.390 5.732 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002183047 557323210 /nfs/dbraw/zinc/32/32/10/557323210.db2.gz SYEZQWMYTYBCLE-UHFFFAOYSA-N 0 0 412.624 6.389 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002183209 569007048 /nfs/dbraw/zinc/00/70/48/569007048.db2.gz AOMVEUTYLSRYMZ-HNNXBMFYSA-N 0 0 410.608 5.876 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002183210 569006997 /nfs/dbraw/zinc/00/69/97/569006997.db2.gz AOMVEUTYLSRYMZ-OAHLLOKOSA-N 0 0 410.608 5.876 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C(CC)(CC)Cc1ccccc1-2 ZINC000002183417 569007028 /nfs/dbraw/zinc/00/70/28/569007028.db2.gz ZONFCYGVXMEYNC-UHFFFAOYSA-N 0 0 416.590 5.851 50 30 HKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000002183593 557323550 /nfs/dbraw/zinc/32/35/50/557323550.db2.gz XVXAZRKWTWDOHV-RELWKKBWSA-N 0 0 423.628 6.675 50 30 HKEARN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O ZINC000002183785 569293624 /nfs/dbraw/zinc/29/36/24/569293624.db2.gz PTWOVDQDWXRLHU-HAHDFKILSA-N 0 0 416.546 6.137 50 30 HKEARN CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000002185009 557324038 /nfs/dbraw/zinc/32/40/38/557324038.db2.gz QSAXWXIANQUWCD-UINIZAEWSA-N 0 0 412.558 6.614 50 30 HKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C(C)=O)cc1 ZINC000002186184 557324179 /nfs/dbraw/zinc/32/41/79/557324179.db2.gz CPHOUSNDEFIQKX-BEIQUOEZSA-N 0 0 421.547 5.049 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Br)c4O)c3)nc2c1 ZINC000002186443 557324317 /nfs/dbraw/zinc/32/43/17/557324317.db2.gz JPXQCHYPTRBXMZ-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Br)c4O)cc3)nc2c1 ZINC000002186452 557324156 /nfs/dbraw/zinc/32/41/56/557324156.db2.gz NCLSVOXSOWKJIS-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN C(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000002186468 569293612 /nfs/dbraw/zinc/29/36/12/569293612.db2.gz MGBGHOVQTPJKHD-JOUPJCCWSA-N 0 0 407.481 5.470 50 30 HKEARN N#Cc1c2c(sc1/N=C/c1cc(Br)ccc1Br)CCCC2 ZINC000002186712 557324261 /nfs/dbraw/zinc/32/42/61/557324261.db2.gz HBAIVXRTTNQKFO-AWQFTUOYSA-N 0 0 424.161 5.774 50 30 HKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)CCCC2 ZINC000002186748 557324274 /nfs/dbraw/zinc/32/42/74/557324274.db2.gz GQRAOXUAJGOMLH-FOKLQQMPSA-N 0 0 411.870 6.071 50 30 HKEARN CCCCCOc1ccc(/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 ZINC000002186860 557324214 /nfs/dbraw/zinc/32/42/14/557324214.db2.gz UGYBNKUPRKNTFC-LFVJCYFKSA-N 0 0 405.523 6.627 50 30 HKEARN CCN(CC)c1ccc(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 ZINC000002186863 569293576 /nfs/dbraw/zinc/29/35/76/569293576.db2.gz CMQODSSKVLZKFE-HZHRSRAPSA-N 0 0 407.564 6.637 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)s4)cc3)sc2c1 ZINC000002186999 557324605 /nfs/dbraw/zinc/32/46/05/557324605.db2.gz NCTIJTVKXYFICD-SRZZPIQSSA-N 0 0 413.365 6.846 50 30 HKEARN Cc1cccc(C)c1OP(=O)(N=NCc1ccncc1)Oc1c(C)cccc1C ZINC000002187560 557324533 /nfs/dbraw/zinc/32/45/33/557324533.db2.gz HHOHJHGXWVQEHJ-BUVRLJJBSA-N 0 0 409.426 5.505 50 30 HKEARN Cc1c(C)c(CON=C(c2ccccc2)c2ccccc2)c(C)c(C)c1Br ZINC000002187567 557324579 /nfs/dbraw/zinc/32/45/79/557324579.db2.gz AXZMGYIQAQRAPH-UHFFFAOYSA-N 0 0 422.366 6.652 50 30 HKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002187596 557324490 /nfs/dbraw/zinc/32/44/90/557324490.db2.gz UCWROWYMKCOKGU-UHFFFAOYSA-N 0 0 406.522 5.652 50 30 HKEARN C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002187627 569007005 /nfs/dbraw/zinc/00/70/05/569007005.db2.gz VJUYLSQXXGCKRU-UHFFFAOYSA-N 0 0 405.501 5.778 50 30 HKEARN Cc1cccc(C)c1OP(=O)(N=NCc1ccccc1)Oc1c(C)cccc1C ZINC000002187819 557324600 /nfs/dbraw/zinc/32/46/00/557324600.db2.gz BNZWRHBNIKVPKC-LFVJCYFKSA-N 0 0 408.438 6.110 50 30 HKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000002188178 557324493 /nfs/dbraw/zinc/32/44/93/557324493.db2.gz AYOZLLGXNVACTQ-MHZLTWQESA-N 0 0 411.545 6.937 50 30 HKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000002188179 557324512 /nfs/dbraw/zinc/32/45/12/557324512.db2.gz AYOZLLGXNVACTQ-HHHXNRCGSA-N 0 0 411.545 6.937 50 30 HKEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000002188208 569293685 /nfs/dbraw/zinc/29/36/85/569293685.db2.gz MFPMDDPHTPLZAA-WYMPLXKRSA-N 0 0 405.479 6.034 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)C(C)(C)C)c2C#N)cc1 ZINC000002188348 569293448 /nfs/dbraw/zinc/29/34/48/569293448.db2.gz HRAMMFCEAXKHML-UHFFFAOYSA-N 0 0 416.546 6.003 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002188645 557324819 /nfs/dbraw/zinc/32/48/19/557324819.db2.gz VBOWYPGDWWUMJP-IBGZPJMESA-N 0 0 408.325 5.305 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002188646 557324837 /nfs/dbraw/zinc/32/48/37/557324837.db2.gz VBOWYPGDWWUMJP-LJQANCHMSA-N 0 0 408.325 5.305 50 30 HKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000002189474 557324825 /nfs/dbraw/zinc/32/48/25/557324825.db2.gz RJDHQSAWGFQPLZ-HMAPJEAMSA-N 0 0 401.535 5.603 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)cc1Cl ZINC000002190260 569293665 /nfs/dbraw/zinc/29/36/65/569293665.db2.gz XBKUPWOULNVMLH-XMMPIXPASA-N 0 0 422.355 7.456 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)cc1Cl ZINC000002190261 569293747 /nfs/dbraw/zinc/29/37/47/569293747.db2.gz XBKUPWOULNVMLH-DEOSSOPVSA-N 0 0 422.355 7.456 50 30 HKEARN N#Cc1c(SCc2ccccc2Cl)nsc1SCc1ccccc1Cl ZINC000002190303 569293631 /nfs/dbraw/zinc/29/36/31/569293631.db2.gz REODECXRFOYDFP-UHFFFAOYSA-N 0 0 423.415 6.906 50 30 HKEARN N#Cc1c(SCc2ccc(Cl)cc2)nsc1SCc1ccc(Cl)cc1 ZINC000002190304 569293745 /nfs/dbraw/zinc/29/37/45/569293745.db2.gz LAHIWXAUKRTKCL-UHFFFAOYSA-N 0 0 423.415 6.906 50 30 HKEARN COc1ccc(CSc2nsc(SCc3cccc(OC)c3)c2C#N)cc1 ZINC000002190319 569293744 /nfs/dbraw/zinc/29/37/44/569293744.db2.gz AKDMCEDCRVFZHO-UHFFFAOYSA-N 0 0 414.577 5.617 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002190443 557325128 /nfs/dbraw/zinc/32/51/28/557325128.db2.gz OUTCKCXNICFCNE-DEOSSOPVSA-N 0 0 417.505 5.400 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002190444 557325145 /nfs/dbraw/zinc/32/51/45/557325145.db2.gz OUTCKCXNICFCNE-XMMPIXPASA-N 0 0 417.505 5.400 50 30 HKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCCCC2 ZINC000002190707 569293723 /nfs/dbraw/zinc/29/37/23/569293723.db2.gz AIFOWXOCGXSATK-UHFFFAOYSA-N 0 0 403.960 5.059 50 30 HKEARN Cc1ccc(Sc2nc(Cl)c(C#N)c(Sc3ccc(C)cc3)c2Cl)cc1 ZINC000002191503 569293794 /nfs/dbraw/zinc/29/37/94/569293794.db2.gz UJDXPJSZHKORCL-UHFFFAOYSA-N 0 0 417.386 7.179 50 30 HKEARN C=CCSC1=N[C@@H](c2ccccc2Cl)C=C(c2ccc(Br)cc2)N1 ZINC000002192736 569293886 /nfs/dbraw/zinc/29/38/86/569293886.db2.gz DYCJYXQYMAPWSQ-GOSISDBHSA-N 0 0 419.775 6.063 50 30 HKEARN C=CCSC1=N[C@H](c2ccccc2Cl)C=C(c2ccc(Br)cc2)N1 ZINC000002192737 569293922 /nfs/dbraw/zinc/29/39/22/569293922.db2.gz DYCJYXQYMAPWSQ-SFHVURJKSA-N 0 0 419.775 6.063 50 30 HKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000002192879 557325425 /nfs/dbraw/zinc/32/54/25/557325425.db2.gz YGDLLUVDIIDTRL-PXLXIMEGSA-N 0 0 413.473 5.317 50 30 HKEARN CCCCCCCCOC(=O)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000002193177 557325459 /nfs/dbraw/zinc/32/54/59/557325459.db2.gz RUWVRMDFGDKZFZ-FQEVSTJZSA-N 0 0 418.002 7.175 50 30 HKEARN CCCCCCCCOC(=O)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000002193178 557325379 /nfs/dbraw/zinc/32/53/79/557325379.db2.gz RUWVRMDFGDKZFZ-HXUWFJFHSA-N 0 0 418.002 7.175 50 30 HKEARN O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1cccs1 ZINC000002194876 569294582 /nfs/dbraw/zinc/29/45/82/569294582.db2.gz RZAGGYXGZSKSJM-FOHRATBMSA-N 0 0 420.533 7.123 50 30 HKEARN O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1cccs1 ZINC000002194880 569294565 /nfs/dbraw/zinc/29/45/65/569294565.db2.gz RZAGGYXGZSKSJM-YJUNHESCSA-N 0 0 420.533 7.123 50 30 HKEARN C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002196786 569294621 /nfs/dbraw/zinc/29/46/21/569294621.db2.gz OMTXCISLDSQNMA-UHFFFAOYSA-N 0 0 406.617 5.558 50 30 HKEARN COc1cccc(CSc2nsc(SCc3cccc(OC)c3)c2C#N)c1 ZINC000002196993 569293655 /nfs/dbraw/zinc/29/36/55/569293655.db2.gz HOIIBXVGFKLYHE-UHFFFAOYSA-N 0 0 414.577 5.617 50 30 HKEARN N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1cccs1)CCCC2 ZINC000002197009 569293713 /nfs/dbraw/zinc/29/37/13/569293713.db2.gz BHKUVXLBGSCTQL-UHFFFAOYSA-N 0 0 414.958 6.645 50 30 HKEARN CCOC(=O)c1c(C#N)c(SCc2ccc(C(C)(C)C)cc2)nc2c1CCCC2 ZINC000002197153 569294657 /nfs/dbraw/zinc/29/46/57/569294657.db2.gz NDTKSYJKHKJPDX-UHFFFAOYSA-N 0 0 408.567 5.599 50 30 HKEARN C=CCc1c(C)nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c1C ZINC000002197584 569006971 /nfs/dbraw/zinc/00/69/71/569006971.db2.gz HBWSDEKWQCINNL-UHFFFAOYSA-N 0 0 416.344 5.239 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000002199185 569294784 /nfs/dbraw/zinc/29/47/84/569294784.db2.gz DCQBXIAHENZUTI-IIGRLWHBSA-N 0 0 407.564 5.536 50 30 HKEARN Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000002199307 569294745 /nfs/dbraw/zinc/29/47/45/569294745.db2.gz GIXWLNKBJJGFOB-GAWNTTMRSA-N 0 0 401.535 5.311 50 30 HKEARN Fc1nc(F)c(F)c(Oc2ccc(Oc3c(F)c(F)nc(F)c3F)cc2)c1F ZINC000002200055 569294868 /nfs/dbraw/zinc/29/48/68/569294868.db2.gz QMRGVHJJWINRIE-UHFFFAOYSA-N 0 0 408.204 5.174 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C4\c5cccc6c5N(CCC6)C4=O)cc3)sc2c1 ZINC000002200808 569295441 /nfs/dbraw/zinc/29/54/41/569295441.db2.gz NTTRFHJLYOSVSY-XTCLZLMSSA-N 0 0 409.514 5.685 50 30 HKEARN Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000002201266 569295495 /nfs/dbraw/zinc/29/54/95/569295495.db2.gz WYDPBYGEWSQWIE-BKUYFWCQSA-N 0 0 417.442 5.452 50 30 HKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000002201343 557325969 /nfs/dbraw/zinc/32/59/69/557325969.db2.gz XSLNNEGIHOZGBN-UHFFFAOYSA-N 0 0 410.510 5.104 50 30 HKEARN C=CCc1c(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c2c1C ZINC000002201959 569295504 /nfs/dbraw/zinc/29/55/04/569295504.db2.gz CUAQIRCWWAMCPE-UHFFFAOYSA-N 0 0 413.546 6.202 50 30 HKEARN N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccccc1Cl ZINC000002202721 569295669 /nfs/dbraw/zinc/29/56/69/569295669.db2.gz BFHIIMRCUDOZGE-UHFFFAOYSA-N 0 0 418.678 5.153 50 30 HKEARN C=CCc1c(C)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c1C ZINC000002204696 569296174 /nfs/dbraw/zinc/29/61/74/569296174.db2.gz MJNJPQOUCHXIHT-UHFFFAOYSA-N 0 0 401.329 5.217 50 30 HKEARN C=CCc1c(C)nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c2c1C ZINC000002204793 569296243 /nfs/dbraw/zinc/29/62/43/569296243.db2.gz ISVLLAHETJCCQD-UHFFFAOYSA-N 0 0 406.338 5.783 50 30 HKEARN C=C(C)Cn1c(SCCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002207994 569296878 /nfs/dbraw/zinc/29/68/78/569296878.db2.gz GCMAKPMHQYZLCO-UHFFFAOYSA-N 0 0 422.638 6.527 50 30 HKEARN Cc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000002208091 557326932 /nfs/dbraw/zinc/32/69/32/557326932.db2.gz CXUBOGDFPBIABP-UHFFFAOYSA-N 0 0 413.546 5.192 50 30 HKEARN C=C(C)Cn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002208093 569296897 /nfs/dbraw/zinc/29/68/97/569296897.db2.gz ZBKRFANJUMTRQU-UHFFFAOYSA-N 0 0 416.999 5.859 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(F)cc1 ZINC000002208112 569007079 /nfs/dbraw/zinc/00/70/79/569007079.db2.gz RGCWFXSQYBMKQC-UHFFFAOYSA-N 0 0 424.545 5.299 50 30 HKEARN C#CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002208214 569007051 /nfs/dbraw/zinc/00/70/51/569007051.db2.gz IPPGTORKBPGTNP-UHFFFAOYSA-N 0 0 404.579 5.194 50 30 biogenic HKEARN CC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000002209068 569297108 /nfs/dbraw/zinc/29/71/08/569297108.db2.gz MISNKYJCYIVJBT-JOCHJYFZSA-N 0 0 423.563 5.136 50 30 HKEARN C=CCOC(=O)c1cc(-c2cc(C(=O)OCC=C)c3ccccc3n2)nc2ccccc21 ZINC000002209614 569297226 /nfs/dbraw/zinc/29/72/26/569297226.db2.gz DPEGGIGSAUJVSV-UHFFFAOYSA-N 0 0 424.456 5.136 50 30 HKEARN N#Cc1c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)sc2c1CCC2 ZINC000002210240 569305891 /nfs/dbraw/zinc/30/58/91/569305891.db2.gz FLKLHPXRZYQURT-UHFFFAOYSA-N 0 0 403.872 5.137 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 ZINC000002210682 569299367 /nfs/dbraw/zinc/29/93/67/569299367.db2.gz YLSOOXYUYNXLHY-UHFFFAOYSA-N 0 0 403.898 5.147 50 30 HKEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000002210754 557326916 /nfs/dbraw/zinc/32/69/16/557326916.db2.gz SUGFPCWFCJHVDA-HYARGMPZSA-N 0 0 400.935 5.338 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000002212796 557327217 /nfs/dbraw/zinc/32/72/17/557327217.db2.gz JVMRZQLFQQKKKW-AFUMVMLFSA-N 0 0 414.921 6.076 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 ZINC000002213972 569007089 /nfs/dbraw/zinc/00/70/89/569007089.db2.gz LYRMPJBJHIZTAG-UHFFFAOYSA-N 0 0 406.555 5.096 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CCC3 ZINC000002215835 569310906 /nfs/dbraw/zinc/31/09/06/569310906.db2.gz OPTGCOSCMOEQEH-UHFFFAOYSA-N 0 0 423.390 5.732 50 30 HKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2cccc(Cl)c2)S1 ZINC000002217403 557665745 /nfs/dbraw/zinc/66/57/45/557665745.db2.gz ADXKJVFEBHGUQE-MNAVYHJGSA-N 0 0 414.745 6.304 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2cccc(Cl)c2)S1 ZINC000002217405 557665784 /nfs/dbraw/zinc/66/57/84/557665784.db2.gz ADXKJVFEBHGUQE-YYPWLFCJSA-N 0 0 414.745 6.304 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCc1ccccc1F ZINC000002217643 569311578 /nfs/dbraw/zinc/31/15/78/569311578.db2.gz ZMRGHBVMINHJFL-UHFFFAOYSA-N 0 0 414.480 6.858 50 30 HKEARN CC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N ZINC000002217910 569299582 /nfs/dbraw/zinc/29/95/82/569299582.db2.gz IWIPOJBAQDHEGZ-UHFFFAOYSA-N 0 0 419.525 5.433 50 30 HKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000002217919 569311658 /nfs/dbraw/zinc/31/16/58/569311658.db2.gz VYLHLEQNTRHRRN-UHFFFAOYSA-N 0 0 417.557 5.770 50 30 HKEARN Cc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1C ZINC000002218203 569311762 /nfs/dbraw/zinc/31/17/62/569311762.db2.gz QFXGGIWLVCUSHO-FRHWEDRMSA-N 0 0 408.545 6.259 50 30 HKEARN Cc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1C ZINC000002218206 569311723 /nfs/dbraw/zinc/31/17/23/569311723.db2.gz QFXGGIWLVCUSHO-YBNBZSSTSA-N 0 0 408.545 6.259 50 30 HKEARN CCCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000002218303 569311924 /nfs/dbraw/zinc/31/19/24/569311924.db2.gz SMCMOQIYNMPPDT-UHFFFAOYSA-N 0 0 403.570 7.277 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000002219291 569312106 /nfs/dbraw/zinc/31/21/06/569312106.db2.gz XIHYHVVFWMMUCK-JYAWBRCSSA-N 0 0 417.534 5.093 50 30 HKEARN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000002219995 569007058 /nfs/dbraw/zinc/00/70/58/569007058.db2.gz MPDFQVPBBJKTSU-UHFFFAOYSA-N 0 0 416.344 5.098 50 30 HKEARN Clc1ccc(N2CCN(/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000002220520 557328122 /nfs/dbraw/zinc/32/81/22/557328122.db2.gz MDTDPCVBPXGMQV-NLRVBDNBSA-N 0 0 405.929 5.075 50 30 HKEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000002220934 569312946 /nfs/dbraw/zinc/31/29/46/569312946.db2.gz QNDWKEZNHNXNOO-HSALFYBXSA-N 0 0 422.573 5.233 50 30 HKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002221293 569312855 /nfs/dbraw/zinc/31/28/55/569312855.db2.gz NLBVCOVKKAFPFD-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2F)cc1 ZINC000002221503 569312810 /nfs/dbraw/zinc/31/28/10/569312810.db2.gz OAIQLBBGYPWTSS-UHFFFAOYSA-N 0 0 416.481 5.246 50 30 HKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2ccccc2c1 ZINC000002221791 569313125 /nfs/dbraw/zinc/31/31/25/569313125.db2.gz IAFGBMPTWSQGQH-UHFFFAOYSA-N 0 0 405.548 5.245 50 30 HKEARN CCCCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000002224838 569313586 /nfs/dbraw/zinc/31/35/86/569313586.db2.gz MUGJFMZABPYNRE-UHFFFAOYSA-N 0 0 417.597 7.667 50 30 HKEARN N#CC1(C#N)C[C@H](C(=O)c2ccccc2)C(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000002226303 569315270 /nfs/dbraw/zinc/31/52/70/569315270.db2.gz HTWAUSQLONLFDW-ZEQRLZLVSA-N 0 0 418.496 5.596 50 30 HKEARN N#CC1(C#N)C[C@@H](C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000002226305 569315284 /nfs/dbraw/zinc/31/52/84/569315284.db2.gz HTWAUSQLONLFDW-DNQXCXABSA-N 0 0 418.496 5.596 50 30 HKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002227724 557668829 /nfs/dbraw/zinc/66/88/29/557668829.db2.gz IDUSBCYNSDSSDC-NDEPHWFRSA-N 0 0 424.588 6.996 50 30 HKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002227726 557668739 /nfs/dbraw/zinc/66/87/39/557668739.db2.gz IDUSBCYNSDSSDC-MUUNZHRXSA-N 0 0 424.588 6.996 50 30 HKEARN O=C1/C(=C\c2ccc(-c3ccccc3)o2)CCCC/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002227792 569317284 /nfs/dbraw/zinc/31/72/84/569317284.db2.gz KTOSWUNOTSYLBY-SRPFLQSCSA-N 0 0 420.508 7.817 50 30 HKEARN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000002228216 569317281 /nfs/dbraw/zinc/31/72/81/569317281.db2.gz FSVBPSJVYRWGQT-MSXFZWOLSA-N 0 0 416.860 5.854 50 30 HKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 ZINC000002229663 569317556 /nfs/dbraw/zinc/31/75/56/569317556.db2.gz HYJHCCAUGUMEKR-QFIPXVFZSA-N 0 0 412.580 5.178 50 30 HKEARN C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 ZINC000002229665 569317566 /nfs/dbraw/zinc/31/75/66/569317566.db2.gz HYJHCCAUGUMEKR-JOCHJYFZSA-N 0 0 412.580 5.178 50 30 HKEARN C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000002229702 569317537 /nfs/dbraw/zinc/31/75/37/569317537.db2.gz HVZXWIPKWVHFRH-UHFFFAOYSA-N 0 0 402.563 5.612 50 30 HKEARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc(C#N)cc2)cc1 ZINC000002230094 569312878 /nfs/dbraw/zinc/31/28/78/569312878.db2.gz JUGSBLKRRAZHPT-UHFFFAOYSA-N 0 0 402.548 5.392 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002230129 569317599 /nfs/dbraw/zinc/31/75/99/569317599.db2.gz NNXNNRAMHXDNLD-UHFFFAOYSA-N 0 0 406.595 5.913 50 30 biogenic HKEARN CCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccccc2Cl)c1C#N ZINC000002230291 569319489 /nfs/dbraw/zinc/31/94/89/569319489.db2.gz IBEBBWMISWGVSG-UHFFFAOYSA-N 0 0 421.953 6.337 50 30 HKEARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C ZINC000002231095 569319680 /nfs/dbraw/zinc/31/96/80/569319680.db2.gz JSZAGANPOXBDTG-UHFFFAOYSA-N 0 0 414.870 5.271 50 30 HKEARN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002233037 557329617 /nfs/dbraw/zinc/32/96/17/557329617.db2.gz IXAFIIZMNHMTOD-WSDLNYQXSA-N 0 0 420.369 5.269 50 30 HKEARN C=C(C)Cn1c(SCCc2ccccc2)nc2ccc(Br)cc2c1=O ZINC000002234134 560559468 /nfs/dbraw/zinc/55/94/68/560559468.db2.gz HMFAQERQYYXZAB-UHFFFAOYSA-N 0 0 415.356 5.070 50 30 HKEARN O=C(Cc1cccc2ccccc21)OCC#CCSc1nc2ccccc2s1 ZINC000002235037 569007092 /nfs/dbraw/zinc/00/70/92/569007092.db2.gz OBOANQKFCOYERC-UHFFFAOYSA-N 0 0 403.528 5.331 50 30 HKEARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)c1 ZINC000002235146 569321313 /nfs/dbraw/zinc/32/13/13/569321313.db2.gz STNIUFZATNBYLB-MONKAWABSA-N 0 0 415.518 5.160 50 30 HKEARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)c1 ZINC000002235150 569321271 /nfs/dbraw/zinc/32/12/71/569321271.db2.gz STNIUFZATNBYLB-TYGLDRHGSA-N 0 0 415.518 5.160 50 30 HKEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002235405 557329665 /nfs/dbraw/zinc/32/96/65/557329665.db2.gz AGLSTAVNMVELAE-RQVUTRMESA-N 0 0 405.310 5.097 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000002237892 569321785 /nfs/dbraw/zinc/32/17/85/569321785.db2.gz PUBYHTVKVPEPNN-NDENLUEZSA-N 0 0 424.978 5.730 50 30 HKEARN CCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002239329 569322588 /nfs/dbraw/zinc/32/25/88/569322588.db2.gz XFWAHRHVYPGJPH-UHFFFAOYSA-N 0 0 408.910 5.596 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1C ZINC000002239540 569007119 /nfs/dbraw/zinc/00/71/19/569007119.db2.gz BEVHYSLSKNODAD-UHFFFAOYSA-N 0 0 420.582 5.468 50 30 HKEARN CC(C)(C)c1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 ZINC000002239978 569319066 /nfs/dbraw/zinc/31/90/66/569319066.db2.gz VZTKAVIWVWQKCW-UHFFFAOYSA-N 0 0 418.631 7.150 50 30 HKEARN C=CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002240196 569007080 /nfs/dbraw/zinc/00/70/80/569007080.db2.gz XEWAIXHQAQYINI-UHFFFAOYSA-N 0 0 406.595 6.062 50 30 biogenic HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000002240447 569007097 /nfs/dbraw/zinc/00/70/97/569007097.db2.gz IDOSURUESKGEPK-UHFFFAOYSA-N 0 0 402.972 5.648 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 ZINC000002245438 569324112 /nfs/dbraw/zinc/32/41/12/569324112.db2.gz BQZOTPWBRLJACC-UHFFFAOYSA-N 0 0 410.562 5.730 50 30 HKEARN Cc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 ZINC000002245714 569324124 /nfs/dbraw/zinc/32/41/24/569324124.db2.gz AITCAINRYVABIW-UHFFFAOYSA-N 0 0 413.546 5.192 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000002246512 569324211 /nfs/dbraw/zinc/32/42/11/569324211.db2.gz JDWRGSMSAAANEU-UHFFFAOYSA-N 0 0 418.562 5.588 50 30 HKEARN COc1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1OC ZINC000002246920 569324223 /nfs/dbraw/zinc/32/42/23/569324223.db2.gz PBSLVDOMLHXVRT-UHFFFAOYSA-N 0 0 412.599 6.468 50 30 HKEARN Cc1ccc(-c2nc(SCc3ccc(Cl)cc3)c(C#N)c3c2CCCC3)cc1 ZINC000002247404 569324341 /nfs/dbraw/zinc/32/43/41/569324341.db2.gz UDTWEHJEDIBEGY-UHFFFAOYSA-N 0 0 404.966 6.753 50 30 HKEARN N#Cc1c2c(sc1NCc1c(O)ccc3ccccc31)CCCCCCCCCC2 ZINC000002249028 569324407 /nfs/dbraw/zinc/32/44/07/569324407.db2.gz USMDRONJMQJULI-UHFFFAOYSA-N 0 0 418.606 7.310 50 30 HKEARN CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000002250225 569323969 /nfs/dbraw/zinc/32/39/69/569323969.db2.gz SPBWLYZWZBBJBX-QGZVFWFLSA-N 0 0 400.269 5.249 50 30 HKEARN CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000002250226 569323958 /nfs/dbraw/zinc/32/39/58/569323958.db2.gz SPBWLYZWZBBJBX-KRWDZBQOSA-N 0 0 400.269 5.249 50 30 HKEARN C=CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O ZINC000002250370 569323975 /nfs/dbraw/zinc/32/39/75/569323975.db2.gz FMLHLORAAPRPOY-UHFFFAOYSA-N 0 0 419.565 5.567 50 30 HKEARN CCCCCCCCn1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000002251695 569324057 /nfs/dbraw/zinc/32/40/57/569324057.db2.gz DYYWAHSOHUMWSR-UHFFFAOYSA-N 0 0 417.557 5.770 50 30 HKEARN C(=C/c1ccccc1)\C=N\c1ccc(-c2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 ZINC000002252003 569324002 /nfs/dbraw/zinc/32/40/02/569324002.db2.gz BKBAIJQCUFJKKU-GXTDLMGOSA-N 0 0 412.536 8.185 50 30 HKEARN C=C(C)Cn1c(SCCCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002254708 569326222 /nfs/dbraw/zinc/32/62/22/569326222.db2.gz FLHSTFZNTFMWND-UHFFFAOYSA-N 0 0 422.638 6.527 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002254784 569326168 /nfs/dbraw/zinc/32/61/68/569326168.db2.gz XQXGXUHVKZMORA-UHFFFAOYSA-N 0 0 418.672 6.905 50 30 HKEARN C=CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000002255988 569326258 /nfs/dbraw/zinc/32/62/58/569326258.db2.gz RBLXAURTLCHENS-UHFFFAOYSA-N 0 0 404.535 5.198 50 30 HKEARN COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002256417 569326431 /nfs/dbraw/zinc/32/64/31/569326431.db2.gz RBOGPKVWIXSIBP-HXUWFJFHSA-N 0 0 415.276 6.079 50 30 HKEARN COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002256418 569326386 /nfs/dbraw/zinc/32/63/86/569326386.db2.gz RBOGPKVWIXSIBP-FQEVSTJZSA-N 0 0 415.276 6.079 50 30 HKEARN Cc1ccc(-c2nc(SCc3ccccc3Cl)c(C#N)c3c2CCCC3)cc1 ZINC000002256552 569326453 /nfs/dbraw/zinc/32/64/53/569326453.db2.gz INAHSIUKQKWQMD-UHFFFAOYSA-N 0 0 404.966 6.753 50 30 HKEARN CCCCCCCCn1c2ncn(CC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000002256605 569326430 /nfs/dbraw/zinc/32/64/30/569326430.db2.gz ZZNGDXYNSKBSKX-UHFFFAOYSA-N 0 0 405.546 5.311 50 30 HKEARN CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(CC(C)C)c2=O ZINC000002256754 569326401 /nfs/dbraw/zinc/32/64/01/569326401.db2.gz IYMXAJJERLLWGP-UHFFFAOYSA-N 0 0 419.573 5.619 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCc3ccccc3)nc12 ZINC000002257342 569324881 /nfs/dbraw/zinc/32/48/81/569324881.db2.gz SLXOUDYIDURNJP-MFKUBSTISA-N 0 0 402.885 5.019 50 30 HKEARN COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)c1 ZINC000002259091 569325024 /nfs/dbraw/zinc/32/50/24/569325024.db2.gz VFVKCUGHHSHISX-UHFFFAOYSA-N 0 0 414.555 6.650 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000002260075 569324962 /nfs/dbraw/zinc/32/49/62/569324962.db2.gz LJGVTRXEFQGBTI-KVZWLNNISA-N 0 0 413.974 5.673 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000002260108 569324992 /nfs/dbraw/zinc/32/49/92/569324992.db2.gz AJDWCAPTDNGUFZ-VDFJPTLYSA-N 0 0 415.562 5.701 50 30 HKEARN O=C(OCC#CCSc1nc2ccccc2s1)c1ccccc1Br ZINC000002260329 569325179 /nfs/dbraw/zinc/32/51/79/569325179.db2.gz ZGOWXIMGGLYZTE-UHFFFAOYSA-N 0 0 418.337 5.011 50 30 HKEARN CCSc1nc(-c2ccccc2)cc(-c2cc(OC)c(OC)c(OC)c2)c1C#N ZINC000002260378 569325204 /nfs/dbraw/zinc/32/52/04/569325204.db2.gz QVXCKNSCIQRKLA-UHFFFAOYSA-N 0 0 406.507 5.425 50 30 HKEARN CCOC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002262038 569325335 /nfs/dbraw/zinc/32/53/35/569325335.db2.gz MNDDVQFRJUENAK-UHFFFAOYSA-N 0 0 414.939 5.657 50 30 HKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(Cl)c2)C12CCCC2 ZINC000002262167 569325299 /nfs/dbraw/zinc/32/52/99/569325299.db2.gz YXIHJFMXWCECNP-DAFNUICNSA-N 0 0 412.002 6.793 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000002263114 569325462 /nfs/dbraw/zinc/32/54/62/569325462.db2.gz HCWNLRXQCUAPJV-LIQAOFCOSA-N 0 0 401.535 5.474 50 30 HKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002263451 569007141 /nfs/dbraw/zinc/00/71/41/569007141.db2.gz YSYRJURNCMQHGC-UHFFFAOYSA-N 0 0 411.379 5.860 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc(C)c(C)c2c1=O ZINC000002264101 569325573 /nfs/dbraw/zinc/32/55/73/569325573.db2.gz IFJVDGORZHGSIT-UHFFFAOYSA-N 0 0 420.559 5.389 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1F)CCCC3 ZINC000002265247 569007151 /nfs/dbraw/zinc/00/71/51/569007151.db2.gz QQOSQCJAMPJWRZ-UHFFFAOYSA-N 0 0 404.507 5.093 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1/N=C/c1c(O)ccc2ccccc21 ZINC000002266583 569325910 /nfs/dbraw/zinc/32/59/10/569325910.db2.gz DHJBTEPKYNWMKH-VFCFBJKWSA-N 0 0 413.565 7.396 50 30 HKEARN O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000002266687 569325795 /nfs/dbraw/zinc/32/57/95/569325795.db2.gz ZUURTBSFJCPVOU-NGBZPGHQSA-N 0 0 414.504 7.061 50 30 biogenic HKEARN O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1ccccc1 ZINC000002266689 569325793 /nfs/dbraw/zinc/32/57/93/569325793.db2.gz ZUURTBSFJCPVOU-ILUFSXPBSA-N 0 0 414.504 7.061 50 30 biogenic HKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccccc2C(=O)c2ccccc2)O1 ZINC000002266736 569325777 /nfs/dbraw/zinc/32/57/77/569325777.db2.gz IEIVFIBSUCKLIO-AAKABQDTSA-N 0 0 409.485 6.328 50 30 HKEARN Oc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc5ccccc5n4)s3)s2)cc1 ZINC000002267302 569325779 /nfs/dbraw/zinc/32/57/79/569325779.db2.gz MJMJOTBCKIXWSJ-MFKUBSTISA-N 0 0 412.539 7.148 50 30 HKEARN COc1ccc(-c2oc3c4c2C=C(C(C)(C)C)C(=O)c4ccc3C(C)(C)C)cc1OC ZINC000002267463 569325822 /nfs/dbraw/zinc/32/58/22/569325822.db2.gz GEVCXIXWTQLHSR-UHFFFAOYSA-N 0 0 418.533 7.040 50 30 HKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2sc3c(c2C(N)=O)CCCC3)O1 ZINC000002267478 569325766 /nfs/dbraw/zinc/32/57/66/569325766.db2.gz PYQSUODPNDPTFF-SHFDBDPCSA-N 0 0 408.523 5.136 50 30 HKEARN C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002268992 569325961 /nfs/dbraw/zinc/32/59/61/569325961.db2.gz OBJDAFVKDMMZNH-UHFFFAOYSA-N 0 0 403.576 6.454 50 30 HKEARN C=CCSC1=N[C@H](c2ccccc2)N2C(SCC=C)=N[C@H](c3ccccc3)N12 ZINC000002269534 569325970 /nfs/dbraw/zinc/32/59/70/569325970.db2.gz XMUOHOCVMIOUES-PMACEKPBSA-N 0 0 406.580 5.481 50 30 HKEARN C=CCSC1=N[C@@H](c2ccccc2)N2C(SCC=C)=N[C@@H](c3ccccc3)N12 ZINC000002269535 569325950 /nfs/dbraw/zinc/32/59/50/569325950.db2.gz XMUOHOCVMIOUES-WOJBJXKFSA-N 0 0 406.580 5.481 50 30 HKEARN COc1ccc(/N=C(/Sc2nc3ccccc3o2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002269831 569326637 /nfs/dbraw/zinc/32/66/37/569326637.db2.gz XXJUHOLKUVXDIO-LSDHQDQOSA-N 0 0 405.435 5.615 50 30 HKEARN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000002269940 569326576 /nfs/dbraw/zinc/32/65/76/569326576.db2.gz JCLLHRGLIFASKQ-KRWDZBQOSA-N 0 0 410.583 6.058 50 30 HKEARN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002269941 569326625 /nfs/dbraw/zinc/32/66/25/569326625.db2.gz JCLLHRGLIFASKQ-QGZVFWFLSA-N 0 0 410.583 6.058 50 30 HKEARN CCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1O ZINC000002270047 569326588 /nfs/dbraw/zinc/32/65/88/569326588.db2.gz DVIUBBOOIWHVBH-HYARGMPZSA-N 0 0 400.320 5.835 50 30 HKEARN CCCCCCCCOc1cccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)c1 ZINC000002270068 569326644 /nfs/dbraw/zinc/32/66/44/569326644.db2.gz INAGPIQXROLGHJ-WPWMEQJKSA-N 0 0 416.525 5.499 50 30 HKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000002270445 557333272 /nfs/dbraw/zinc/33/32/72/557333272.db2.gz VURLRJSHWOZOJJ-RELWKKBWSA-N 0 0 423.628 6.675 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 ZINC000002270563 569007064 /nfs/dbraw/zinc/00/70/64/569007064.db2.gz YQXWKAXAEJDEGL-INIZCTEOSA-N 0 0 424.635 6.185 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002270564 569007068 /nfs/dbraw/zinc/00/70/68/569007068.db2.gz YQXWKAXAEJDEGL-MRXNPFEDSA-N 0 0 424.635 6.185 50 30 HKEARN C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002270610 569007066 /nfs/dbraw/zinc/00/70/66/569007066.db2.gz SKCJEPVLMAHESR-INIZCTEOSA-N 0 0 418.672 6.323 50 30 HKEARN C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002270611 569007071 /nfs/dbraw/zinc/00/70/71/569007071.db2.gz SKCJEPVLMAHESR-MRXNPFEDSA-N 0 0 418.672 6.323 50 30 HKEARN CC(=O)c1ccc(N=Cc2c([O-])c(C(=O)Nc3ccccc3)cc3ccccc32)cc1 ZINC000002270624 569326552 /nfs/dbraw/zinc/32/65/52/569326552.db2.gz SUXRFOAQXDWBCE-JVWAILMASA-N 0 0 408.457 5.751 50 30 HKEARN CC(=O)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000002270992 569326627 /nfs/dbraw/zinc/32/66/27/569326627.db2.gz BXGHQZSUCAQRBW-UHFFFAOYSA-N 0 0 408.494 5.012 50 30 HKEARN C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002271202 569326601 /nfs/dbraw/zinc/32/66/01/569326601.db2.gz ULMOBIZDOHWLPS-UHFFFAOYSA-N 0 0 406.617 5.558 50 30 HKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCCC3 ZINC000002271549 569327056 /nfs/dbraw/zinc/32/70/56/569327056.db2.gz RVKCKOBFCDIKDI-UHFFFAOYSA-N 0 0 422.579 5.032 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 ZINC000002271833 569327098 /nfs/dbraw/zinc/32/70/98/569327098.db2.gz OCWYOOPJXDFROV-UHFFFAOYSA-N 0 0 412.580 5.393 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002272396 569327511 /nfs/dbraw/zinc/32/75/11/569327511.db2.gz FNYZLTVZJVIBKC-KRWDZBQOSA-N 0 0 424.635 5.935 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002272397 569327509 /nfs/dbraw/zinc/32/75/09/569327509.db2.gz FNYZLTVZJVIBKC-QGZVFWFLSA-N 0 0 424.635 5.935 50 30 HKEARN CCCCCCCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3[nH]2)c1=O ZINC000002272809 569327542 /nfs/dbraw/zinc/32/75/42/569327542.db2.gz WROKKDBMQLWYHK-UHFFFAOYSA-N 0 0 403.526 6.001 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002272828 569327515 /nfs/dbraw/zinc/32/75/15/569327515.db2.gz OBJQVXAWTHQLFE-UHFFFAOYSA-N 0 0 414.574 5.936 50 30 HKEARN O=C1C=CC2=N[C@]3(c4ccccc4)C[C@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 ZINC000002273166 569327631 /nfs/dbraw/zinc/32/76/31/569327631.db2.gz QWNGNSVEQORLJT-RNWIMVQKSA-N 0 0 414.508 5.847 50 30 HKEARN O=C1C=CC2=N[C@]3(c4ccccc4)C[C@@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 ZINC000002273167 569327599 /nfs/dbraw/zinc/32/75/99/569327599.db2.gz QWNGNSVEQORLJT-MUAVYFROSA-N 0 0 414.508 5.847 50 30 HKEARN O=C1C=CC2=N[C@@]3(c4ccccc4)C[C@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 ZINC000002273168 569327629 /nfs/dbraw/zinc/32/76/29/569327629.db2.gz QWNGNSVEQORLJT-BTYSJIOQSA-N 0 0 414.508 5.847 50 30 HKEARN O=C1C=CC2=N[C@@]3(c4ccccc4)C[C@@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 ZINC000002273169 569327668 /nfs/dbraw/zinc/32/76/68/569327668.db2.gz QWNGNSVEQORLJT-IADCTJSHSA-N 0 0 414.508 5.847 50 30 HKEARN C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002273750 569327590 /nfs/dbraw/zinc/32/75/90/569327590.db2.gz BVCSQZXFYHAZCN-INIZCTEOSA-N 0 0 418.672 6.467 50 30 HKEARN C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002273751 569327600 /nfs/dbraw/zinc/32/76/00/569327600.db2.gz BVCSQZXFYHAZCN-MRXNPFEDSA-N 0 0 418.672 6.467 50 30 HKEARN CCc1c(C#N)c(SCC(=O)c2cccs2)nc(C)c1C(=O)Nc1ccccc1 ZINC000002274648 569327765 /nfs/dbraw/zinc/32/77/65/569327765.db2.gz WOPIQAVOGBCCQG-UHFFFAOYSA-N 0 0 421.547 5.113 50 30 HKEARN CCCCCCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000002274699 569327757 /nfs/dbraw/zinc/32/77/57/569327757.db2.gz ZZEGNVMATSOBKN-UHFFFAOYSA-N 0 0 402.563 6.968 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@H](C(C)(C)C)C3 ZINC000002275146 569007090 /nfs/dbraw/zinc/00/70/90/569007090.db2.gz HDIOXAPVKPSZLE-HNNXBMFYSA-N 0 0 402.629 5.853 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@@H](C(C)(C)C)C3 ZINC000002275147 569007087 /nfs/dbraw/zinc/00/70/87/569007087.db2.gz HDIOXAPVKPSZLE-OAHLLOKOSA-N 0 0 402.629 5.853 50 30 HKEARN C=CCc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc21 ZINC000002276150 569007117 /nfs/dbraw/zinc/00/71/17/569007117.db2.gz ULMLNLWHWRVAPL-UHFFFAOYSA-N 0 0 409.485 5.364 50 30 HKEARN N#Cc1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)/C=C/c1ccccc1 ZINC000002276319 569327863 /nfs/dbraw/zinc/32/78/63/569327863.db2.gz JPEDHMCDQURWMM-FOCLMDBBSA-N 0 0 421.504 5.613 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Cl)c1Cl ZINC000002276607 557333462 /nfs/dbraw/zinc/33/34/62/557333462.db2.gz FLLUVGJIVYQTKS-IFRROFPPSA-N 0 0 418.136 5.730 50 30 HKEARN CCCCCCCCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000002276950 569327885 /nfs/dbraw/zinc/32/78/85/569327885.db2.gz QYROOJIPHFSSBK-UHFFFAOYSA-N 0 0 413.525 5.767 50 30 HKEARN Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1 ZINC000002277145 569326560 /nfs/dbraw/zinc/32/65/60/569326560.db2.gz PICOCZPYFPDFGX-UHFFFAOYSA-N 0 0 403.445 5.006 50 30 HKEARN CC(=O)Oc1ccc(Br)cc1/N=C/c1sc2ccccc2c1Cl ZINC000002277896 569327871 /nfs/dbraw/zinc/32/78/71/569327871.db2.gz NNJXOFVPKFPYLS-AWQFTUOYSA-N 0 0 408.704 5.993 50 30 HKEARN CCCCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1Cl ZINC000002278205 569327877 /nfs/dbraw/zinc/32/78/77/569327877.db2.gz ABIGPTDIQKRVCS-UHFFFAOYSA-N 0 0 403.873 5.162 50 30 HKEARN CCn1c2ccccc2c2cc(-n3c(N)c(C#N)c4nc5ccccc5nc43)ccc21 ZINC000002280010 569328008 /nfs/dbraw/zinc/32/80/08/569328008.db2.gz WJGRESYFCKXSEW-UHFFFAOYSA-N 0 0 402.461 5.155 50 30 HKEARN N#Cc1c2nc3ccccc3nc2n(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002281446 569364132 /nfs/dbraw/zinc/36/41/32/569364132.db2.gz WPWSUXMNGQHMCO-UHFFFAOYSA-N 0 0 423.863 5.351 50 30 HKEARN CCCCCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1Cl ZINC000002281709 569364099 /nfs/dbraw/zinc/36/40/99/569364099.db2.gz ZSZWLKACNJNVLQ-UHFFFAOYSA-N 0 0 417.900 5.552 50 30 HKEARN Cc1ccn2c(c1)nc(-c1ccccc1)c2/N=C/c1cc(Br)ccc1O ZINC000002282592 569364221 /nfs/dbraw/zinc/36/42/21/569364221.db2.gz PYGAVKDJAHOLCG-YDZHTSKRSA-N 0 0 406.283 5.528 50 30 HKEARN CC(Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)=C1C(=O)c2ccccc2C1=O ZINC000002283039 569364280 /nfs/dbraw/zinc/36/42/80/569364280.db2.gz JIXNSBNPVFGJCT-UHFFFAOYSA-N 0 0 410.498 6.037 50 30 HKEARN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000002283292 569364363 /nfs/dbraw/zinc/36/43/63/569364363.db2.gz ITULBBUZRBTQIP-LUJVFJMUSA-N 0 0 416.524 7.029 50 30 HKEARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000002283294 569364409 /nfs/dbraw/zinc/36/44/09/569364409.db2.gz ITULBBUZRBTQIP-AWUWXFTQSA-N 0 0 416.524 7.029 50 30 HKEARN CCc1ccc(N=C(NC(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1 ZINC000002283864 557334300 /nfs/dbraw/zinc/33/43/00/557334300.db2.gz OJMQRCKPSONDTA-UHFFFAOYSA-N 0 0 422.920 5.231 50 30 HKEARN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c(O)ccc2ccccc21 ZINC000002284234 557685584 /nfs/dbraw/zinc/68/55/84/557685584.db2.gz LJUIVKXADGNFOU-AFUMVMLFSA-N 0 0 401.487 6.201 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 ZINC000002284494 569364377 /nfs/dbraw/zinc/36/43/77/569364377.db2.gz OIQLNJXEZXXLOL-QGZVFWFLSA-N 0 0 418.628 5.729 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 ZINC000002284495 569364354 /nfs/dbraw/zinc/36/43/54/569364354.db2.gz OIQLNJXEZXXLOL-KRWDZBQOSA-N 0 0 418.628 5.729 50 30 HKEARN CCCCCCCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1 ZINC000002284628 557334399 /nfs/dbraw/zinc/33/43/99/557334399.db2.gz LZQSKBZFGXSWOV-JOCHJYFZSA-N 0 0 421.541 5.038 50 30 HKEARN CCCCCCCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1 ZINC000002284629 557334311 /nfs/dbraw/zinc/33/43/11/557334311.db2.gz LZQSKBZFGXSWOV-QFIPXVFZSA-N 0 0 421.541 5.038 50 30 HKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cccc12 ZINC000002285000 569364461 /nfs/dbraw/zinc/36/44/61/569364461.db2.gz GKTSQVOCSTULAB-UHFFFAOYSA-N 0 0 405.538 6.736 50 30 HKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 ZINC000002285061 569364523 /nfs/dbraw/zinc/36/45/23/569364523.db2.gz IIYUHYLWLPLDQW-UHFFFAOYSA-N 0 0 412.624 6.307 50 30 HKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 ZINC000002285113 569364517 /nfs/dbraw/zinc/36/45/17/569364517.db2.gz KBJLIYUOQQYHHT-NDENLUEZSA-N 0 0 419.462 5.363 50 30 HKEARN CCCCCCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000002285136 569364504 /nfs/dbraw/zinc/36/45/04/569364504.db2.gz JJXUYQHHOCPHSU-UHFFFAOYSA-N 0 0 415.541 5.246 50 30 HKEARN C=CCNC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000002285698 569364500 /nfs/dbraw/zinc/36/45/00/569364500.db2.gz NAQZXFPRTQDZLT-MHZLTWQESA-N 0 0 410.517 5.042 50 30 HKEARN C=CCNC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000002285699 569364501 /nfs/dbraw/zinc/36/45/01/569364501.db2.gz NAQZXFPRTQDZLT-HHHXNRCGSA-N 0 0 410.517 5.042 50 30 HKEARN Cc1ccn2cc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 ZINC000002288481 569364772 /nfs/dbraw/zinc/36/47/72/569364772.db2.gz UZBWOMFYAFWXKQ-FSJBWODESA-N 0 0 406.283 5.528 50 30 HKEARN CCc1ccc(C(c2ccc(CC)cc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000002289128 557334573 /nfs/dbraw/zinc/33/45/73/557334573.db2.gz QCYMGPRLJVLDJP-UHFFFAOYSA-N 0 0 413.473 5.038 50 30 HKEARN C=C(C)CSc1nnc2n1c1c(c(=O)n2CC)C2(CCCCC2)Cc2ccccc2-1 ZINC000002292492 569369490 /nfs/dbraw/zinc/36/94/90/569369490.db2.gz CXLNWVNAADWIDG-UHFFFAOYSA-N 0 0 420.582 5.004 50 30 HKEARN CCN(CCC#N)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000002294010 569369280 /nfs/dbraw/zinc/36/92/80/569369280.db2.gz XNXYGFFRICQCBD-UHFFFAOYSA-N 0 0 419.472 5.460 50 30 HKEARN CC(=O)OC1=C([C@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)CC(C)(C)C1 ZINC000002294577 569369318 /nfs/dbraw/zinc/36/93/18/569369318.db2.gz MBNUYNRJAIEFPR-OAQYLSRUSA-N 0 0 408.494 5.012 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/nfs/dbraw/zinc/00/72/14/569007214.db2.gz ZPJUDONXWZDDIK-KRWDZBQOSA-N 0 0 420.582 5.684 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 ZINC000002338618 569376145 /nfs/dbraw/zinc/37/61/45/569376145.db2.gz MVPKNWWBVSLKDK-INIZCTEOSA-N 0 0 424.635 6.185 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 ZINC000002338620 569376149 /nfs/dbraw/zinc/37/61/49/569376149.db2.gz MVPKNWWBVSLKDK-MRXNPFEDSA-N 0 0 424.635 6.185 50 30 HKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000002338816 569376109 /nfs/dbraw/zinc/37/61/09/569376109.db2.gz FSNQJAHCOXEILL-MSXFZWOLSA-N 0 0 400.405 5.340 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1C ZINC000002339434 569007245 /nfs/dbraw/zinc/00/72/45/569007245.db2.gz YURDJLQINMFDHD-UHFFFAOYSA-N 0 0 406.555 5.041 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC(Br)=Cc1ccccc1 ZINC000002340259 557338620 /nfs/dbraw/zinc/33/86/20/557338620.db2.gz BMKJGUSHJUERCD-OUJXGQAASA-N 0 0 419.735 5.157 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC(Br)=Cc1ccccc1 ZINC000002340263 557338571 /nfs/dbraw/zinc/33/85/71/557338571.db2.gz BMKJGUSHJUERCD-MCXKGUMDSA-N 0 0 419.735 5.157 50 30 HKEARN C=CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000002342351 569376392 /nfs/dbraw/zinc/37/63/92/569376392.db2.gz BAEAYEWGOUEGMW-UHFFFAOYSA-N 0 0 414.574 5.854 50 30 HKEARN Cc1cc(C)cc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)c1 ZINC000002342601 569376338 /nfs/dbraw/zinc/37/63/38/569376338.db2.gz MLGWUOZIQVXYGZ-FRHWEDRMSA-N 0 0 408.545 6.259 50 30 HKEARN Cc1cc(C)cc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)c1 ZINC000002342604 569376382 /nfs/dbraw/zinc/37/63/82/569376382.db2.gz MLGWUOZIQVXYGZ-YBNBZSSTSA-N 0 0 408.545 6.259 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000002343171 569376519 /nfs/dbraw/zinc/37/65/19/569376519.db2.gz MWGUENIFBORDOX-WCQPBMKCSA-N 0 0 415.562 5.782 50 30 HKEARN C=CCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 ZINC000002344500 569376612 /nfs/dbraw/zinc/37/66/12/569376612.db2.gz WQHWQEWBWUVPHC-UHFFFAOYSA-N 0 0 409.584 5.243 50 30 HKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccncc2)c1C#N ZINC000002346368 569376177 /nfs/dbraw/zinc/37/61/77/569376177.db2.gz SATGGLHOAGYCLN-UHFFFAOYSA-N 0 0 409.514 5.983 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)=O)cc1)C2=O ZINC000002346416 557338720 /nfs/dbraw/zinc/33/87/20/557338720.db2.gz WDSSDCFTSFWEBL-UHFFFAOYSA-N 0 0 421.493 5.207 50 30 HKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1nc2ccccc2s1 ZINC000002346497 569379272 /nfs/dbraw/zinc/37/92/72/569379272.db2.gz WHZCZZWGDWDBOR-UHFFFAOYSA-N 0 0 408.533 5.022 50 30 HKEARN N#Cc1c(SCc2ccccn2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000002346499 569379300 /nfs/dbraw/zinc/37/93/00/569379300.db2.gz PPGFALUJHUHBBE-UHFFFAOYSA-N 0 0 403.507 6.175 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(F)cc1 ZINC000002346522 569007205 /nfs/dbraw/zinc/00/72/05/569007205.db2.gz UWWCWQMHHBEPJO-UHFFFAOYSA-N 0 0 410.518 5.124 50 30 HKEARN C#CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002346853 569007158 /nfs/dbraw/zinc/00/71/58/569007158.db2.gz DOFAUAQFXVDSLH-UHFFFAOYSA-N 0 0 404.579 5.509 50 30 biogenic HKEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1Cl ZINC000002347354 569007202 /nfs/dbraw/zinc/00/72/02/569007202.db2.gz NRFVPIODPPKVMR-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000002348377 557339115 /nfs/dbraw/zinc/33/91/15/557339115.db2.gz UPMVFTFEZZCKQY-MHZLTWQESA-N 0 0 405.522 7.015 50 30 HKEARN Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000002348379 557338961 /nfs/dbraw/zinc/33/89/61/557338961.db2.gz UPMVFTFEZZCKQY-HHHXNRCGSA-N 0 0 405.522 7.015 50 30 HKEARN CCCCCCCCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21 ZINC000002348571 569380476 /nfs/dbraw/zinc/38/04/76/569380476.db2.gz FAHQFKNNDOPRND-UHFFFAOYSA-N 0 0 420.557 6.076 50 30 HKEARN C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002350286 569381307 /nfs/dbraw/zinc/38/13/07/569381307.db2.gz HDWRBDCVHASDIS-UHFFFAOYSA-N 0 0 424.635 6.472 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002350290 557339222 /nfs/dbraw/zinc/33/92/22/557339222.db2.gz YIUIOVKOGQXYKJ-ZVHZXABRSA-N 0 0 420.925 5.348 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1csc(-c2ccccc2)n1 ZINC000002350703 569381283 /nfs/dbraw/zinc/38/12/83/569381283.db2.gz DQYKHTWUDQXBAQ-RPWUZVMVSA-N 0 0 413.498 5.712 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1csc(-c2ccccc2)n1 ZINC000002350704 569381285 /nfs/dbraw/zinc/38/12/85/569381285.db2.gz DQYKHTWUDQXBAQ-DNQXCXABSA-N 0 0 413.498 5.712 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1csc(-c2ccccc2)n1 ZINC000002350707 569381340 /nfs/dbraw/zinc/38/13/40/569381340.db2.gz DQYKHTWUDQXBAQ-ZEQRLZLVSA-N 0 0 413.498 5.712 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1csc(-c2ccccc2)n1 ZINC000002350708 569381252 /nfs/dbraw/zinc/38/12/52/569381252.db2.gz DQYKHTWUDQXBAQ-BJKOFHAPSA-N 0 0 413.498 5.712 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)sc1Nc1ccc(F)cc1 ZINC000002350999 557339299 /nfs/dbraw/zinc/33/92/99/557339299.db2.gz ZHGBCUNNJIFNJD-UHFFFAOYSA-N 0 0 416.275 5.078 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccccc1)CCCC2 ZINC000002351029 569381151 /nfs/dbraw/zinc/38/11/51/569381151.db2.gz HMFGEOCRTINJDK-UHFFFAOYSA-N 0 0 418.949 6.127 50 30 HKEARN C=C(C)Cn1c(SCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002351162 569381311 /nfs/dbraw/zinc/38/13/11/569381311.db2.gz QFOQUUPXMLBQKL-UHFFFAOYSA-N 0 0 410.608 6.082 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002351483 569381361 /nfs/dbraw/zinc/38/13/61/569381361.db2.gz LOLKGDPOQFSHNT-UZHBQURLSA-N 0 0 417.937 5.503 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000002352040 569381398 /nfs/dbraw/zinc/38/13/98/569381398.db2.gz VRFQWUJFWUXMCH-LSIOVLHASA-N 0 0 409.555 5.028 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC(Cl)=Cc1ccccc1 ZINC000002353641 557339594 /nfs/dbraw/zinc/33/95/94/557339594.db2.gz FCGHOAVWOZSLJQ-LCMWWGBVSA-N 0 0 409.729 5.654 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000002354614 569385240 /nfs/dbraw/zinc/38/52/40/569385240.db2.gz NMXVGXJUXGIFNT-LSIOVLHASA-N 0 0 405.523 5.457 50 30 HKEARN CCCCc1ccc(/N=C2\c3cc(OCC)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000002354642 569385271 /nfs/dbraw/zinc/38/52/71/569385271.db2.gz DYWZTMPFOYEHTO-SLEBQGDGSA-N 0 0 402.538 6.091 50 30 HKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000002355032 557339788 /nfs/dbraw/zinc/33/97/88/557339788.db2.gz YINASHOGYDPQSI-COOPMVRXSA-N 0 0 408.501 6.450 50 30 HKEARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000002356521 569385392 /nfs/dbraw/zinc/38/53/92/569385392.db2.gz HMEFMNNBIJCPNQ-DEOSSOPVSA-N 0 0 401.487 5.570 50 30 HKEARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000002356523 569385494 /nfs/dbraw/zinc/38/54/94/569385494.db2.gz HMEFMNNBIJCPNQ-XMMPIXPASA-N 0 0 401.487 5.570 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002356534 569385462 /nfs/dbraw/zinc/38/54/62/569385462.db2.gz WFGKCOQIHVVGHA-LFUMJXIHSA-N 0 0 421.953 5.737 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 ZINC000002356839 569385496 /nfs/dbraw/zinc/38/54/96/569385496.db2.gz OXKNAMRICBQTMP-MRXNPFEDSA-N 0 0 404.601 5.339 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 ZINC000002356840 569385473 /nfs/dbraw/zinc/38/54/73/569385473.db2.gz OXKNAMRICBQTMP-INIZCTEOSA-N 0 0 404.601 5.339 50 30 HKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCC1OCCO1 ZINC000002356920 569385486 /nfs/dbraw/zinc/38/54/86/569385486.db2.gz YFKOPUPBYIZCCI-UHFFFAOYSA-N 0 0 412.511 5.343 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002357805 569385451 /nfs/dbraw/zinc/38/54/51/569385451.db2.gz LKQYULGPIDNFCE-JYAWBRCSSA-N 0 0 401.535 5.392 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 ZINC000002357886 569385461 /nfs/dbraw/zinc/38/54/61/569385461.db2.gz JHOVRIZTHAMDIP-UHFFFAOYSA-N 0 0 414.621 5.602 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000002358228 569385569 /nfs/dbraw/zinc/38/55/69/569385569.db2.gz VKDQYIVUOGMKMT-LSIOVLHASA-N 0 0 421.591 5.926 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Cl)cc1Cl ZINC000002358790 557340136 /nfs/dbraw/zinc/34/01/36/557340136.db2.gz NXSJVFVMJVTNOG-IFRROFPPSA-N 0 0 418.136 5.730 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002360001 557340155 /nfs/dbraw/zinc/34/01/55/557340155.db2.gz NCWHXUDDPSZKKP-OEAKJJBVSA-N 0 0 406.898 5.562 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000002360989 569386493 /nfs/dbraw/zinc/38/64/93/569386493.db2.gz WVKUJRXKEZACKK-JYAWBRCSSA-N 0 0 401.535 5.392 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000002361593 569387165 /nfs/dbraw/zinc/38/71/65/569387165.db2.gz NPFPGJSGZBICOF-UHFFFAOYSA-N 0 0 402.498 5.283 50 30 HKEARN C=C(C)Cn1c(SCCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000002361615 569387200 /nfs/dbraw/zinc/38/72/00/569387200.db2.gz BTIYVCGFGNLGRR-UHFFFAOYSA-N 0 0 416.590 5.655 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 ZINC000002362171 569387295 /nfs/dbraw/zinc/38/72/95/569387295.db2.gz AKUSSLSRRUMLIW-QFIPXVFZSA-N 0 0 412.580 5.026 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 ZINC000002362172 569387293 /nfs/dbraw/zinc/38/72/93/569387293.db2.gz AKUSSLSRRUMLIW-JOCHJYFZSA-N 0 0 412.580 5.026 50 30 HKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000002362211 557340778 /nfs/dbraw/zinc/34/07/78/557340778.db2.gz NSNHUPPGPYPGJK-MNAVYHJGSA-N 0 0 414.745 6.304 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000002362214 557340646 /nfs/dbraw/zinc/34/06/46/557340646.db2.gz NSNHUPPGPYPGJK-YYPWLFCJSA-N 0 0 414.745 6.304 50 30 HKEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000002362441 569387335 /nfs/dbraw/zinc/38/73/35/569387335.db2.gz IDKPINSJRMXJME-MSXFZWOLSA-N 0 0 400.405 5.340 50 30 HKEARN O=C(OCC#CCSc1nc2ccccc2o1)c1sc2ccccc2c1Cl ZINC000002364135 569007206 /nfs/dbraw/zinc/00/72/06/569007206.db2.gz YJERXRNRTHIMLZ-UHFFFAOYSA-N 0 0 413.907 5.648 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1C ZINC000002364839 569007183 /nfs/dbraw/zinc/00/71/83/569007183.db2.gz MVBQDGLBMRAAMT-UHFFFAOYSA-N 0 0 406.555 5.096 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000002366707 569388191 /nfs/dbraw/zinc/38/81/91/569388191.db2.gz HZKNRTGHAIPHNI-UHFFFAOYSA-N 0 0 416.525 5.342 50 30 HKEARN C#CCOc1ccc(-c2nnc(Nc3ccc4ccccc4c3)c3ccccc32)cc1 ZINC000002366806 569388143 /nfs/dbraw/zinc/38/81/43/569388143.db2.gz QWWNNYWAKKUSCF-UHFFFAOYSA-N 0 0 401.469 6.206 50 30 HKEARN C#CCOc1ccc(-c2nnc(Nc3ccc(NC(C)=O)cc3)c3ccccc32)cc1 ZINC000002366872 569388172 /nfs/dbraw/zinc/38/81/72/569388172.db2.gz ZJQHUGBCROKPAP-UHFFFAOYSA-N 0 0 408.461 5.011 50 30 HKEARN CCCCCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002366976 569388127 /nfs/dbraw/zinc/38/81/27/569388127.db2.gz JKWRZQRSIIQSTO-UHFFFAOYSA-N 0 0 407.562 5.372 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)o1 ZINC000002367202 569388246 /nfs/dbraw/zinc/38/82/46/569388246.db2.gz YOGUKLIDFSOTRQ-CHHVJCJISA-N 0 0 422.305 5.479 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccs1 ZINC000002367520 569007236 /nfs/dbraw/zinc/00/72/36/569007236.db2.gz KPIQKDFHWBHDEJ-UHFFFAOYSA-N 0 0 412.584 5.221 50 30 HKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002368626 569388497 /nfs/dbraw/zinc/38/84/97/569388497.db2.gz AEAMZGLQLNYHSX-UHFFFAOYSA-N 0 0 424.635 6.113 50 30 HKEARN C=CCSc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002369295 569388614 /nfs/dbraw/zinc/38/86/14/569388614.db2.gz FRQVJKJHWZYPTK-UHFFFAOYSA-N 0 0 414.621 6.113 50 30 HKEARN C=C(C)CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000002369360 569388572 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C=C(C)C(=O)Oc1ccc2ccc3c(c2c1)N=C[C@]1(O3)N(C)c2ccccc2C1(C)C ZINC000002453440 569405649 /nfs/dbraw/zinc/40/56/49/569405649.db2.gz PWMAVCRGVBSWDM-AREMUKBSSA-N 0 0 412.489 5.540 50 30 HKEARN C=C(C)C(=O)Oc1ccc2ccc3c(c2c1)N=C[C@@]1(O3)N(C)c2ccccc2C1(C)C ZINC000002453441 569405624 /nfs/dbraw/zinc/40/56/24/569405624.db2.gz PWMAVCRGVBSWDM-SANMLTNESA-N 0 0 412.489 5.540 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(C)c1 ZINC000002453654 569007438 /nfs/dbraw/zinc/00/74/38/569007438.db2.gz FXSDCGINFVPSNN-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000002453836 569406422 /nfs/dbraw/zinc/40/64/22/569406422.db2.gz NQXCSQFURRTPME-UHFFFAOYSA-N 0 0 406.898 5.052 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(C)cc1 ZINC000002453888 569007330 /nfs/dbraw/zinc/00/73/30/569007330.db2.gz MPKPEBGDMFTNDU-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000002453937 569007345 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O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)Nc1ccc3ccccc3c12 ZINC000002462124 569414177 /nfs/dbraw/zinc/41/41/77/569414177.db2.gz UKMJJHVISSDMTN-LYZGTLIUSA-N 0 0 402.497 6.302 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)Nc1ccc3ccccc3c12 ZINC000002462127 569414151 /nfs/dbraw/zinc/41/41/51/569414151.db2.gz UKMJJHVISSDMTN-KMRXNPHXSA-N 0 0 402.497 6.302 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)Nc1ccc3ccccc3c12 ZINC000002462129 569414184 /nfs/dbraw/zinc/41/41/84/569414184.db2.gz UKMJJHVISSDMTN-PIKZIKFNSA-N 0 0 402.497 6.302 50 30 HKEARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000002478010 557351425 /nfs/dbraw/zinc/35/14/25/557351425.db2.gz BTFXHTMZCYIQQA-MFKUBSTISA-N 0 0 420.465 5.236 50 30 HKEARN N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccccc1F ZINC000002479331 568773541 /nfs/dbraw/zinc/77/35/41/568773541.db2.gz YCAHKKLVLBNAGW-UHFFFAOYSA-N 0 0 408.548 6.842 50 30 HKEARN CC(C)(C)C(=O)CSc1nc(-c2ccccc2)cc(-c2cccc(F)c2)c1C#N ZINC000002479364 568774133 /nfs/dbraw/zinc/77/41/33/568774133.db2.gz LTFNEGWHAYXFQE-UHFFFAOYSA-N 0 0 404.510 6.134 50 30 HKEARN C=CCSc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N ZINC000002479542 569007384 /nfs/dbraw/zinc/00/73/84/569007384.db2.gz BTHUHHALPIBXJG-UHFFFAOYSA-N 0 0 407.336 6.328 50 30 HKEARN N#Cc1c(SCC(=O)c2cccs2)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000002479545 568774151 /nfs/dbraw/zinc/77/41/51/568774151.db2.gz XEKDBFPFXGYIAS-UHFFFAOYSA-N 0 0 412.539 6.324 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000002479551 568774084 /nfs/dbraw/zinc/77/40/84/568774084.db2.gz QVKWNDMUORYXQX-CYBMUJFWSA-N 0 0 412.511 5.532 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000002479556 568774203 /nfs/dbraw/zinc/77/42/03/568774203.db2.gz QVKWNDMUORYXQX-ZDUSSCGKSA-N 0 0 412.511 5.532 50 30 HKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccccc1)CCCC2 ZINC000002479564 568774162 /nfs/dbraw/zinc/77/41/62/568774162.db2.gz MGKDFLMWCLHIRM-UHFFFAOYSA-N 0 0 414.530 5.335 50 30 HKEARN CCCCCCCOc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000002485689 568775024 /nfs/dbraw/zinc/77/50/24/568775024.db2.gz GUEMPGBZYZZWPU-UHFFFAOYSA-N 0 0 415.331 6.515 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c(F)cccc1Cl ZINC000002494668 560779750 /nfs/dbraw/zinc/77/97/50/560779750.db2.gz RKPFBQHTQKRGCA-DEOSSOPVSA-N 0 0 405.900 6.942 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c(F)cccc1Cl ZINC000002494670 560779765 /nfs/dbraw/zinc/77/97/65/560779765.db2.gz RKPFBQHTQKRGCA-XMMPIXPASA-N 0 0 405.900 6.942 50 30 HKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000002501270 557352801 /nfs/dbraw/zinc/35/28/01/557352801.db2.gz IKBABLHPJMLULI-OAQYLSRUSA-N 0 0 424.541 5.438 50 30 HKEARN Cc1noc(C)c1CSc1nc2c(c(-c3ccccc3)c1C#N)C(=O)CC(C)(C)C2 ZINC000002502412 568777228 /nfs/dbraw/zinc/77/72/28/568777228.db2.gz LTZDRSBYMHKPDH-UHFFFAOYSA-N 0 0 417.534 5.673 50 30 HKEARN COc1cc(-c2ccc(/N=C/c3ccccc3)c(OC)c2)ccc1/N=C/c1ccccc1 ZINC000002504793 560807666 /nfs/dbraw/zinc/80/76/66/560807666.db2.gz KYYSHXFJTBPOCB-CZYCKNNWSA-N 0 0 420.512 6.872 50 30 HKEARN N#Cc1c(N)c(C#N)c(-c2ccc(Br)cc2)cc1-c1ccc(Cl)cc1 ZINC000002505856 568909199 /nfs/dbraw/zinc/90/91/99/568909199.db2.gz FVZBEZCHYSWNLB-UHFFFAOYSA-N 0 0 408.686 5.762 50 30 HKEARN Cc1ccccc1[C@@H](C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002507260 557353485 /nfs/dbraw/zinc/35/34/85/557353485.db2.gz NDPBHOYZNNPVBK-DHIUTWEWSA-N 0 0 408.328 6.966 50 30 HKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002508582 568776717 /nfs/dbraw/zinc/77/67/17/568776717.db2.gz WQUMQPICPZBANC-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000002510498 569288353 /nfs/dbraw/zinc/28/83/53/569288353.db2.gz NBSIVVAUZRZADH-UHFFFAOYSA-N 0 0 424.595 5.104 50 30 HKEARN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000002510499 569007513 /nfs/dbraw/zinc/00/75/13/569007513.db2.gz KHZKQMFSLVBTRM-UHFFFAOYSA-N 0 0 424.595 5.104 50 30 HKEARN CC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000002513689 568779047 /nfs/dbraw/zinc/77/90/47/568779047.db2.gz JCYIJPAPNBJPKU-MHWRWJLKSA-N 0 0 416.321 5.248 50 30 HKEARN CCCCc1c(CCCC)c(-c2ccc(C#N)s2)sc1-c1ccc(C#N)s1 ZINC000002518937 568778473 /nfs/dbraw/zinc/77/84/73/568778473.db2.gz NODDFQNNIWUTJH-UHFFFAOYSA-N 0 0 410.633 7.634 50 30 HKEARN C#CC[C@H](OC(=O)c1ccccc1)c1ccccc1[C@H](CC#C)OC(=O)c1ccccc1 ZINC000002519003 559211442 /nfs/dbraw/zinc/21/14/42/559211442.db2.gz OUYOPDUSQOFYON-UIOOFZCWSA-N 0 0 422.480 5.529 50 30 HKEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000002526765 557354639 /nfs/dbraw/zinc/35/46/39/557354639.db2.gz KAATUXNTWXVJKI-CMKODMSKSA-N 0 0 416.304 6.178 50 30 world HKEARN S=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)NC1CCCCC1 ZINC000002531165 557354861 /nfs/dbraw/zinc/35/48/61/557354861.db2.gz SBZBKNGNRBSIKD-OEAKJJBVSA-N 0 0 401.963 5.050 50 30 HKEARN Fc1ccc(NC(=S)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000002531179 557354867 /nfs/dbraw/zinc/35/48/67/557354867.db2.gz XJXDYNVXCKBYPW-ZMOGYAJESA-N 0 0 413.905 5.379 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000002533801 568780966 /nfs/dbraw/zinc/78/09/66/568780966.db2.gz GUDYAIMYEIKNEX-JOCHJYFZSA-N 0 0 419.452 5.068 50 30 HKEARN CCCCCCCC(=O)OCc1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1 ZINC000002534532 557355195 /nfs/dbraw/zinc/35/51/95/557355195.db2.gz MZCYYGXDRXDKMR-UHFFFAOYSA-N 0 0 401.528 6.458 50 30 HKEARN Clc1cccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 ZINC000002539436 559265905 /nfs/dbraw/zinc/26/59/05/559265905.db2.gz IMMCAKJISYGPDQ-UHFFFAOYSA-N 0 0 412.919 7.446 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002542073 557355519 /nfs/dbraw/zinc/35/55/19/557355519.db2.gz JSTGVNQXHXVDMN-JOCHJYFZSA-N 0 0 404.485 5.068 50 30 HKEARN Cc1cccc(NC(=S)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000002542600 557355469 /nfs/dbraw/zinc/35/54/69/557355469.db2.gz LPGXRSLECXQOMK-ZVHZXABRSA-N 0 0 409.942 5.548 50 30 HKEARN Cc1cccc(NC(=S)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000002542631 557355577 /nfs/dbraw/zinc/35/55/77/557355577.db2.gz MHZLFIXCLDXQNA-ZVHZXABRSA-N 0 0 423.925 5.188 50 30 HKEARN Cc1cccc(NC(=S)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 ZINC000002542731 557355499 /nfs/dbraw/zinc/35/54/99/557355499.db2.gz LGUBMUUMNSZVQM-ZVHZXABRSA-N 0 0 409.942 5.548 50 30 HKEARN Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc2)c1 ZINC000002542939 557355697 /nfs/dbraw/zinc/35/56/97/557355697.db2.gz RIOUANIFSYUJMO-ZVHZXABRSA-N 0 0 423.925 5.188 50 30 HKEARN Cc1ccc(COc2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc2)cc1 ZINC000002543006 557355766 /nfs/dbraw/zinc/35/57/66/557355766.db2.gz JZUPNYSITSDODD-ZVHZXABRSA-N 0 0 409.942 5.548 50 30 HKEARN O=C1c2ccccc2C(Nc2cccc(OC(F)(F)C(F)F)c2)=C1c1ccccc1 ZINC000002543387 568781780 /nfs/dbraw/zinc/78/17/80/568781780.db2.gz GYQILAHYEOBXRI-UHFFFAOYSA-N 0 0 413.370 6.100 50 30 HKEARN CC1CC(=O)C(=CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)C1 ZINC000002543451 557722715 /nfs/dbraw/zinc/72/27/15/557722715.db2.gz JMEBGKBLLHYYLK-UHFFFAOYSA-N 0 0 424.806 5.410 50 30 HKEARN O=C1CCCC(=O)C1=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002543452 568781773 /nfs/dbraw/zinc/78/17/73/568781773.db2.gz URRVUNASQKSSRW-UHFFFAOYSA-N 0 0 410.779 5.164 50 30 HKEARN Cc1cccc(NC(=S)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 ZINC000002543814 569288475 /nfs/dbraw/zinc/28/84/75/569288475.db2.gz ZMEULHRBOWKTGX-ZVHZXABRSA-N 0 0 423.925 5.188 50 30 HKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 ZINC000002544541 559279037 /nfs/dbraw/zinc/27/90/37/559279037.db2.gz KHYDIWPIUJFRBA-UHFFFAOYSA-N 0 0 412.580 5.393 50 30 HKEARN C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)c1ccccc1 ZINC000002544630 569009613 /nfs/dbraw/zinc/00/96/13/569009613.db2.gz LUBLJCUSXPRDPX-UHFFFAOYSA-N 0 0 412.946 5.013 50 30 HKEARN C=CCn1c(CSc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000002544639 569009609 /nfs/dbraw/zinc/00/96/09/569009609.db2.gz ZEFMBVDUJJROTQ-UHFFFAOYSA-N 0 0 415.971 5.385 50 30 HKEARN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000002544703 569288439 /nfs/dbraw/zinc/28/84/39/569288439.db2.gz LWBJCMBYRKIYSP-UHFFFAOYSA-N 0 0 424.595 5.104 50 30 HKEARN Cc1ccc(C2=CSC(/N=C/c3ccc4c(c3)OCO4)=NN2c2ccccc2)cc1 ZINC000002546702 557355729 /nfs/dbraw/zinc/35/57/29/557355729.db2.gz OOTJIWXUSFOCRE-AFUMVMLFSA-N 0 0 413.502 5.666 50 30 HKEARN CCCCCCCCCCOc1cc(Br)c(O)cc1Br ZINC000002548325 557356064 /nfs/dbraw/zinc/35/60/64/557356064.db2.gz SSEJKDGLNTZULX-UHFFFAOYSA-N 0 0 408.174 6.437 50 30 HKEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000002549651 557355956 /nfs/dbraw/zinc/35/59/56/557355956.db2.gz KQIRSOZFLOLFJG-UHFFFAOYSA-N 0 0 409.363 5.488 50 30 HKEARN Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002553446 569288423 /nfs/dbraw/zinc/28/84/23/569288423.db2.gz NUWWOSOXVPXCBG-ZVHZXABRSA-N 0 0 423.925 5.188 50 30 HKEARN Fc1ccc(NC(=S)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000002553660 557356091 /nfs/dbraw/zinc/35/60/91/557356091.db2.gz CQGHQQSBECAGBS-ZMOGYAJESA-N 0 0 413.905 5.379 50 30 HKEARN FC(F)(F)/N=C1C(=N\C(F)(F)F)\S/C(=N\c2ccccc2)N\1c1ccccc1 ZINC000002555385 557356290 /nfs/dbraw/zinc/35/62/90/557356290.db2.gz IZFZCMFMJKDHJZ-BANPTERESA-N 0 0 416.350 5.764 50 30 HKEARN O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 ZINC000002556212 557356354 /nfs/dbraw/zinc/35/63/54/557356354.db2.gz YJRRMYRVZIFNMT-BQYQJAHWSA-N 0 0 410.745 6.201 50 30 HKEARN CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Br)cc3)sc2c1 ZINC000002559198 557356386 /nfs/dbraw/zinc/35/63/86/557356386.db2.gz WEXGAOSFINPVRF-MDZDMXLPSA-N 0 0 420.353 5.946 50 30 HKEARN O=C1c2ccccc2C(Nc2ccc(I)cc2)=C1c1ccccc1 ZINC000002561899 560841947 /nfs/dbraw/zinc/84/19/47/560841947.db2.gz OXWACDCWBBOYPG-UHFFFAOYSA-N 0 0 423.253 5.468 50 30 HKEARN O=C1c2ccccc2C(Nc2ccc(Br)cc2)=C1c1ccc2c(c1)OCO2 ZINC000002561907 557356560 /nfs/dbraw/zinc/35/65/60/557356560.db2.gz SGFHMCHEUVHOEV-UHFFFAOYSA-N 0 0 420.262 5.355 50 30 HKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Nc1ccc(Oc2ccccc2)cc1 ZINC000002562174 557356584 /nfs/dbraw/zinc/35/65/84/557356584.db2.gz FVCAQCKXQKTZNO-UHFFFAOYSA-N 0 0 401.281 6.798 50 30 HKEARN CCCCCCCCCCCCc1cc(Br)sc1Br ZINC000002564815 557356907 /nfs/dbraw/zinc/35/69/07/557356907.db2.gz ZIZGNWAMVWNAJT-UHFFFAOYSA-N 0 0 410.259 7.737 50 30 HKEARN O=C(N[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002566284 557356947 /nfs/dbraw/zinc/35/69/47/557356947.db2.gz RYDILFMFMIUVNX-LDJIDFKRSA-N 0 0 404.513 6.018 50 30 HKEARN Cc1ccc(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2)cc1 ZINC000002570721 557357195 /nfs/dbraw/zinc/35/71/95/557357195.db2.gz HHLQNUMOKJRALW-UHFFFAOYSA-N 0 0 411.479 5.453 50 30 HKEARN CC(C)Cc1ccc(/C=N/NC(=N)SCc2ccc(Br)cc2)cc1 ZINC000002571158 568784529 /nfs/dbraw/zinc/78/45/29/568784529.db2.gz CDDHLABWNDQVKP-WSDLNYQXSA-N 0 0 404.377 5.439 50 30 HKEARN COc1ccc(C(=O)/C=C/Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002573065 557357470 /nfs/dbraw/zinc/35/74/70/557357470.db2.gz GEJXSURWPRDZRG-VOTSOKGWSA-N 0 0 406.347 6.222 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1ccc(Cl)cc1Cl ZINC000002576490 568784834 /nfs/dbraw/zinc/78/48/34/568784834.db2.gz LCFFYASLEIWYKN-UHFFFAOYSA-N 0 0 419.358 6.032 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1ccc(Cl)c(Cl)c1 ZINC000002576491 568784719 /nfs/dbraw/zinc/78/47/19/568784719.db2.gz IOPCIJHEODUKCL-UHFFFAOYSA-N 0 0 419.358 6.032 50 30 HKEARN CC(C)(C)c1ccc(CSc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 ZINC000002576492 568784664 /nfs/dbraw/zinc/78/46/64/568784664.db2.gz UXZLVPRETBMTOC-UHFFFAOYSA-N 0 0 406.576 6.023 50 30 HKEARN O=C(O/N=C/c1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc(Cl)cc1 ZINC000002576745 568784774 /nfs/dbraw/zinc/78/47/74/568784774.db2.gz WZLQERPUFVACNE-LPYMAVHISA-N 0 0 418.902 5.864 50 30 HKEARN C=CCOc1nc2c(c(C)nn2-c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000002585266 559181240 /nfs/dbraw/zinc/18/12/40/559181240.db2.gz PPYCQFMUOCDONW-UHFFFAOYSA-N 0 0 400.869 5.486 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000002591907 559280153 /nfs/dbraw/zinc/28/01/53/559280153.db2.gz URAKOQKJCQXFHJ-LICLKQGHSA-N 0 0 405.903 5.450 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000002591908 560670549 /nfs/dbraw/zinc/67/05/49/560670549.db2.gz URAKOQKJCQXFHJ-YVLHZVERSA-N 0 0 405.903 5.450 50 30 HKEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002592109 557358890 /nfs/dbraw/zinc/35/88/90/557358890.db2.gz CRZDVQWNOMNISE-SSDVNMTOSA-N 0 0 405.354 5.720 50 30 HKEARN FC(F)Oc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002597841 571305073 /nfs/dbraw/zinc/30/50/73/571305073.db2.gz MFEKFNDNLBIXPT-ZVBGSRNCSA-N 0 0 424.270 5.620 50 30 HKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002602889 568785363 /nfs/dbraw/zinc/78/53/63/568785363.db2.gz DYZWXCXMSIOUPI-UHFFFAOYSA-N 0 0 419.565 5.567 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCCCC(=O)c1ccc(F)cc1 ZINC000002617107 568785800 /nfs/dbraw/zinc/78/58/00/568785800.db2.gz TYINHCKWKHZZLO-UHFFFAOYSA-N 0 0 419.477 5.668 50 30 HKEARN C=CCn1c(SCC(=O)c2c[nH]c3c2cccc3CC)nnc1-c1occc1C ZINC000002617780 568786058 /nfs/dbraw/zinc/78/60/58/568786058.db2.gz WGBQXHVMFNNZJF-UHFFFAOYSA-N 0 0 406.511 5.051 50 30 HKEARN Cc1sc2nc(SCc3ccc(C#N)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002617953 568785645 /nfs/dbraw/zinc/78/56/45/568785645.db2.gz LLKIAOFMFGVKBN-UHFFFAOYSA-N 0 0 403.532 5.228 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000002618505 568786360 /nfs/dbraw/zinc/78/63/60/568786360.db2.gz DKPVHJHAZVHPBI-UHFFFAOYSA-N 0 0 413.458 5.116 50 30 HKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C ZINC000002618583 568786231 /nfs/dbraw/zinc/78/62/31/568786231.db2.gz QRNGORAMSOQMMC-UHFFFAOYSA-N 0 0 418.522 5.107 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1F ZINC000002619928 560585957 /nfs/dbraw/zinc/58/59/57/560585957.db2.gz YSQJSSKUYSBGGH-UHFFFAOYSA-N 0 0 418.497 5.154 50 30 HKEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002622675 568788195 /nfs/dbraw/zinc/78/81/95/568788195.db2.gz TVSAFIJSBAXCMR-HSZRJFAPSA-N 0 0 405.523 5.155 50 30 HKEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002622676 568788114 /nfs/dbraw/zinc/78/81/14/568788114.db2.gz TVSAFIJSBAXCMR-QHCPKHFHSA-N 0 0 405.523 5.155 50 30 HKEARN C=CCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000002624316 568788799 /nfs/dbraw/zinc/78/87/99/568788799.db2.gz NCXCTJFTSCNEIR-UHFFFAOYSA-N 0 0 408.914 5.241 50 30 HKEARN COc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)cc1OC ZINC000002625040 568788791 /nfs/dbraw/zinc/78/87/91/568788791.db2.gz BWWGIWLQWPDJNV-UHFFFAOYSA-N 0 0 409.445 5.043 50 30 HKEARN Cc1nn(CCC#N)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12 ZINC000002626458 560586195 /nfs/dbraw/zinc/58/61/95/560586195.db2.gz CBWXAMRKEMQHMW-UHFFFAOYSA-N 0 0 412.459 6.387 50 30 HKEARN CCCCCOc1ccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000002630051 560586297 /nfs/dbraw/zinc/58/62/97/560586297.db2.gz UJROSEGHESWEGC-JJIBRWJFSA-N 0 0 421.537 5.293 50 30 HKEARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OC3=CC(=O)CC(C)(C)C3)cc12 ZINC000002631248 568790980 /nfs/dbraw/zinc/79/09/80/568790980.db2.gz MUBRBHLEFFADTH-UHFFFAOYSA-N 0 0 414.914 5.479 50 30 HKEARN C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1 ZINC000002634141 568791458 /nfs/dbraw/zinc/79/14/58/568791458.db2.gz JVAVJIMUCLSUBM-UHFFFAOYSA-N 0 0 409.902 5.127 50 30 HKEARN N#Cc1ccc(CSc2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000002635028 568791918 /nfs/dbraw/zinc/79/19/18/568791918.db2.gz BBUNMNWYJQUCCQ-UHFFFAOYSA-N 0 0 405.573 6.148 50 30 HKEARN C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000002636609 568792429 /nfs/dbraw/zinc/79/24/29/568792429.db2.gz XKIKJMPMJZUYNP-JTQLQIEISA-N 0 0 409.820 5.062 50 30 HKEARN C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000002636610 568792373 /nfs/dbraw/zinc/79/23/73/568792373.db2.gz XKIKJMPMJZUYNP-SNVBAGLBSA-N 0 0 409.820 5.062 50 30 HKEARN Cc1cc(-c2ccc(Cl)cc2)nc2c1c(-c1ccc(F)cc1)c(C#N)c(=O)n2C ZINC000002639179 568793069 /nfs/dbraw/zinc/79/30/69/568793069.db2.gz UFRCLDRBXUJLHT-UHFFFAOYSA-N 0 0 403.844 5.240 50 30 HKEARN C=CCn1c(C)cc(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1C ZINC000002641357 568793897 /nfs/dbraw/zinc/79/38/97/568793897.db2.gz LAJPSHXTWDGUJQ-UHFFFAOYSA-N 0 0 421.353 5.358 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000002641952 568793811 /nfs/dbraw/zinc/79/38/11/568793811.db2.gz BYCYLWNXHDCAQL-UHFFFAOYSA-N 0 0 420.881 5.551 50 30 HKEARN N#CCCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 ZINC000002642821 568794021 /nfs/dbraw/zinc/79/40/21/568794021.db2.gz MSEDEKSHLGGJQY-UHFFFAOYSA-N 0 0 423.592 5.565 50 30 HKEARN CCN1C(=S)N[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C1c1ccc(Cl)cc1 ZINC000002643635 560586925 /nfs/dbraw/zinc/58/69/25/560586925.db2.gz GMYHAEMQKXENDP-GOSISDBHSA-N 0 0 405.350 5.245 50 30 HKEARN CCN1C(=S)N[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C1c1ccc(Cl)cc1 ZINC000002643636 560586927 /nfs/dbraw/zinc/58/69/27/560586927.db2.gz GMYHAEMQKXENDP-SFHVURJKSA-N 0 0 405.350 5.245 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000002644488 568794652 /nfs/dbraw/zinc/79/46/52/568794652.db2.gz ZFNFZMQPQLIAES-UHFFFAOYSA-N 0 0 405.857 5.038 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 ZINC000002646997 568795288 /nfs/dbraw/zinc/79/52/88/568795288.db2.gz NIUFXTDRAKRWCF-UHFFFAOYSA-N 0 0 416.937 5.811 50 30 HKEARN Cc1nn(CCC#N)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000002647785 568795524 /nfs/dbraw/zinc/79/55/24/568795524.db2.gz PXPHQKJDXBNMPQ-UHFFFAOYSA-N 0 0 409.209 5.102 50 30 HKEARN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCC2)cc1 ZINC000002648206 568795520 /nfs/dbraw/zinc/79/55/20/568795520.db2.gz MYHZZJSHYGGVPH-UHFFFAOYSA-N 0 0 416.594 6.522 50 30 HKEARN CCOC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc(C)c1-c1cccs1 ZINC000002648409 568795707 /nfs/dbraw/zinc/79/57/07/568795707.db2.gz IHSMSCUWLLVGHG-UHFFFAOYSA-N 0 0 417.552 5.216 50 30 HKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2c3ccccc3nc(CCC)c2CC)c1C ZINC000002649391 568795932 /nfs/dbraw/zinc/79/59/32/568795932.db2.gz GOZSMWBEJWZCTL-UHFFFAOYSA-N 0 0 418.537 5.394 50 30 HKEARN CCCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002650830 568796340 /nfs/dbraw/zinc/79/63/40/568796340.db2.gz HMQRYZOYQRENBI-UHFFFAOYSA-N 0 0 416.333 6.045 50 30 HKEARN N#Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)c1 ZINC000002652234 568796709 /nfs/dbraw/zinc/79/67/09/568796709.db2.gz VPJZKDDJOGGFRW-UHFFFAOYSA-N 0 0 418.905 6.502 50 30 HKEARN N#Cc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl ZINC000002653343 568797182 /nfs/dbraw/zinc/79/71/82/568797182.db2.gz XBSQFPHDOXCOSW-UHFFFAOYSA-N 0 0 422.712 5.267 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nc2ccccc2s1 ZINC000002655489 568797691 /nfs/dbraw/zinc/79/76/91/568797691.db2.gz GNQKZVFIWGCOAS-UHFFFAOYSA-N 0 0 402.500 5.676 50 30 HKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1ccc(Cl)cc1 ZINC000002658473 568798466 /nfs/dbraw/zinc/79/84/66/568798466.db2.gz XLAMLGJTWWGPNC-UHFFFAOYSA-N 0 0 424.978 6.257 50 30 HKEARN Cc1ccc(C[C@@H]2S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002669210 568800454 /nfs/dbraw/zinc/80/04/54/568800454.db2.gz RQXNBRLBEXWBPL-GFGGGFFZSA-N 0 0 400.547 5.991 50 30 HKEARN CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000002670967 568800441 /nfs/dbraw/zinc/80/04/41/568800441.db2.gz JMRSDYUYGIXEEL-LWROZRRASA-N 0 0 423.582 5.153 50 30 HKEARN Cc1ccc(C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000002671074 557739501 /nfs/dbraw/zinc/73/95/01/557739501.db2.gz SQZLWYCQCMQGPS-KFHWJWAOSA-N 0 0 406.938 6.027 50 30 HKEARN Cc1ccc(C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000002671076 557739518 /nfs/dbraw/zinc/73/95/18/557739518.db2.gz SQZLWYCQCMQGPS-VXJVBQPQSA-N 0 0 406.938 6.027 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(SCc3ccccc3)nc12 ZINC000002675015 557366879 /nfs/dbraw/zinc/36/68/79/557366879.db2.gz GRCQBSQFPGOZQD-AFUMVMLFSA-N 0 0 419.937 5.699 50 30 HKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(OCC)cc1 ZINC000002676884 568800728 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C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000002695010 557741319 /nfs/dbraw/zinc/74/13/19/557741319.db2.gz BKKPKXWASOXSON-UHFFFAOYSA-N 0 0 410.351 5.474 50 30 HKEARN S=C1N=NC(COc2ccccc2)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000002700104 557368694 /nfs/dbraw/zinc/36/86/94/557368694.db2.gz VOLBSECTDPFLDZ-MFKUBSTISA-N 0 0 410.502 5.334 50 30 HKEARN Cc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000002702101 560885249 /nfs/dbraw/zinc/88/52/49/560885249.db2.gz VCTJTPWEVCVOBB-JSTDAOHCSA-N 0 0 409.407 6.383 50 30 biogenic,in-vitro HKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000002705509 557743623 /nfs/dbraw/zinc/74/36/23/557743623.db2.gz SAEGLRAQWVLSKA-QHCPKHFHSA-N 0 0 419.521 5.281 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(Br)s2)cc1 ZINC000002706402 557369314 /nfs/dbraw/zinc/36/93/14/557369314.db2.gz NRCKFGVNJWQTIS-VXLYETTFSA-N 0 0 421.389 5.238 50 30 HKEARN C=CCn1c(COc2cccc3cccnc32)nnc1SC/C=C/c1ccccc1 ZINC000002709026 568453953 /nfs/dbraw/zinc/45/39/53/568453953.db2.gz ZMUMRCCFNTWSEC-DHZHZOJOSA-N 0 0 414.534 5.397 50 30 HKEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714535 557749415 /nfs/dbraw/zinc/74/94/15/557749415.db2.gz CYQAPVJYGCYSPU-UHFFFAOYSA-N 0 0 405.299 5.448 50 30 HKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)c1C ZINC000002725946 568803902 /nfs/dbraw/zinc/80/39/02/568803902.db2.gz GTKSESXMZWQLOT-UHFFFAOYSA-N 0 0 424.570 5.114 50 30 HKEARN COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)cc1OC ZINC000002726296 560587509 /nfs/dbraw/zinc/58/75/09/560587509.db2.gz NVYBNAMTMZHUFQ-UHFFFAOYSA-N 0 0 409.445 5.043 50 30 HKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000002729638 557371432 /nfs/dbraw/zinc/37/14/32/557371432.db2.gz ZKJIQPJSPFGYTE-JTUXUYRKSA-N 0 0 414.530 6.121 50 30 HKEARN Cc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)s1 ZINC000002732165 557754560 /nfs/dbraw/zinc/75/45/60/557754560.db2.gz VMIUDFWTFHBFFL-AWEZNQCLSA-N 0 0 424.835 5.016 50 30 HKEARN Cc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000002732166 557754458 /nfs/dbraw/zinc/75/44/58/557754458.db2.gz VMIUDFWTFHBFFL-CQSZACIVSA-N 0 0 424.835 5.016 50 30 HKEARN CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C)C3)c(C)n1 ZINC000002735248 557755164 /nfs/dbraw/zinc/75/51/64/557755164.db2.gz RDBSRYPAXGMGBN-MMTYYTLLSA-N 0 0 412.603 5.211 50 30 HKEARN CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)c(C)n1 ZINC000002735250 557755168 /nfs/dbraw/zinc/75/51/68/557755168.db2.gz RDBSRYPAXGMGBN-GMJSKMFWSA-N 0 0 412.603 5.211 50 30 HKEARN CCCCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccc(C)cc21 ZINC000002735372 557373872 /nfs/dbraw/zinc/37/38/72/557373872.db2.gz DLZOPDUWQZXYES-UHFFFAOYSA-N 0 0 404.554 6.309 50 30 HKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3C)sc2C1 ZINC000002736441 568804662 /nfs/dbraw/zinc/80/46/62/568804662.db2.gz IYMVNHZABOOWJK-HNNXBMFYSA-N 0 0 416.974 5.894 50 30 HKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(Cl)cc3C)sc2C1 ZINC000002736442 568804660 /nfs/dbraw/zinc/80/46/60/568804660.db2.gz IYMVNHZABOOWJK-OAHLLOKOSA-N 0 0 416.974 5.894 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000002737516 568804706 /nfs/dbraw/zinc/80/47/06/568804706.db2.gz IANPUPPMSFAPCB-HNNXBMFYSA-N 0 0 412.555 5.430 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000002737517 568804610 /nfs/dbraw/zinc/80/46/10/568804610.db2.gz IANPUPPMSFAPCB-OAHLLOKOSA-N 0 0 412.555 5.430 50 30 HKEARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002737880 568804655 /nfs/dbraw/zinc/80/46/55/568804655.db2.gz JYLQERGOJFRNAE-KBPBESRZSA-N 0 0 416.974 5.830 50 30 HKEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002737881 568804643 /nfs/dbraw/zinc/80/46/43/568804643.db2.gz JYLQERGOJFRNAE-KGLIPLIRSA-N 0 0 416.974 5.830 50 30 HKEARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002737882 568804689 /nfs/dbraw/zinc/80/46/89/568804689.db2.gz 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N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCC2 ZINC000002740100 568804684 /nfs/dbraw/zinc/80/46/84/568804684.db2.gz JFUHJWXFZQUAKX-NRFANRHFSA-N 0 0 404.560 5.971 50 30 HKEARN N#Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCC2 ZINC000002740101 568804592 /nfs/dbraw/zinc/80/45/92/568804592.db2.gz JFUHJWXFZQUAKX-OAQYLSRUSA-N 0 0 404.560 5.971 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2C1 ZINC000002740123 568804574 /nfs/dbraw/zinc/80/45/74/568804574.db2.gz RURZGWYAQALKDU-PCLFDXGNSA-N 0 0 420.622 6.936 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2C1 ZINC000002740125 568804634 /nfs/dbraw/zinc/80/46/34/568804634.db2.gz RURZGWYAQALKDU-CBHXRGPZSA-N 0 0 420.622 6.936 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002740360 568805800 /nfs/dbraw/zinc/80/58/00/568805800.db2.gz WOPVJHMGHXVLBN-MZTACXPWSA-N 0 0 423.538 5.721 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 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CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002742381 568805804 /nfs/dbraw/zinc/80/58/04/568805804.db2.gz DFMSRHMLWPXEPW-OAHLLOKOSA-N 0 0 411.527 5.250 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000002742575 557753597 /nfs/dbraw/zinc/75/35/97/557753597.db2.gz WAQRKCMFBXWWFB-NSHDSACASA-N 0 0 411.914 5.614 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000002742576 568805788 /nfs/dbraw/zinc/80/57/88/568805788.db2.gz WAQRKCMFBXWWFB-LLVKDONJSA-N 0 0 411.914 5.614 50 30 HKEARN CCc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 ZINC000002743823 557756567 /nfs/dbraw/zinc/75/65/67/557756567.db2.gz MVMUDYOVHSURKY-CVKSISIWSA-N 0 0 422.981 6.846 50 30 HKEARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(Cl)c3Cl)c2C#N)c1 ZINC000002743892 568805785 /nfs/dbraw/zinc/80/57/85/568805785.db2.gz WDOHTBPZFMKJJS-UHFFFAOYSA-N 0 0 401.318 6.463 50 30 HKEARN Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 ZINC000002744084 557756898 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COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 ZINC000002749407 557757471 /nfs/dbraw/zinc/75/74/71/557757471.db2.gz VKPFTVOMICYJEC-AFUMVMLFSA-N 0 0 424.953 6.292 50 30 HKEARN COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000002749556 557757376 /nfs/dbraw/zinc/75/73/76/557757376.db2.gz DGAOYSGZIWKGQP-AFUMVMLFSA-N 0 0 424.953 6.292 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000002751455 557757829 /nfs/dbraw/zinc/75/78/29/557757829.db2.gz WCFMSLCDPWQYFB-FOKLQQMPSA-N 0 0 411.230 5.853 50 30 HKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000002751685 568806406 /nfs/dbraw/zinc/80/64/06/568806406.db2.gz KKSAICFYOKWPJD-KRWDZBQOSA-N 0 0 410.583 6.202 50 30 HKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000002751686 568806513 /nfs/dbraw/zinc/80/65/13/568806513.db2.gz KKSAICFYOKWPJD-QGZVFWFLSA-N 0 0 410.583 6.202 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000002752256 568806457 /nfs/dbraw/zinc/80/64/57/568806457.db2.gz CIYGSGPRJJWFLV-HNNXBMFYSA-N 0 0 400.975 5.995 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000002752257 568806413 /nfs/dbraw/zinc/80/64/13/568806413.db2.gz CIYGSGPRJJWFLV-OAHLLOKOSA-N 0 0 400.975 5.995 50 30 HKEARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002752439 568806454 /nfs/dbraw/zinc/80/64/54/568806454.db2.gz GCWVGCXSJPMCSG-LBPRGKRZSA-N 0 0 402.947 5.685 50 30 HKEARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002752440 568806427 /nfs/dbraw/zinc/80/64/27/568806427.db2.gz GCWVGCXSJPMCSG-GFCCVEGCSA-N 0 0 402.947 5.685 50 30 HKEARN CC(C)Oc1ccccc1[C@@H]1NC(=O)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000002752635 568806688 /nfs/dbraw/zinc/80/66/88/568806688.db2.gz TTWWOIFMELTSQP-DEOSSOPVSA-N 0 0 412.489 5.122 50 30 HKEARN CC(C)Oc1ccccc1[C@H]1NC(=O)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000002752636 568806782 /nfs/dbraw/zinc/80/67/82/568806782.db2.gz TTWWOIFMELTSQP-XMMPIXPASA-N 0 0 412.489 5.122 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6.169 50 30 HKEARN COc1cc(Cl)c(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1OC ZINC000002823277 557396626 /nfs/dbraw/zinc/39/66/26/557396626.db2.gz CIQCLNBOVJPTFN-NVNXTCNLSA-N 0 0 405.928 5.261 50 30 HKEARN CCN(CC)c1ccc(/C=C2\N=C(SCc3ccccc3Cl)SC2=O)cc1 ZINC000002823332 557396733 /nfs/dbraw/zinc/39/67/33/557396733.db2.gz SYQVKSLIKHZFHG-UYRXBGFRSA-N 0 0 416.999 6.090 50 30 HKEARN CCCOc1ccc2ccccc2c1/C=N/n1c(SC)nnc1-c1ccccc1 ZINC000002823373 557396648 /nfs/dbraw/zinc/39/66/48/557396648.db2.gz FJSFIMCIXGVLPU-LFVJCYFKSA-N 0 0 402.523 5.491 50 30 HKEARN CC(=O)Oc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1Cl ZINC000002824190 557396659 /nfs/dbraw/zinc/39/66/59/557396659.db2.gz MEQQLJRXNYYXHU-YBEGLDIGSA-N 0 0 403.912 5.169 50 30 HKEARN C#CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000002824223 568509872 /nfs/dbraw/zinc/50/98/72/568509872.db2.gz XEKHDZJXFUMXLV-UHFFFAOYSA-N 0 0 412.558 5.301 50 30 HKEARN COc1cc(Cl)cc(/C=C2\N=C(SCc3ccccc3)SC2=O)c1OC ZINC000002824863 557396957 /nfs/dbraw/zinc/39/69/57/557396957.db2.gz GVEIQXWGUQZDNU-DHDCSXOGSA-N 0 0 405.928 5.261 50 30 HKEARN Clc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000002826097 560885577 /nfs/dbraw/zinc/88/55/77/560885577.db2.gz NTUHMYZLXAWDOO-YDZHTSKRSA-N 0 0 400.703 6.432 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000002830168 557397723 /nfs/dbraw/zinc/39/77/23/557397723.db2.gz ZAMPVEWNFOYXNY-ZHZULCJRSA-N 0 0 422.962 6.383 50 30 HKEARN CC(C)(C)c1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000002831649 568812588 /nfs/dbraw/zinc/81/25/88/568812588.db2.gz UJMMRNUVVKNUEV-JOCHJYFZSA-N 0 0 413.473 5.211 50 30 HKEARN CC(C)(C)c1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000002831650 568812698 /nfs/dbraw/zinc/81/26/98/568812698.db2.gz UJMMRNUVVKNUEV-QFIPXVFZSA-N 0 0 413.473 5.211 50 30 HKEARN Cc1cc(-c2ccc(/N=C/c3ccc(O)cc3)c(C)c2)ccc1/N=C/c1ccc(O)cc1 ZINC000002832071 557397918 /nfs/dbraw/zinc/39/79/18/557397918.db2.gz AURJOOXMHJZRBA-YAGSLNJISA-N 0 0 420.512 6.883 50 30 HKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002833780 557398294 /nfs/dbraw/zinc/39/82/94/557398294.db2.gz DCTOTNKBIGMSPP-JCMHNJIXSA-N 0 0 417.555 6.169 50 30 HKEARN CCN(CC)c1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c(OC)c1 ZINC000002833806 557398202 /nfs/dbraw/zinc/39/82/02/557398202.db2.gz UTDXZQPBMJYDRI-UYRXBGFRSA-N 0 0 412.580 5.445 50 30 HKEARN COc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)cc1[N+](=O)[O-] ZINC000002833894 557398227 /nfs/dbraw/zinc/39/82/27/557398227.db2.gz ODQRWIHQDXKIPN-ZSOIEALJSA-N 0 0 420.899 5.161 50 30 HKEARN COc1c(Cl)cc(Cl)cc1/C=C1\N=C(SCc2ccccc2)SC1=O ZINC000002834086 557398205 /nfs/dbraw/zinc/39/82/05/557398205.db2.gz KCZNZNBXRBWXMH-NVNXTCNLSA-N 0 0 410.347 5.906 50 30 HKEARN COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1OC ZINC000002834195 557398307 /nfs/dbraw/zinc/39/83/07/557398307.db2.gz XGCHWYMJHSSVNR-DHDCSXOGSA-N 0 0 405.928 5.261 50 30 HKEARN O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C\c1cccc(Br)c1 ZINC000002834236 557398249 /nfs/dbraw/zinc/39/82/49/557398249.db2.gz INPPSIXBIHRNCY-DHDCSXOGSA-N 0 0 424.772 6.006 50 30 HKEARN CC(=O)Oc1cccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c1Cl ZINC000002835039 557398448 /nfs/dbraw/zinc/39/84/48/557398448.db2.gz DQZYPLDFFMLWQK-GDNBJRDFSA-N 0 0 403.912 5.169 50 30 HKEARN N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 ZINC000002835152 568812515 /nfs/dbraw/zinc/81/25/15/568812515.db2.gz KTUMITRVLDSAGZ-UHFFFAOYSA-N 0 0 419.506 5.852 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1ccc(COc3ccccc3Cl)o1)CCCC2 ZINC000002835616 568812734 /nfs/dbraw/zinc/81/27/34/568812734.db2.gz XRHJVGJXWKJOSH-UHFFFAOYSA-N 0 0 412.898 5.576 50 30 HKEARN N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002836368 568812703 /nfs/dbraw/zinc/81/27/03/568812703.db2.gz RCUVTVCAOHUACR-UHFFFAOYSA-N 0 0 422.513 5.413 50 30 HKEARN C=CCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000002836575 568511294 /nfs/dbraw/zinc/51/12/94/568511294.db2.gz PWUFXPVZHYCQGV-UHFFFAOYSA-N 0 0 418.107 5.468 50 30 HKEARN N#Cc1ccccc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000002836907 568812752 /nfs/dbraw/zinc/81/27/52/568812752.db2.gz GQLFPZLNHLTJFL-UHFFFAOYSA-N 0 0 413.462 5.006 50 30 HKEARN Cc1cc(C)c(OCCNC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 ZINC000002839065 568812695 /nfs/dbraw/zinc/81/26/95/568812695.db2.gz MTQFLMJCTDRCSP-UHFFFAOYSA-N 0 0 416.546 5.444 50 30 HKEARN N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000002841005 568812720 /nfs/dbraw/zinc/81/27/20/568812720.db2.gz JHXFSFMLLFBFCN-UHFFFAOYSA-N 0 0 424.378 5.322 50 30 HKEARN CCOc1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3OCC)cccc12 ZINC000002842639 557401584 /nfs/dbraw/zinc/40/15/84/557401584.db2.gz CHERQTUPBGMYFJ-CZYCKNNWSA-N 0 0 422.528 7.138 50 30 HKEARN Cc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3C)c(C)c2)cc1C ZINC000002842693 557401627 /nfs/dbraw/zinc/40/16/27/557401627.db2.gz BQYYFSFBDLMIOB-GKTLAHRSSA-N 0 0 416.568 8.088 50 30 HKEARN Cc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(C)c4)cc3)cc2)c1 ZINC000002842731 557401657 /nfs/dbraw/zinc/40/16/57/557401657.db2.gz OIVFZSYWJTYCNO-OQIGUVFWSA-N 0 0 402.541 7.395 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccccn3)s2)cc1 ZINC000002843315 557768351 /nfs/dbraw/zinc/76/83/51/557768351.db2.gz RNJBSXXKATXBFT-DHRITJCHSA-N 0 0 404.461 5.821 50 30 HKEARN CN(C)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000002843330 557768572 /nfs/dbraw/zinc/76/85/72/557768572.db2.gz UTBDDGWFNRHYLB-BHGWPJFGSA-N 0 0 409.864 6.299 50 30 HKEARN FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2)sc1-c1ccc(Cl)cc1 ZINC000002843364 557768560 /nfs/dbraw/zinc/76/85/60/557768560.db2.gz OJOLPPQEIRTPIA-NUGSKGIGSA-N 0 0 401.240 6.886 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3C(F)(F)F)C12 ZINC000002843751 557401925 /nfs/dbraw/zinc/40/19/25/557401925.db2.gz JESUIJPKOXUODO-QFIPXVFZSA-N 0 0 409.432 6.572 50 30 aggregator HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3C(F)(F)F)C12 ZINC000002843752 557401897 /nfs/dbraw/zinc/40/18/97/557401897.db2.gz JESUIJPKOXUODO-JOCHJYFZSA-N 0 0 409.432 6.572 50 30 aggregator HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000002843760 568812910 /nfs/dbraw/zinc/81/29/10/568812910.db2.gz XVUYSIVQJFASBY-INIZCTEOSA-N 0 0 402.519 5.576 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000002843761 568812920 /nfs/dbraw/zinc/81/29/20/568812920.db2.gz XVUYSIVQJFASBY-MRXNPFEDSA-N 0 0 402.519 5.576 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000002845312 568812919 /nfs/dbraw/zinc/81/29/19/568812919.db2.gz REVWALWDZWDWSR-NSHDSACASA-N 0 0 407.366 6.330 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000002845313 568812890 /nfs/dbraw/zinc/81/28/90/568812890.db2.gz REVWALWDZWDWSR-LLVKDONJSA-N 0 0 407.366 6.330 50 30 HKEARN Cc1sc2nc(SCc3ccccc3C#N)n(-c3ccccc3)c(=O)c2c1C ZINC000002845498 568812851 /nfs/dbraw/zinc/81/28/51/568812851.db2.gz BYAYCEOOOCJUTK-UHFFFAOYSA-N 0 0 403.532 5.228 50 30 HKEARN C#CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000002845609 568509477 /nfs/dbraw/zinc/50/94/77/568509477.db2.gz OZKWDTJKNKNJRQ-UHFFFAOYSA-N 0 0 415.114 5.389 50 30 HKEARN CCc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2 ZINC000002845619 568812872 /nfs/dbraw/zinc/81/28/72/568812872.db2.gz YHQHCBBWSXVONI-UHFFFAOYSA-N 0 0 412.942 5.299 50 30 HKEARN Cc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1Cl ZINC000002846621 568812861 /nfs/dbraw/zinc/81/28/61/568812861.db2.gz QFDPTPABHGCLOV-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 ZINC000002846669 568510059 /nfs/dbraw/zinc/51/00/59/568510059.db2.gz RDULCRZCAVQTKD-UHFFFAOYSA-N 0 0 419.337 5.169 50 30 HKEARN O=C(ON1C(=O)c2cccc3cccc(c32)C1=O)c1cccc(Oc2ccccc2)c1 ZINC000002848540 568726601 /nfs/dbraw/zinc/72/66/01/568726601.db2.gz GMKZPRROBYLAIE-UHFFFAOYSA-N 0 0 409.397 5.000 50 30 HKEARN CCn1c2ccccc2c2cc(/C=N/c3ccccc3C(=O)Nc3ccccc3)ccc21 ZINC000002848646 557403627 /nfs/dbraw/zinc/40/36/27/557403627.db2.gz YHGYBXMWGQZVHH-VUTHCHCSSA-N 0 0 417.512 6.817 50 30 HKEARN COc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002848689 557403573 /nfs/dbraw/zinc/40/35/73/557403573.db2.gz UUPKNXHCSFTBRQ-JVWAILMASA-N 0 0 408.526 7.184 50 30 HKEARN CCCCCCCCc1nnc(NC(=O)Nc2ccc(Br)cc2)s1 ZINC000002848704 557403532 /nfs/dbraw/zinc/40/35/32/557403532.db2.gz YNYKQCBQENFMLA-UHFFFAOYSA-N 0 0 411.369 5.848 50 30 HKEARN Cc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3C)cc2)cc1 ZINC000002848881 557403482 /nfs/dbraw/zinc/40/34/82/557403482.db2.gz IWPLMUOMCUYAAS-OQIGUVFWSA-N 0 0 402.541 7.395 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(F)cc3)sc2C1 ZINC000002849128 568812935 /nfs/dbraw/zinc/81/29/35/568812935.db2.gz ZIFVUEMHAQAPTL-ZDUSSCGKSA-N 0 0 402.560 5.641 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(F)cc3)sc2C1 ZINC000002849129 568813094 /nfs/dbraw/zinc/81/30/94/568813094.db2.gz ZIFVUEMHAQAPTL-CYBMUJFWSA-N 0 0 402.560 5.641 50 30 HKEARN Cc1ccc(OCCOc2ccccc2/C=N/NC(=S)Nc2ccccc2)cc1C ZINC000002850174 557768502 /nfs/dbraw/zinc/76/85/02/557768502.db2.gz 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ZINC000002860322 568813553 /nfs/dbraw/zinc/81/35/53/568813553.db2.gz RTCRTCHQIIWCMM-UHFFFAOYSA-N 0 0 418.518 5.384 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cc2ccccc2o1 ZINC000002861092 560732246 /nfs/dbraw/zinc/73/22/46/560732246.db2.gz LMGRVDCSUFEYHY-UHFFFAOYSA-N 0 0 422.485 5.056 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002861675 568509745 /nfs/dbraw/zinc/50/97/45/568509745.db2.gz VCQLCQXFTUDWFN-UHFFFAOYSA-N 0 0 424.591 5.115 50 30 HKEARN CCc1c(C#N)c(SCC(=O)c2ccc(C)c(C)c2)nc2c1C(=O)CC(C)(C)C2 ZINC000002862253 568813561 /nfs/dbraw/zinc/81/35/61/568813561.db2.gz LGQBKKSZSFSTND-UHFFFAOYSA-N 0 0 406.551 5.263 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(F)cc1 ZINC000002862808 568509874 /nfs/dbraw/zinc/50/98/74/568509874.db2.gz FBUGFILKEZJDCZ-UHFFFAOYSA-N 0 0 424.545 5.126 50 30 HKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc(F)c2)n1 ZINC000002863351 568813487 /nfs/dbraw/zinc/81/34/87/568813487.db2.gz JGZJEGVCXQRNBT-UHFFFAOYSA-N 0 0 411.424 5.139 50 30 HKEARN COc1ccc(C(=O)CSc2nc(C3CC3)cc(-c3ccccc3)c2C#N)cc1 ZINC000002864103 568813555 /nfs/dbraw/zinc/81/35/55/568813555.db2.gz PQWOFUBKOYVTMD-UHFFFAOYSA-N 0 0 400.503 5.481 50 30 HKEARN O=C(Cc1ccccc1)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002864605 557411663 /nfs/dbraw/zinc/41/16/63/557411663.db2.gz LDBAZQLNJBSMLP-UHFFFAOYSA-N 0 0 411.342 5.750 50 30 HKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCc1ccccc1 ZINC000002865472 557411871 /nfs/dbraw/zinc/41/18/71/557411871.db2.gz XDTFPRFUALJAMK-NRFANRHFSA-N 0 0 423.343 6.529 50 30 HKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCc1ccccc1 ZINC000002865473 557411818 /nfs/dbraw/zinc/41/18/18/557411818.db2.gz XDTFPRFUALJAMK-OAQYLSRUSA-N 0 0 423.343 6.529 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000002865528 568813556 /nfs/dbraw/zinc/81/35/56/568813556.db2.gz ZBTBMHRHGHXBSV-UHFFFAOYSA-N 0 0 402.910 5.752 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1F ZINC000002865827 568509176 /nfs/dbraw/zinc/50/91/76/568509176.db2.gz RONMZDWEOWSRQC-MRXNPFEDSA-N 0 0 424.545 5.515 50 30 HKEARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000002867348 568510830 /nfs/dbraw/zinc/51/08/30/568510830.db2.gz BWAGTGHSGIUGGK-UHFFFAOYSA-N 0 0 407.513 5.557 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3cccs3)nc3ccccc31)CCC2 ZINC000002867456 568813760 /nfs/dbraw/zinc/81/37/60/568813760.db2.gz XBCYFWCHRHRXQJ-UHFFFAOYSA-N 0 0 401.516 5.637 50 30 HKEARN Cc1sc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc32)c(C#N)c1C ZINC000002867884 568813731 /nfs/dbraw/zinc/81/37/31/568813731.db2.gz VASVOYUTTHOFBS-UHFFFAOYSA-N 0 0 411.530 6.321 50 30 HKEARN C=CCOc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002868345 568509213 /nfs/dbraw/zinc/50/92/13/568509213.db2.gz YBQZNPWDYHDXNP-QFIPXVFZSA-N 0 0 417.896 5.755 50 30 HKEARN C=CCOc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000002868346 568509383 /nfs/dbraw/zinc/50/93/83/568509383.db2.gz YBQZNPWDYHDXNP-JOCHJYFZSA-N 0 0 417.896 5.755 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000002869978 557768929 /nfs/dbraw/zinc/76/89/29/557768929.db2.gz MYBGJFMYSGCOOH-LFIBNONCSA-N 0 0 420.317 5.537 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)C3CC3)c2C#N)cc1 ZINC000002870068 568813727 /nfs/dbraw/zinc/81/37/27/568813727.db2.gz DWVOSWVNDLEMEV-UHFFFAOYSA-N 0 0 400.503 5.367 50 30 HKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCc1ccccc1 ZINC000002870440 569278144 /nfs/dbraw/zinc/27/81/44/569278144.db2.gz UYQDBRLHQPQVSD-UHFFFAOYSA-N 0 0 408.523 5.742 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OCC)c(C)c1)Nc1ccccc1-2 ZINC000002874021 568510308 /nfs/dbraw/zinc/51/03/08/568510308.db2.gz WXNRHJIFXBDUNN-FQEVSTJZSA-N 0 0 406.511 5.027 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OCC)c(C)c1)Nc1ccccc1-2 ZINC000002874022 568509178 /nfs/dbraw/zinc/50/91/78/568509178.db2.gz WXNRHJIFXBDUNN-HXUWFJFHSA-N 0 0 406.511 5.027 50 30 HKEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000002876242 568511603 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Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1cc2ccccc2o1 ZINC000002883164 568814125 /nfs/dbraw/zinc/81/41/25/568814125.db2.gz LBBBZDVCTHQFDE-UHFFFAOYSA-N 0 0 413.408 5.257 50 30 HKEARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c(C)c1 ZINC000002883368 568814174 /nfs/dbraw/zinc/81/41/74/568814174.db2.gz GKWCANPIMTZTSK-UHFFFAOYSA-N 0 0 419.843 6.028 50 30 HKEARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C#N)cc1F ZINC000002884604 568814233 /nfs/dbraw/zinc/81/42/33/568814233.db2.gz FECSZAMGVFFWKS-UHFFFAOYSA-N 0 0 413.456 5.115 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)cc1 ZINC000002885039 568814459 /nfs/dbraw/zinc/81/44/59/568814459.db2.gz AGQZWSRJWGTRCB-UHFFFAOYSA-N 0 0 415.468 5.499 50 30 HKEARN Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccc(Br)cc1 ZINC000002885440 557422062 /nfs/dbraw/zinc/42/20/62/557422062.db2.gz VAVSVSHDXLMRMK-SSDVNMTOSA-N 0 0 424.323 5.078 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1 ZINC000002886834 568814305 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50 30 HKEARN Cc1c(/N=C/c2ccc(/C=N/c3cccc([N+](=O)[O-])c3C)cc2)cccc1[N+](=O)[O-] ZINC000002891395 557423796 /nfs/dbraw/zinc/42/37/96/557423796.db2.gz FKKBASWAQRIYPG-RNIAWFEPSA-N 0 0 402.410 5.621 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002892175 568814973 /nfs/dbraw/zinc/81/49/73/568814973.db2.gz YZGDODQKPCONMY-WQRHYEAKSA-N 0 0 415.301 6.145 50 30 HKEARN CC(C)(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002892536 557423772 /nfs/dbraw/zinc/42/37/72/557423772.db2.gz QYQPIQQPMVFXGY-HHHXNRCGSA-N 0 0 409.573 7.447 50 30 HKEARN CC(C)(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002892537 557424093 /nfs/dbraw/zinc/42/40/93/557424093.db2.gz QYQPIQQPMVFXGY-MHZLTWQESA-N 0 0 409.573 7.447 50 30 HKEARN Fc1ccccc1-c1nc2cc(/N=C/C=C/c3cccc(Br)c3)ccc2o1 ZINC000002893058 557770475 /nfs/dbraw/zinc/77/04/75/557770475.db2.gz XMFAPUAFYAJUJQ-MLZQUUFASA-N 0 0 421.269 6.812 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl ZINC000002894178 557424040 /nfs/dbraw/zinc/42/40/40/557424040.db2.gz IFPIPMAIBZBVAI-SFHVURJKSA-N 0 0 408.325 5.305 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002894179 557424051 /nfs/dbraw/zinc/42/40/51/557424051.db2.gz IFPIPMAIBZBVAI-GOSISDBHSA-N 0 0 408.325 5.305 50 30 HKEARN Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)cc4)c(C)c3)cc2C)cc1 ZINC000002894649 557424096 /nfs/dbraw/zinc/42/40/96/557424096.db2.gz NUSUZJDVVCAVSD-GKTLAHRSSA-N 0 0 416.568 8.088 50 30 HKEARN Cc1ccsc1/C=N/c1ccc(Cc2ccc(/N=C/c3sccc3C)cc2)cc1 ZINC000002895012 557424034 /nfs/dbraw/zinc/42/40/34/557424034.db2.gz CGQMKHOIUUDISU-CTVDDJEBSA-N 0 0 414.599 7.518 50 30 HKEARN Cc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C)s4)cc3)cc2)s1 ZINC000002895030 557424058 /nfs/dbraw/zinc/42/40/58/557424058.db2.gz SLYJYAXCJFVISL-CTVDDJEBSA-N 0 0 414.599 7.518 50 30 HKEARN N#Cc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000002895158 557424061 /nfs/dbraw/zinc/42/40/61/557424061.db2.gz 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CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002896375 569322572 /nfs/dbraw/zinc/32/25/72/569322572.db2.gz FWBGZDWZQFRPSB-HSZRJFAPSA-N 0 0 419.496 5.173 50 30 HKEARN Clc1cc(Cl)c(N=NC=CC(Br)c2ccccc2)c(Cl)c1 ZINC000002896739 557424331 /nfs/dbraw/zinc/42/43/31/557424331.db2.gz KUBRODZSJZTFOF-NGYMSCGDSA-N 0 0 404.522 6.481 50 30 HKEARN C(=NNC(=Nc1ccccc1)c1ccccn1)c1c2ccccc2cc2ccccc21 ZINC000002896856 557424348 /nfs/dbraw/zinc/42/43/48/557424348.db2.gz CAYKZBQNUMMFHC-VUTHCHCSSA-N 0 0 400.485 6.281 50 30 HKEARN O=C(Nc1ccc(Cl)cc1)ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002897824 557424277 /nfs/dbraw/zinc/42/42/77/557424277.db2.gz TXWNXGVQGCASJR-UHFFFAOYSA-N 0 0 419.695 6.648 50 30 HKEARN O=C(Nc1cccc(Cl)c1)ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002901196 557424652 /nfs/dbraw/zinc/42/46/52/557424652.db2.gz SDKJLEJJICHMCY-UHFFFAOYSA-N 0 0 419.695 6.648 50 30 HKEARN O=C(Nc1ccccc1Cl)ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002901947 557424905 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/nfs/dbraw/zinc/42/59/62/557425962.db2.gz GQNVPMVDBVCOEH-ZOBKUTJXSA-N 0 0 422.513 5.885 50 30 HKEARN COc1ccc(OC)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000002911152 557426224 /nfs/dbraw/zinc/42/62/24/557426224.db2.gz UJCBRSYDKGNYTG-OGLMXYFKSA-N 0 0 408.457 6.253 50 30 HKEARN C(=N/N=C/c1c2ccccc2cc2ccccc21)\c1c2ccccc2cc2ccccc21 ZINC000002913380 569278416 /nfs/dbraw/zinc/27/84/16/569278416.db2.gz UETMBBRZAPUQKI-GKTLAHRSSA-N 0 0 408.504 7.752 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/[C@H]1CCCC[C@@H]1/N=C/c1c(O)ccc2ccccc21 ZINC000002913651 568816046 /nfs/dbraw/zinc/81/60/46/568816046.db2.gz KNSIKFZDHZYWCT-UVAJWNPWSA-N 0 0 422.528 6.253 50 30 HKEARN C=CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCCCC)nc3O2)cc1 ZINC000002914905 568608565 /nfs/dbraw/zinc/60/85/65/568608565.db2.gz JHQBMRMRQDWAQV-OAQYLSRUSA-N 0 0 420.538 5.499 50 30 HKEARN C=CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SCCCC)nc3O2)cc1 ZINC000002914906 568605330 /nfs/dbraw/zinc/60/53/30/568605330.db2.gz JHQBMRMRQDWAQV-NRFANRHFSA-N 0 0 420.538 5.499 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000002920533 568816870 /nfs/dbraw/zinc/81/68/70/568816870.db2.gz YFKJBINMDNSTAR-NKFKGCMQSA-N 0 0 407.510 5.779 50 30 HKEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000002924726 557772470 /nfs/dbraw/zinc/77/24/70/557772470.db2.gz LNCKOSFAIDYGKI-DEDYPNTBSA-N 0 0 424.283 5.917 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 ZINC000002927123 557427544 /nfs/dbraw/zinc/42/75/44/557427544.db2.gz IBJHZMRRKCXRGM-OFVILXPXSA-N 0 0 415.533 5.310 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000002927126 557427422 /nfs/dbraw/zinc/42/74/22/557427422.db2.gz IBJHZMRRKCXRGM-SQJMNOBHSA-N 0 0 415.533 5.310 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 ZINC000002927129 557427433 /nfs/dbraw/zinc/42/74/33/557427433.db2.gz IBJHZMRRKCXRGM-BWKNWUBXSA-N 0 0 415.533 5.310 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000002927132 557427532 /nfs/dbraw/zinc/42/75/32/557427532.db2.gz IBJHZMRRKCXRGM-PXDATVDWSA-N 0 0 415.533 5.310 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)cc1 ZINC000002929866 568818284 /nfs/dbraw/zinc/81/82/84/568818284.db2.gz QLOZTLUFSQQIFZ-XNIZYCPJSA-N 0 0 417.549 6.744 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000002929994 568818352 /nfs/dbraw/zinc/81/83/52/568818352.db2.gz CHQZGTQUQJTUES-XLNRJJMWSA-N 0 0 411.929 6.424 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000002930551 568818338 /nfs/dbraw/zinc/81/83/38/568818338.db2.gz PZMSYOXJHIVVIF-HKRBAAFQSA-N 0 0 403.522 6.436 50 30 HKEARN CCCCCCCNC(=O)c1cc(Sc2ccc(CC)cc2)nc2ccccc21 ZINC000002941409 568819339 /nfs/dbraw/zinc/81/93/39/568819339.db2.gz FUFFJIPXCYTIKJ-UHFFFAOYSA-N 0 0 406.595 6.649 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(N(CC)CC)cc2)C1=O ZINC000002942741 557429316 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Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)o1 ZINC000002952846 568828876 /nfs/dbraw/zinc/82/88/76/568828876.db2.gz ZAWCJFXQMLRWEF-UHFFFAOYSA-N 0 0 417.317 6.112 50 30 HKEARN C=CCOc1ccc(Br)cc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000002960639 568612537 /nfs/dbraw/zinc/61/25/37/568612537.db2.gz WHJOLRKGMDLUJI-LFIBNONCSA-N 0 0 418.674 5.012 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)SC1=S ZINC000002961492 557773390 /nfs/dbraw/zinc/77/33/90/557773390.db2.gz DUOJXWSYFFRNSC-WQRHYEAKSA-N 0 0 419.930 5.445 50 30 HKEARN CCCCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O ZINC000002962098 568830600 /nfs/dbraw/zinc/83/06/00/568830600.db2.gz BBWDNLARIHDDCZ-UHFFFAOYSA-N 0 0 405.548 5.575 50 30 HKEARN COc1ccc(Cl)cc1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N ZINC000002962434 568830642 /nfs/dbraw/zinc/83/06/42/568830642.db2.gz UCYNATDAAIOFFR-UHFFFAOYSA-N 0 0 418.305 5.492 50 30 HKEARN C=CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002964401 568617088 /nfs/dbraw/zinc/61/70/88/568617088.db2.gz 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409.320 6.353 50 30 HKEARN C#CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000002996277 568613217 /nfs/dbraw/zinc/61/32/17/568613217.db2.gz DQKYCVIALFZICE-RCCKNPSSSA-N 0 0 401.512 5.258 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000002997296 568612102 /nfs/dbraw/zinc/61/21/02/568612102.db2.gz PDHRZDBCSGQHKK-XSFVSMFZSA-N 0 0 411.548 5.052 50 30 HKEARN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000002997412 557438895 /nfs/dbraw/zinc/43/88/95/557438895.db2.gz LDQMIGJINMBEAS-UHFFFAOYSA-N 0 0 414.885 5.041 50 30 HKEARN C#CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000002997710 557438878 /nfs/dbraw/zinc/43/88/78/557438878.db2.gz DAHMDLOTPPKUEZ-UHFFFAOYSA-N 0 0 417.549 5.014 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2 ZINC000002997999 568836140 /nfs/dbraw/zinc/83/61/40/568836140.db2.gz SCNGZBRIEISGJF-UHFFFAOYSA-N 0 0 403.290 5.928 50 30 HKEARN O=C(Nc1ccc(C(F)(F)F)c(OCC(F)(F)C(F)F)c1)c1ccc(F)cc1 ZINC000002998253 557439150 /nfs/dbraw/zinc/43/91/50/557439150.db2.gz QCUZWYLTKYLQLN-UHFFFAOYSA-N 0 0 413.264 5.376 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Cl)c1 ZINC000002998260 557439081 /nfs/dbraw/zinc/43/90/81/557439081.db2.gz JDQHXGFTWKRQGH-UHFFFAOYSA-N 0 0 400.902 5.446 50 30 HKEARN COc1cc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C(C)C ZINC000002998347 568836131 /nfs/dbraw/zinc/83/61/31/568836131.db2.gz QYEZMMPTHGXIAY-UHFFFAOYSA-N 0 0 416.546 6.402 50 30 HKEARN COc1ccc(-c2oc(/N=C/N3CCCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000002998617 557439130 /nfs/dbraw/zinc/43/91/30/557439130.db2.gz UZICFIIAXSIXGR-WPWMEQJKSA-N 0 0 415.493 5.648 50 30 HKEARN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002999058 557439388 /nfs/dbraw/zinc/43/93/88/557439388.db2.gz HKNROVCTQHBSLV-UHFFFAOYSA-N 0 0 404.506 5.099 50 30 HKEARN CCC(=O)Oc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002999077 557439378 /nfs/dbraw/zinc/43/93/78/557439378.db2.gz GANCKFGXBNVLSQ-VWLOTQADSA-N 0 0 413.498 5.869 50 30 HKEARN CCC(=O)Oc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002999078 557439363 /nfs/dbraw/zinc/43/93/63/557439363.db2.gz GANCKFGXBNVLSQ-RUZDIDTESA-N 0 0 413.498 5.869 50 30 HKEARN Cc1ccc(N=C(NN=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)cc1 ZINC000002999949 557439797 /nfs/dbraw/zinc/43/97/97/557439797.db2.gz FOPQUFFHJYTSQK-OEAKJJBVSA-N 0 0 415.478 5.406 50 30 HKEARN C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000003000059 557439739 /nfs/dbraw/zinc/43/97/39/557439739.db2.gz YNIZMHYEKSOINJ-UHFFFAOYSA-N 0 0 404.506 5.099 50 30 HKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000003001424 557780176 /nfs/dbraw/zinc/78/01/76/557780176.db2.gz MZLJGBZTVPWEGI-PPPBCGAESA-N 0 0 421.327 7.834 50 30 HKEARN COc1cc(/C=N/N=C2c3ccccc3-c3ccccc32)cc(Br)c1O ZINC000003001741 557440082 /nfs/dbraw/zinc/44/00/82/557440082.db2.gz FECRIOQXXKSTTQ-FSJBWODESA-N 0 0 407.267 5.015 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000003001803 568612853 /nfs/dbraw/zinc/61/28/53/568612853.db2.gz CPQCFYNBAKTVJI-QGZVFWFLSA-N 0 0 417.321 5.627 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 ZINC000003001804 568603025 /nfs/dbraw/zinc/60/30/25/568603025.db2.gz CPQCFYNBAKTVJI-KRWDZBQOSA-N 0 0 417.321 5.627 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003003796 568836854 /nfs/dbraw/zinc/83/68/54/568836854.db2.gz JVYLSFIWVASUSG-UHFFFAOYSA-N 0 0 420.493 6.861 50 30 HKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cccc(Br)c1 ZINC000003003800 568613025 /nfs/dbraw/zinc/61/30/25/568613025.db2.gz QIINELDFUBICSA-UHFFFAOYSA-N 0 0 404.308 5.325 50 30 HKEARN N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 ZINC000003009600 568837016 /nfs/dbraw/zinc/83/70/16/568837016.db2.gz MKLDCLHSMMTLPU-UHFFFAOYSA-N 0 0 419.436 5.801 50 30 HKEARN CCCCCCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000003010167 568837604 /nfs/dbraw/zinc/83/76/04/568837604.db2.gz FISQQIGATJTRRK-UHFFFAOYSA-N 0 0 412.986 6.740 50 30 HKEARN Cc1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)n(-c2ccccc2)n1C ZINC000003010605 569322790 /nfs/dbraw/zinc/32/27/90/569322790.db2.gz JDXZSBJLUYWVPG-JVWAILMASA-N 0 0 419.569 5.536 50 30 HKEARN O=S(=O)(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000003016802 557783992 /nfs/dbraw/zinc/78/39/92/557783992.db2.gz MOWLIPYDMYGMLB-OEAKJJBVSA-N 0 0 410.882 5.066 50 30 HKEARN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O ZINC000003016903 557441948 /nfs/dbraw/zinc/44/19/48/557441948.db2.gz KSYJBSRTUKCZMC-NMWGTECJSA-N 0 0 419.565 6.678 50 30 HKEARN CCCCCCCCOc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000003024327 557442399 /nfs/dbraw/zinc/44/23/99/557442399.db2.gz IULCROMGPXOVEZ-UHFFFAOYSA-N 0 0 401.506 6.380 50 30 HKEARN C=CCSc1nc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1 ZINC000003024407 557442371 /nfs/dbraw/zinc/44/23/71/557442371.db2.gz PSDYOMYPVMZXMC-LPYMAVHISA-N 0 0 421.503 6.493 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Nc2cccc(Cl)c2)c(NC(C)=O)c1 ZINC000003025378 568841180 /nfs/dbraw/zinc/84/11/80/568841180.db2.gz LUZXRPXCJKESEW-UHFFFAOYSA-N 0 0 401.938 5.742 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000003025694 557782328 /nfs/dbraw/zinc/78/23/28/557782328.db2.gz FVXQYYOPOFCDSO-KUZNRIHWSA-N 0 0 401.447 5.993 50 30 HKEARN Cc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 ZINC000003026844 569322834 /nfs/dbraw/zinc/32/28/34/569322834.db2.gz DPJXPYRLXGWTRM-RDRPBHBLSA-N 0 0 418.496 7.133 50 30 HKEARN O=[N+]([O-])c1ccc(CO/N=C/c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000003028667 568842417 /nfs/dbraw/zinc/84/24/17/568842417.db2.gz MJGYJRNGPAJYPP-LPYMAVHISA-N 0 0 423.450 5.346 50 30 HKEARN CC(C)(C)Sc1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000003028679 568842480 /nfs/dbraw/zinc/84/24/80/568842480.db2.gz WYCOXWPDRXYBCZ-UFFVCSGVSA-N 0 0 413.326 6.343 50 30 HKEARN CC(C)(C)Sc1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000003028683 568842431 /nfs/dbraw/zinc/84/24/31/568842431.db2.gz RLFABYVZOYLBSZ-UFFVCSGVSA-N 0 0 413.326 6.343 50 30 HKEARN COC(=O)c1sccc1-c1ccc(/C=N/OCc2c(Cl)cccc2Cl)o1 ZINC000003028850 557442703 /nfs/dbraw/zinc/44/27/03/557442703.db2.gz MDENLERQLJBEOG-ZVBGSRNCSA-N 0 0 410.278 5.652 50 30 HKEARN N#Cc1c(SCc2ccccc2)nc(-c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000003029395 568843154 /nfs/dbraw/zinc/84/31/54/568843154.db2.gz RMEGUDDBBWNHLX-UHFFFAOYSA-N 0 0 414.921 6.023 50 30 HKEARN N#Cc1c(Sc2ccccc2)nc(-c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000003029398 568843131 /nfs/dbraw/zinc/84/31/31/568843131.db2.gz KEUPGFMTWNKJPS-UHFFFAOYSA-N 0 0 400.894 5.882 50 30 HKEARN Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3sccn23)c(Cl)c1 ZINC000003029485 568843152 /nfs/dbraw/zinc/84/31/52/568843152.db2.gz FKGSSWUXTZESRV-SSDVNMTOSA-N 0 0 402.306 5.920 50 30 HKEARN Clc1cccc(Cl)c1CO/N=C/c1c(-c2ccccc2)nc2sccn12 ZINC000003029502 568843199 /nfs/dbraw/zinc/84/31/99/568843199.db2.gz RQNMCVYIDGRTGL-SSDVNMTOSA-N 0 0 402.306 5.920 50 30 HKEARN CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1cccc(C)c1)c2C ZINC000003033275 568845151 /nfs/dbraw/zinc/84/51/51/568845151.db2.gz BAJWKCQWLSXIAX-UHFFFAOYSA-N 0 0 406.574 5.336 50 30 HKEARN CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccccc1C)c2C ZINC000003033442 568845348 /nfs/dbraw/zinc/84/53/48/568845348.db2.gz PTDDNZGOVRIGLB-UHFFFAOYSA-N 0 0 406.574 5.336 50 30 HKEARN C=CCN1c2cc(C(=O)NC3CCCCCCC3)ccc2Sc2ccccc2C1=O ZINC000003040719 568847815 /nfs/dbraw/zinc/84/78/15/568847815.db2.gz AWELAJPPBQIOFT-UHFFFAOYSA-N 0 0 420.578 5.827 50 30 HKEARN N#Cc1c(Sc2ccccc2)nc(-c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000003041122 568847751 /nfs/dbraw/zinc/84/77/51/568847751.db2.gz XQYUFHOODGQKMV-UHFFFAOYSA-N 0 0 400.894 5.882 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000003043335 557786755 /nfs/dbraw/zinc/78/67/55/557786755.db2.gz IUQWQMPAFAJSNT-XMMPIXPASA-N 0 0 422.355 7.456 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000003043336 557786693 /nfs/dbraw/zinc/78/66/93/557786693.db2.gz IUQWQMPAFAJSNT-DEOSSOPVSA-N 0 0 422.355 7.456 50 30 HKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000003043370 557443014 /nfs/dbraw/zinc/44/30/14/557443014.db2.gz ONYQOBOUKNHWRM-WYMPLXKRSA-N 0 0 405.479 6.034 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)ccc1Cl ZINC000003044571 568848406 /nfs/dbraw/zinc/84/84/06/568848406.db2.gz CHVBGHTWWWKVEP-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN COc1cc(/C=N/c2c(C)cc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000003045821 557442973 /nfs/dbraw/zinc/44/29/73/557442973.db2.gz QUNUXLPLRIYAMT-VULFUBBASA-N 0 0 407.897 6.244 50 30 HKEARN N#CCCc1c(Br)ccc(OCc2ccccc2)c1OCc1ccccc1 ZINC000003046219 557443269 /nfs/dbraw/zinc/44/32/69/557443269.db2.gz QBYDTXBTJQRVSY-UHFFFAOYSA-N 0 0 422.322 6.063 50 30 HKEARN CSc1nc(-c2ccccc2)nc(Sc2cccc(C(F)(F)F)c2)c1C#N ZINC000003046272 568847576 /nfs/dbraw/zinc/84/75/76/568847576.db2.gz XLEIGXCTUVKTKR-UHFFFAOYSA-N 0 0 403.454 5.907 50 30 HKEARN C=C1S/C(=N\c2cc(C)c(C)c(C)c2)N(C(=O)c2c(F)cccc2F)C1(C)C ZINC000003046290 557443219 /nfs/dbraw/zinc/44/32/19/557443219.db2.gz OWXQFHCSSWYJJS-DAFNUICNSA-N 0 0 400.494 6.059 50 30 HKEARN C=CCn1c(SCc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047373 568849202 /nfs/dbraw/zinc/84/92/02/568849202.db2.gz HNSLUYGXTLEGHX-UHFFFAOYSA-N 0 0 416.977 7.349 50 30 HKEARN C#CCn1c(SCc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047376 568849213 /nfs/dbraw/zinc/84/92/13/568849213.db2.gz PPJGMWVUQIBTSS-UHFFFAOYSA-N 0 0 414.961 6.796 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047388 568849205 /nfs/dbraw/zinc/84/92/05/568849205.db2.gz BCUYKINVZDQLPK-UHFFFAOYSA-N 0 0 400.522 6.835 50 30 HKEARN C=CCn1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047407 568849174 /nfs/dbraw/zinc/84/91/74/568849174.db2.gz FOFHUKMCDRDNEP-UHFFFAOYSA-N 0 0 412.558 6.704 50 30 HKEARN C#CCn1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047412 558651864 /nfs/dbraw/zinc/65/18/64/558651864.db2.gz VGACLIREWWYHNA-UHFFFAOYSA-N 0 0 410.542 6.151 50 30 HKEARN C=CCn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047479 558651935 /nfs/dbraw/zinc/65/19/35/558651935.db2.gz AQVZXCXDHQKQNK-UHFFFAOYSA-N 0 0 400.522 6.835 50 30 HKEARN CN(C)/C=C/C(=O)/C=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000003048741 568849575 /nfs/dbraw/zinc/84/95/75/568849575.db2.gz AKGDHHBUYRRFHS-XBLVEGMJSA-N 0 0 419.834 5.355 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Sc2ccc(F)cc2)c(NC(C)=O)c1 ZINC000003048810 568849590 /nfs/dbraw/zinc/84/95/90/568849590.db2.gz MFHJOCMZJWTEKB-UHFFFAOYSA-N 0 0 402.535 5.636 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000003049129 568849809 /nfs/dbraw/zinc/84/98/09/568849809.db2.gz MIKIQUCFQQBRSG-UHFFFAOYSA-N 0 0 418.990 6.150 50 30 HKEARN CCCCC#C[C@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 ZINC000003049344 568849783 /nfs/dbraw/zinc/84/97/83/568849783.db2.gz GHMBABAJTLMUJP-FQEVSTJZSA-N 0 0 410.970 6.119 50 30 HKEARN CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 ZINC000003049346 568849822 /nfs/dbraw/zinc/84/98/22/568849822.db2.gz GHMBABAJTLMUJP-HXUWFJFHSA-N 0 0 410.970 6.119 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000003049805 557443285 /nfs/dbraw/zinc/44/32/85/557443285.db2.gz BJZQCBSUBXTRSC-YSURURNPSA-N 0 0 417.679 6.911 50 30 HKEARN Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)cc(Br)c4O)c3)oc2c1 ZINC000003049895 568850026 /nfs/dbraw/zinc/85/00/26/568850026.db2.gz HDLUVXHFMAGMRX-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc2Sc2ccccc2C1=O ZINC000003050086 568849963 /nfs/dbraw/zinc/84/99/63/568849963.db2.gz MYBIAZVGEXZQHW-QFBILLFUSA-N 0 0 406.551 5.293 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)ccc2Sc2ccccc2C1=O ZINC000003050088 568849986 /nfs/dbraw/zinc/84/99/86/568849986.db2.gz MYBIAZVGEXZQHW-VQIMIIECSA-N 0 0 406.551 5.293 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)ccc2Sc2ccccc2C1=O ZINC000003050089 568849984 /nfs/dbraw/zinc/84/99/84/568849984.db2.gz MYBIAZVGEXZQHW-LPHOPBHVSA-N 0 0 406.551 5.293 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@H]3CCCC[C@H]3C)ccc2Sc2ccccc2C1=O ZINC000003050091 568849991 /nfs/dbraw/zinc/84/99/91/568849991.db2.gz MYBIAZVGEXZQHW-APWZRJJASA-N 0 0 406.551 5.293 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Sc2ccccc2C1=O ZINC000003050093 568850002 /nfs/dbraw/zinc/85/00/02/568850002.db2.gz VAKNLZSRTQOULD-KRWDZBQOSA-N 0 0 414.530 5.475 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Sc2ccccc2C1=O ZINC000003050095 568849956 /nfs/dbraw/zinc/84/99/56/568849956.db2.gz VAKNLZSRTQOULD-QGZVFWFLSA-N 0 0 414.530 5.475 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc2Sc2ccccc2C1=O ZINC000003050262 568849931 /nfs/dbraw/zinc/84/99/31/568849931.db2.gz GXWQLRVXUJNMQV-ABSDTBQOSA-N 0 0 420.578 5.539 50 30 HKEARN CCCCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003050303 568849939 /nfs/dbraw/zinc/84/99/39/568849939.db2.gz PVLDSYYUUDRIJB-OEAKJJBVSA-N 0 0 406.958 5.426 50 30 HKEARN CCCN1CCCc2cc(/C=N/NC(=S)Nc3cccc(Cl)c3C)ccc21 ZINC000003050726 568850896 /nfs/dbraw/zinc/85/08/96/568850896.db2.gz KRJQMVHLCWIWNR-OEAKJJBVSA-N 0 0 400.979 5.132 50 30 HKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1C ZINC000003050832 568850908 /nfs/dbraw/zinc/85/09/08/568850908.db2.gz GHNJMFWBYSTJMR-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1C ZINC000003050836 568850847 /nfs/dbraw/zinc/85/08/47/568850847.db2.gz ANTUSAILGCRPPV-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1c(F)cccc1F ZINC000003051168 568851009 /nfs/dbraw/zinc/85/10/09/568851009.db2.gz OILVRGNFMDTHRL-UHFFFAOYSA-N 0 0 405.187 5.424 50 30 HKEARN CCCN1CCCc2cc(/C=N/NC(=S)Nc3ccc(C)cc3Cl)ccc21 ZINC000003051630 568851273 /nfs/dbraw/zinc/85/12/73/568851273.db2.gz HCFNFAIBUPOIHG-OEAKJJBVSA-N 0 0 400.979 5.132 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000003053492 568851393 /nfs/dbraw/zinc/85/13/93/568851393.db2.gz SHKRYEJRDROLLD-OQKWZONESA-N 0 0 422.481 5.679 50 30 HKEARN C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000003057185 568851878 /nfs/dbraw/zinc/85/18/78/568851878.db2.gz XDXVFUUJWLUKAH-UHFFFAOYSA-N 0 0 418.518 5.304 50 30 HKEARN C=CCN(C(=S)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000003057187 557790401 /nfs/dbraw/zinc/79/04/01/557790401.db2.gz QESNXHGFGVECTJ-UHFFFAOYSA-N 0 0 422.937 5.949 50 30 HKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 ZINC000003060222 568852131 /nfs/dbraw/zinc/85/21/31/568852131.db2.gz USVPBOCUVWUSRG-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN N#C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000003063666 557444485 /nfs/dbraw/zinc/44/44/85/557444485.db2.gz RSJIVQUFCBSBTC-ZETCQYMHSA-N 0 0 414.136 5.671 50 30 HKEARN N#C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000003063668 557444433 /nfs/dbraw/zinc/44/44/33/557444433.db2.gz RSJIVQUFCBSBTC-SSDOTTSWSA-N 0 0 414.136 5.671 50 30 HKEARN FC(F)(F)c1ccc(C(=NCc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003066035 568853437 /nfs/dbraw/zinc/85/34/37/568853437.db2.gz KEILFXINJZFQMW-UHFFFAOYSA-N 0 0 407.357 6.762 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 ZINC000003066534 557794534 /nfs/dbraw/zinc/79/45/34/557794534.db2.gz JKDHYIJDLBLRAW-RDRPBHBLSA-N 0 0 418.496 7.133 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 ZINC000003066607 557794531 /nfs/dbraw/zinc/79/45/31/557794531.db2.gz YMPSEHNLJVRQFU-MZJWZYIUSA-N 0 0 423.343 7.850 50 30 HKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(C)c1Cl ZINC000003066646 568853433 /nfs/dbraw/zinc/85/34/33/568853433.db2.gz PJJXQHJSAZNYAS-OPEKNORGSA-N 0 0 411.288 6.875 50 30 HKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000003067644 557794545 /nfs/dbraw/zinc/79/45/45/557794545.db2.gz GKNXSIGDIVFHIT-JRXOJCEHSA-N 0 0 403.825 6.472 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)nc2c1 ZINC000003068835 557794686 /nfs/dbraw/zinc/79/46/86/557794686.db2.gz SYDGZAWXQDRHLW-CVKSISIWSA-N 0 0 423.428 6.722 50 30 HKEARN CCOC(=O)c1ccccc1-c1csc(NC=NOCc2cccc(Cl)c2)n1 ZINC000003069957 557444720 /nfs/dbraw/zinc/44/47/20/557444720.db2.gz CIHQABSNYUVABR-UHFFFAOYSA-N 0 0 415.902 5.212 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000003073530 568853715 /nfs/dbraw/zinc/85/37/15/568853715.db2.gz FXXVTUCIGJNWGZ-UHFFFAOYSA-N 0 0 408.910 5.172 50 30 HKEARN N#C[C@H]1c2ccccc2N(CC(=O)c2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000003073676 557444928 /nfs/dbraw/zinc/44/49/28/557444928.db2.gz BLQLPHCTLCYWCB-QFIPXVFZSA-N 0 0 401.469 5.586 50 30 HKEARN N#C[C@@H]1c2ccccc2N(CC(=O)c2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000003073677 557444911 /nfs/dbraw/zinc/44/49/11/557444911.db2.gz BLQLPHCTLCYWCB-JOCHJYFZSA-N 0 0 401.469 5.586 50 30 HKEARN CC[C@@]1(C)/C(=N/c2c(C)cccc2C)N=C(SC)N1c1ccc(Cl)c(Cl)c1 ZINC000003075062 558727498 /nfs/dbraw/zinc/72/74/98/558727498.db2.gz FYEOLKZTRKPFRM-GHIWRQRASA-N 0 0 420.409 7.048 50 30 HKEARN CC[C@]1(C)/C(=N/c2c(C)cccc2C)N=C(SC)N1c1ccc(Cl)c(Cl)c1 ZINC000003075064 558728446 /nfs/dbraw/zinc/72/84/46/558728446.db2.gz FYEOLKZTRKPFRM-AZJLSSPBSA-N 0 0 420.409 7.048 50 30 HKEARN COc1ccc(Br)cc1/C=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003077040 568854130 /nfs/dbraw/zinc/85/41/30/568854130.db2.gz KTRGKEMRCIDFMB-LPYMAVHISA-N 0 0 411.255 5.784 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003078796 557445322 /nfs/dbraw/zinc/44/53/22/557445322.db2.gz QJKVFIFWUDURNK-UHFFFAOYSA-N 0 0 419.199 6.444 50 30 HKEARN C=CCNC(=S)Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003078917 558651888 /nfs/dbraw/zinc/65/18/88/558651888.db2.gz FMBGFTVRZRFLPJ-UHFFFAOYSA-N 0 0 420.378 5.989 50 30 HKEARN COc1ccc(-c2cs/c(=N/N=C/c3ccccc3)n2-c2ccccc2)cc1OC ZINC000003079212 557445281 /nfs/dbraw/zinc/44/52/81/557445281.db2.gz BKWJIZQIIWACGV-DSOIMHBNSA-N 0 0 415.518 5.158 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c2c1CCCC2 ZINC000003079466 568853877 /nfs/dbraw/zinc/85/38/77/568853877.db2.gz FVCKERYUQNMIPR-UHFFFAOYSA-N 0 0 418.949 6.127 50 30 HKEARN Fc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 ZINC000003079784 558747467 /nfs/dbraw/zinc/74/74/67/558747467.db2.gz KVXMRULGIMMMOH-STBIYBPSSA-N 0 0 422.459 6.964 50 30 HKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)cc1Br ZINC000003079856 569322898 /nfs/dbraw/zinc/32/28/98/569322898.db2.gz YJBTURJEQLAXIL-ZMOGYAJESA-N 0 0 421.294 6.325 50 30 HKEARN C(=N/c1ccc(-c2nc3ccccc3s2)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000003080530 558747436 /nfs/dbraw/zinc/74/74/36/558747436.db2.gz WTORQFUQVXROHJ-MTDXEUNCSA-N 0 0 420.537 7.293 50 30 HKEARN Clc1ccccc1COc1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000003081477 568854336 /nfs/dbraw/zinc/85/43/36/568854336.db2.gz ICBDEOUTLCICKX-YDZHTSKRSA-N 0 0 400.703 6.432 50 30 HKEARN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000003082069 568854266 /nfs/dbraw/zinc/85/42/66/568854266.db2.gz RAAKVGJWWQFJNS-LPYMAVHISA-N 0 0 411.255 5.687 50 30 HKEARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1 ZINC000003082695 569322886 /nfs/dbraw/zinc/32/28/86/569322886.db2.gz GCVJRWWEGMSAKP-UHFFFAOYSA-N 0 0 409.301 5.545 50 30 HKEARN COc1ccc(N=Cc2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000003082714 558747681 /nfs/dbraw/zinc/74/76/81/558747681.db2.gz WMDIDMARVQIDGI-VUTHCHCSSA-N 0 0 421.496 6.375 50 30 HKEARN Cc1ccc(N=Cc2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000003082716 558747709 /nfs/dbraw/zinc/74/77/09/558747709.db2.gz XJUONHVMLORDBD-VUTHCHCSSA-N 0 0 405.497 6.674 50 30 HKEARN O=C(Oc1ccc(/C=N/c2ccccc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000003082732 558747671 /nfs/dbraw/zinc/74/76/71/558747671.db2.gz FYPQMYHZJXWBCQ-FSJBWODESA-N 0 0 415.232 5.871 50 30 HKEARN CCCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000003082850 569322911 /nfs/dbraw/zinc/32/29/11/569322911.db2.gz UDXITRIOYQOKIH-WPWMEQJKSA-N 0 0 405.469 6.112 50 30 HKEARN C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2cccc3cccnc32)o1 ZINC000003082877 558747719 /nfs/dbraw/zinc/74/77/19/558747719.db2.gz LNOBYJYYKCAIGA-MTDXEUNCSA-N 0 0 406.510 7.397 50 30 HKEARN CCCCCOc1ccc(/N=C/c2ccc(Sc3cccc4cccnc43)o2)cc1 ZINC000003082887 568854293 /nfs/dbraw/zinc/85/42/93/568854293.db2.gz HXDHQVRAVYMMRU-OVVQPSECSA-N 0 0 416.546 7.299 50 30 HKEARN COc1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)cc1Cl ZINC000003082917 569322885 /nfs/dbraw/zinc/32/28/85/569322885.db2.gz LFHKJUYKLKRFOJ-JFLMPSFJSA-N 0 0 412.876 7.061 50 30 HKEARN Cc1cc2nc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)oc2cc1C ZINC000003082937 569322895 /nfs/dbraw/zinc/32/28/95/569322895.db2.gz YXNVHCGREDSAKQ-RPPGKUMJSA-N 0 0 404.897 6.838 50 30 HKEARN Cc1ccc2sc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 ZINC000003083272 558747659 /nfs/dbraw/zinc/74/76/59/558747659.db2.gz YPVSNABBUIPSSP-FSJBWODESA-N 0 0 423.335 6.490 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc4ccccc4cc3O)nc2c1 ZINC000003083638 569322836 /nfs/dbraw/zinc/32/28/36/569322836.db2.gz BZFCADGKUFUXMX-LGJNPRDNSA-N 0 0 414.848 6.463 50 30 HKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(OCc5ccccc5)cc4)cc3)nc21 ZINC000003083674 568854337 /nfs/dbraw/zinc/85/43/37/568854337.db2.gz SKOQBEZUBNLUGE-RDRPBHBLSA-N 0 0 418.496 7.133 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4c5ccccc5cc5ccccc54)c3)nc2c1 ZINC000003084381 557445274 /nfs/dbraw/zinc/44/52/74/557445274.db2.gz NGBVFEVHINOLNK-UXHLAJHPSA-N 0 0 412.492 7.860 50 30 HKEARN Cc1ccc(/N=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(C)c1 ZINC000003084573 568854296 /nfs/dbraw/zinc/85/42/96/568854296.db2.gz DPNMAFUSIMXAQA-YDZHTSKRSA-N 0 0 419.393 5.090 50 30 HKEARN Cc1cc(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(C)c1Cl ZINC000003085008 558747731 /nfs/dbraw/zinc/74/77/31/558747731.db2.gz SZDDPIHIDYFEGJ-OPEKNORGSA-N 0 0 411.288 6.875 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)ccc1Cl ZINC000003085017 558747717 /nfs/dbraw/zinc/74/77/17/558747717.db2.gz BNEGUBYXCOBFHW-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN Cc1cc2nc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000003085027 558747683 /nfs/dbraw/zinc/74/76/83/558747683.db2.gz FRIDZNWSCRRJHD-WYMPLXKRSA-N 0 0 405.841 6.424 50 30 HKEARN Cc1cc2nc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000003085052 558747721 /nfs/dbraw/zinc/74/77/21/558747721.db2.gz LEZQFWCSMDLLBE-WYMPLXKRSA-N 0 0 405.841 6.424 50 30 HKEARN Brc1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000003085668 569322864 /nfs/dbraw/zinc/32/28/64/569322864.db2.gz DQVAUKXELODOPF-PCLIKHOPSA-N 0 0 402.291 7.127 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C\c4ccc(OCc5ccccc5)cc4)c3)nc2c1 ZINC000003085751 568854473 /nfs/dbraw/zinc/85/44/73/568854473.db2.gz HPVLPFINUSPZDI-MIXAMLLLSA-N 0 0 418.496 7.133 50 30 HKEARN Cc1cccc(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000003085798 568854584 /nfs/dbraw/zinc/85/45/84/568854584.db2.gz YHSKCGOZLQYTPU-MWAVMZGNSA-N 0 0 419.524 6.873 50 30 HKEARN Cc1cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(O)c(Br)c1C ZINC000003087354 558748246 /nfs/dbraw/zinc/74/82/46/558748246.db2.gz VYKJZDVRPMGTIY-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(O)c(Br)c1C ZINC000003087381 558748315 /nfs/dbraw/zinc/74/83/15/558748315.db2.gz NALNBUABNXMGDT-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(O)c(Br)c1C ZINC000003087387 568854493 /nfs/dbraw/zinc/85/44/93/568854493.db2.gz KMKRNDVETJLGJC-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1)c1ccccc1 ZINC000003087684 568854588 /nfs/dbraw/zinc/85/45/88/568854588.db2.gz TZCYUUOZXZHMSK-UHFFFAOYSA-N 0 0 402.519 5.604 50 30 HKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000003087835 568854537 /nfs/dbraw/zinc/85/45/37/568854537.db2.gz QTPQGUQEHYEJLU-FSJBWODESA-N 0 0 407.882 6.584 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1C ZINC000003087845 558748237 /nfs/dbraw/zinc/74/82/37/558748237.db2.gz NRRKQMVOHDNJPD-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 ZINC000003087860 558748273 /nfs/dbraw/zinc/74/82/73/558748273.db2.gz ZUURPQYRBCJDCW-JVWAILMASA-N 0 0 412.489 6.330 50 30 HKEARN C(=N/c1ccc2oc(-c3ccccc3)nc2c1)\c1ccc(OCc2ccccc2)cc1 ZINC000003088217 569322877 /nfs/dbraw/zinc/32/28/77/569322877.db2.gz NZNPNLHCDXREDX-MTDXEUNCSA-N 0 0 404.469 6.824 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C ZINC000003088268 558748302 /nfs/dbraw/zinc/74/83/02/558748302.db2.gz GWVAIEVYRZZLBW-YDZHTSKRSA-N 0 0 419.393 5.090 50 30 HKEARN CCc1ccccc1/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003088276 558748313 /nfs/dbraw/zinc/74/83/13/558748313.db2.gz VNPOGFCGTOXJKD-OEAKJJBVSA-N 0 0 419.393 5.035 50 30 HKEARN Cc1ccccc1/N=C/c1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000003088363 569322874 /nfs/dbraw/zinc/32/28/74/569322874.db2.gz DXPPODJMXZUBQP-FCMREFMGSA-N 0 0 420.306 6.127 50 30 HKEARN Cc1ccccc1/N=C/c1c(OC(=O)c2cccc3ccccc32)ccc2ccccc21 ZINC000003088603 558748229 /nfs/dbraw/zinc/74/82/29/558748229.db2.gz KZXLPEZOKLWLBN-NDZAJKAJSA-N 0 0 415.492 7.271 50 30 HKEARN Cc1ccc(/N=C/c2c(OC(=O)c3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000003088606 558748233 /nfs/dbraw/zinc/74/82/33/558748233.db2.gz QKLACEOOJRJQHX-NDZAJKAJSA-N 0 0 415.492 7.271 50 30 HKEARN Cc1ccc(/N=C/c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc32)cc1C ZINC000003088611 569322897 /nfs/dbraw/zinc/32/28/97/569322897.db2.gz CUHAYVYSOFFTQG-JVWAILMASA-N 0 0 424.456 6.335 50 30 HKEARN N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1ccccc1)CCCC2 ZINC000003088890 568854317 /nfs/dbraw/zinc/85/43/17/568854317.db2.gz WOPBXZQXELXZNY-UHFFFAOYSA-N 0 0 408.929 6.584 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000003089355 558747893 /nfs/dbraw/zinc/74/78/93/558747893.db2.gz LGYQGUNLJQZDIA-JVWAILMASA-N 0 0 424.456 6.335 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000003089359 558747906 /nfs/dbraw/zinc/74/79/06/558747906.db2.gz YVTIKSHGSUFBPH-WGOQTCKBSA-N 0 0 410.429 6.026 50 30 HKEARN CCCCCCCCCCOC(=O)Nc1ccc(I)cc1 ZINC000003090178 558748073 /nfs/dbraw/zinc/74/80/73/558748073.db2.gz DCBWSJXAVJAVSE-UHFFFAOYSA-N 0 0 403.304 5.980 50 30 HKEARN [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000003090306 558748067 /nfs/dbraw/zinc/74/80/67/558748067.db2.gz MNDZGAVUDHWPCU-YSURURNPSA-N 0 0 417.679 6.911 50 30 HKEARN O=C(Oc1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl ZINC000003090533 568854743 /nfs/dbraw/zinc/85/47/43/568854743.db2.gz DGAWLGFXRKYQJO-AFUMVMLFSA-N 0 0 418.905 6.433 50 30 HKEARN FC(F)(F)c1ccc(Cl)c(/N=C/C=N/c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003091493 569012692 /nfs/dbraw/zinc/01/26/92/569012692.db2.gz WWKJHJYPKQCIRB-GQBJSJAWSA-N 0 0 413.148 7.136 50 30 HKEARN CCCCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003091899 557445787 /nfs/dbraw/zinc/44/57/87/557445787.db2.gz KDZMDEARBFMVIJ-IBGZPJMESA-N 0 0 415.792 6.425 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003091900 557445782 /nfs/dbraw/zinc/44/57/82/557445782.db2.gz KDZMDEARBFMVIJ-LJQANCHMSA-N 0 0 415.792 6.425 50 30 HKEARN Cc1cc(O)c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C ZINC000003092136 568854676 /nfs/dbraw/zinc/85/46/76/568854676.db2.gz AJODHPWNQVSJIH-WSDLNYQXSA-N 0 0 407.382 5.368 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)oc2c1 ZINC000003092309 568854694 /nfs/dbraw/zinc/85/46/94/568854694.db2.gz UOVLLHDCXSJXET-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] ZINC000003092568 558748446 /nfs/dbraw/zinc/74/84/46/558748446.db2.gz DURDIZMCPWGFEF-JVWAILMASA-N 0 0 423.428 6.153 50 30 HKEARN C=CCc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1OC ZINC000003092574 558748434 /nfs/dbraw/zinc/74/84/34/558748434.db2.gz VVNKCXZQNMBLBD-NDZAJKAJSA-N 0 0 418.496 6.973 50 30 HKEARN COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC ZINC000003093692 557445807 /nfs/dbraw/zinc/44/58/07/557445807.db2.gz RICAIFSPWSBUDV-OGLMXYFKSA-N 0 0 408.457 6.253 50 30 HKEARN Brc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000003094766 558748707 /nfs/dbraw/zinc/74/87/07/558748707.db2.gz AQOLGFCKDHRQNB-LFVJCYFKSA-N 0 0 402.295 6.052 50 30 HKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 ZINC000003095176 558748659 /nfs/dbraw/zinc/74/86/59/558748659.db2.gz VURDBTUYMIIZPM-AFUMVMLFSA-N 0 0 421.905 6.533 50 30 HKEARN COc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003095196 558748336 /nfs/dbraw/zinc/74/83/36/558748336.db2.gz IRLDSZAPTFAZHT-AFUMVMLFSA-N 0 0 421.905 6.533 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC000003095296 569322915 /nfs/dbraw/zinc/32/29/15/569322915.db2.gz LOAZWCATYHLKIJ-BRJLIKDPSA-N 0 0 404.319 6.296 50 30 HKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000003096851 569322861 /nfs/dbraw/zinc/32/28/61/569322861.db2.gz JTTDYQKCXBEYDL-FSJBWODESA-N 0 0 411.686 6.661 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000003097659 568855193 /nfs/dbraw/zinc/85/51/93/568855193.db2.gz MODJKYGOYRIKGZ-STZFKDTASA-N 0 0 420.921 5.811 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000003098443 557446251 /nfs/dbraw/zinc/44/62/51/557446251.db2.gz XNWUDUFTBJZZAQ-IBGZPJMESA-N 0 0 408.325 5.305 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000003098444 557446322 /nfs/dbraw/zinc/44/63/22/557446322.db2.gz XNWUDUFTBJZZAQ-LJQANCHMSA-N 0 0 408.325 5.305 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000003098469 557446240 /nfs/dbraw/zinc/44/62/40/557446240.db2.gz PRDICNPAULXAFH-HXUWFJFHSA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000003098470 557446331 /nfs/dbraw/zinc/44/63/31/557446331.db2.gz PRDICNPAULXAFH-FQEVSTJZSA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000003098471 557446420 /nfs/dbraw/zinc/44/64/20/557446420.db2.gz PLTHYTOAYKNJQL-HXUWFJFHSA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000003098472 557446478 /nfs/dbraw/zinc/44/64/78/557446478.db2.gz PLTHYTOAYKNJQL-FQEVSTJZSA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000003098473 557446423 /nfs/dbraw/zinc/44/64/23/557446423.db2.gz OFTJRWBHSQSGCT-JOCHJYFZSA-N 0 0 407.897 5.051 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000003098474 557446508 /nfs/dbraw/zinc/44/65/08/557446508.db2.gz OFTJRWBHSQSGCT-QFIPXVFZSA-N 0 0 407.897 5.051 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000003099166 557446448 /nfs/dbraw/zinc/44/64/48/557446448.db2.gz KJMGHVJCZAEFNB-JFLMPSFJSA-N 0 0 412.876 7.467 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)oc2c1 ZINC000003101026 568855330 /nfs/dbraw/zinc/85/53/30/568855330.db2.gz NQXNLZQMHMHYQQ-CVKSISIWSA-N 0 0 423.428 6.722 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OC(F)F ZINC000003102299 557446786 /nfs/dbraw/zinc/44/67/86/557446786.db2.gz OTSDKEHLUSHVOQ-UHFFFAOYSA-N 0 0 416.464 5.688 50 30 HKEARN CCCCCCCCOc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1 ZINC000003102903 569323038 /nfs/dbraw/zinc/32/30/38/569323038.db2.gz REWNMFBBZDBBLF-UHFFFAOYSA-N 0 0 405.538 7.247 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 ZINC000003102928 557446658 /nfs/dbraw/zinc/44/66/58/557446658.db2.gz JQRFWCHFWXOMAD-VULFUBBASA-N 0 0 404.897 6.902 50 30 HKEARN Clc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3o2)cc1 ZINC000003102949 569322951 /nfs/dbraw/zinc/32/29/51/569322951.db2.gz XWOFEKBWXWAGGX-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN Clc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)cc1 ZINC000003102971 568855565 /nfs/dbraw/zinc/85/55/65/568855565.db2.gz JHUYMCVQXHFDEA-FSJBWODESA-N 0 0 411.686 6.661 50 30 HKEARN Clc1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)c(Cl)c1 ZINC000003102979 568855546 /nfs/dbraw/zinc/85/55/46/568855546.db2.gz UYMVMOHFOZRLLD-MZJWZYIUSA-N 0 0 417.295 7.705 50 30 HKEARN Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003104432 568855513 /nfs/dbraw/zinc/85/55/13/568855513.db2.gz LZFFUNQYGNCAFG-UHFFFAOYSA-N 0 0 412.436 6.289 50 30 HKEARN Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003104433 568855532 /nfs/dbraw/zinc/85/55/32/568855532.db2.gz HXVHNRBJJPKKSZ-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 ZINC000003104506 568855690 /nfs/dbraw/zinc/85/56/90/568855690.db2.gz GBNJKYWKAVSUFD-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN Cc1ccc(Sc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C#N)cc1 ZINC000003104507 568855696 /nfs/dbraw/zinc/85/56/96/568855696.db2.gz FNTGEUOTJDKKAA-UHFFFAOYSA-N 0 0 412.436 6.289 50 30 HKEARN Cc1ccc(Sc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C#N)cc1 ZINC000003104517 568855729 /nfs/dbraw/zinc/85/57/29/568855729.db2.gz XTKJIKMMDUDWSG-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 ZINC000003104526 568855750 /nfs/dbraw/zinc/85/57/50/568855750.db2.gz DMAFSHZOTKGEDU-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1Sc1cccc(C(F)(F)F)c1 ZINC000003104539 568855688 /nfs/dbraw/zinc/85/56/88/568855688.db2.gz GQULJWLKFFRXJN-UHFFFAOYSA-N 0 0 416.399 6.120 50 30 HKEARN CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000003104574 568855781 /nfs/dbraw/zinc/85/57/81/568855781.db2.gz RJCFAHYCCYWBIV-UHFFFAOYSA-N 0 0 408.910 5.743 50 30 HKEARN CCOC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000003104587 568855744 /nfs/dbraw/zinc/85/57/44/568855744.db2.gz SBVOTFBKOXBUDX-UHFFFAOYSA-N 0 0 412.367 5.608 50 30 HKEARN CCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000003104589 568855706 /nfs/dbraw/zinc/85/57/06/568855706.db2.gz XXFXMJLZBCCLRG-UHFFFAOYSA-N 0 0 413.260 5.896 50 30 HKEARN CCOC(=O)c1cc(C#N)c(Oc2cccc(Cl)c2Cl)nc1-c1ccccc1 ZINC000003104591 568855709 /nfs/dbraw/zinc/85/57/09/568855709.db2.gz BNANCJYCEWFLQT-UHFFFAOYSA-N 0 0 413.260 5.896 50 30 HKEARN Clc1ccc(Sc2ncccc2/C=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000003105148 568855697 /nfs/dbraw/zinc/85/56/97/568855697.db2.gz NBPMEJCDEHRSFF-BHGWPJFGSA-N 0 0 423.752 6.744 50 30 HKEARN Clc1ccc(Sc2ncccc2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000003105152 568855738 /nfs/dbraw/zinc/85/57/38/568855738.db2.gz FIXWSJFZSUDLOK-BHGWPJFGSA-N 0 0 423.752 6.744 50 30 HKEARN Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2Cl)c(Cl)c1 ZINC000003105188 568855683 /nfs/dbraw/zinc/85/56/83/568855683.db2.gz SKFZLOJSGQYWSD-BHGWPJFGSA-N 0 0 423.752 6.744 50 30 HKEARN CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N ZINC000003105309 568855675 /nfs/dbraw/zinc/85/56/75/568855675.db2.gz KHEFFNRAPMSKHX-UHFFFAOYSA-N 0 0 401.318 5.464 50 30 HKEARN CSc1cc(-c2ccccc2)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N ZINC000003105311 568855711 /nfs/dbraw/zinc/85/57/11/568855711.db2.gz ZERZMTNUZMZWJV-UHFFFAOYSA-N 0 0 401.318 5.464 50 30 HKEARN CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2Cl)c(=O)c1C#N ZINC000003105312 568855668 /nfs/dbraw/zinc/85/56/68/568855668.db2.gz AWRHBIJUBLUIGV-UHFFFAOYSA-N 0 0 401.318 5.464 50 30 HKEARN CSc1cc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1C#N ZINC000003105315 568855662 /nfs/dbraw/zinc/85/56/62/568855662.db2.gz HFBHKXZNPYERGM-UHFFFAOYSA-N 0 0 400.425 5.176 50 30 HKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N ZINC000003105320 568855723 /nfs/dbraw/zinc/85/57/23/568855723.db2.gz PRHVROALAANMDV-UHFFFAOYSA-N 0 0 401.318 5.464 50 30 HKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2cccc(Cl)c2)c(=O)c1C#N ZINC000003105323 568855741 /nfs/dbraw/zinc/85/57/41/568855741.db2.gz VLOPDVDUXUKWLW-UHFFFAOYSA-N 0 0 401.318 5.464 50 30 HKEARN FC(F)(F)c1cnc(/C=N/OCc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000003106009 568855870 /nfs/dbraw/zinc/85/58/70/568855870.db2.gz NMWSJSGJWQVXIM-VVAXDPKNSA-N 0 0 418.124 5.372 50 30 HKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000003108130 568855907 /nfs/dbraw/zinc/85/59/07/568855907.db2.gz MKBHGPJAVXCTNW-UHFFFAOYSA-N 0 0 417.549 6.879 50 30 HKEARN CCCCCCCCCc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000003108282 568855904 /nfs/dbraw/zinc/85/59/04/568855904.db2.gz BMJQJLHBMGIVEL-UHFFFAOYSA-N 0 0 406.522 6.614 50 30 HKEARN CCCC1CCC(c2ccc(C#Cc3ccc(OC(F)(F)Cl)c(F)c3)cc2)CC1 ZINC000003108560 568855862 /nfs/dbraw/zinc/85/58/62/568855862.db2.gz FVCMMNJEFCEBOL-UHFFFAOYSA-N 0 0 420.902 7.467 50 30 HKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000003108862 558749585 /nfs/dbraw/zinc/74/95/85/558749585.db2.gz IZADOVWBOSEEHP-DHRITJCHSA-N 0 0 410.304 6.618 50 30 HKEARN O=C(OC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000003110416 569322990 /nfs/dbraw/zinc/32/29/90/569322990.db2.gz WEHJUHBPVVCEFC-UHFFFAOYSA-N 0 0 405.247 5.371 50 30 HKEARN COc1ccc(C(=O)[C@@H]2O[C@@H]2c2cc3ccccc3o2)c(OCc2ccccc2)c1 ZINC000003111525 568856354 /nfs/dbraw/zinc/85/63/54/568856354.db2.gz HBUYEUNQHMZBGK-RPBOFIJWSA-N 0 0 400.430 5.343 50 30 HKEARN COc1ccc(C(=O)[C@H]2O[C@@H]2c2cc3ccccc3o2)c(OCc2ccccc2)c1 ZINC000003111526 568856409 /nfs/dbraw/zinc/85/64/09/568856409.db2.gz HBUYEUNQHMZBGK-JWQCQUIFSA-N 0 0 400.430 5.343 50 30 HKEARN COc1ccc(C(=O)[C@@H]2O[C@H]2c2cc3ccccc3o2)c(OCc2ccccc2)c1 ZINC000003111527 568856416 /nfs/dbraw/zinc/85/64/16/568856416.db2.gz HBUYEUNQHMZBGK-DQEYMECFSA-N 0 0 400.430 5.343 50 30 HKEARN COc1ccc(C(=O)[C@H]2O[C@H]2c2cc3ccccc3o2)c(OCc2ccccc2)c1 ZINC000003111528 568856320 /nfs/dbraw/zinc/85/63/20/568856320.db2.gz HBUYEUNQHMZBGK-LOSJGSFVSA-N 0 0 400.430 5.343 50 30 HKEARN COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2cc3ccccc3o2)c1 ZINC000003111529 568856307 /nfs/dbraw/zinc/85/63/07/568856307.db2.gz AYYGMWCLPFVXNW-JWQCQUIFSA-N 0 0 400.430 5.343 50 30 biogenic HKEARN COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2cc3ccccc3o2)c1 ZINC000003111530 568856268 /nfs/dbraw/zinc/85/62/68/568856268.db2.gz AYYGMWCLPFVXNW-DQEYMECFSA-N 0 0 400.430 5.343 50 30 biogenic HKEARN COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2cc3ccccc3o2)c1 ZINC000003111531 568856399 /nfs/dbraw/zinc/85/63/99/568856399.db2.gz AYYGMWCLPFVXNW-LOSJGSFVSA-N 0 0 400.430 5.343 50 30 biogenic HKEARN Clc1cccc(Cl)c1/C=N/c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000003111990 559052729 /nfs/dbraw/zinc/05/27/29/559052729.db2.gz AMJZHVOAPBGFGN-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000003112012 557447694 /nfs/dbraw/zinc/44/76/94/557447694.db2.gz SLIKSFJADMFLHH-LPYMAVHISA-N 0 0 423.381 5.063 50 30 HKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccccc2)cc1 ZINC000003112409 559056958 /nfs/dbraw/zinc/05/69/58/559056958.db2.gz CICASOKQZHYATO-GORFKQKZSA-N 0 0 406.279 5.819 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000003112519 559059591 /nfs/dbraw/zinc/05/95/91/559059591.db2.gz YZNBIJUGTADXDA-ZVHZXABRSA-N 0 0 408.295 6.036 50 30 HKEARN COC(=O)c1ccc(/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000003112588 559118226 /nfs/dbraw/zinc/11/82/26/559118226.db2.gz HEBXBGVREZLFKN-OGLMXYFKSA-N 0 0 423.468 5.905 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 ZINC000003112634 559127089 /nfs/dbraw/zinc/12/70/89/559127089.db2.gz KGXVLMMUDSDCIB-ZVHZXABRSA-N 0 0 408.295 6.036 50 30 HKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)nc2c1 ZINC000003113039 568856255 /nfs/dbraw/zinc/85/62/55/568856255.db2.gz AONXQQKKANRRAL-YDZHTSKRSA-N 0 0 407.336 6.785 50 30 HKEARN Fc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)c1 ZINC000003113111 569323034 /nfs/dbraw/zinc/32/30/34/569323034.db2.gz LNGHUIHMLWRICV-OCSSWDANSA-N 0 0 416.455 7.691 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000003113133 569323026 /nfs/dbraw/zinc/32/30/26/569323026.db2.gz SJNQVQVIHRULNH-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN COc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O ZINC000003113141 569322996 /nfs/dbraw/zinc/32/29/96/569322996.db2.gz GKCMZBYPWCMTRF-BHGWPJFGSA-N 0 0 413.260 6.266 50 30 HKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000003113165 559179163 /nfs/dbraw/zinc/17/91/63/559179163.db2.gz DSLKJZVUZOPRDE-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN Cc1cc(O)cc(O)c1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003113178 568856412 /nfs/dbraw/zinc/85/64/12/568856412.db2.gz BLDOPJLCYWWTOD-YSURURNPSA-N 0 0 413.260 6.272 50 30 HKEARN Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000003113180 559179245 /nfs/dbraw/zinc/17/92/45/559179245.db2.gz LTIXIMAXTSDWBJ-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003113198 559179404 /nfs/dbraw/zinc/17/94/04/559179404.db2.gz IZTTYWCODSIFHI-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN COC(=O)c1ccc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000003113217 559187311 /nfs/dbraw/zinc/18/73/11/559187311.db2.gz GUCMRIPATMWUIR-DHRITJCHSA-N 0 0 404.853 5.994 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000003113246 559187443 /nfs/dbraw/zinc/18/74/43/559187443.db2.gz GYDMPBOBSDCFRY-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccccc1-c1nc2cc(/N=C/c3c4ccccc4cc4ccccc43)ccc2o1 ZINC000003113274 559188115 /nfs/dbraw/zinc/18/81/15/559188115.db2.gz YFNIXIAYOBFHBR-UXHLAJHPSA-N 0 0 412.492 7.860 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000003113637 559251590 /nfs/dbraw/zinc/25/15/90/559251590.db2.gz WAXMEEDDEPKJEX-WYMPLXKRSA-N 0 0 405.841 6.424 50 30 HKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000003113716 559251618 /nfs/dbraw/zinc/25/16/18/559251618.db2.gz GUSXKFZYGABWSG-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN COc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O ZINC000003113736 568856342 /nfs/dbraw/zinc/85/63/42/568856342.db2.gz UHCCDYWHVNNGSR-BHGWPJFGSA-N 0 0 413.260 6.266 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000003113755 559253508 /nfs/dbraw/zinc/25/35/08/559253508.db2.gz RNFJCLCKOHPZOG-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000003113760 559253984 /nfs/dbraw/zinc/25/39/84/559253984.db2.gz LIJOWLOEWRWNSF-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000003113775 559260085 /nfs/dbraw/zinc/26/00/85/559260085.db2.gz WOEONFWFKSIFFJ-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003113777 569322962 /nfs/dbraw/zinc/32/29/62/569322962.db2.gz QTKSGBSTEIZVAS-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1Cl ZINC000003113913 569322980 /nfs/dbraw/zinc/32/29/80/569322980.db2.gz JPONCULIRCCCEW-OPEKNORGSA-N 0 0 415.251 6.700 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003113943 569322956 /nfs/dbraw/zinc/32/29/56/569322956.db2.gz KKCUNGAOSRPGFA-YSURURNPSA-N 0 0 401.224 6.397 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1 ZINC000003114031 568856249 /nfs/dbraw/zinc/85/62/49/568856249.db2.gz FEQWDXDHTYQMDN-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1C ZINC000003114061 568856286 /nfs/dbraw/zinc/85/62/86/568856286.db2.gz FCNKEERIDWICJB-ZMOGYAJESA-N 0 0 405.295 6.625 50 30 HKEARN Cc1cccc2oc(-c3ccc(/N=C/c4c5ccccc5cc5ccccc54)cc3)nc21 ZINC000003114082 568856376 /nfs/dbraw/zinc/85/63/76/568856376.db2.gz QWQDAKXHEJFSLM-UXHLAJHPSA-N 0 0 412.492 7.860 50 30 HKEARN Cc1cccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc21 ZINC000003114104 568856258 /nfs/dbraw/zinc/85/62/58/568856258.db2.gz JQGBGXAUWHGOHH-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1cccc2oc(-c3cccc(/N=C/c4c5ccccc5cc5ccccc54)c3)nc21 ZINC000003114289 569322955 /nfs/dbraw/zinc/32/29/55/569322955.db2.gz VSCCIZIUGWFQCY-UXHLAJHPSA-N 0 0 412.492 7.860 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000003114629 568856279 /nfs/dbraw/zinc/85/62/79/568856279.db2.gz FQOOGKGLKOVKSC-FOKLQQMPSA-N 0 0 408.255 5.417 50 30 HKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000003114631 569323010 /nfs/dbraw/zinc/32/30/10/569323010.db2.gz ZVBCJOVFJQDJOR-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN COc1ccc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)cc1Br ZINC000003115315 568856336 /nfs/dbraw/zinc/85/63/36/568856336.db2.gz ASDVZQJVPALMEL-ZMOGYAJESA-N 0 0 421.294 6.325 50 30 HKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000003115317 568417263 /nfs/dbraw/zinc/41/72/63/568417263.db2.gz AAFWLIJEPJPWLF-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(O)c1 ZINC000003116189 560571860 /nfs/dbraw/zinc/57/18/60/560571860.db2.gz MWZGCYZSSQXMSM-YDZHTSKRSA-N 0 0 410.267 5.433 50 30 HKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1 ZINC000003116231 568856497 /nfs/dbraw/zinc/85/64/97/568856497.db2.gz BSDSWQQBTIMUTQ-AFUMVMLFSA-N 0 0 409.401 6.012 50 30 HKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 ZINC000003116998 568856587 /nfs/dbraw/zinc/85/65/87/568856587.db2.gz IJUGLVFLRALLNB-UHFFFAOYSA-N 0 0 415.236 5.214 50 30 HKEARN N#C[C@H](c1ccc(Sc2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl ZINC000003117028 568856585 /nfs/dbraw/zinc/85/65/85/568856585.db2.gz WXCIQILFGVFRPM-HNNXBMFYSA-N 0 0 406.725 6.243 50 30 HKEARN N#C[C@@H](c1ccc(Sc2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl ZINC000003117029 568856457 /nfs/dbraw/zinc/85/64/57/568856457.db2.gz WXCIQILFGVFRPM-OAHLLOKOSA-N 0 0 406.725 6.243 50 30 HKEARN Fc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 ZINC000003117083 560627009 /nfs/dbraw/zinc/62/70/09/560627009.db2.gz YBIXVBMZCONFBF-STBIYBPSSA-N 0 0 422.459 6.964 50 30 HKEARN Cc1ccccc1-c1nc2cc(/N=C/c3ccc(OCc4ccccc4)cc3)ccc2o1 ZINC000003117108 569323015 /nfs/dbraw/zinc/32/30/15/569323015.db2.gz YJSOIHLKADGOKS-RDRPBHBLSA-N 0 0 418.496 7.133 50 30 HKEARN C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000003117121 560626981 /nfs/dbraw/zinc/62/69/81/560626981.db2.gz AXQVHAVZKDANMC-MTDXEUNCSA-N 0 0 404.469 6.824 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccs4)s3)sc2C1 ZINC000003117229 557447792 /nfs/dbraw/zinc/44/77/92/557447792.db2.gz LXOBOGJXJLGNRK-KIQCMGJBSA-N 0 0 410.633 7.311 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccs4)s3)sc2C1 ZINC000003117231 557447735 /nfs/dbraw/zinc/44/77/35/557447735.db2.gz LXOBOGJXJLGNRK-FIKYGGOLSA-N 0 0 410.633 7.311 50 30 HKEARN O=C(Oc1ccccc1/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000003117321 560626245 /nfs/dbraw/zinc/62/62/45/560626245.db2.gz MMHSUMVMGLBPCD-WYMPLXKRSA-N 0 0 404.680 6.617 50 30 HKEARN Cc1cccc(C)c1OP(=O)(N=NCc1ccccc1O)Oc1c(C)cccc1C ZINC000003117415 557447724 /nfs/dbraw/zinc/44/77/24/557447724.db2.gz VVNUDNGIMWDFPP-BUVRLJJBSA-N 0 0 424.437 5.815 50 30 HKEARN N#Cc1c(-c2ccccc2F)cc(-c2ccccc2)nc1SCc1ccc(F)cc1 ZINC000003117487 560626569 /nfs/dbraw/zinc/62/65/69/560626569.db2.gz HHWRDSVUOIORKN-UHFFFAOYSA-N 0 0 414.480 6.858 50 30 HKEARN CC(C)(C)C(=O)CSc1nc(-c2ccccc2Cl)cc(-c2ccccc2)c1C#N ZINC000003117492 568856158 /nfs/dbraw/zinc/85/61/58/568856158.db2.gz SXSMRJCLCRKKCX-UHFFFAOYSA-N 0 0 420.965 6.648 50 30 HKEARN COc1ccc(CSc2nsc(SCc3ccc(OC)cc3)c2C#N)cc1 ZINC000003117511 568856190 /nfs/dbraw/zinc/85/61/90/568856190.db2.gz SDSBMKYDIOBXAF-UHFFFAOYSA-N 0 0 414.577 5.617 50 30 HKEARN N#Cc1c(/N=C/c2c(F)cccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003117628 560626602 /nfs/dbraw/zinc/62/66/02/560626602.db2.gz UJWNUNVBRCJEDN-RWPZCVJISA-N 0 0 400.840 7.028 50 30 HKEARN N#Cc1c(/N=C/c2ccc(Cl)cc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003117651 557447691 /nfs/dbraw/zinc/44/76/91/557447691.db2.gz JDNCXPSGAJRRHS-RWPZCVJISA-N 0 0 417.295 7.543 50 30 HKEARN COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(OC)c1 ZINC000003117872 557447676 /nfs/dbraw/zinc/44/76/76/557447676.db2.gz LTOINMWKMOWXMD-OGLMXYFKSA-N 0 0 408.457 6.253 50 30 HKEARN CCCCCCCC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003118657 557448001 /nfs/dbraw/zinc/44/80/01/557448001.db2.gz DENFJTUEWCQQIN-HNNXBMFYSA-N 0 0 410.729 5.180 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003118658 557448012 /nfs/dbraw/zinc/44/80/12/557448012.db2.gz DENFJTUEWCQQIN-OAHLLOKOSA-N 0 0 410.729 5.180 50 30 HKEARN CCCCCCCC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003118665 557447924 /nfs/dbraw/zinc/44/79/24/557447924.db2.gz WBKQSGHTLWEOCW-OAHLLOKOSA-N 0 0 411.713 5.147 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003118666 557447979 /nfs/dbraw/zinc/44/79/79/557447979.db2.gz WBKQSGHTLWEOCW-HNNXBMFYSA-N 0 0 411.713 5.147 50 30 HKEARN CCCSc1sc(C(=O)OCC)c(-c2ccc(OC(F)(F)F)cc2)c1C#N ZINC000003119140 568856092 /nfs/dbraw/zinc/85/60/92/568856092.db2.gz BKZJUXSKEVJZSH-UHFFFAOYSA-N 0 0 415.458 5.864 50 30 HKEARN FC(F)(F)c1cc(/N=C/c2ccc(-c3cccs3)s2)cc(C(F)(F)F)c1 ZINC000003119769 557448064 /nfs/dbraw/zinc/44/80/64/557448064.db2.gz IVFICHFFPIFXNI-PGGKNCGUSA-N 0 0 405.388 7.265 50 30 HKEARN FC(F)(F)Oc1ccccc1/C=N/OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000003119775 557448024 /nfs/dbraw/zinc/44/80/24/557448024.db2.gz FAXJAOGCBOPCMT-NUGSKGIGSA-N 0 0 412.820 5.913 50 30 HKEARN C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003119849 558928510 /nfs/dbraw/zinc/92/85/10/558928510.db2.gz QVGBQBSTAFJCMW-UHFFFAOYSA-N 0 0 415.484 5.976 50 30 HKEARN C=CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4CC=C)ccc21 ZINC000003120271 558941653 /nfs/dbraw/zinc/94/16/53/558941653.db2.gz XRGFZEVGDWUXAR-UHFFFAOYSA-N 0 0 412.536 7.941 50 30 HKEARN O=C(/C=C/OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000003120414 557448192 /nfs/dbraw/zinc/44/81/92/557448192.db2.gz VVZGGVJUOAYIRQ-AATRIKPKSA-N 0 0 422.708 5.931 50 30 HKEARN O=C(/C=C/OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000003120417 557448196 /nfs/dbraw/zinc/44/81/96/557448196.db2.gz MOWYLWTVXRQMBM-AATRIKPKSA-N 0 0 406.253 5.417 50 30 HKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000003120473 557448210 /nfs/dbraw/zinc/44/82/10/557448210.db2.gz JBWVTZMAVVRXOL-GZIVZEMBSA-N 0 0 400.092 7.014 50 30 HKEARN CC(C)(C)C1=CC(=NC2=C(Cl)C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O ZINC000003122303 569012690 /nfs/dbraw/zinc/01/26/90/569012690.db2.gz HUAJSNZEFOGBEE-UHFFFAOYSA-N 0 0 409.913 5.485 50 30 HKEARN Cc1ccc(S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000003123808 560886316 /nfs/dbraw/zinc/88/63/16/560886316.db2.gz ZZXPUJBAUVDSRS-LSDHQDQOSA-N 0 0 401.940 5.576 50 30 HKEARN CC(C)(C)C1=CC(=NOC(=O)c2ccccc2Br)C=C(C(C)(C)C)C1=O ZINC000003124245 568857085 /nfs/dbraw/zinc/85/70/85/568857085.db2.gz HLIJLSGUARJNBG-UHFFFAOYSA-N 0 0 418.331 5.490 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1OC(=O)c1c(Cl)cccc1Cl ZINC000003125647 568857150 /nfs/dbraw/zinc/85/71/50/568857150.db2.gz FWFZGXIULDKZNH-UHFFFAOYSA-N 0 0 403.652 5.800 50 30 HKEARN CSc1nc(COc2ccc(C(C)(C)C)cc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003125886 568856721 /nfs/dbraw/zinc/85/67/21/568856721.db2.gz BMJZALOKPOPLQD-UHFFFAOYSA-N 0 0 423.969 6.267 50 30 HKEARN C(=N/c1c(-c2cccc3ccccc32)nc2n1CCS2)\c1cccc2ccccc12 ZINC000003125970 557448933 /nfs/dbraw/zinc/44/89/33/557448933.db2.gz LEDUFZFSNYPQAR-WPWMEQJKSA-N 0 0 405.526 6.713 50 30 HKEARN N#Cc1ccc(SCCOC(=O)Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003126191 568856819 /nfs/dbraw/zinc/85/68/19/568856819.db2.gz UKBCYWLQUPEPOU-UHFFFAOYSA-N 0 0 412.254 5.114 50 30 HKEARN C(=N/c1ccc(OCCCOc2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1 ZINC000003126671 557449027 /nfs/dbraw/zinc/44/90/27/557449027.db2.gz TYOGWHQPKSBTFY-BFNWXZRRSA-N 0 0 414.461 6.222 50 30 HKEARN Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003126855 557448936 /nfs/dbraw/zinc/44/89/36/557448936.db2.gz GVWPLRJHAKBKKA-UHFFFAOYSA-N 0 0 403.244 5.877 50 30 HKEARN O=C(Nc1cc(Cl)cc(Cl)c1)OCc1ccc(C#Cc2ccccc2)s1 ZINC000003127471 558937203 /nfs/dbraw/zinc/93/72/03/558937203.db2.gz JRMRGMGAEDSFRV-UHFFFAOYSA-N 0 0 402.302 6.203 50 30 HKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)OCc1ccc(C#Cc2ccccc2)s1 ZINC000003127472 558993161 /nfs/dbraw/zinc/99/31/61/558993161.db2.gz OSUQMFMYOOYHDN-UHFFFAOYSA-N 0 0 417.408 5.795 50 30 HKEARN Cc1ccc(S(=O)(=O)OCC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000003128001 569012733 /nfs/dbraw/zinc/01/27/33/569012733.db2.gz ZWCOLUNNWAHGCS-UTTDKNERSA-N 0 0 404.531 5.388 50 30 HKEARN Cc1ccc(S(=O)(=O)OCC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000003128002 569012719 /nfs/dbraw/zinc/01/27/19/569012719.db2.gz ZWCOLUNNWAHGCS-SGAUDOEVSA-N 0 0 404.531 5.388 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(Br)cc1 ZINC000003128239 568857296 /nfs/dbraw/zinc/85/72/96/568857296.db2.gz UTQPLZRTHYAMPX-UHFFFAOYSA-N 0 0 401.716 6.187 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2c(Cl)cccc2Cl)c1=O ZINC000003128250 568857309 /nfs/dbraw/zinc/85/73/09/568857309.db2.gz PWRUOQFHSODKHV-UHFFFAOYSA-N 0 0 424.114 6.049 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003128251 568857293 /nfs/dbraw/zinc/85/72/93/568857293.db2.gz UWJLYSRMTJFXRT-UHFFFAOYSA-N 0 0 424.114 6.049 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2c(F)cccc2Cl)c1=O ZINC000003128252 568857271 /nfs/dbraw/zinc/85/72/71/568857271.db2.gz HHCPHBYBASUEHV-UHFFFAOYSA-N 0 0 407.659 5.535 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000003128255 568857218 /nfs/dbraw/zinc/85/72/18/568857218.db2.gz QAECXKHEYWIMSN-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2c(F)cccc2Cl)c1=O ZINC000003128323 568857288 /nfs/dbraw/zinc/85/72/88/568857288.db2.gz IEUPFWZDFLSZLO-UHFFFAOYSA-N 0 0 406.766 5.247 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2c(Cl)cccc2Cl)c1=O ZINC000003128324 568857239 /nfs/dbraw/zinc/85/72/39/568857239.db2.gz UNRYZZRZHOLWJP-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003128325 568857315 /nfs/dbraw/zinc/85/73/15/568857315.db2.gz NTLFKTVDVYSVOL-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003128326 568857209 /nfs/dbraw/zinc/85/72/09/568857209.db2.gz DCZUCIBIURXILC-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000003128375 568857346 /nfs/dbraw/zinc/85/73/46/568857346.db2.gz FQCADPXVUFMBDG-UHFFFAOYSA-N 0 0 408.301 6.450 50 30 HKEARN Clc1ccc(CO/N=C/C2=C(Cl)C3=C(SC2)c2ccccc2C3)c(Cl)c1 ZINC000003128573 568857353 /nfs/dbraw/zinc/85/73/53/568857353.db2.gz DIHRZARYJQZZPY-PGGKNCGUSA-N 0 0 422.764 6.703 50 30 HKEARN Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=N/OCc1ccc(Cl)cc1 ZINC000003128621 568857268 /nfs/dbraw/zinc/85/72/68/568857268.db2.gz WYHVWBWNACMXOE-YSURURNPSA-N 0 0 421.711 5.767 50 30 HKEARN N#Cc1cc(Br)c(OCc2c(F)cccc2Cl)c(Br)c1 ZINC000003129558 568856705 /nfs/dbraw/zinc/85/67/05/568856705.db2.gz VBLYIDVCBPDDKX-UHFFFAOYSA-N 0 0 419.475 5.455 50 30 HKEARN O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000003129856 557449296 /nfs/dbraw/zinc/44/92/96/557449296.db2.gz AHERFSXODZCXLQ-MKYUKRCKSA-N 0 0 424.525 6.021 50 30 HKEARN FC(F)(F)c1cnc(-n2cccc2/C=N/OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000003133273 568857692 /nfs/dbraw/zinc/85/76/92/568857692.db2.gz XKYUFQRENYYGLT-KIBLKLHPSA-N 0 0 414.214 5.749 50 30 HKEARN N#Cc1cc(C(=O)c2ccc(Cl)cc2)cn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003133281 568857626 /nfs/dbraw/zinc/85/76/26/568857626.db2.gz TWJZSBUZNQJUCA-UHFFFAOYSA-N 0 0 410.182 5.301 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000003133657 568857676 /nfs/dbraw/zinc/85/76/76/568857676.db2.gz ICLLBIAIOWMMFS-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003133658 568857605 /nfs/dbraw/zinc/85/76/05/568857605.db2.gz IWLAIMOYTZAXFV-UHFFFAOYSA-N 0 0 423.221 5.761 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1cccc(C(F)(F)F)c1 ZINC000003133674 568857683 /nfs/dbraw/zinc/85/76/83/568857683.db2.gz RZGOPYOWALBCAG-UHFFFAOYSA-N 0 0 408.301 6.450 50 30 HKEARN Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3sccn23)cc1Cl ZINC000003133811 568857670 /nfs/dbraw/zinc/85/76/70/568857670.db2.gz QRVRMJIICZJNOM-SSDVNMTOSA-N 0 0 402.306 5.920 50 30 HKEARN C=CCSc1nnc([C@@H](C)c2ncc(C(F)(F)F)cc2Cl)n1-c1ccccc1 ZINC000003134792 568857833 /nfs/dbraw/zinc/85/78/33/568857833.db2.gz FAUYJGBHTQVZNC-LBPRGKRZSA-N 0 0 424.879 5.764 50 30 HKEARN C=CCSc1nnc([C@H](C)c2ncc(C(F)(F)F)cc2Cl)n1-c1ccccc1 ZINC000003134793 568857860 /nfs/dbraw/zinc/85/78/60/568857860.db2.gz FAUYJGBHTQVZNC-GFCCVEGCSA-N 0 0 424.879 5.764 50 30 HKEARN FC(F)(F)c1cnc(-n2nccc2/C=N/OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000003134932 557449747 /nfs/dbraw/zinc/44/97/47/557449747.db2.gz ODMYBIDQGUBJKY-YCPBAFNGSA-N 0 0 415.202 5.144 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003135117 568857776 /nfs/dbraw/zinc/85/77/76/568857776.db2.gz CCPZGAZFKDCECH-UHFFFAOYSA-N 0 0 416.977 7.349 50 30 HKEARN C#CCn1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003135118 558937251 /nfs/dbraw/zinc/93/72/51/558937251.db2.gz HQNVXIWYJVMYFP-UHFFFAOYSA-N 0 0 414.961 6.796 50 30 HKEARN C=CCOCc1c(-c2ccccc2)nn(C)c1Sc1c(Cl)cccc1Cl ZINC000003135135 558942357 /nfs/dbraw/zinc/94/23/57/558942357.db2.gz QUWCMQFSRJZTTD-UHFFFAOYSA-N 0 0 405.350 6.248 50 30 HKEARN Cc1cc(C)c(C#N)c(S[C@H](C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)n1 ZINC000003135200 568857402 /nfs/dbraw/zinc/85/74/02/568857402.db2.gz TVEXZXUDZDEVLX-QHCPKHFHSA-N 0 0 415.562 6.166 50 30 HKEARN Cc1cc(C)c(C#N)c(S[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)n1 ZINC000003135201 568857514 /nfs/dbraw/zinc/85/75/14/568857514.db2.gz TVEXZXUDZDEVLX-HSZRJFAPSA-N 0 0 415.562 6.166 50 30 HKEARN CCCCC#Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2C)o1 ZINC000003138337 558983123 /nfs/dbraw/zinc/98/31/23/558983123.db2.gz MYFDIYFPYSZRGF-UHFFFAOYSA-N 0 0 420.365 6.216 50 30 HKEARN N#CC(=NNc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1OC(F)(F)F ZINC000003138454 557450488 /nfs/dbraw/zinc/45/04/88/557450488.db2.gz NGZTZBWMAJIQRG-ZMOGYAJESA-N 0 0 402.159 5.066 50 30 HKEARN N#CC(=NNc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003138458 557450510 /nfs/dbraw/zinc/45/05/10/557450510.db2.gz YZKLUWQJSHXSBF-ZVHZXABRSA-N 0 0 402.159 5.066 50 30 HKEARN O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138652 557450536 /nfs/dbraw/zinc/45/05/36/557450536.db2.gz DUSDEDSVUQBGLB-UHFFFAOYSA-N 0 0 414.708 5.142 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000003139153 568858038 /nfs/dbraw/zinc/85/80/38/568858038.db2.gz VKABPMHMNNQIPS-PCLIKHOPSA-N 0 0 401.466 5.895 50 30 HKEARN CCCCc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000003139266 568857497 /nfs/dbraw/zinc/85/74/97/568857497.db2.gz TUEDFNUBEUXKNR-UHFFFAOYSA-N 0 0 412.917 5.062 50 30 HKEARN O=C(Nc1cccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl ZINC000003139294 560724930 /nfs/dbraw/zinc/72/49/30/560724930.db2.gz MYIAPABUDPGGHK-BAQHSMLZSA-N 0 0 405.841 5.916 50 30 HKEARN CCOc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000003139399 560725328 /nfs/dbraw/zinc/72/53/28/560725328.db2.gz LAHRQTQYELSXSX-DPYVXGJJSA-N 0 0 413.433 6.217 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000003140436 560733104 /nfs/dbraw/zinc/73/31/04/560733104.db2.gz PHILFMMEEVFMMS-BOPFTXTBSA-N 0 0 415.301 6.145 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000003144726 560737705 /nfs/dbraw/zinc/73/77/05/560737705.db2.gz SREUTDQRHOBSAM-WGOQTCKBSA-N 0 0 410.429 6.026 50 30 HKEARN CCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003145059 560737798 /nfs/dbraw/zinc/73/77/98/560737798.db2.gz LOZQORUJFOFLEZ-UHFFFAOYSA-N 0 0 424.588 8.150 50 30 HKEARN N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000003146927 568858239 /nfs/dbraw/zinc/85/82/39/568858239.db2.gz PPBABPDVOHWTOJ-MZKUHISZSA-N 0 0 401.469 5.096 50 30 HKEARN Cc1cc(-c2ccc(/N=C/c3ccccc3F)c(C)c2)ccc1/N=C/c1ccccc1F ZINC000003147030 557451254 /nfs/dbraw/zinc/45/12/54/557451254.db2.gz HKWBMTFGCMRIPL-LTTYKRRRSA-N 0 0 424.494 7.750 50 30 HKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)C1(Nc1ccccc1)c1ccccc1 ZINC000003147043 557451261 /nfs/dbraw/zinc/45/12/61/557451261.db2.gz XWOIJXYPUWADLO-UHFFFAOYSA-N 0 0 415.492 5.757 50 30 HKEARN CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1/N=C/c1ccccc1 ZINC000003147450 560739291 /nfs/dbraw/zinc/73/92/91/560739291.db2.gz PFFVHXVHHPUNSY-ZXVVBBHZSA-N 0 0 418.504 5.242 50 30 HKEARN CCCCCCCC(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000003147775 557451384 /nfs/dbraw/zinc/45/13/84/557451384.db2.gz FCNGZUIAVWZJLA-HNNXBMFYSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000003147776 557451348 /nfs/dbraw/zinc/45/13/48/557451348.db2.gz FCNGZUIAVWZJLA-OAHLLOKOSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCCCC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000003147777 557451556 /nfs/dbraw/zinc/45/15/56/557451556.db2.gz CIFNFCHENGSWQP-HNNXBMFYSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000003147778 557451606 /nfs/dbraw/zinc/45/16/06/557451606.db2.gz CIFNFCHENGSWQP-OAHLLOKOSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003147779 557451614 /nfs/dbraw/zinc/45/16/14/557451614.db2.gz PPVXHUQTKDWHSU-HNNXBMFYSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003147780 557451507 /nfs/dbraw/zinc/45/15/07/557451507.db2.gz PPVXHUQTKDWHSU-OAHLLOKOSA-N 0 0 400.177 5.925 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000003150532 557451553 /nfs/dbraw/zinc/45/15/53/557451553.db2.gz DGXXLLAHFJNUAY-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000003150533 557451528 /nfs/dbraw/zinc/45/15/28/557451528.db2.gz DGXXLLAHFJNUAY-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000003154844 560750018 /nfs/dbraw/zinc/75/00/18/560750018.db2.gz PJUSLWPIIRXNFJ-AREMUKBSSA-N 0 0 420.553 6.855 50 30 HKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000003154845 560750025 /nfs/dbraw/zinc/75/00/25/560750025.db2.gz PJUSLWPIIRXNFJ-SANMLTNESA-N 0 0 420.553 6.855 50 30 HKEARN Fc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1 ZINC000003154874 560750219 /nfs/dbraw/zinc/75/02/19/560750219.db2.gz OFURDCYGODRMAS-YAGSLNJISA-N 0 0 412.439 7.258 50 30 HKEARN CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1C#N ZINC000003158155 568858427 /nfs/dbraw/zinc/85/84/27/568858427.db2.gz AXJHXZXVQPLFBX-UHFFFAOYSA-N 0 0 424.500 6.275 50 30 HKEARN Cc1ccc(S(=O)(=O)OCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000003158281 557451986 /nfs/dbraw/zinc/45/19/86/557451986.db2.gz BJXVUAVDVJACLW-UHFFFAOYSA-N 0 0 418.599 5.634 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC ZINC000003158309 560752226 /nfs/dbraw/zinc/75/22/26/560752226.db2.gz MLMGHCBKCISDEJ-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC ZINC000003158310 560752254 /nfs/dbraw/zinc/75/22/54/560752254.db2.gz MLMGHCBKCISDEJ-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN N#Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000003161988 557451998 /nfs/dbraw/zinc/45/19/98/557451998.db2.gz QTDYGUHZZPDGNI-GKTLAHRSSA-N 0 0 410.480 6.598 50 30 HKEARN CCCCCCCOC(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2Cl)cc1 ZINC000003162189 557452041 /nfs/dbraw/zinc/45/20/41/557452041.db2.gz XHZQTCZKWIRTJY-UHFFFAOYSA-N 0 0 424.875 6.389 50 30 HKEARN CCCCCCCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000003162209 557452031 /nfs/dbraw/zinc/45/20/31/557452031.db2.gz CUASNWDPSJKOJS-UHFFFAOYSA-N 0 0 404.510 6.611 50 30 HKEARN Fc1cccc(F)c1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003162346 557452013 /nfs/dbraw/zinc/45/20/13/557452013.db2.gz ONURPUQVEJPNIQ-UHFFFAOYSA-N 0 0 400.294 5.811 50 30 HKEARN O=C(OCC#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000003162347 557451979 /nfs/dbraw/zinc/45/19/79/557451979.db2.gz WTSFNSGDWVLSTG-UHFFFAOYSA-N 0 0 408.244 5.211 50 30 HKEARN CCCCCCCCS(=O)(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003162527 557452065 /nfs/dbraw/zinc/45/20/65/557452065.db2.gz CQBJWFQOFGSAGC-JJIBRWJFSA-N 0 0 424.651 5.601 50 30 HKEARN N#Cc1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)c1ccc(F)cc1 ZINC000003164033 568858977 /nfs/dbraw/zinc/85/89/77/568858977.db2.gz DWFGLLLARLLPIQ-UHFFFAOYSA-N 0 0 413.456 5.353 50 30 HKEARN C=C1N(C)c2ccc([C@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)cc2C1(C)C ZINC000003164967 568858980 /nfs/dbraw/zinc/85/89/80/568858980.db2.gz XGRLADKBNBGNRY-RUZDIDTESA-N 0 0 406.529 6.343 50 30 HKEARN C=C1N(C)c2ccc([C@@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)cc2C1(C)C ZINC000003164968 568858989 /nfs/dbraw/zinc/85/89/89/568858989.db2.gz XGRLADKBNBGNRY-VWLOTQADSA-N 0 0 406.529 6.343 50 30 HKEARN Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003165557 568858770 /nfs/dbraw/zinc/85/87/70/568858770.db2.gz HOXNBDFGMQBRMK-UHFFFAOYSA-N 0 0 422.484 6.120 50 30 HKEARN Oc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000003166155 557452362 /nfs/dbraw/zinc/45/23/62/557452362.db2.gz SQJDKYRAPCNDFI-ZTKZIYFRSA-N 0 0 415.496 6.663 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000003167695 560893332 /nfs/dbraw/zinc/89/33/32/560893332.db2.gz NEMUNBOLRQNSQK-OEAKJJBVSA-N 0 0 410.267 5.428 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000003167774 568859153 /nfs/dbraw/zinc/85/91/53/568859153.db2.gz QMGMBUOMGVPKSK-ZLNRFVROSA-N 0 0 407.498 5.032 50 30 HKEARN Oc1ccc(C(c2ccc(O)cc2)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000003167826 568859145 /nfs/dbraw/zinc/85/91/45/568859145.db2.gz DRNXTCZPTYNGGX-UHFFFAOYSA-N 0 0 400.265 5.401 50 30 HKEARN O=C(Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003168167 560893378 /nfs/dbraw/zinc/89/33/78/560893378.db2.gz AAMHTGCWWBGCRY-JFLMPSFJSA-N 0 0 420.295 7.116 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3ccc(Cl)cc3)nc12 ZINC000003168332 568859146 /nfs/dbraw/zinc/85/91/46/568859146.db2.gz XPBURMNTYFUVQK-DHRITJCHSA-N 0 0 423.303 5.804 50 30 HKEARN O=C(/C=C/c1ccccc1)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000003168642 557452477 /nfs/dbraw/zinc/45/24/77/557452477.db2.gz OKGMGDSLMCPGPB-IZZDOVSWSA-N 0 0 423.353 6.221 50 30 HKEARN CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000003168723 560893359 /nfs/dbraw/zinc/89/33/59/560893359.db2.gz ZJETZZLNQUGCON-MTDXEUNCSA-N 0 0 423.468 5.986 50 30 HKEARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C(F)(F)C(F)(F)C(F)(F)F ZINC000003169262 557452570 /nfs/dbraw/zinc/45/25/70/557452570.db2.gz NMSMFTYYEWHMJX-UHFFFAOYSA-N 0 0 408.245 5.509 50 30 HKEARN CCCCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000003169281 568858782 /nfs/dbraw/zinc/85/87/82/568858782.db2.gz VYACRTRBVBADRR-UHFFFAOYSA-N 0 0 403.873 5.162 50 30 HKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000003169629 569322982 /nfs/dbraw/zinc/32/29/82/569322982.db2.gz ZULBUOGCSQNCDS-NTJMOUOKSA-N 0 0 403.825 6.472 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000003169787 568858764 /nfs/dbraw/zinc/85/87/64/568858764.db2.gz FEBRMSZIOISRAE-MRXNPFEDSA-N 0 0 418.518 5.340 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000003169790 568858795 /nfs/dbraw/zinc/85/87/95/568858795.db2.gz FEBRMSZIOISRAE-INIZCTEOSA-N 0 0 418.518 5.340 50 30 HKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1/C(=N/c1ccccc1)N1CCCC1 ZINC000003170074 557452501 /nfs/dbraw/zinc/45/25/01/557452501.db2.gz FQTDWVUJNUOYGX-FLFQWRMESA-N 0 0 400.309 6.131 50 30 HKEARN Fc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc(Cl)cc5)nc4c3)o2)cc1 ZINC000003170231 568859337 /nfs/dbraw/zinc/85/93/37/568859337.db2.gz LXGDHTCKAUKLDX-MZJWZYIUSA-N 0 0 416.839 7.298 50 30 HKEARN Cc1cc(O)c(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C ZINC000003170263 568859389 /nfs/dbraw/zinc/85/93/89/568859389.db2.gz FFJHOAJHNRWDML-WSDLNYQXSA-N 0 0 407.382 5.368 50 30 HKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4cccc(Cl)c4)nc3c1)OCO2 ZINC000003170297 557452849 /nfs/dbraw/zinc/45/28/49/557452849.db2.gz GMCOFSURXUJVLF-AUEPDCJTSA-N 0 0 421.796 5.536 50 30 HKEARN N#Cc1cc(C(=O)C(F)(F)F)c(-c2cccs2)nc1SCc1ccccc1 ZINC000003174872 568859796 /nfs/dbraw/zinc/85/97/96/568859796.db2.gz LKXPBEGLXFGDIU-UHFFFAOYSA-N 0 0 404.438 5.719 50 30 HKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc2ccccc2c1 ZINC000003176719 568859957 /nfs/dbraw/zinc/85/99/57/568859957.db2.gz RUTCEGDXAGJUJD-UHFFFAOYSA-N 0 0 417.921 5.333 50 30 HKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(Br)cc1 ZINC000003176848 568859358 /nfs/dbraw/zinc/85/93/58/568859358.db2.gz GITLPZYTMLIRRH-UHFFFAOYSA-N 0 0 409.308 5.358 50 30 HKEARN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CC/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000003177762 560588724 /nfs/dbraw/zinc/58/87/24/560588724.db2.gz VXRMTCWRMRVEPQ-DWVPNOFWSA-N 0 0 412.532 7.851 50 30 HKEARN CC(C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000003178370 568860066 /nfs/dbraw/zinc/86/00/66/568860066.db2.gz YSHIANUJWZXKBT-UHFFFAOYSA-N 0 0 409.942 5.304 50 30 HKEARN O=C1CS/C(=N\c2cc(Cl)cc(Cl)c2)N1c1cc(Cl)cc(Cl)c1 ZINC000003180317 557453756 /nfs/dbraw/zinc/45/37/56/557453756.db2.gz JSAXRTBMEFRYOO-HKWRFOASSA-N 0 0 406.121 6.068 50 30 HKEARN Fc1cccc(Cl)c1Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000003180381 557453769 /nfs/dbraw/zinc/45/37/69/557453769.db2.gz LKOIJOOEMWBBAG-UHFFFAOYSA-N 0 0 424.707 5.219 50 30 HKEARN COc1ccc(C(=O)CC(C#Cc2ccccc2)CC(=O)c2ccc(OC)cc2)cc1 ZINC000003185600 568480342 /nfs/dbraw/zinc/48/03/42/568480342.db2.gz JFKSDGHAALJJHN-UHFFFAOYSA-N 0 0 412.485 5.218 50 30 biogenic HKEARN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1 ZINC000003188475 569236957 /nfs/dbraw/zinc/23/69/57/569236957.db2.gz QHMFHJZRVHGPOU-WPWMEQJKSA-N 0 0 405.457 5.265 50 30 HKEARN CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)C(=O)C1 ZINC000003188639 568860471 /nfs/dbraw/zinc/86/04/71/568860471.db2.gz ZXNALFIOKFKOON-UHFFFAOYSA-N 0 0 423.516 5.472 50 30 HKEARN CCC(NC(=O)Nc1cc(C(F)(F)F)ccc1OC)(C(F)(F)F)C(F)(F)F ZINC000003188747 568479649 /nfs/dbraw/zinc/47/96/49/568479649.db2.gz IAOFIDDOYJAOIX-UHFFFAOYSA-N 0 0 412.252 5.109 50 30 HKEARN C=C1[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003190827 568860585 /nfs/dbraw/zinc/86/05/85/568860585.db2.gz BIVLRFGJAOMWBY-VXKWHMMOSA-N 0 0 404.554 5.661 50 30 HKEARN Cc1cc2nc3c(C#N)c4n(Cc5ccccc5)c5ccccc5n4c3nc2cc1C ZINC000003192101 568860786 /nfs/dbraw/zinc/86/07/86/568860786.db2.gz LJEQYFODHZDPQV-UHFFFAOYSA-N 0 0 401.473 5.527 50 30 HKEARN C(=N/N=C/c1ccc(OCc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000003193180 557455027 /nfs/dbraw/zinc/45/50/27/557455027.db2.gz MREDZLWXXORBND-CZYCKNNWSA-N 0 0 420.512 6.298 50 30 HKEARN N#Cc1c(Nc2nc3ccccc3nc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003193251 568860718 /nfs/dbraw/zinc/86/07/18/568860718.db2.gz WYYBVGCBODHNOU-UHFFFAOYSA-N 0 0 422.875 6.825 50 30 HKEARN CCCCCCCCOc1ccc(NC(=O)Nc2cc(F)c(F)cc2Cl)cc1 ZINC000003193998 568860940 /nfs/dbraw/zinc/86/09/40/568860940.db2.gz SGGHALHLWHAQPE-UHFFFAOYSA-N 0 0 410.892 7.002 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000003196754 557455209 /nfs/dbraw/zinc/45/52/09/557455209.db2.gz CQUZGPSCMKGNII-UHFFFAOYSA-N 0 0 407.510 5.785 50 30 HKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(I)cc3)ccc21 ZINC000003196976 557455282 /nfs/dbraw/zinc/45/52/82/557455282.db2.gz HPAFRKBGRIINQF-OEAKJJBVSA-N 0 0 424.285 6.170 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000003197088 557455273 /nfs/dbraw/zinc/45/52/73/557455273.db2.gz ANEZYHGXLOPILB-UHFFFAOYSA-N 0 0 409.482 5.013 50 30 HKEARN C=CCNC(=S)c1c(-c2ccccc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000003197204 568860994 /nfs/dbraw/zinc/86/09/94/568860994.db2.gz LLYQEDGOPCITNH-UHFFFAOYSA-N 0 0 411.574 5.862 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)=N2 ZINC000003199359 568861229 /nfs/dbraw/zinc/86/12/29/568861229.db2.gz VACQTLWEBRNCOZ-UHFFFAOYSA-N 0 0 417.231 5.123 50 30 HKEARN COc1cc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)ccc1O ZINC000003202662 568846172 /nfs/dbraw/zinc/84/61/72/568846172.db2.gz QVTTWOVTEGDRLI-BHGWPJFGSA-N 0 0 412.276 6.002 50 30 HKEARN CC(C)(O[P@](N)(=O)Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000003203037 568861359 /nfs/dbraw/zinc/86/13/59/568861359.db2.gz SEAVDPLPIMWCHD-AREMUKBSSA-N 0 0 415.217 5.098 50 30 HKEARN CC(C)(O[P@@](N)(=O)Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000003203038 568861368 /nfs/dbraw/zinc/86/13/68/568861368.db2.gz SEAVDPLPIMWCHD-SANMLTNESA-N 0 0 415.217 5.098 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000003206069 568846148 /nfs/dbraw/zinc/84/61/48/568846148.db2.gz PYLOKYZYQQZXRO-KMNHIJHVSA-N 0 0 403.825 6.472 50 30 HKEARN CC(C)(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003206560 557456109 /nfs/dbraw/zinc/45/61/09/557456109.db2.gz MCUQIGXOZKMHOU-UHFFFAOYSA-N 0 0 406.566 6.384 50 30 HKEARN Clc1ccccc1-c1ccc(/C=N/N=C/c2ccc(-c3ccccc3Cl)o2)o1 ZINC000003208914 557456441 /nfs/dbraw/zinc/45/64/41/557456441.db2.gz XTDUFDRSRRMFMQ-BKHCZYBLSA-N 0 0 409.272 6.966 50 30 HKEARN O=C1/C(=C/c2ccccc2OC(F)F)CC/C1=C/c1ccc(Br)cc1 ZINC000003209998 560886638 /nfs/dbraw/zinc/88/66/38/560886638.db2.gz XNSQNQUDMAXKHA-UKVBVZPVSA-N 0 0 405.238 5.880 50 30 HKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(C)c1Cl ZINC000003211199 568846679 /nfs/dbraw/zinc/84/66/79/568846679.db2.gz FWHJPANWJRCPCC-OPEKNORGSA-N 0 0 411.288 6.875 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003211242 568846652 /nfs/dbraw/zinc/84/66/52/568846652.db2.gz UVKWCHQFRYCHNZ-PFITVWDTSA-N 0 0 417.852 6.781 50 30 HKEARN O=C(c1cc([N+](=O)[O-])ccc1Cl)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211329 568862212 /nfs/dbraw/zinc/86/22/12/568862212.db2.gz RJPYDOUHVQNAHL-UHFFFAOYSA-N 0 0 412.898 5.874 50 30 HKEARN O=C(c1cncc(Br)c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211334 568862113 /nfs/dbraw/zinc/86/21/13/568862113.db2.gz IHTUJFCSAAVFLZ-UHFFFAOYSA-N 0 0 413.340 5.470 50 30 HKEARN O=C(c1ccccc1Br)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211335 568862151 /nfs/dbraw/zinc/86/21/51/568862151.db2.gz VPECTOZITBDGAA-UHFFFAOYSA-N 0 0 412.352 6.075 50 30 HKEARN O=C(c1cccc(Br)c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211399 568862223 /nfs/dbraw/zinc/86/22/23/568862223.db2.gz XOBJUUNGWCAUOO-UHFFFAOYSA-N 0 0 412.352 6.075 50 30 HKEARN O=C(c1ccc(Cl)cc1Cl)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211608 568862204 /nfs/dbraw/zinc/86/22/04/568862204.db2.gz CEANNVQRFWYFRL-UHFFFAOYSA-N 0 0 402.346 6.619 50 30 HKEARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211610 568862116 /nfs/dbraw/zinc/86/21/16/568862116.db2.gz WUVWAIIISWKAPW-UHFFFAOYSA-N 0 0 412.898 5.874 50 30 HKEARN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2ccc(Br)cc2)c1 ZINC000003211770 568846719 /nfs/dbraw/zinc/84/67/19/568846719.db2.gz XIMPACRXDFSJDN-ZVHZXABRSA-N 0 0 404.263 5.973 50 30 HKEARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000003213987 557456893 /nfs/dbraw/zinc/45/68/93/557456893.db2.gz VEQWZRKAHDRMJL-UHFFFAOYSA-N 0 0 404.245 5.117 50 30 HKEARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000003214031 557456936 /nfs/dbraw/zinc/45/69/36/557456936.db2.gz COPPMNQLNBZAHZ-UHFFFAOYSA-N 0 0 404.245 5.117 50 30 HKEARN CC(C)(C)c1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc(C(C)(C)C)c1 ZINC000003216529 568862571 /nfs/dbraw/zinc/86/25/71/568862571.db2.gz DZVVPVUCNBPOQP-UHFFFAOYSA-N 0 0 420.553 5.385 50 30 HKEARN C=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003218149 568863007 /nfs/dbraw/zinc/86/30/07/568863007.db2.gz ZLXPXKIFMHPEIA-UHFFFAOYSA-N 0 0 402.563 6.691 50 30 HKEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003221913 568847444 /nfs/dbraw/zinc/84/74/44/568847444.db2.gz QIBPSWNISXNPIB-FQEVSTJZSA-N 0 0 402.457 5.279 50 30 HKEARN C=CCN(CC=C)Cn1nc(-c2ccncc2)n(-c2cccc(Cl)c2C)c1=S ZINC000003224531 568863927 /nfs/dbraw/zinc/86/39/27/568863927.db2.gz FBBCBDKDLCSYNH-UHFFFAOYSA-N 0 0 411.962 5.059 50 30 HKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1ccc(F)cc1 ZINC000003225024 568864046 /nfs/dbraw/zinc/86/40/46/568864046.db2.gz MNRMTUPSBBJUJK-UHFFFAOYSA-N 0 0 408.523 5.742 50 30 HKEARN O=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1sc2cc(F)ccc2c1Cl ZINC000003225671 568864111 /nfs/dbraw/zinc/86/41/11/568864111.db2.gz GDFGNXIJGGCUMD-UHFFFAOYSA-N 0 0 418.660 5.502 50 30 HKEARN O=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1sc2cc(F)ccc2c1Cl ZINC000003225966 568864000 /nfs/dbraw/zinc/86/40/00/568864000.db2.gz JGDWJZLXRPHDCA-UHFFFAOYSA-N 0 0 417.767 5.214 50 30 HKEARN C[C@H]1CC(C)(C)Cc2c(C#N)c(NC(=O)c3ccccc3Br)sc21 ZINC000003227432 568864322 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N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000003238788 568847843 /nfs/dbraw/zinc/84/78/43/568847843.db2.gz HTZFVRWLEKAZQI-UHFFFAOYSA-N 0 0 414.848 5.314 50 30 HKEARN Cc1cc(NC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n(CCC#N)n1 ZINC000003238899 560886757 /nfs/dbraw/zinc/88/67/57/560886757.db2.gz HRUNWTPRQVLCSU-XSFVSMFZSA-N 0 0 408.864 5.077 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003241981 568866540 /nfs/dbraw/zinc/86/65/40/568866540.db2.gz DCIDMGHPWNDEKM-UHFFFAOYSA-N 0 0 413.907 5.464 50 30 HKEARN N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000003242414 568866188 /nfs/dbraw/zinc/86/61/88/568866188.db2.gz LRRMJTZKDKHIBH-UHFFFAOYSA-N 0 0 415.543 6.028 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\c2ccc(F)cc2)cc1OC ZINC000003243255 568866765 /nfs/dbraw/zinc/86/67/65/568866765.db2.gz FWRCBNDPQAQHOK-YSMPRRRNSA-N 0 0 401.441 5.446 50 30 HKEARN C=CCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1-c1nc2ccccc2s1 ZINC000003243436 568848090 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FC(F)Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(F)F)cc3)cc2)cc1 ZINC000003249184 557463734 /nfs/dbraw/zinc/46/37/34/557463734.db2.gz NTQMDQJQGKSEHS-OCHFTUDZSA-N 0 0 416.374 6.391 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003249872 560589241 /nfs/dbraw/zinc/58/92/41/560589241.db2.gz OSJBTLQCHQLPNQ-UHFFFAOYSA-N 0 0 414.313 6.373 50 30 HKEARN N#Cc1ccc(COC(=O)CSc2ccc3ccccc3c2Br)cc1 ZINC000003252938 568868162 /nfs/dbraw/zinc/86/81/62/568868162.db2.gz UFOPUYYLMUFUAX-UHFFFAOYSA-N 0 0 412.308 5.309 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000003255943 568868316 /nfs/dbraw/zinc/86/83/16/568868316.db2.gz LIGWLPKYZBYNRA-UHFFFAOYSA-N 0 0 406.441 5.011 50 30 HKEARN N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 ZINC000003257016 568868527 /nfs/dbraw/zinc/86/85/27/568868527.db2.gz UNTMQDWFVHIJIS-UHFFFAOYSA-N 0 0 415.543 5.100 50 30 HKEARN O=C(Nc1cc(SC(F)(F)F)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000003257464 568868595 /nfs/dbraw/zinc/86/85/95/568868595.db2.gz 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ZINC000003263805 568869649 /nfs/dbraw/zinc/86/96/49/568869649.db2.gz NBDZBUIBAPGHGR-QFIPXVFZSA-N 0 0 418.949 5.933 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1ccc(-c3nc4ccccc4s3)s1)CCC2 ZINC000003265337 568869077 /nfs/dbraw/zinc/86/90/77/568869077.db2.gz YLJLHYULCYBQRM-UHFFFAOYSA-N 0 0 407.545 5.699 50 30 HKEARN CCOc1ccc2nc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)sc2c1 ZINC000003266063 560591086 /nfs/dbraw/zinc/59/10/86/560591086.db2.gz DJPFEMMXIUIAHH-CIAFOILYSA-N 0 0 424.591 5.668 50 30 HKEARN N#Cc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000003272406 568870668 /nfs/dbraw/zinc/87/06/68/568870668.db2.gz OSVVPQSTQFGPEB-UHFFFAOYSA-N 0 0 409.872 6.902 50 30 HKEARN N#Cc1c(NC(=O)COC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003272828 568870833 /nfs/dbraw/zinc/87/08/33/568870833.db2.gz VWVZLICEKOGRED-UHFFFAOYSA-N 0 0 422.440 5.281 50 30 HKEARN O=C(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003279552 560887016 /nfs/dbraw/zinc/88/70/16/560887016.db2.gz LANDUGNEMUDZBB-OBGWFSINSA-N 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568872728 /nfs/dbraw/zinc/87/27/28/568872728.db2.gz LRKGKRKKRHYLMY-UHFFFAOYSA-N 0 0 403.507 5.147 50 30 HKEARN C=CCn1c(SCCOc2ccc(Cl)cc2)nc2sc(CC)cc2c1=O ZINC000003292865 568873935 /nfs/dbraw/zinc/87/39/35/568873935.db2.gz YYURZLJHCXRKCG-UHFFFAOYSA-N 0 0 406.960 5.031 50 30 HKEARN C=CCn1c(C)cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1C ZINC000003292886 568874162 /nfs/dbraw/zinc/87/41/62/568874162.db2.gz GNUOUDAKMIMETO-UHFFFAOYSA-N 0 0 419.575 5.938 50 30 HKEARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(C#N)cc1 ZINC000003299253 568875723 /nfs/dbraw/zinc/87/57/23/568875723.db2.gz AKWRIOQPLQOLJG-UHFFFAOYSA-N 0 0 410.882 5.369 50 30 HKEARN N#CC(Cc1cccc(Cl)c1)(Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000003300861 560592868 /nfs/dbraw/zinc/59/28/68/560592868.db2.gz ZTVLMUSWYPXXGV-UHFFFAOYSA-N 0 0 423.368 6.850 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003301061 568876587 /nfs/dbraw/zinc/87/65/87/568876587.db2.gz AHTHHJFMVZMTMX-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN N#Cc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000003306529 560591833 /nfs/dbraw/zinc/59/18/33/560591833.db2.gz ZYZMZYHWWTZEJI-UHFFFAOYSA-N 0 0 416.116 6.639 50 30 HKEARN CCOc1ccc(/N=C(\CSc2ncccn2)Nc2ccc(OCC)cc2)cc1 ZINC000003311346 568878485 /nfs/dbraw/zinc/87/84/85/568878485.db2.gz PTRALMRUKYCCDV-UHFFFAOYSA-N 0 0 408.527 5.208 50 30 HKEARN CC(C)c1ccccc1-n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000003313687 560592122 /nfs/dbraw/zinc/59/21/22/560592122.db2.gz ZLMFNEBTMHAYPI-UHFFFAOYSA-N 0 0 411.530 5.673 50 30 HKEARN N#Cc1ccc(CC(C#N)(Cc2ccc(C#N)cc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003316010 568854050 /nfs/dbraw/zinc/85/40/50/568854050.db2.gz BBTVWZFYFAKFCY-UHFFFAOYSA-N 0 0 424.891 5.017 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccc(Cl)cc1Cl ZINC000003317805 560592210 /nfs/dbraw/zinc/59/22/10/560592210.db2.gz DCVSMDJYYQEVGP-UHFFFAOYSA-N 0 0 414.313 6.373 50 30 HKEARN N#CC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000003318483 568879735 /nfs/dbraw/zinc/87/97/35/568879735.db2.gz 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CC(=O)c1ccc(NC(=O)CNc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC000003322283 568880555 /nfs/dbraw/zinc/88/05/55/568880555.db2.gz HRSYUPXCQOYUCK-JOCHJYFZSA-N 0 0 417.896 5.249 50 30 HKEARN Cc1cc(C(=O)CC(C#N)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000003324754 568880941 /nfs/dbraw/zinc/88/09/41/568880941.db2.gz AFIXURFUMCWRJZ-UHFFFAOYSA-N 0 0 422.503 6.316 50 30 HKEARN C=CCN(C(=O)Cc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003327682 568854744 /nfs/dbraw/zinc/85/47/44/568854744.db2.gz SFOYZQYSJLEWGD-UHFFFAOYSA-N 0 0 410.542 6.239 50 30 HKEARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(F)c(Cl)c1 ZINC000003337515 568882938 /nfs/dbraw/zinc/88/29/38/568882938.db2.gz IPBLKWPNVRDQNJ-UHFFFAOYSA-N 0 0 400.624 5.396 50 30 HKEARN N#Cc1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003341659 568883831 /nfs/dbraw/zinc/88/38/31/568883831.db2.gz LRMDLDCWFJYJEM-UHFFFAOYSA-N 0 0 403.894 6.164 50 30 HKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)c1C ZINC000003345731 568884453 /nfs/dbraw/zinc/88/44/53/568884453.db2.gz OWZYBDVSGKAVAP-UHFFFAOYSA-N 0 0 416.521 5.148 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc21 ZINC000003346008 568884661 /nfs/dbraw/zinc/88/46/61/568884661.db2.gz ZTYYMDJINAZLGV-UHFFFAOYSA-N 0 0 412.470 5.230 50 30 HKEARN COC(=O)c1ccc(COc2ccc(/C=C3\CSc4ccccc4C3=O)cc2)cc1 ZINC000003347121 557478461 /nfs/dbraw/zinc/47/84/61/557478461.db2.gz LMDXWIYYWPLEAN-XSFVSMFZSA-N 0 0 416.498 5.424 50 30 HKEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000003354170 569278573 /nfs/dbraw/zinc/27/85/73/569278573.db2.gz NOHBWODDNFCVLM-UHFFFAOYSA-N 0 0 422.488 5.451 50 30 HKEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000003355821 568886756 /nfs/dbraw/zinc/88/67/56/568886756.db2.gz CMGGJFMMORXISH-UHFFFAOYSA-N 0 0 404.278 5.006 50 30 HKEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000003355854 568886700 /nfs/dbraw/zinc/88/67/00/568886700.db2.gz DLKARJDZPZXZLK-UHFFFAOYSA-N 0 0 404.278 5.006 50 30 HKEARN COc1cccc(-c2nn(CCC#N)cc2C(=O)N(c2ccccc2)c2ccccc2)c1 ZINC000003356859 557479285 /nfs/dbraw/zinc/47/92/85/557479285.db2.gz BXCLUDYPEIKIJQ-UHFFFAOYSA-N 0 0 422.488 5.451 50 30 HKEARN Cc1ccc(C(C)C)cc1OC(=O)c1cn(CCC#N)nc1-c1cccc([N+](=O)[O-])c1 ZINC000003356875 569278534 /nfs/dbraw/zinc/27/85/34/569278534.db2.gz FOVRJUUTKUYAEP-UHFFFAOYSA-N 0 0 418.453 5.023 50 30 HKEARN CCOc1ccccc1OCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003359503 568887383 /nfs/dbraw/zinc/88/73/83/568887383.db2.gz YPKDVXRHSDSCCH-UHFFFAOYSA-N 0 0 401.462 5.389 50 30 HKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000003360524 568887966 /nfs/dbraw/zinc/88/79/66/568887966.db2.gz BVBUXVCANGPGGF-UHFFFAOYSA-N 0 0 402.504 5.108 50 30 HKEARN N#Cc1ccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 ZINC000003363380 568888512 /nfs/dbraw/zinc/88/85/12/568888512.db2.gz CYTVTFRIRBCEAK-UHFFFAOYSA-N 0 0 416.575 5.337 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003364147 558830394 /nfs/dbraw/zinc/83/03/94/558830394.db2.gz SSOJPTCAZRZZHJ-UHFFFAOYSA-N 0 0 420.582 5.468 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl ZINC000003364522 568888743 /nfs/dbraw/zinc/88/87/43/568888743.db2.gz QZTUDPJCWHPYPO-UHFFFAOYSA-N 0 0 410.757 6.384 50 30 HKEARN C[C@@H](C#N)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F ZINC000003365064 568888879 /nfs/dbraw/zinc/88/88/79/568888879.db2.gz JBLUQZPWJFTSBI-UJFYRASASA-N 0 0 420.296 5.521 50 30 HKEARN C[C@H](C#N)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F ZINC000003365071 568888937 /nfs/dbraw/zinc/88/89/37/568888937.db2.gz JBLUQZPWJFTSBI-LKBVRNOZSA-N 0 0 420.296 5.521 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1nc2ccccc2s1)CCC3 ZINC000003371033 568890785 /nfs/dbraw/zinc/89/07/85/568890785.db2.gz RHBLCLUABKTEMU-UHFFFAOYSA-N 0 0 411.577 5.035 50 30 HKEARN Cc1ccc(C(C)C)cc1OC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000003372270 557480590 /nfs/dbraw/zinc/48/05/90/557480590.db2.gz CKBZWARCYXDNAW-UHFFFAOYSA-N 0 0 418.453 5.023 50 30 HKEARN Cc1ccc(-c2csc(N(C(=O)c3ccc(C#N)cc3)c3c(C)cccc3C)n2)cc1 ZINC000003393759 568895054 /nfs/dbraw/zinc/89/50/54/568895054.db2.gz VLZXEFASYUWMSH-UHFFFAOYSA-N 0 0 423.541 6.586 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccc(Cl)cc1 ZINC000003393827 568895081 /nfs/dbraw/zinc/89/50/81/568895081.db2.gz IVXPTGNNUYVEKO-UHFFFAOYSA-N 0 0 424.957 5.004 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1 ZINC000003399003 568895828 /nfs/dbraw/zinc/89/58/28/568895828.db2.gz GQUZPYQZMVCSCP-UHFFFAOYSA-N 0 0 411.530 5.773 50 30 HKEARN N#Cc1ccc(COC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000003399075 568895882 /nfs/dbraw/zinc/89/58/82/568895882.db2.gz YDSUTBBCYZWAMU-UHFFFAOYSA-N 0 0 403.290 5.274 50 30 HKEARN Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1Cc1ccccc1 ZINC000003403081 568896728 /nfs/dbraw/zinc/89/67/28/568896728.db2.gz YSNMPEVSRAYCLC-UHFFFAOYSA-N 0 0 412.518 5.401 50 30 HKEARN Cc1nc2scc(-c3cccs3)c2c(SCC(=O)Nc2ccccc2C#N)n1 ZINC000003405610 568857912 /nfs/dbraw/zinc/85/79/12/568857912.db2.gz JJJFRKCMZSMIFU-UHFFFAOYSA-N 0 0 422.560 5.331 50 30 HKEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000003407224 568897518 /nfs/dbraw/zinc/89/75/18/568897518.db2.gz XMXSNMRGMDEPRD-UHFFFAOYSA-N 0 0 404.278 5.006 50 30 HKEARN N#CC(Cc1cccc(F)c1)(Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl ZINC000003411815 568898275 /nfs/dbraw/zinc/89/82/75/568898275.db2.gz XVFRGPYSRVLEAJ-UHFFFAOYSA-N 0 0 410.851 5.552 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 ZINC000003412632 568898482 /nfs/dbraw/zinc/89/84/82/568898482.db2.gz ZUGSKODBSINUNH-UHFFFAOYSA-N 0 0 410.351 5.474 50 30 HKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Cl)c3Cl)s2)cc1 ZINC000003413417 560594285 /nfs/dbraw/zinc/59/42/85/560594285.db2.gz OCSSTWSRCBBMQY-UHFFFAOYSA-N 0 0 421.334 5.261 50 30 HKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000003413610 560594246 /nfs/dbraw/zinc/59/42/46/560594246.db2.gz CMMZMMVLUHSTQS-UHFFFAOYSA-N 0 0 421.334 5.261 50 30 HKEARN C=CCN(C(=O)c1ccccc1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000003422785 568900129 /nfs/dbraw/zinc/90/01/29/568900129.db2.gz KSPNEDPXVZCGLZ-UHFFFAOYSA-N 0 0 410.542 6.234 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1C1CCCCC1 ZINC000003429638 560594567 /nfs/dbraw/zinc/59/45/67/560594567.db2.gz MXALFLAUHTZJOF-UHFFFAOYSA-N 0 0 417.578 6.154 50 30 HKEARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003429984 568899842 /nfs/dbraw/zinc/89/98/42/568899842.db2.gz ZIZYCXOEMXZIJP-UHFFFAOYSA-N 0 0 406.869 5.213 50 30 HKEARN C=CCn1c(SCc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003430440 568901543 /nfs/dbraw/zinc/90/15/43/568901543.db2.gz ZUUZCTBFCNPNHH-UHFFFAOYSA-N 0 0 418.587 6.220 50 30 HKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)cc1 ZINC000003431187 560594614 /nfs/dbraw/zinc/59/46/14/560594614.db2.gz QBCZTNTYCHZPQC-UHFFFAOYSA-N 0 0 402.504 5.108 50 30 HKEARN C=CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003432892 568859416 /nfs/dbraw/zinc/85/94/16/568859416.db2.gz SEODXEOBWGTUMI-UHFFFAOYSA-N 0 0 412.580 5.327 50 30 HKEARN C=CCSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000003434191 568902548 /nfs/dbraw/zinc/90/25/48/568902548.db2.gz FKFPWXYREFLWQJ-UHFFFAOYSA-N 0 0 404.520 5.284 50 30 HKEARN C=CCn1c(C)cc(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000003439333 568903224 /nfs/dbraw/zinc/90/32/24/568903224.db2.gz HPFYNEBAMYLVPX-UHFFFAOYSA-N 0 0 402.519 5.829 50 30 HKEARN C=CCn1c(SCc2nc3ccccc3nc2C)nc2scc(C3CC3)c2c1=O ZINC000003444461 568904317 /nfs/dbraw/zinc/90/43/17/568904317.db2.gz WCWMIKQIAGLWMW-UHFFFAOYSA-N 0 0 420.563 5.065 50 30 HKEARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(C#N)cc3)c2c1C ZINC000003445903 568859712 /nfs/dbraw/zinc/85/97/12/568859712.db2.gz PAEXSGKKBGYHFB-UHFFFAOYSA-N 0 0 416.531 5.583 50 30 HKEARN N#CCCCSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 ZINC000003449887 568905334 /nfs/dbraw/zinc/90/53/34/568905334.db2.gz PAOWQHSRGPLZEY-UHFFFAOYSA-N 0 0 413.502 5.574 50 30 HKEARN N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1 ZINC000003449980 568905344 /nfs/dbraw/zinc/90/53/44/568905344.db2.gz CFNBEDULJDCZKG-UHFFFAOYSA-N 0 0 409.561 5.045 50 30 aggregator HKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccc(C)c1 ZINC000003456564 560595329 /nfs/dbraw/zinc/59/53/29/560595329.db2.gz RVMCKMZSCNPRRA-UHFFFAOYSA-N 0 0 404.564 5.855 50 30 HKEARN C=CCSC1=N/C(=C\c2cc(Cl)cc(Br)c2OC)C(=O)S1 ZINC000003461140 557488461 /nfs/dbraw/zinc/48/84/61/557488461.db2.gz WMNVAZVZKMKFCJ-WDZFZDKYSA-N 0 0 404.738 5.001 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 ZINC000003461582 557814210 /nfs/dbraw/zinc/81/42/10/557814210.db2.gz AKWKDCVLGGFSMW-QGZVFWFLSA-N 0 0 400.866 5.112 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 ZINC000003461585 568458836 /nfs/dbraw/zinc/45/88/36/568458836.db2.gz AKWKDCVLGGFSMW-KRWDZBQOSA-N 0 0 400.866 5.112 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000003461978 557814006 /nfs/dbraw/zinc/81/40/06/557814006.db2.gz VISBTANKCMTWGW-FQEVSTJZSA-N 0 0 406.511 5.109 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)Nc1ccccc1-2 ZINC000003461984 568430867 /nfs/dbraw/zinc/43/08/67/568430867.db2.gz VISBTANKCMTWGW-HXUWFJFHSA-N 0 0 406.511 5.109 50 30 HKEARN CCOC(=O)c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F ZINC000003467410 568906826 /nfs/dbraw/zinc/90/68/26/568906826.db2.gz YEWWJULWHDOERS-UHFFFAOYSA-N 0 0 405.159 5.248 50 30 HKEARN COc1ccc(Cl)cc1-n1c(SCCCC#N)nnc1-c1cccc(Cl)c1 ZINC000003486939 568908950 /nfs/dbraw/zinc/90/89/50/568908950.db2.gz UJJOWCCCPCJAFU-UHFFFAOYSA-N 0 0 419.337 5.646 50 30 HKEARN COc1ccc(Cl)cc1-n1c(SCCC#N)nnc1-c1cccc(Cl)c1 ZINC000003490963 568909395 /nfs/dbraw/zinc/90/93/95/568909395.db2.gz VWTBSJOPKQJTQC-UHFFFAOYSA-N 0 0 405.310 5.255 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003583832 568917253 /nfs/dbraw/zinc/91/72/53/568917253.db2.gz ZJPVQIBCVGZBCG-UHFFFAOYSA-N 0 0 414.848 6.061 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1 ZINC000003584756 568863770 /nfs/dbraw/zinc/86/37/70/568863770.db2.gz RSKQFSGNCYALGK-UHFFFAOYSA-N 0 0 411.549 7.369 50 30 HKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1F ZINC000003587115 568917853 /nfs/dbraw/zinc/91/78/53/568917853.db2.gz FLNCJFINHACVRN-MFKUBSTISA-N 0 0 408.546 5.121 50 30 HKEARN Cc1ccc(C)c(Cn2cccc2/C=N/NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000003587121 568917807 /nfs/dbraw/zinc/91/78/07/568917807.db2.gz MPYPXULGLLOBRE-ZMOGYAJESA-N 0 0 410.974 5.436 50 30 HKEARN Cc1ccc(C)c(Cn2cccc2/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000003587131 568917833 /nfs/dbraw/zinc/91/78/33/568917833.db2.gz NNFAKTLWSKKQRR-MFKUBSTISA-N 0 0 404.583 5.597 50 30 HKEARN Cc1ccc(C)c(Cn2cccc2/C=N/NC(=S)Nc2c(C)cc(C)cc2C)c1 ZINC000003587148 568917725 /nfs/dbraw/zinc/91/77/25/568917725.db2.gz KVORBQVUMKLFNL-AFUMVMLFSA-N 0 0 404.583 5.399 50 30 HKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1 ZINC000003587186 568917828 /nfs/dbraw/zinc/91/78/28/568917828.db2.gz SDPZEVXEVGHYQT-MFKUBSTISA-N 0 0 408.546 5.121 50 30 HKEARN Cc1cc(C)c(NC(=S)N/N=C/c2cccn2Cc2ccccc2Cl)c(C)c1 ZINC000003587256 568917844 /nfs/dbraw/zinc/91/78/44/568917844.db2.gz HMRFAXLVNSIFPM-ZMOGYAJESA-N 0 0 410.974 5.436 50 30 HKEARN Cc1c(Cl)cccc1NC(=S)N/N=C/c1cccn1Cc1ccccc1Cl ZINC000003587261 568917755 /nfs/dbraw/zinc/91/77/55/568917755.db2.gz FFKLDIDSUIKWBE-FSJBWODESA-N 0 0 417.365 5.472 50 30 HKEARN CC(C)c1ccc(NC(=S)N/N=C/c2cccn2Cc2ccccc2Cl)cc1 ZINC000003587293 568917798 /nfs/dbraw/zinc/91/77/98/568917798.db2.gz LVEAWABMEMFEHG-ZVHZXABRSA-N 0 0 410.974 5.634 50 30 HKEARN Cc1cc(C)c(NC(=S)N/N=C/c2cccn2Cc2cccc(Cl)c2)c(C)c1 ZINC000003587309 568917722 /nfs/dbraw/zinc/91/77/22/568917722.db2.gz WKJRRYDJYXXSII-ZMOGYAJESA-N 0 0 410.974 5.436 50 30 HKEARN CC(C)c1ccc(NC(=S)N/N=C/c2cccn2Cc2cccc(Cl)c2)cc1 ZINC000003587319 568917803 /nfs/dbraw/zinc/91/78/03/568917803.db2.gz PSKUQMZNDJIZRI-ZVHZXABRSA-N 0 0 410.974 5.634 50 30 HKEARN Cc1ccc(NC(=S)N/N=C/c2cccn2Cc2cccc(Cl)c2)cc1Cl ZINC000003587351 568917786 /nfs/dbraw/zinc/91/77/86/568917786.db2.gz PIFRQENZPQVKMG-FSJBWODESA-N 0 0 417.365 5.472 50 30 HKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1cccc(C)c1 ZINC000003587549 568917745 /nfs/dbraw/zinc/91/77/45/568917745.db2.gz PBJRHXFYZBJZHT-PCLIKHOPSA-N 0 0 404.583 5.290 50 30 HKEARN Cc1cccc(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c1C ZINC000003587573 568917790 /nfs/dbraw/zinc/91/77/90/568917790.db2.gz JSBZNBDKCCXNRT-WYMPLXKRSA-N 0 0 414.937 5.266 50 30 HKEARN Cc1ccc(C)c(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c1 ZINC000003587578 568917806 /nfs/dbraw/zinc/91/78/06/568917806.db2.gz RDEINBFGRRHDHY-WYMPLXKRSA-N 0 0 414.937 5.266 50 30 HKEARN CCc1ccccc1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl ZINC000003587587 568917774 /nfs/dbraw/zinc/91/77/74/568917774.db2.gz HQMSZESBDBUIQF-ZMOGYAJESA-N 0 0 414.937 5.212 50 30 HKEARN Cc1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c(C)c1 ZINC000003587599 568917830 /nfs/dbraw/zinc/91/78/30/568917830.db2.gz DQIDIKFFAKPSQU-WYMPLXKRSA-N 0 0 414.937 5.266 50 30 HKEARN Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl ZINC000003587604 568917709 /nfs/dbraw/zinc/91/77/09/568917709.db2.gz KHXQCUCWUOPAIA-WYMPLXKRSA-N 0 0 414.937 5.266 50 30 HKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1C ZINC000003587619 568917815 /nfs/dbraw/zinc/91/78/15/568917815.db2.gz KTVBAYFQBWDRKG-PCLIKHOPSA-N 0 0 404.583 5.290 50 30 HKEARN CCc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccc(Cl)cc1 ZINC000003587738 568917812 /nfs/dbraw/zinc/91/78/12/568917812.db2.gz BUMZOGRPOTVQSA-ZVHZXABRSA-N 0 0 410.974 5.381 50 30 HKEARN N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1SCc1ccccc1 ZINC000003616792 568919779 /nfs/dbraw/zinc/91/97/79/568919779.db2.gz KLTMEDSNKSOIBP-UHFFFAOYSA-N 0 0 409.510 7.435 50 30 HKEARN CC(C)(C)c1cc(Sc2nc(C#N)c(Cl)cc2Cl)cc(C(C)(C)C)c1O ZINC000003618177 568919922 /nfs/dbraw/zinc/91/99/22/568919922.db2.gz BSRJOHYEZKLQQI-UHFFFAOYSA-N 0 0 409.382 6.712 50 30 HKEARN Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000003625002 568920673 /nfs/dbraw/zinc/92/06/73/568920673.db2.gz IQPZRBMDZNAYTK-AWEZNQCLSA-N 0 0 412.624 6.081 50 30 HKEARN Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000003625004 568920669 /nfs/dbraw/zinc/92/06/69/568920669.db2.gz IQPZRBMDZNAYTK-CQSZACIVSA-N 0 0 412.624 6.081 50 30 HKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCC2 ZINC000003625108 568920847 /nfs/dbraw/zinc/92/08/47/568920847.db2.gz FASHUEXFUKRQNM-UHFFFAOYSA-N 0 0 404.922 5.737 50 30 HKEARN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(F)cc1 ZINC000003629232 568864919 /nfs/dbraw/zinc/86/49/19/568864919.db2.gz QUKNNEKYCJOSET-UHFFFAOYSA-N 0 0 409.301 5.007 50 30 HKEARN Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000003633673 569321335 /nfs/dbraw/zinc/32/13/35/569321335.db2.gz NFLBDAHSOQBDLM-OLILMLBXSA-N 0 0 416.524 6.610 50 30 HKEARN Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000003633677 569321331 /nfs/dbraw/zinc/32/13/31/569321331.db2.gz NFLBDAHSOQBDLM-ACSYHNTCSA-N 0 0 416.524 6.610 50 30 HKEARN Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000003633681 568865483 /nfs/dbraw/zinc/86/54/83/568865483.db2.gz NFLBDAHSOQBDLM-WRONEBCDSA-N 0 0 416.524 6.610 50 30 HKEARN Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000003633686 568865501 /nfs/dbraw/zinc/86/55/01/568865501.db2.gz NFLBDAHSOQBDLM-AFJIDDCJSA-N 0 0 416.524 6.610 50 30 HKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1 ZINC000003633829 568921636 /nfs/dbraw/zinc/92/16/36/568921636.db2.gz PSRMTVORJHBXBA-UHFFFAOYSA-N 0 0 402.449 6.189 50 30 HKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000003633847 568921606 /nfs/dbraw/zinc/92/16/06/568921606.db2.gz UFHCKHSFVRJUEO-SANMLTNESA-N 0 0 413.473 5.447 50 30 HKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000003633849 568921587 /nfs/dbraw/zinc/92/15/87/568921587.db2.gz UFHCKHSFVRJUEO-AREMUKBSSA-N 0 0 413.473 5.447 50 30 HKEARN CCCCCCCCOC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000003635751 568921600 /nfs/dbraw/zinc/92/16/00/568921600.db2.gz ISSAJCTVAQLZSW-UHFFFAOYSA-N 0 0 403.478 5.232 50 30 HKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(Cl)cc1 ZINC000003640638 568865363 /nfs/dbraw/zinc/86/53/63/568865363.db2.gz JLJRYNSYFJUDNP-XMHGGMMESA-N 0 0 404.893 6.140 50 30 HKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(Cl)c(C)c1 ZINC000003640642 568865597 /nfs/dbraw/zinc/86/55/97/568865597.db2.gz QUTXDJNVDXOKAP-XSFVSMFZSA-N 0 0 418.920 6.449 50 30 HKEARN O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000003647635 568922220 /nfs/dbraw/zinc/92/22/20/568922220.db2.gz KDVUPZMRZSFOPC-IBGZPJMESA-N 0 0 418.496 5.605 50 30 HKEARN O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000003647637 568922293 /nfs/dbraw/zinc/92/22/93/568922293.db2.gz KDVUPZMRZSFOPC-LJQANCHMSA-N 0 0 418.496 5.605 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/[C@@H](C)c3ccccc3)c(N[C@@H](C)c3ccccc3)nc12 ZINC000003652361 568866525 /nfs/dbraw/zinc/86/65/25/568866525.db2.gz SXHRDXKEEZZFIP-UIOKYTMNSA-N 0 0 410.521 5.356 50 30 HKEARN C=CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655452 568866602 /nfs/dbraw/zinc/86/66/02/568866602.db2.gz HTVHZWBFLJZEAF-UHFFFAOYSA-N 0 0 415.420 5.620 50 30 HKEARN C=CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)cc1 ZINC000003655453 568866686 /nfs/dbraw/zinc/86/66/86/568866686.db2.gz YFLJHJIJGOFQKL-UHFFFAOYSA-N 0 0 411.457 5.789 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1cc(Br)cc2cccnc21 ZINC000003657299 557497166 /nfs/dbraw/zinc/49/71/66/557497166.db2.gz RIKDKZGURUHJIJ-UHFFFAOYSA-N 0 0 405.380 6.857 50 30 HKEARN C=CCc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000003660965 568867162 /nfs/dbraw/zinc/86/71/62/568867162.db2.gz VRRDORNSXARLDE-WGOQTCKBSA-N 0 0 420.350 6.816 50 30 HKEARN Clc1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000003661167 568867235 /nfs/dbraw/zinc/86/72/35/568867235.db2.gz YUAJZWKUVGCQBG-YDZHTSKRSA-N 0 0 400.703 6.432 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cs3)sc2C1 ZINC000003663002 557497354 /nfs/dbraw/zinc/49/73/54/557497354.db2.gz AOGSGSPHFZZOLL-PQDFQZGZSA-N 0 0 407.402 6.345 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cs3)sc2C1 ZINC000003663004 557497356 /nfs/dbraw/zinc/49/73/56/557497356.db2.gz AOGSGSPHFZZOLL-CPOBKIPGSA-N 0 0 407.402 6.345 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)s3)sc2C1 ZINC000003663117 568866959 /nfs/dbraw/zinc/86/69/59/568866959.db2.gz FPUFNJCPPQXDCE-JYQBEENSSA-N 0 0 407.402 6.345 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)s3)sc2C1 ZINC000003663119 568867061 /nfs/dbraw/zinc/86/70/61/568867061.db2.gz FPUFNJCPPQXDCE-OHBSIKEHSA-N 0 0 407.402 6.345 50 30 HKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CCCC2 ZINC000003663584 568866965 /nfs/dbraw/zinc/86/69/65/568866965.db2.gz HPEHQJOCQUMZQC-BHGWPJFGSA-N 0 0 401.318 6.816 50 30 HKEARN Clc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000003663820 568867116 /nfs/dbraw/zinc/86/71/16/568867116.db2.gz MCAZDINBWOGMFC-CVKSISIWSA-N 0 0 408.284 7.796 50 30 HKEARN CC(C)Oc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000003664867 557497341 /nfs/dbraw/zinc/49/73/41/557497341.db2.gz NDNKNSMDPDFLCV-SSDVNMTOSA-N 0 0 403.345 5.799 50 30 HKEARN CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000003664968 568923661 /nfs/dbraw/zinc/92/36/61/568923661.db2.gz KHSKZPANLFHTBL-HNNXBMFYSA-N 0 0 413.593 5.618 50 30 HKEARN CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000003664969 568923593 /nfs/dbraw/zinc/92/35/93/568923593.db2.gz KHSKZPANLFHTBL-OAHLLOKOSA-N 0 0 413.593 5.618 50 30 HKEARN CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000003665980 569321482 /nfs/dbraw/zinc/32/14/82/569321482.db2.gz YYRDUGSLGUBVMO-OBUXZSPNSA-N 0 0 413.546 5.557 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 ZINC000003666202 568867227 /nfs/dbraw/zinc/86/72/27/568867227.db2.gz GGNIWXIKJBJTOO-KBKYJPHKSA-N 0 0 409.766 6.746 50 30 HKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000003666239 568867239 /nfs/dbraw/zinc/86/72/39/568867239.db2.gz JNSGQDXGOZIIKX-YACCPEJUSA-N 0 0 415.474 5.712 50 30 HKEARN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000003666408 557497512 /nfs/dbraw/zinc/49/75/12/557497512.db2.gz LMUSQXHUEFHWAW-FTJNEJEMSA-N 0 0 400.503 5.499 50 30 HKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000003666558 557497785 /nfs/dbraw/zinc/49/77/85/557497785.db2.gz KSYMJHZESAEYSZ-HZHRSRAPSA-N 0 0 414.530 5.774 50 30 HKEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)c1 ZINC000003666568 568924358 /nfs/dbraw/zinc/92/43/58/568924358.db2.gz NAQSKMRTTLRKTJ-JCMHNJIXSA-N 0 0 400.503 5.466 50 30 HKEARN Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c(C)c1 ZINC000003668301 568867344 /nfs/dbraw/zinc/86/73/44/568867344.db2.gz SDSAJQHTERCIJY-DHRITJCHSA-N 0 0 423.006 7.609 50 30 HKEARN COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000003668450 557497791 /nfs/dbraw/zinc/49/77/91/557497791.db2.gz SNJYWSNTYATPIO-FTJNEJEMSA-N 0 0 400.503 5.499 50 30 HKEARN COc1ccc(/N=C(/Sc2nnc(C)s2)c2cccc(Br)c2)cc1 ZINC000003668703 568867348 /nfs/dbraw/zinc/86/73/48/568867348.db2.gz LQHLFSPGIQERAG-KNTRCKAVSA-N 0 0 420.357 5.488 50 30 HKEARN CN(C)c1ccc(/N=C/c2c(Sc3ccccc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003668829 568867372 /nfs/dbraw/zinc/86/73/72/568867372.db2.gz KQUUMQGMHUSWTM-HYARGMPZSA-N 0 0 422.466 5.471 50 30 HKEARN COc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000003669214 568867413 /nfs/dbraw/zinc/86/74/13/568867413.db2.gz JZVXSEVMYXEQSY-AFUMVMLFSA-N 0 0 421.905 6.533 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000003669467 568867323 /nfs/dbraw/zinc/86/73/23/568867323.db2.gz QJLZNBRAXOQWKH-VFCFBJKWSA-N 0 0 408.549 6.445 50 30 HKEARN O=C(NCCc1ccccc1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 ZINC000003671469 568867543 /nfs/dbraw/zinc/86/75/43/568867543.db2.gz PKNQSGHYAFGADI-XPHWPDGNSA-N 0 0 414.574 6.015 50 30 HKEARN CC(C)(C)c1cc(Sc2cc(C#N)c3ccccc3n2)cc(C(C)(C)C)c1Cl ZINC000003672499 568924551 /nfs/dbraw/zinc/92/45/51/568924551.db2.gz YGBSFGLZNUCBAQ-UHFFFAOYSA-N 0 0 408.998 7.506 50 30 HKEARN C=CCN(c1ccccc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000003742132 568925559 /nfs/dbraw/zinc/92/55/59/568925559.db2.gz BZSYMZUXZNHIJP-QHCPKHFHSA-N 0 0 420.896 5.441 50 30 HKEARN C=CCN(c1ccccc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000003742133 568925477 /nfs/dbraw/zinc/92/54/77/568925477.db2.gz BZSYMZUXZNHIJP-HSZRJFAPSA-N 0 0 420.896 5.441 50 30 HKEARN O=C1OC(c2ccccc2)=C(c2ccccc2)[C@]12OC2(c1ccccc1)c1ccccc1 ZINC000003764254 568868114 /nfs/dbraw/zinc/86/81/14/568868114.db2.gz HSCQFBLOXHBPIJ-LJAQVGFWSA-N 0 0 416.476 5.825 50 30 HKEARN O=C1OC(c2ccccc2)=C(c2ccccc2)[C@@]12OC2(c1ccccc1)c1ccccc1 ZINC000003764255 568868025 /nfs/dbraw/zinc/86/80/25/568868025.db2.gz HSCQFBLOXHBPIJ-GDLZYMKVSA-N 0 0 416.476 5.825 50 30 HKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 ZINC000003766391 560734228 /nfs/dbraw/zinc/73/42/28/560734228.db2.gz WUHHLYCHPAHQAW-WGOQTCKBSA-N 0 0 404.535 5.316 50 30 HKEARN O=c1c(C=[NH+]CCc2ccccc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000003768128 568926164 /nfs/dbraw/zinc/92/61/64/568926164.db2.gz YXNDBRFQHLQFLX-ONUIUJJFSA-N 0 0 424.529 5.104 50 30 HKEARN COc1ccc(-c2cs/c(=N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 ZINC000003768254 568868112 /nfs/dbraw/zinc/86/81/12/568868112.db2.gz HILUODOUJOURGL-FIQAPGBDSA-N 0 0 411.530 5.814 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000003769422 568963116 /nfs/dbraw/zinc/96/31/16/568963116.db2.gz URNFQNBHXPVDBZ-WQRHYEAKSA-N 0 0 420.317 5.795 50 30 HKEARN C=CCn1c2ccc(C#Cc3ccccc3)cc2c2cc(C#Cc3ccccc3)ccc21 ZINC000003771333 568963152 /nfs/dbraw/zinc/96/31/52/568963152.db2.gz VVUNLFYAIHDNPI-UHFFFAOYSA-N 0 0 407.516 6.780 50 30 HKEARN C=CCNC(=S)NCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Cl)ccc2Cl ZINC000003771340 568963138 /nfs/dbraw/zinc/96/31/38/568963138.db2.gz KNQLRGBELUGZTL-UHFFFAOYSA-N 0 0 422.356 5.473 50 30 HKEARN C=CCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000003771735 568868176 /nfs/dbraw/zinc/86/81/76/568868176.db2.gz GHWYGXUCWDDEPA-SANMLTNESA-N 0 0 416.590 5.655 50 30 HKEARN C=CCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000003771736 568868256 /nfs/dbraw/zinc/86/82/56/568868256.db2.gz GHWYGXUCWDDEPA-AREMUKBSSA-N 0 0 416.590 5.655 50 30 HKEARN N#Cc1c(/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)sc2c1CCCC2 ZINC000003772450 560734244 /nfs/dbraw/zinc/73/42/44/560734244.db2.gz IHBDMQRWQKIIST-WKULSOCRSA-N 0 0 420.541 6.124 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000003856089 557501378 /nfs/dbraw/zinc/50/13/78/557501378.db2.gz PJIIRUCKTWKHRJ-UPCLLVRISA-N 0 0 402.519 5.736 50 30 HKEARN CC(C)(C)c1cc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc(C(C)(C)C)c1O ZINC000003860466 568869068 /nfs/dbraw/zinc/86/90/68/568869068.db2.gz HRLDHROCDBYHAU-UHFFFAOYSA-N 0 0 422.653 7.898 50 30 HKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000003872177 557501850 /nfs/dbraw/zinc/50/18/50/557501850.db2.gz KAATUXNTWXVJKI-HBFSDRIKSA-N 0 0 416.304 6.178 50 30 world HKEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000003872178 557501861 /nfs/dbraw/zinc/50/18/61/557501861.db2.gz KAATUXNTWXVJKI-BJLQDIEVSA-N 0 0 416.304 6.178 50 30 world HKEARN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003876080 568737234 /nfs/dbraw/zinc/73/72/34/568737234.db2.gz VOCBWIIFXDYGNZ-IXKNJLPQSA-N 0 0 400.603 6.401 50 30 world HKEARN Cc1cc(NN(Cc2ccccc2)Cc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000003877910 568928015 /nfs/dbraw/zinc/92/80/15/568928015.db2.gz OUZGNFORXVWPPN-UHFFFAOYSA-N 0 0 417.516 5.697 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000003880179 569321466 /nfs/dbraw/zinc/32/14/66/569321466.db2.gz FYSVTOIULMTRSN-SGNDLWITSA-N 0 0 421.525 5.341 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000003880183 569321433 /nfs/dbraw/zinc/32/14/33/569321433.db2.gz FYSVTOIULMTRSN-SMIHKQSGSA-N 0 0 421.525 5.341 50 30 HKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000003881605 569060731 /nfs/dbraw/zinc/06/07/31/569060731.db2.gz HHSXYDOROIURIP-FEZCWRLCSA-N 0 0 420.593 6.063 50 30 in-man HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O ZINC000003921872 568963279 /nfs/dbraw/zinc/96/32/79/568963279.db2.gz LWQQLNNNIPYSNX-UROSTWAQSA-N 0 0 412.614 5.091 50 30 fda HKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1O ZINC000003961017 568930678 /nfs/dbraw/zinc/93/06/78/568930678.db2.gz WEOPZYGNYPSDHN-BUVRLJJBSA-N 0 0 401.491 5.637 50 30 HKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(Oc4ccccc4)c3)n2)c1 ZINC000003961676 568930717 /nfs/dbraw/zinc/93/07/17/568930717.db2.gz PCAGGMXELFQTTF-UHFFFAOYSA-N 0 0 416.462 5.957 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000003990209 557504335 /nfs/dbraw/zinc/50/43/35/557504335.db2.gz CXFWTZCBJDCDLL-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Br)cc3)ccc21 ZINC000003995769 568931616 /nfs/dbraw/zinc/93/16/16/568931616.db2.gz SQWDZMRXZCBNFK-RIYZIHGNSA-N 0 0 404.307 6.473 50 30 HKEARN COC(=O)c1sccc1-c1ccc(/C=N/OCc2ccc(Cl)c(Cl)c2)o1 ZINC000004001876 557504559 /nfs/dbraw/zinc/50/45/59/557504559.db2.gz SZINKJSOFQRJRN-ZVBGSRNCSA-N 0 0 410.278 5.652 50 30 HKEARN COC(=O)c1sccc1-c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)o1 ZINC000004001885 557504567 /nfs/dbraw/zinc/50/45/67/557504567.db2.gz DPAXQIMKYKBABP-ZVBGSRNCSA-N 0 0 410.278 5.652 50 30 HKEARN FC(F)(F)c1cnc(CN=Nc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000004002055 568932652 /nfs/dbraw/zinc/93/26/52/568932652.db2.gz UNTOBQYLQFFRDS-ZXKDJJQISA-N 0 0 403.113 5.267 50 30 HKEARN C/C(=N\Oc1cccc(O/N=C(\C)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000004002269 568932831 /nfs/dbraw/zinc/93/28/31/568932831.db2.gz AZMOQSUBTCMOLC-LVSXPEEVSA-N 0 0 414.292 5.994 50 30 HKEARN N#Cc1cccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000004002706 568932870 /nfs/dbraw/zinc/93/28/70/568932870.db2.gz ANARDNCVOBDTGW-PKNBQFBNSA-N 0 0 404.300 6.433 50 30 HKEARN N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004002811 568932828 /nfs/dbraw/zinc/93/28/28/568932828.db2.gz HGIPDXVPKVVTFE-ZRDIBKRKSA-N 0 0 404.300 6.433 50 30 HKEARN Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004003179 568932862 /nfs/dbraw/zinc/93/28/62/568932862.db2.gz QERUAXCCVISAJM-MFKUBSTISA-N 0 0 403.551 6.219 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCOCC1 ZINC000004004515 568933047 /nfs/dbraw/zinc/93/30/47/568933047.db2.gz OPIRGIBTJAHFDR-BUVRLJJBSA-N 0 0 401.422 5.081 50 30 HKEARN O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 ZINC000004004539 568932976 /nfs/dbraw/zinc/93/29/76/568932976.db2.gz YYZUDBGFLYKITD-BUVRLJJBSA-N 0 0 401.422 5.081 50 30 HKEARN COc1ccc([C@H]2Nc3c4ccccc4ccc3C3=C2CC(C)(C)CC3=O)cc1OC ZINC000004007966 557504818 /nfs/dbraw/zinc/50/48/18/557504818.db2.gz FIKDPTJTESVIPF-RUZDIDTESA-N 0 0 413.517 6.167 50 30 HKEARN Cc1ccc(CO/N=C/c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)cc1 ZINC000004013242 568933332 /nfs/dbraw/zinc/93/33/32/568933332.db2.gz QNDLRJYMVQKFMH-YZSQISJMSA-N 0 0 413.546 6.097 50 30 HKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2cccc(F)c2)c1Sc1ccccc1 ZINC000004013245 568933353 /nfs/dbraw/zinc/93/33/53/568933353.db2.gz VGEVUIKOYUPHKE-WGOQTCKBSA-N 0 0 417.509 5.928 50 30 HKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(F)cc2)c1Sc1ccccc1 ZINC000004013249 568933431 /nfs/dbraw/zinc/93/34/31/568933431.db2.gz AEZUHFMRPXALCB-WGOQTCKBSA-N 0 0 417.509 5.928 50 30 HKEARN N#Cc1c(Cl)nc(SCc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000004013273 568933440 /nfs/dbraw/zinc/93/34/40/568933440.db2.gz ANZPFMKHOIGHPF-UHFFFAOYSA-N 0 0 406.725 6.268 50 30 HKEARN Clc1ccc(CO/N=C/c2cc3c(cc2Br)OCO3)c(Cl)c1 ZINC000004014006 568933631 /nfs/dbraw/zinc/93/36/31/568933631.db2.gz ADVGKTUAWDAOSL-KPSZGOFPSA-N 0 0 403.059 5.035 50 30 HKEARN N#CCSc1sc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000004014216 568933515 /nfs/dbraw/zinc/93/35/15/568933515.db2.gz PFCBJSADTDTJNR-UHFFFAOYSA-N 0 0 409.923 5.808 50 30 aggregator HKEARN O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N\OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004014488 568933509 /nfs/dbraw/zinc/93/35/09/568933509.db2.gz DDXJTNNYJDQXBU-AXNLMSORSA-N 0 0 403.822 5.387 50 30 HKEARN O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N\OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004014492 568933593 /nfs/dbraw/zinc/93/35/93/568933593.db2.gz DDXJTNNYJDQXBU-QMWCZEAPSA-N 0 0 403.822 5.387 50 30 HKEARN CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)c3c(c2C#N)CCCC3)cc1 ZINC000004014568 568933569 /nfs/dbraw/zinc/93/35/69/568933569.db2.gz IWEGKXWHCGEQPD-UHFFFAOYSA-N 0 0 412.602 7.089 50 30 HKEARN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\Cc2ccccc2)N(CC)C1=O ZINC000004015099 568933629 /nfs/dbraw/zinc/93/36/29/568933629.db2.gz GMUBYJOUBAQMEW-SZKCCIEUSA-N 0 0 421.591 5.495 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccc(F)cc1 ZINC000004023225 568933830 /nfs/dbraw/zinc/93/38/30/568933830.db2.gz XZPGAROSGKQXQY-GSUJIKEXSA-N 0 0 424.487 5.738 50 30 biogenic HKEARN Brc1ccc(-c2nc3sccn3c2/C=N/OCc2ccccc2)cc1 ZINC000004023513 568933665 /nfs/dbraw/zinc/93/36/65/568933665.db2.gz OQLHEHAUISMQAE-CIAFOILYSA-N 0 0 412.312 5.376 50 30 HKEARN O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccn1 ZINC000004023516 568933668 /nfs/dbraw/zinc/93/36/68/568933668.db2.gz NPTBGLYTRHJJMU-CMDGGOBGSA-N 0 0 410.296 5.116 50 30 HKEARN C#CCn1c(SCc2cccc(Cl)c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000004023650 568933905 /nfs/dbraw/zinc/93/39/05/568933905.db2.gz MCUCXBTYLKWOOA-UHFFFAOYSA-N 0 0 414.961 6.796 50 30 HKEARN COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2cc3ccccc3o2)c1 ZINC000004023790 568933933 /nfs/dbraw/zinc/93/39/33/568933933.db2.gz AYYGMWCLPFVXNW-RPBOFIJWSA-N 0 0 400.430 5.343 50 30 biogenic HKEARN C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1sc2nc3ccccc3n2c1C ZINC000004024097 568877953 /nfs/dbraw/zinc/87/79/53/568877953.db2.gz VVBKESQNPHWIPQ-FOKLQQMPSA-N 0 0 404.322 6.105 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000004024258 568877924 /nfs/dbraw/zinc/87/79/24/568877924.db2.gz RYZOQJGBGALJTK-BNONEXONSA-N 0 0 403.680 6.501 50 30 biogenic HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000004024259 568877948 /nfs/dbraw/zinc/87/79/48/568877948.db2.gz RYZOQJGBGALJTK-HQPWQNDLSA-N 0 0 403.680 6.501 50 30 biogenic HKEARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2/C=N/OC(=O)c1ccc(F)cc1 ZINC000004024640 568933908 /nfs/dbraw/zinc/93/39/08/568933908.db2.gz KKFPUKAYUQSHKC-DHRITJCHSA-N 0 0 407.832 5.293 50 30 HKEARN COc1ccc(C(=O)/C=C/c2cc3ccoc3cc2OC)c(OCc2ccccc2)c1 ZINC000004024701 568933983 /nfs/dbraw/zinc/93/39/83/568933983.db2.gz IFMHHDXNTHAISK-DHZHZOJOSA-N 0 0 414.457 5.925 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000004025712 568877962 /nfs/dbraw/zinc/87/79/62/568877962.db2.gz SNOJHUGTPWMMOU-OBTVHEKISA-N 0 0 408.501 5.196 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000004025713 568877974 /nfs/dbraw/zinc/87/79/74/568877974.db2.gz SNOJHUGTPWMMOU-NOTUOJBMSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c(OCc2ccccc2)c1 ZINC000004026596 569060759 /nfs/dbraw/zinc/06/07/59/569060759.db2.gz VJLHVRRFIKSNLW-XYOKQWHBSA-N 0 0 416.473 5.332 50 30 biogenic HKEARN C=C(C)[C@@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)OC ZINC000004027197 568878146 /nfs/dbraw/zinc/87/81/46/568878146.db2.gz OAUDKNYNNMXLHJ-WATLYSKOSA-N 0 0 410.510 5.290 50 30 biogenic HKEARN O=C1[C@@H](C[C@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 ZINC000004027769 568878308 /nfs/dbraw/zinc/87/83/08/568878308.db2.gz SRXHLHLYMDYESA-WHBJXLRSSA-N 0 0 400.559 5.059 50 30 biogenic HKEARN CCc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004032165 557506318 /nfs/dbraw/zinc/50/63/18/557506318.db2.gz JQSHDIRKKPTSLY-QHCPKHFHSA-N 0 0 407.554 5.339 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004032166 557506210 /nfs/dbraw/zinc/50/62/10/557506210.db2.gz JQSHDIRKKPTSLY-HSZRJFAPSA-N 0 0 407.554 5.339 50 30 HKEARN COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000004032355 557506272 /nfs/dbraw/zinc/50/62/72/557506272.db2.gz TYMZHGWQKNSESY-SDNWHVSQSA-N 0 0 415.876 5.753 50 30 HKEARN COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000004038207 568879909 /nfs/dbraw/zinc/87/99/09/568879909.db2.gz DMMKWQUGVIDQLW-QGOAFFKASA-N 0 0 415.445 5.277 50 30 biogenic HKEARN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004038408 568935788 /nfs/dbraw/zinc/93/57/88/568935788.db2.gz FPWGOQQIWJWEEO-ALCSVYSWSA-N 0 0 410.686 8.009 50 30 biogenic HKEARN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004038409 568935797 /nfs/dbraw/zinc/93/57/97/568935797.db2.gz FPWGOQQIWJWEEO-ZHQLMMCASA-N 0 0 410.686 8.009 50 30 biogenic HKEARN COc1cccc(C(=O)Oc2ccc(C)cc2C(=O)/C=C/c2ccccc2OC)c1 ZINC000004039142 568880027 /nfs/dbraw/zinc/88/00/27/568880027.db2.gz FUHGVPWCAPVBAI-OUKQBFOZSA-N 0 0 402.446 5.128 50 30 biogenic HKEARN O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 ZINC000004039265 569060796 /nfs/dbraw/zinc/06/07/96/569060796.db2.gz FTZRGJJTVFVWMO-WXUKJITCSA-N 0 0 416.480 6.441 50 30 biogenic HKEARN COc1cc(OC)c(OC)cc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000004039988 568880058 /nfs/dbraw/zinc/88/00/58/568880058.db2.gz MHWNMTWVHHVCKU-QGOAFFKASA-N 0 0 415.445 5.277 50 30 biogenic HKEARN COc1ccc(C(=O)/C=C/c2ccccc2OC)c(OC(=O)c2ccccc2C)c1 ZINC000004040263 568880032 /nfs/dbraw/zinc/88/00/32/568880032.db2.gz SFBIPDQOPNSKCD-NTCAYCPXSA-N 0 0 402.446 5.128 50 30 biogenic HKEARN Cc1ccccc1C(=O)Nc1cc(C#N)ccc1Sc1c(Cl)cccc1Cl ZINC000004041834 568935935 /nfs/dbraw/zinc/93/59/35/568935935.db2.gz DLTGJICYHXSVRQ-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN Cc1ccc(-c2nc(SCc3ccccc3)nc(NC3CCCCC3)c2C#N)cc1 ZINC000004042144 568935825 /nfs/dbraw/zinc/93/58/25/568935825.db2.gz GITQXLDQMIIQOQ-UHFFFAOYSA-N 0 0 414.578 6.361 50 30 HKEARN CCN(CC)c1nc(SCc2ccccc2Cl)nc(-c2ccccc2)c1C#N ZINC000004042153 568935822 /nfs/dbraw/zinc/93/58/22/568935822.db2.gz AIWYUQASAMKWMJ-UHFFFAOYSA-N 0 0 408.958 5.807 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000004042517 557507521 /nfs/dbraw/zinc/50/75/21/557507521.db2.gz JISHOKNCLQUPRG-CYXNTTPDSA-N 0 0 415.496 5.279 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000004042520 568935897 /nfs/dbraw/zinc/93/58/97/568935897.db2.gz JISHOKNCLQUPRG-NXCFDTQHSA-N 0 0 415.496 5.279 50 30 HKEARN CCCCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@@H]1C#Cc1ccccc1 ZINC000004043716 568963362 /nfs/dbraw/zinc/96/33/62/568963362.db2.gz XFIWTMMYLFKXHK-PMERELPUSA-N 0 0 414.552 6.816 50 30 HKEARN CCCCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@H]1C#Cc1ccccc1 ZINC000004043718 568963277 /nfs/dbraw/zinc/96/32/77/568963277.db2.gz XFIWTMMYLFKXHK-SSEXGKCCSA-N 0 0 414.552 6.816 50 30 HKEARN CCN(CC)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004044538 557507509 /nfs/dbraw/zinc/50/75/09/557507509.db2.gz DMUATNJCNZILTN-AREMUKBSSA-N 0 0 424.588 6.887 50 30 HKEARN CCN(CC)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004044540 557507503 /nfs/dbraw/zinc/50/75/03/557507503.db2.gz DMUATNJCNZILTN-SANMLTNESA-N 0 0 424.588 6.887 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1Cl ZINC000004045017 557507401 /nfs/dbraw/zinc/50/74/01/557507401.db2.gz UIAXPGNKRBBTBN-HSZRJFAPSA-N 0 0 422.355 7.347 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000004045019 557507405 /nfs/dbraw/zinc/50/74/05/557507405.db2.gz UIAXPGNKRBBTBN-QHCPKHFHSA-N 0 0 422.355 7.347 50 30 HKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2ccccc2)n1 ZINC000004046251 568879988 /nfs/dbraw/zinc/87/99/88/568879988.db2.gz DQTIHDOHERNSTB-UHFFFAOYSA-N 0 0 401.535 5.649 50 30 HKEARN Cc1ccc(C(=O)CSc2nc(C(C)(C)C)cc(-c3ccccc3)c2C#N)cc1C ZINC000004046297 568880044 /nfs/dbraw/zinc/88/00/44/568880044.db2.gz UXARFMWIQDFKLF-UHFFFAOYSA-N 0 0 414.574 6.510 50 30 HKEARN CC(C)(C)c1ccc(CSc2nc(C(C)(C)C)cc(-c3ccccc3)c2C#N)cc1 ZINC000004046380 568880029 /nfs/dbraw/zinc/88/00/29/568880029.db2.gz JJRKIEOGUXXMHI-UHFFFAOYSA-N 0 0 414.618 7.508 50 30 HKEARN C[C@H](Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 ZINC000004046385 568880056 /nfs/dbraw/zinc/88/00/56/568880056.db2.gz DTPYHMNZPRRKEO-KRWDZBQOSA-N 0 0 415.562 6.037 50 30 aggregator HKEARN C[C@@H](Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 ZINC000004046387 568880004 /nfs/dbraw/zinc/88/00/04/568880004.db2.gz DTPYHMNZPRRKEO-QGZVFWFLSA-N 0 0 415.562 6.037 50 30 aggregator HKEARN C=CCN1C=C(c2ccc3ccccc3n2)[C@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000004046852 568880350 /nfs/dbraw/zinc/88/03/50/568880350.db2.gz SPYYPFCUAFMNAH-LJAQVGFWSA-N 0 0 413.524 6.895 50 30 HKEARN C=CCN1C=C(c2ccc3ccccc3n2)[C@@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000004046853 568880369 /nfs/dbraw/zinc/88/03/69/568880369.db2.gz SPYYPFCUAFMNAH-GDLZYMKVSA-N 0 0 413.524 6.895 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 ZINC000004047451 568880370 /nfs/dbraw/zinc/88/03/70/568880370.db2.gz BWJAZSVXINQMIY-QFIPXVFZSA-N 0 0 414.471 6.544 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 ZINC000004047455 568880332 /nfs/dbraw/zinc/88/03/32/568880332.db2.gz BWJAZSVXINQMIY-JOCHJYFZSA-N 0 0 414.471 6.544 50 30 HKEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000004047971 568880371 /nfs/dbraw/zinc/88/03/71/568880371.db2.gz BFXKJFLZGWABFK-LSFURLLWSA-N 0 0 404.257 5.150 50 30 HKEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000004047981 568880401 /nfs/dbraw/zinc/88/04/01/568880401.db2.gz OGGFWWNLQHJYIG-CVKSISIWSA-N 0 0 411.465 5.510 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 ZINC000004048027 568880374 /nfs/dbraw/zinc/88/03/74/568880374.db2.gz GNLNGRQQSUMEQL-AUEPDCJTSA-N 0 0 417.252 5.322 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004048062 557507663 /nfs/dbraw/zinc/50/76/63/557507663.db2.gz LBDGNQDZCDBQQN-QFIPXVFZSA-N 0 0 415.364 6.832 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004048063 557507760 /nfs/dbraw/zinc/50/77/60/557507760.db2.gz LBDGNQDZCDBQQN-JOCHJYFZSA-N 0 0 415.364 6.832 50 30 HKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004048068 557507745 /nfs/dbraw/zinc/50/77/45/557507745.db2.gz FHGYXJXNZVJCOO-RBTNQOKQSA-N 0 0 424.544 6.455 50 30 HKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004048069 557507732 /nfs/dbraw/zinc/50/77/32/557507732.db2.gz FHGYXJXNZVJCOO-KMRXNPHXSA-N 0 0 424.544 6.455 50 30 HKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004048070 557507669 /nfs/dbraw/zinc/50/76/69/557507669.db2.gz FHGYXJXNZVJCOO-LYZGTLIUSA-N 0 0 424.544 6.455 50 30 HKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004048071 557507647 /nfs/dbraw/zinc/50/76/47/557507647.db2.gz FHGYXJXNZVJCOO-PIKZIKFNSA-N 0 0 424.544 6.455 50 30 HKEARN C=CCN1C(=O)/C(=C(\C=C2/Sc3ccc(OC)cc3N2CC)CC)SC1=S ZINC000004048098 568880343 /nfs/dbraw/zinc/88/03/43/568880343.db2.gz UAYYRLFOAABIJR-YIMYCEAYSA-N 0 0 418.609 5.179 50 30 HKEARN CCSC1=N/C(=C(/C=C2\Sc3ccc(OC)cc3N2CC)CC)C(=O)S1 ZINC000004048106 568880392 /nfs/dbraw/zinc/88/03/92/568880392.db2.gz LQWRCMLKBZMTQZ-OGLSOCIUSA-N 0 0 406.598 5.515 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004048148 557507767 /nfs/dbraw/zinc/50/77/67/557507767.db2.gz LLZZVEUQCQJPFU-QFIPXVFZSA-N 0 0 414.471 6.544 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004048149 557507748 /nfs/dbraw/zinc/50/77/48/557507748.db2.gz LLZZVEUQCQJPFU-JOCHJYFZSA-N 0 0 414.471 6.544 50 30 HKEARN N#CCSc1sc2c(ncnc2Oc2ccc(Cl)cc2)c1-c1ccccc1 ZINC000004050357 568880602 /nfs/dbraw/zinc/88/06/02/568880602.db2.gz IQUVXMQPXJYAHQ-UHFFFAOYSA-N 0 0 409.923 6.420 50 30 HKEARN C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C ZINC000004050431 568936435 /nfs/dbraw/zinc/93/64/35/568936435.db2.gz XAWKBHAPTFFWHC-DHRITJCHSA-N 0 0 404.413 5.718 50 30 HKEARN C/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1sc(-c2ccccc2)nc1C ZINC000004050433 568936416 /nfs/dbraw/zinc/93/64/16/568936416.db2.gz ZNIMWZDONKLAFZ-FSJBWODESA-N 0 0 405.306 6.006 50 30 HKEARN C/C(=N/OCc1c(Cl)cccc1Cl)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051072 568880512 /nfs/dbraw/zinc/88/05/12/568880512.db2.gz ROHKZLGVFRPRIG-QQXSKIMKSA-N 0 0 411.332 6.454 50 30 HKEARN C/C(=N/OCc1ccc(C(F)(F)F)cc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051081 568880597 /nfs/dbraw/zinc/88/05/97/568880597.db2.gz SQNCFVGJRYHQCD-QRQIAZFYSA-N 0 0 410.439 6.166 50 30 HKEARN C/C(=N/OCc1cccc(C(F)(F)F)c1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000004051083 568880592 /nfs/dbraw/zinc/88/05/92/568880592.db2.gz DGYNESCKURYOLT-QRQIAZFYSA-N 0 0 410.439 6.166 50 30 HKEARN CC(C)(C)c1ccc(-c2nc(SCc3ccc(F)cc3)c(C#N)c3c2CCC3)cc1 ZINC000004051676 568936503 /nfs/dbraw/zinc/93/65/03/568936503.db2.gz JNZVERGFEIFTQA-UHFFFAOYSA-N 0 0 416.565 6.838 50 30 HKEARN N#Cc1c(SCc2cccc(F)c2)nc(-c2ccc(Cl)cc2)c2c1CCCC2 ZINC000004051688 568936618 /nfs/dbraw/zinc/93/66/18/568936618.db2.gz UENGEWGHQUXUPG-UHFFFAOYSA-N 0 0 408.929 6.584 50 30 HKEARN O=C(/C=C/c1ccncc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000004051991 568936605 /nfs/dbraw/zinc/93/66/05/568936605.db2.gz ZLIDHFJRIVUMBG-LZCJLJQNSA-N 0 0 404.775 5.837 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1c(O)ccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000004052429 568936592 /nfs/dbraw/zinc/93/65/92/568936592.db2.gz JZIOHWARPXGHTM-SANMLTNESA-N 0 0 412.533 6.384 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1c(O)ccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000004052430 568936561 /nfs/dbraw/zinc/93/65/61/568936561.db2.gz JZIOHWARPXGHTM-AREMUKBSSA-N 0 0 412.533 6.384 50 30 HKEARN COc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000004052458 568936511 /nfs/dbraw/zinc/93/65/11/568936511.db2.gz MYXNMACSKQTIQW-UHFFFAOYSA-N 0 0 404.775 6.093 50 30 HKEARN N#Cc1c2c(c(-c3cccc(C(F)(F)F)c3)nc1SCc1ccccc1)CCC2 ZINC000004052525 568936491 /nfs/dbraw/zinc/93/64/91/568936491.db2.gz CMLVJGKAMRULDD-UHFFFAOYSA-N 0 0 410.464 6.420 50 30 HKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(N=NC=CCc3ccccc3)nc2n1 ZINC000004052702 568880698 /nfs/dbraw/zinc/88/06/98/568880698.db2.gz JWUVYKHWSZQPBU-CVMCHQOBSA-N 0 0 410.321 5.779 50 30 HKEARN Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000004052738 568880721 /nfs/dbraw/zinc/88/07/21/568880721.db2.gz CAOCDKSZUMHVCU-UHFFFAOYSA-N 0 0 404.844 6.752 50 30 HKEARN Cc1ccc(Sc2nc(-c3ccccc3Cl)cc(C(F)(F)F)c2C#N)cc1 ZINC000004052739 568880732 /nfs/dbraw/zinc/88/07/32/568880732.db2.gz PODBGTFKAJSILR-UHFFFAOYSA-N 0 0 404.844 6.752 50 30 HKEARN COc1ccc(Oc2nc(-c3ccccc3Cl)cc(C(F)(F)F)c2C#N)cc1 ZINC000004052740 568880691 /nfs/dbraw/zinc/88/06/91/568880691.db2.gz YZFPEKHROXGDGG-UHFFFAOYSA-N 0 0 404.775 6.093 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000004053430 568880787 /nfs/dbraw/zinc/88/07/87/568880787.db2.gz XYQAZBTXNQMEGU-UHFFFAOYSA-N 0 0 403.201 6.069 50 30 HKEARN N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1cccs1 ZINC000004058084 568936743 /nfs/dbraw/zinc/93/67/43/568936743.db2.gz RLXHNPXLGYHYLL-UHFFFAOYSA-N 0 0 413.506 5.521 50 30 HKEARN N#CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 ZINC000004058785 568880916 /nfs/dbraw/zinc/88/09/16/568880916.db2.gz RRCAYOALZQQKAA-UHFFFAOYSA-N 0 0 411.530 5.694 50 30 HKEARN CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 ZINC000004058787 568880846 /nfs/dbraw/zinc/88/08/46/568880846.db2.gz IHRNNUBHYRKBPZ-UHFFFAOYSA-N 0 0 400.547 6.190 50 30 HKEARN CCCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 ZINC000004058788 568880897 /nfs/dbraw/zinc/88/08/97/568880897.db2.gz PCFVKULZSIUTNB-UHFFFAOYSA-N 0 0 414.574 6.580 50 30 HKEARN Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc4cccnc4c3)c(-c3ccccc3)c2c1 ZINC000004058932 568880851 /nfs/dbraw/zinc/88/08/51/568880851.db2.gz BBWFOZCNDLIVLM-NTCAYCPXSA-N 0 0 414.508 6.963 50 30 HKEARN C/C(=N/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000004059027 568880918 /nfs/dbraw/zinc/88/09/18/568880918.db2.gz MOOXRNCKGXUARD-QSEVEHSSSA-N 0 0 403.938 6.184 50 30 HKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(CC)NC2=C1C(=O)CC(C)(C)C2 ZINC000004059946 557508175 /nfs/dbraw/zinc/50/81/75/557508175.db2.gz ZMNSXSNGHMIMKZ-OAQYLSRUSA-N 0 0 411.542 5.033 50 30 HKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(CC)NC2=C1C(=O)CC(C)(C)C2 ZINC000004059948 557508155 /nfs/dbraw/zinc/50/81/55/557508155.db2.gz ZMNSXSNGHMIMKZ-NRFANRHFSA-N 0 0 411.542 5.033 50 30 HKEARN Cc1ccccc1Sc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000004060093 568881046 /nfs/dbraw/zinc/88/10/46/568881046.db2.gz SHRNKOHMUJIIRN-UHFFFAOYSA-N 0 0 412.436 6.289 50 30 HKEARN CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C#N)c1NC(=O)c1ccccc1Cl ZINC000004060158 568881036 /nfs/dbraw/zinc/88/10/36/568881036.db2.gz URLSOUOSMQNBMG-UHFFFAOYSA-N 0 0 413.308 5.736 50 30 HKEARN COc1ccc(C(=O)Nc2c(C#N)c(-c3ccc(Cl)cc3)nn2C(C)(C)C)cc1 ZINC000004060159 568881038 /nfs/dbraw/zinc/88/10/38/568881038.db2.gz PTHVJOQLPIWLDA-UHFFFAOYSA-N 0 0 408.889 5.091 50 30 HKEARN Cc1ccc(CSc2nc(NC3CCCCC3)c(C#N)c(-c3ccccc3)n2)cc1 ZINC000004060178 568881075 /nfs/dbraw/zinc/88/10/75/568881075.db2.gz FQXDTUBEHNZGJH-UHFFFAOYSA-N 0 0 414.578 6.361 50 30 HKEARN CNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N ZINC000004060183 568881089 /nfs/dbraw/zinc/88/10/89/568881089.db2.gz OEVWUSSQVWPVOI-UHFFFAOYSA-N 0 0 401.322 5.656 50 30 HKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004060507 557508413 /nfs/dbraw/zinc/50/84/13/557508413.db2.gz MWOYFIQIDIYYBC-QFIPXVFZSA-N 0 0 411.542 5.031 50 30 HKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004060511 557508366 /nfs/dbraw/zinc/50/83/66/557508366.db2.gz MWOYFIQIDIYYBC-JOCHJYFZSA-N 0 0 411.542 5.031 50 30 HKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@@H]3CC[C@]12C ZINC000004061009 568937170 /nfs/dbraw/zinc/93/71/70/568937170.db2.gz OZJGJSHDHAGQJH-KYNPQDLTSA-N 0 0 400.647 6.568 50 30 biogenic HKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@@H]3CC[C@]12C ZINC000004061011 568937096 /nfs/dbraw/zinc/93/70/96/568937096.db2.gz OZJGJSHDHAGQJH-RJBPHWKSSA-N 0 0 400.647 6.568 50 30 biogenic HKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@]12C ZINC000004061012 568937222 /nfs/dbraw/zinc/93/72/22/568937222.db2.gz OZJGJSHDHAGQJH-FTLVODPJSA-N 0 0 400.647 6.568 50 30 biogenic HKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@]12C ZINC000004061013 568937059 /nfs/dbraw/zinc/93/70/59/568937059.db2.gz OZJGJSHDHAGQJH-UUQQXYDHSA-N 0 0 400.647 6.568 50 30 biogenic HKEARN CCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061127 557508629 /nfs/dbraw/zinc/50/86/29/557508629.db2.gz RYXLVMWPFVPNRR-QHCPKHFHSA-N 0 0 423.553 5.175 50 30 HKEARN CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061139 557508581 /nfs/dbraw/zinc/50/85/81/557508581.db2.gz RYXLVMWPFVPNRR-HSZRJFAPSA-N 0 0 423.553 5.175 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061892 557508877 /nfs/dbraw/zinc/50/88/77/557508877.db2.gz KMFVNFXVGWOUQZ-QHCPKHFHSA-N 0 0 407.554 5.475 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061900 557508930 /nfs/dbraw/zinc/50/89/30/557508930.db2.gz KMFVNFXVGWOUQZ-HSZRJFAPSA-N 0 0 407.554 5.475 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCCC ZINC000004062503 557508852 /nfs/dbraw/zinc/50/88/52/557508852.db2.gz HAYQMNTZZQUFKX-QHCPKHFHSA-N 0 0 411.542 5.177 50 30 HKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCCC ZINC000004062511 557508906 /nfs/dbraw/zinc/50/89/06/557508906.db2.gz HAYQMNTZZQUFKX-HSZRJFAPSA-N 0 0 411.542 5.177 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004063337 557508972 /nfs/dbraw/zinc/50/89/72/557508972.db2.gz IWUCDNHHKSXSPN-AFMDSPMNSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004063343 557508934 /nfs/dbraw/zinc/50/89/34/557508934.db2.gz IWUCDNHHKSXSPN-SIBVEZHUSA-N 0 0 414.936 6.628 50 30 HKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004063347 557508984 /nfs/dbraw/zinc/50/89/84/557508984.db2.gz IWUCDNHHKSXSPN-NIYFSFCBSA-N 0 0 414.936 6.628 50 30 HKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004063820 557508864 /nfs/dbraw/zinc/50/88/64/557508864.db2.gz PSRPUAWXJUWDPJ-DEOSSOPVSA-N 0 0 423.553 5.319 50 30 HKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004063823 557508839 /nfs/dbraw/zinc/50/88/39/557508839.db2.gz PSRPUAWXJUWDPJ-XMMPIXPASA-N 0 0 423.553 5.319 50 30 HKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1COC(C)=O ZINC000004063904 568937451 /nfs/dbraw/zinc/93/74/51/568937451.db2.gz TZJIRGRAEOHQEY-VSYWRSJOSA-N 0 0 402.531 5.227 50 30 biogenic HKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1COC(C)=O ZINC000004063906 568937275 /nfs/dbraw/zinc/93/72/75/568937275.db2.gz TZJIRGRAEOHQEY-SJROBZAFSA-N 0 0 402.531 5.227 50 30 biogenic HKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)C(C)=O ZINC000004064539 568937620 /nfs/dbraw/zinc/93/76/20/568937620.db2.gz UVYSICYLWPARNT-LSAVBLLPSA-N 0 0 415.574 5.142 50 30 biogenic HKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)C(C)=O ZINC000004064541 568937524 /nfs/dbraw/zinc/93/75/24/568937524.db2.gz UVYSICYLWPARNT-INWJIATQSA-N 0 0 415.574 5.142 50 30 biogenic HKEARN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3[nH]c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000004065143 568937555 /nfs/dbraw/zinc/93/75/55/568937555.db2.gz ZMNRVTUMTATCLP-LPYMAVHISA-N 0 0 401.382 5.097 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004065179 557509162 /nfs/dbraw/zinc/50/91/62/557509162.db2.gz RQHGJFAEUHOWSW-IVCQMTBJSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004065181 557509078 /nfs/dbraw/zinc/50/90/78/557509078.db2.gz RQHGJFAEUHOWSW-LMKMVOKYSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004065185 557509087 /nfs/dbraw/zinc/50/90/87/557509087.db2.gz RQHGJFAEUHOWSW-PUAOIOHZSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004065188 557509085 /nfs/dbraw/zinc/50/90/85/557509085.db2.gz RQHGJFAEUHOWSW-CPJLOUKISA-N 0 0 418.899 6.459 50 30 HKEARN CCc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004065975 557509144 /nfs/dbraw/zinc/50/91/44/557509144.db2.gz RTUMXASYTRKGEX-DEOSSOPVSA-N 0 0 421.581 5.729 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004065976 557509101 /nfs/dbraw/zinc/50/91/01/557509101.db2.gz RTUMXASYTRKGEX-XMMPIXPASA-N 0 0 421.581 5.729 50 30 HKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCCC ZINC000004066486 557509117 /nfs/dbraw/zinc/50/91/17/557509117.db2.gz ODBHYQUSXJKAIX-QHCPKHFHSA-N 0 0 423.553 5.199 50 30 HKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCCC ZINC000004066489 557509124 /nfs/dbraw/zinc/50/91/24/557509124.db2.gz ODBHYQUSXJKAIX-HSZRJFAPSA-N 0 0 423.553 5.199 50 30 HKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000004069851 568937495 /nfs/dbraw/zinc/93/74/95/568937495.db2.gz STNCNGHGIPIYPW-UHFFFAOYSA-N 0 0 409.470 5.165 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4c(c3)OCCO4)nc(-c3ccccc3)c2c1 ZINC000004069934 568937702 /nfs/dbraw/zinc/93/77/02/568937702.db2.gz IUVZISYPMGSVEE-AFUMVMLFSA-N 0 0 416.868 5.167 50 30 HKEARN O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1ccccc1OCc1ccccc1 ZINC000004070537 568937790 /nfs/dbraw/zinc/93/77/90/568937790.db2.gz QMFYJTVIPKIDEU-ZHACJKMWSA-N 0 0 406.865 5.682 50 30 HKEARN Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1C ZINC000004070538 568937778 /nfs/dbraw/zinc/93/77/78/568937778.db2.gz GOFKSQJWRULPGW-CSKARUKUSA-N 0 0 400.474 5.550 50 30 HKEARN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=[NH+][N-]c1nc2ccccc2s1 ZINC000004071381 568882252 /nfs/dbraw/zinc/88/22/52/568882252.db2.gz LPSXMYZMTJKMQZ-LFVJCYFKSA-N 0 0 416.554 5.227 50 30 HKEARN Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 ZINC000004073744 568937895 /nfs/dbraw/zinc/93/78/95/568937895.db2.gz RHCQKTVYOJLSRN-VMQYQATMSA-N 0 0 423.641 6.283 50 30 biogenic HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004074972 557509835 /nfs/dbraw/zinc/50/98/35/557509835.db2.gz MTEGUVDMVATFAT-FYSMJZIKSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004074973 557509934 /nfs/dbraw/zinc/50/99/34/557509934.db2.gz MTEGUVDMVATFAT-GYCJOSAFSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004074974 557509876 /nfs/dbraw/zinc/50/98/76/557509876.db2.gz MTEGUVDMVATFAT-UPCLLVRISA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004074975 557509937 /nfs/dbraw/zinc/50/99/37/557509937.db2.gz MTEGUVDMVATFAT-VOIUYBSRSA-N 0 0 401.897 5.715 50 30 HKEARN COc1ccc(OC)c([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004074994 568938085 /nfs/dbraw/zinc/93/80/85/568938085.db2.gz KTCOPMVUICJOJS-XMMPIXPASA-N 0 0 414.505 5.453 50 30 HKEARN COc1ccc(OC)c([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004074995 568938147 /nfs/dbraw/zinc/93/81/47/568938147.db2.gz KTCOPMVUICJOJS-DEOSSOPVSA-N 0 0 414.505 5.453 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 ZINC000004075141 557509879 /nfs/dbraw/zinc/50/98/79/557509879.db2.gz XDBUICCCAGCPKT-FYSMJZIKSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 ZINC000004075142 557509908 /nfs/dbraw/zinc/50/99/08/557509908.db2.gz XDBUICCCAGCPKT-GYCJOSAFSA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 ZINC000004075143 557509890 /nfs/dbraw/zinc/50/98/90/557509890.db2.gz XDBUICCCAGCPKT-UPCLLVRISA-N 0 0 402.519 5.736 50 30 HKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 ZINC000004075144 557509857 /nfs/dbraw/zinc/50/98/57/557509857.db2.gz XDBUICCCAGCPKT-VOIUYBSRSA-N 0 0 402.519 5.736 50 30 HKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004075253 557509991 /nfs/dbraw/zinc/50/99/91/557509991.db2.gz LXDJLNHKZGXNCN-OAQYLSRUSA-N 0 0 421.566 5.003 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004075373 557509864 /nfs/dbraw/zinc/50/98/64/557509864.db2.gz YSGTYGQEFBNJAA-QYBDOPJKSA-N 0 0 410.473 5.395 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004075374 557509885 /nfs/dbraw/zinc/50/98/85/557509885.db2.gz YSGTYGQEFBNJAA-DWXRJYCRSA-N 0 0 410.473 5.395 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004075375 557509959 /nfs/dbraw/zinc/50/99/59/557509959.db2.gz YSGTYGQEFBNJAA-HFJWLAOPSA-N 0 0 410.473 5.395 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004075376 557509869 /nfs/dbraw/zinc/50/98/69/557509869.db2.gz YSGTYGQEFBNJAA-WXTAPIANSA-N 0 0 410.473 5.395 50 30 HKEARN CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004077669 557510244 /nfs/dbraw/zinc/51/02/44/557510244.db2.gz JRIFTFAFJBMMON-RBISFHTESA-N 0 0 408.545 6.790 50 30 HKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004077676 557510278 /nfs/dbraw/zinc/51/02/78/557510278.db2.gz JRIFTFAFJBMMON-DWACAAAGSA-N 0 0 408.545 6.790 50 30 HKEARN CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004077681 557510181 /nfs/dbraw/zinc/51/01/81/557510181.db2.gz JRIFTFAFJBMMON-SKCUWOTOSA-N 0 0 408.545 6.790 50 30 HKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004077689 557510289 /nfs/dbraw/zinc/51/02/89/557510289.db2.gz JRIFTFAFJBMMON-DFHRPNOPSA-N 0 0 408.545 6.790 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1cccc(C(F)(F)F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004080858 557510707 /nfs/dbraw/zinc/51/07/07/557510707.db2.gz RDSHDIAXMYTAMV-QFIPXVFZSA-N 0 0 414.471 6.544 50 30 HKEARN Cc1cc2c(cc1C)N[C@H](c1cccc(C(F)(F)F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004080862 557510752 /nfs/dbraw/zinc/51/07/52/557510752.db2.gz RDSHDIAXMYTAMV-JOCHJYFZSA-N 0 0 414.471 6.544 50 30 HKEARN 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 ZINC000004081530 568938995 /nfs/dbraw/zinc/93/89/95/568938995.db2.gz YDDVOKKQEBUWJE-ODOUJHFYSA-N 0 0 414.630 6.502 50 30 biogenic HKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000004081760 560193365 /nfs/dbraw/zinc/19/33/65/560193365.db2.gz GRBHNQFQFHLCHO-BHMAJAPKSA-N 0 0 424.713 8.233 50 30 biogenic,in-vitro HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000004082202 557511036 /nfs/dbraw/zinc/51/10/36/557511036.db2.gz YCDJBFBVNFNALN-BTYSJIOQSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000004082203 557511021 /nfs/dbraw/zinc/51/10/21/557511021.db2.gz YCDJBFBVNFNALN-IADCTJSHSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000004082204 557511049 /nfs/dbraw/zinc/51/10/49/557511049.db2.gz YCDJBFBVNFNALN-RNWIMVQKSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 ZINC000004082206 557511043 /nfs/dbraw/zinc/51/10/43/557511043.db2.gz YCDJBFBVNFNALN-MUAVYFROSA-N 0 0 416.524 6.819 50 30 HKEARN CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004082455 569060795 /nfs/dbraw/zinc/06/07/95/569060795.db2.gz VVOIQBFMTVCINR-WWMZEODYSA-N 0 0 414.586 5.293 50 30 biogenic,in-man HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000004082601 557510998 /nfs/dbraw/zinc/51/09/98/557510998.db2.gz ZXWCIBNYFFQUJF-PBBNMVCDSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000004082603 557511051 /nfs/dbraw/zinc/51/10/51/557511051.db2.gz ZXWCIBNYFFQUJF-LGGPFLRQSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000004082605 557510970 /nfs/dbraw/zinc/51/09/70/557510970.db2.gz ZXWCIBNYFFQUJF-ONOMSOESSA-N 0 0 416.524 6.819 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc3ccccc31)Nc1ccccc1N2 ZINC000004082608 557511046 /nfs/dbraw/zinc/51/10/46/557511046.db2.gz ZXWCIBNYFFQUJF-KCWXNJEJSA-N 0 0 416.524 6.819 50 30 HKEARN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000004083365 568939316 /nfs/dbraw/zinc/93/93/16/568939316.db2.gz PYMLYFWENVBIBZ-ZMOGYAJESA-N 0 0 404.857 5.697 50 30 HKEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O[C@@H](C)c1ccccc1 ZINC000004083367 568939385 /nfs/dbraw/zinc/93/93/85/568939385.db2.gz SJFFCPZPOBBIKG-FLVDCRJSSA-N 0 0 405.523 5.156 50 30 HKEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O[C@H](C)c1ccccc1 ZINC000004083369 568939330 /nfs/dbraw/zinc/93/93/30/568939330.db2.gz SJFFCPZPOBBIKG-MXJLDLDKSA-N 0 0 405.523 5.156 50 30 HKEARN C(=Nc1nc[nH]n1)c1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 ZINC000004083381 568939377 /nfs/dbraw/zinc/93/93/77/568939377.db2.gz VBOCQUYFERLATK-WGOQTCKBSA-N 0 0 413.525 5.637 50 30 HKEARN Cc1ccccc1OCCn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000004083382 568939324 /nfs/dbraw/zinc/93/93/24/568939324.db2.gz LIXFOCSNQOXZHF-PCLIKHOPSA-N 0 0 414.465 5.383 50 30 HKEARN 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 ZINC000004084062 568939577 /nfs/dbraw/zinc/93/95/77/568939577.db2.gz KPMMIZLQECJQJE-DNBHPTKRSA-N 0 0 407.554 6.590 50 30 biogenic HKEARN c1ccc(C(N=Nc2nc3ccccc3s2)=NNc2cccc3ccccc32)cc1 ZINC000004084067 571308529 /nfs/dbraw/zinc/30/85/29/571308529.db2.gz PQOJZLZNNMTGAY-SHPOAAFQSA-N 0 0 407.502 7.007 50 30 HKEARN O=C(C/C=N/OCc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000004084104 568939583 /nfs/dbraw/zinc/93/95/83/568939583.db2.gz OUEZFPJUYNTJOW-AERZKKPOSA-N 0 0 407.080 5.798 50 30 HKEARN CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004084185 568939767 /nfs/dbraw/zinc/93/97/67/568939767.db2.gz XWPFMVUGKIJWQK-SINGNXGNSA-N 0 0 414.630 6.647 50 30 biogenic HKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000004085473 568940350 /nfs/dbraw/zinc/94/03/50/568940350.db2.gz WHOGWUFFBCXMBA-FSJBWODESA-N 0 0 405.306 6.006 50 30 HKEARN Cc1ccc([C@H]2N=C(SCc3cccc(F)c3)NC3=C2C(=O)c2ccccc23)cc1 ZINC000004085545 568940270 /nfs/dbraw/zinc/94/02/70/568940270.db2.gz VZFOQIJJAFQYES-JOCHJYFZSA-N 0 0 414.505 5.675 50 30 HKEARN Cc1ccc([C@@H]2N=C(SCc3cccc(F)c3)NC3=C2C(=O)c2ccccc23)cc1 ZINC000004085546 568940367 /nfs/dbraw/zinc/94/03/67/568940367.db2.gz VZFOQIJJAFQYES-QFIPXVFZSA-N 0 0 414.505 5.675 50 30 HKEARN Cc1ccc(CSC2=N[C@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 ZINC000004085566 568940339 /nfs/dbraw/zinc/94/03/39/568940339.db2.gz YBQSAQGKZWNXJH-HSZRJFAPSA-N 0 0 414.505 5.675 50 30 HKEARN Cc1ccc(CSC2=N[C@@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 ZINC000004085568 568940332 /nfs/dbraw/zinc/94/03/32/568940332.db2.gz YBQSAQGKZWNXJH-QHCPKHFHSA-N 0 0 414.505 5.675 50 30 HKEARN CC(C)N1CCc2c(C#N)c(NC(=O)c3cccc(Oc4ccccc4)c3)sc2C1 ZINC000004086962 568940843 /nfs/dbraw/zinc/94/08/43/568940843.db2.gz XMAQAVLIYIQSNE-UHFFFAOYSA-N 0 0 417.534 5.431 50 30 HKEARN CC(C)N1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000004086996 568940840 /nfs/dbraw/zinc/94/08/40/568940840.db2.gz PIOTXRMKBLUYEG-UHFFFAOYSA-N 0 0 415.562 5.157 50 30 HKEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2 ZINC000004087314 568940875 /nfs/dbraw/zinc/94/08/75/568940875.db2.gz GNGPNHSOTDXVJD-UHFFFAOYSA-N 0 0 410.882 5.153 50 30 HKEARN CCOc1ccc2c(c1)C(=NNC(=S)Nc1ccccc1)c1cc(OCC)ccc1-2 ZINC000004090317 568942060 /nfs/dbraw/zinc/94/20/60/568942060.db2.gz RMBIVUXLJKHKOF-UHFFFAOYSA-N 0 0 417.534 5.203 50 30 HKEARN CC(C)Oc1ccc2c(c1)S/C(=C1/Sc3cc(OC(C)C)ccc3C1=O)C2=O ZINC000004090465 568942064 /nfs/dbraw/zinc/94/20/64/568942064.db2.gz KJHXVMIYJBJWTA-QURGRASLSA-N 0 0 412.532 5.750 50 30 biogenic HKEARN CCCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000004091853 568885525 /nfs/dbraw/zinc/88/55/25/568885525.db2.gz FSZSTVHJZVQDLZ-UHFFFAOYSA-N 0 0 419.528 6.481 50 30 HKEARN C=CCSc1nc2c3ccccc3sc2c(Sc2ccc(Cl)cc2)n1 ZINC000004092646 568942427 /nfs/dbraw/zinc/94/24/27/568942427.db2.gz MXWNPBZNUBNYHW-UHFFFAOYSA-N 0 0 400.981 6.927 50 30 HKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000004097468 557513281 /nfs/dbraw/zinc/51/32/81/557513281.db2.gz HPFVBGJFAYZEBE-ZLQWOROUSA-N 0 0 412.614 6.401 50 30 world HKEARN Cc1c(F)c(F)c(COC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c(F)c1F ZINC000004098974 560196344 /nfs/dbraw/zinc/19/63/44/560196344.db2.gz ZFHGXWPMULPQSE-SZGBIDFHSA-N 0 0 418.736 5.552 50 30 in-vitro HKEARN CCCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(Br)cc1 ZINC000004099383 571306760 /nfs/dbraw/zinc/30/67/60/571306760.db2.gz SQFHOGMQJLDTSF-WFOXIITASA-N 0 0 402.321 6.368 50 30 HKEARN Brc1ccc(N=NC(=NN=c2[nH]c3ccccc3o2)c2ccccc2)cc1 ZINC000004099426 568942586 /nfs/dbraw/zinc/94/25/86/568942586.db2.gz RXBRWOUFDPQNEN-RCDUIJEOSA-N 0 0 420.270 6.148 50 30 HKEARN Fc1ccc(Oc2ccc(/C=N/OCc3ccc(Br)cc3)cn2)cc1 ZINC000004106352 568943331 /nfs/dbraw/zinc/94/33/31/568943331.db2.gz BOGIFJPNYZRKMZ-FSJBWODESA-N 0 0 401.235 5.326 50 30 HKEARN N#Cc1ccccc1Cn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000004107666 568909696 /nfs/dbraw/zinc/90/96/96/568909696.db2.gz OHOMASPZDOHKRM-VULFUBBASA-N 0 0 407.502 5.617 50 30 HKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1Cl ZINC000004107760 568943609 /nfs/dbraw/zinc/94/36/09/568943609.db2.gz JRYYPOYVPOZIJZ-HSHHTGOPSA-N 0 0 401.944 5.252 50 30 HKEARN Cc1ccccc1/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C ZINC000004107796 568943617 /nfs/dbraw/zinc/94/36/17/568943617.db2.gz UXYNHTUDCFYWIM-HSHHTGOPSA-N 0 0 401.944 5.252 50 30 HKEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)c1 ZINC000004107802 568943678 /nfs/dbraw/zinc/94/36/78/568943678.db2.gz HESWZECFBDEARO-HSHHTGOPSA-N 0 0 401.944 5.252 50 30 HKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1 ZINC000004107807 568943671 /nfs/dbraw/zinc/94/36/71/568943671.db2.gz VNEOKJTWJWVQGW-HSHHTGOPSA-N 0 0 401.944 5.252 50 30 HKEARN CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1cccc(Cl)c1 ZINC000004107811 568943598 /nfs/dbraw/zinc/94/35/98/568943598.db2.gz GKSPWOROWDNZRY-RVHOYEEFSA-N 0 0 422.362 5.597 50 30 HKEARN C[C@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C)c1ccccc1 ZINC000004107853 568943647 /nfs/dbraw/zinc/94/36/47/568943647.db2.gz WJXQYNIVOZGAFY-PACJPSSQSA-N 0 0 415.971 5.373 50 30 HKEARN C[C@@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C)c1ccccc1 ZINC000004107857 568943557 /nfs/dbraw/zinc/94/35/57/568943557.db2.gz WJXQYNIVOZGAFY-JKQYAUROSA-N 0 0 415.971 5.373 50 30 HKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc(Cl)cc2)N(C)C1=O ZINC000004107875 568943674 /nfs/dbraw/zinc/94/36/74/568943674.db2.gz LKTQVTCWNPDUBY-RVHOYEEFSA-N 0 0 422.362 5.597 50 30 HKEARN CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(F)cc1 ZINC000004107880 568943632 /nfs/dbraw/zinc/94/36/32/568943632.db2.gz PTAMPKJNIKPOAF-RVHOYEEFSA-N 0 0 405.907 5.083 50 30 HKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3cccc(F)c3)C(=O)c3ccsc3CN12 ZINC000004108860 568909659 /nfs/dbraw/zinc/90/96/59/568909659.db2.gz BUKSIAVMUUFROA-IFNMQTAJSA-N 0 0 407.491 5.512 50 30 HKEARN O=C1c2ccccc2[C@@H]2S/C(=C\c3cccc(F)c3)C(=O)c3ccsc3CN12 ZINC000004108861 568909717 /nfs/dbraw/zinc/90/97/17/568909717.db2.gz BUKSIAVMUUFROA-OAIBDCNXSA-N 0 0 407.491 5.512 50 30 HKEARN O=C1c2ccccc2[C@H]2SC/C(=N/OCc3ccccc3)c3ccsc3CN12 ZINC000004108874 568909694 /nfs/dbraw/zinc/90/96/94/568909694.db2.gz ACWRPNRPQOFYQL-SXKPWUIASA-N 0 0 406.532 5.070 50 30 HKEARN O=C1c2ccccc2[C@@H]2SC/C(=N/OCc3ccccc3)c3ccsc3CN12 ZINC000004108876 568909726 /nfs/dbraw/zinc/90/97/26/568909726.db2.gz ACWRPNRPQOFYQL-PJJVEECESA-N 0 0 406.532 5.070 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNNc1cc(Cl)ccc1Cl ZINC000004112699 568944190 /nfs/dbraw/zinc/94/41/90/568944190.db2.gz JDQAKPAKCSWSHU-YSURURNPSA-N 0 0 410.264 5.126 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000004113028 557514952 /nfs/dbraw/zinc/51/49/52/557514952.db2.gz NHNDBYBGIMGBNV-QFIPXVFZSA-N 0 0 406.913 5.255 50 30 HKEARN CCOC(=O)c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)ccc1Cl ZINC000004113176 557514974 /nfs/dbraw/zinc/51/49/74/557514974.db2.gz VGGVZVHQPNOVDN-FSJBWODESA-N 0 0 408.845 5.099 50 30 HKEARN N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)cc1C#N ZINC000004113445 568944127 /nfs/dbraw/zinc/94/41/27/568944127.db2.gz LTOQKLUSMKILBJ-UHFFFAOYSA-N 0 0 419.234 5.204 50 30 HKEARN Clc1ccc(/N=C(/c2ccccc2)N(c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000004114007 557515196 /nfs/dbraw/zinc/51/51/96/557515196.db2.gz WZJWLCYVLREZNK-FVDSYPCUSA-N 0 0 417.339 7.910 50 30 HKEARN C=CCCCOc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OC ZINC000004114029 568963500 /nfs/dbraw/zinc/96/35/00/568963500.db2.gz BCIFETNKNZAADL-UHFFFAOYSA-N 0 0 413.473 5.798 50 30 HKEARN O=C(/C=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004114069 568944295 /nfs/dbraw/zinc/94/42/95/568944295.db2.gz SEXLPVQYJXAECC-BJMVGYQFSA-N 0 0 403.286 6.170 50 30 HKEARN Cc1ccc(S(=O)(=O)OC2=C(Sc3ccccc3)C(=O)CC(C)(C)C2)cc1 ZINC000004114554 557515353 /nfs/dbraw/zinc/51/53/53/557515353.db2.gz DBEBZDVPTMUIES-UHFFFAOYSA-N 0 0 402.537 5.093 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(C)cc2)o1 ZINC000004114690 557515392 /nfs/dbraw/zinc/51/53/92/557515392.db2.gz CFXMFOZTEIUHKP-QHCPKHFHSA-N 0 0 405.494 5.032 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(C)cc2)o1 ZINC000004114691 557515376 /nfs/dbraw/zinc/51/53/76/557515376.db2.gz CFXMFOZTEIUHKP-HSZRJFAPSA-N 0 0 405.494 5.032 50 30 HKEARN C=CCn1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000004114779 568963583 /nfs/dbraw/zinc/96/35/83/568963583.db2.gz CNQNRKSBSMOSIA-XQNSMLJCSA-N 0 0 416.427 5.856 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 ZINC000004116313 557515599 /nfs/dbraw/zinc/51/55/99/557515599.db2.gz JFDHLSJSCLORCK-CHVDNLQBSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 ZINC000004116314 557515867 /nfs/dbraw/zinc/51/58/67/557515867.db2.gz JFDHLSJSCLORCK-AMOXOZGRSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 ZINC000004116316 557515796 /nfs/dbraw/zinc/51/57/96/557515796.db2.gz JFDHLSJSCLORCK-PKAUSPCKSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 ZINC000004116318 557515789 /nfs/dbraw/zinc/51/57/89/557515789.db2.gz JFDHLSJSCLORCK-HRCLSFSHSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc21 ZINC000004116324 557515780 /nfs/dbraw/zinc/51/57/80/557515780.db2.gz SZHDJIIWZSYFIW-CHVDNLQBSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc21 ZINC000004116327 557515787 /nfs/dbraw/zinc/51/57/87/557515787.db2.gz SZHDJIIWZSYFIW-AMOXOZGRSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc21 ZINC000004116329 557515785 /nfs/dbraw/zinc/51/57/85/557515785.db2.gz SZHDJIIWZSYFIW-HRCLSFSHSA-N 0 0 412.489 5.071 50 30 HKEARN CCOC(=O)CSc1nc(-c2ccc(C)cc2C)cc(-c2ccccc2)c1C#N ZINC000004117185 568944366 /nfs/dbraw/zinc/94/43/66/568944366.db2.gz VZEGOPWBPUPYGQ-UHFFFAOYSA-N 0 0 402.519 5.559 50 30 HKEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2Cl)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004117222 568944302 /nfs/dbraw/zinc/94/43/02/568944302.db2.gz IHUQXEDTZYJQAX-VSKRKVRLSA-N 0 0 415.924 5.357 50 30 HKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2c1ccccc1 ZINC000004117320 568944369 /nfs/dbraw/zinc/94/43/69/568944369.db2.gz ZKSOYTWUUNYBOB-DEOSSOPVSA-N 0 0 401.550 6.499 50 30 HKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2c1ccccc1 ZINC000004117322 568944336 /nfs/dbraw/zinc/94/43/36/568944336.db2.gz ZKSOYTWUUNYBOB-XMMPIXPASA-N 0 0 401.550 6.499 50 30 HKEARN CC(C)(C)c1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004117431 568944399 /nfs/dbraw/zinc/94/43/99/568944399.db2.gz ZPWXFJIPDOYOKH-RUZDIDTESA-N 0 0 409.573 7.338 50 30 HKEARN CC(C)(C)c1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004117432 568944357 /nfs/dbraw/zinc/94/43/57/568944357.db2.gz ZPWXFJIPDOYOKH-VWLOTQADSA-N 0 0 409.573 7.338 50 30 HKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2cccs2)cc1 ZINC000004118240 568944288 /nfs/dbraw/zinc/94/42/88/568944288.db2.gz KHKFVBKVZMUGNQ-UXBLZVDNSA-N 0 0 403.286 6.170 50 30 HKEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000004118275 568944276 /nfs/dbraw/zinc/94/42/76/568944276.db2.gz PGRDUFQJKBSYGQ-VZUCSPMQSA-N 0 0 406.821 5.184 50 30 HKEARN O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004118319 568877532 /nfs/dbraw/zinc/87/75/32/568877532.db2.gz MNYBODJFHXUZJZ-FMIVXFBMSA-N 0 0 404.896 5.065 50 30 HKEARN Cc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000004118320 568877565 /nfs/dbraw/zinc/87/75/65/568877565.db2.gz SLDWCVFIMKUVKF-GIDUJCDVSA-N 0 0 412.894 5.312 50 30 HKEARN O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000004118321 568877597 /nfs/dbraw/zinc/87/75/97/568877597.db2.gz GJQFMJSEQZRLTE-LZWSPWQCSA-N 0 0 416.857 5.143 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)cc1 ZINC000004118337 568877580 /nfs/dbraw/zinc/87/75/80/568877580.db2.gz SGYYCJBKIGKHSZ-SFQUDFHCSA-N 0 0 418.920 6.753 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000004118348 557516170 /nfs/dbraw/zinc/51/61/70/557516170.db2.gz KMPULMSHNFVSPZ-RIYZIHGNSA-N 0 0 422.864 5.473 50 30 HKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004118357 568944306 /nfs/dbraw/zinc/94/43/06/568944306.db2.gz MGAPAGYMJOOPLV-JLHYYAGUSA-N 0 0 407.809 5.364 50 30 HKEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004118385 560197024 /nfs/dbraw/zinc/19/70/24/560197024.db2.gz JBRIHHBXRSZNKM-KPKJPENVSA-N 0 0 407.809 5.364 50 30 biogenic,in-vitro HKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3cccs3)cc2)c(C)c1 ZINC000004118396 568944359 /nfs/dbraw/zinc/94/43/59/568944359.db2.gz DKSFDIYPLNJANG-ZHACJKMWSA-N 0 0 412.532 5.337 50 30 HKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004118561 568944379 /nfs/dbraw/zinc/94/43/79/568944379.db2.gz GORHUDZJWOVFDI-VGOFMYFVSA-N 0 0 407.809 5.364 50 30 HKEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 ZINC000004125025 568915338 /nfs/dbraw/zinc/91/53/38/568915338.db2.gz GAQIBVMFZAMQNJ-UHFFFAOYSA-N 0 0 401.413 5.165 50 30 HKEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc2c1 ZINC000004125026 568915390 /nfs/dbraw/zinc/91/53/90/568915390.db2.gz MVWZSHKSKLQNRD-UHFFFAOYSA-N 0 0 401.413 5.165 50 30 HKEARN Cc1nc2cc(NC(=O)CSc3nc4ccc(C)cc4cc3C#N)ccc2s1 ZINC000004125435 568915389 /nfs/dbraw/zinc/91/53/89/568915389.db2.gz LQFAFKXMUHYPHQ-UHFFFAOYSA-N 0 0 404.520 5.064 50 30 aggregator HKEARN Cc1ccc2sc(NC(=O)CSc3nc4ccc(C)cc4cc3C#N)nc2c1 ZINC000004125436 568915271 /nfs/dbraw/zinc/91/52/71/568915271.db2.gz QADPVEXPXJIOKH-UHFFFAOYSA-N 0 0 404.520 5.064 50 30 HKEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000004135158 568915811 /nfs/dbraw/zinc/91/58/11/568915811.db2.gz JWUXGJXBCUJQMK-KOEQRZSOSA-N 0 0 401.322 6.019 50 30 HKEARN Cc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004135818 568915402 /nfs/dbraw/zinc/91/54/02/568915402.db2.gz KROBHDKNWVCARS-UHFFFAOYSA-N 0 0 402.501 6.310 50 30 HKEARN CCOc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004136222 568915575 /nfs/dbraw/zinc/91/55/75/568915575.db2.gz SVSDXZOYLIBOIG-UHFFFAOYSA-N 0 0 412.537 6.399 50 30 HKEARN CCOc1cc(CN=NC(=S)Nc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000004136697 568945577 /nfs/dbraw/zinc/94/55/77/568945577.db2.gz NUYXRXRPTIZNBQ-PCLIKHOPSA-N 0 0 419.550 5.705 50 30 HKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000004136991 568945631 /nfs/dbraw/zinc/94/56/31/568945631.db2.gz GUDYAIMYEIKNEX-QFIPXVFZSA-N 0 0 419.452 5.068 50 30 HKEARN O=c1c(/N=C/c2cccc([N+](=O)[O-])c2)cc2[nH]c3ccccc3c2n1-c1ccccc1 ZINC000004143910 568916092 /nfs/dbraw/zinc/91/60/92/568916092.db2.gz QTLRIHJYWBYQRK-MFKUBSTISA-N 0 0 408.417 5.131 50 30 HKEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccccn1 ZINC000004144520 557519805 /nfs/dbraw/zinc/51/98/05/557519805.db2.gz DNEVVYMMTCAJNJ-SOFGYWHQSA-N 0 0 403.522 5.468 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3cccc(C)c3C)c2)cc1 ZINC000004144543 557519777 /nfs/dbraw/zinc/51/97/77/557519777.db2.gz QAGHHHJTLDMMTR-RIYZIHGNSA-N 0 0 402.490 5.796 50 30 biogenic,in-vitro HKEARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1cccc(C#N)c1 ZINC000004144544 568916312 /nfs/dbraw/zinc/91/63/12/568916312.db2.gz SCXXIJWGOXTRIE-UHFFFAOYSA-N 0 0 412.518 5.031 50 30 HKEARN Cc1ccc(Cl)cc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccco1 ZINC000004144728 568916375 /nfs/dbraw/zinc/91/63/75/568916375.db2.gz LNCCGPWXBGTCDV-UHFFFAOYSA-N 0 0 406.898 5.653 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/[C@H](C)c3ccccc3)c(N[C@@H](C)c3ccccc3)nc12 ZINC000004145263 568916340 /nfs/dbraw/zinc/91/63/40/568916340.db2.gz SXHRDXKEEZZFIP-YMBZCIPESA-N 0 0 410.521 5.356 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/[C@@H](C)c3ccccc3)c(N[C@H](C)c3ccccc3)nc12 ZINC000004145266 568916533 /nfs/dbraw/zinc/91/65/33/568916533.db2.gz SXHRDXKEEZZFIP-RTMIEATFSA-N 0 0 410.521 5.356 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/[C@H](C)c3ccccc3)c(N[C@H](C)c3ccccc3)nc12 ZINC000004145267 568916448 /nfs/dbraw/zinc/91/64/48/568916448.db2.gz SXHRDXKEEZZFIP-CXWNSHNOSA-N 0 0 410.521 5.356 50 30 HKEARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000004145336 568916505 /nfs/dbraw/zinc/91/65/05/568916505.db2.gz KXBNLLPUKQPEQH-UHFFFAOYSA-N 0 0 412.518 5.031 50 30 HKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 ZINC000004146352 568946498 /nfs/dbraw/zinc/94/64/98/568946498.db2.gz PZUKRROWRAEOFK-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN Cc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000004147641 568946095 /nfs/dbraw/zinc/94/60/95/568946095.db2.gz ROTJZLCREQBCQV-UHFFFAOYSA-N 0 0 408.457 5.811 50 30 HKEARN O=C(/C=C/c1cccc2cccnc12)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000004148533 568946774 /nfs/dbraw/zinc/94/67/74/568946774.db2.gz ULXOTICGVXMAMT-FOCLMDBBSA-N 0 0 402.453 5.639 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004148729 557520386 /nfs/dbraw/zinc/52/03/86/557520386.db2.gz PEGGOYRZVCMPSA-QHCPKHFHSA-N 0 0 411.542 5.458 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004148731 557520275 /nfs/dbraw/zinc/52/02/75/557520275.db2.gz PEGGOYRZVCMPSA-HSZRJFAPSA-N 0 0 411.542 5.458 50 30 HKEARN Cc1ccc2c(c1)nc1c(C#N)c(C)cc(Nc3ccc(/N=N/c4ccccc4)cc3)n21 ZINC000004149434 568946800 /nfs/dbraw/zinc/94/68/00/568946800.db2.gz JIGLIVPWYNYHRV-NVQSTNCTSA-N 0 0 416.488 7.135 50 30 HKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1n[nH]cc1-c1ccccc1 ZINC000004149743 568946806 /nfs/dbraw/zinc/94/68/06/568946806.db2.gz COIRXFUBTXTTEB-IOXBOXJCSA-N 0 0 402.273 5.098 50 30 HKEARN N#Cc1cc2[nH]c3ccccc3c2nc1N(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004150470 568946956 /nfs/dbraw/zinc/94/69/56/568946956.db2.gz INETVEGDAVNDPL-UHFFFAOYSA-N 0 0 405.417 5.966 50 30 HKEARN CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 ZINC000004150504 568946912 /nfs/dbraw/zinc/94/69/12/568946912.db2.gz NYEHBPHARDZEES-ZMOGYAJESA-N 0 0 421.294 6.276 50 30 HKEARN Cc1c(/N=C/c2cc(Br)ccc2O)cccc1-c1nc2ccccc2o1 ZINC000004150558 568946974 /nfs/dbraw/zinc/94/69/74/568946974.db2.gz BZJOESSJEKFGBG-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O ZINC000004150690 568946979 /nfs/dbraw/zinc/94/69/79/568946979.db2.gz JFNCLIGCMKCRMX-UFFVCSGVSA-N 0 0 405.317 5.116 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004150985 557520624 /nfs/dbraw/zinc/52/06/24/557520624.db2.gz JLXYVCYEFVJUGG-BTYSJIOQSA-N 0 0 422.572 7.098 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004150990 557520534 /nfs/dbraw/zinc/52/05/34/557520534.db2.gz JLXYVCYEFVJUGG-IADCTJSHSA-N 0 0 422.572 7.098 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004150994 557520568 /nfs/dbraw/zinc/52/05/68/557520568.db2.gz JLXYVCYEFVJUGG-RNWIMVQKSA-N 0 0 422.572 7.098 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004150998 557520861 /nfs/dbraw/zinc/52/08/61/557520861.db2.gz JLXYVCYEFVJUGG-MUAVYFROSA-N 0 0 422.572 7.098 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000004151010 557520864 /nfs/dbraw/zinc/52/08/64/557520864.db2.gz UFWDHOXDNJUOQZ-RBISFHTESA-N 0 0 408.545 6.537 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000004151011 557520878 /nfs/dbraw/zinc/52/08/78/557520878.db2.gz UFWDHOXDNJUOQZ-DWACAAAGSA-N 0 0 408.545 6.537 50 30 HKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000004151012 557520831 /nfs/dbraw/zinc/52/08/31/557520831.db2.gz UFWDHOXDNJUOQZ-SKCUWOTOSA-N 0 0 408.545 6.537 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000004151013 557520872 /nfs/dbraw/zinc/52/08/72/557520872.db2.gz UFWDHOXDNJUOQZ-DFHRPNOPSA-N 0 0 408.545 6.537 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)N2 ZINC000004151064 568947092 /nfs/dbraw/zinc/94/70/92/568947092.db2.gz TWFVREKONDBLMR-NRFANRHFSA-N 0 0 404.307 6.167 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)N2 ZINC000004151065 568947181 /nfs/dbraw/zinc/94/71/81/568947181.db2.gz TWFVREKONDBLMR-OAQYLSRUSA-N 0 0 404.307 6.167 50 30 HKEARN CCN(CC)c1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004151107 557520877 /nfs/dbraw/zinc/52/08/77/557520877.db2.gz QMLJBRPEOGJBII-RUZDIDTESA-N 0 0 403.570 6.063 50 30 HKEARN CCN(CC)c1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004151109 557520842 /nfs/dbraw/zinc/52/08/42/557520842.db2.gz QMLJBRPEOGJBII-VWLOTQADSA-N 0 0 403.570 6.063 50 30 HKEARN Fc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000004154904 557521104 /nfs/dbraw/zinc/52/11/04/557521104.db2.gz IENPFFXERHRGCN-LUJVFJMUSA-N 0 0 419.503 6.932 50 30 HKEARN Fc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000004154905 557521070 /nfs/dbraw/zinc/52/10/70/557521070.db2.gz IENPFFXERHRGCN-AWUWXFTQSA-N 0 0 419.503 6.932 50 30 HKEARN Cc1ccccc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004154906 557520997 /nfs/dbraw/zinc/52/09/97/557520997.db2.gz NWNXCHMFFPXDJV-FKIVBMLTSA-N 0 0 415.540 7.101 50 30 HKEARN Cc1ccccc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004154907 557521073 /nfs/dbraw/zinc/52/10/73/557521073.db2.gz NWNXCHMFFPXDJV-QEUXCTTPSA-N 0 0 415.540 7.101 50 30 HKEARN O=C(Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1)c1cccs1 ZINC000004158986 557521437 /nfs/dbraw/zinc/52/14/37/557521437.db2.gz QCOYDDCZVLXDPB-UHFFFAOYSA-N 0 0 403.344 5.883 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCc2ccccc2)c1Cc1ccccc1 ZINC000004160100 568946897 /nfs/dbraw/zinc/94/68/97/568946897.db2.gz RIRSOJXPZNZSTR-UHFFFAOYSA-N 0 0 402.501 5.871 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCCc2ccccc2)c1Cc1ccccc1 ZINC000004160101 568946990 /nfs/dbraw/zinc/94/69/90/568946990.db2.gz RRWOYRQGFPUCCJ-UHFFFAOYSA-N 0 0 416.528 5.913 50 30 HKEARN COc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000004160102 568946981 /nfs/dbraw/zinc/94/69/81/568946981.db2.gz VMBGFTWQQMSWCM-UHFFFAOYSA-N 0 0 418.500 6.011 50 30 HKEARN Cc1cccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000004160103 568946905 /nfs/dbraw/zinc/94/69/05/568946905.db2.gz HSRVRGSSDNFWII-UHFFFAOYSA-N 0 0 402.501 6.310 50 30 HKEARN N#Cc1c2c(c(Nc3ccc(C4CCCCC4)cc3)n3c4ccccc4nc13)CCC2 ZINC000004160108 568946982 /nfs/dbraw/zinc/94/69/82/568946982.db2.gz CDQMKKCEEGEKED-UHFFFAOYSA-N 0 0 406.533 6.639 50 30 HKEARN CCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004168019 568948061 /nfs/dbraw/zinc/94/80/61/568948061.db2.gz UMDPAQYCGJZZNO-RUZDIDTESA-N 0 0 404.554 6.314 50 30 HKEARN CCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004168024 568948069 /nfs/dbraw/zinc/94/80/69/568948069.db2.gz UMDPAQYCGJZZNO-VWLOTQADSA-N 0 0 404.554 6.314 50 30 HKEARN CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004168027 568948086 /nfs/dbraw/zinc/94/80/86/568948086.db2.gz IGDFBXCEOTZSNK-AREMUKBSSA-N 0 0 417.597 6.372 50 30 HKEARN CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004168030 568948166 /nfs/dbraw/zinc/94/81/66/568948166.db2.gz IGDFBXCEOTZSNK-SANMLTNESA-N 0 0 417.597 6.372 50 30 HKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 ZINC000004168171 557523645 /nfs/dbraw/zinc/52/36/45/557523645.db2.gz NCNIXYGWUXMJQQ-DEOSSOPVSA-N 0 0 416.521 5.000 50 30 HKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 ZINC000004168173 557523639 /nfs/dbraw/zinc/52/36/39/557523639.db2.gz NCNIXYGWUXMJQQ-XMMPIXPASA-N 0 0 416.521 5.000 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C ZINC000004168306 557523671 /nfs/dbraw/zinc/52/36/71/557523671.db2.gz BNYGASRQLYQYGQ-DEOSSOPVSA-N 0 0 414.549 5.546 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C ZINC000004168307 557523675 /nfs/dbraw/zinc/52/36/75/557523675.db2.gz BNYGASRQLYQYGQ-XMMPIXPASA-N 0 0 414.549 5.546 50 30 HKEARN CCCCCCOc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccc(F)cc2)c1 ZINC000004171250 568921447 /nfs/dbraw/zinc/92/14/47/568921447.db2.gz IRDAAVWOMDEZOV-JOCHJYFZSA-N 0 0 411.473 5.274 50 30 HKEARN CCCCCCOc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(F)cc2)c1 ZINC000004171251 568921468 /nfs/dbraw/zinc/92/14/68/568921468.db2.gz IRDAAVWOMDEZOV-QFIPXVFZSA-N 0 0 411.473 5.274 50 30 HKEARN N#CC(=NNc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 ZINC000004175418 568948420 /nfs/dbraw/zinc/94/84/20/568948420.db2.gz NLYADKDCOFILRX-HZHRSRAPSA-N 0 0 401.264 5.051 50 30 HKEARN N#CCCSc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000004176934 568948940 /nfs/dbraw/zinc/94/89/40/568948940.db2.gz DNDZNWVBUJWOHH-UHFFFAOYSA-N 0 0 400.459 5.204 50 30 HKEARN COc1ccc(/C=N/c2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 ZINC000004178645 557525371 /nfs/dbraw/zinc/52/53/71/557525371.db2.gz NJWFIPRFBSNHRR-KEBDBYFISA-N 0 0 403.301 5.340 50 30 HKEARN Brc1ccc(-c2csc(/N=C/c3cccc(Br)c3)n2)cc1 ZINC000004179004 568949258 /nfs/dbraw/zinc/94/92/58/568949258.db2.gz HLMZPFHZDUGJBY-DJKKODMXSA-N 0 0 422.145 6.086 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000004179104 568949265 /nfs/dbraw/zinc/94/92/65/568949265.db2.gz JISHOKNCLQUPRG-ZNZIZOMTSA-N 0 0 415.496 5.279 50 30 HKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1F ZINC000004180196 557525633 /nfs/dbraw/zinc/52/56/33/557525633.db2.gz 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CC(C)(C)c1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O ZINC000004183912 557526137 /nfs/dbraw/zinc/52/61/37/557526137.db2.gz HULUWDWYYIYWIY-TURZUDJPSA-N 0 0 400.566 7.159 50 30 HKEARN COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2F)cc1 ZINC000004184079 568949729 /nfs/dbraw/zinc/94/97/29/568949729.db2.gz QMTSDPSKVVSPPR-UHFFFAOYSA-N 0 0 416.481 5.246 50 30 HKEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2C)cc1 ZINC000004184096 568949683 /nfs/dbraw/zinc/94/96/83/568949683.db2.gz VZBIPMWMTHMBAT-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN Cc1cccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccc(F)cc2)c1 ZINC000004184178 568949944 /nfs/dbraw/zinc/94/99/44/568949944.db2.gz QOXKFKWCBJBBOA-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2F)cc1 ZINC000004184596 568928637 /nfs/dbraw/zinc/92/86/37/568928637.db2.gz KTVHKLFJWDPHLX-UHFFFAOYSA-N 0 0 416.481 5.246 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2C)cc1 ZINC000004184607 568928626 /nfs/dbraw/zinc/92/86/26/568928626.db2.gz 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CCCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004186060 568949907 /nfs/dbraw/zinc/94/99/07/568949907.db2.gz VBPCTBWRUOBESF-XMMPIXPASA-N 0 0 412.533 6.224 50 30 HKEARN CCCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004186073 568949929 /nfs/dbraw/zinc/94/99/29/568949929.db2.gz VBPCTBWRUOBESF-DEOSSOPVSA-N 0 0 412.533 6.224 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 ZINC000004186075 568949848 /nfs/dbraw/zinc/94/98/48/568949848.db2.gz HYAZAIBNKVJHCW-UHFFFAOYSA-N 0 0 403.898 5.147 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004186535 557526553 /nfs/dbraw/zinc/52/65/53/557526553.db2.gz IBJYHSVSNMYHQW-ODCWNRFASA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004186542 557526505 /nfs/dbraw/zinc/52/65/05/557526505.db2.gz IBJYHSVSNMYHQW-MQNRADLISA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004186545 557526531 /nfs/dbraw/zinc/52/65/31/557526531.db2.gz IBJYHSVSNMYHQW-SGANQWHYSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccc1F)Nc1ccccc1N2 ZINC000004186552 557526492 /nfs/dbraw/zinc/52/64/92/557526492.db2.gz IBJYHSVSNMYHQW-BZQUYTCOSA-N 0 0 418.899 6.459 50 30 HKEARN COc1ccc(-c2csc(N=NCc3c4ccccc4cc4ccccc43)n2)cc1 ZINC000004186820 568950119 /nfs/dbraw/zinc/95/01/19/568950119.db2.gz GXWXEBVEARXKDF-CVKSISIWSA-N 0 0 409.514 6.571 50 30 HKEARN C(=NN=c1[nH]c2ccccc2s1)c1ccc(Sc2nc3ccccc3s2)o1 ZINC000004187944 568950033 /nfs/dbraw/zinc/95/00/33/568950033.db2.gz UOPBDNBAUOPMJP-RGVLZGJSSA-N 0 0 408.533 6.096 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1F ZINC000004188188 568950050 /nfs/dbraw/zinc/95/00/50/568950050.db2.gz JZOJDRDUIRPPCP-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN O=C1c2ccccc2S/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000004189360 557526777 /nfs/dbraw/zinc/52/67/77/557526777.db2.gz HFRNJQCRNACHEF-RGVLZGJSSA-N 0 0 413.325 6.902 50 30 HKEARN Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1 ZINC000004192416 568950460 /nfs/dbraw/zinc/95/04/60/568950460.db2.gz NJUHFJNHINJIBT-UHFFFAOYSA-N 0 0 401.481 5.752 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000004194143 557527400 /nfs/dbraw/zinc/52/74/00/557527400.db2.gz GTAIHGFBDAHXDF-IBGZPJMESA-N 0 0 415.518 5.039 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000004194144 557527484 /nfs/dbraw/zinc/52/74/84/557527484.db2.gz GTAIHGFBDAHXDF-LJQANCHMSA-N 0 0 415.518 5.039 50 30 HKEARN N#Cc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000004194500 568950988 /nfs/dbraw/zinc/95/09/88/568950988.db2.gz RHDRGBBYWBLUIS-UHFFFAOYSA-N 0 0 406.448 5.057 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC ZINC000004196900 568951279 /nfs/dbraw/zinc/95/12/79/568951279.db2.gz ZDLDXAMASZDWFT-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC ZINC000004197245 568951264 /nfs/dbraw/zinc/95/12/64/568951264.db2.gz DAAXOLWYIREPBB-UHFFFAOYSA-N 0 0 405.445 5.451 50 30 HKEARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000004199023 568951302 /nfs/dbraw/zinc/95/13/02/568951302.db2.gz FSXXGXBLWAELQV-UHFFFAOYSA-N 0 0 423.556 5.295 50 30 HKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1Br ZINC000004199211 557528132 /nfs/dbraw/zinc/52/81/32/557528132.db2.gz FZDDEEQJVQJTNX-YDZHTSKRSA-N 0 0 407.267 6.017 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004199706 557528367 /nfs/dbraw/zinc/52/83/67/557528367.db2.gz NFKFWPZUFLIRQA-PPHZAIPVSA-N 0 0 424.500 5.703 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004199707 557528351 /nfs/dbraw/zinc/52/83/51/557528351.db2.gz NFKFWPZUFLIRQA-WINIVTDRSA-N 0 0 424.500 5.703 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004199708 557528433 /nfs/dbraw/zinc/52/84/33/557528433.db2.gz NFKFWPZUFLIRQA-UZTOHYMASA-N 0 0 424.500 5.703 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000004199709 557528441 /nfs/dbraw/zinc/52/84/41/557528441.db2.gz NFKFWPZUFLIRQA-XHCCPWGMSA-N 0 0 424.500 5.703 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccccc2C#N)nnc1-c1ccc(F)cc1 ZINC000004211111 568951931 /nfs/dbraw/zinc/95/19/31/568951931.db2.gz UZIKGCKGMWVVIZ-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2F)cc1 ZINC000004211380 568951913 /nfs/dbraw/zinc/95/19/13/568951913.db2.gz PPAAPFYOHNUYPV-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2C)cc1 ZINC000004211440 568951949 /nfs/dbraw/zinc/95/19/49/568951949.db2.gz LPKWOACVWBFJPK-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(C)cc2)cc1 ZINC000004211469 568951941 /nfs/dbraw/zinc/95/19/41/568951941.db2.gz WVDKPGZGNGCYTH-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN Cc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccc(F)cc2)cc1 ZINC000004211967 568952017 /nfs/dbraw/zinc/95/20/17/568952017.db2.gz IKHDBWGEKPRSMC-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)cc1 ZINC000004211999 568952136 /nfs/dbraw/zinc/95/21/36/568952136.db2.gz RCHYSYLRYHKBKD-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 ZINC000004212024 568951920 /nfs/dbraw/zinc/95/19/20/568951920.db2.gz IFJDUIWFVXRKQI-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)cc1 ZINC000004212838 568946028 /nfs/dbraw/zinc/94/60/28/568946028.db2.gz LARAAYUKWOEHNM-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(C)cc2)cc1 ZINC000004212886 568946346 /nfs/dbraw/zinc/94/63/46/568946346.db2.gz UHOFMPIFIYEDKR-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000004216895 557529465 /nfs/dbraw/zinc/52/94/65/557529465.db2.gz TXUICONDJPYNPY-FRXWOFFRSA-N 0 0 414.630 6.647 50 30 in-man HKEARN S=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)NC1CCCCC1 ZINC000004229715 557530459 /nfs/dbraw/zinc/53/04/59/557530459.db2.gz DJULYNGAESAXQV-OEAKJJBVSA-N 0 0 401.963 5.050 50 30 HKEARN N#Cc1cccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1 ZINC000004244380 568953308 /nfs/dbraw/zinc/95/33/08/568953308.db2.gz ZMIVZXQWDJSTSC-UHFFFAOYSA-N 0 0 400.482 5.296 50 30 HKEARN C[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000004254224 560603582 /nfs/dbraw/zinc/60/35/82/560603582.db2.gz FJVNKHNGQYZQEA-NSHDSACASA-N 0 0 408.836 5.611 50 30 HKEARN C[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000004254226 560603626 /nfs/dbraw/zinc/60/36/26/560603626.db2.gz FJVNKHNGQYZQEA-LLVKDONJSA-N 0 0 408.836 5.611 50 30 HKEARN CCCCCCOc1ccc(OC(=O)C2CCC(CCCC)CC2)c(C#N)c1C#N ZINC000004256035 568954610 /nfs/dbraw/zinc/95/46/10/568954610.db2.gz NGHDPKYMCXAANX-UHFFFAOYSA-N 0 0 410.558 6.291 50 30 HKEARN C=CCC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000004256223 568955520 /nfs/dbraw/zinc/95/55/20/568955520.db2.gz RXGKJHDBXIAJPL-UHFFFAOYSA-N 0 0 413.609 5.795 50 30 HKEARN CCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1 ZINC000004256496 568954687 /nfs/dbraw/zinc/95/46/87/568954687.db2.gz MLYWHBXIVHZCLV-UHFFFAOYSA-N 0 0 423.556 7.518 50 30 HKEARN CCCCCOc1ccc(C(=O)Oc2ccc(OCCCCC)c(C#N)c2C#N)cc1 ZINC000004256497 568954636 /nfs/dbraw/zinc/95/46/36/568954636.db2.gz NQOTXYNZSMFULC-UHFFFAOYSA-N 0 0 420.509 5.787 50 30 HKEARN O=C1/C(=C/c2ccc(Br)o2)CCC/C1=C\c1ccc(Br)o1 ZINC000004263966 568909298 /nfs/dbraw/zinc/90/92/98/568909298.db2.gz QWVRXKRVNMVUMU-GFULKKFKSA-N 0 0 412.077 5.618 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000004264110 568956026 /nfs/dbraw/zinc/95/60/26/568956026.db2.gz HNJBRDTZPMCWFO-CYVLTUHYSA-N 0 0 415.445 5.277 50 30 HKEARN Cc1cccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c1C ZINC000004269935 568956582 /nfs/dbraw/zinc/95/65/82/568956582.db2.gz MOBCKSNQNGZCFJ-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN Cc1cc(SCC(=O)Nc2c(C)cccc2C)n2c3ccccc3nc2c1C#N ZINC000004269978 568956546 /nfs/dbraw/zinc/95/65/46/568956546.db2.gz HOHPELODPFBBNR-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN Cc1ccc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000004270047 568956584 /nfs/dbraw/zinc/95/65/84/568956584.db2.gz ZNAQYJBDACSGPV-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000004272146 568957149 /nfs/dbraw/zinc/95/71/49/568957149.db2.gz KKLBPVXKMBLCQX-BLVCXSLXSA-N 0 0 402.582 6.209 50 30 HKEARN N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000004273199 568957631 /nfs/dbraw/zinc/95/76/31/568957631.db2.gz ORUPMFKNOLEWLX-UHFFFAOYSA-N 0 0 404.882 5.063 50 30 HKEARN N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)cc1 ZINC000004273266 568957709 /nfs/dbraw/zinc/95/77/09/568957709.db2.gz RFAJJPYFHXSMNK-UHFFFAOYSA-N 0 0 404.882 5.063 50 30 HKEARN Cc1ccc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004279007 568958420 /nfs/dbraw/zinc/95/84/20/568958420.db2.gz CNKKYUQRTQENAN-WUXMJOGZSA-N 0 0 405.381 5.158 50 30 HKEARN COc1ccccc1C(=O)Oc1ccc(F)cc1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000004279010 568958304 /nfs/dbraw/zinc/95/83/04/568958304.db2.gz YWQZBTSXCZKYPE-XYOKQWHBSA-N 0 0 410.828 5.603 50 30 HKEARN COc1ccc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2cccs2)cc1OC ZINC000004279021 568958382 /nfs/dbraw/zinc/95/83/82/568958382.db2.gz FHGLVFVYIXQYNF-VMPITWQZSA-N 0 0 412.438 5.020 50 30 HKEARN Cc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004279029 568958368 /nfs/dbraw/zinc/95/83/68/568958368.db2.gz AXSLVLKXOUZJEM-VAWYXSNFSA-N 0 0 401.418 5.327 50 30 HKEARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)/C=C/c2ccccc2F)c1 ZINC000004279040 568958311 /nfs/dbraw/zinc/95/83/11/568958311.db2.gz ONDWOEYNMHKQNA-ZHACJKMWSA-N 0 0 405.381 5.158 50 30 HKEARN COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004279042 568958315 /nfs/dbraw/zinc/95/83/15/568958315.db2.gz MUQSBKSISMBXFF-JLHYYAGUSA-N 0 0 417.417 5.027 50 30 HKEARN COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004279043 568958313 /nfs/dbraw/zinc/95/83/13/568958313.db2.gz WXSYARFXYPUOFO-VAWYXSNFSA-N 0 0 417.417 5.027 50 30 HKEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccc(F)cc2)cc1OC ZINC000004279044 568958392 /nfs/dbraw/zinc/95/83/92/568958392.db2.gz ZKDWJIORYLRYIO-VZUCSPMQSA-N 0 0 420.436 5.267 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004279045 568958308 /nfs/dbraw/zinc/95/83/08/568958308.db2.gz AQRDWFYWVWELBE-VGOFMYFVSA-N 0 0 417.417 5.027 50 30 aggregator HKEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000004279046 568958422 /nfs/dbraw/zinc/95/84/22/568958422.db2.gz OMQJPEAIZYUPLO-JLHYYAGUSA-N 0 0 417.417 5.027 50 30 HKEARN Cc1ccc(/C=C/C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1 ZINC000004279067 568958295 /nfs/dbraw/zinc/95/82/95/568958295.db2.gz HTNFEIWELRNDAT-CSKARUKUSA-N 0 0 411.251 5.466 50 30 HKEARN COc1ccc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2C)cc1OC ZINC000004279072 568958430 /nfs/dbraw/zinc/95/84/30/568958430.db2.gz QJGNQJBDXJSSSR-DHZHZOJOSA-N 0 0 420.436 5.267 50 30 HKEARN COc1ccccc1C(=O)Oc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 ZINC000004279076 568958406 /nfs/dbraw/zinc/95/84/06/568958406.db2.gz LRXAMTOQFVCYSU-XYOKQWHBSA-N 0 0 410.828 5.603 50 30 HKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cc(Cl)ccc3O)cc2)o1 ZINC000004280953 557535762 /nfs/dbraw/zinc/53/57/62/557535762.db2.gz FIBBQMNTVSERTF-VULFUBBASA-N 0 0 405.881 6.779 50 30 HKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)o1 ZINC000004280959 557535748 /nfs/dbraw/zinc/53/57/48/557535748.db2.gz RDPFWIZNVGEDQV-STBIYBPSSA-N 0 0 421.496 7.279 50 30 HKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)o1 ZINC000004280960 557535631 /nfs/dbraw/zinc/53/56/31/557535631.db2.gz KXEHCCMKCPMMOC-MFKUBSTISA-N 0 0 400.434 6.328 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004281978 568959085 /nfs/dbraw/zinc/95/90/85/568959085.db2.gz CGVPXPQHTVZFKS-UKILVPOCSA-N 0 0 416.908 6.147 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004281979 568959045 /nfs/dbraw/zinc/95/90/45/568959045.db2.gz CGVPXPQHTVZFKS-ILBGXUMGSA-N 0 0 416.908 6.147 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000004281980 568958972 /nfs/dbraw/zinc/95/89/72/568958972.db2.gz DGYOGCVJBCDJJZ-UKILVPOCSA-N 0 0 400.453 5.633 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000004281981 568959060 /nfs/dbraw/zinc/95/90/60/568959060.db2.gz DGYOGCVJBCDJJZ-ILBGXUMGSA-N 0 0 400.453 5.633 50 30 HKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004285241 557535980 /nfs/dbraw/zinc/53/59/80/557535980.db2.gz WAZAVFLQVADKCE-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004285242 557535982 /nfs/dbraw/zinc/53/59/82/557535982.db2.gz WAZAVFLQVADKCE-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004285265 557536008 /nfs/dbraw/zinc/53/60/08/557536008.db2.gz HNBAYFOIEDNXDP-DEOSSOPVSA-N 0 0 423.553 5.319 50 30 HKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004285266 557536004 /nfs/dbraw/zinc/53/60/04/557536004.db2.gz HNBAYFOIEDNXDP-XMMPIXPASA-N 0 0 423.553 5.319 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1 ZINC000004285983 568963451 /nfs/dbraw/zinc/96/34/51/568963451.db2.gz VLGGCAWLKYPCKL-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1 ZINC000004286054 568959184 /nfs/dbraw/zinc/95/91/84/568959184.db2.gz MVKUPKNFYDUEQH-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN CCOC(=O)c1ccc(NC(=CC(=O)c2ccc(Br)cc2)CC)cc1 ZINC000004286227 568959270 /nfs/dbraw/zinc/95/92/70/568959270.db2.gz KVLCYFLIRVDDAX-LGMDPLHJSA-N 0 0 402.288 5.215 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1C1CCCCC1 ZINC000004286530 568959198 /nfs/dbraw/zinc/95/91/98/568959198.db2.gz SPASYKHCRSCZAP-UHFFFAOYSA-N 0 0 412.603 5.367 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000004288394 568963443 /nfs/dbraw/zinc/96/34/43/568963443.db2.gz HTWCUDUELZVOLJ-CYBMUJFWSA-N 0 0 400.544 5.200 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000004288395 568963440 /nfs/dbraw/zinc/96/34/40/568963440.db2.gz HTWCUDUELZVOLJ-ZDUSSCGKSA-N 0 0 400.544 5.200 50 30 HKEARN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1O ZINC000004300165 557537358 /nfs/dbraw/zinc/53/73/58/557537358.db2.gz CFKLMPBXVWYIFK-FBCYGCLPSA-N 0 0 408.510 5.951 50 30 HKEARN C/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000004300841 557537646 /nfs/dbraw/zinc/53/76/46/557537646.db2.gz XJILGALUFODUSW-MYYYXRDXSA-N 0 0 408.498 5.697 50 30 HKEARN COc1ccc(CC2CCC(=NOC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004301243 557537738 /nfs/dbraw/zinc/53/77/38/557537738.db2.gz KPQIATQAVKARPU-UHFFFAOYSA-N 0 0 405.416 5.660 50 30 HKEARN COc1ccc(CC2CCC(=NOC(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000004301248 557537657 /nfs/dbraw/zinc/53/76/57/557537657.db2.gz OLPQWMDQRXDAIN-UHFFFAOYSA-N 0 0 406.309 5.948 50 30 HKEARN CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004304814 568976948 /nfs/dbraw/zinc/97/69/48/568976948.db2.gz AGWMLBKIBKKELH-JVWAILMASA-N 0 0 417.505 5.219 50 30 HKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccccc1Br ZINC000004309341 557538487 /nfs/dbraw/zinc/53/84/87/557538487.db2.gz FBNUIZGQBUPDCI-QHCPKHFHSA-N 0 0 404.307 6.276 50 30 HKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccccc1Br ZINC000004309342 557538483 /nfs/dbraw/zinc/53/84/83/557538483.db2.gz FBNUIZGQBUPDCI-HSZRJFAPSA-N 0 0 404.307 6.276 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000004309705 557538763 /nfs/dbraw/zinc/53/87/63/557538763.db2.gz DVAUSABCBDAXGF-MBSDFSHPSA-N 0 0 421.924 5.183 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000004309706 557538745 /nfs/dbraw/zinc/53/87/45/557538745.db2.gz DVAUSABCBDAXGF-FDDCHVKYSA-N 0 0 421.924 5.183 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000004309707 557538812 /nfs/dbraw/zinc/53/88/12/557538812.db2.gz DVAUSABCBDAXGF-JPYJTQIMSA-N 0 0 421.924 5.183 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000004309708 557538783 /nfs/dbraw/zinc/53/87/83/557538783.db2.gz DVAUSABCBDAXGF-WZONZLPQSA-N 0 0 421.924 5.183 50 30 HKEARN Cc1cc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])cc1C ZINC000004309721 568960679 /nfs/dbraw/zinc/96/06/79/568960679.db2.gz VMNYHWFNPLMPNG-YZSQISJMSA-N 0 0 411.461 6.644 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1OCc1ccccc1 ZINC000004309983 557539106 /nfs/dbraw/zinc/53/91/06/557539106.db2.gz HZWZQRVBHSPNTA-MHZLTWQESA-N 0 0 424.544 6.488 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1OCc1ccccc1 ZINC000004309984 557539111 /nfs/dbraw/zinc/53/91/11/557539111.db2.gz HZWZQRVBHSPNTA-HHHXNRCGSA-N 0 0 424.544 6.488 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2[nH]1 ZINC000004310040 557539018 /nfs/dbraw/zinc/53/90/18/557539018.db2.gz JSUSZTQAHMZNSZ-WUXMJOGZSA-N 0 0 416.502 5.466 50 30 biogenic,in-vitro HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccccc1)-c1ccccc1CC3 ZINC000004311510 568960833 /nfs/dbraw/zinc/96/08/33/568960833.db2.gz DETGNODDQDDADK-UHFFFAOYSA-N 0 0 416.571 5.702 50 30 HKEARN CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1OC ZINC000004311581 568960847 /nfs/dbraw/zinc/96/08/47/568960847.db2.gz IUJPFPQUWODQFC-HMMYKYKNSA-N 0 0 413.473 5.967 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 ZINC000004311627 568960877 /nfs/dbraw/zinc/96/08/77/568960877.db2.gz OHWXYUZZQQNHMO-UHFFFAOYSA-N 0 0 416.571 5.799 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000004311957 568961149 /nfs/dbraw/zinc/96/11/49/568961149.db2.gz DUJWEXPTWKQUEI-OAQYLSRUSA-N 0 0 418.518 5.358 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000004311958 568961115 /nfs/dbraw/zinc/96/11/15/568961115.db2.gz DUJWEXPTWKQUEI-NRFANRHFSA-N 0 0 418.518 5.358 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)sc1C ZINC000004312024 568961137 /nfs/dbraw/zinc/96/11/37/568961137.db2.gz SORJVTOMIBGAMW-HXUWFJFHSA-N 0 0 418.518 5.160 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)sc1C ZINC000004312025 568961126 /nfs/dbraw/zinc/96/11/26/568961126.db2.gz SORJVTOMIBGAMW-FQEVSTJZSA-N 0 0 418.518 5.160 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1C(F)(F)F ZINC000004320308 557540643 /nfs/dbraw/zinc/54/06/43/557540643.db2.gz XYDHUZDGZDZOJS-DEOSSOPVSA-N 0 0 421.462 7.168 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1C(F)(F)F ZINC000004320309 557540666 /nfs/dbraw/zinc/54/06/66/557540666.db2.gz XYDHUZDGZDZOJS-XMMPIXPASA-N 0 0 421.462 7.168 50 30 HKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(C)C)n2)cc1 ZINC000004321388 557843446 /nfs/dbraw/zinc/84/34/46/557843446.db2.gz STWAMHRMGCPDEL-UHFFFAOYSA-N 0 0 408.954 6.697 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000004321393 557843377 /nfs/dbraw/zinc/84/33/77/557843377.db2.gz VRONNFDKKNYJHA-UHFFFAOYSA-N 0 0 412.945 7.233 50 30 HKEARN O=C(N[C@@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004321576 557540924 /nfs/dbraw/zinc/54/09/24/557540924.db2.gz RYDILFMFMIUVNX-YZTZRZFLSA-N 0 0 404.513 6.018 50 30 HKEARN Cc1onc(-c2ccccc2)c1C(=O)ON=C(Cc1ccccc1)Cc1ccccc1 ZINC000004322351 557540837 /nfs/dbraw/zinc/54/08/37/557540837.db2.gz PJUWQHQHWGDBHU-UHFFFAOYSA-N 0 0 410.473 5.648 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1ccccc1SCCC#N ZINC000004322611 557540943 /nfs/dbraw/zinc/54/09/43/557540943.db2.gz HSVXJNMABMMTKS-UHFFFAOYSA-N 0 0 412.902 5.953 50 30 HKEARN CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004322814 557541072 /nfs/dbraw/zinc/54/10/72/557541072.db2.gz BVSHGURWWIJCAA-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004322815 557541079 /nfs/dbraw/zinc/54/10/79/557541079.db2.gz BVSHGURWWIJCAA-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN C#Cc1cccc(/N=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1 ZINC000004323116 557541044 /nfs/dbraw/zinc/54/10/44/557541044.db2.gz SEOQUTMQTWBCDD-KVSWJAHQSA-N 0 0 407.313 6.716 50 30 HKEARN Brc1ccc2nc(N=NCc3ccccc3)nc(-c3ccccc3)c2c1 ZINC000004323128 557541105 /nfs/dbraw/zinc/54/11/05/557541105.db2.gz GLWZOJHHARFAPG-OEAKJJBVSA-N 0 0 403.283 5.505 50 30 HKEARN CC(C)(C)c1ccc(C(=O)N(OC(=O)c2ccc(Cl)cc2Cl)C(C)(C)C)cc1 ZINC000004323220 557541035 /nfs/dbraw/zinc/54/10/35/557541035.db2.gz BBIKMHNIIUSGDD-UHFFFAOYSA-N 0 0 422.352 6.304 50 30 HKEARN C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000004323780 557541110 /nfs/dbraw/zinc/54/11/10/557541110.db2.gz XLDXATQMOFKICR-UZYVYHOESA-N 0 0 401.875 5.417 50 30 HKEARN N#CCCN(C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000004323831 557541379 /nfs/dbraw/zinc/54/13/79/557541379.db2.gz ZFLFOIDQIYQYAO-UHFFFAOYSA-N 0 0 409.511 5.435 50 30 HKEARN CSC(=NC(=O)c1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1 ZINC000004323862 557541402 /nfs/dbraw/zinc/54/14/02/557541402.db2.gz ODZZIBYGFPGOSL-UHFFFAOYSA-N 0 0 401.746 5.338 50 30 HKEARN CC(/C=C/c1ccccc1)=N\OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004323886 557541391 /nfs/dbraw/zinc/54/13/91/557541391.db2.gz KAKKCSUBUWJTLG-GHQMXAPVSA-N 0 0 415.276 6.203 50 30 HKEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ON=C1C2CC3CC(C2)CC1C3 ZINC000004323913 557541310 /nfs/dbraw/zinc/54/13/10/557541310.db2.gz HTGMGFJTVHNOND-UHFFFAOYSA-N 0 0 402.853 5.411 50 30 HKEARN O=C(ON(C(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 ZINC000004323947 557541301 /nfs/dbraw/zinc/54/13/01/557541301.db2.gz SYZMGWQKLTZGHY-UHFFFAOYSA-N 0 0 411.448 5.004 50 30 HKEARN CCN(CC)c1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000004331946 558263161 /nfs/dbraw/zinc/26/31/61/558263161.db2.gz VIEVYLBKXRYJIY-PTGBLXJZSA-N 0 0 410.517 6.406 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000004333262 557542832 /nfs/dbraw/zinc/54/28/32/557542832.db2.gz VHBCOKOPCXDBTP-SANMLTNESA-N 0 0 410.517 6.701 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000004333265 557542839 /nfs/dbraw/zinc/54/28/39/557542839.db2.gz VHBCOKOPCXDBTP-AREMUKBSSA-N 0 0 410.517 6.701 50 30 HKEARN N#C[C@H](/C(=N/c1ccccc1)SCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000004333624 557543103 /nfs/dbraw/zinc/54/31/03/557543103.db2.gz KSPWVOINODDDOG-HGFVNXKRSA-N 0 0 416.937 6.487 50 30 HKEARN N#C[C@@H](/C(=N/c1ccccc1)SCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000004333626 557543085 /nfs/dbraw/zinc/54/30/85/557543085.db2.gz KSPWVOINODDDOG-YXKKDJNZSA-N 0 0 416.937 6.487 50 30 HKEARN C=CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c21)CCCC3 ZINC000004334426 568963698 /nfs/dbraw/zinc/96/36/98/568963698.db2.gz LNNARPDHBWUXKE-UHFFFAOYSA-N 0 0 401.988 6.114 50 30 HKEARN C=CCn1c(Sc2ncnc3sc4c(c32)CCCC4)nnc1-c1ccccc1 ZINC000004334468 568963611 /nfs/dbraw/zinc/96/36/11/568963611.db2.gz PQAQQYGOSAGJRR-UHFFFAOYSA-N 0 0 405.552 5.166 50 30 HKEARN S=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)NC1CCCCC1 ZINC000004335784 557543508 /nfs/dbraw/zinc/54/35/08/557543508.db2.gz KZGHEYJQSMLGBW-OEAKJJBVSA-N 0 0 401.963 5.050 50 30 HKEARN C#CCOC(=O)Nc1cnc(Oc2c(Cl)cccc2Cl)c(C(F)(F)F)c1 ZINC000004335914 560875681 /nfs/dbraw/zinc/87/56/81/560875681.db2.gz LCSULAPNXAYDEB-UHFFFAOYSA-N 0 0 405.159 5.381 50 30 HKEARN Cc1ccc(S(=O)(=O)N/N=C2/CCCCCCCCCC[C@@H]2CCC#N)cc1 ZINC000004336177 557543498 /nfs/dbraw/zinc/54/34/98/557543498.db2.gz QVQKFTJVKOLAPM-ZGKFLROHSA-N 0 0 403.592 5.464 50 30 HKEARN Cc1ccc(S(=O)(=O)N/N=C2/CCCCCCCCCC[C@H]2CCC#N)cc1 ZINC000004336178 557543535 /nfs/dbraw/zinc/54/35/35/557543535.db2.gz QVQKFTJVKOLAPM-HNWIBAKRSA-N 0 0 403.592 5.464 50 30 HKEARN COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004337413 558421760 /nfs/dbraw/zinc/42/17/60/558421760.db2.gz IQIMBLAOLLAALP-NRFANRHFSA-N 0 0 409.526 5.517 50 30 HKEARN Cc1cc(C)c(CSCCNC2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)c(C)c1 ZINC000004338040 557543710 /nfs/dbraw/zinc/54/37/10/557543710.db2.gz DESNHBYPHFEAMV-HXUWFJFHSA-N 0 0 414.014 6.119 50 30 HKEARN Cc1cc(C)c(CSCCNC2=CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)c(C)c1 ZINC000004338042 557543741 /nfs/dbraw/zinc/54/37/41/557543741.db2.gz DESNHBYPHFEAMV-FQEVSTJZSA-N 0 0 414.014 6.119 50 30 HKEARN Cc1cc(C)c(CSCCNC2=CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1 ZINC000004338105 557543734 /nfs/dbraw/zinc/54/37/34/557543734.db2.gz WTVUFHQLIBDFOK-JOCHJYFZSA-N 0 0 422.638 5.531 50 30 HKEARN Cc1cc(C)c(CSCCNC2=CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1 ZINC000004338109 557543751 /nfs/dbraw/zinc/54/37/51/557543751.db2.gz WTVUFHQLIBDFOK-QFIPXVFZSA-N 0 0 422.638 5.531 50 30 HKEARN CC[C@H](C)C1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C([C@@H](C)CC)C1=O ZINC000004343191 557544313 /nfs/dbraw/zinc/54/43/13/557544313.db2.gz IBKCFAGOOSRAMP-IRXDYDNUSA-N 0 0 405.542 5.085 50 30 HKEARN CC[C@@H](C)C1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C([C@H](C)CC)C1=O ZINC000004343193 557544417 /nfs/dbraw/zinc/54/44/17/557544417.db2.gz IBKCFAGOOSRAMP-IAGOWNOFSA-N 0 0 405.542 5.085 50 30 HKEARN Cc1c(C)c(C)c(CS/C(=N/c2ccc(C(C)C)cc2)N2CCOCC2)c(C)c1C ZINC000004344497 557544555 /nfs/dbraw/zinc/54/45/55/557544555.db2.gz GBOFJMLDYMDXAM-CYYJNZCTSA-N 0 0 424.654 6.605 50 30 HKEARN N=C(NOC(=O)c1ccccc1Cl)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000004344796 557544616 /nfs/dbraw/zinc/54/46/16/557544616.db2.gz DKIBSEGHXGZAFC-UHFFFAOYSA-N 0 0 415.276 5.050 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000004345968 568963576 /nfs/dbraw/zinc/96/35/76/568963576.db2.gz JJFNVMZGVXRYHY-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc(OC)cc(OC)c1 ZINC000004346056 558427341 /nfs/dbraw/zinc/42/73/41/558427341.db2.gz KSQDQPHWVDMTJJ-UHFFFAOYSA-N 0 0 401.919 5.094 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000004346107 558427299 /nfs/dbraw/zinc/42/72/99/558427299.db2.gz KUESMBXXWIANJM-UHFFFAOYSA-N 0 0 401.919 5.094 50 30 HKEARN COC(=O)c1sc(SC)c2c1CC(C)(C)CC2=NOC(=O)Nc1ccccc1 ZINC000004349824 557545114 /nfs/dbraw/zinc/54/51/14/557545114.db2.gz KGQBFAIVJQNEIN-HYARGMPZSA-N 0 0 418.540 5.182 50 30 HKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004349865 558428404 /nfs/dbraw/zinc/42/84/04/558428404.db2.gz TUTYRLQNHFAZLK-HSZRJFAPSA-N 0 0 418.562 5.324 50 30 HKEARN CO/N=C1\CC(C)(C)Cc2c(C(=O)Nc3ccc(Cl)cc3)sc(SC)c21 ZINC000004349950 557545049 /nfs/dbraw/zinc/54/50/49/557545049.db2.gz ARNANDBSMUPAPX-HYARGMPZSA-N 0 0 408.976 5.699 50 30 HKEARN CSc1scc2c1/C(=N/OC(=O)c1cccc(C(F)(F)F)c1)CC(C)(C)C2 ZINC000004350455 557545102 /nfs/dbraw/zinc/54/51/02/557545102.db2.gz QNEUWNBJEIXPRF-OEAKJJBVSA-N 0 0 413.486 6.022 50 30 HKEARN CCOC(=O)c1sc(N=NCc2ccccc2Cl)c2c1CC(C)(C)CC2=O ZINC000004351168 557545044 /nfs/dbraw/zinc/54/50/44/557545044.db2.gz VNEUKEWBVQAOBC-SSDVNMTOSA-N 0 0 404.919 5.179 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2cccc(C)c2)cc1 ZINC000004356339 558443736 /nfs/dbraw/zinc/44/37/36/558443736.db2.gz PLXMUWKNCFCNKN-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1F ZINC000004356570 558444870 /nfs/dbraw/zinc/44/48/70/558444870.db2.gz UHVIYVZNCITLMW-UHFFFAOYSA-N 0 0 404.308 5.325 50 30 HKEARN Cc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2F)cc1 ZINC000004356610 558444845 /nfs/dbraw/zinc/44/48/45/558444845.db2.gz HUXSEBJAEWCDCW-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000004356686 558443005 /nfs/dbraw/zinc/44/30/05/558443005.db2.gz GQWCZZVWWKVABH-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2cccc(C)c2)cc1 ZINC000004356693 558444884 /nfs/dbraw/zinc/44/48/84/558444884.db2.gz WDDRHRKKYAFKBF-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000004356698 558444953 /nfs/dbraw/zinc/44/49/53/558444953.db2.gz NVDQNLZUSHYTBD-UHFFFAOYSA-N 0 0 416.481 5.246 50 30 HKEARN C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 ZINC000004356763 558445161 /nfs/dbraw/zinc/44/51/61/558445161.db2.gz OZYDYBQTDRCCNE-UHFFFAOYSA-N 0 0 405.445 5.451 50 30 HKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(F)cc2)cc1 ZINC000004356795 558445178 /nfs/dbraw/zinc/44/51/78/558445178.db2.gz DSWUPAIMSQLMNZ-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccccc2C#N)nnc1-c1ccccc1F ZINC000004357115 558445187 /nfs/dbraw/zinc/44/51/87/558445187.db2.gz QZQRLUBDYPMSIV-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN Cc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2F)cc1 ZINC000004357141 558445290 /nfs/dbraw/zinc/44/52/90/558445290.db2.gz UEZDAQDQOCFJOW-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2cccc(C)c2)cc1 ZINC000004357218 558445351 /nfs/dbraw/zinc/44/53/51/558445351.db2.gz LJEJDLZOTRXXDE-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccc(F)cc2)cc1 ZINC000004357223 558445327 /nfs/dbraw/zinc/44/53/27/558445327.db2.gz PIEMWMWRBWCHSA-UHFFFAOYSA-N 0 0 416.481 5.246 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2C2CCCCC2)cc1 ZINC000004357228 558445355 /nfs/dbraw/zinc/44/53/55/558445355.db2.gz UDQNGCCTQQNNAS-UHFFFAOYSA-N 0 0 404.539 5.488 50 30 HKEARN COc1ccc(-n2c(SCc3ccccc3C#N)nnc2C2CCCCC2)cc1 ZINC000004357233 558445383 /nfs/dbraw/zinc/44/53/83/558445383.db2.gz BIWOLZJZSQKPIB-UHFFFAOYSA-N 0 0 404.539 5.488 50 30 HKEARN C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 ZINC000004357259 558445641 /nfs/dbraw/zinc/44/56/41/558445641.db2.gz JWMYJRIDXFIDTC-UHFFFAOYSA-N 0 0 405.445 5.451 50 30 HKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 ZINC000004357275 560875732 /nfs/dbraw/zinc/87/57/32/560875732.db2.gz RQVCYKXMKLPQBU-UHFFFAOYSA-N 0 0 405.445 5.451 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000004357279 568963619 /nfs/dbraw/zinc/96/36/19/568963619.db2.gz MDKDUUFNHRDKGT-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 ZINC000004357284 558445632 /nfs/dbraw/zinc/44/56/32/558445632.db2.gz BPTYLLOEJUTDMF-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN N#Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000004357899 558446264 /nfs/dbraw/zinc/44/62/64/558446264.db2.gz RPPTYDBICWBZPD-UHFFFAOYSA-N 0 0 416.937 5.675 50 30 HKEARN CN(/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000004357937 557546073 /nfs/dbraw/zinc/54/60/73/557546073.db2.gz RFJDHDPATDGBEF-WPWMEQJKSA-N 0 0 414.892 6.183 50 30 HKEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000004358769 558447270 /nfs/dbraw/zinc/44/72/70/558447270.db2.gz GPBTUEWVAROXCL-UHFFFAOYSA-N 0 0 402.910 5.752 50 30 HKEARN COc1cccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(C)cc2)c1 ZINC000004358843 558447279 /nfs/dbraw/zinc/44/72/79/558447279.db2.gz KYCKKHHHBVRRGR-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN CSc1sc(Cl)c2c1/C(=N/OCC(=O)Nc1ccccc1)CC(C)(C)C2 ZINC000004361714 557546754 /nfs/dbraw/zinc/54/67/54/557546754.db2.gz FGIUUJPIYXCANA-HYARGMPZSA-N 0 0 408.976 5.455 50 30 HKEARN CC1(C)C=Cc2cc(C(=N)NOC(=O)Nc3ccc(Cl)cc3Cl)ccc2O1 ZINC000004362136 557546782 /nfs/dbraw/zinc/54/67/82/557546782.db2.gz SAPKOLUSXCZYCN-UHFFFAOYSA-N 0 0 406.269 5.047 50 30 HKEARN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C#CC(C)(C)O)s1 ZINC000004362613 557546758 /nfs/dbraw/zinc/54/67/58/557546758.db2.gz XJITXQYDTJEVDW-UFFVCSGVSA-N 0 0 401.746 5.667 50 30 HKEARN Clc1cc(Cl)c(NN=Cc2cc(C#Cc3ccccc3)cs2)c(Cl)c1 ZINC000004362748 557546748 /nfs/dbraw/zinc/54/67/48/557546748.db2.gz YBZPCQKYVIDEGH-FOKLQQMPSA-N 0 0 405.737 6.554 50 30 HKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc(C(F)(F)F)c1 ZINC000004362969 558460654 /nfs/dbraw/zinc/46/06/54/558460654.db2.gz QOXQPWIXNILIDQ-UHFFFAOYSA-N 0 0 415.440 5.375 50 30 HKEARN Cn1c(SCc2ccccc2Cl)nnc1-c1cncc(C#Cc2ccccc2)c1 ZINC000004363209 568963647 /nfs/dbraw/zinc/96/36/47/568963647.db2.gz OSZALLNJMSZOGH-UHFFFAOYSA-N 0 0 416.937 5.223 50 30 HKEARN Cc1sc(N=NC(C)c2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1 ZINC000004363643 557547041 /nfs/dbraw/zinc/54/70/41/557547041.db2.gz DBQZNUWCFZLZNF-OVVQPSECSA-N 0 0 413.546 6.534 50 30 HKEARN CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CC ZINC000004363899 557547015 /nfs/dbraw/zinc/54/70/15/557547015.db2.gz GWNJVLOOORZMIL-GZNJHTOZSA-N 0 0 409.001 5.865 50 30 HKEARN CN(C)c1ccc(C=[NH+][N-]c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000004363969 557546990 /nfs/dbraw/zinc/54/69/90/557546990.db2.gz FFVFIBNZNRXFRN-LIMNOBDPSA-N 0 0 410.654 6.178 50 30 HKEARN COc1cccc(C(=O)C=CNc2ccc(Br)cc2Br)c1 ZINC000004364075 557547028 /nfs/dbraw/zinc/54/70/28/557547028.db2.gz XFFHTDIYESWLLM-BQYQJAHWSA-N 0 0 411.093 5.029 50 30 HKEARN Oc1ccccc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1 ZINC000004364264 557547105 /nfs/dbraw/zinc/54/71/05/557547105.db2.gz AMMSDZQXKFYJCY-KOEQRZSOSA-N 0 0 414.555 6.840 50 30 HKEARN C/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1sc2ccc(Cl)cc2c1C ZINC000004365629 557547270 /nfs/dbraw/zinc/54/72/70/557547270.db2.gz NZPDVPQLACBJLZ-BHGWPJFGSA-N 0 0 411.832 6.463 50 30 HKEARN N#Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 ZINC000004365726 558461893 /nfs/dbraw/zinc/46/18/93/558461893.db2.gz ZSJGYGSLICSUSB-UHFFFAOYSA-N 0 0 402.910 5.752 50 30 HKEARN COc1cccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(C)cc2)c1 ZINC000004365886 558461907 /nfs/dbraw/zinc/46/19/07/558461907.db2.gz SWXFQCNLJZBFOK-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN Cc1c(C=NNc2c(Cl)cc(Cl)cc2Cl)sc2ccc(Cl)cc12 ZINC000004365933 557547308 /nfs/dbraw/zinc/54/73/08/557547308.db2.gz OBXGJXRZRPFEFN-QPSGOUHRSA-N 0 0 404.149 7.269 50 30 HKEARN Cc1cccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2F)c1 ZINC000004366095 558461910 /nfs/dbraw/zinc/46/19/10/558461910.db2.gz WHVPMTTVEAQSEG-UHFFFAOYSA-N 0 0 400.482 5.546 50 30 HKEARN N#Cc1c(/C=C\c2ccccc2)c2c(nc1SCc1ccc(Cl)cc1)CCC2 ZINC000004366192 558468399 /nfs/dbraw/zinc/46/83/99/558468399.db2.gz PITZERBXSKLCMI-KAMYIIQDSA-N 0 0 402.950 6.558 50 30 HKEARN Cc1ccc(C(=O)Nc2ccccc2Sc2nc3ccccc3c(C)c2C#N)cc1 ZINC000004366435 558468600 /nfs/dbraw/zinc/46/86/00/558468600.db2.gz DCJJTKNSTIVVRS-UHFFFAOYSA-N 0 0 409.514 6.127 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004367213 558462060 /nfs/dbraw/zinc/46/20/60/558462060.db2.gz ZEPZCROSHUGCJQ-XTEPFMGCSA-N 0 0 424.544 6.617 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004367222 558462034 /nfs/dbraw/zinc/46/20/34/558462034.db2.gz ZEPZCROSHUGCJQ-XCZPVHLTSA-N 0 0 424.544 6.617 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000004369750 291282286 /nfs/dbraw/zinc/28/22/86/291282286.db2.gz MNGYOFNIAOWXIT-KUZKVMKQSA-N 0 0 424.537 5.512 50 30 biogenic,in-vitro HKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000004372952 557548034 /nfs/dbraw/zinc/54/80/34/557548034.db2.gz AZBRSINHWSZINY-WPWMEQJKSA-N 0 0 417.965 7.275 50 30 HKEARN COc1cc(/C=N/C2CCCCCCCCCCC2)ccc1OCc1ccccc1 ZINC000004376699 557548948 /nfs/dbraw/zinc/54/89/48/557548948.db2.gz AUWKPEWLRITPPF-SGWCAAJKSA-N 0 0 407.598 7.366 50 30 HKEARN Cc1cccc(/C=C2\SC(=S)N(/N=C/c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000004377095 557548928 /nfs/dbraw/zinc/54/89/28/557548928.db2.gz BZXLYTBCVHSHKB-YFEJRAKLSA-N 0 0 407.347 5.537 50 30 HKEARN CCO/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000004378438 558477410 /nfs/dbraw/zinc/47/74/10/558477410.db2.gz RTZWMKTYWILIPP-HPNDGRJYSA-N 0 0 418.459 5.193 50 30 HKEARN c1ccc2c(c1)cccc2-n1nnnc1N=NCc1c2ccccc2cc2ccccc21 ZINC000004380219 557549227 /nfs/dbraw/zinc/54/92/27/557549227.db2.gz DNTBNPFTCCGQKI-WPWMEQJKSA-N 0 0 414.472 5.568 50 30 HKEARN FC(F)(F)c1ccc(CN=Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 ZINC000004390169 557550590 /nfs/dbraw/zinc/55/05/90/557550590.db2.gz BRQJLDBHQBWVPD-HCBMXOAHSA-N 0 0 401.137 6.477 50 30 HKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000004390387 557550682 /nfs/dbraw/zinc/55/06/82/557550682.db2.gz DGMDQDIKEQSUME-AUEPDCJTSA-N 0 0 409.751 5.973 50 30 HKEARN COc1cc(Br)cc(/C=N/CCSCc2ccccc2Cl)c1O ZINC000004390636 557550922 /nfs/dbraw/zinc/55/09/22/557550922.db2.gz SXCALGSJCKYXPG-KEBDBYFISA-N 0 0 414.752 5.169 50 30 HKEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=N)NOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004391738 557551148 /nfs/dbraw/zinc/55/11/48/557551148.db2.gz UTPGQECEXLLWRA-LBPRGKRZSA-N 0 0 409.313 5.187 50 30 HKEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=N)NOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004391739 557551141 /nfs/dbraw/zinc/55/11/41/557551141.db2.gz UTPGQECEXLLWRA-GFCCVEGCSA-N 0 0 409.313 5.187 50 30 HKEARN Cc1nc(-c2cccs2)sc1NC(=O)ONC(=N)c1ccc(C(C)(C)C)cc1 ZINC000004394455 557551588 /nfs/dbraw/zinc/55/15/88/557551588.db2.gz ZITOVDCOJKHORO-UHFFFAOYSA-N 0 0 414.556 5.347 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1csc(-c2ccccc2)n1 ZINC000004394559 557551463 /nfs/dbraw/zinc/55/14/63/557551463.db2.gz ZSEVDMSIUOTDEF-CFRMEGHHSA-N 0 0 410.955 6.423 50 30 HKEARN CC(=NNc1c(C)cccc1Cl)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000004394844 557551764 /nfs/dbraw/zinc/55/17/64/557551764.db2.gz XWMQNMFTPRLCNP-CIAFOILYSA-N 0 0 402.863 5.642 50 30 HKEARN O=C1[C@H](C[C@@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 ZINC000004402451 558499417 /nfs/dbraw/zinc/49/94/17/558499417.db2.gz SRXHLHLYMDYESA-CWGXUGAXSA-N 0 0 400.559 5.059 50 30 biogenic HKEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(OC(=O)c2cccc3ccccc32)cc1 ZINC000004405364 558501083 /nfs/dbraw/zinc/50/10/83/558501083.db2.gz JATXPBXXSDNIFH-WGOQTCKBSA-N 0 0 410.429 6.026 50 30 HKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000004409865 558503180 /nfs/dbraw/zinc/50/31/80/558503180.db2.gz LLXYPXSSHGNEJA-AUEPDCJTSA-N 0 0 411.836 5.937 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC ZINC000004409919 558503146 /nfs/dbraw/zinc/50/31/46/558503146.db2.gz PGEXANHDSDGJGS-MFKUBSTISA-N 0 0 415.518 5.940 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 ZINC000004409928 558503140 /nfs/dbraw/zinc/50/31/40/558503140.db2.gz FUPHKUJOUVPDTG-MFKUBSTISA-N 0 0 415.518 5.940 50 30 HKEARN COc1ccc(-c2nc(N=NCc3ccccc3OC)sc2-c2ccccc2)cc1 ZINC000004409994 558503241 /nfs/dbraw/zinc/50/32/41/558503241.db2.gz QAFIDFUTLGBPKA-PCLIKHOPSA-N 0 0 415.518 5.940 50 30 HKEARN COc1cccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c1 ZINC000004410044 558503210 /nfs/dbraw/zinc/50/32/10/558503210.db2.gz WGBDAYGWZXTKJN-AUEPDCJTSA-N 0 0 411.836 5.937 50 30 HKEARN COc1ccccc1CN=Nc1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)s1 ZINC000004410045 558503449 /nfs/dbraw/zinc/50/34/49/558503449.db2.gz SRMMOEZZXUHWHI-AUEPDCJTSA-N 0 0 411.836 5.937 50 30 HKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1OC ZINC000004410048 558503453 /nfs/dbraw/zinc/50/34/53/558503453.db2.gz TXVCWBCZMFZTTN-FOKLQQMPSA-N 0 0 407.417 5.292 50 30 HKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(OC)c1 ZINC000004410052 558503417 /nfs/dbraw/zinc/50/34/17/558503417.db2.gz UEBSQLZSDHLZNT-FOKLQQMPSA-N 0 0 407.417 5.292 50 30 HKEARN Cc1ccc(-c2cc(/N=C/c3c(Cl)cccc3Cl)n(-c3ccccc3)n2)cc1 ZINC000004413478 558523872 /nfs/dbraw/zinc/52/38/72/558523872.db2.gz JHUHMSDMUYUJBL-CVKSISIWSA-N 0 0 406.316 6.905 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000004414714 557553344 /nfs/dbraw/zinc/55/33/44/557553344.db2.gz WQICXLMOUGTTEG-VWLOTQADSA-N 0 0 420.528 6.159 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000004414716 557553293 /nfs/dbraw/zinc/55/32/93/557553293.db2.gz WQICXLMOUGTTEG-RUZDIDTESA-N 0 0 420.528 6.159 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC ZINC000004415939 557553279 /nfs/dbraw/zinc/55/32/79/557553279.db2.gz SQQYPOGEWVFIGH-QFIPXVFZSA-N 0 0 411.542 5.033 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC ZINC000004415940 557553268 /nfs/dbraw/zinc/55/32/68/557553268.db2.gz SQQYPOGEWVFIGH-JOCHJYFZSA-N 0 0 411.542 5.033 50 30 HKEARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1 ZINC000004417991 557553628 /nfs/dbraw/zinc/55/36/28/557553628.db2.gz RDQURZAQBLJOIL-XMMPIXPASA-N 0 0 401.487 5.570 50 30 HKEARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1 ZINC000004417992 557553603 /nfs/dbraw/zinc/55/36/03/557553603.db2.gz RDQURZAQBLJOIL-DEOSSOPVSA-N 0 0 401.487 5.570 50 30 HKEARN CCOc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1O ZINC000004417993 557553611 /nfs/dbraw/zinc/55/36/11/557553611.db2.gz VDLPPEDCIVSTJU-XMMPIXPASA-N 0 0 401.487 5.657 50 30 HKEARN CCOc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1O ZINC000004417994 557553590 /nfs/dbraw/zinc/55/35/90/557553590.db2.gz VDLPPEDCIVSTJU-DEOSSOPVSA-N 0 0 401.487 5.657 50 30 HKEARN CCC(=NNc1ccccc1)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000004419627 557553947 /nfs/dbraw/zinc/55/39/47/557553947.db2.gz CGAPVIWWRZMQAI-RWEWTDSWSA-N 0 0 417.534 5.413 50 30 HKEARN COc1ccc(C(=O)Cn2c3ccccc3nc2C(=O)C=Cc2ccccc2C)cc1 ZINC000004419813 557553902 /nfs/dbraw/zinc/55/39/02/557553902.db2.gz SNYXNMQIVBRMIA-DTQAZKPQSA-N 0 0 410.473 5.132 50 30 HKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccccc2)n1C1CCCCC1)CCCC3 ZINC000004419847 557553873 /nfs/dbraw/zinc/55/38/73/557553873.db2.gz ZMPKNFYVIMLVMH-BUVRLJJBSA-N 0 0 406.555 5.288 50 30 HKEARN O=S(=O)(N=C(Nc1cccc2ccccc21)c1ccc(F)cc1)c1ccccc1 ZINC000004420399 558530073 /nfs/dbraw/zinc/53/00/73/558530073.db2.gz QBLJCUKQONYSRS-UHFFFAOYSA-N 0 0 404.466 5.227 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000004420919 557553806 /nfs/dbraw/zinc/55/38/06/557553806.db2.gz IUFGPWALSFTMHP-JOCHJYFZSA-N 0 0 422.355 7.347 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000004420922 557553824 /nfs/dbraw/zinc/55/38/24/557553824.db2.gz IUFGPWALSFTMHP-QFIPXVFZSA-N 0 0 422.355 7.347 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccc2ccccc21 ZINC000004420925 558532458 /nfs/dbraw/zinc/53/24/58/558532458.db2.gz ICGAWFWSNZICPH-HHHXNRCGSA-N 0 0 403.525 7.194 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccc2ccccc21 ZINC000004420927 558532324 /nfs/dbraw/zinc/53/23/24/558532324.db2.gz ICGAWFWSNZICPH-MHZLTWQESA-N 0 0 403.525 7.194 50 30 HKEARN CCCCCCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N ZINC000004420972 558532343 /nfs/dbraw/zinc/53/23/43/558532343.db2.gz PMAKGTVLFVQHEV-UHFFFAOYSA-N 0 0 406.982 7.613 50 30 HKEARN COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000004422819 558533935 /nfs/dbraw/zinc/53/39/35/558533935.db2.gz BPOCBFYFQZQEEN-CVKSISIWSA-N 0 0 418.541 5.425 50 30 HKEARN Cc1ccsc1/C=C(\C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 ZINC000004423950 558543861 /nfs/dbraw/zinc/54/38/61/558543861.db2.gz CCKUDAZHDOXCHD-XMHGGMMESA-N 0 0 403.503 6.408 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000004424693 558543952 /nfs/dbraw/zinc/54/39/52/558543952.db2.gz VYYKSGTTXDQBAW-AZGAKELHSA-N 0 0 412.489 5.502 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000004424697 558544024 /nfs/dbraw/zinc/54/40/24/558544024.db2.gz VYYKSGTTXDQBAW-AHWVRZQESA-N 0 0 412.489 5.502 50 30 HKEARN C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3ccc(Br)cc3)cc21 ZINC000004424921 558543959 /nfs/dbraw/zinc/54/39/59/558543959.db2.gz BWGFPKGDSWBFHP-UHFFFAOYSA-N 0 0 414.299 5.448 50 30 HKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc3ccccc32)C1 ZINC000004436020 557555075 /nfs/dbraw/zinc/55/50/75/557555075.db2.gz XJIDGSAGJNKPMU-CJAUYULYSA-N 0 0 406.489 5.155 50 30 HKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc3ccccc32)C1 ZINC000004436023 557555332 /nfs/dbraw/zinc/55/53/32/557555332.db2.gz XJIDGSAGJNKPMU-BVZFJXPGSA-N 0 0 406.489 5.155 50 30 HKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000004436024 557555342 /nfs/dbraw/zinc/55/53/42/557555342.db2.gz XJIDGSAGJNKPMU-IQGLISFBSA-N 0 0 406.489 5.155 50 30 HKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000004436026 557555374 /nfs/dbraw/zinc/55/53/74/557555374.db2.gz XJIDGSAGJNKPMU-AVRWGWEMSA-N 0 0 406.489 5.155 50 30 HKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccc(Br)cc1 ZINC000004438492 557555532 /nfs/dbraw/zinc/55/55/32/557555532.db2.gz FNWPWQIDILMVBL-OEAKJJBVSA-N 0 0 407.315 5.389 50 30 HKEARN CC(=O)[C@H](C)Sc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N ZINC000004450382 558592174 /nfs/dbraw/zinc/59/21/74/558592174.db2.gz ZYBBCAPBHXHMLZ-PGBBXINNSA-N 0 0 408.489 5.509 50 30 HKEARN CC(=O)[C@@H](C)Sc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N ZINC000004450384 558592081 /nfs/dbraw/zinc/59/20/81/558592081.db2.gz ZYBBCAPBHXHMLZ-JSFDKUKPSA-N 0 0 408.489 5.509 50 30 HKEARN CCOc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000004452505 557555852 /nfs/dbraw/zinc/55/58/52/557555852.db2.gz IUFDVYMHARYTKO-VUTHCHCSSA-N 0 0 421.565 7.481 50 30 HKEARN CN(C)c1ccc(/C=N\N=C2/CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000004455672 558590156 /nfs/dbraw/zinc/59/01/56/558590156.db2.gz SRQNOVRXHQWKQS-YLTQPQFKSA-N 0 0 412.581 6.441 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N ZINC000004455952 558590040 /nfs/dbraw/zinc/59/00/40/558590040.db2.gz FCHYYVSVOWMWIH-YSURURNPSA-N 0 0 415.280 5.421 50 30 HKEARN C[C@@H]1CC2=CCCC(C)(C)[C@@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000004457571 557555951 /nfs/dbraw/zinc/55/59/51/557555951.db2.gz NDSONPMOFYKBTC-RIXKBYLBSA-N 0 0 402.546 5.323 50 30 biogenic HKEARN C[C@@H]1CC2=CCCC(C)(C)[C@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000004457573 557556136 /nfs/dbraw/zinc/55/61/36/557556136.db2.gz NDSONPMOFYKBTC-AYUVVWMFSA-N 0 0 402.546 5.323 50 30 biogenic HKEARN O=[N+]([O-])c1ccc(/C=N\N=C2/CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000004459233 558590425 /nfs/dbraw/zinc/59/04/25/558590425.db2.gz CRBUWAZQXGYSMH-PBQJWYBUSA-N 0 0 414.509 6.283 50 30 HKEARN COc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004459700 557556236 /nfs/dbraw/zinc/55/62/36/557556236.db2.gz CJOHGXWQDMRIDL-FQEVSTJZSA-N 0 0 417.336 6.224 50 30 HKEARN COc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004459706 557556142 /nfs/dbraw/zinc/55/61/42/557556142.db2.gz CJOHGXWQDMRIDL-HXUWFJFHSA-N 0 0 417.336 6.224 50 30 HKEARN CCCCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004459742 557556128 /nfs/dbraw/zinc/55/61/28/557556128.db2.gz CYMYDBBBHPKIOM-RUZDIDTESA-N 0 0 404.554 6.478 50 30 HKEARN CCCCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004459747 557556192 /nfs/dbraw/zinc/55/61/92/557556192.db2.gz CYMYDBBBHPKIOM-VWLOTQADSA-N 0 0 404.554 6.478 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000004459779 557556140 /nfs/dbraw/zinc/55/61/40/557556140.db2.gz GYAWSJKCZXXLAH-MHZLTWQESA-N 0 0 424.544 6.488 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000004459784 557556200 /nfs/dbraw/zinc/55/62/00/557556200.db2.gz GYAWSJKCZXXLAH-HHHXNRCGSA-N 0 0 424.544 6.488 50 30 HKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000004460276 558590292 /nfs/dbraw/zinc/59/02/92/558590292.db2.gz AMKBWIFLWCJTRQ-ULEDHRJNSA-N 0 0 408.270 6.235 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1Br ZINC000004460300 558590361 /nfs/dbraw/zinc/59/03/61/558590361.db2.gz IXCSNGRKMSOMNA-LAMRRIJQSA-N 0 0 409.243 6.523 50 30 HKEARN O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000004471078 558599004 /nfs/dbraw/zinc/59/90/04/558599004.db2.gz OWAWWQLGUCVEGB-FOWTUZBSSA-N 0 0 404.771 5.998 50 30 HKEARN Cc1cccc(COc2ccc(/C=C3\S/C(=N/c4cccc(C)c4)NC3=O)cc2)c1 ZINC000004471344 558599324 /nfs/dbraw/zinc/59/93/24/558599324.db2.gz BIXQGCZPMWIDGP-HAHDFKILSA-N 0 0 414.530 5.774 50 30 HKEARN CC(=O)/C(=N\Nc1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000004472538 557556746 /nfs/dbraw/zinc/55/67/46/557556746.db2.gz AJRWTSZIMXOXNP-WEMUOSSPSA-N 0 0 412.518 5.850 50 30 HKEARN COc1ccc(OC)c(/C=C2\CC(C)C/C(=C\c3cc(OC)ccc3OC)C2=O)c1 ZINC000004472554 557556704 /nfs/dbraw/zinc/55/67/04/557556704.db2.gz FHTRKULRRAQYFA-KVOOEGMKSA-N 0 0 408.494 5.187 50 30 HKEARN N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1ccc(Cl)cc1 ZINC000004473103 558599027 /nfs/dbraw/zinc/59/90/27/558599027.db2.gz YQWPVDXQJJHKKG-QPLCGJKRSA-N 0 0 408.252 5.572 50 30 HKEARN CC(C)CN1C(=S)N=C(N[C@@H](COc2ccccc2)C(C)(C)C)C12CCCCC2 ZINC000004473693 558599195 /nfs/dbraw/zinc/59/91/95/558599195.db2.gz NLIADRBUYAUTJZ-FQEVSTJZSA-N 0 0 415.647 5.428 50 30 HKEARN O=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccccc23)ccc1/N=C/c1c[nH]c2ccccc12 ZINC000004473896 558599258 /nfs/dbraw/zinc/59/92/58/558599258.db2.gz MAQJUQYHQVSXFL-GVTKGSBISA-N 0 0 407.433 6.059 50 30 HKEARN O=C1N/C(=N\c2ccc3ccccc3c2)S/C1=C/c1cccc(Br)c1 ZINC000004473930 557557075 /nfs/dbraw/zinc/55/70/75/557557075.db2.gz IVENIWCITULZNM-WOJGMQOQSA-N 0 0 409.308 5.494 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O ZINC000004474414 568880019 /nfs/dbraw/zinc/88/00/19/568880019.db2.gz JWUBBDSIWDLEOM-DTOXIADCSA-N 0 0 400.647 6.734 50 30 endogenous,fda HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000004474621 557557224 /nfs/dbraw/zinc/55/72/24/557557224.db2.gz DFXNFEVVHGCMEE-WGOQTCKBSA-N 0 0 403.938 6.967 50 30 HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000004474668 568963715 /nfs/dbraw/zinc/96/37/15/568963715.db2.gz BJYLYJCXYAMOFT-RSFVBTMBSA-N 0 0 416.646 5.561 50 30 investigational HKEARN Fc1cccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000004475515 558597131 /nfs/dbraw/zinc/59/71/31/558597131.db2.gz GRDFNTQTDLBPKT-OQIFMASLSA-N 0 0 407.901 5.933 50 30 HKEARN Oc1cccc(-c2cs/c(=N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000004475517 558597153 /nfs/dbraw/zinc/59/71/53/558597153.db2.gz ZWSZVBKSJKTHIH-ZUOQFLAMSA-N 0 0 405.910 5.500 50 30 HKEARN C/C(=N\N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 ZINC000004475618 558597213 /nfs/dbraw/zinc/59/72/13/558597213.db2.gz NKDYBJGXIBHBFL-FUISUDAYSA-N 0 0 414.490 5.439 50 30 HKEARN CC(C)OC(=O)CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F ZINC000004476485 558597887 /nfs/dbraw/zinc/59/78/87/558597887.db2.gz JCTZFRASAADTQY-XKZIYDEJSA-N 0 0 405.829 5.135 50 30 HKEARN CC(C)(C)c1cc(CN=Nc2nncc(-c3ccccc3)n2)cc(C(C)(C)C)c1O ZINC000004476773 557557601 /nfs/dbraw/zinc/55/76/01/557557601.db2.gz NUYSZUPQBIXCFG-AFUMVMLFSA-N 0 0 403.530 5.285 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000004477832 557557617 /nfs/dbraw/zinc/55/76/17/557557617.db2.gz BMOGBOQCBNGHBO-VWLOTQADSA-N 0 0 420.528 6.159 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000004477833 557557585 /nfs/dbraw/zinc/55/75/85/557557585.db2.gz BMOGBOQCBNGHBO-RUZDIDTESA-N 0 0 420.528 6.159 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1OCC ZINC000004478041 558598702 /nfs/dbraw/zinc/59/87/02/558598702.db2.gz WGHUYNPWKUPMEZ-UYRXBGFRSA-N 0 0 414.914 5.195 50 30 HKEARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccccc2Cl)n1 ZINC000004480116 571304843 /nfs/dbraw/zinc/30/48/43/571304843.db2.gz OCRXMMJREZSVPD-VROXFSQNSA-N 0 0 411.214 5.915 50 30 HKEARN CC(C)(C)C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 ZINC000004480325 557558410 /nfs/dbraw/zinc/55/84/10/557558410.db2.gz YYEAYEJYWWZDBL-BUHFOSPRSA-N 0 0 406.526 5.552 50 30 HKEARN CS/C(=N/C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1 ZINC000004480926 557558434 /nfs/dbraw/zinc/55/84/34/557558434.db2.gz VUCTUWWTWBLEEL-ZQHSETAFSA-N 0 0 403.550 7.393 50 30 HKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 ZINC000004481078 558602639 /nfs/dbraw/zinc/60/26/39/558602639.db2.gz YYPQZNBTXYDEOA-KOEQRZSOSA-N 0 0 413.433 6.036 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004481871 558602806 /nfs/dbraw/zinc/60/28/06/558602806.db2.gz QPMQULAXXWBDFK-MTJSOVHGSA-N 0 0 402.317 5.417 50 30 HKEARN CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000004482006 558602800 /nfs/dbraw/zinc/60/28/00/558602800.db2.gz FJIVHKZWORNFLC-BLOQEJBCSA-N 0 0 402.544 6.217 50 30 HKEARN N#Cc1c(Cl)nc(N=NCc2ccccc2Br)c(Cl)c1Cl ZINC000004482065 558602815 /nfs/dbraw/zinc/60/28/15/558602815.db2.gz XMAJPJFEVPGLMR-KPSZGOFPSA-N 0 0 404.482 5.122 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CCC/C1=C\c1ccc(Cl)cc1Cl ZINC000004482195 557558606 /nfs/dbraw/zinc/55/86/06/557558606.db2.gz KZJYHNUZXHLSFI-VOMDNODZSA-N 0 0 412.143 7.520 50 30 HKEARN CCC1C/C(=C\c2ccc(NC(C)=O)cc2)C(=O)/C(=C/c2ccc(NC(C)=O)cc2)C1 ZINC000004482264 558602827 /nfs/dbraw/zinc/60/28/27/558602827.db2.gz RVXPMLMYDJUHRK-QAOSGDJLSA-N 0 0 416.521 5.460 50 30 HKEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000004485640 558603765 /nfs/dbraw/zinc/60/37/65/558603765.db2.gz OKUFHYJDPXWZRQ-ZDUSSCGKSA-N 0 0 401.919 5.004 50 30 HKEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000004485641 558603754 /nfs/dbraw/zinc/60/37/54/558603754.db2.gz OKUFHYJDPXWZRQ-CYBMUJFWSA-N 0 0 401.919 5.004 50 30 HKEARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000004487762 558601191 /nfs/dbraw/zinc/60/11/91/558601191.db2.gz ZONXMJZDINPXNO-UHFFFAOYSA-N 0 0 403.438 5.235 50 30 HKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000004491533 557559366 /nfs/dbraw/zinc/55/93/66/557559366.db2.gz OKLHEIUDYBQWMT-PXLXIMEGSA-N 0 0 416.502 5.166 50 30 HKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000004491596 558609594 /nfs/dbraw/zinc/60/95/94/558609594.db2.gz GQZNYDWOEPMYKG-PXLXIMEGSA-N 0 0 400.503 5.466 50 30 HKEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)c1 ZINC000004491626 557559395 /nfs/dbraw/zinc/55/93/95/557559395.db2.gz NAQSKMRTTLRKTJ-PXLXIMEGSA-N 0 0 400.503 5.466 50 30 HKEARN CCc1cc(SCc2nnc(-c3ccccc3)o2)n2c3ccccc3nc2c1C#N ZINC000004492201 558609692 /nfs/dbraw/zinc/60/96/92/558609692.db2.gz GMUSJWXKZUDLNJ-UHFFFAOYSA-N 0 0 411.490 5.264 50 30 HKEARN COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2cccc(Cl)c2)cc1 ZINC000004498647 558612266 /nfs/dbraw/zinc/61/22/66/558612266.db2.gz JLTBUHYLERQOMI-QVGKIPNLSA-N 0 0 405.885 5.339 50 30 HKEARN COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2cccc(Cl)c2)cc1 ZINC000004498652 558612309 /nfs/dbraw/zinc/61/23/09/558612309.db2.gz JLTBUHYLERQOMI-WGLQLPMYSA-N 0 0 405.885 5.339 50 30 HKEARN COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 ZINC000004498654 558612226 /nfs/dbraw/zinc/61/22/26/558612226.db2.gz YJFYAMFPNGQGJZ-QVGKIPNLSA-N 0 0 405.885 5.339 50 30 HKEARN COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 ZINC000004498656 558612204 /nfs/dbraw/zinc/61/22/04/558612204.db2.gz YJFYAMFPNGQGJZ-WGLQLPMYSA-N 0 0 405.885 5.339 50 30 HKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000004501746 558615195 /nfs/dbraw/zinc/61/51/95/558615195.db2.gz BHBZYHBVPPOZLC-MFKUBSTISA-N 0 0 420.534 5.647 50 30 HKEARN Cc1c(Cl)cccc1-c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000004502044 558615464 /nfs/dbraw/zinc/61/54/64/558615464.db2.gz GKJCQZCYZVGZNX-JRXWSOMVSA-N 0 0 400.734 6.050 50 30 HKEARN C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br ZINC000004503127 557560603 /nfs/dbraw/zinc/56/06/03/557560603.db2.gz JKEJVUKWMVDNEQ-WSDLNYQXSA-N 0 0 401.329 5.576 50 30 HKEARN CCOc1cc(/C=N\OCc2ccccc2)ccc1Oc1nc(Cl)ncc1F ZINC000004503471 558615884 /nfs/dbraw/zinc/61/58/84/558615884.db2.gz DSENJYDPUMRZEO-MYKKPKGFSA-N 0 0 401.825 5.011 50 30 HKEARN C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(-c2ccc(-n3cnnn3)cc2)o1 ZINC000004507676 557561626 /nfs/dbraw/zinc/56/16/26/557561626.db2.gz DWDMYNGRYLVSHB-ONUIUJJFSA-N 0 0 406.449 5.095 50 30 HKEARN O=S(=O)(N=C(Nc1cccc2ccccc21)c1ccccc1)c1ccc(F)cc1 ZINC000004508308 558622419 /nfs/dbraw/zinc/62/24/19/558622419.db2.gz FBUBFNPJRYRPSL-UHFFFAOYSA-N 0 0 404.466 5.227 50 30 HKEARN Cn1c(=O)c(C(=O)/C=C/c2cccs2)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000004510467 560860242 /nfs/dbraw/zinc/86/02/42/560860242.db2.gz WVZODKFFVLAGLX-ZRDIBKRKSA-N 0 0 405.906 5.817 50 30 HKEARN C=CCn1c(/C=C(/OC(=O)c2ccc(C)cc2)c2ccc(C)cc2)nc2ccccc21 ZINC000004512241 568963745 /nfs/dbraw/zinc/96/37/45/568963745.db2.gz DPFSZKOKCNRACH-XIEYBQDHSA-N 0 0 408.501 6.194 50 30 HKEARN Brc1ccc(OCc2cccc3ccccc32)c(C=Nc2nc[nH]n2)c1 ZINC000004512337 558625743 /nfs/dbraw/zinc/62/57/43/558625743.db2.gz HYIFBPAJEVUBGP-SSDVNMTOSA-N 0 0 407.271 5.050 50 30 HKEARN Cc1ccc(SCCOc2cccc(C=NNc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000004512383 558625711 /nfs/dbraw/zinc/62/57/11/558625711.db2.gz VJENOMDQYGQEFB-XQNSMLJCSA-N 0 0 407.495 5.520 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)SC1=S ZINC000004512556 568963902 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CCOC(=O)c1ccc(N=NC(C)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004519737 558638371 /nfs/dbraw/zinc/63/83/71/558638371.db2.gz GTCKIRQAHAYEDX-LFVJCYFKSA-N 0 0 403.438 5.275 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc1 ZINC000004523258 557563512 /nfs/dbraw/zinc/56/35/12/557563512.db2.gz BIMZOCRPOBRNHL-SILNSSARSA-N 0 0 401.437 6.179 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2)c2nc3ccccc3o2)cc1 ZINC000004523260 557563437 /nfs/dbraw/zinc/56/34/37/557563437.db2.gz AGNUDXZJENZPBB-XLNRJJMWSA-N 0 0 413.473 6.049 50 30 HKEARN O=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000004523854 558652527 /nfs/dbraw/zinc/65/25/27/558652527.db2.gz JEIJASCQJQMZKP-DBSKITMISA-N 0 0 404.922 6.144 50 30 HKEARN O=[N+]([O-])c1ccc(/C(=N\Nc2ccccc2)Sc2cccc3cccnc32)cc1 ZINC000004523900 558652525 /nfs/dbraw/zinc/65/25/25/558652525.db2.gz ZSMVCPDJQWLLMS-YYDJUVGSSA-N 0 0 400.463 5.709 50 30 HKEARN CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000004524026 558652488 /nfs/dbraw/zinc/65/24/88/558652488.db2.gz JGEMMJKZBGCFMD-WYMLVPIESA-N 0 0 408.881 6.453 50 30 HKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccs1 ZINC000004524107 558652503 /nfs/dbraw/zinc/65/25/03/558652503.db2.gz DZYYUORLYUZHJP-CIAFOILYSA-N 0 0 409.492 5.032 50 30 HKEARN Cc1ccccc1NC(=O)c1ccc(N=NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004524349 558653965 /nfs/dbraw/zinc/65/39/65/558653965.db2.gz XKDQWMPATVLMFQ-YDZHTSKRSA-N 0 0 408.845 5.255 50 30 HKEARN COc1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccc(OC)cc2)cc1 ZINC000004524583 558654317 /nfs/dbraw/zinc/65/43/17/558654317.db2.gz HXUCKLNVRHAGHX-YVDGFICZSA-N 0 0 417.494 5.871 50 30 HKEARN O=[N+]([O-])c1cccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)c1 ZINC000004524587 558654301 /nfs/dbraw/zinc/65/43/01/558654301.db2.gz JGNHAMBOSBTXNZ-UGXHBQBLSA-N 0 0 402.439 5.762 50 30 HKEARN N#Cc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O ZINC000004525898 558653442 /nfs/dbraw/zinc/65/34/42/558653442.db2.gz QPBXJDLKXQSIGI-UHFFFAOYSA-N 0 0 415.448 5.753 50 30 HKEARN COc1ccc(-c2nc(N=NCc3ccc(Br)cc3)sc2C)c(F)c1 ZINC000004528523 571308709 /nfs/dbraw/zinc/30/87/09/571308709.db2.gz LOBLLXNMVDQDEX-UFFVCSGVSA-N 0 0 420.307 5.475 50 30 HKEARN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc2c(c1)OCCO2 ZINC000004528725 568963838 /nfs/dbraw/zinc/96/38/38/568963838.db2.gz IZCQNVZDBCFVOT-ATJXCDBQSA-N 0 0 419.333 5.713 50 30 HKEARN C=CCn1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccc2c(c1)OCCO2 ZINC000004528726 568963905 /nfs/dbraw/zinc/96/39/05/568963905.db2.gz UNUBVSKPFDMBDQ-FLFQWRMESA-N 0 0 416.449 5.008 50 30 HKEARN COc1ccccc1/C=C/C=C1\CC(C)C/C(=C\C=C\c2ccccc2OC)C1=O ZINC000004531640 569071376 /nfs/dbraw/zinc/07/13/76/569071376.db2.gz KFKWEFLYSAEENV-GDJDMGBCSA-N 0 0 400.518 6.282 50 30 HKEARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CC/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000004531644 557564073 /nfs/dbraw/zinc/56/40/73/557564073.db2.gz DCPPNJRUQCDLMZ-HFNKUYHDSA-N 0 0 402.406 5.445 50 30 HKEARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CCC/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000004531645 557564111 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Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000004537185 558656454 /nfs/dbraw/zinc/65/64/54/558656454.db2.gz LMYCOIYYOHPFGZ-JXMROGBWSA-N 0 0 412.239 5.822 50 30 HKEARN C=CCc1cccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc21 ZINC000004537264 558656770 /nfs/dbraw/zinc/65/67/70/558656770.db2.gz SSBKSGTZMMTUIT-BYYHNAKLSA-N 0 0 409.445 6.189 50 30 HKEARN C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccco1 ZINC000004538340 558661238 /nfs/dbraw/zinc/66/12/38/558661238.db2.gz JDMYPLCCAXETIE-UHFFFAOYSA-N 0 0 416.506 5.269 50 30 HKEARN CCCCc1ccc(NCC(=O)/C=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 ZINC000004541962 569012491 /nfs/dbraw/zinc/01/24/91/569012491.db2.gz GOYQDYOXKPJVKH-VAWYXSNFSA-N 0 0 423.940 6.646 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3c(c2)ncn3-c2ccc(Br)cc2)o1 ZINC000004543045 569012533 /nfs/dbraw/zinc/01/25/33/569012533.db2.gz MLZXMEPRDSZRFE-KEBDBYFISA-N 0 0 411.215 5.040 50 30 HKEARN COC(=O)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004543548 557565084 /nfs/dbraw/zinc/56/50/84/557565084.db2.gz XXVDEYGEAXCZNN-XMMPIXPASA-N 0 0 412.489 5.331 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000004543619 557565257 /nfs/dbraw/zinc/56/52/57/557565257.db2.gz MHDDOGAJIRJSFX-JOCHJYFZSA-N 0 0 421.462 7.059 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000004543622 557565254 /nfs/dbraw/zinc/56/52/54/557565254.db2.gz MHDDOGAJIRJSFX-QFIPXVFZSA-N 0 0 421.462 7.059 50 30 HKEARN CC/N=C1\S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC ZINC000004543635 558664062 /nfs/dbraw/zinc/66/40/62/558664062.db2.gz ILVAEVGKPQQNAQ-RRJMXWIWSA-N 0 0 407.514 5.141 50 30 HKEARN CCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004543845 558664070 /nfs/dbraw/zinc/66/40/70/558664070.db2.gz LKUUYSXRSDLPGQ-HHHXNRCGSA-N 0 0 411.545 6.938 50 30 HKEARN CCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004543846 558664055 /nfs/dbraw/zinc/66/40/55/558664055.db2.gz LKUUYSXRSDLPGQ-MHZLTWQESA-N 0 0 411.545 6.938 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000004544184 557565220 /nfs/dbraw/zinc/56/52/20/557565220.db2.gz VIMTWHUJXXKFTN-PXFLKNCJSA-N 0 0 422.550 5.395 50 30 HKEARN N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004544562 558662032 /nfs/dbraw/zinc/66/20/32/558662032.db2.gz FLVWMFZZOQDSLI-HYARGMPZSA-N 0 0 412.470 5.378 50 30 HKEARN Cc1cccc(C)c1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000004545196 558664551 /nfs/dbraw/zinc/66/45/51/558664551.db2.gz LFSIRNRRFGLBJK-KOEQRZSOSA-N 0 0 419.481 5.506 50 30 HKEARN CCCOc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 ZINC000004545626 558664806 /nfs/dbraw/zinc/66/48/06/558664806.db2.gz SCLCIDMYSZOMNG-UQQQWYQISA-N 0 0 418.518 5.094 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000004545628 558664818 /nfs/dbraw/zinc/66/48/18/558664818.db2.gz RSIOQRFUJGTMTP-IPISDEMTSA-N 0 0 416.590 6.902 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000004545629 558664877 /nfs/dbraw/zinc/66/48/77/558664877.db2.gz RSIOQRFUJGTMTP-VEMGOHLESA-N 0 0 416.590 6.902 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CCCC2 ZINC000004545632 558664842 /nfs/dbraw/zinc/66/48/42/558664842.db2.gz QPHMWJPEFUYZNS-MFKUBSTISA-N 0 0 405.523 5.424 50 30 HKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCCC3)cc1 ZINC000004545633 558664886 /nfs/dbraw/zinc/66/48/86/558664886.db2.gz WSOVCUWVKRGJSY-ZVHZXABRSA-N 0 0 408.523 5.930 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccs2)CCC3)c(OC)c1 ZINC000004545636 558664892 /nfs/dbraw/zinc/66/48/92/558664892.db2.gz PWTCDJOPJYXDJS-WSDLNYQXSA-N 0 0 412.536 5.318 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1 ZINC000004545637 558664838 /nfs/dbraw/zinc/66/48/38/558664838.db2.gz NXHWRECWJHFCIS-ZVHZXABRSA-N 0 0 406.507 5.257 50 30 HKEARN CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)cc1 ZINC000004545639 558665123 /nfs/dbraw/zinc/66/51/23/558665123.db2.gz SOIJLWQKAJHEGZ-AFUMVMLFSA-N 0 0 408.498 5.778 50 30 HKEARN CCOc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(OC)cc1)CCC2 ZINC000004545642 558663461 /nfs/dbraw/zinc/66/34/61/558663461.db2.gz KUSNFNHGZXKYFW-MFKUBSTISA-N 0 0 420.534 5.647 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CC[C@@H](C)C2 ZINC000004545647 558663494 /nfs/dbraw/zinc/66/34/94/558663494.db2.gz DFPGWEAWYGYZKP-KSXCTLEASA-N 0 0 419.550 5.670 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CC[C@H](C)C2 ZINC000004545648 558663533 /nfs/dbraw/zinc/66/35/33/558663533.db2.gz DFPGWEAWYGYZKP-WBILBPDKSA-N 0 0 419.550 5.670 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CC[C@@H](C)C2 ZINC000004545649 558663508 /nfs/dbraw/zinc/66/35/08/558663508.db2.gz XQFGZNMCABGIIH-KSXCTLEASA-N 0 0 419.550 5.670 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CC[C@H](C)C2 ZINC000004545650 558663703 /nfs/dbraw/zinc/66/37/03/558663703.db2.gz XQFGZNMCABGIIH-WBILBPDKSA-N 0 0 419.550 5.670 50 30 HKEARN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004545682 558664241 /nfs/dbraw/zinc/66/42/41/558664241.db2.gz IKXSLOXNSLCXMA-SSDVNMTOSA-N 0 0 404.322 6.128 50 30 HKEARN CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCC3)cc1 ZINC000004545788 558668318 /nfs/dbraw/zinc/66/83/18/558668318.db2.gz JZKAOUAVKDTOPV-ZVHZXABRSA-N 0 0 408.523 5.930 50 30 HKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccccn3)sc3c2CCCCC3)cc1 ZINC000004545790 558668302 /nfs/dbraw/zinc/66/83/02/558668302.db2.gz IOKJRAABTGNBHS-MFKUBSTISA-N 0 0 405.523 5.424 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(F)c2)CCCCC3)cc1 ZINC000004545791 558668227 /nfs/dbraw/zinc/66/82/27/558668227.db2.gz XGDQXRMEBUHNHX-CVKSISIWSA-N 0 0 422.525 6.168 50 30 HKEARN COc1ccc(NC(=O)c2c(/N=C/c3cccnc3)sc3c2CCCCC3)cc1 ZINC000004545793 558668224 /nfs/dbraw/zinc/66/82/24/558668224.db2.gz XQIVZLPJRMAFJD-MFKUBSTISA-N 0 0 405.523 5.424 50 30 HKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCCC3)cc1 ZINC000004545794 558668274 /nfs/dbraw/zinc/66/82/74/558668274.db2.gz ASLXCLALVQJCIP-MFKUBSTISA-N 0 0 405.523 5.424 50 30 HKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)CCC3)cc1 ZINC000004545795 558668315 /nfs/dbraw/zinc/66/83/15/558668315.db2.gz SBOXKZPQQZHPOR-MFKUBSTISA-N 0 0 420.534 5.647 50 30 HKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(OC)c2)CCC3)cc1 ZINC000004545796 558668294 /nfs/dbraw/zinc/66/82/94/558668294.db2.gz UCEUPHWUHKVMLZ-MFKUBSTISA-N 0 0 420.534 5.647 50 30 HKEARN Cc1ccccc1[C@@H](C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004546708 557565601 /nfs/dbraw/zinc/56/56/01/557565601.db2.gz NDPBHOYZNNPVBK-XZOQPEGZSA-N 0 0 408.328 6.966 50 30 HKEARN Cc1ccccc1[C@H](C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004546732 557565591 /nfs/dbraw/zinc/56/55/91/557565591.db2.gz NDPBHOYZNNPVBK-GOTSBHOMSA-N 0 0 408.328 6.966 50 30 HKEARN Cc1ccccc1[C@H](C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004546734 557565696 /nfs/dbraw/zinc/56/56/96/557565696.db2.gz NDPBHOYZNNPVBK-PKTZIBPZSA-N 0 0 408.328 6.966 50 30 HKEARN O=C1/C(=C/c2cccc(Br)c2)CC/C1=C\c1cccc(Br)c1 ZINC000004547071 557565698 /nfs/dbraw/zinc/56/56/98/557565698.db2.gz MQKBSTJEWWWOFG-KAVGSWPWSA-N 0 0 418.128 6.042 50 30 HKEARN O=C1/C(=C/c2ccc(Br)cc2)CC/C1=C\c1ccc(Br)cc1 ZINC000004547073 557565595 /nfs/dbraw/zinc/56/55/95/557565595.db2.gz GCQBWBIALSMYGO-JOBJLJCHSA-N 0 0 418.128 6.042 50 30 HKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)CCC/C1=C\c1c(Cl)cccc1Cl ZINC000004547094 569255365 /nfs/dbraw/zinc/25/53/65/569255365.db2.gz QGRADUQJYBJJER-DCIPZJNNSA-N 0 0 412.143 7.520 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000004547100 557565688 /nfs/dbraw/zinc/56/56/88/557565688.db2.gz KGCULKJZSULNHU-VOMDNODZSA-N 0 0 412.143 7.520 50 30 HKEARN COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000004547104 557565670 /nfs/dbraw/zinc/56/56/70/557565670.db2.gz ROLCMYQRKXGMSQ-KVOOEGMKSA-N 0 0 408.494 5.187 50 30 HKEARN COc1ccc(OC)c(/C=C2\CCCC/C(=C\c3cc(OC)ccc3OC)C2=O)c1 ZINC000004547118 557565701 /nfs/dbraw/zinc/56/57/01/557565701.db2.gz QOVCHXXDOAJPKQ-HBKJEHTGSA-N 0 0 408.494 5.331 50 30 HKEARN COc1ccc(/C=C2\CCCC/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000004547119 557565639 /nfs/dbraw/zinc/56/56/39/557565639.db2.gz OVCPLBUUFUNPLX-IWGRKNQJSA-N 0 0 408.494 5.331 50 30 HKEARN COc1ccc(/C=C2\CCCC/C(=C\c3ccc(OC)cc3OC)C2=O)c(OC)c1 ZINC000004547150 557565878 /nfs/dbraw/zinc/56/58/78/557565878.db2.gz JOEHPTFLXCYVFX-IWGRKNQJSA-N 0 0 408.494 5.331 50 30 HKEARN CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)c(OC)c1)C(C)(C)CCC2(C)C ZINC000004547513 558664999 /nfs/dbraw/zinc/66/49/99/558664999.db2.gz ALGRRZOEYZOETR-ODBZBXGJSA-N 0 0 406.570 6.155 50 30 HKEARN Cc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000004547592 557565816 /nfs/dbraw/zinc/56/58/16/557565816.db2.gz ARVVKKTUCJQZBQ-LPHFKDDMSA-N 0 0 421.584 6.472 50 30 HKEARN CC(C)(C)C1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000004547727 291283597 /nfs/dbraw/zinc/28/35/97/291283597.db2.gz HFQJNTCXZXGVNC-GCBPPVMSSA-N 0 0 418.489 5.636 50 30 HKEARN CCOc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000004547731 557565938 /nfs/dbraw/zinc/56/59/38/557565938.db2.gz ZRNQHMSHMFIEKZ-LKNRODPVSA-N 0 0 418.577 6.976 50 30 HKEARN CCCCCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000004547843 558665266 /nfs/dbraw/zinc/66/52/66/558665266.db2.gz IDCNRSMEXDCVSD-SGWCAAJKSA-N 0 0 409.533 6.859 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000004548474 558672627 /nfs/dbraw/zinc/67/26/27/558672627.db2.gz VKJRRUFBVMMRHE-FQEVSTJZSA-N 0 0 402.416 5.807 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000004548477 558672496 /nfs/dbraw/zinc/67/24/96/558672496.db2.gz VKJRRUFBVMMRHE-HXUWFJFHSA-N 0 0 402.416 5.807 50 30 HKEARN Cc1ccc(OCCOc2ccccc2)c(/C=N/NC(=S)Nc2ccccc2C)c1 ZINC000004548740 558672728 /nfs/dbraw/zinc/67/27/28/558672728.db2.gz RQIDETOGWKFZHE-KOEQRZSOSA-N 0 0 419.550 5.082 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000004548748 558672800 /nfs/dbraw/zinc/67/28/00/558672800.db2.gz FMOQIPJYTNGFFY-QGZVFWFLSA-N 0 0 402.563 6.566 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000004548750 558672802 /nfs/dbraw/zinc/67/28/02/558672802.db2.gz FMOQIPJYTNGFFY-KRWDZBQOSA-N 0 0 402.563 6.566 50 30 HKEARN Cc1cccc(OCCCOc2cccc(C=NNc3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000004548792 558672791 /nfs/dbraw/zinc/67/27/91/558672791.db2.gz AMJBZVOFBMWLNT-KOEQRZSOSA-N 0 0 419.481 5.506 50 30 HKEARN O=C(Nc1cccc(/N=C/c2c(O)ccc3ccccc32)c1)c1cccc(Cl)c1 ZINC000004548980 557565881 /nfs/dbraw/zinc/56/58/81/557565881.db2.gz QBJSCLJFEGINJZ-CVKSISIWSA-N 0 0 400.865 6.202 50 30 HKEARN Cn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000004549047 558672799 /nfs/dbraw/zinc/67/27/99/558672799.db2.gz BRLJNRBPIZLCBR-CVKSISIWSA-N 0 0 419.594 5.932 50 30 HKEARN Cc1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000004549348 558673112 /nfs/dbraw/zinc/67/31/12/558673112.db2.gz SYHBFQLQQZUDKP-JJIBRWJFSA-N 0 0 405.454 5.197 50 30 HKEARN CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000004549624 558673703 /nfs/dbraw/zinc/67/37/03/558673703.db2.gz ZNNNNYHEOJOGGW-CPNJWEJPSA-N 0 0 401.509 7.378 50 30 HKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 ZINC000004550913 569255388 /nfs/dbraw/zinc/25/53/88/569255388.db2.gz KBJSKRQKNHIKRH-UHFFFAOYSA-N 0 0 409.898 5.013 50 30 HKEARN C(=NN=c1[nH]c2ccccc2s1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000004550931 558683130 /nfs/dbraw/zinc/68/31/30/558683130.db2.gz WEHAEYQGJLSVRU-WGOQTCKBSA-N 0 0 409.514 6.475 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2C)SC1=S ZINC000004550957 569255505 /nfs/dbraw/zinc/25/55/05/569255505.db2.gz QGDHRGSYBAWYLK-UNOMPAQXSA-N 0 0 415.967 5.615 50 30 HKEARN CCc1cc(C)cc(OCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000004550960 569255511 /nfs/dbraw/zinc/25/55/11/569255511.db2.gz MFUKXXBKIOVQBF-KOEQRZSOSA-N 0 0 419.481 5.369 50 30 HKEARN Cc1ccc(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000004550990 569255506 /nfs/dbraw/zinc/25/55/06/569255506.db2.gz LKZXGBBAGTYENN-KOEQRZSOSA-N 0 0 419.481 5.506 50 30 HKEARN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004551119 558686230 /nfs/dbraw/zinc/68/62/30/558686230.db2.gz UXUZAERJYAMQDU-YESGMZSQSA-N 0 0 406.313 6.757 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000004551146 557566096 /nfs/dbraw/zinc/56/60/96/557566096.db2.gz QECRWGRTTJWTIU-NPMXOYFQSA-N 0 0 417.490 5.636 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000004551147 557566089 /nfs/dbraw/zinc/56/60/89/557566089.db2.gz QECRWGRTTJWTIU-WNSKOXEYSA-N 0 0 417.490 5.636 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000004551148 557566130 /nfs/dbraw/zinc/56/61/30/557566130.db2.gz QECRWGRTTJWTIU-IQMFZBJNSA-N 0 0 417.490 5.636 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000004551149 557566115 /nfs/dbraw/zinc/56/61/15/557566115.db2.gz QECRWGRTTJWTIU-CMJOXMDJSA-N 0 0 417.490 5.636 50 30 HKEARN CC(C)CC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1 ZINC000004551539 558701466 /nfs/dbraw/zinc/70/14/66/558701466.db2.gz FHAYBRBQEFZHQC-UHFFFAOYSA-N 0 0 423.516 6.320 50 30 HKEARN COCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 ZINC000004551616 557566028 /nfs/dbraw/zinc/56/60/28/557566028.db2.gz KVTBPJFVUDQBSN-WMOWQXFYSA-N 0 0 418.518 5.099 50 30 HKEARN O=C(/C=C/C=C/c1ccccc1)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000004552151 557566118 /nfs/dbraw/zinc/56/61/18/557566118.db2.gz IAQJRFNVOKWGSW-HPIZBCMHSA-N 0 0 422.440 5.556 50 30 HKEARN Cc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCCC3)c(C)c1 ZINC000004553648 558720829 /nfs/dbraw/zinc/72/08/29/558720829.db2.gz GXIQYHCFXMWRDE-VULFUBBASA-N 0 0 406.526 6.386 50 30 HKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(F)cc1)CCCC2 ZINC000004554184 558721388 /nfs/dbraw/zinc/72/13/88/558721388.db2.gz YNEONYSUOBFIJW-AFUMVMLFSA-N 0 0 408.498 5.778 50 30 HKEARN CCc1ccccc1NC(=O)c1c(/N=C/c2cccc(F)c2)sc2c1CCCC2 ZINC000004554187 558721411 /nfs/dbraw/zinc/72/14/11/558721411.db2.gz PEHRYWKKVXYAAX-CVKSISIWSA-N 0 0 406.526 6.331 50 30 HKEARN CCc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 ZINC000004554188 558721395 /nfs/dbraw/zinc/72/13/95/558721395.db2.gz HHBAPGXGXVYSJP-CVKSISIWSA-N 0 0 406.526 6.331 50 30 HKEARN CCc1ccccc1NC(=O)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCC2 ZINC000004554189 558721347 /nfs/dbraw/zinc/72/13/47/558721347.db2.gz QACSSDFFENCQDS-MFKUBSTISA-N 0 0 404.535 5.898 50 30 HKEARN Cc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCCC3)cc1C ZINC000004554190 558721364 /nfs/dbraw/zinc/72/13/64/558721364.db2.gz YCVLOWYYBZPDNU-VULFUBBASA-N 0 0 406.526 6.386 50 30 HKEARN Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3F)sc3c2CCCC3)cc1C ZINC000004554191 558721360 /nfs/dbraw/zinc/72/13/60/558721360.db2.gz NEWRMFGWPTZYNP-VULFUBBASA-N 0 0 406.526 6.386 50 30 HKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCC3)c(OC)c1 ZINC000004554193 558721444 /nfs/dbraw/zinc/72/14/44/558721444.db2.gz ATBJPAMZOPYAKG-ZVHZXABRSA-N 0 0 406.507 5.257 50 30 HKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(F)cc1)C[C@H](C)CC2 ZINC000004554196 558721354 /nfs/dbraw/zinc/72/13/54/558721354.db2.gz YNBSOCWRJULGQW-NXYZXBHKSA-N 0 0 422.525 6.024 50 30 HKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(F)cc1)C[C@@H](C)CC2 ZINC000004554198 558721398 /nfs/dbraw/zinc/72/13/98/558721398.db2.gz YNBSOCWRJULGQW-IXORVSQSSA-N 0 0 422.525 6.024 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004554199 558721451 /nfs/dbraw/zinc/72/14/51/558721451.db2.gz IAGRSTSUEVPBRR-KSXCTLEASA-N 0 0 402.563 6.493 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000004554201 558721447 /nfs/dbraw/zinc/72/14/47/558721447.db2.gz IAGRSTSUEVPBRR-WBILBPDKSA-N 0 0 402.563 6.493 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000004554202 558721436 /nfs/dbraw/zinc/72/14/36/558721436.db2.gz AMZCRDQGRYPGIL-PJAVDKHJSA-N 0 0 420.553 6.632 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000004554204 558721659 /nfs/dbraw/zinc/72/16/59/558721659.db2.gz AMZCRDQGRYPGIL-FYDYWCEBSA-N 0 0 420.553 6.632 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2F)sc2c1CC[C@@H](C)C2 ZINC000004554205 558721694 /nfs/dbraw/zinc/72/16/94/558721694.db2.gz KCJONXCMOFHBSK-PJAVDKHJSA-N 0 0 420.553 6.632 50 30 HKEARN Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2F)sc2c1CC[C@H](C)C2 ZINC000004554207 558721706 /nfs/dbraw/zinc/72/17/06/558721706.db2.gz KCJONXCMOFHBSK-FYDYWCEBSA-N 0 0 420.553 6.632 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000004554792 558678696 /nfs/dbraw/zinc/67/86/96/558678696.db2.gz XLILSTDJSUNPIC-MRXNPFEDSA-N 0 0 402.519 5.576 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000004554793 558678731 /nfs/dbraw/zinc/67/87/31/558678731.db2.gz XLILSTDJSUNPIC-INIZCTEOSA-N 0 0 402.519 5.576 50 30 HKEARN CN1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000004555381 558724390 /nfs/dbraw/zinc/72/43/90/558724390.db2.gz YHOCQKFJGXAPCC-ZMOGYAJESA-N 0 0 409.942 5.392 50 30 HKEARN Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(/N=C/c3ccccc3)C2=O)cc1 ZINC000004558349 558723899 /nfs/dbraw/zinc/72/38/99/558723899.db2.gz MLJGUFPDQXWONS-TWKHWXDSSA-N 0 0 416.524 6.019 50 30 HKEARN Cc1cccc(OCCn2cc(C=NNc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 ZINC000004561354 557568053 /nfs/dbraw/zinc/56/80/53/557568053.db2.gz YVFHZKCYVUXCGW-PCLIKHOPSA-N 0 0 414.465 5.383 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000004561479 557568012 /nfs/dbraw/zinc/56/80/12/557568012.db2.gz PJIIRUCKTWKHRJ-FYSMJZIKSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000004561482 557567999 /nfs/dbraw/zinc/56/79/99/557567999.db2.gz PJIIRUCKTWKHRJ-GYCJOSAFSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000004561483 557568089 /nfs/dbraw/zinc/56/80/89/557568089.db2.gz PJIIRUCKTWKHRJ-VOIUYBSRSA-N 0 0 402.519 5.736 50 30 HKEARN Cc1ccc(-c2csc(N=NCc3ccc(N(C)C)c(Br)c3)n2)cc1 ZINC000004561901 558732113 /nfs/dbraw/zinc/73/21/13/558732113.db2.gz SERYKCLHWDWLJZ-SRZZPIQSSA-N 0 0 415.360 5.393 50 30 HKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000004562004 557568279 /nfs/dbraw/zinc/56/82/79/557568279.db2.gz QQUBFAWTJTXZQP-NIYFSFCBSA-N 0 0 414.574 6.532 50 30 HKEARN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000004562452 558732459 /nfs/dbraw/zinc/73/24/59/558732459.db2.gz KNAKDKAHYTXVFA-UDWIEESQSA-N 0 0 406.894 5.013 50 30 HKEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 ZINC000004565085 558730429 /nfs/dbraw/zinc/73/04/29/558730429.db2.gz RRGHRVIMQASNHL-LPYMAVHISA-N 0 0 411.255 5.687 50 30 HKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1O ZINC000004565200 558730449 /nfs/dbraw/zinc/73/04/49/558730449.db2.gz ACXUKMHZPUOYPO-YFGQCYJXSA-N 0 0 422.550 5.728 50 30 HKEARN CCCCCOc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004565438 558730410 /nfs/dbraw/zinc/73/04/10/558730410.db2.gz WPEAFZQXSOXUCZ-PCLIKHOPSA-N 0 0 413.974 6.869 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004566042 557568287 /nfs/dbraw/zinc/56/82/87/557568287.db2.gz MVZHHFFBTZUAQB-FMIVXFBMSA-N 0 0 404.462 5.188 50 30 HKEARN Cc1ccc(C(=O)/C=C\c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000004567170 558730655 /nfs/dbraw/zinc/73/06/55/558730655.db2.gz XWJAMQNDCPTXIN-ZROIWOOFSA-N 0 0 420.530 5.584 50 30 HKEARN O=C(C=C(CC(=O)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000004568108 557568478 /nfs/dbraw/zinc/56/84/78/557568478.db2.gz XSZUWZOPRPWYRK-HMMYKYKNSA-N 0 0 405.291 5.988 50 30 HKEARN C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 ZINC000004568496 568963894 /nfs/dbraw/zinc/96/38/94/568963894.db2.gz QLYLUWPXWSZGAH-UHFFFAOYSA-N 0 0 408.567 5.392 50 30 HKEARN CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1 ZINC000004572828 557568955 /nfs/dbraw/zinc/56/89/55/557568955.db2.gz NPTIUJHQTGWUKR-VHAJSEAWSA-N 0 0 423.582 5.407 50 30 HKEARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1 ZINC000004572830 557569097 /nfs/dbraw/zinc/56/90/97/557569097.db2.gz NPTIUJHQTGWUKR-AGHKFTSRSA-N 0 0 423.582 5.407 50 30 HKEARN COc1ccc(CCN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC ZINC000004575688 569255488 /nfs/dbraw/zinc/25/54/88/569255488.db2.gz BGSWZXSRYMKRQH-UHFFFAOYSA-N 0 0 414.332 6.091 50 30 HKEARN O=c1oc2ccc3ccccc3c2cc1-c1cnc(N=NCc2ccccc2O)s1 ZINC000004575725 569255587 /nfs/dbraw/zinc/25/55/87/569255587.db2.gz FSOKFTQJGGCQDL-BRJLIKDPSA-N 0 0 413.458 5.221 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccccc2)C1 ZINC000004575910 557569377 /nfs/dbraw/zinc/56/93/77/557569377.db2.gz OQPDXRJRDALZIQ-NRFANRHFSA-N 0 0 416.550 5.229 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccccc2)C1 ZINC000004575911 557569458 /nfs/dbraw/zinc/56/94/58/557569458.db2.gz OQPDXRJRDALZIQ-OAQYLSRUSA-N 0 0 416.550 5.229 50 30 HKEARN COc1c(Cl)cc(Cl)cc1/C=N/N=C/c1cc(Cl)cc(Cl)c1OC ZINC000004576022 569255578 /nfs/dbraw/zinc/25/55/78/569255578.db2.gz QGRJMWNFVIZASR-KVJLFNRQSA-N 0 0 406.096 5.770 50 30 HKEARN Cc1c(Br)c2c(C)c(c1C#N)CSCc1cccc(c1C)CSC2 ZINC000004576593 568921438 /nfs/dbraw/zinc/92/14/38/568921438.db2.gz UTWBRMMPZBGUKZ-UHFFFAOYSA-N 0 0 418.425 6.426 50 30 HKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C(C)C)cc1 ZINC000004576609 557569415 /nfs/dbraw/zinc/56/94/15/557569415.db2.gz QJSCDOPGEURGPG-AGHKFTSRSA-N 0 0 423.582 5.407 50 30 HKEARN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000004577646 557569654 /nfs/dbraw/zinc/56/96/54/557569654.db2.gz GPSJHRHIRKAHJK-KEBDBYFISA-N 0 0 400.778 5.171 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000004577762 557569614 /nfs/dbraw/zinc/56/96/14/557569614.db2.gz OKYPGSCIYLNOII-ODHVPASWSA-N 0 0 424.258 5.915 50 30 HKEARN COc1ccccc1N=NC(N=Nc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000004577764 557569651 /nfs/dbraw/zinc/56/96/51/557569651.db2.gz RIXDFCHHUHEJNH-JVVTXYFXSA-N 0 0 420.385 5.069 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccc(Cl)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004577765 557569648 /nfs/dbraw/zinc/56/96/48/557569648.db2.gz CONJKDXRSZVLRB-ODHVPASWSA-N 0 0 424.804 5.714 50 30 HKEARN CCCOc1ccc(/C(CCCC/C(=N/O)c2ccc(OCCC)cc2)=N/O)cc1 ZINC000004577879 557569629 /nfs/dbraw/zinc/56/96/29/557569629.db2.gz VTONGVXQWPLKTA-MJPLYFDISA-N 0 0 412.530 5.881 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000004578419 568963729 /nfs/dbraw/zinc/96/37/29/568963729.db2.gz IAIJRYLRMSHNKN-LDADJPATSA-N 0 0 401.940 5.306 50 30 HKEARN Clc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004579302 558761880 /nfs/dbraw/zinc/76/18/80/558761880.db2.gz SHNPPTOXEYYDBE-IWIPYMOSSA-N 0 0 415.888 5.458 50 30 HKEARN N#CC(CCC(C#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004582796 571044929 /nfs/dbraw/zinc/04/49/29/571044929.db2.gz NSANGDFWEISFLU-UHFFFAOYSA-N 0 0 412.536 6.786 50 30 HKEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004583003 557569828 /nfs/dbraw/zinc/56/98/28/557569828.db2.gz TVQIFXCUIJRTMA-RNIAWFEPSA-N 0 0 402.410 5.621 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4c(c3)OCO4)nc(-c3ccccc3)c2c1 ZINC000004587048 557570001 /nfs/dbraw/zinc/57/00/01/557570001.db2.gz DQJAJWGJRWBVNS-WYMPLXKRSA-N 0 0 402.841 5.125 50 30 HKEARN C/C(=N/Nc1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2oc1=O ZINC000004587138 558784866 /nfs/dbraw/zinc/78/48/66/558784866.db2.gz GSHURESVBUGUSN-NKVSQWTQSA-N 0 0 409.642 5.184 50 30 HKEARN Cn1nc(C(F)(F)F)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1Cl ZINC000004587370 558785476 /nfs/dbraw/zinc/78/54/76/558785476.db2.gz AUWWQOIHZVXJBJ-KKMKTNMSSA-N 0 0 421.894 6.311 50 30 HKEARN COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1OC ZINC000004587379 558785482 /nfs/dbraw/zinc/78/54/82/558785482.db2.gz PBJKAQJTKDWYMT-JVWAILMASA-N 0 0 405.538 5.931 50 30 HKEARN COc1ccc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2C)c(OC)c1OC ZINC000004587381 558785853 /nfs/dbraw/zinc/78/58/53/558785853.db2.gz XTPJHJVZYBKZNT-LQKURTRISA-N 0 0 419.565 6.239 50 30 HKEARN Brc1csc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000004587395 558785909 /nfs/dbraw/zinc/78/59/09/558785909.db2.gz VDDKPPDLMPOCRY-FSJBWODESA-N 0 0 400.385 6.729 50 30 HKEARN Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1cc(Br)cs1 ZINC000004587398 558786000 /nfs/dbraw/zinc/78/60/00/558786000.db2.gz POUQIFOUBPQJKR-WYMPLXKRSA-N 0 0 414.412 7.037 50 30 HKEARN Oc1c(C=[NH+][N-]c2c(Cl)cc(Cl)cc2Cl)cc2c3c1CCCN3CCC2 ZINC000004587455 558786013 /nfs/dbraw/zinc/78/60/13/558786013.db2.gz XMSPLKOZEILZPL-AUEPDCJTSA-N 0 0 410.732 5.497 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1c(O)ccc2ccccc21 ZINC000004587828 560607834 /nfs/dbraw/zinc/60/78/34/560607834.db2.gz KNSIKFZDHZYWCT-YJOAOAJUSA-N 0 0 422.528 6.253 50 30 HKEARN C=CCOc1ccc2c(c1)C(=NNc1cccc(Cl)c1)c1cc(OCC=C)ccc1-2 ZINC000004588013 558786608 /nfs/dbraw/zinc/78/66/08/558786608.db2.gz BLMQXJXLBHJIDQ-UHFFFAOYSA-N 0 0 416.908 6.315 50 30 HKEARN C=CCOc1ccc2c(c1)C(=NNc1cccc(C)c1C)c1cc(OCC=C)ccc1-2 ZINC000004588019 558786648 /nfs/dbraw/zinc/78/66/48/558786648.db2.gz VBVMIWXKULYQCK-UHFFFAOYSA-N 0 0 410.517 6.278 50 30 HKEARN C=CCOc1ccc2c(c1)C(=NNc1cccc(F)c1)c1cc(OCC=C)ccc1-2 ZINC000004588021 558786950 /nfs/dbraw/zinc/78/69/50/558786950.db2.gz WDCAOVFGUHVRTL-UHFFFAOYSA-N 0 0 400.453 5.800 50 30 HKEARN Cc1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004590703 569255584 /nfs/dbraw/zinc/25/55/84/569255584.db2.gz OJVZQAHAMTXSEK-KOEQRZSOSA-N 0 0 419.481 5.506 50 30 HKEARN COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C(C)C ZINC000004591121 569255509 /nfs/dbraw/zinc/25/55/09/569255509.db2.gz MVGXPGUBTUFPGI-BTRCZGFISA-N 0 0 408.567 6.139 50 30 HKEARN Cc1csc(N=NCc2ccc(OCc3ccc(Br)cc3)cc2)n1 ZINC000004592584 558830555 /nfs/dbraw/zinc/83/05/55/558830555.db2.gz BYFKICLKUYUDQB-KEBDBYFISA-N 0 0 402.317 5.239 50 30 HKEARN N#Cc1cc(Oc2ccc(-c3ccccc3)cc2)c(-n2nnc3ccccc32)cc1C#N ZINC000004593150 558829021 /nfs/dbraw/zinc/82/90/21/558829021.db2.gz ORSJEBJLTBGDDM-UHFFFAOYSA-N 0 0 413.440 5.623 50 30 HKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004593472 558831699 /nfs/dbraw/zinc/83/16/99/558831699.db2.gz HBUVNOADDUOJFD-ZEQRLZLVSA-N 0 0 412.449 5.019 50 30 HKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004593473 558831728 /nfs/dbraw/zinc/83/17/28/558831728.db2.gz HBUVNOADDUOJFD-RPWUZVMVSA-N 0 0 412.449 5.019 50 30 HKEARN O=C(/C=C/c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000004595193 557570777 /nfs/dbraw/zinc/57/07/77/557570777.db2.gz QFLBUJXYLQQSGF-DYTRJAOYSA-N 0 0 417.508 6.353 50 30 in-vitro HKEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000004595217 558832443 /nfs/dbraw/zinc/83/24/43/558832443.db2.gz IXZWEOLBIADXFI-PCLIKHOPSA-N 0 0 409.942 5.630 50 30 HKEARN COc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1OC ZINC000004595239 558832447 /nfs/dbraw/zinc/83/24/47/558832447.db2.gz GCEFTJLVZYSYAH-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000004597168 557570813 /nfs/dbraw/zinc/57/08/13/557570813.db2.gz TXKOIGQHKYLULN-GKVSMKOHSA-N 0 0 415.562 5.794 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000004597169 557570810 /nfs/dbraw/zinc/57/08/10/557570810.db2.gz TXKOIGQHKYLULN-NSYGIPOTSA-N 0 0 415.562 5.794 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000004597170 557570798 /nfs/dbraw/zinc/57/07/98/557570798.db2.gz TXKOIGQHKYLULN-SSOJOUAXSA-N 0 0 415.562 5.794 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000004597171 557570785 /nfs/dbraw/zinc/57/07/85/557570785.db2.gz TXKOIGQHKYLULN-CRICUBBOSA-N 0 0 415.562 5.794 50 30 HKEARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004597179 557571000 /nfs/dbraw/zinc/57/10/00/557571000.db2.gz HYRJFSAFERHAQY-DEOSSOPVSA-N 0 0 406.526 5.543 50 30 HKEARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004597180 557570988 /nfs/dbraw/zinc/57/09/88/557570988.db2.gz HYRJFSAFERHAQY-XMMPIXPASA-N 0 0 406.526 5.543 50 30 HKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000004597186 558833864 /nfs/dbraw/zinc/83/38/64/558833864.db2.gz VRGKBONPABENNP-QHCPKHFHSA-N 0 0 422.525 5.248 50 30 HKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000004597187 558833855 /nfs/dbraw/zinc/83/38/55/558833855.db2.gz VRGKBONPABENNP-HSZRJFAPSA-N 0 0 422.525 5.248 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1 ZINC000004597568 557571028 /nfs/dbraw/zinc/57/10/28/557571028.db2.gz JCZNAMASPXULEL-VKGTZQKMSA-N 0 0 419.528 6.456 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1 ZINC000004597569 557571026 /nfs/dbraw/zinc/57/10/26/557571026.db2.gz JCZNAMASPXULEL-GDJIYFAZSA-N 0 0 419.528 6.456 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc32)cc1 ZINC000004597570 557570945 /nfs/dbraw/zinc/57/09/45/557570945.db2.gz JCZNAMASPXULEL-HMILPKGGSA-N 0 0 419.528 6.456 50 30 HKEARN 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CC(C)(C)c1csc(N=NCc2c(OCc3ccccc3)ccc3ccccc32)n1 ZINC000004671692 557579690 /nfs/dbraw/zinc/57/96/90/557579690.db2.gz NTZWKJWQTVHOHT-CVKSISIWSA-N 0 0 415.562 6.619 50 30 HKEARN N#Cc1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCC2 ZINC000004672284 558886218 /nfs/dbraw/zinc/88/62/18/558886218.db2.gz PRJBSHLTPANZAV-UHFFFAOYSA-N 0 0 411.324 5.667 50 30 HKEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc(F)cc1 ZINC000004672417 558886165 /nfs/dbraw/zinc/88/61/65/558886165.db2.gz NPMSZIYXZZTPCV-YCRREMRBSA-N 0 0 420.524 6.212 50 30 HKEARN CCN(/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CC ZINC000004673164 558885089 /nfs/dbraw/zinc/88/50/89/558885089.db2.gz MDAUIMCTCKYTDD-WGOQTCKBSA-N 0 0 403.482 5.504 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000004673229 558885152 /nfs/dbraw/zinc/88/51/52/558885152.db2.gz XTLYEFXEHBLQFA-DDYNLCSXSA-N 0 0 414.936 7.861 50 30 HKEARN CCCCCC1CCC(C2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000004673293 558885048 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CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CC)C2=O)cc1OCC ZINC000004680459 558891394 /nfs/dbraw/zinc/89/13/94/558891394.db2.gz VSFXCUYXIKXZDH-RERTVAKNSA-N 0 0 410.539 5.498 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc(C)cc4)c3c2C1 ZINC000004680531 557580606 /nfs/dbraw/zinc/58/06/06/557580606.db2.gz ZLRKEESVQBLHOE-AXNZHVIBSA-N 0 0 406.599 6.377 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc(C)cc4)c3c2C1 ZINC000004680532 557580625 /nfs/dbraw/zinc/58/06/25/557580625.db2.gz ZLRKEESVQBLHOE-NLTKLDOMSA-N 0 0 406.599 6.377 50 30 HKEARN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000004682570 558894507 /nfs/dbraw/zinc/89/45/07/558894507.db2.gz FEIBIQBOSUZGFB-YDZHTSKRSA-N 0 0 407.882 5.615 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000004684650 558895129 /nfs/dbraw/zinc/89/51/29/558895129.db2.gz QYVILOFYXPNBAU-FQEVSTJZSA-N 0 0 412.320 6.001 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000004684651 558895122 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/nfs/dbraw/zinc/91/25/55/558912555.db2.gz RZAQRDNNVKEURX-BUVRLJJBSA-N 0 0 413.389 6.199 50 30 HKEARN COc1ccccc1/C=N/N/C=C1\Sc2cc(C)ccc2N1Cc1ccccc1 ZINC000004705091 558912582 /nfs/dbraw/zinc/91/25/82/558912582.db2.gz UEBMRPDXEMZNHY-JHRSMVTRSA-N 0 0 401.535 5.539 50 30 HKEARN N#Cc1c(Cl)nc(N=NCc2ccc(Br)cc2)c(Cl)c1Cl ZINC000004705096 558912566 /nfs/dbraw/zinc/91/25/66/558912566.db2.gz UZPOPDRNJBNUPP-KPSZGOFPSA-N 0 0 404.482 5.122 50 30 HKEARN CC(N=Nc1ccc(C(F)(F)F)cn1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004705105 558912614 /nfs/dbraw/zinc/91/26/14/558912614.db2.gz PMWFWRORVGDCCT-UVHMKAGCSA-N 0 0 407.480 6.237 50 30 HKEARN Clc1cccc(Cl)c1/C=N/N=c1/sc2ccccc2n1Cc1ccccc1 ZINC000004705112 558912602 /nfs/dbraw/zinc/91/26/02/558912602.db2.gz BHYHLJHUOVFPFT-QWQJTBJWSA-N 0 0 412.345 5.993 50 30 HKEARN Clc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(Cl)cc4)cccc23)cc1 ZINC000004705276 558912763 /nfs/dbraw/zinc/91/27/63/558912763.db2.gz GYCGYJHQNHPCKD-DPCVLPDWSA-N 0 0 403.312 7.648 50 30 HKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(SC)cc2)C1=O ZINC000004706735 557585283 /nfs/dbraw/zinc/58/52/83/557585283.db2.gz JSXKDSAXLFJUAU-AQTBWJFISA-N 0 0 411.548 5.261 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000004708160 557585527 /nfs/dbraw/zinc/58/55/27/557585527.db2.gz PIPXLYNIHRNOEQ-NSYGIPOTSA-N 0 0 417.961 7.000 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000004708162 557585520 /nfs/dbraw/zinc/58/55/20/557585520.db2.gz PIPXLYNIHRNOEQ-GKVSMKOHSA-N 0 0 417.961 7.000 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000004708164 557585495 /nfs/dbraw/zinc/58/54/95/557585495.db2.gz PIPXLYNIHRNOEQ-CRICUBBOSA-N 0 0 417.961 7.000 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000004708165 557585539 /nfs/dbraw/zinc/58/55/39/557585539.db2.gz PIPXLYNIHRNOEQ-SSOJOUAXSA-N 0 0 417.961 7.000 50 30 HKEARN Cc1[nH]c(C#N)c(C)c1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004708449 558913851 /nfs/dbraw/zinc/91/38/51/558913851.db2.gz GPABDPQMTMSXPK-AREMUKBSSA-N 0 0 405.501 5.936 50 30 HKEARN Cc1[nH]c(C#N)c(C)c1[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004708451 558913891 /nfs/dbraw/zinc/91/38/91/558913891.db2.gz GPABDPQMTMSXPK-SANMLTNESA-N 0 0 405.501 5.936 50 30 HKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCC/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000004709558 557585725 /nfs/dbraw/zinc/58/57/25/557585725.db2.gz HQWXBYVYIALXBO-UNZYHPAISA-N 0 0 410.357 6.944 50 30 HKEARN C[C@@H]1CC(=NNc2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2S1(=O)=O ZINC000004709693 557585660 /nfs/dbraw/zinc/58/56/60/557585660.db2.gz JKZUUJXTVGAFAO-ZMFXLXOGSA-N 0 0 403.718 5.029 50 30 HKEARN C[C@H]1CC(=NNc2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2S1(=O)=O ZINC000004709696 557585704 /nfs/dbraw/zinc/58/57/04/557585704.db2.gz JKZUUJXTVGAFAO-LYAFNNHQSA-N 0 0 403.718 5.029 50 30 HKEARN C=CCN(c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)c1ccc(OCC)cc1 ZINC000004709953 558914533 /nfs/dbraw/zinc/91/45/33/558914533.db2.gz IWTRCAMOCUSCMG-HMMYKYKNSA-N 0 0 410.564 5.240 50 30 HKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CCC2 ZINC000004711440 558916820 /nfs/dbraw/zinc/91/68/20/558916820.db2.gz IXWMZPJZHUCBRM-MFKUBSTISA-N 0 0 419.550 5.314 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2Sc2ccccc2C1=O ZINC000004712695 568936897 /nfs/dbraw/zinc/93/68/97/568936897.db2.gz GXWQLRVXUJNMQV-MBOZVWFJSA-N 0 0 420.578 5.539 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2Sc2ccccc2C1=O ZINC000004712696 558917754 /nfs/dbraw/zinc/91/77/54/558917754.db2.gz GXWQLRVXUJNMQV-SQGPQFPESA-N 0 0 420.578 5.539 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000004713009 557585916 /nfs/dbraw/zinc/58/59/16/557585916.db2.gz QYIMABHCVGWZOK-OXMAONQKSA-N 0 0 402.546 5.621 50 30 biogenic HKEARN Cc1ccc2[nH]c3nc(N=NC[C@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000004713010 557585859 /nfs/dbraw/zinc/58/58/59/557585859.db2.gz QYIMABHCVGWZOK-KBQGXEDXSA-N 0 0 402.546 5.621 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000004713011 557585933 /nfs/dbraw/zinc/58/59/33/557585933.db2.gz QYIMABHCVGWZOK-VYQPASDNSA-N 0 0 402.546 5.621 50 30 HKEARN CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 ZINC000004713255 558780626 /nfs/dbraw/zinc/78/06/26/558780626.db2.gz ILAAJMWXHYLNQV-ZHZULCJRSA-N 0 0 419.502 5.524 50 30 HKEARN CC(C)(C)c1ccc(O)c(N=CC2=CC(=[NH+][N-]c3cccc(Cl)c3)C=CC2=O)c1 ZINC000004713979 558918243 /nfs/dbraw/zinc/91/82/43/558918243.db2.gz YVVSOYHUIREDHJ-VEVCQMGESA-N 0 0 407.901 7.215 50 30 HKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000004714224 557585926 /nfs/dbraw/zinc/58/59/26/557585926.db2.gz FVPADKPETCADKG-BUVRLJJBSA-N 0 0 415.888 5.458 50 30 HKEARN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000004714314 558918160 /nfs/dbraw/zinc/91/81/60/558918160.db2.gz AOZBJQUQRBEHHF-SZKCCIEUSA-N 0 0 421.591 5.935 50 30 HKEARN CCCCc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000004714417 558918291 /nfs/dbraw/zinc/91/82/91/558918291.db2.gz BHSJCWNETAGALB-OAQYLSRUSA-N 0 0 401.572 5.258 50 30 HKEARN CN(C)c1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004714552 557586075 /nfs/dbraw/zinc/58/60/75/557586075.db2.gz UPTJJXBKFWPKBT-RGVLZGJSSA-N 0 0 401.333 5.085 50 30 HKEARN CSC1=N/C(=N\c2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccccc1 ZINC000004718287 558915986 /nfs/dbraw/zinc/91/59/86/558915986.db2.gz ZAVOYOVPRRKDFH-VYIQYICTSA-N 0 0 419.638 7.239 50 30 HKEARN Clc1ccc2nc(N=NCc3cccc4nccnc34)nc(-c3ccccc3)c2c1 ZINC000004718777 557586294 /nfs/dbraw/zinc/58/62/94/557586294.db2.gz DFRSUNDXGTWJQB-MZJWZYIUSA-N 0 0 410.868 5.339 50 30 HKEARN O=C(/C=C/c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 ZINC000004718949 557586318 /nfs/dbraw/zinc/58/63/18/557586318.db2.gz HHYQNODKBYJWIP-DHZHZOJOSA-N 0 0 409.533 5.631 50 30 HKEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C/c1ccc(-c2ccccc2)o1 ZINC000004719573 558919014 /nfs/dbraw/zinc/91/90/14/558919014.db2.gz LMJBAFBJSQSOCM-KGPJOIRKSA-N 0 0 415.518 5.009 50 30 HKEARN N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000004723511 557586697 /nfs/dbraw/zinc/58/66/97/557586697.db2.gz OVPSTOSTDJDZED-UHFFFAOYSA-N 0 0 401.853 5.033 50 30 aggregator HKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cccs1)C[C@H](C)CC2 ZINC000004723887 558922773 /nfs/dbraw/zinc/92/27/73/558922773.db2.gz PHWDDHNIVVRGIB-JMKVTYIUSA-N 0 0 410.564 5.946 50 30 HKEARN COc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cccs1)C[C@@H](C)CC2 ZINC000004723888 558922765 /nfs/dbraw/zinc/92/27/65/558922765.db2.gz PHWDDHNIVVRGIB-WQEJZQBCSA-N 0 0 410.564 5.946 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccs2)C[C@H](C)CC3)cc1 ZINC000004723889 558922711 /nfs/dbraw/zinc/92/27/11/558922711.db2.gz OGGUGKQEWSYMHP-JMKVTYIUSA-N 0 0 410.564 5.946 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccs2)C[C@@H](C)CC3)cc1 ZINC000004723890 558922803 /nfs/dbraw/zinc/92/28/03/558922803.db2.gz OGGUGKQEWSYMHP-WQEJZQBCSA-N 0 0 410.564 5.946 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCC3)cc1 ZINC000004723892 558922759 /nfs/dbraw/zinc/92/27/59/558922759.db2.gz MYKBBWNGLPSPJS-ZVHZXABRSA-N 0 0 406.507 5.257 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)cc1 ZINC000004723893 558922784 /nfs/dbraw/zinc/92/27/84/558922784.db2.gz DUNPDBLZTABFIU-MFKUBSTISA-N 0 0 420.534 5.647 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000004724415 557587045 /nfs/dbraw/zinc/58/70/45/557587045.db2.gz BPAQCLKTIICBHJ-QXMHVHEDSA-N 0 0 401.447 5.405 50 30 HKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000004724589 557587014 /nfs/dbraw/zinc/58/70/14/557587014.db2.gz FYSDRTSQVDPCRN-WJDWOHSUSA-N 0 0 414.892 6.097 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000004724826 557587062 /nfs/dbraw/zinc/58/70/62/557587062.db2.gz IDEHXWIGBOCAGV-GDNBJRDFSA-N 0 0 402.856 6.228 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004724891 569365801 /nfs/dbraw/zinc/36/58/01/569365801.db2.gz HCGSAZYJFUPVHN-GDNBJRDFSA-N 0 0 402.856 6.228 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2ccccc2c1 ZINC000004724930 557587109 /nfs/dbraw/zinc/58/71/09/557587109.db2.gz KOIPHFVNSVOSRF-DHZHZOJOSA-N 0 0 403.821 6.558 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000004725002 557587077 /nfs/dbraw/zinc/58/70/77/557587077.db2.gz ZOHLJXOCURKRQT-QINSGFPZSA-N 0 0 408.432 6.321 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(Cl)cc2)cc1 ZINC000004725064 557587019 /nfs/dbraw/zinc/58/70/19/557587019.db2.gz MJWBUPYPLQVHDN-WJDWOHSUSA-N 0 0 414.892 6.097 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1OC ZINC000004725119 558926322 /nfs/dbraw/zinc/92/63/22/558926322.db2.gz HFIILNNMPAKGRC-BENRWUELSA-N 0 0 416.502 5.514 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccs1 ZINC000004725149 557586997 /nfs/dbraw/zinc/58/69/97/557586997.db2.gz METKKAYNPYLKFX-PFONDFGASA-N 0 0 406.510 6.650 50 30 HKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000004725163 557587108 /nfs/dbraw/zinc/58/71/08/557587108.db2.gz RMXSRFLAHUJHEC-ATVHPVEESA-N 0 0 410.473 5.453 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004725164 557587058 /nfs/dbraw/zinc/58/70/58/557587058.db2.gz CFICBWBLLFTEPM-KAMYIIQDSA-N 0 0 413.408 5.483 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC ZINC000004725271 557587227 /nfs/dbraw/zinc/58/72/27/557587227.db2.gz DPACTRSFIXNUGW-VMPITWQZSA-N 0 0 413.813 5.422 50 30 HKEARN Oc1ccc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004725688 558930524 /nfs/dbraw/zinc/93/05/24/558930524.db2.gz KZJASSYBCCMNCT-MYYYXRDXSA-N 0 0 400.869 5.616 50 30 HKEARN CCOC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CC(C)(C)C/C3=N\O)ccc1O ZINC000004728689 558985607 /nfs/dbraw/zinc/98/56/07/558985607.db2.gz AERHYXPCJFPYBL-LHLOQNFPSA-N 0 0 418.493 5.177 50 30 HKEARN O=C(C[C@H](CC(=NNc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004729105 558985547 /nfs/dbraw/zinc/98/55/47/558985547.db2.gz ZTUCKENGEWCXHS-AQDNNVBGSA-N 0 0 418.540 6.950 50 30 HKEARN O=C(C[C@@H](CC(=NNc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004729106 558985618 /nfs/dbraw/zinc/98/56/18/558985618.db2.gz ZTUCKENGEWCXHS-KBAUQXGESA-N 0 0 418.540 6.950 50 30 HKEARN C=C(C)[C@@H]1CC=C(C)[C@@H](COc2ccc3ccc(=O)oc3c2)[C@]1(C)CCC(=O)OC ZINC000004731194 559032035 /nfs/dbraw/zinc/03/20/35/559032035.db2.gz OAUDKNYNNMXLHJ-BPYKYCOYSA-N 0 0 410.510 5.290 50 30 biogenic HKEARN C=C(C)[C@@H]1CC=C(C)[C@@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)OC ZINC000004731196 559032040 /nfs/dbraw/zinc/03/20/40/559032040.db2.gz OAUDKNYNNMXLHJ-BKSPAHHJSA-N 0 0 410.510 5.290 50 30 biogenic HKEARN Cc1ccc(C)c(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2cc(C)ccc2C)c1 ZINC000004733031 557588604 /nfs/dbraw/zinc/58/86/04/557588604.db2.gz ANHILEAZYPYDJM-JFLMPSFJSA-N 0 0 410.521 5.731 50 30 HKEARN CCn1c2ccccc2c2nnc(N=NC(C)c3ccc(-c4ccccc4)cc3)nc21 ZINC000004733415 559033525 /nfs/dbraw/zinc/03/35/25/559033525.db2.gz YOZXJAZLKILOOI-PKAZHMFMSA-N 0 0 406.493 5.503 50 30 HKEARN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccc(F)cc2)C1(C#N)C#N ZINC000004733693 559033631 /nfs/dbraw/zinc/03/36/31/559033631.db2.gz OQDJRLNLVPDQLH-ZLNRFVROSA-N 0 0 413.496 5.151 50 30 HKEARN CCN1c2ccccc2C(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc21 ZINC000004733876 559033750 /nfs/dbraw/zinc/03/37/50/559033750.db2.gz XAVKKTKDOSPZNT-NDZAJKAJSA-N 0 0 422.959 7.742 50 30 HKEARN COc1ccc(-n2c(C)ns/c2=N\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000004734376 559033818 /nfs/dbraw/zinc/03/38/18/559033818.db2.gz WMEGIPBQFLUAQC-YPAXQUSRSA-N 0 0 414.534 5.238 50 30 HKEARN Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Cl ZINC000004737351 559036615 /nfs/dbraw/zinc/03/66/15/559036615.db2.gz RBMYWKOVPJGNCG-KEBDBYFISA-N 0 0 400.778 5.171 50 30 HKEARN CC(C)CCOc1ccc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000004737492 559041202 /nfs/dbraw/zinc/04/12/02/559041202.db2.gz IPEIMHXOILVXAA-RDRPBHBLSA-N 0 0 417.593 7.036 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004737563 559041240 /nfs/dbraw/zinc/04/12/40/559041240.db2.gz GZHBNBLEZFDNRE-CVKSISIWSA-N 0 0 424.382 6.664 50 30 HKEARN CC(N=Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1ccccc1 ZINC000004737638 559041268 /nfs/dbraw/zinc/04/12/68/559041268.db2.gz XUULIAUASHLAIN-PKAZHMFMSA-N 0 0 412.518 5.899 50 30 HKEARN CCCCCCc1cc2cc(C(=O)/C=C/c3ccc(OC)cc3)c(=O)oc2cc1O ZINC000004738016 559041248 /nfs/dbraw/zinc/04/12/48/559041248.db2.gz NXNYFNKBIJYMIV-JLHYYAGUSA-N 0 0 406.478 5.526 50 30 biogenic HKEARN CCc1ccc(C(=CCc2ccccc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004738047 559041283 /nfs/dbraw/zinc/04/12/83/559041283.db2.gz FBDPLGUAXJHTLJ-TWQKYRBXSA-N 0 0 416.437 5.595 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004738048 559041262 /nfs/dbraw/zinc/04/12/62/559041262.db2.gz RDPSSTMFRFJDMT-RBVKJLALSA-N 0 0 406.373 5.172 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)cc1 ZINC000004738062 559041417 /nfs/dbraw/zinc/04/14/17/559041417.db2.gz INCTYGUVFSKDRE-VUTHCHCSSA-N 0 0 400.610 7.060 50 30 HKEARN c1ccc(Nc2nc(N=NCc3ccc4ccccc4c3)nc(N3CCCCC3)n2)cc1 ZINC000004738514 557589399 /nfs/dbraw/zinc/58/93/99/557589399.db2.gz QSXYOIPBHGLPBX-NLRVBDNBSA-N 0 0 423.524 5.205 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000004738822 557590248 /nfs/dbraw/zinc/59/02/48/557590248.db2.gz HNYFDRKAONZCQF-KMRXNPHXSA-N 0 0 422.528 5.997 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000004738823 557590184 /nfs/dbraw/zinc/59/01/84/557590184.db2.gz HNYFDRKAONZCQF-PIKZIKFNSA-N 0 0 422.528 5.997 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000004738824 557590244 /nfs/dbraw/zinc/59/02/44/557590244.db2.gz HNYFDRKAONZCQF-RBTNQOKQSA-N 0 0 422.528 5.997 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000004738825 557590260 /nfs/dbraw/zinc/59/02/60/557590260.db2.gz HNYFDRKAONZCQF-LYZGTLIUSA-N 0 0 422.528 5.997 50 30 HKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])c(C)c3)c2C)cc1 ZINC000004738832 557590199 /nfs/dbraw/zinc/59/01/99/557590199.db2.gz GTHGFWWPHGTAJP-ZVHZXABRSA-N 0 0 405.454 5.238 50 30 HKEARN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc(C)c1 ZINC000004738840 557590286 /nfs/dbraw/zinc/59/02/86/557590286.db2.gz JJDQFQXFEWUGST-ZCTHSVRISA-N 0 0 422.616 7.621 50 30 HKEARN O=C1CCCC2=C1C(c1cccc(OCc3cccc(F)c3)c1)C1=C(CCCC1=O)O2 ZINC000004739231 557590217 /nfs/dbraw/zinc/59/02/17/557590217.db2.gz YETJCGOGJSRUPD-UHFFFAOYSA-N 0 0 418.464 5.533 50 30 HKEARN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000004739371 557590171 /nfs/dbraw/zinc/59/01/71/557590171.db2.gz GMRNHMVUEPVTES-MFKUBSTISA-N 0 0 409.371 6.905 50 30 HKEARN C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000004739945 559043243 /nfs/dbraw/zinc/04/32/43/559043243.db2.gz WGDPXMGIRGMKDQ-NDEPHWFRSA-N 0 0 414.508 6.719 50 30 HKEARN C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc2ccccc2c1 ZINC000004739946 559043209 /nfs/dbraw/zinc/04/32/09/559043209.db2.gz WGDPXMGIRGMKDQ-MUUNZHRXSA-N 0 0 414.508 6.719 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(Nc1nc3ccccc3s1)N2 ZINC000004740164 557590475 /nfs/dbraw/zinc/59/04/75/557590475.db2.gz VIVQOCKVKJWGDW-LJQANCHMSA-N 0 0 408.914 5.069 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccccc1Cl)N=C(Nc1nc3ccccc3s1)N2 ZINC000004740165 557590491 /nfs/dbraw/zinc/59/04/91/557590491.db2.gz VIVQOCKVKJWGDW-IBGZPJMESA-N 0 0 408.914 5.069 50 30 HKEARN CCOC(=O)c1ccc(/N=C2\c3cc(CC)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000004740223 559043295 /nfs/dbraw/zinc/04/32/95/559043295.db2.gz UEGNPTLRKXDNNR-YYADALCUSA-N 0 0 402.494 5.089 50 30 HKEARN CCOC(=O)c1ccc(/N=C2\c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000004740268 559043316 /nfs/dbraw/zinc/04/33/16/559043316.db2.gz PMXNLDSYQRCAGY-XRRNWMHTSA-N 0 0 404.510 5.179 50 30 HKEARN CCOC(=O)c1ccc(/N=C2\c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000004740269 559043328 /nfs/dbraw/zinc/04/33/28/559043328.db2.gz PMXNLDSYQRCAGY-UWKWSCNSSA-N 0 0 404.510 5.179 50 30 HKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000004740321 559043269 /nfs/dbraw/zinc/04/32/69/559043269.db2.gz TZBROLLRLOZKCG-FMAGWPLPSA-N 0 0 400.444 6.021 50 30 HKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000004740322 559043326 /nfs/dbraw/zinc/04/33/26/559043326.db2.gz TZBROLLRLOZKCG-CXYGBTOJSA-N 0 0 400.444 6.021 50 30 HKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000004740323 559043289 /nfs/dbraw/zinc/04/32/89/559043289.db2.gz HXWFJLDEDOGQHX-YLLWSWKHSA-N 0 0 401.337 6.309 50 30 HKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000004740324 559043263 /nfs/dbraw/zinc/04/32/63/559043263.db2.gz HXWFJLDEDOGQHX-CNFVUWAHSA-N 0 0 401.337 6.309 50 30 HKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 ZINC000004740329 559043267 /nfs/dbraw/zinc/04/32/67/559043267.db2.gz VROFIPDBTRJPLS-YLLWSWKHSA-N 0 0 401.337 6.309 50 30 HKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 ZINC000004740330 559043293 /nfs/dbraw/zinc/04/32/93/559043293.db2.gz VROFIPDBTRJPLS-CNFVUWAHSA-N 0 0 401.337 6.309 50 30 HKEARN CCCCc1ccc(/N=C2\c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000004740339 559043275 /nfs/dbraw/zinc/04/32/75/559043275.db2.gz RPIMGSNRIBNPKN-UOIURVPMSA-N 0 0 404.554 6.181 50 30 HKEARN CCCCc1ccc(/N=C2\c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000004740340 559043305 /nfs/dbraw/zinc/04/33/05/559043305.db2.gz RPIMGSNRIBNPKN-BXHNKXCFSA-N 0 0 404.554 6.181 50 30 HKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000004740373 559043303 /nfs/dbraw/zinc/04/33/03/559043303.db2.gz NSTPWNKRFTUNNG-FMAGWPLPSA-N 0 0 416.443 5.857 50 30 HKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000004740374 559043317 /nfs/dbraw/zinc/04/33/17/559043317.db2.gz NSTPWNKRFTUNNG-CXYGBTOJSA-N 0 0 416.443 5.857 50 30 HKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000004740377 559043320 /nfs/dbraw/zinc/04/33/20/559043320.db2.gz NLIFPNPCCRCMKI-YLLWSWKHSA-N 0 0 417.336 6.145 50 30 HKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000004740378 559043297 /nfs/dbraw/zinc/04/32/97/559043297.db2.gz NLIFPNPCCRCMKI-CNFVUWAHSA-N 0 0 417.336 6.145 50 30 HKEARN Cc1[nH]nc(NC=C2C(=O)CC(c3ccc(C)cc3)CC2=O)c1-c1ccc(Cl)cc1 ZINC000004741618 559044531 /nfs/dbraw/zinc/04/45/31/559044531.db2.gz HESOMWFCDLVTBB-UHFFFAOYSA-N 0 0 419.912 5.359 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000004741744 559044595 /nfs/dbraw/zinc/04/45/95/559044595.db2.gz QVNQXQFEMCMCDU-WPWMEQJKSA-N 0 0 416.956 6.335 50 30 HKEARN COc1cc(C)c(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000004746648 559045305 /nfs/dbraw/zinc/04/53/05/559045305.db2.gz PCZIUHKUWWIFEY-YDZHTSKRSA-N 0 0 401.919 5.625 50 30 HKEARN CC(C)(C)c1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O ZINC000004746679 559045301 /nfs/dbraw/zinc/04/53/01/559045301.db2.gz IXASUCLJJRNPFC-VUTHCHCSSA-N 0 0 414.593 7.028 50 30 HKEARN CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004746788 559045331 /nfs/dbraw/zinc/04/53/31/559045331.db2.gz XOQAMAYJTPUZPJ-DHZHZOJOSA-N 0 0 401.289 6.937 50 30 HKEARN C=CCOc1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000004747030 559045427 /nfs/dbraw/zinc/04/54/27/559045427.db2.gz GBHQYDYILDYVFR-OQKWZONESA-N 0 0 411.457 5.825 50 30 HKEARN Cc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004747091 557592125 /nfs/dbraw/zinc/59/21/25/557592125.db2.gz ORNKJDXOZSVFIL-HFJWLAOPSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004747093 557592095 /nfs/dbraw/zinc/59/20/95/557592095.db2.gz ORNKJDXOZSVFIL-QYBDOPJKSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004747096 557592102 /nfs/dbraw/zinc/59/21/02/557592102.db2.gz ORNKJDXOZSVFIL-WXTAPIANSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004747097 557592142 /nfs/dbraw/zinc/59/21/42/557592142.db2.gz ORNKJDXOZSVFIL-DWXRJYCRSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000004747107 557592071 /nfs/dbraw/zinc/59/20/71/557592071.db2.gz ZMLXIXDRYDDRAR-AFMDSPMNSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000004747110 557592084 /nfs/dbraw/zinc/59/20/84/557592084.db2.gz ZMLXIXDRYDDRAR-SIBVEZHUSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004747112 557592134 /nfs/dbraw/zinc/59/21/34/557592134.db2.gz ZMLXIXDRYDDRAR-NIYFSFCBSA-N 0 0 415.533 6.794 50 30 HKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004747114 557592049 /nfs/dbraw/zinc/59/20/49/557592049.db2.gz ZMLXIXDRYDDRAR-BCHFMIIMSA-N 0 0 415.533 6.794 50 30 HKEARN N#Cc1c(SCCC(=O)N2CCCCC2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000004748450 559045275 /nfs/dbraw/zinc/04/52/75/559045275.db2.gz DDLQFDUEAOZVNN-UHFFFAOYSA-N 0 0 419.472 5.134 50 30 HKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000004748549 557592317 /nfs/dbraw/zinc/59/23/17/557592317.db2.gz OKOJUWDCLMZHNF-WPWMEQJKSA-N 0 0 409.449 5.555 50 30 HKEARN Cc1csc(N=NCc2cccc(OCc3ccc(Br)cc3)c2)n1 ZINC000004749645 559047459 /nfs/dbraw/zinc/04/74/59/559047459.db2.gz GFKLXEANMVGZHF-KEBDBYFISA-N 0 0 402.317 5.239 50 30 HKEARN Brc1ccccc1NN=Cc1nc2ccccc2n1Cc1ccccc1 ZINC000004750481 559048914 /nfs/dbraw/zinc/04/89/14/559048914.db2.gz BZFBDIWKEPQTAQ-OEAKJJBVSA-N 0 0 405.299 5.293 50 30 HKEARN CN(C)c1ccc(/C=N/c2cc(C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc2O)cc1 ZINC000004750631 559048937 /nfs/dbraw/zinc/04/89/37/559048937.db2.gz MUSUBQITTQJYOH-VFLNYLIXSA-N 0 0 416.609 6.847 50 30 HKEARN CC(=NNc1cc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000004750633 559048962 /nfs/dbraw/zinc/04/89/62/559048962.db2.gz NRLFGOLUYNDMDD-YSMPRRRNSA-N 0 0 416.868 6.300 50 30 HKEARN C=CCc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1O ZINC000004750719 568934997 /nfs/dbraw/zinc/93/49/97/568934997.db2.gz CFRGQKPPSLNMTE-SRZZPIQSSA-N 0 0 414.328 5.453 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 ZINC000004750787 559048932 /nfs/dbraw/zinc/04/89/32/559048932.db2.gz IOEQZTBSFHQGLI-DHRITJCHSA-N 0 0 401.853 5.730 50 30 HKEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004750937 559048952 /nfs/dbraw/zinc/04/89/52/559048952.db2.gz NMSRPIBTBDJFSE-MERZFDJJSA-N 0 0 401.378 5.150 50 30 HKEARN CC(C)(C)c1ccc(O)c(N=CC2=CC(=[NH+][N-]c3ccc(Cl)cc3)C=CC2=O)c1 ZINC000004750950 559048926 /nfs/dbraw/zinc/04/89/26/559048926.db2.gz RGZSSZLTYLHGJD-VEVCQMGESA-N 0 0 407.901 7.215 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(N3CCC(c4ccc(Cl)cc4)=N3)cc2)cc1 ZINC000004750954 559048942 /nfs/dbraw/zinc/04/89/42/559048942.db2.gz IXZNAYHDLGJTCV-SYZQJQIISA-N 0 0 416.908 5.859 50 30 HKEARN CC(C)CCOc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004753864 559050741 /nfs/dbraw/zinc/05/07/41/559050741.db2.gz DRDBYUFZTMNUGV-VUTHCHCSSA-N 0 0 401.594 7.330 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OCCC(C)C)cc4)cc3)sc2c1 ZINC000004753933 559050762 /nfs/dbraw/zinc/05/07/62/559050762.db2.gz HJCFSVYOAZKDDG-WPWMEQJKSA-N 0 0 414.574 7.447 50 30 HKEARN O=C1CCCC2=C1[C@H](c1c[nH]nc1-c1cccc(F)c1)c1c(ccc3ncccc31)N2 ZINC000004754644 569071391 /nfs/dbraw/zinc/07/13/91/569071391.db2.gz GJMMZOJATWPTCX-HSZRJFAPSA-N 0 0 410.452 5.329 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1c[nH]nc1-c1cccc(F)c1)c1c(ccc3ncccc31)N2 ZINC000004754650 569071388 /nfs/dbraw/zinc/07/13/88/569071388.db2.gz GJMMZOJATWPTCX-QHCPKHFHSA-N 0 0 410.452 5.329 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000004755121 568964281 /nfs/dbraw/zinc/96/42/81/568964281.db2.gz HTKSRNDXUAVFNH-OAQYLSRUSA-N 0 0 419.554 5.166 50 30 HKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)Nc1ccccc1-2 ZINC000004755122 568964168 /nfs/dbraw/zinc/96/41/68/568964168.db2.gz HTKSRNDXUAVFNH-NRFANRHFSA-N 0 0 419.554 5.166 50 30 HKEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000004755660 557593749 /nfs/dbraw/zinc/59/37/49/557593749.db2.gz FWQNXAJHYIGMBZ-GDNBJRDFSA-N 0 0 406.290 5.147 50 30 HKEARN CCCCCCc1cc2cc(/C(C)=N\Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O ZINC000004756427 559051317 /nfs/dbraw/zinc/05/13/17/559051317.db2.gz QISSZUNXYNUSEQ-IWIPYMOSSA-N 0 0 423.469 5.366 50 30 biogenic HKEARN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(Oc2ccccc2)cc1 ZINC000004756494 559051454 /nfs/dbraw/zinc/05/14/54/559051454.db2.gz VEJVLGAJFJAYIG-TWKHWXDSSA-N 0 0 407.557 7.697 50 30 HKEARN CSc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004757601 557594874 /nfs/dbraw/zinc/59/48/74/557594874.db2.gz WVDQCUVLXORSET-JOCHJYFZSA-N 0 0 407.535 5.380 50 30 HKEARN CSc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004757603 557594895 /nfs/dbraw/zinc/59/48/95/557594895.db2.gz WVDQCUVLXORSET-QFIPXVFZSA-N 0 0 407.535 5.380 50 30 HKEARN CCOc1c(O)cccc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CC(C)(C)C2 ZINC000004758308 569071474 /nfs/dbraw/zinc/07/14/74/569071474.db2.gz VXEFZNYNJKETFH-HSZRJFAPSA-N 0 0 414.505 5.540 50 30 HKEARN CCOc1c(O)cccc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CC(C)(C)C2 ZINC000004758320 569071471 /nfs/dbraw/zinc/07/14/71/569071471.db2.gz VXEFZNYNJKETFH-QHCPKHFHSA-N 0 0 414.505 5.540 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004759459 557595274 /nfs/dbraw/zinc/59/52/74/557595274.db2.gz CUTYVRNTLCNMCB-SSOJOUAXSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004759461 557595282 /nfs/dbraw/zinc/59/52/82/557595282.db2.gz CUTYVRNTLCNMCB-GKVSMKOHSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004759464 557595204 /nfs/dbraw/zinc/59/52/04/557595204.db2.gz CUTYVRNTLCNMCB-CRICUBBOSA-N 0 0 418.899 6.459 50 30 HKEARN 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ZINC000004794645 557598574 /nfs/dbraw/zinc/59/85/74/557598574.db2.gz MYJOTLQNNCVOFE-DEOSSOPVSA-N 0 0 419.565 6.202 50 30 HKEARN CCCOc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794649 557598584 /nfs/dbraw/zinc/59/85/84/557598584.db2.gz MBAKKNOMRCTNNX-XMMPIXPASA-N 0 0 421.537 5.693 50 30 HKEARN CCCOc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794650 557598578 /nfs/dbraw/zinc/59/85/78/557598578.db2.gz MBAKKNOMRCTNNX-DEOSSOPVSA-N 0 0 421.537 5.693 50 30 HKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794651 557598591 /nfs/dbraw/zinc/59/85/91/557598591.db2.gz SFJLXYFOUUCDGI-NRFANRHFSA-N 0 0 409.551 5.626 50 30 HKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794652 557598608 /nfs/dbraw/zinc/59/86/08/557598608.db2.gz SFJLXYFOUUCDGI-OAQYLSRUSA-N 0 0 409.551 5.626 50 30 HKEARN CCOc1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794666 557598615 /nfs/dbraw/zinc/59/86/15/557598615.db2.gz HUXYTTUKYPALGY-QFIPXVFZSA-N 0 0 407.510 5.303 50 30 HKEARN CCOc1ccc([C@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794667 557598625 /nfs/dbraw/zinc/59/86/25/557598625.db2.gz HUXYTTUKYPALGY-JOCHJYFZSA-N 0 0 407.510 5.303 50 30 HKEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)CCCCCC ZINC000004796965 559066172 /nfs/dbraw/zinc/06/61/72/559066172.db2.gz FXSCSFPXLOKSAP-UHFFFAOYSA-N 0 0 410.558 5.102 50 30 HKEARN Cc1ccc(/N=C2/S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1C ZINC000004797372 557598571 /nfs/dbraw/zinc/59/85/71/557598571.db2.gz UWMARKLOIBSEHP-PNFLQUQDSA-N 0 0 415.971 5.561 50 30 HKEARN COCc1cc(C)nc(N=NCc2cccc(OCc3ccccc3Cl)c2)c1C#N ZINC000004797927 559066690 /nfs/dbraw/zinc/06/66/90/559066690.db2.gz JNXLBOOMEPUUOT-LGJNPRDNSA-N 0 0 420.900 5.087 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccccc2OCc2ccccc2Cl)c1C#N ZINC000004797930 559066714 /nfs/dbraw/zinc/06/67/14/559066714.db2.gz WXBYJMJIENGQQM-LGJNPRDNSA-N 0 0 420.900 5.087 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 ZINC000004800619 571045237 /nfs/dbraw/zinc/04/52/37/571045237.db2.gz UQYYWEHUQBJUMO-STEQJIOHSA-N 0 0 404.531 5.388 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 ZINC000004800621 571045163 /nfs/dbraw/zinc/04/51/63/571045163.db2.gz UQYYWEHUQBJUMO-DDJHWDJXSA-N 0 0 404.531 5.388 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)cc1 ZINC000004800667 571045176 /nfs/dbraw/zinc/04/51/76/571045176.db2.gz VSBSTJNTMXDULH-SYJWGWKWSA-N 0 0 404.531 5.244 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)cc1 ZINC000004800669 571045213 /nfs/dbraw/zinc/04/52/13/571045213.db2.gz VSBSTJNTMXDULH-NPCAWENLSA-N 0 0 404.531 5.244 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)cc1 ZINC000004800670 569012586 /nfs/dbraw/zinc/01/25/86/569012586.db2.gz VSBSTJNTMXDULH-ZCSOFEKUSA-N 0 0 404.531 5.244 50 30 HKEARN Cc1ccc(S(=O)(=O)OC[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)cc1 ZINC000004800672 569012629 /nfs/dbraw/zinc/01/26/29/569012629.db2.gz VSBSTJNTMXDULH-GSXGRDDFSA-N 0 0 404.531 5.244 50 30 HKEARN CCCOc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004800803 559067528 /nfs/dbraw/zinc/06/75/28/559067528.db2.gz OIHNVHAGGTTWPX-XMMPIXPASA-N 0 0 419.521 5.447 50 30 HKEARN CCCOc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004800808 559067531 /nfs/dbraw/zinc/06/75/31/559067531.db2.gz OIHNVHAGGTTWPX-DEOSSOPVSA-N 0 0 419.521 5.447 50 30 HKEARN O=C(/C(=C/c1ccc(Br)cc1)c1nc2ccccc2o1)c1ccccc1 ZINC000004803163 557598949 /nfs/dbraw/zinc/59/89/49/557598949.db2.gz UYIQPTKVJOCHOT-JXAWBTAJSA-N 0 0 404.263 6.014 50 30 HKEARN O=[N+]([O-])c1cccc(C=NNc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000004803533 559067869 /nfs/dbraw/zinc/06/78/69/559067869.db2.gz KFWROBGRIGXXBK-YDZHTSKRSA-N 0 0 403.829 5.304 50 30 HKEARN CC[C@H](C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C#N)c1ccccc1 ZINC000004805252 559067532 /nfs/dbraw/zinc/06/75/32/559067532.db2.gz GCUTYZRFKHBJKT-KRWDZBQOSA-N 0 0 406.507 5.436 50 30 HKEARN CC[C@@H](C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C#N)c1ccccc1 ZINC000004805257 559067638 /nfs/dbraw/zinc/06/76/38/559067638.db2.gz GCUTYZRFKHBJKT-QGZVFWFLSA-N 0 0 406.507 5.436 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004805543 557599144 /nfs/dbraw/zinc/59/91/44/557599144.db2.gz AHLVDXKMGRWENF-VAWYXSNFSA-N 0 0 408.545 6.338 50 30 HKEARN COc1ccc(-c2csc(NC(=O)CSc3ccccc3)c2C#N)cc1OC ZINC000004805948 559067623 /nfs/dbraw/zinc/06/76/23/559067623.db2.gz AAFLWZYLHTWPBR-UHFFFAOYSA-N 0 0 410.520 5.035 50 30 HKEARN Oc1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004805982 559068056 /nfs/dbraw/zinc/06/80/56/559068056.db2.gz JSGPQOLDFZHJRX-MTDXEUNCSA-N 0 0 416.484 6.115 50 30 HKEARN COc1ccc(C=NNc2ccccc2C)cc1COc1ccc(Cl)cc1Cl ZINC000004807101 559068216 /nfs/dbraw/zinc/06/82/16/559068216.db2.gz CTKSJRVLSPPURG-DHRITJCHSA-N 0 0 415.320 6.335 50 30 HKEARN Cc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1C ZINC000004807299 559067626 /nfs/dbraw/zinc/06/76/26/559067626.db2.gz VREBPAGFSVBZKN-UHFFFAOYSA-N 0 0 416.528 6.619 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004807944 559068573 /nfs/dbraw/zinc/06/85/73/559068573.db2.gz AMKADJITAAIDTC-LSHDLFTRSA-N 0 0 417.372 5.830 50 30 HKEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000004808683 559068579 /nfs/dbraw/zinc/06/85/79/559068579.db2.gz OVBJRDJVKMBEDD-OAHLLOKOSA-N 0 0 408.571 5.406 50 30 HKEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000004808685 559068576 /nfs/dbraw/zinc/06/85/76/559068576.db2.gz OVBJRDJVKMBEDD-HNNXBMFYSA-N 0 0 408.571 5.406 50 30 HKEARN CC(C)c1ccc(/C=C(/C(=O)c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000004808699 559068678 /nfs/dbraw/zinc/06/86/78/559068678.db2.gz CNMSFWXLHAJAOC-HKWRFOASSA-N 0 0 401.893 7.028 50 30 HKEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)c(C)cc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004809760 568964219 /nfs/dbraw/zinc/96/42/19/568964219.db2.gz KICOZARSHIVTLV-XMMPIXPASA-N 0 0 415.537 5.428 50 30 HKEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)c(C)cc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004809762 568964232 /nfs/dbraw/zinc/96/42/32/568964232.db2.gz KICOZARSHIVTLV-DEOSSOPVSA-N 0 0 415.537 5.428 50 30 HKEARN C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OCC)c1OCc1ccccc1 ZINC000004809993 568964006 /nfs/dbraw/zinc/96/40/06/568964006.db2.gz JKQQGSQHRKMSSL-OUKQBFOZSA-N 0 0 420.465 5.768 50 30 HKEARN C=CCn1c(S[C@@H](CC)C(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000004811302 568964260 /nfs/dbraw/zinc/96/42/60/568964260.db2.gz BYQLBAFTJUOCFC-SFHVURJKSA-N 0 0 412.946 5.294 50 30 HKEARN C=CCn1c(S[C@H](CC)C(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000004811303 568964255 /nfs/dbraw/zinc/96/42/55/568964255.db2.gz BYQLBAFTJUOCFC-GOSISDBHSA-N 0 0 412.946 5.294 50 30 HKEARN CC(=NN=c1cc(C)[nH]c(NCc2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000004811416 559069196 /nfs/dbraw/zinc/06/91/96/559069196.db2.gz LSMMGDQYSFBURI-VULFUBBASA-N 0 0 400.313 5.540 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000004811564 559069219 /nfs/dbraw/zinc/06/92/19/559069219.db2.gz FPVVAPXXMQELCK-BHGWPJFGSA-N 0 0 406.795 5.270 50 30 HKEARN Clc1nnc(N=NCc2cn(Cc3ccccc3)c3ccccc23)c2ccccc12 ZINC000004811627 557600780 /nfs/dbraw/zinc/60/07/80/557600780.db2.gz ZQYWRSJGQSMDQH-VULFUBBASA-N 0 0 411.896 5.732 50 30 HKEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3C)nc3ccccc32)cc1 ZINC000004812170 559069429 /nfs/dbraw/zinc/06/94/29/559069429.db2.gz HSSRQQCNLGVGRS-OVVQPSECSA-N 0 0 409.537 5.897 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004812184 557600793 /nfs/dbraw/zinc/60/07/93/557600793.db2.gz XPMXIDBUOPTCLQ-VWLOTQADSA-N 0 0 417.553 5.306 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000004812185 557600811 /nfs/dbraw/zinc/60/08/11/557600811.db2.gz XPMXIDBUOPTCLQ-RUZDIDTESA-N 0 0 417.553 5.306 50 30 HKEARN Clc1ccc2nc(N=NCc3ccnc4ccccc34)nc(-c3ccccc3)c2c1 ZINC000004812331 557600760 /nfs/dbraw/zinc/60/07/60/557600760.db2.gz RWWBOKSJUMJOJX-JFLMPSFJSA-N 0 0 409.880 5.944 50 30 HKEARN CN(/N=C/c1ccccc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 ZINC000004812345 559069405 /nfs/dbraw/zinc/06/94/05/559069405.db2.gz NHIBVBBGTGHEFY-LFVJCYFKSA-N 0 0 401.560 6.432 50 30 HKEARN COc1ccccc1C/N=C/c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000004812778 559069583 /nfs/dbraw/zinc/06/95/83/559069583.db2.gz FJEBXNXDAVZISJ-AFUMVMLFSA-N 0 0 420.465 5.119 50 30 HKEARN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000004812802 559069526 /nfs/dbraw/zinc/06/95/26/559069526.db2.gz BKHMBQISFIFGCR-FQEVSTJZSA-N 0 0 423.605 5.052 50 30 HKEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000004812803 559069556 /nfs/dbraw/zinc/06/95/56/559069556.db2.gz BKHMBQISFIFGCR-HXUWFJFHSA-N 0 0 423.605 5.052 50 30 HKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000004813783 559075113 /nfs/dbraw/zinc/07/51/13/559075113.db2.gz XOJOPEGZFWUWDA-ZVHZXABRSA-N 0 0 405.910 6.702 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)sc2c1CCC2 ZINC000004813872 559075563 /nfs/dbraw/zinc/07/55/63/559075563.db2.gz XHRGWASOAKOESS-UHFFFAOYSA-N 0 0 412.470 5.134 50 30 HKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1cccs1 ZINC000004814275 559075998 /nfs/dbraw/zinc/07/59/98/559075998.db2.gz CJVGTKIONPZAMV-SFHVURJKSA-N 0 0 415.345 6.200 50 30 HKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1cccs1 ZINC000004814276 559076016 /nfs/dbraw/zinc/07/60/16/559076016.db2.gz CJVGTKIONPZAMV-GOSISDBHSA-N 0 0 415.345 6.200 50 30 HKEARN Cc1ccc([C@]2(CC(=O)OCCC[C@@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004814908 559077787 /nfs/dbraw/zinc/07/77/87/559077787.db2.gz IBFLPBRJAUJAIW-HOFKKMOUSA-N 0 0 419.565 5.843 50 30 HKEARN Cc1ccc([C@@]2(CC(=O)OCCC[C@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000004814917 559077806 /nfs/dbraw/zinc/07/78/06/559077806.db2.gz IBFLPBRJAUJAIW-YIXXDRMTSA-N 0 0 419.565 5.843 50 30 HKEARN CCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000004815340 559078140 /nfs/dbraw/zinc/07/81/40/559078140.db2.gz KMTDKRASUWVGDR-UHFFFAOYSA-N 0 0 410.510 5.392 50 30 HKEARN CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000004815351 559078167 /nfs/dbraw/zinc/07/81/67/559078167.db2.gz DPELSCQHLTYAHP-UHFFFAOYSA-N 0 0 400.902 5.647 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)cc1 ZINC000004815424 559078207 /nfs/dbraw/zinc/07/82/07/559078207.db2.gz GBQFLSIPSWKLEG-HMAPJEAMSA-N 0 0 402.471 5.552 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(F)cc2)c1Cc1ccccc1 ZINC000004815767 559068906 /nfs/dbraw/zinc/06/89/06/559068906.db2.gz KJPCYDUJNNPAPQ-UHFFFAOYSA-N 0 0 406.464 6.141 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4ncccc4c3)nc(-c3ccccc3)c2c1 ZINC000004817382 557601499 /nfs/dbraw/zinc/60/14/99/557601499.db2.gz UVHHBIVIUZYZLS-JFLMPSFJSA-N 0 0 409.880 5.944 50 30 HKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004817825 557601525 /nfs/dbraw/zinc/60/15/25/557601525.db2.gz RYSWMVHRWVFVHI-QHCPKHFHSA-N 0 0 415.489 5.490 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc2ccccc2c1 ZINC000004818423 557601677 /nfs/dbraw/zinc/60/16/77/557601677.db2.gz NFHCERYAURAKSQ-QHCPKHFHSA-N 0 0 405.497 5.777 50 30 HKEARN O=C(/C(=C/c1cccc(Br)c1)c1nc2ccccc2o1)c1ccccc1 ZINC000004818965 557601953 /nfs/dbraw/zinc/60/19/53/557601953.db2.gz QNIMXEAXDRZZCI-JXAWBTAJSA-N 0 0 404.263 6.014 50 30 HKEARN Fc1ccc(Cn2cc(/C=N/NC(=S)Nc3ccccc3)c3ccccc32)cc1 ZINC000004819937 559119312 /nfs/dbraw/zinc/11/93/12/559119312.db2.gz DDZHNVHZUYNBKC-AFUMVMLFSA-N 0 0 402.498 5.149 50 30 HKEARN CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(N(C)C)cc1)C(C)(C)CCC2(C)C ZINC000004820086 559119345 /nfs/dbraw/zinc/11/93/45/559119345.db2.gz WXODCSGAWQTZIS-UOSOPFLXSA-N 0 0 403.614 6.507 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N ZINC000004820245 559119056 /nfs/dbraw/zinc/11/90/56/559119056.db2.gz FCHYYVSVOWMWIH-VROXFSQNSA-N 0 0 415.280 5.421 50 30 HKEARN Cc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2)cc1Cl ZINC000004820586 559124167 /nfs/dbraw/zinc/12/41/67/559124167.db2.gz PCYHZCUQWKNQBZ-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000004822569 559151453 /nfs/dbraw/zinc/15/14/53/559151453.db2.gz LTKJZDQJFVWZBZ-OAHLLOKOSA-N 0 0 404.645 5.933 50 30 HKEARN C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000004822572 559151454 /nfs/dbraw/zinc/15/14/54/559151454.db2.gz LTKJZDQJFVWZBZ-HNNXBMFYSA-N 0 0 404.645 5.933 50 30 HKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004823112 557603297 /nfs/dbraw/zinc/60/32/97/557603297.db2.gz CGHCUUYJBXCCHO-VAWYXSNFSA-N 0 0 422.572 6.646 50 30 HKEARN COc1ccc(/C=N/N2CCOCC2)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000004824998 559153089 /nfs/dbraw/zinc/15/30/89/559153089.db2.gz AACWZGBSBLOUHI-AFUMVMLFSA-N 0 0 416.949 5.026 50 30 HKEARN CCOc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccc(C)cc2)cc1 ZINC000004825243 559153114 /nfs/dbraw/zinc/15/31/14/559153114.db2.gz VXBQALKUMIWUSV-KQWNVCNZSA-N 0 0 415.514 5.871 50 30 HKEARN CCOc1ccc(/C=C2\CC/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000004825936 559154503 /nfs/dbraw/zinc/15/45/03/559154503.db2.gz SSBRASWQMLPEFQ-LRVMPXQBSA-N 0 0 408.494 5.331 50 30 HKEARN CCOc1ccc(/C=C2\CCC/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000004825937 559154482 /nfs/dbraw/zinc/15/44/82/559154482.db2.gz QLYFCZTWXFKCPM-TVGQLCNQSA-N 0 0 422.521 5.721 50 30 HKEARN CC(C)Oc1ccccc1/C=C1/CC(C)C/C(=C/c2ccccc2OC(C)C)C1=O ZINC000004825991 559154505 /nfs/dbraw/zinc/15/45/05/559154505.db2.gz OBIASHJLCYWMPJ-KHFFFTKUSA-N 0 0 404.550 6.727 50 30 HKEARN O=C1/C(=C/c2ccc(Br)o2)CCC/C1=C/c1ccc(Br)o1 ZINC000004826022 559154497 /nfs/dbraw/zinc/15/44/97/559154497.db2.gz QWVRXKRVNMVUMU-PNQPDEHRSA-N 0 0 412.077 5.618 50 30 HKEARN CCc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000004826180 559154575 /nfs/dbraw/zinc/15/45/75/559154575.db2.gz NAAPDTHJVUKHCB-UOSOPFLXSA-N 0 0 421.584 6.363 50 30 HKEARN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000004826197 559154475 /nfs/dbraw/zinc/15/44/75/559154475.db2.gz WRNUBVSSYSARIG-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN CCC(C)(C)C1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 ZINC000004826354 559154936 /nfs/dbraw/zinc/15/49/36/559154936.db2.gz YELYTNNFQASNSO-YHARCJFQSA-N 0 0 404.550 6.586 50 30 HKEARN COc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000004826367 559154896 /nfs/dbraw/zinc/15/48/96/559154896.db2.gz CTJACJXXVHIZFR-MUPYBJATSA-N 0 0 410.513 6.318 50 30 HKEARN CCC(C)(C)C1C/C(=C\c2ccccc2OC)C(=O)/C(=C/c2ccccc2OC)C1 ZINC000004826377 559154945 /nfs/dbraw/zinc/15/49/45/559154945.db2.gz YIHVHTPTXKPOKD-YHARCJFQSA-N 0 0 404.550 6.586 50 30 HKEARN CCC(C)(C)C1C/C(=C\c2cccc(Cl)c2)C(=O)/C(=C/c2cccc(Cl)c2)C1 ZINC000004826381 559154909 /nfs/dbraw/zinc/15/49/09/559154909.db2.gz FMOFXXQUANYPRZ-AYKLPDECSA-N 0 0 413.388 7.876 50 30 HKEARN COc1ccccc1/C=C1\CC(c2ccccc2)C/C(=C\c2ccccc2OC)C1=O ZINC000004826390 559154836 /nfs/dbraw/zinc/15/48/36/559154836.db2.gz BTRUHHIFTSTTNX-MUPYBJATSA-N 0 0 410.513 6.318 50 30 HKEARN O=C1/C(=C/c2cccc(Cl)c2)CC(c2ccccc2)C/C1=C\c1cccc(Cl)c1 ZINC000004826391 559154837 /nfs/dbraw/zinc/15/48/37/559154837.db2.gz OVOQMDSXYUPWAS-FWSOMWAYSA-N 0 0 419.351 7.607 50 30 HKEARN CC(C)(C)C1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000004826410 557603569 /nfs/dbraw/zinc/60/35/69/557603569.db2.gz OFJFTPGESUQDSD-XOBNHNQQSA-N 0 0 420.465 5.995 50 30 HKEARN CCC1C/C(=C\c2ccc(OC)c(OC)c2)C(=O)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000004826542 559155476 /nfs/dbraw/zinc/15/54/76/559155476.db2.gz ZBVSIBYYVDNUEP-KVVJQUGZSA-N 0 0 422.521 5.577 50 30 HKEARN COc1cccc(/C=C2\CC(c3ccccc3)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000004826544 559155463 /nfs/dbraw/zinc/15/54/63/559155463.db2.gz KUMHEWMIPSCWRZ-KOJZRSEWSA-N 0 0 410.513 6.318 50 30 HKEARN CCc1ccc(/C=C2\CC(C(C)(C)CC)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000004826610 559155480 /nfs/dbraw/zinc/15/54/80/559155480.db2.gz JPDRUYRDJMTSSC-RPCRKUJJSA-N 0 0 400.606 7.694 50 30 HKEARN CSc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 ZINC000004826614 559155517 /nfs/dbraw/zinc/15/55/17/559155517.db2.gz RVVHQHDDRLLIDW-OZNQKUEASA-N 0 0 422.659 7.623 50 30 HKEARN CCc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000004826629 559155479 /nfs/dbraw/zinc/15/54/79/559155479.db2.gz GJWQAZLLFCHLMJ-UOSOPFLXSA-N 0 0 406.569 7.425 50 30 HKEARN CCC(C)(C)C1C/C(=C\c2ccc(F)c(F)c2)C(=O)/C(=C/c2ccc(F)c(F)c2)C1 ZINC000004826635 559155465 /nfs/dbraw/zinc/15/54/65/559155465.db2.gz VGGRODCRRYMDIJ-BEQMOXJMSA-N 0 0 416.458 7.125 50 30 HKEARN CC(C)(C)C1C/C(=C\c2ccc(F)c(F)c2)C(=O)/C(=C/c2ccc(F)c(F)c2)C1 ZINC000004826639 559155506 /nfs/dbraw/zinc/15/55/06/559155506.db2.gz PFAZHWUSWXNMFY-GONBZBRSSA-N 0 0 402.431 6.735 50 30 HKEARN CCC1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 ZINC000004826648 559155502 /nfs/dbraw/zinc/15/55/02/559155502.db2.gz PEDCWDZGOMGIFO-LCPPQYOVSA-N 0 0 407.287 7.128 50 30 HKEARN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000004826800 559155494 /nfs/dbraw/zinc/15/54/94/559155494.db2.gz HSCVTIFXJHAWAA-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c(OC)c1 ZINC000004826828 559155472 /nfs/dbraw/zinc/15/54/72/559155472.db2.gz BLGHMDSQLMTFKY-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000004827750 559155423 /nfs/dbraw/zinc/15/54/23/559155423.db2.gz CMDIFHILGNCBOO-ZMOGYAJESA-N 0 0 404.857 5.110 50 30 HKEARN COC(=O)c1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000004827779 559155435 /nfs/dbraw/zinc/15/54/35/559155435.db2.gz VGYJPWSNHRAZMC-NANGTYGOSA-N 0 0 415.478 5.641 50 30 HKEARN COc1cc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)ccc1O ZINC000004827810 559155413 /nfs/dbraw/zinc/15/54/13/559155413.db2.gz KFEZRYVSISNNJT-ZMOGYAJESA-N 0 0 404.857 5.110 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000004827976 559155418 /nfs/dbraw/zinc/15/54/18/559155418.db2.gz KFXQVFSZPHUEGI-MZJWZYIUSA-N 0 0 407.304 6.440 50 30 HKEARN Cc1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 ZINC000004828182 559155404 /nfs/dbraw/zinc/15/54/04/559155404.db2.gz QUKVGXRCISBREJ-FKIVBMLTSA-N 0 0 415.540 7.101 50 30 HKEARN Cc1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 ZINC000004828185 559155452 /nfs/dbraw/zinc/15/54/52/559155452.db2.gz QUKVGXRCISBREJ-QEUXCTTPSA-N 0 0 415.540 7.101 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000004828353 559155393 /nfs/dbraw/zinc/15/53/93/559155393.db2.gz BSQMBRJYUYIBAM-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 ZINC000004828551 559155762 /nfs/dbraw/zinc/15/57/62/559155762.db2.gz IMRVUCXHGZYKGL-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000004828559 559155786 /nfs/dbraw/zinc/15/57/86/559155786.db2.gz OQBRRVNFEJBFMH-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN O=[N+]([O-])c1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004828613 559155815 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CC(N=Nc1nc(-c2ccccc2Cl)nc2ccccc21)c1ccc(Cl)cc1 ZINC000004828761 559155791 /nfs/dbraw/zinc/15/57/91/559155791.db2.gz KKLAEAUMJWKHJU-MZJWZYIUSA-N 0 0 407.304 6.440 50 30 HKEARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000004828909 559155965 /nfs/dbraw/zinc/15/59/65/559155965.db2.gz OLYOYBAFECCGND-MPIQAULUSA-N 0 0 401.447 5.403 50 30 HKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000004828939 559155931 /nfs/dbraw/zinc/15/59/31/559155931.db2.gz JJAKOFKAQIYHIL-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000004832086 559163987 /nfs/dbraw/zinc/16/39/87/559163987.db2.gz JGMJSHVKLYIUFA-JFLMPSFJSA-N 0 0 402.885 5.795 50 30 HKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)ccc1O ZINC000004832161 559163975 /nfs/dbraw/zinc/16/39/75/559163975.db2.gz XZBIOPVNVJMAPM-ZMOGYAJESA-N 0 0 404.857 5.110 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2cccs2)cc1OC ZINC000004833469 559164441 /nfs/dbraw/zinc/16/44/41/559164441.db2.gz AMIJWHBSNVOJKD-BQYQJAHWSA-N 0 0 412.438 5.020 50 30 HKEARN COc1ccccc1C(=O)Oc1ccc(F)cc1C(=O)/C=C/c1ccccc1Cl ZINC000004833699 559165139 /nfs/dbraw/zinc/16/51/39/559165139.db2.gz SWWGJPFLYYSZQT-ZRDIBKRKSA-N 0 0 410.828 5.603 50 30 HKEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2cccs2)cc1OC ZINC000004833727 559165143 /nfs/dbraw/zinc/16/51/43/559165143.db2.gz KETBPNKDHFVONN-VQHVLOKHSA-N 0 0 408.475 5.189 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc1 ZINC000004834124 557604497 /nfs/dbraw/zinc/60/44/97/557604497.db2.gz JQBIENZOIVIPSX-PGMHBOJBSA-N 0 0 401.437 6.179 50 30 HKEARN CC(C)Oc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000004834137 559165153 /nfs/dbraw/zinc/16/51/53/559165153.db2.gz USQIPHUJTHPZPD-QNGOZBTKSA-N 0 0 417.892 6.692 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 ZINC000004834203 557604626 /nfs/dbraw/zinc/60/46/26/557604626.db2.gz HQBBVOLWTRAUHB-ZHZULCJRSA-N 0 0 415.445 5.277 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C/c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000004834205 559165131 /nfs/dbraw/zinc/16/51/31/559165131.db2.gz DVLYQJHSJCNRCG-SILNSSARSA-N 0 0 417.892 6.694 50 30 HKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3s2)cc1 ZINC000004834243 557604651 /nfs/dbraw/zinc/60/46/51/557604651.db2.gz NKCSGWXGAVTHOC-HKWRFOASSA-N 0 0 403.478 6.258 50 30 HKEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000004834348 559165130 /nfs/dbraw/zinc/16/51/30/559165130.db2.gz MVZWTHGZOKKUQM-QGZVFWFLSA-N 0 0 422.598 5.465 50 30 HKEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000004834349 559165122 /nfs/dbraw/zinc/16/51/22/559165122.db2.gz MVZWTHGZOKKUQM-KRWDZBQOSA-N 0 0 422.598 5.465 50 30 HKEARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)C(=NNc2ccccc2)C1 ZINC000004834390 559165241 /nfs/dbraw/zinc/16/52/41/559165241.db2.gz NVTYZUYCZQFBQI-QCWLDUFUSA-N 0 0 405.545 6.933 50 30 HKEARN Cc1ccc2cc(C)c(NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 ZINC000004834807 559165341 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ZYYZCERPMVJWKX-FQEVSTJZSA-N 0 0 423.605 5.340 50 30 HKEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC ZINC000004836784 559166144 /nfs/dbraw/zinc/16/61/44/559166144.db2.gz ZYYZCERPMVJWKX-HXUWFJFHSA-N 0 0 423.605 5.340 50 30 HKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000004836837 559166182 /nfs/dbraw/zinc/16/61/82/559166182.db2.gz NWCVUKWTUDWXIN-HXUWFJFHSA-N 0 0 421.589 5.092 50 30 HKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 ZINC000004836840 559166152 /nfs/dbraw/zinc/16/61/52/559166152.db2.gz NWCVUKWTUDWXIN-FQEVSTJZSA-N 0 0 421.589 5.092 50 30 HKEARN CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1ccccc1Cl ZINC000004836949 557604708 /nfs/dbraw/zinc/60/47/08/557604708.db2.gz SHQNMRFFPKWQOY-NTUHNPAUSA-N 0 0 408.881 5.919 50 30 HKEARN CCOc1ccc(-c2nc(N=NCc3c(Cl)cccc3Cl)sc2C)cc1 ZINC000004837083 571308935 /nfs/dbraw/zinc/30/89/35/571308935.db2.gz LJLHZVVAWSAIAY-SSDVNMTOSA-N 0 0 406.338 6.270 50 30 HKEARN C=CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 ZINC000004837399 559166420 /nfs/dbraw/zinc/16/64/20/559166420.db2.gz DQRUZZJXORODPR-UHFFFAOYSA-N 0 0 421.603 6.021 50 30 HKEARN CCc1cc2c(cc1/C(C)=N/N=C/c1ccc3c(c1)OCO3)C(C)(C)CCC2(C)C ZINC000004837535 559166493 /nfs/dbraw/zinc/16/64/93/559166493.db2.gz IQWJGDLPUSVUCC-ONUBKXIWSA-N 0 0 404.554 6.170 50 30 HKEARN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1 ZINC000004837544 559166633 /nfs/dbraw/zinc/16/66/33/559166633.db2.gz ZZURGLVLOGGSOR-SEELMDQKSA-N 0 0 411.889 5.599 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000004838768 559166991 /nfs/dbraw/zinc/16/69/91/559166991.db2.gz IBYBVWVNEBGBEM-PDGQHHTCSA-N 0 0 401.940 5.306 50 30 HKEARN CCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCC)cc2)cc1 ZINC000004844211 559179109 /nfs/dbraw/zinc/17/91/09/559179109.db2.gz PAONNXBCVJWYJE-KAVGSWPWSA-N 0 0 406.566 7.120 50 30 HKEARN CC/C(C)=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000004844281 559179061 /nfs/dbraw/zinc/17/90/61/559179061.db2.gz ZRTBQIULPYUWAF-YRQCHPQVSA-N 0 0 422.598 5.796 50 30 HKEARN CC/C(C)=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000004844282 559179035 /nfs/dbraw/zinc/17/90/35/559179035.db2.gz ZRTBQIULPYUWAF-FFGRAEKCSA-N 0 0 422.598 5.796 50 30 HKEARN COc1ccc([C@@]2(CC/N=C/c3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 ZINC000004844292 559179139 /nfs/dbraw/zinc/17/91/39/559179139.db2.gz PSIZCYKXAXCPTL-AUXZNKLVSA-N 0 0 411.542 5.048 50 30 HKEARN COc1ccc([C@]2(CC/N=C/c3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 ZINC000004844293 559179153 /nfs/dbraw/zinc/17/91/53/559179153.db2.gz PSIZCYKXAXCPTL-TUIZQPODSA-N 0 0 411.542 5.048 50 30 HKEARN COc1cc(C=NNC(=Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O ZINC000004844920 557605454 /nfs/dbraw/zinc/60/54/54/557605454.db2.gz MJFBWLLCCXNNPW-ZVHZXABRSA-N 0 0 416.506 5.212 50 30 HKEARN C=CCSC1=N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)S1 ZINC000004845165 557605468 /nfs/dbraw/zinc/60/54/68/557605468.db2.gz RZFUEHWTZCHVRI-ZROIWOOFSA-N 0 0 406.872 5.398 50 30 HKEARN C=CCSC1=N/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)S1 ZINC000004845289 557605626 /nfs/dbraw/zinc/60/56/26/557605626.db2.gz OFYKAZQOFOFJOH-ATVHPVEESA-N 0 0 401.940 5.809 50 30 HKEARN C=CCSC1=N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)S1 ZINC000004845328 557605661 /nfs/dbraw/zinc/60/56/61/557605661.db2.gz BQHBVCCOUBCEQJ-ATVHPVEESA-N 0 0 401.940 5.809 50 30 HKEARN CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000004846166 557605852 /nfs/dbraw/zinc/60/58/52/557605852.db2.gz DESSPRRCUAPCRU-RUZDIDTESA-N 0 0 418.537 5.638 50 30 HKEARN CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000004846167 557605848 /nfs/dbraw/zinc/60/58/48/557605848.db2.gz DESSPRRCUAPCRU-VWLOTQADSA-N 0 0 418.537 5.638 50 30 HKEARN COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000004851372 557606433 /nfs/dbraw/zinc/60/64/33/557606433.db2.gz USQYRGUZZIGONI-AQTBWJFISA-N 0 0 414.461 5.012 50 30 HKEARN Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1 ZINC000004851376 557606410 /nfs/dbraw/zinc/60/64/10/557606410.db2.gz YPJGDXKXKPZGCS-MOHJPFBDSA-N 0 0 417.512 6.394 50 30 HKEARN O/N=C(Nc1cc(Cl)ccc1Cl)/C(=N/O)Nc1cc(Cl)ccc1Cl ZINC000004852058 559191316 /nfs/dbraw/zinc/19/13/16/559191316.db2.gz BHKSLVDIUQCUGQ-UHFFFAOYSA-N 0 0 408.072 5.400 50 30 HKEARN Cc1ccc(-c2cc(-c3c4ccccc4cc4ccccc43)c(C#N)c(N)c2C#N)cc1 ZINC000004853443 559191855 /nfs/dbraw/zinc/19/18/55/559191855.db2.gz VJHRNNUHRQEGED-UHFFFAOYSA-N 0 0 409.492 6.961 50 30 HKEARN C=CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004857645 559192676 /nfs/dbraw/zinc/19/26/76/559192676.db2.gz TVOZQNAPBHNPSP-AHWVRZQESA-N 0 0 412.489 5.502 50 30 HKEARN C=CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004857647 559192668 /nfs/dbraw/zinc/19/26/68/559192668.db2.gz TVOZQNAPBHNPSP-RSXGOPAZSA-N 0 0 412.489 5.502 50 30 HKEARN CCCCc1c(C)c2ccc3oc(/C(=N/O)c4ccc(C)cc4)c(C)c3c2oc1=O ZINC000004858023 559192797 /nfs/dbraw/zinc/19/27/97/559192797.db2.gz CHBUMUBQBICVPB-XTCLZLMSSA-N 0 0 403.478 6.034 50 30 HKEARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(C)c(C#Cc3ccccc3)c2C)cc1 ZINC000004859510 568964438 /nfs/dbraw/zinc/96/44/38/568964438.db2.gz CUMOSIXIKIIHKH-UHFFFAOYSA-N 0 0 419.524 6.449 50 30 HKEARN COc1ccc(OC)c(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000004862909 559193176 /nfs/dbraw/zinc/19/31/76/559193176.db2.gz WWVIRFKVCHWIEV-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN COc1cccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1OC ZINC000004862937 559193247 /nfs/dbraw/zinc/19/32/47/559193247.db2.gz AOPHQPCVASUCKB-AFUMVMLFSA-N 0 0 418.884 5.413 50 30 HKEARN C[C@H](/C=N/n1cnc2c3cc(Cl)ccc3[nH]c2c1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000004863007 559193319 /nfs/dbraw/zinc/19/33/19/559193319.db2.gz PWAWKCFXJDJRMH-OWAQKBPCSA-N 0 0 420.944 5.541 50 30 HKEARN C[C@@H](/C=N/n1cnc2c3cc(Cl)ccc3[nH]c2c1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000004863008 559193304 /nfs/dbraw/zinc/19/33/04/559193304.db2.gz PWAWKCFXJDJRMH-QJXMJWHHSA-N 0 0 420.944 5.541 50 30 HKEARN COc1ccc(/C=N/N(C)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000004863017 559193313 /nfs/dbraw/zinc/19/33/13/559193313.db2.gz DATBDZKJDCLDPO-PCLIKHOPSA-N 0 0 415.518 6.081 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(I)cc2)cc1 ZINC000004863045 559193349 /nfs/dbraw/zinc/19/33/49/559193349.db2.gz BGMCDGRPDQXNCM-GIDUJCDVSA-N 0 0 410.254 5.854 50 30 HKEARN Cc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1 ZINC000004863049 559193292 /nfs/dbraw/zinc/19/32/92/559193292.db2.gz XHBDJWILCRUGPU-WSDLNYQXSA-N 0 0 407.271 5.407 50 30 HKEARN CCN(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)C1CCCCC1 ZINC000004863551 559193451 /nfs/dbraw/zinc/19/34/51/559193451.db2.gz NKNXKKZLDLNQQI-UHFFFAOYSA-N 0 0 422.550 5.047 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000004863782 560877871 /nfs/dbraw/zinc/87/78/71/560877871.db2.gz MJWBUPYPLQVHDN-LFIBNONCSA-N 0 0 414.892 6.097 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004863787 569366116 /nfs/dbraw/zinc/36/61/16/569366116.db2.gz HCGSAZYJFUPVHN-XNTDXEJSSA-N 0 0 402.856 6.228 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1OC ZINC000004863792 560878019 /nfs/dbraw/zinc/87/80/19/560878019.db2.gz HFIILNNMPAKGRC-ZRDIBKRKSA-N 0 0 416.502 5.514 50 30 HKEARN O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000004863832 557607992 /nfs/dbraw/zinc/60/79/92/557607992.db2.gz VAXXAAJFGMKLMZ-ZVHZXABRSA-N 0 0 401.401 5.033 50 30 HKEARN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000004864500 560614080 /nfs/dbraw/zinc/61/40/80/560614080.db2.gz PLYNTLFRTGYPHW-AQTBWJFISA-N 0 0 403.825 5.548 50 30 HKEARN COc1cc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 ZINC000004865312 560877937 /nfs/dbraw/zinc/87/79/37/560877937.db2.gz DNJLTODRFPEBBQ-CYVLTUHYSA-N 0 0 414.461 5.012 50 30 HKEARN COc1ccc(CC(=O)Nc2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1 ZINC000004865363 557607931 /nfs/dbraw/zinc/60/79/31/557607931.db2.gz FHDVMVOJBJYZSG-FRKPEAEDSA-N 0 0 417.530 5.494 50 30 HKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000004865449 557607895 /nfs/dbraw/zinc/60/78/95/557607895.db2.gz PSYRMERRBXSKNP-OVCLIPMQSA-N 0 0 407.922 6.210 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000004865469 568964397 /nfs/dbraw/zinc/96/43/97/568964397.db2.gz XGHSFGOWOFIYOW-PTGBLXJZSA-N 0 0 418.562 5.176 50 30 HKEARN CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 ZINC000004865507 557607926 /nfs/dbraw/zinc/60/79/26/557607926.db2.gz VWULITNGGSZKLC-OVCLIPMQSA-N 0 0 417.530 5.631 50 30 HKEARN COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 ZINC000004865520 557608015 /nfs/dbraw/zinc/60/80/15/557608015.db2.gz HDOJFJSMVRUUKC-CXUHLZMHSA-N 0 0 403.503 5.566 50 30 HKEARN CCOc1ccc(/C=C(\C(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000004865598 557607985 /nfs/dbraw/zinc/60/79/85/557607985.db2.gz VHADSPINOLMBKD-HMMYKYKNSA-N 0 0 414.417 5.558 50 30 HKEARN CCCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1 ZINC000004866156 559193768 /nfs/dbraw/zinc/19/37/68/559193768.db2.gz UNMHQHGWAVGEOA-UHFFFAOYSA-N 0 0 411.549 6.938 50 30 HKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000004869639 559193961 /nfs/dbraw/zinc/19/39/61/559193961.db2.gz YQUPKFFMVYWKGH-XHSKXDHISA-N 0 0 422.598 5.085 50 30 HKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000004869640 559193963 /nfs/dbraw/zinc/19/39/63/559193963.db2.gz YQUPKFFMVYWKGH-AKFYTOGBSA-N 0 0 422.598 5.085 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004869672 559193966 /nfs/dbraw/zinc/19/39/66/559193966.db2.gz ONYKRRVUHYDZCK-ZBLYBZFDSA-N 0 0 423.516 5.311 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004869673 559193974 /nfs/dbraw/zinc/19/39/74/559193974.db2.gz ONYKRRVUHYDZCK-IDISGSTGSA-N 0 0 423.516 5.311 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004869674 559193985 /nfs/dbraw/zinc/19/39/85/559193985.db2.gz ONYKRRVUHYDZCK-JIPXPUAJSA-N 0 0 423.516 5.311 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004869675 559194003 /nfs/dbraw/zinc/19/40/03/559194003.db2.gz ONYKRRVUHYDZCK-KDYSTLNUSA-N 0 0 423.516 5.311 50 30 HKEARN CCCCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)CC(C)(C)CC1=O ZINC000004869735 559194015 /nfs/dbraw/zinc/19/40/15/559194015.db2.gz VUPSGXXOTXSRTK-UHFFFAOYSA-N 0 0 415.537 5.707 50 30 HKEARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004872302 559194601 /nfs/dbraw/zinc/19/46/01/559194601.db2.gz YEIUVRKLZLUHDW-SFHVURJKSA-N 0 0 423.582 5.179 50 30 HKEARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004872326 559194591 /nfs/dbraw/zinc/19/45/91/559194591.db2.gz YEIUVRKLZLUHDW-GOSISDBHSA-N 0 0 423.582 5.179 50 30 HKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000004879094 559195938 /nfs/dbraw/zinc/19/59/38/559195938.db2.gz NTOMNWMVNGVDHW-GOSISDBHSA-N 0 0 402.951 5.236 50 30 HKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000004879102 559195953 /nfs/dbraw/zinc/19/59/53/559195953.db2.gz NTOMNWMVNGVDHW-SFHVURJKSA-N 0 0 402.951 5.236 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4F)nn32)cc1 ZINC000004879356 559196065 /nfs/dbraw/zinc/19/60/65/559196065.db2.gz SIPQPBVPHUAFTB-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4F)nn32)cc1 ZINC000004879367 559196066 /nfs/dbraw/zinc/19/60/66/559196066.db2.gz SIPQPBVPHUAFTB-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c1 ZINC000004879370 559196071 /nfs/dbraw/zinc/19/60/71/559196071.db2.gz DACNPWDERMGZKQ-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c1 ZINC000004879383 559196051 /nfs/dbraw/zinc/19/60/51/559196051.db2.gz DACNPWDERMGZKQ-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)CCCCC ZINC000004880959 559196432 /nfs/dbraw/zinc/19/64/32/559196432.db2.gz 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C=CCSC1=N/C(=C\c2ccccc2F)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004883012 559197488 /nfs/dbraw/zinc/19/74/88/559197488.db2.gz YLADIKZVRYIJLH-BOPFTXTBSA-N 0 0 402.878 5.151 50 30 HKEARN C=CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883192 559197497 /nfs/dbraw/zinc/19/74/97/559197497.db2.gz KXEAXNNXVKQYDP-CJLVFECKSA-N 0 0 422.550 5.535 50 30 HKEARN C=CCSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004883216 559197503 /nfs/dbraw/zinc/19/75/03/559197503.db2.gz VMLQCBDLFSNGDH-CPNJWEJPSA-N 0 0 412.942 5.574 50 30 HKEARN CCC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004888672 559197774 /nfs/dbraw/zinc/19/77/74/559197774.db2.gz MWGUENIFBORDOX-JGTLJEJISA-N 0 0 415.562 5.782 50 30 HKEARN CCC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000004888673 559197776 /nfs/dbraw/zinc/19/77/76/559197776.db2.gz MWGUENIFBORDOX-LPKHAAKTSA-N 0 0 415.562 5.782 50 30 HKEARN CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000004889175 559197781 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0 420.512 5.347 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000004973558 557618873 /nfs/dbraw/zinc/61/88/73/557618873.db2.gz XAHQIKSTTRYBOC-BCHFMIIMSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000004973559 557618806 /nfs/dbraw/zinc/61/88/06/557618806.db2.gz XAHQIKSTTRYBOC-SIBVEZHUSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000004973560 557618792 /nfs/dbraw/zinc/61/87/92/557618792.db2.gz XAHQIKSTTRYBOC-NIYFSFCBSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000004973561 557618887 /nfs/dbraw/zinc/61/88/87/557618887.db2.gz XAHQIKSTTRYBOC-AFMDSPMNSA-N 0 0 410.521 5.127 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000004973562 557618822 /nfs/dbraw/zinc/61/88/22/557618822.db2.gz CTLNTZZHCZRQBJ-UPCLLVRISA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 ZINC000004973563 557618826 /nfs/dbraw/zinc/61/88/26/557618826.db2.gz CTLNTZZHCZRQBJ-FYSMJZIKSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000004973564 557618829 /nfs/dbraw/zinc/61/88/29/557618829.db2.gz CTLNTZZHCZRQBJ-VOIUYBSRSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 ZINC000004973565 557618843 /nfs/dbraw/zinc/61/88/43/557618843.db2.gz CTLNTZZHCZRQBJ-GYCJOSAFSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973582 557618881 /nfs/dbraw/zinc/61/88/81/557618881.db2.gz BVOCDGCUHIGDHL-GYCJOSAFSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973583 557618870 /nfs/dbraw/zinc/61/88/70/557618870.db2.gz BVOCDGCUHIGDHL-FYSMJZIKSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973584 557618802 /nfs/dbraw/zinc/61/88/02/557618802.db2.gz BVOCDGCUHIGDHL-VOIUYBSRSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973585 557619072 /nfs/dbraw/zinc/61/90/72/557619072.db2.gz BVOCDGCUHIGDHL-UPCLLVRISA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973606 557619062 /nfs/dbraw/zinc/61/90/62/557619062.db2.gz IKGGDVCFXLWOLC-BXKMTCNYSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973607 557619080 /nfs/dbraw/zinc/61/90/80/557619080.db2.gz IKGGDVCFXLWOLC-XDHUDOTRSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973608 557619064 /nfs/dbraw/zinc/61/90/64/557619064.db2.gz IKGGDVCFXLWOLC-MZNJEOGPSA-N 0 0 401.897 5.715 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000004973609 557619048 /nfs/dbraw/zinc/61/90/48/557619048.db2.gz IKGGDVCFXLWOLC-OSPHWJPCSA-N 0 0 401.897 5.715 50 30 HKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004973610 557619067 /nfs/dbraw/zinc/61/90/67/557619067.db2.gz DOLMFGMMEUIBDY-BCHFMIIMSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004973611 557619088 /nfs/dbraw/zinc/61/90/88/557619088.db2.gz DOLMFGMMEUIBDY-SIBVEZHUSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004973612 557619039 /nfs/dbraw/zinc/61/90/39/557619039.db2.gz DOLMFGMMEUIBDY-NIYFSFCBSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004973613 557619057 /nfs/dbraw/zinc/61/90/57/557619057.db2.gz DOLMFGMMEUIBDY-AFMDSPMNSA-N 0 0 411.505 5.460 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004973614 557619031 /nfs/dbraw/zinc/61/90/31/557619031.db2.gz QSMFUQLIZSFCEL-BCHFMIIMSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1 ZINC000004973615 557619065 /nfs/dbraw/zinc/61/90/65/557619065.db2.gz QSMFUQLIZSFCEL-SIBVEZHUSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004973616 557619082 /nfs/dbraw/zinc/61/90/82/557619082.db2.gz QSMFUQLIZSFCEL-NIYFSFCBSA-N 0 0 410.521 5.127 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1 ZINC000004973617 557619054 /nfs/dbraw/zinc/61/90/54/557619054.db2.gz QSMFUQLIZSFCEL-AFMDSPMNSA-N 0 0 410.521 5.127 50 30 HKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000004973618 559222243 /nfs/dbraw/zinc/22/22/43/559222243.db2.gz FCEOJGNHUSQXCN-BCHFMIIMSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000004973619 559222254 /nfs/dbraw/zinc/22/22/54/559222254.db2.gz FCEOJGNHUSQXCN-SIBVEZHUSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000004973620 559222234 /nfs/dbraw/zinc/22/22/34/559222234.db2.gz FCEOJGNHUSQXCN-NIYFSFCBSA-N 0 0 411.505 5.460 50 30 HKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000004973621 559222259 /nfs/dbraw/zinc/22/22/59/559222259.db2.gz FCEOJGNHUSQXCN-AFMDSPMNSA-N 0 0 411.505 5.460 50 30 HKEARN C(=NNc1nc2ccccc2s1)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000004974020 557619026 /nfs/dbraw/zinc/61/90/26/557619026.db2.gz DWKYLOHXKYZIPF-WGOQTCKBSA-N 0 0 409.514 6.475 50 30 HKEARN O=C(NC1=N/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21)NC1CCCCC1 ZINC000004977274 568430010 /nfs/dbraw/zinc/43/00/10/568430010.db2.gz YFWVMUABBJDVAI-UHFFFAOYSA-N 0 0 414.431 5.176 50 30 HKEARN CC(C)(C)c1ccc(SC[C@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000004977910 559220189 /nfs/dbraw/zinc/22/01/89/559220189.db2.gz IWSPWGAQMCGUJH-IBGZPJMESA-N 0 0 412.624 5.375 50 30 HKEARN CC(C)(C)c1ccc(SC[C@@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000004977911 559220191 /nfs/dbraw/zinc/22/01/91/559220191.db2.gz IWSPWGAQMCGUJH-LJQANCHMSA-N 0 0 412.624 5.375 50 30 HKEARN CC[S@@](=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000004977986 559220228 /nfs/dbraw/zinc/22/02/28/559220228.db2.gz BWQCYMXYDGKFHK-NDEPHWFRSA-N 0 0 406.576 5.456 50 30 HKEARN CC[S@](=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000004977987 559220179 /nfs/dbraw/zinc/22/01/79/559220179.db2.gz BWQCYMXYDGKFHK-MUUNZHRXSA-N 0 0 406.576 5.456 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccccc1 ZINC000004978029 559220178 /nfs/dbraw/zinc/22/01/78/559220178.db2.gz KTVVEHUBGSVTGU-NDEPHWFRSA-N 0 0 400.528 5.657 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@@](=O)Cc1ccccc1 ZINC000004978030 559220181 /nfs/dbraw/zinc/22/01/81/559220181.db2.gz KTVVEHUBGSVTGU-MUUNZHRXSA-N 0 0 400.528 5.657 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCCCC3=O)n2)cc1 ZINC000004978076 559220214 /nfs/dbraw/zinc/22/02/14/559220214.db2.gz QWPWOTKXAAPGME-DEOSSOPVSA-N 0 0 414.530 5.900 50 30 HKEARN CC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000004981380 559223552 /nfs/dbraw/zinc/22/35/52/559223552.db2.gz JNXIBJOJCPIUDY-ZVHZXABRSA-N 0 0 406.555 5.820 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(O)cc1 ZINC000004982749 560623292 /nfs/dbraw/zinc/62/32/92/560623292.db2.gz CQQALTJUXQHWRE-QHQVFXOCSA-N 0 0 411.552 5.166 50 30 HKEARN C=CCn1c(COc2ccccc2C)nnc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000004986340 568964623 /nfs/dbraw/zinc/96/46/23/568964623.db2.gz NMFMVTBYSBHDIF-UHFFFAOYSA-N 0 0 416.890 5.064 50 30 HKEARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)cc(C)c3O)nc2c1 ZINC000004988527 559223396 /nfs/dbraw/zinc/22/33/96/559223396.db2.gz OETAORZSQAZBFT-UHFFFAOYSA-N 0 0 401.397 5.080 50 30 HKEARN CC(N=Nc1nc(-c2ccccc2)c([N+](=O)[O-])c(-c2ccccc2)n1)c1ccccc1 ZINC000004989549 557621903 /nfs/dbraw/zinc/62/19/03/557621903.db2.gz XFYMARCMGDAPRO-WPWMEQJKSA-N 0 0 409.449 5.555 50 30 HKEARN CCCCc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000004989605 557621827 /nfs/dbraw/zinc/62/18/27/557621827.db2.gz FPLGXQJUYSNTEW-TWKHWXDSSA-N 0 0 408.549 6.784 50 30 HKEARN CCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000004989673 557621884 /nfs/dbraw/zinc/62/18/84/557621884.db2.gz KDLQGEOLAHHNDS-TURZUDJPSA-N 0 0 424.548 6.620 50 30 HKEARN CCCCc1ccc(C(C)N=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000004989695 557621797 /nfs/dbraw/zinc/62/17/97/557621797.db2.gz ASZCICMHMACLLR-ZTKZIYFRSA-N 0 0 421.548 6.384 50 30 HKEARN CCCCCc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000004989831 557621862 /nfs/dbraw/zinc/62/18/62/557621862.db2.gz GJBQKKLUIAHSEC-NJZRLIGZSA-N 0 0 422.576 7.174 50 30 HKEARN Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000004989986 557621937 /nfs/dbraw/zinc/62/19/37/557621937.db2.gz CZMLQYVWFRVUQW-WPWMEQJKSA-N 0 0 417.472 5.510 50 30 HKEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3c(O)ccc4ccccc43)n2)cc1 ZINC000004990020 557621759 /nfs/dbraw/zinc/62/17/59/557621759.db2.gz RFLZFGHGOZRPJI-JVWAILMASA-N 0 0 404.473 5.910 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004993291 560882875 /nfs/dbraw/zinc/88/28/75/560882875.db2.gz SUGMSQBVEAAAQH-DEOSSOPVSA-N 0 0 414.549 5.546 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004993292 560882896 /nfs/dbraw/zinc/88/28/96/560882896.db2.gz SUGMSQBVEAAAQH-XMMPIXPASA-N 0 0 414.549 5.546 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000004993295 559225358 /nfs/dbraw/zinc/22/53/58/559225358.db2.gz SFZWMJQKPQCPSX-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004993304 559225384 /nfs/dbraw/zinc/22/53/84/559225384.db2.gz JTOGCFLZVCLCQK-DEOSSOPVSA-N 0 0 414.549 5.546 50 30 HKEARN Cc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000004993305 559225356 /nfs/dbraw/zinc/22/53/56/559225356.db2.gz JTOGCFLZVCLCQK-XMMPIXPASA-N 0 0 414.549 5.546 50 30 HKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004993980 557622524 /nfs/dbraw/zinc/62/25/24/557622524.db2.gz QHCUJCHUUCOJFG-DEOSSOPVSA-N 0 0 416.521 5.248 50 30 HKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004993981 557622474 /nfs/dbraw/zinc/62/24/74/557622474.db2.gz QHCUJCHUUCOJFG-XMMPIXPASA-N 0 0 416.521 5.248 50 30 HKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)c(C)c1 ZINC000004996111 559225948 /nfs/dbraw/zinc/22/59/48/559225948.db2.gz NQMQROKQCFJAOW-ULJHMMPZSA-N 0 0 411.328 5.529 50 30 HKEARN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000004996244 557622653 /nfs/dbraw/zinc/62/26/53/557622653.db2.gz AGILLPDBMIDEPM-LPYMAVHISA-N 0 0 404.451 5.230 50 30 HKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004997513 557622915 /nfs/dbraw/zinc/62/29/15/557622915.db2.gz ZFPQUUQCCQECEG-QFIPXVFZSA-N 0 0 404.535 5.015 50 30 HKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004997514 557622931 /nfs/dbraw/zinc/62/29/31/557622931.db2.gz ZFPQUUQCCQECEG-JOCHJYFZSA-N 0 0 404.535 5.015 50 30 HKEARN O=S(=O)(N=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1 ZINC000004998556 557623167 /nfs/dbraw/zinc/62/31/67/557623167.db2.gz KGDHBSLYFFLVJQ-UHFFFAOYSA-N 0 0 412.514 5.601 50 30 HKEARN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(Br)cc1 ZINC000005003831 559226759 /nfs/dbraw/zinc/22/67/59/559226759.db2.gz RCCKLLUIXSBSFC-SSDVNMTOSA-N 0 0 401.333 5.169 50 30 HKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1c2ccccc2cc2ccccc21 ZINC000005004901 559226874 /nfs/dbraw/zinc/22/68/74/559226874.db2.gz QVKIYPSAGUFRAQ-HYARGMPZSA-N 0 0 414.917 6.538 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000005007384 291295130 /nfs/dbraw/zinc/29/51/30/291295130.db2.gz YHTHSMNIYZFRTF-RIYZIHGNSA-N 0 0 401.462 5.129 50 30 biogenic,in-vitro HKEARN CC(C)c1ccc(/C=N\N=c2\scc(-c3ccc(Br)cc3)n2C)cc1 ZINC000005009659 559227853 /nfs/dbraw/zinc/22/78/53/559227853.db2.gz DRKRTBRLYKGOQD-LLHKDXIHSA-N 0 0 414.372 5.574 50 30 HKEARN Cc1nnc(N=NCc2ccc(C(C)C)cc2)nc1N=NCc1ccc(C(C)C)cc1 ZINC000005010522 559228054 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/nfs/dbraw/zinc/22/92/15/559229215.db2.gz XCFSKRXWZRJBEB-QHCPKHFHSA-N 0 0 401.510 5.591 50 30 HKEARN Cc1ccc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000005021080 559229231 /nfs/dbraw/zinc/22/92/31/559229231.db2.gz XCFSKRXWZRJBEB-HSZRJFAPSA-N 0 0 401.510 5.591 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S ZINC000005022995 568964792 /nfs/dbraw/zinc/96/47/92/568964792.db2.gz VXIUHRNVZQBUGQ-SFQUDFHCSA-N 0 0 403.981 5.878 50 30 HKEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000005023029 559230584 /nfs/dbraw/zinc/23/05/84/559230584.db2.gz JWUXGJXBCUJQMK-UQQQWYQISA-N 0 0 401.322 6.019 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000005023142 557627061 /nfs/dbraw/zinc/62/70/61/557627061.db2.gz TYFSBTKSXDXEEE-OFVILXPXSA-N 0 0 415.533 5.308 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000005023143 557627071 /nfs/dbraw/zinc/62/70/71/557627071.db2.gz TYFSBTKSXDXEEE-SQJMNOBHSA-N 0 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ZINC000005024383 559229865 /nfs/dbraw/zinc/22/98/65/559229865.db2.gz UOFBIYNZYDFCRJ-CVKSISIWSA-N 0 0 416.912 6.183 50 30 HKEARN Fc1ccccc1-c1nc2ccccc2c(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000005024597 559230012 /nfs/dbraw/zinc/23/00/12/559230012.db2.gz LIPJHOCMIFMYDN-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000005024812 557627144 /nfs/dbraw/zinc/62/71/44/557627144.db2.gz IEWGCQUNBPRDOH-LMKMVOKYSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000005024813 557627174 /nfs/dbraw/zinc/62/71/74/557627174.db2.gz IEWGCQUNBPRDOH-CPJLOUKISA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000005024814 557627213 /nfs/dbraw/zinc/62/72/13/557627213.db2.gz IEWGCQUNBPRDOH-IVCQMTBJSA-N 0 0 418.899 6.459 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000005024815 557627095 /nfs/dbraw/zinc/62/70/95/557627095.db2.gz 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5.525 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccc(Sc3cccc4ccccc43)o2)SC1=S ZINC000005025785 559230161 /nfs/dbraw/zinc/23/01/61/559230161.db2.gz WEYAVWWJRGIJJW-AQTBWJFISA-N 0 0 409.557 5.971 50 30 HKEARN CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@H](C[C@@H](C)SCC)C1 ZINC000005026709 559230378 /nfs/dbraw/zinc/23/03/78/559230378.db2.gz BQKRKHUYPYBPNE-FTRJLHQBSA-N 0 0 410.668 6.114 50 30 HKEARN CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@@H](C[C@@H](C)SCC)C1 ZINC000005026710 559230379 /nfs/dbraw/zinc/23/03/79/559230379.db2.gz BQKRKHUYPYBPNE-ARCCKXGSSA-N 0 0 410.668 6.114 50 30 HKEARN CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@H](C[C@H](C)SCC)C1 ZINC000005026711 559230353 /nfs/dbraw/zinc/23/03/53/559230353.db2.gz BQKRKHUYPYBPNE-LPYSEFIKSA-N 0 0 410.668 6.114 50 30 HKEARN CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@@H](C[C@H](C)SCC)C1 ZINC000005026712 559230339 /nfs/dbraw/zinc/23/03/39/559230339.db2.gz BQKRKHUYPYBPNE-JCABBVPTSA-N 0 0 410.668 6.114 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S ZINC000005028555 559230522 /nfs/dbraw/zinc/23/05/22/559230522.db2.gz VKDGYROJUIOZEW-GDNBJRDFSA-N 0 0 407.969 5.613 50 30 HKEARN Oc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c(O)c1 ZINC000005028769 557627825 /nfs/dbraw/zinc/62/78/25/557627825.db2.gz MNIPSSFVRIVKJK-AFUMVMLFSA-N 0 0 416.868 5.321 50 30 HKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccccc1O ZINC000005028804 557627788 /nfs/dbraw/zinc/62/77/88/557627788.db2.gz AOTQDPIYEBDKQU-LQKURTRISA-N 0 0 414.896 6.006 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000005028874 557627847 /nfs/dbraw/zinc/62/78/47/557627847.db2.gz KRZIHMADPBIKEF-OGLMXYFKSA-N 0 0 410.477 5.361 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000005028920 559231126 /nfs/dbraw/zinc/23/11/26/559231126.db2.gz LMBGJGOWUFQADK-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000005028924 559231135 /nfs/dbraw/zinc/23/11/35/559231135.db2.gz LMBGJGOWUFQADK-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN COc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000005029224 557627764 /nfs/dbraw/zinc/62/77/64/557627764.db2.gz RCYFGVKWZZVRLZ-WGOQTCKBSA-N 0 0 414.896 5.919 50 30 HKEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000005029527 557627970 /nfs/dbraw/zinc/62/79/70/557627970.db2.gz QRFGIIYJZKZUGJ-MFKUBSTISA-N 0 0 400.869 5.616 50 30 HKEARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1c(C)nn2c3ccccc3n(C)c12 ZINC000005031576 559231915 /nfs/dbraw/zinc/23/19/15/559231915.db2.gz UBMHXDUKEKESTB-CMDGGOBGSA-N 0 0 414.292 5.346 50 30 HKEARN CC(C)Oc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3F)n2)cc1 ZINC000005033109 559231584 /nfs/dbraw/zinc/23/15/84/559231584.db2.gz ASEMXCAEDBLYOP-CVKSISIWSA-N 0 0 400.457 5.669 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O ZINC000005033130 568964803 /nfs/dbraw/zinc/96/48/03/568964803.db2.gz UCVJEMHIZUXJFW-UHFFFAOYSA-N 0 0 411.379 5.860 50 30 HKEARN COc1cc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000005033906 559231765 /nfs/dbraw/zinc/23/17/65/559231765.db2.gz XOWDWMIWQXTRSL-AQTBWJFISA-N 0 0 415.445 5.277 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3c(C)cccc3C)c2)cc1 ZINC000005034480 557628430 /nfs/dbraw/zinc/62/84/30/557628430.db2.gz UUKJXPKNRVONSD-RIYZIHGNSA-N 0 0 402.490 5.796 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005045054 569071617 /nfs/dbraw/zinc/07/16/17/569071617.db2.gz SHHCURQDZYVNQD-FQEVSTJZSA-N 0 0 410.514 5.130 50 30 HKEARN Clc1ccc(OCCCn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000005046875 571310479 /nfs/dbraw/zinc/31/04/79/571310479.db2.gz YWWMWGYCXRUUJP-HZHRSRAPSA-N 0 0 410.930 5.666 50 30 HKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O ZINC000005046966 568964808 /nfs/dbraw/zinc/96/48/08/568964808.db2.gz HYFAIRGWDWHOPX-UHFFFAOYSA-N 0 0 410.486 5.572 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000005047356 568964846 /nfs/dbraw/zinc/96/48/46/568964846.db2.gz AAKQYVRHEUQOJK-UHFFFAOYSA-N 0 0 411.379 5.860 50 30 HKEARN C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC ZINC000005049906 568964825 /nfs/dbraw/zinc/96/48/25/568964825.db2.gz BGAFVCMOLWPKDA-QHCPKHFHSA-N 0 0 413.477 5.110 50 30 HKEARN C=CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC ZINC000005049907 568964788 /nfs/dbraw/zinc/96/47/88/568964788.db2.gz BGAFVCMOLWPKDA-HSZRJFAPSA-N 0 0 413.477 5.110 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3F)nc3ccccc32)cc1OC ZINC000005051378 559237147 /nfs/dbraw/zinc/23/71/47/559237147.db2.gz JQIHYTSTKYSKFD-MBTHVWNTSA-N 0 0 416.456 5.289 50 30 HKEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000005051938 559237158 /nfs/dbraw/zinc/23/71/58/559237158.db2.gz BNIDZXQJBOWZRK-DEOSSOPVSA-N 0 0 403.481 6.230 50 30 HKEARN CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000005051955 559237153 /nfs/dbraw/zinc/23/71/53/559237153.db2.gz XWRIRNOWANNYKN-HXUWFJFHSA-N 0 0 401.531 5.921 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc(C)cc4)c3c2C1 ZINC000005054644 559237558 /nfs/dbraw/zinc/23/75/58/559237558.db2.gz ZLRKEESVQBLHOE-ZQZJVFIWSA-N 0 0 406.599 6.377 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc(C)cc4)c3c2C1 ZINC000005054646 559237515 /nfs/dbraw/zinc/23/75/15/559237515.db2.gz ZLRKEESVQBLHOE-GEGDGZKASA-N 0 0 406.599 6.377 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4)c3c2C1 ZINC000005054673 557631518 /nfs/dbraw/zinc/63/15/18/557631518.db2.gz WWNJLRCVXBUHSD-ZXGJNYTGSA-N 0 0 412.990 6.332 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4)c3c2C1 ZINC000005054674 557631529 /nfs/dbraw/zinc/63/15/29/557631529.db2.gz WWNJLRCVXBUHSD-PZIWGWIQSA-N 0 0 412.990 6.332 50 30 HKEARN C#CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000005055163 559237550 /nfs/dbraw/zinc/23/75/50/559237550.db2.gz SUSKTAJBXXLAPU-UHFFFAOYSA-N 0 0 412.558 5.301 50 30 HKEARN O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000005061233 557632841 /nfs/dbraw/zinc/63/28/41/557632841.db2.gz NLZQOHRDWSSSBQ-OQJHCHDDSA-N 0 0 401.893 6.656 50 30 HKEARN O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000005061236 557632815 /nfs/dbraw/zinc/63/28/15/557632815.db2.gz NLZQOHRDWSSSBQ-WSCMRUAOSA-N 0 0 401.893 6.656 50 30 HKEARN O=C(/C=C/c1ccccc1F)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000005061555 557632811 /nfs/dbraw/zinc/63/28/11/557632811.db2.gz CWCPAIJTGFKLML-JLHYYAGUSA-N 0 0 403.840 5.884 50 30 HKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccccc2)C1=O ZINC000005061615 557632806 /nfs/dbraw/zinc/63/28/06/557632806.db2.gz HROKAEJVPCLXHR-HKWRFOASSA-N 0 0 401.487 5.383 50 30 HKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000005062176 557633029 /nfs/dbraw/zinc/63/30/29/557633029.db2.gz FHPKPJFVIFCZFU-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000005062177 557633064 /nfs/dbraw/zinc/63/30/64/557633064.db2.gz FHPKPJFVIFCZFU-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 ZINC000005062932 559239606 /nfs/dbraw/zinc/23/96/06/559239606.db2.gz PHLGJEJLJSMJFO-ZVBGSRNCSA-N 0 0 408.310 5.580 50 30 HKEARN COc1ccc(/C=N/Cc2ccccc2)cc1COc1ccc(Cl)cc1Cl ZINC000005063870 557633144 /nfs/dbraw/zinc/63/31/44/557633144.db2.gz WCPAVRYUIVMTHA-AFUMVMLFSA-N 0 0 400.305 6.200 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccc(O)c4)c3c2C1 ZINC000005065852 559239848 /nfs/dbraw/zinc/23/98/48/559239848.db2.gz KETZZCMRQKCPNM-JAYSCUBMSA-N 0 0 408.571 5.774 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4cccc(O)c4)c3c2C1 ZINC000005065854 559239852 /nfs/dbraw/zinc/23/98/52/559239852.db2.gz KETZZCMRQKCPNM-IMVGLAPISA-N 0 0 408.571 5.774 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC=C(C)Cc4ccccc4)c3c2C1 ZINC000005066956 557633891 /nfs/dbraw/zinc/63/38/91/557633891.db2.gz VPSXTLJIGYFAFD-KFAJYNJXSA-N 0 0 418.610 6.734 50 30 HKEARN C=C(C)CSc1nnc2c3sc4nc(CCC)c5c(c4c3ncn12)CCCC5 ZINC000005067187 559240101 /nfs/dbraw/zinc/24/01/01/559240101.db2.gz OLCPBNZMKLAMJW-UHFFFAOYSA-N 0 0 409.584 5.387 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC ZINC000005067399 559240182 /nfs/dbraw/zinc/24/01/82/559240182.db2.gz OHQGDXAHKWHIQG-ZVBGSRNCSA-N 0 0 408.310 5.580 50 30 HKEARN CCOc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000005068028 559240265 /nfs/dbraw/zinc/24/02/65/559240265.db2.gz KHRPSENQHFMJAI-MFKUBSTISA-N 0 0 402.885 5.795 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000005068458 557633906 /nfs/dbraw/zinc/63/39/06/557633906.db2.gz QHHGIPMGIDRIEV-HURLIOHXSA-N 0 0 423.542 5.587 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000005068461 557633809 /nfs/dbraw/zinc/63/38/09/557633809.db2.gz QHHGIPMGIDRIEV-FCUAXUHVSA-N 0 0 423.542 5.587 50 30 HKEARN CC(C)c1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000005068556 559240078 /nfs/dbraw/zinc/24/00/78/559240078.db2.gz QFOIACZXBNZTSI-CVKSISIWSA-N 0 0 400.913 6.520 50 30 HKEARN Fc1cccc(Cl)c1CN=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000005069566 559240552 /nfs/dbraw/zinc/24/05/52/559240552.db2.gz LQOBTDSEWOHTQJ-BRJLIKDPSA-N 0 0 411.267 6.189 50 30 HKEARN Clc1cccc(Cl)c1Cn1cccc1C=NN=c1[nH]c2ccccc2s1 ZINC000005069834 571310540 /nfs/dbraw/zinc/31/05/40/571310540.db2.gz DJRDLDBONHLBAR-SSDVNMTOSA-N 0 0 401.322 5.899 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O ZINC000005074071 557634182 /nfs/dbraw/zinc/63/41/82/557634182.db2.gz UMTNXTVWKNRDGH-CYVLTUHYSA-N 0 0 407.535 5.528 50 30 HKEARN CC(C)O/C(=N/C(=O)c1cccs1)N(CCc1ccccc1)Cc1ccccc1 ZINC000005074292 559240790 /nfs/dbraw/zinc/24/07/90/559240790.db2.gz PHLYOHNQIIANQJ-OCOZRVBESA-N 0 0 406.551 5.414 50 30 HKEARN CCCc1ccc(OCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000005077425 559240667 /nfs/dbraw/zinc/24/06/67/559240667.db2.gz ZMQIYAOYWOKZTM-UHFFFAOYSA-N 0 0 416.546 5.471 50 30 HKEARN Cc1sc2nc(SCc3cccc(C#N)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000005077607 559240648 /nfs/dbraw/zinc/24/06/48/559240648.db2.gz QHROVRSULBDSOI-UHFFFAOYSA-N 0 0 403.532 5.228 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc(Cl)c1)CCCC3 ZINC000005081608 568964857 /nfs/dbraw/zinc/96/48/57/568964857.db2.gz PGQHALWDVFPETG-UHFFFAOYSA-N 0 0 402.972 5.469 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005090726 557634615 /nfs/dbraw/zinc/63/46/15/557634615.db2.gz GDWRAFSOMLVODU-OAQYLSRUSA-N 0 0 401.337 6.524 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005090727 557634580 /nfs/dbraw/zinc/63/45/80/557634580.db2.gz GDWRAFSOMLVODU-NRFANRHFSA-N 0 0 401.337 6.524 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000005091004 560736812 /nfs/dbraw/zinc/73/68/12/560736812.db2.gz XVLPVNXBRIGCFV-PXLXIMEGSA-N 0 0 417.555 5.806 50 30 HKEARN C=CCO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccc(OC)c(OC)c2)c1C ZINC000005091129 559243779 /nfs/dbraw/zinc/24/37/79/559243779.db2.gz YZUFKFBVMCCDCI-QQXSKIMKSA-N 0 0 408.473 5.536 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000005091615 559243866 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XJJXKUBLINQPCE-CJAUYULYSA-N 0 0 411.461 5.574 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005092278 557634802 /nfs/dbraw/zinc/63/48/02/557634802.db2.gz XJJXKUBLINQPCE-AVRWGWEMSA-N 0 0 411.461 5.574 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005092281 557634968 /nfs/dbraw/zinc/63/49/68/557634968.db2.gz XJJXKUBLINQPCE-IQGLISFBSA-N 0 0 411.461 5.574 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Br)ccc1O ZINC000005092282 557634933 /nfs/dbraw/zinc/63/49/33/557634933.db2.gz FYUBFNFERQTIQD-FQEVSTJZSA-N 0 0 413.315 5.377 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Br)ccc1O ZINC000005092283 557635014 /nfs/dbraw/zinc/63/50/14/557635014.db2.gz FYUBFNFERQTIQD-HXUWFJFHSA-N 0 0 413.315 5.377 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000005092371 557634900 /nfs/dbraw/zinc/63/49/00/557634900.db2.gz HKIHPKOBKHKTME-QHCPKHFHSA-N 0 0 422.956 6.139 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000005092374 557635003 /nfs/dbraw/zinc/63/50/03/557635003.db2.gz HKIHPKOBKHKTME-HSZRJFAPSA-N 0 0 422.956 6.139 50 30 HKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000005092404 557635018 /nfs/dbraw/zinc/63/50/18/557635018.db2.gz OQLMZEAGOISKJR-DEOSSOPVSA-N 0 0 418.537 5.494 50 30 HKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000005092407 557634939 /nfs/dbraw/zinc/63/49/39/557634939.db2.gz OQLMZEAGOISKJR-XMMPIXPASA-N 0 0 418.537 5.494 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O ZINC000005092520 559244026 /nfs/dbraw/zinc/24/40/26/559244026.db2.gz LJGVTRXEFQGBTI-DJJQPEHWSA-N 0 0 413.974 5.673 50 30 HKEARN CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000005092539 559244043 /nfs/dbraw/zinc/24/40/43/559244043.db2.gz AJDWCAPTDNGUFZ-BUMUASTJSA-N 0 0 415.562 5.701 50 30 HKEARN CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000005092542 559244007 /nfs/dbraw/zinc/24/40/07/559244007.db2.gz AJDWCAPTDNGUFZ-BQHJCBTJSA-N 0 0 415.562 5.701 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccco1 ZINC000005092557 557634990 /nfs/dbraw/zinc/63/49/90/557634990.db2.gz CCSRORRSMBJWLX-DEOSSOPVSA-N 0 0 412.489 5.733 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccco1 ZINC000005092559 557634924 /nfs/dbraw/zinc/63/49/24/557634924.db2.gz CCSRORRSMBJWLX-XMMPIXPASA-N 0 0 412.489 5.733 50 30 HKEARN CC[C@@H](C)c1ccc(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000005092733 559244085 /nfs/dbraw/zinc/24/40/85/559244085.db2.gz QGROXQTVNRVRMD-UPMNJHNBSA-N 0 0 418.566 6.136 50 30 HKEARN O=C(/C=C(C(=C/C(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1 ZINC000005092939 559244126 /nfs/dbraw/zinc/24/41/26/559244126.db2.gz ROYPBZQYHFGGFP-GPAWKIAZSA-N 0 0 414.504 6.919 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000005093637 559244299 /nfs/dbraw/zinc/24/42/99/559244299.db2.gz HUMGFHGTBBTWAL-GPEOYYQRSA-N 0 0 419.525 5.613 50 30 HKEARN CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000005093640 559244296 /nfs/dbraw/zinc/24/42/96/559244296.db2.gz HUMGFHGTBBTWAL-AXLPEMCNSA-N 0 0 419.525 5.613 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(NN=C4c5ccccc5NC4=O)c3c2C1 ZINC000005093834 557635176 /nfs/dbraw/zinc/63/51/76/557635176.db2.gz FWYYPEBWJNUCQT-CYBMUJFWSA-N 0 0 419.554 5.001 50 30 HKEARN CC(C)(C)c1ccc(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000005093844 571305248 /nfs/dbraw/zinc/30/52/48/571305248.db2.gz YESWZQGEJPPZPW-KOEQRZSOSA-N 0 0 418.566 5.920 50 30 HKEARN CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000005093917 559244457 /nfs/dbraw/zinc/24/44/57/559244457.db2.gz HCWNLRXQCUAPJV-WHEZCBNMSA-N 0 0 401.535 5.474 50 30 HKEARN Clc1ccc(Cn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1Cl ZINC000005094120 571310486 /nfs/dbraw/zinc/31/04/86/571310486.db2.gz IDJJJJSDNUEZHC-SSDVNMTOSA-N 0 0 401.322 5.899 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005095238 557635412 /nfs/dbraw/zinc/63/54/12/557635412.db2.gz DCNBWAVBGSLSOD-NRFANRHFSA-N 0 0 410.514 5.130 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005095239 557635386 /nfs/dbraw/zinc/63/53/86/557635386.db2.gz DCNBWAVBGSLSOD-OAQYLSRUSA-N 0 0 410.514 5.130 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005095342 557635309 /nfs/dbraw/zinc/63/53/09/557635309.db2.gz SXWNDVMPYULZFG-QHCPKHFHSA-N 0 0 423.553 5.262 50 30 HKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000005100921 559245371 /nfs/dbraw/zinc/24/53/71/559245371.db2.gz PWEBKOBRFDZTTM-FTTRISJGSA-N 0 0 423.582 5.336 50 30 HKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000005100922 559245386 /nfs/dbraw/zinc/24/53/86/559245386.db2.gz PWEBKOBRFDZTTM-SNPIYUIBSA-N 0 0 423.582 5.336 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccccn1 ZINC000005101016 559245398 /nfs/dbraw/zinc/24/53/98/559245398.db2.gz SGEKQXSFARQTLY-VWLOTQADSA-N 0 0 423.516 5.535 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccccn1 ZINC000005101018 559245381 /nfs/dbraw/zinc/24/53/81/559245381.db2.gz SGEKQXSFARQTLY-RUZDIDTESA-N 0 0 423.516 5.535 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccncc1 ZINC000005101027 557635527 /nfs/dbraw/zinc/63/55/27/557635527.db2.gz YEZPHWGXKZRIEF-VWLOTQADSA-N 0 0 423.516 5.535 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccncc1 ZINC000005101029 557635547 /nfs/dbraw/zinc/63/55/47/557635547.db2.gz YEZPHWGXKZRIEF-RUZDIDTESA-N 0 0 423.516 5.535 50 30 HKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000005101032 557635536 /nfs/dbraw/zinc/63/55/36/557635536.db2.gz VNVKTVWDWJWEHR-QHCPKHFHSA-N 0 0 400.503 5.569 50 30 HKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000005101033 557635549 /nfs/dbraw/zinc/63/55/49/557635549.db2.gz VNVKTVWDWJWEHR-HSZRJFAPSA-N 0 0 400.503 5.569 50 30 HKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(SC)cc1 ZINC000005101055 557635568 /nfs/dbraw/zinc/63/55/68/557635568.db2.gz WFIQWHSQCVOJOV-DEOSSOPVSA-N 0 0 406.551 5.716 50 30 HKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(SC)cc1 ZINC000005101056 557635544 /nfs/dbraw/zinc/63/55/44/557635544.db2.gz WFIQWHSQCVOJOV-XMMPIXPASA-N 0 0 406.551 5.716 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)SC1=S ZINC000005102360 568964784 /nfs/dbraw/zinc/96/47/84/568964784.db2.gz SQOGLRYFGXYDCK-BKUYFWCQSA-N 0 0 404.560 5.385 50 30 HKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000005102777 557636379 /nfs/dbraw/zinc/63/63/79/557636379.db2.gz SRCWWGJRQXEZIM-VWLOTQADSA-N 0 0 412.464 5.646 50 30 HKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000005102780 557636366 /nfs/dbraw/zinc/63/63/66/557636366.db2.gz SRCWWGJRQXEZIM-RUZDIDTESA-N 0 0 412.464 5.646 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000005102854 557636299 /nfs/dbraw/zinc/63/62/99/557636299.db2.gz DRAXHFGDAHGOHY-DEOSSOPVSA-N 0 0 408.929 6.037 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000005102855 557636355 /nfs/dbraw/zinc/63/63/55/557636355.db2.gz DRAXHFGDAHGOHY-XMMPIXPASA-N 0 0 408.929 6.037 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl ZINC000005102888 557636339 /nfs/dbraw/zinc/63/63/39/557636339.db2.gz XFENWHXHGCJVDY-NRFANRHFSA-N 0 0 401.293 5.520 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl ZINC000005102889 557636293 /nfs/dbraw/zinc/63/62/93/557636293.db2.gz XFENWHXHGCJVDY-OAQYLSRUSA-N 0 0 401.293 5.520 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000005103007 557636654 /nfs/dbraw/zinc/63/66/54/557636654.db2.gz UICIKYGOXPTRQI-QFIPXVFZSA-N 0 0 415.320 5.910 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000005103010 557636617 /nfs/dbraw/zinc/63/66/17/557636617.db2.gz UICIKYGOXPTRQI-JOCHJYFZSA-N 0 0 415.320 5.910 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc43)c2)SC1=S ZINC000005103043 568964799 /nfs/dbraw/zinc/96/47/99/568964799.db2.gz MNNMNMLRWOXTTA-PXLXIMEGSA-N 0 0 417.555 5.806 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl ZINC000005103063 557636622 /nfs/dbraw/zinc/63/66/22/557636622.db2.gz QOHIRNNSYLQHJM-QFIPXVFZSA-N 0 0 415.320 5.910 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl ZINC000005103064 557636588 /nfs/dbraw/zinc/63/65/88/557636588.db2.gz QOHIRNNSYLQHJM-JOCHJYFZSA-N 0 0 415.320 5.910 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000005103070 557636575 /nfs/dbraw/zinc/63/65/75/557636575.db2.gz BZBROECMRAXRIT-VWLOTQADSA-N 0 0 404.510 5.392 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000005103072 557636610 /nfs/dbraw/zinc/63/66/10/557636610.db2.gz BZBROECMRAXRIT-RUZDIDTESA-N 0 0 404.510 5.392 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005103089 557636643 /nfs/dbraw/zinc/63/66/43/557636643.db2.gz WQPFCOGITHCKJP-DEOSSOPVSA-N 0 0 419.481 5.292 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005103091 557636667 /nfs/dbraw/zinc/63/66/67/557636667.db2.gz WQPFCOGITHCKJP-XMMPIXPASA-N 0 0 419.481 5.292 50 30 HKEARN C=CCSc1nc(SC)nc2c3c(nc(CC(C)C)c4c3CCC4)sc21 ZINC000005111235 559247035 /nfs/dbraw/zinc/24/70/35/559247035.db2.gz OSOCGYDMYHSJPH-UHFFFAOYSA-N 0 0 401.626 5.927 50 30 HKEARN COc1ccc(-c2nc3c4ccccc4ccn3c2/C=C/C(=O)c2cccs2)cc1 ZINC000005112213 559247182 /nfs/dbraw/zinc/24/71/82/559247182.db2.gz ZUFVYMDKUKYJRA-OUKQBFOZSA-N 0 0 410.498 6.121 50 30 HKEARN Clc1ccc(Cn2cccc2C=NN=c2[nH]c3ccccc3s2)c(Cl)c1 ZINC000005118929 571310497 /nfs/dbraw/zinc/31/04/97/571310497.db2.gz JSVSMXXKJSLKJD-SSDVNMTOSA-N 0 0 401.322 5.899 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccc(F)c(Oc3ccccc3)c1)Nc1ccccc1N2 ZINC000005119874 557637150 /nfs/dbraw/zinc/63/71/50/557637150.db2.gz YBPWXZDVHWFALK-RUZDIDTESA-N 0 0 400.453 6.204 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccc(F)c(Oc3ccccc3)c1)Nc1ccccc1N2 ZINC000005119876 557637201 /nfs/dbraw/zinc/63/72/01/557637201.db2.gz YBPWXZDVHWFALK-VWLOTQADSA-N 0 0 400.453 6.204 50 30 HKEARN COc1cccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc(SC)cc3)c2)c1 ZINC000005123759 557637358 /nfs/dbraw/zinc/63/73/58/557637358.db2.gz IFDOXZMVRYDYPK-SDNWHVSQSA-N 0 0 403.503 5.566 50 30 HKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C12CCC(C(C)(C)C)CC2 ZINC000005124937 559248197 /nfs/dbraw/zinc/24/81/97/559248197.db2.gz AIBBWZHTMRRYCI-UHFFFAOYSA-N 0 0 419.638 6.703 50 30 HKEARN Cc1ccc(NC2=NC(=S)N(c3ccccc3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000005124955 559248193 /nfs/dbraw/zinc/24/81/93/559248193.db2.gz ZRYKOQBLXIYUEY-UHFFFAOYSA-N 0 0 405.611 6.395 50 30 HKEARN Cc1ccc(NC2=NC(=S)N(c3cccc(O)c3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000005124958 559248172 /nfs/dbraw/zinc/24/81/72/559248172.db2.gz OCRTUQXIZDHMJE-UHFFFAOYSA-N 0 0 421.610 6.100 50 30 HKEARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)o1 ZINC000005125283 559248208 /nfs/dbraw/zinc/24/82/08/559248208.db2.gz IWKYJIIXJYWJJU-UNOMPAQXSA-N 0 0 405.435 5.055 50 30 HKEARN COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc(Cl)ccc2O)ccc1O ZINC000005125930 559248282 /nfs/dbraw/zinc/24/82/82/559248282.db2.gz PXBMEVQTWPOWEX-WYMPLXKRSA-N 0 0 407.857 5.134 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000005125982 559248268 /nfs/dbraw/zinc/24/82/68/559248268.db2.gz JPOLKQCWAATQLF-DJKHGBOQSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000005125983 559248243 /nfs/dbraw/zinc/24/82/43/559248243.db2.gz JPOLKQCWAATQLF-XYSUMVETSA-N 0 0 413.448 5.317 50 30 HKEARN CCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000005127683 559248793 /nfs/dbraw/zinc/24/87/93/559248793.db2.gz GTMNDYNTJKBRIV-UHFFFAOYSA-N 0 0 402.563 6.968 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(OCc3ccccc3Cl)cc2)c1C#N ZINC000005128097 559248904 /nfs/dbraw/zinc/24/89/04/559248904.db2.gz WMDQEGFDOIWRNS-LGJNPRDNSA-N 0 0 420.900 5.087 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3cc(Cl)ccc3Cl)o2)c1C#N ZINC000005128104 559248874 /nfs/dbraw/zinc/24/88/74/559248874.db2.gz LOMCGGMCWLVEET-YSURURNPSA-N 0 0 415.280 5.421 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3cccc(Cl)c3Cl)o2)c1C#N ZINC000005128107 559248928 /nfs/dbraw/zinc/24/89/28/559248928.db2.gz IAKJOOVQSRBKQU-YSURURNPSA-N 0 0 415.280 5.421 50 30 HKEARN CSC(=S)N/N=C/c1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000005128683 559248999 /nfs/dbraw/zinc/24/89/99/559248999.db2.gz DXMXGHDGLWRPDP-LFVJCYFKSA-N 0 0 401.560 5.869 50 30 HKEARN Cc1ccccc1C(=NS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1 ZINC000005128818 559249007 /nfs/dbraw/zinc/24/90/07/559249007.db2.gz LUADKGMVNYSLNX-UHFFFAOYSA-N 0 0 400.503 5.396 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000005128848 559249021 /nfs/dbraw/zinc/24/90/21/559249021.db2.gz ZFAKWRHFNMUTSI-PBBNMVCDSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000005128851 559249024 /nfs/dbraw/zinc/24/90/24/559249024.db2.gz ZFAKWRHFNMUTSI-LGGPFLRQSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000005128854 559249151 /nfs/dbraw/zinc/24/91/51/559249151.db2.gz ZFAKWRHFNMUTSI-ONOMSOESSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000005128857 559249148 /nfs/dbraw/zinc/24/91/48/559249148.db2.gz ZFAKWRHFNMUTSI-KCWXNJEJSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccc3ccccc3c12 ZINC000005128858 559249123 /nfs/dbraw/zinc/24/91/23/559249123.db2.gz GYHHGTJDAMEJME-OLILMLBXSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1F)Nc1ccc3ccccc3c12 ZINC000005128860 559249121 /nfs/dbraw/zinc/24/91/21/559249121.db2.gz GYHHGTJDAMEJME-WRONEBCDSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccc3ccccc3c12 ZINC000005128862 559249145 /nfs/dbraw/zinc/24/91/45/559249145.db2.gz GYHHGTJDAMEJME-ACSYHNTCSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1F)Nc1ccc3ccccc3c12 ZINC000005128865 559249154 /nfs/dbraw/zinc/24/91/54/559249154.db2.gz GYHHGTJDAMEJME-AFJIDDCJSA-N 0 0 419.499 7.046 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000005128885 559249131 /nfs/dbraw/zinc/24/91/31/559249131.db2.gz DCPBRJBVGJNBQP-PBBNMVCDSA-N 0 0 417.508 6.613 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000005128888 559249137 /nfs/dbraw/zinc/24/91/37/559249137.db2.gz DCPBRJBVGJNBQP-LGGPFLRQSA-N 0 0 417.508 6.613 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000005128890 559249141 /nfs/dbraw/zinc/24/91/41/559249141.db2.gz DCPBRJBVGJNBQP-ONOMSOESSA-N 0 0 417.508 6.613 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000005128893 559249147 /nfs/dbraw/zinc/24/91/47/559249147.db2.gz DCPBRJBVGJNBQP-KCWXNJEJSA-N 0 0 417.508 6.613 50 30 HKEARN CC(C)c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000005129618 559249234 /nfs/dbraw/zinc/24/92/34/559249234.db2.gz ZGMHBSAJCLXCSO-YZSQISJMSA-N 0 0 423.524 5.928 50 30 HKEARN C[C@H](/C=N/n1cnc2c3cc(F)ccc3[nH]c2c1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000005137489 559250566 /nfs/dbraw/zinc/25/05/66/559250566.db2.gz RNZTWXQRUKLPNK-OWAQKBPCSA-N 0 0 404.489 5.027 50 30 HKEARN C[C@@H](/C=N/n1cnc2c3cc(F)ccc3[nH]c2c1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000005137501 559250784 /nfs/dbraw/zinc/25/07/84/559250784.db2.gz RNZTWXQRUKLPNK-QJXMJWHHSA-N 0 0 404.489 5.027 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 ZINC000005137799 557637873 /nfs/dbraw/zinc/63/78/73/557637873.db2.gz APTRHJFQVNREFT-QYBDOPJKSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 ZINC000005137804 557637845 /nfs/dbraw/zinc/63/78/45/557637845.db2.gz APTRHJFQVNREFT-DWXRJYCRSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 ZINC000005137808 557637769 /nfs/dbraw/zinc/63/77/69/557637769.db2.gz APTRHJFQVNREFT-HFJWLAOPSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 ZINC000005137813 557637794 /nfs/dbraw/zinc/63/77/94/557637794.db2.gz APTRHJFQVNREFT-WXTAPIANSA-N 0 0 412.489 5.380 50 30 HKEARN CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C#N)c1C ZINC000005145228 559252445 /nfs/dbraw/zinc/25/24/45/559252445.db2.gz NVKIXNLFKRIUIA-UHFFFAOYSA-N 0 0 406.463 5.150 50 30 HKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 ZINC000005149222 559253276 /nfs/dbraw/zinc/25/32/76/559253276.db2.gz ZDIVRSDCZMTNBW-UUYOSTAYSA-N 0 0 410.828 5.683 50 30 HKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O ZINC000005150129 559252165 /nfs/dbraw/zinc/25/21/65/559252165.db2.gz AMIBTLYPXWAPMG-YUMLRZHGSA-N 0 0 402.421 5.586 50 30 HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c1 ZINC000005150992 559253693 /nfs/dbraw/zinc/25/36/93/559253693.db2.gz KXYRVOVQTHDTKI-FMCGGJTJSA-N 0 0 406.409 5.038 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000005151066 557638051 /nfs/dbraw/zinc/63/80/51/557638051.db2.gz JNLJYCMPRCBRHJ-DEOSSOPVSA-N 0 0 412.489 5.736 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 ZINC000005151073 557638055 /nfs/dbraw/zinc/63/80/55/557638055.db2.gz JNLJYCMPRCBRHJ-XMMPIXPASA-N 0 0 412.489 5.736 50 30 HKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@](=O)Cc3ccccc3)n2)cc1 ZINC000005151872 559253432 /nfs/dbraw/zinc/25/34/32/559253432.db2.gz GAJDYFRQHBMDLX-PMERELPUSA-N 0 0 408.526 5.904 50 30 HKEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1cccc(Br)c1 ZINC000005155876 559258415 /nfs/dbraw/zinc/25/84/15/559258415.db2.gz GIBRMAZKJZDCJV-MTJSOVHGSA-N 0 0 407.263 5.644 50 30 HKEARN C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 ZINC000005156169 559258756 /nfs/dbraw/zinc/25/87/56/559258756.db2.gz OMACFJXGRCXFGA-UHFFFAOYSA-N 0 0 401.260 5.292 50 30 HKEARN CCc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005156677 559260924 /nfs/dbraw/zinc/26/09/24/559260924.db2.gz VTSAFDJFANBMJF-NRFANRHFSA-N 0 0 413.521 5.341 50 30 HKEARN CCc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005156679 559260858 /nfs/dbraw/zinc/26/08/58/559260858.db2.gz VTSAFDJFANBMJF-OAQYLSRUSA-N 0 0 413.521 5.341 50 30 HKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O ZINC000005156769 559261078 /nfs/dbraw/zinc/26/10/78/559261078.db2.gz RBWTZRDEARZTFN-IQDOGGMESA-N 0 0 416.404 5.226 50 30 HKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C)c1=O ZINC000005156809 559261513 /nfs/dbraw/zinc/26/15/13/559261513.db2.gz LJUWURFVJHIWJY-PSOMGPDVSA-N 0 0 418.541 5.273 50 30 HKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/[C@H]2CC3=C(CCCC3(C)C)C[C@@H]2C)c1=O ZINC000005156811 559261446 /nfs/dbraw/zinc/26/14/46/559261446.db2.gz LJUWURFVJHIWJY-KEXANBGTSA-N 0 0 418.541 5.273 50 30 HKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/[C@@H]2CC3=C(CCCC3(C)C)C[C@H]2C)c1=O ZINC000005156812 559261542 /nfs/dbraw/zinc/26/15/42/559261542.db2.gz LJUWURFVJHIWJY-MNTZXMNTSA-N 0 0 418.541 5.273 50 30 HKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/[C@@H]2CC3=C(CCCC3(C)C)C[C@@H]2C)c1=O ZINC000005156814 559261537 /nfs/dbraw/zinc/26/15/37/559261537.db2.gz LJUWURFVJHIWJY-KNRTUPFFSA-N 0 0 418.541 5.273 50 30 HKEARN N#Cc1nc(-c2cccc3ccccc32)oc1N(Cc1ccccc1)Cc1ccccc1 ZINC000005157930 559265025 /nfs/dbraw/zinc/26/50/25/559265025.db2.gz CUWBEQKXVCKQRO-UHFFFAOYSA-N 0 0 415.496 6.573 50 30 HKEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 ZINC000005162686 559275335 /nfs/dbraw/zinc/27/53/35/559275335.db2.gz PBXCONRXIALLRC-MTJSOVHGSA-N 0 0 408.812 5.623 50 30 HKEARN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 ZINC000005163304 559275341 /nfs/dbraw/zinc/27/53/41/559275341.db2.gz NWYFFNIOINORBD-NDENLUEZSA-N 0 0 406.459 5.038 50 30 HKEARN C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c(O)c1 ZINC000005163434 559275450 /nfs/dbraw/zinc/27/54/50/559275450.db2.gz QQGRDBOBYWEIGH-UHFFFAOYSA-N 0 0 415.287 5.600 50 30 HKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000005163521 559275481 /nfs/dbraw/zinc/27/54/81/559275481.db2.gz YVUASLQDINPIKL-ARGSHCIWSA-N 0 0 409.555 5.028 50 30 HKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000005163523 559275514 /nfs/dbraw/zinc/27/55/14/559275514.db2.gz YVUASLQDINPIKL-PTHMFHIQSA-N 0 0 409.555 5.028 50 30 HKEARN C(=[NH+][N-]c1ccccc1)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000005163753 559275496 /nfs/dbraw/zinc/27/54/96/559275496.db2.gz LSXSLFPWBLQRDX-QZPVIKGESA-N 0 0 416.528 6.488 50 30 HKEARN C(=[NH+][N-]c1ccccc1)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000005163756 559275462 /nfs/dbraw/zinc/27/54/62/559275462.db2.gz LSXSLFPWBLQRDX-HLYLYWOTSA-N 0 0 416.528 6.488 50 30 HKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 ZINC000005163764 559275476 /nfs/dbraw/zinc/27/54/76/559275476.db2.gz AEVJFVSWCSUSJA-NHDPSOOVSA-N 0 0 406.821 5.184 50 30 HKEARN Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)c2ccccc21 ZINC000005163928 559275717 /nfs/dbraw/zinc/27/57/17/559275717.db2.gz OGRRQBBMASQBNN-IUXPMGMMSA-N 0 0 402.306 5.377 50 30 HKEARN CCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005164231 559275812 /nfs/dbraw/zinc/27/58/12/559275812.db2.gz VPHSZNOUVKDWTK-UHFFFAOYSA-N 0 0 402.929 6.124 50 30 HKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2C)CC1 ZINC000005164308 559275775 /nfs/dbraw/zinc/27/57/75/559275775.db2.gz ZGVKNMYTMCAQKR-UHFFFAOYSA-N 0 0 421.548 5.031 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(N3CCC(c4ccc(OC)cc4)=N3)cc2)cc1 ZINC000005165277 559278781 /nfs/dbraw/zinc/27/87/81/559278781.db2.gz HOKREVXIXKBXGZ-FZSIALSZSA-N 0 0 412.489 5.214 50 30 HKEARN COc1ccc(C2=NN(c3ccc(/C=C/C(=O)/C=C/c4ccccc4)cc3)CC2)cc1 ZINC000005165279 559278722 /nfs/dbraw/zinc/27/87/22/559278722.db2.gz JFGLNAMHMKBPFI-KAVGSWPWSA-N 0 0 408.501 5.605 50 30 HKEARN O=C(O/C(=N/C1CCCCC1)NC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000005165602 559281337 /nfs/dbraw/zinc/28/13/37/559281337.db2.gz YHVDAPIYKKDRDF-UHFFFAOYSA-N 0 0 404.554 6.121 50 30 HKEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OCc1ccccc1 ZINC000005165853 559281390 /nfs/dbraw/zinc/28/13/90/559281390.db2.gz JDMSQWYAERCCMU-PXLXIMEGSA-N 0 0 416.502 5.166 50 30 HKEARN Cn1c(=S)n(-c2ccccc2)s/c1=N/C(=N/c1ccccc1)c1ccccc1 ZINC000005170605 557638761 /nfs/dbraw/zinc/63/87/61/557638761.db2.gz QXRGIDCFUBXNMA-GKXZNNNVSA-N 0 0 402.548 5.286 50 30 HKEARN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000005171082 559287634 /nfs/dbraw/zinc/28/76/34/559287634.db2.gz VGDTVMFDEWMPCS-NHDPSOOVSA-N 0 0 413.325 6.902 50 30 HKEARN Cc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000005173347 559288100 /nfs/dbraw/zinc/28/81/00/559288100.db2.gz VJSAOXKZTVMLJF-ZMOGYAJESA-N 0 0 414.730 6.458 50 30 HKEARN CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(I)cc(C)c2O)c1 ZINC000005173419 559288278 /nfs/dbraw/zinc/28/82/78/559288278.db2.gz QONJADNPGJHHOG-JZOCJUILSA-N 0 0 409.267 5.275 50 30 HKEARN CC[C@H](C)c1ccc(O)c(/N=C/c2cc(I)cc(C)c2O)c1 ZINC000005173422 559288308 /nfs/dbraw/zinc/28/83/08/559288308.db2.gz QONJADNPGJHHOG-KKBVUKDESA-N 0 0 409.267 5.275 50 30 HKEARN CCOC(=O)c1ccc(NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000005173496 559288273 /nfs/dbraw/zinc/28/82/73/559288273.db2.gz HDMLECWHKBHMHQ-WSDLNYQXSA-N 0 0 413.817 5.131 50 30 HKEARN C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000005173590 559288332 /nfs/dbraw/zinc/28/83/32/559288332.db2.gz JOLZQRDQYPKRJO-MHWRWJLKSA-N 0 0 417.292 5.373 50 30 HKEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)o1 ZINC000005174153 559288414 /nfs/dbraw/zinc/28/84/14/559288414.db2.gz VEHVLXZMSLMJJI-UNOMPAQXSA-N 0 0 405.435 5.055 50 30 HKEARN Cc1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000005174156 559288356 /nfs/dbraw/zinc/28/83/56/559288356.db2.gz XRQUHTPZLYICHQ-UNOMPAQXSA-N 0 0 405.435 5.055 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000005174177 559288416 /nfs/dbraw/zinc/28/84/16/559288416.db2.gz XHENOCMBZDKAEI-WQRHYEAKSA-N 0 0 401.871 5.154 50 30 HKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000005175300 559288664 /nfs/dbraw/zinc/28/86/64/559288664.db2.gz GIHVLLGPBSDCRL-BRBBDLJVSA-N 0 0 402.475 5.209 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 ZINC000005175426 557638937 /nfs/dbraw/zinc/63/89/37/557638937.db2.gz RUFDUCHUWXGWDI-DEOSSOPVSA-N 0 0 404.510 5.248 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000005175428 557638930 /nfs/dbraw/zinc/63/89/30/557638930.db2.gz RUFDUCHUWXGWDI-XMMPIXPASA-N 0 0 404.510 5.248 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000005175530 557638888 /nfs/dbraw/zinc/63/88/88/557638888.db2.gz LXGUAURZSOAXTQ-QFIPXVFZSA-N 0 0 412.892 5.642 50 30 HKEARN Cc1c(OC/C(=N/O)c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000005175749 559288661 /nfs/dbraw/zinc/28/86/61/559288661.db2.gz VTWYZTGLRSGJEQ-VYIQYICTSA-N 0 0 413.473 5.258 50 30 HKEARN O=C1c2ccc(OCc3cccc(Cl)c3)cc2O/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005179601 559289256 /nfs/dbraw/zinc/28/92/56/559289256.db2.gz JTOZUZASDFWSFW-NHDPSOOVSA-N 0 0 407.809 5.443 50 30 HKEARN Cc1ccccc1N1CCN(c2cc(C(C)C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000005180311 132303670 /nfs/dbraw/zinc/30/36/70/132303670.db2.gz BYFDNVXRTIKCFZ-UHFFFAOYSA-N 0 0 409.537 5.118 50 30 HKEARN C/C(=N\O)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 ZINC000005184215 557639139 /nfs/dbraw/zinc/63/91/39/557639139.db2.gz QONBRHGQAYAGNN-OGLMXYFKSA-N 0 0 402.538 5.608 50 30 HKEARN CO/N=C(\C)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 ZINC000005184331 559290328 /nfs/dbraw/zinc/29/03/28/559290328.db2.gz ASYLHCFMWOGHGS-RDRPBHBLSA-N 0 0 416.565 5.780 50 30 HKEARN C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc(O)cc2oc1=O ZINC000005184961 559290577 /nfs/dbraw/zinc/29/05/77/559290577.db2.gz VGQNPXBGRNEPQI-FOKLQQMPSA-N 0 0 411.870 5.112 50 30 HKEARN Cn1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000005185024 559290630 /nfs/dbraw/zinc/29/06/30/559290630.db2.gz JRCHWTANWKIALW-SXGWCWSVSA-N 0 0 402.306 5.377 50 30 HKEARN C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 ZINC000005185974 559290809 /nfs/dbraw/zinc/29/08/09/559290809.db2.gz QNGAAMRKYMIISM-UHFFFAOYSA-N 0 0 404.388 5.432 50 30 HKEARN O=S(=O)(N=C(Nc1cc(Cl)ccc1Cl)c1ccccc1)c1ccccc1 ZINC000005186057 559290735 /nfs/dbraw/zinc/29/07/35/559290735.db2.gz HIQUKFKCKHLEEJ-UHFFFAOYSA-N 0 0 405.306 5.241 50 30 HKEARN O=C1c2ccc(OCc3ccc(Br)cc3)cc2O/C1=C\c1ccncc1 ZINC000005186517 559290781 /nfs/dbraw/zinc/29/07/81/559290781.db2.gz QHTLDRZPSPOQII-JAIQZWGSSA-N 0 0 408.251 5.039 50 30 HKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c1 ZINC000005186578 559290821 /nfs/dbraw/zinc/29/08/21/559290821.db2.gz MYSZQYCJWNNSBQ-NDENLUEZSA-N 0 0 408.910 6.108 50 30 HKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000005189561 557639428 /nfs/dbraw/zinc/63/94/28/557639428.db2.gz JIJNALPYOFONQG-FZSIALSZSA-N 0 0 404.893 6.579 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1c(F)cccc1Cl ZINC000005190626 557639399 /nfs/dbraw/zinc/63/93/99/557639399.db2.gz GCHDAQVOSYMNLW-FQEVSTJZSA-N 0 0 405.300 6.354 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1c(F)cccc1Cl ZINC000005190760 557639404 /nfs/dbraw/zinc/63/94/04/557639404.db2.gz GCHDAQVOSYMNLW-HXUWFJFHSA-N 0 0 405.300 6.354 50 30 HKEARN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 ZINC000005194628 559291751 /nfs/dbraw/zinc/29/17/51/559291751.db2.gz UKSGWEUHCKWTHY-FMCGGJTJSA-N 0 0 408.856 6.291 50 30 HKEARN O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1cccs1 ZINC000005196766 559291978 /nfs/dbraw/zinc/29/19/78/559291978.db2.gz DMGPICJMVNNGNF-GRSHGNNSSA-N 0 0 403.286 6.250 50 30 HKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000005200323 559292642 /nfs/dbraw/zinc/29/26/42/559292642.db2.gz DOFJEHVXUDMMPE-AZGAKELHSA-N 0 0 412.489 5.502 50 30 HKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000005200328 559292650 /nfs/dbraw/zinc/29/26/50/559292650.db2.gz DOFJEHVXUDMMPE-AOYPEHQESA-N 0 0 412.489 5.502 50 30 HKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1 ZINC000005201319 560537463 /nfs/dbraw/zinc/53/74/63/560537463.db2.gz BUSCTVFLVZSEQK-UQRBVYKBSA-N 0 0 416.502 5.512 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC=C(C)Cc4ccccc4)c3c2C1 ZINC000005205181 560539139 /nfs/dbraw/zinc/53/91/39/560539139.db2.gz VPSXTLJIGYFAFD-KCZKUEIASA-N 0 0 418.610 6.734 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccc4OC)c3c2C1 ZINC000005205196 560539131 /nfs/dbraw/zinc/53/91/31/560539131.db2.gz YFFQIVCRXMZMCJ-NCQSQGRDSA-N 0 0 408.571 5.687 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccc4OC)c3c2C1 ZINC000005205199 560539168 /nfs/dbraw/zinc/53/91/68/560539168.db2.gz YFFQIVCRXMZMCJ-REWBEUJESA-N 0 0 408.571 5.687 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4O)c3c2C1 ZINC000005205211 560539163 /nfs/dbraw/zinc/53/91/63/560539163.db2.gz TXEVXFFLNSOMIA-RNSPVEPZSA-N 0 0 424.570 5.393 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4O)c3c2C1 ZINC000005205214 560539166 /nfs/dbraw/zinc/53/91/66/560539166.db2.gz TXEVXFFLNSOMIA-AQDQEMTMSA-N 0 0 424.570 5.393 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccco2)[C@@H]3c2ccccc2)cc1 ZINC000005210796 560542499 /nfs/dbraw/zinc/54/24/99/560542499.db2.gz IHFOCWUXWQQKET-IVNHJSRESA-N 0 0 408.453 6.492 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccco2)[C@H]3c2ccccc2)cc1 ZINC000005210797 560542494 /nfs/dbraw/zinc/54/24/94/560542494.db2.gz IHFOCWUXWQQKET-PBMMVTTKSA-N 0 0 408.453 6.492 50 30 HKEARN CC(/C=N/N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)=C\c1ccccc1 ZINC000005214838 568978505 /nfs/dbraw/zinc/97/85/05/568978505.db2.gz PHRKHKJYERALAP-JKSVLNGRSA-N 0 0 404.560 5.923 50 30 HKEARN O=C1c2ccc(OCc3ccc(Br)cc3)cc2O/C1=C\c1cccnc1 ZINC000005215809 560543363 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N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005228832 560546454 /nfs/dbraw/zinc/54/64/54/560546454.db2.gz NZGVIBXXLRDCSB-UHFFFAOYSA-N 0 0 416.937 5.811 50 30 HKEARN CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000005234053 560547934 /nfs/dbraw/zinc/54/79/34/560547934.db2.gz JMRSDYUYGIXEEL-NJRDNMGOSA-N 0 0 423.582 5.153 50 30 HKEARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 ZINC000005242824 560549815 /nfs/dbraw/zinc/54/98/15/560549815.db2.gz WVYAGNWWBBIJMS-INIZCTEOSA-N 0 0 410.502 5.288 50 30 HKEARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 ZINC000005242825 560549827 /nfs/dbraw/zinc/54/98/27/560549827.db2.gz WVYAGNWWBBIJMS-MRXNPFEDSA-N 0 0 410.502 5.288 50 30 HKEARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(C#N)cc1 ZINC000005242892 560549806 /nfs/dbraw/zinc/54/98/06/560549806.db2.gz SGBVCJZJIMVOTM-INIZCTEOSA-N 0 0 410.502 5.288 50 30 HKEARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(C#N)cc1 ZINC000005242893 560549821 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O=C(O/N=C\c1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc(Cl)cc1 ZINC000005252785 557641927 /nfs/dbraw/zinc/64/19/27/557641927.db2.gz WZLQERPUFVACNE-XKZIYDEJSA-N 0 0 418.902 5.864 50 30 HKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005255244 560552239 /nfs/dbraw/zinc/55/22/39/560552239.db2.gz XWHAWMJTYAVERR-MTJSOVHGSA-N 0 0 408.812 5.623 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005257086 557641962 /nfs/dbraw/zinc/64/19/62/557641962.db2.gz RDPSSTMFRFJDMT-HAKBYTDPSA-N 0 0 406.373 5.172 50 30 HKEARN O=c1c(NC=Nc2cccc(Cl)c2)cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005259566 560625204 /nfs/dbraw/zinc/62/52/04/560625204.db2.gz QFXREUGOEUNTIR-UHFFFAOYSA-N 0 0 400.869 5.325 50 30 HKEARN N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(cccc3Cl)s2)cc1 ZINC000005264910 560553379 /nfs/dbraw/zinc/55/33/79/560553379.db2.gz GYFUKYRQPDIRKW-UHFFFAOYSA-N 0 0 404.882 5.063 50 30 HKEARN N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000005265175 560553550 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C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1c2ccccc2cc2ccccc21 ZINC000005286350 557643677 /nfs/dbraw/zinc/64/36/77/557643677.db2.gz VDLDFNCOFCWPAT-NDZAJKAJSA-N 0 0 411.508 7.142 50 30 HKEARN N#Cc1ccsc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000005287892 560562631 /nfs/dbraw/zinc/56/26/31/560562631.db2.gz RAFGCYHUFQCREW-UHFFFAOYSA-N 0 0 408.533 5.022 50 30 HKEARN CCCCc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005294963 560562295 /nfs/dbraw/zinc/56/22/95/560562295.db2.gz BHSJCWNETAGALB-NRFANRHFSA-N 0 0 401.572 5.258 50 30 HKEARN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000005296061 568964969 /nfs/dbraw/zinc/96/49/69/568964969.db2.gz IHCQJYWIXVFLQB-UHFFFAOYSA-N 0 0 406.338 5.642 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)cc2)c1Cc1ccccc1 ZINC000005296152 560562053 /nfs/dbraw/zinc/56/20/53/560562053.db2.gz NMCKDWHSJLMDCV-UHFFFAOYSA-N 0 0 422.919 6.655 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Cl ZINC000005296262 568964957 /nfs/dbraw/zinc/96/49/57/568964957.db2.gz 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CCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCC)cc3)c([N+](=O)[O-])c2)cc1 ZINC000005336352 557645315 /nfs/dbraw/zinc/64/53/15/557645315.db2.gz GEVWUVYNVBFVFO-ZZZAPRPPSA-N 0 0 417.465 5.893 50 30 HKEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(C)cc2C)c(C)c1 ZINC000005337165 557645606 /nfs/dbraw/zinc/64/56/06/557645606.db2.gz AVCIIYWHSUXNLV-JFLMPSFJSA-N 0 0 410.521 5.731 50 30 HKEARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNC(=Nc1ccccc1)Nc1ccccc1 ZINC000005337383 560567019 /nfs/dbraw/zinc/56/70/19/560567019.db2.gz CFNSFPBRQFVIOF-QJOMJCCJSA-N 0 0 409.493 5.182 50 30 HKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc4ncccc4c3)c(-c3ccccc3)c2c1 ZINC000005337720 560847954 /nfs/dbraw/zinc/84/79/54/560847954.db2.gz OIALVCAVMSJOOE-SDNWHVSQSA-N 0 0 416.480 5.948 50 30 HKEARN Cc1ccc(Sc2c([C@H](O)C#Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000005342239 560567822 /nfs/dbraw/zinc/56/78/22/560567822.db2.gz OUYFAHFUBMAXDZ-HSZRJFAPSA-N 0 0 410.542 5.632 50 30 HKEARN Cc1ccc(Sc2c([C@@H](O)C#Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000005342244 560567890 /nfs/dbraw/zinc/56/78/90/560567890.db2.gz OUYFAHFUBMAXDZ-QHCPKHFHSA-N 0 0 410.542 5.632 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1 ZINC000005345380 560569827 /nfs/dbraw/zinc/56/98/27/560569827.db2.gz MFPHAMLWNFEDFK-UHFFFAOYSA-N 0 0 410.498 5.261 50 30 HKEARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@H]2c1ccccc1O ZINC000005345422 557645773 /nfs/dbraw/zinc/64/57/73/557645773.db2.gz BVKVUDBPPOHFTG-JOCHJYFZSA-N 0 0 405.885 5.240 50 30 HKEARN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@@H]2c1ccccc1O ZINC000005345423 557646067 /nfs/dbraw/zinc/64/60/67/557646067.db2.gz BVKVUDBPPOHFTG-QFIPXVFZSA-N 0 0 405.885 5.240 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(F)cc1)OCO4 ZINC000005345591 560569925 /nfs/dbraw/zinc/56/99/25/560569925.db2.gz OOTWDQVISWAPCK-IBGZPJMESA-N 0 0 417.480 5.194 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(F)cc1)OCO4 ZINC000005345592 560569927 /nfs/dbraw/zinc/56/99/27/560569927.db2.gz OOTWDQVISWAPCK-LJQANCHMSA-N 0 0 417.480 5.194 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2cccc(Cl)c2)c1Cc1ccccc1 ZINC000005351322 560571424 /nfs/dbraw/zinc/57/14/24/560571424.db2.gz LOUSLQWODMRDKE-UHFFFAOYSA-N 0 0 422.919 6.655 50 30 HKEARN C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000005354138 560569362 /nfs/dbraw/zinc/56/93/62/560569362.db2.gz WJHCMAFXTKTTDP-UHFFFAOYSA-N 0 0 401.388 5.072 50 30 HKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(NC(C)=O)cc1 ZINC000005358579 560568883 /nfs/dbraw/zinc/56/88/83/560568883.db2.gz UUDCVQAPMFPUKE-UHFFFAOYSA-N 0 0 411.509 5.712 50 30 HKEARN Cc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)s2)s1 ZINC000005364080 557647004 /nfs/dbraw/zinc/64/70/04/557647004.db2.gz SVBRAKPGHNVESM-UHFFFAOYSA-N 0 0 402.457 5.107 50 30 HKEARN Cc1ccc2c(c1)N[C@H](c1c(Cl)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005364102 560571952 /nfs/dbraw/zinc/57/19/52/560571952.db2.gz OBVJYGRMERWDGZ-OAQYLSRUSA-N 0 0 401.337 6.524 50 30 HKEARN Cc1ccc2c(c1)N[C@@H](c1c(Cl)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000005364106 560571946 /nfs/dbraw/zinc/57/19/46/560571946.db2.gz OBVJYGRMERWDGZ-NRFANRHFSA-N 0 0 401.337 6.524 50 30 HKEARN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)S2)cc1 ZINC000005376532 560574826 /nfs/dbraw/zinc/57/48/26/560574826.db2.gz MSDVMZZYUMOKMD-QNGOZBTKSA-N 0 0 410.539 5.328 50 30 HKEARN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc(F)c1 ZINC000005376970 560574895 /nfs/dbraw/zinc/57/48/95/560574895.db2.gz GOIDGHIFWCBUAJ-AUWJEWJLSA-N 0 0 400.784 5.390 50 30 HKEARN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc(F)c1 ZINC000005376973 560574899 /nfs/dbraw/zinc/57/48/99/560574899.db2.gz POLBIKLOFUFPCK-AUWJEWJLSA-N 0 0 400.784 5.390 50 30 HKEARN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(F)cc1 ZINC000005376997 560574909 /nfs/dbraw/zinc/57/49/09/560574909.db2.gz ZGTDCERTYWXVPS-AUWJEWJLSA-N 0 0 400.784 5.390 50 30 HKEARN Cc1c(C(=O)N/C=N/OCc2ccc(Cl)cc2)sc(C#N)c1-c1ccccc1 ZINC000005378246 560573037 /nfs/dbraw/zinc/57/30/37/560573037.db2.gz DONVVOKAANQBHL-UHFFFAOYSA-N 0 0 409.898 5.139 50 30 HKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)c(C)c1 ZINC000005378784 560573044 /nfs/dbraw/zinc/57/30/44/560573044.db2.gz FXMQONGTBMIMHH-KAMYIIQDSA-N 0 0 406.503 5.276 50 30 HKEARN C=CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000005382772 560575312 /nfs/dbraw/zinc/57/53/12/560575312.db2.gz GGGWIZHQHGBCHC-UHFFFAOYSA-N 0 0 406.700 5.415 50 30 HKEARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 ZINC000005393139 560583141 /nfs/dbraw/zinc/58/31/41/560583141.db2.gz PRIYUFNTLDCFAH-VWLOTQADSA-N 0 0 418.537 5.638 50 30 HKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 ZINC000005393140 560583177 /nfs/dbraw/zinc/58/31/77/560583177.db2.gz PRIYUFNTLDCFAH-RUZDIDTESA-N 0 0 418.537 5.638 50 30 HKEARN C#CCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N ZINC000005394311 560583121 /nfs/dbraw/zinc/58/31/21/560583121.db2.gz BCQSKBZJQNKPBX-VCFJNTAESA-N 0 0 406.554 6.636 50 30 HKEARN C=CCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N ZINC000005394312 560583135 /nfs/dbraw/zinc/58/31/35/560583135.db2.gz IFMMVWQOIWFLGJ-VCFJNTAESA-N 0 0 408.570 7.189 50 30 HKEARN C#CCOc1nc(Nc2ccc(C)cc2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000005394377 560583164 /nfs/dbraw/zinc/58/31/64/560583164.db2.gz QIHWEXKGLPHIDY-UHFFFAOYSA-N 0 0 407.477 5.405 50 30 HKEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005401216 557651426 /nfs/dbraw/zinc/65/14/26/557651426.db2.gz LGHYFSSENRXVGG-OUKQBFOZSA-N 0 0 417.852 5.542 50 30 HKEARN O=C(/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000005401578 557651433 /nfs/dbraw/zinc/65/14/33/557651433.db2.gz FQVGIKQVGDANSE-JLHYYAGUSA-N 0 0 407.300 6.288 50 30 HKEARN Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000005406503 560584219 /nfs/dbraw/zinc/58/42/19/560584219.db2.gz DLZGOYRPRODPEJ-DEOSSOPVSA-N 0 0 414.505 5.084 50 30 HKEARN Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C[C@H]1CCCO1 ZINC000005406518 560584209 /nfs/dbraw/zinc/58/42/09/560584209.db2.gz DLZGOYRPRODPEJ-XMMPIXPASA-N 0 0 414.505 5.084 50 30 HKEARN C=C(C)Cn1c(CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n[nH]c1=S ZINC000005408054 568965153 /nfs/dbraw/zinc/96/51/53/568965153.db2.gz AONPIOZMEQYYBK-UHFFFAOYSA-N 0 0 417.365 6.174 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005408181 557651760 /nfs/dbraw/zinc/65/17/60/557651760.db2.gz MPBJVWIDBIOSSR-QFIPXVFZSA-N 0 0 419.452 5.321 50 30 HKEARN COc1ccc(N2C(=S)N=C(Nc3cccc(Cl)c3)C23CCC(C)CC3)cc1 ZINC000005408249 560583466 /nfs/dbraw/zinc/58/34/66/560583466.db2.gz SWSJPENCVMLELX-UHFFFAOYSA-N 0 0 413.974 5.722 50 30 HKEARN Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000005416083 560584659 /nfs/dbraw/zinc/58/46/59/560584659.db2.gz WFSLDCFWEJNBSH-WYMPLXKRSA-N 0 0 403.334 6.399 50 30 HKEARN Cc1ccc(C2N=NC(=S)N2N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000005417057 557652423 /nfs/dbraw/zinc/65/24/23/557652423.db2.gz LSEREKLYMMZFRB-AFUMVMLFSA-N 0 0 422.598 5.725 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(OC)c1 ZINC000005418392 557652610 /nfs/dbraw/zinc/65/26/10/557652610.db2.gz QTLHOZNVOHASAB-GXDHUFHOSA-N 0 0 401.462 5.161 50 30 HKEARN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccccc1)C(=CNc1ccccc1)CC2 ZINC000005425422 557653178 /nfs/dbraw/zinc/65/31/78/557653178.db2.gz AODVQMYHOKJYRV-SMGWWCFGSA-N 0 0 405.505 5.639 50 30 HKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000005425856 560585498 /nfs/dbraw/zinc/58/54/98/560585498.db2.gz QKPHSQLTGLTRCO-FQEVSTJZSA-N 0 0 415.533 5.343 50 30 biogenic HKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000005425862 560585478 /nfs/dbraw/zinc/58/54/78/560585478.db2.gz QKPHSQLTGLTRCO-HXUWFJFHSA-N 0 0 415.533 5.343 50 30 biogenic HKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccc(Br)cc3)cs1)C2 ZINC000005426091 560585468 /nfs/dbraw/zinc/58/54/68/560585468.db2.gz YALZLCZKTACCIE-CBJFBRNBSA-N 0 0 404.377 6.187 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC1(O)CCCCC1 ZINC000005426252 560585484 /nfs/dbraw/zinc/58/54/84/560585484.db2.gz HNFDWSPXKVDAFY-UHFFFAOYSA-N 0 0 406.576 6.136 50 30 HKEARN C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000005427801 560585753 /nfs/dbraw/zinc/58/57/53/560585753.db2.gz OKJGOAZSEVRTBL-UHFFFAOYSA-N 0 0 405.372 5.697 50 30 HKEARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c2c1C ZINC000005429045 560586291 /nfs/dbraw/zinc/58/62/91/560586291.db2.gz LMRASDCLJZPZJB-HNNXBMFYSA-N 0 0 410.568 5.044 50 30 HKEARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)c2c1C ZINC000005429046 560586335 /nfs/dbraw/zinc/58/63/35/560586335.db2.gz LMRASDCLJZPZJB-OAHLLOKOSA-N 0 0 410.568 5.044 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000005442869 560587772 /nfs/dbraw/zinc/58/77/72/560587772.db2.gz AKQSEPMNORZAEK-OBDYRVMHSA-N 0 0 415.496 5.405 50 30 HKEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1OCc1ccccc1 ZINC000005445400 560626312 /nfs/dbraw/zinc/62/63/12/560626312.db2.gz CLIODLAVZXXSPI-RMKNXTFCSA-N 0 0 406.865 5.586 50 30 HKEARN O=[N+]([O-])c1ccc(-c2csc(N=NC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005445870 571308299 /nfs/dbraw/zinc/30/82/99/571308299.db2.gz MSTWVOVRPGBAKW-UHFFFAOYSA-N 0 0 400.463 5.583 50 30 HKEARN COc1ccccc1O/C(=C\c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000005446369 560588329 /nfs/dbraw/zinc/58/83/29/560588329.db2.gz HXNTZOOTENGHTC-QNGOZBTKSA-N 0 0 409.279 5.761 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000005447099 560588996 /nfs/dbraw/zinc/58/89/96/560588996.db2.gz QMGMBUOMGVPKSK-DNVJHFABSA-N 0 0 407.498 5.032 50 30 HKEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000005451864 560589272 /nfs/dbraw/zinc/58/92/72/560589272.db2.gz HMZYMFBMDRSKEE-UHFFFAOYSA-N 0 0 409.489 5.083 50 30 HKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCC(C)CC2)cc1 ZINC000005453366 132305959 /nfs/dbraw/zinc/30/59/59/132305959.db2.gz JJWZVGAIJLTYBR-UHFFFAOYSA-N 0 0 408.549 5.803 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCCC2)c1Cc1ccccc1Cl ZINC000005453596 132305937 /nfs/dbraw/zinc/30/59/37/132305937.db2.gz PSYZPFCKLOJUIQ-UHFFFAOYSA-N 0 0 414.940 5.902 50 30 HKEARN CCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005453710 560589725 /nfs/dbraw/zinc/58/97/25/560589725.db2.gz ROTRHAHTIZRUHI-UHFFFAOYSA-N 0 0 402.929 6.124 50 30 HKEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(Cc1ccc(Cl)cc1Cl)CC2 ZINC000005453920 560589693 /nfs/dbraw/zinc/58/96/93/560589693.db2.gz JPGCJBBTCCKTGD-UHFFFAOYSA-N 0 0 407.304 5.537 50 30 HKEARN CC[C@@H](C)Nc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454100 560589654 /nfs/dbraw/zinc/58/96/54/560589654.db2.gz GJTVCUXTIWPSCR-OAHLLOKOSA-N 0 0 402.929 6.122 50 30 HKEARN CC[C@H](C)Nc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454104 560589650 /nfs/dbraw/zinc/58/96/50/560589650.db2.gz GJTVCUXTIWPSCR-HNNXBMFYSA-N 0 0 402.929 6.122 50 30 HKEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(c1ccc(Br)cc1)CC2 ZINC000005454108 560589726 /nfs/dbraw/zinc/58/97/26/560589726.db2.gz PZZJKIREQZGPMV-UHFFFAOYSA-N 0 0 403.283 5.124 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCC2)c1Cc1ccccc1Cl ZINC000005454172 560589710 /nfs/dbraw/zinc/58/97/10/560589710.db2.gz KNYCDPSHRUYORP-UHFFFAOYSA-N 0 0 400.913 5.512 50 30 HKEARN CCCc1cc(SCc2cccc3ccccc32)n2c3ccccc3nc2c1C#N ZINC000005454589 560589978 /nfs/dbraw/zinc/58/99/78/560589978.db2.gz FBWRYSODROLLMT-UHFFFAOYSA-N 0 0 407.542 6.757 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1ccccc1C ZINC000005454605 560589938 /nfs/dbraw/zinc/58/99/38/560589938.db2.gz RRJGKJZICCCMMB-UHFFFAOYSA-N 0 0 414.534 5.269 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCC2)c1Cc1ccc(Cl)cc1 ZINC000005454627 560589937 /nfs/dbraw/zinc/58/99/37/560589937.db2.gz QEXDSFAIVDSGLC-UHFFFAOYSA-N 0 0 414.940 6.266 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCC2)c1Cc1ccccc1Cl ZINC000005454677 560589934 /nfs/dbraw/zinc/58/99/34/560589934.db2.gz ZHYWVIQRWSGGEU-UHFFFAOYSA-N 0 0 414.940 6.266 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCCC(C)C)c1Cc1ccccc1Cl ZINC000005454710 560589284 /nfs/dbraw/zinc/58/92/84/560589284.db2.gz RPRYZLCLAKFSKJ-UHFFFAOYSA-N 0 0 416.956 6.370 50 30 HKEARN CC[C@@H](C)Nc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454853 560589697 /nfs/dbraw/zinc/58/96/97/560589697.db2.gz ZGQDDDGOLITISL-OAHLLOKOSA-N 0 0 402.929 6.122 50 30 HKEARN CC[C@H](C)Nc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454857 560589783 /nfs/dbraw/zinc/58/97/83/560589783.db2.gz ZGQDDDGOLITISL-HNNXBMFYSA-N 0 0 402.929 6.122 50 30 HKEARN CCCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005454861 560589781 /nfs/dbraw/zinc/58/97/81/560589781.db2.gz VXFVHIBLECYUBO-UHFFFAOYSA-N 0 0 416.956 6.514 50 30 HKEARN CCCc1cc(SCC(=O)Nc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000005454938 560589221 /nfs/dbraw/zinc/58/92/21/560589221.db2.gz ZBPYAJWISGMLOG-UHFFFAOYSA-N 0 0 400.507 5.042 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1c(F)cccc1Cl ZINC000005455530 560591150 /nfs/dbraw/zinc/59/11/50/560591150.db2.gz MLELEAKROVGMEM-RPPGKUMJSA-N 0 0 405.864 5.469 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccnc2ccccc12 ZINC000005455542 560591192 /nfs/dbraw/zinc/59/11/92/560591192.db2.gz PVFAGJZQFULLJO-RWPZCVJISA-N 0 0 404.477 5.224 50 30 HKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1 ZINC000005455769 560591333 /nfs/dbraw/zinc/59/13/33/560591333.db2.gz FOTHVGQXWZPQDS-UHFFFAOYSA-N 0 0 421.548 5.031 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cccc2cccnc12 ZINC000005455779 560591382 /nfs/dbraw/zinc/59/13/82/560591382.db2.gz CZCHNYRIWCYETD-RWPZCVJISA-N 0 0 404.477 5.224 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc2ncccc2c1 ZINC000005456778 560591574 /nfs/dbraw/zinc/59/15/74/560591574.db2.gz CICIHDKJDZRQRS-RWPZCVJISA-N 0 0 404.477 5.224 50 30 HKEARN COc1ccc2c(c1)c(C=NNc1nc3ccccc3[nH]1)c(C)n2Cc1ccccc1 ZINC000005457010 560591582 /nfs/dbraw/zinc/59/15/82/560591582.db2.gz ZPCWUFQCPZXZEB-CVKSISIWSA-N 0 0 409.493 5.329 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N=NC=C1COc2ccccc2C1 ZINC000005461943 560591897 /nfs/dbraw/zinc/59/18/97/560591897.db2.gz AOHXWXVHRMPBRL-MZJWZYIUSA-N 0 0 407.477 5.104 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000005464071 557655423 /nfs/dbraw/zinc/65/54/23/557655423.db2.gz VQCCDAMKZVXIJS-LJQANCHMSA-N 0 0 404.491 5.049 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000005464130 557655357 /nfs/dbraw/zinc/65/53/57/557655357.db2.gz VQCCDAMKZVXIJS-IBGZPJMESA-N 0 0 404.491 5.049 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000005464730 557655443 /nfs/dbraw/zinc/65/54/43/557655443.db2.gz VEVBBTPUASDSMY-UHFFFAOYSA-N 0 0 413.470 5.081 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2nn[nH]n2)cc1 ZINC000005464958 560592023 /nfs/dbraw/zinc/59/20/23/560592023.db2.gz MOANWOXZSBRKHF-DEOSSOPVSA-N 0 0 421.504 5.329 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2nn[nH]n2)cc1 ZINC000005465018 560592027 /nfs/dbraw/zinc/59/20/27/560592027.db2.gz MOANWOXZSBRKHF-XMMPIXPASA-N 0 0 421.504 5.329 50 30 HKEARN CCc1cccc(C)c1N/N=C/c1cc2cc(C(=O)OC)n(Cc3ccccc3)c2o1 ZINC000005477422 557655909 /nfs/dbraw/zinc/65/59/09/557655909.db2.gz MYZVODBJWXXPTL-CVKSISIWSA-N 0 0 415.493 5.386 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1OC ZINC000005477611 568965405 /nfs/dbraw/zinc/96/54/05/568965405.db2.gz GRQXALVJHODWBL-UHFFFAOYSA-N 0 0 415.518 5.268 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1Cl ZINC000005477632 560594743 /nfs/dbraw/zinc/59/47/43/560594743.db2.gz WMPHDQQOBJQRHF-UHFFFAOYSA-N 0 0 412.946 5.078 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 ZINC000005477843 560594813 /nfs/dbraw/zinc/59/48/13/560594813.db2.gz GCSFOPSZTSNIEI-UHFFFAOYSA-N 0 0 404.322 5.413 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(Cl)c1 ZINC000005477852 568965359 /nfs/dbraw/zinc/96/53/59/568965359.db2.gz CDDHRCCSZKRKEN-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000005477896 560594941 /nfs/dbraw/zinc/59/49/41/560594941.db2.gz SSTQPDVPDHKJGT-UHFFFAOYSA-N 0 0 412.518 5.415 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(C)c1 ZINC000005477899 568965340 /nfs/dbraw/zinc/96/53/40/568965340.db2.gz WEDOLWMILXXSCN-UHFFFAOYSA-N 0 0 406.555 5.294 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(C)cc1 ZINC000005477901 560594939 /nfs/dbraw/zinc/59/49/39/560594939.db2.gz PRQRBFDREXOAHF-UHFFFAOYSA-N 0 0 406.555 5.041 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(C)cc1 ZINC000005477912 560594940 /nfs/dbraw/zinc/59/49/40/560594940.db2.gz ZJHHRWURDOSHFS-UHFFFAOYSA-N 0 0 420.582 5.513 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1Cl ZINC000005477913 560594952 /nfs/dbraw/zinc/59/49/52/560594952.db2.gz DSRJWSPSPVWIMD-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 ZINC000005477939 568965332 /nfs/dbraw/zinc/96/53/32/568965332.db2.gz ZHDWYLMKFPACRT-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(OC)c1 ZINC000005478005 568965451 /nfs/dbraw/zinc/96/54/51/568965451.db2.gz ZKDNTNLPDGZNJD-UHFFFAOYSA-N 0 0 416.344 5.195 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478042 560594923 /nfs/dbraw/zinc/59/49/23/560594923.db2.gz POUKFGBJOYCGGV-UHFFFAOYSA-N 0 0 424.545 5.299 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C)cc1 ZINC000005478262 568965396 /nfs/dbraw/zinc/96/53/96/568965396.db2.gz KNUDJOGZGRYSRS-UHFFFAOYSA-N 0 0 406.555 5.294 50 30 HKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000005478304 568965398 /nfs/dbraw/zinc/96/53/98/568965398.db2.gz NQPBRZBZZUDMIC-UHFFFAOYSA-N 0 0 419.472 5.663 50 30 HKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478386 560595124 /nfs/dbraw/zinc/59/51/24/560595124.db2.gz DZDRZIXWNRDWLI-UHFFFAOYSA-N 0 0 419.638 7.018 50 30 HKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(OC)cc1 ZINC000005478394 560595143 /nfs/dbraw/zinc/59/51/43/560595143.db2.gz HYZVMKYPCVSYOE-UHFFFAOYSA-N 0 0 416.344 5.195 50 30 HKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005478415 560595248 /nfs/dbraw/zinc/59/52/48/560595248.db2.gz VDKDOUFITXSQCL-UHFFFAOYSA-N 0 0 408.527 5.629 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(C)cc1 ZINC000005478462 560595207 /nfs/dbraw/zinc/59/52/07/560595207.db2.gz BKHISRXNERYVJZ-UHFFFAOYSA-N 0 0 414.534 5.324 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(Cl)c1 ZINC000005478487 568965528 /nfs/dbraw/zinc/96/55/28/568965528.db2.gz CGRIDKQHRLPWCU-UHFFFAOYSA-N 0 0 412.946 5.078 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1Cl ZINC000005478500 560595242 /nfs/dbraw/zinc/59/52/42/560595242.db2.gz POEOCYBLHPHTRV-UHFFFAOYSA-N 0 0 412.946 5.078 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 ZINC000005478560 568965367 /nfs/dbraw/zinc/96/53/67/568965367.db2.gz SDRXWIKAJXZXKU-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 ZINC000005478583 557656378 /nfs/dbraw/zinc/65/63/78/557656378.db2.gz IOUYZXVWOKZJFH-UHFFFAOYSA-N 0 0 412.518 5.497 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 ZINC000005478729 568965541 /nfs/dbraw/zinc/96/55/41/568965541.db2.gz HNHYPCJHRPKJQV-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@H](C(C)(C)C)CC2 ZINC000005481465 560596010 /nfs/dbraw/zinc/59/60/10/560596010.db2.gz MZWGBCGXXAVNMK-CYBMUJFWSA-N 0 0 400.569 5.098 50 30 HKEARN COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@@H](C(C)(C)C)CC2 ZINC000005481482 560596012 /nfs/dbraw/zinc/59/60/12/560596012.db2.gz MZWGBCGXXAVNMK-ZDUSSCGKSA-N 0 0 400.569 5.098 50 30 HKEARN O=C(O/N=C1/c2ccccc2N(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000005483737 560596659 /nfs/dbraw/zinc/59/66/59/560596659.db2.gz AICDYSDEWVONIU-CLCOLTQESA-N 0 0 411.244 5.233 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000005483959 557656763 /nfs/dbraw/zinc/65/67/63/557656763.db2.gz IXFLMMJCOTVRLK-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000005483963 557656819 /nfs/dbraw/zinc/65/68/19/557656819.db2.gz IXFLMMJCOTVRLK-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005484014 557656865 /nfs/dbraw/zinc/65/68/65/557656865.db2.gz BSHFKGRWODMECK-HXUWFJFHSA-N 0 0 412.470 5.079 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005484072 557656796 /nfs/dbraw/zinc/65/67/96/557656796.db2.gz BSHFKGRWODMECK-FQEVSTJZSA-N 0 0 412.470 5.079 50 30 HKEARN Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000005485701 560595660 /nfs/dbraw/zinc/59/56/60/560595660.db2.gz LUVRYCGDLLUSQL-UHFFFAOYSA-N 0 0 416.937 6.060 50 30 HKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005490617 557657202 /nfs/dbraw/zinc/65/72/02/557657202.db2.gz RYSWMVHRWVFVHI-HSZRJFAPSA-N 0 0 415.489 5.490 50 30 HKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005491396 560597554 /nfs/dbraw/zinc/59/75/54/560597554.db2.gz MLJURJYTLVVIER-QFIPXVFZSA-N 0 0 417.892 5.161 50 30 HKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000005491403 557657532 /nfs/dbraw/zinc/65/75/32/557657532.db2.gz CHSICNGMLHMRHT-OAQYLSRUSA-N 0 0 403.865 5.119 50 30 HKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000005491406 557657499 /nfs/dbraw/zinc/65/74/99/557657499.db2.gz CHSICNGMLHMRHT-NRFANRHFSA-N 0 0 403.865 5.119 50 30 HKEARN CC(=NNc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000005494422 557657524 /nfs/dbraw/zinc/65/75/24/557657524.db2.gz PWGVOVUKDADHGQ-STZFKDTASA-N 0 0 408.439 5.490 50 30 HKEARN C/C(=N\N(c1nc(-c2ccccc2)cs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000005494457 557657488 /nfs/dbraw/zinc/65/74/88/557657488.db2.gz CNUOVIYTHDKFKJ-YZSQISJMSA-N 0 0 403.938 7.026 50 30 HKEARN C/C(=N\N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000005494496 557657528 /nfs/dbraw/zinc/65/75/28/557657528.db2.gz MOOXRNCKGXUARD-DHUSVAKKSA-N 0 0 403.938 6.184 50 30 HKEARN C=CCn1c(-c2cc3ccccc3oc2=O)cs/c1=N\c1cccc2ccccc21 ZINC000005495053 568965433 /nfs/dbraw/zinc/96/54/33/568965433.db2.gz JRPDGROJXUSUIP-QPLCGJKRSA-N 0 0 410.498 5.895 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000005498923 568965134 /nfs/dbraw/zinc/96/51/34/568965134.db2.gz NBAPRSAJCXDXQU-UHFFFAOYSA-N 0 0 410.757 6.384 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 ZINC000005498939 568965324 /nfs/dbraw/zinc/96/53/24/568965324.db2.gz BAOLJIDECSACEE-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C)cc1 ZINC000005499758 568965356 /nfs/dbraw/zinc/96/53/56/568965356.db2.gz DWTBKEIYXRJPJN-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(Cl)c1 ZINC000005500090 568965612 /nfs/dbraw/zinc/96/56/12/568965612.db2.gz RYIZGIDPLINRPP-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC ZINC000005500121 568965343 /nfs/dbraw/zinc/96/53/43/568965343.db2.gz RLPNLSDSJRYFRS-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN CC(C=CC1=C(C)CCCC1(C)C)=CC=CCC=CN=Nc1cccc([N+](=O)[O-])c1 ZINC000005500187 557658134 /nfs/dbraw/zinc/65/81/34/557658134.db2.gz YNMWJCJNKIILQE-GHVHJYAFSA-N 0 0 405.542 7.134 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccc(C)c1 ZINC000005500194 568965437 /nfs/dbraw/zinc/96/54/37/568965437.db2.gz LOEJGLBVMCVLKN-UHFFFAOYSA-N 0 0 406.555 5.041 50 30 HKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl ZINC000005500449 560598473 /nfs/dbraw/zinc/59/84/73/560598473.db2.gz XTSJMQOVWDDCMA-UHFFFAOYSA-N 0 0 410.757 6.384 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Cl ZINC000005500623 568965353 /nfs/dbraw/zinc/96/53/53/568965353.db2.gz YHEHSLKBWGOFRB-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005500759 568965164 /nfs/dbraw/zinc/96/51/64/568965164.db2.gz IEMLYDMCKMBFRU-UHFFFAOYSA-N 0 0 424.545 5.299 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(C)cc1 ZINC000005500853 560601108 /nfs/dbraw/zinc/60/11/08/560601108.db2.gz SNWCENFVRMOSDF-UHFFFAOYSA-N 0 0 420.582 5.468 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(Cl)c1 ZINC000005501370 568965579 /nfs/dbraw/zinc/96/55/79/568965579.db2.gz KWSHENYBZQAYNY-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4)c3c2C1 ZINC000005501408 557658333 /nfs/dbraw/zinc/65/83/33/557658333.db2.gz CTKCKNOJQDHMMV-ORDWZPJKSA-N 0 0 404.583 6.344 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c[nH]c5ccccc45)c3c2C1 ZINC000005501412 557658328 /nfs/dbraw/zinc/65/83/28/557658328.db2.gz FGQDMAGNVNWKAR-UVHCEKQDSA-N 0 0 417.582 6.160 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(O)c(OC)c4)c3c2C1 ZINC000005501415 557658426 /nfs/dbraw/zinc/65/84/26/557658426.db2.gz QVFJQIDXJZSOCZ-ZXGJNYTGSA-N 0 0 424.570 5.393 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(C(C)C)cc4)c3c2C1 ZINC000005501418 557658418 /nfs/dbraw/zinc/65/84/18/557658418.db2.gz BLIMJBXVGYMQEP-WWTGGXICSA-N 0 0 420.626 6.802 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc([N-][NH+]=Cc4ccc(N(C)C)cc4)c3c2C1 ZINC000005501425 557658372 /nfs/dbraw/zinc/65/83/72/557658372.db2.gz ALISKABBZUSMCN-HDFIIFABSA-N 0 0 421.614 5.744 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(OC)cc4)c3c2C1 ZINC000005501432 557658658 /nfs/dbraw/zinc/65/86/58/557658658.db2.gz GFMIPLHRDCWQEM-NLOAGFHQSA-N 0 0 408.571 5.687 50 30 HKEARN CCOc1ccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000005501434 557658569 /nfs/dbraw/zinc/65/85/69/557658569.db2.gz FGALOZAGPVIREO-HDFIIFABSA-N 0 0 422.598 6.077 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4)c3c2C1 ZINC000005501436 557658615 /nfs/dbraw/zinc/65/86/15/557658615.db2.gz OQHYXQUWRVBYLJ-NLOAGFHQSA-N 0 0 408.571 5.687 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000005501438 557658639 /nfs/dbraw/zinc/65/86/39/557658639.db2.gz YPSJJXDQZFBIJS-HURLIOHXSA-N 0 0 423.542 5.587 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4O)c3c2C1 ZINC000005501440 557658674 /nfs/dbraw/zinc/65/86/74/557658674.db2.gz TXEVXFFLNSOMIA-ZXGJNYTGSA-N 0 0 424.570 5.393 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccc4Cl)c3c2C1 ZINC000005501444 557658677 /nfs/dbraw/zinc/65/86/77/557658677.db2.gz FWCCDYQKKNBUFO-ZXGJNYTGSA-N 0 0 412.990 6.332 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccc4OC)c3c2C1 ZINC000005501449 557658631 /nfs/dbraw/zinc/65/86/31/557658631.db2.gz YFFQIVCRXMZMCJ-NLOAGFHQSA-N 0 0 408.571 5.687 50 30 HKEARN CCOc1ccccc1CN=Nc1ncnc2sc3c(c21)C[C@H](C(C)(C)CC)CC3 ZINC000005501452 557658593 /nfs/dbraw/zinc/65/85/93/557658593.db2.gz CQFNDGRHHAUSSP-HDFIIFABSA-N 0 0 422.598 6.077 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1Cl ZINC000005501455 560601181 /nfs/dbraw/zinc/60/11/81/560601181.db2.gz BALNHTQNMRUGBS-UHFFFAOYSA-N 0 0 412.946 5.132 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4)c3c2C1 ZINC000005501479 557658589 /nfs/dbraw/zinc/65/85/89/557658589.db2.gz CTKCKNOJQDHMMV-LQBPLDIWSA-N 0 0 404.583 6.344 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c[nH]c5ccccc45)c3c2C1 ZINC000005501483 557658606 /nfs/dbraw/zinc/65/86/06/557658606.db2.gz FGQDMAGNVNWKAR-GOQVHDTASA-N 0 0 417.582 6.160 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(O)c(OC)c4)c3c2C1 ZINC000005501485 557658561 /nfs/dbraw/zinc/65/85/61/557658561.db2.gz QVFJQIDXJZSOCZ-PZIWGWIQSA-N 0 0 424.570 5.393 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(C(C)C)cc4)c3c2C1 ZINC000005501489 557658565 /nfs/dbraw/zinc/65/85/65/557658565.db2.gz BLIMJBXVGYMQEP-FUSDPXDGSA-N 0 0 420.626 6.802 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc([N-][NH+]=Cc4ccc(N(C)C)cc4)c3c2C1 ZINC000005501495 557658610 /nfs/dbraw/zinc/65/86/10/557658610.db2.gz ALISKABBZUSMCN-MAFAOTQISA-N 0 0 421.614 5.744 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(OC)cc4)c3c2C1 ZINC000005501504 557658628 /nfs/dbraw/zinc/65/86/28/557658628.db2.gz GFMIPLHRDCWQEM-PASSITCSSA-N 0 0 408.571 5.687 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 ZINC000005501509 568965455 /nfs/dbraw/zinc/96/54/55/568965455.db2.gz XRJOZRXYTJVUAZ-UHFFFAOYSA-N 0 0 406.555 5.159 50 30 HKEARN CCOc1ccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000005501511 557658557 /nfs/dbraw/zinc/65/85/57/557658557.db2.gz FGALOZAGPVIREO-MAFAOTQISA-N 0 0 422.598 6.077 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4)c3c2C1 ZINC000005501516 557658552 /nfs/dbraw/zinc/65/85/52/557658552.db2.gz OQHYXQUWRVBYLJ-PASSITCSSA-N 0 0 408.571 5.687 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000005501520 557658646 /nfs/dbraw/zinc/65/86/46/557658646.db2.gz YPSJJXDQZFBIJS-FCUAXUHVSA-N 0 0 423.542 5.587 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc(OC)c4O)c3c2C1 ZINC000005501524 557658573 /nfs/dbraw/zinc/65/85/73/557658573.db2.gz TXEVXFFLNSOMIA-PZIWGWIQSA-N 0 0 424.570 5.393 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005501526 568965374 /nfs/dbraw/zinc/96/53/74/568965374.db2.gz CHHOATJWGHEUKL-UHFFFAOYSA-N 0 0 424.545 5.299 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccc4Cl)c3c2C1 ZINC000005501529 557658691 /nfs/dbraw/zinc/65/86/91/557658691.db2.gz FWCCDYQKKNBUFO-PZIWGWIQSA-N 0 0 412.990 6.332 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccc4OC)c3c2C1 ZINC000005501535 557658635 /nfs/dbraw/zinc/65/86/35/557658635.db2.gz YFFQIVCRXMZMCJ-PASSITCSSA-N 0 0 408.571 5.687 50 30 HKEARN CCOc1ccccc1CN=Nc1ncnc2sc3c(c21)C[C@@H](C(C)(C)CC)CC3 ZINC000005501540 557658623 /nfs/dbraw/zinc/65/86/23/557658623.db2.gz CQFNDGRHHAUSSP-MAFAOTQISA-N 0 0 422.598 6.077 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 ZINC000005504605 560598648 /nfs/dbraw/zinc/59/86/48/560598648.db2.gz MITXQQZILNFWJH-QFIPXVFZSA-N 0 0 418.880 5.643 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 ZINC000005504607 560598681 /nfs/dbraw/zinc/59/86/81/560598681.db2.gz MITXQQZILNFWJH-JOCHJYFZSA-N 0 0 418.880 5.643 50 30 HKEARN Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000005504831 560598657 /nfs/dbraw/zinc/59/86/57/560598657.db2.gz NFJCTVMOXMENIW-XMMPIXPASA-N 0 0 411.549 6.178 50 30 HKEARN Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000005504833 560598652 /nfs/dbraw/zinc/59/86/52/560598652.db2.gz NFJCTVMOXMENIW-DEOSSOPVSA-N 0 0 411.549 6.178 50 30 HKEARN CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005509615 560600928 /nfs/dbraw/zinc/60/09/28/560600928.db2.gz UWRUCZQYJFUDST-UHFFFAOYSA-N 0 0 411.328 5.552 50 30 HKEARN COC(=O)c1c(N=CC2=CC(=[NH+][N-]c3ccccc3)C=CC2=O)sc2c1CCC2 ZINC000005511257 560601154 /nfs/dbraw/zinc/60/11/54/560601154.db2.gz JOYNTCNCDSYORA-JLUADYMRSA-N 0 0 405.479 5.895 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2cccs2)c2cccs2)c([N+](=O)[O-])c1 ZINC000005514099 560603613 /nfs/dbraw/zinc/60/36/13/560603613.db2.gz PXWNEGDZRQSNND-RXGUJCRQSA-N 0 0 400.441 5.156 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000005515201 557659014 /nfs/dbraw/zinc/65/90/14/557659014.db2.gz UOYIJCNPGHBBEP-IZZDOVSWSA-N 0 0 403.787 6.442 50 30 HKEARN O=C(/C=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccccc1 ZINC000005515456 557659064 /nfs/dbraw/zinc/65/90/64/557659064.db2.gz SFFSJLHWUUOVLY-DHZHZOJOSA-N 0 0 403.787 6.442 50 30 HKEARN O=C(/C=C/c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000005515461 560603598 /nfs/dbraw/zinc/60/35/98/560603598.db2.gz NWEYUEMMPMPAMC-ZHACJKMWSA-N 0 0 403.787 6.442 50 30 HKEARN CC(C)n1cc(CN=Nc2ncnc3scc(-c4ccccc4)c32)c2ccccc21 ZINC000005516566 560604508 /nfs/dbraw/zinc/60/45/08/560604508.db2.gz UJANEOQAVHISRO-KKMKTNMSSA-N 0 0 411.534 6.340 50 30 HKEARN O=C(C/C=N/OCc1c(Cl)cccc1Cl)c1cnc(-c2ccccc2)s1 ZINC000005516914 560604502 /nfs/dbraw/zinc/60/45/02/560604502.db2.gz KNPLWQIDOMNDFF-AUEPDCJTSA-N 0 0 405.306 5.892 50 30 HKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005524794 560604872 /nfs/dbraw/zinc/60/48/72/560604872.db2.gz FIJMGPLZXVFCRB-HSZRJFAPSA-N 0 0 413.521 5.390 50 30 HKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005524797 560604911 /nfs/dbraw/zinc/60/49/11/560604911.db2.gz FIJMGPLZXVFCRB-QHCPKHFHSA-N 0 0 413.521 5.390 50 30 HKEARN COc1ccc(C(=O)C#Cc2ccccc2)c2c(OC(=O)c3ccccc3)cccc12 ZINC000005526801 560627029 /nfs/dbraw/zinc/62/70/29/560627029.db2.gz KRQOAWMCRRGCSU-UHFFFAOYSA-N 0 0 406.437 5.302 50 30 biogenic HKEARN COc1ccc(/C(=N\OCc2ccccc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526821 560605016 /nfs/dbraw/zinc/60/50/16/560605016.db2.gz JVSYDQRQIKCCBM-PXDGOAOJSA-N 0 0 401.462 5.149 50 30 HKEARN COc1ccc(/C(=N\OCc2ccccc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526822 560605049 /nfs/dbraw/zinc/60/50/49/560605049.db2.gz JVSYDQRQIKCCBM-RCBBEWTMSA-N 0 0 401.462 5.149 50 30 HKEARN COc1ccc(/C(=N\OCc2ccccc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526823 560605057 /nfs/dbraw/zinc/60/50/57/560605057.db2.gz JVSYDQRQIKCCBM-HCCLRVHPSA-N 0 0 401.462 5.149 50 30 HKEARN COc1ccc(/C(=N\OCc2ccccc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526824 560605116 /nfs/dbraw/zinc/60/51/16/560605116.db2.gz JVSYDQRQIKCCBM-LMBAVIPZSA-N 0 0 401.462 5.149 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@H]2C[C@H]2c2ccc(OC)cc2)cc1 ZINC000005527068 560605111 /nfs/dbraw/zinc/60/51/11/560605111.db2.gz JCTNEVXAUVWPEL-KOYYFNRMSA-N 0 0 401.462 5.069 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 ZINC000005527075 560605095 /nfs/dbraw/zinc/60/50/95/560605095.db2.gz JCTNEVXAUVWPEL-BGEKPKEUSA-N 0 0 401.462 5.069 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@@H]2C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000005527104 560605084 /nfs/dbraw/zinc/60/50/84/560605084.db2.gz JCTNEVXAUVWPEL-HPLNABNRSA-N 0 0 401.462 5.069 50 30 HKEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 ZINC000005529348 557659807 /nfs/dbraw/zinc/65/98/07/557659807.db2.gz FRFUEKVYYSANGX-ZHZULCJRSA-N 0 0 407.926 5.585 50 30 HKEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000005529745 560605855 /nfs/dbraw/zinc/60/58/55/560605855.db2.gz OKLHEIUDYBQWMT-JCMHNJIXSA-N 0 0 416.502 5.166 50 30 HKEARN Cc1ccc(OCC(=NOC(=O)Nc2cccc(Cl)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000005539289 560606512 /nfs/dbraw/zinc/60/65/12/560606512.db2.gz VJDSIXKOGJGVOR-NKFKGCMQSA-N 0 0 419.865 5.586 50 30 HKEARN COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005540803 560607307 /nfs/dbraw/zinc/60/73/07/560607307.db2.gz AVRLGHHVAPJSTH-AGIZDPOVSA-N 0 0 419.908 6.022 50 30 HKEARN COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005540810 560607278 /nfs/dbraw/zinc/60/72/78/560607278.db2.gz AVRLGHHVAPJSTH-MIHXGWCRSA-N 0 0 419.908 6.022 50 30 HKEARN COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005540816 560607262 /nfs/dbraw/zinc/60/72/62/560607262.db2.gz AVRLGHHVAPJSTH-UXHOKJDVSA-N 0 0 419.908 6.022 50 30 HKEARN COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005540821 560607326 /nfs/dbraw/zinc/60/73/26/560607326.db2.gz AVRLGHHVAPJSTH-RFHOTIDYSA-N 0 0 419.908 6.022 50 30 HKEARN COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005541198 560607285 /nfs/dbraw/zinc/60/72/85/560607285.db2.gz ZXOATCSQKGNJET-MBEXHQGOSA-N 0 0 405.925 6.382 50 30 HKEARN COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005541200 560607274 /nfs/dbraw/zinc/60/72/74/560607274.db2.gz ZXOATCSQKGNJET-AXJHWPGZSA-N 0 0 405.925 6.382 50 30 HKEARN COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005541204 560607317 /nfs/dbraw/zinc/60/73/17/560607317.db2.gz ZXOATCSQKGNJET-QSGOCRTASA-N 0 0 405.925 6.382 50 30 HKEARN COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005541209 560607260 /nfs/dbraw/zinc/60/72/60/560607260.db2.gz ZXOATCSQKGNJET-LUODXLLQSA-N 0 0 405.925 6.382 50 30 HKEARN Cc1cc2nc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)oc2cc1C ZINC000005541727 560607295 /nfs/dbraw/zinc/60/72/95/560607295.db2.gz AKAYUEOHTHEVSO-RQPDZZTRSA-N 0 0 413.433 6.141 50 30 HKEARN Cc1ccc(O)c(/C(=N/N=C(\c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 ZINC000005541843 569021481 /nfs/dbraw/zinc/02/14/81/569021481.db2.gz TUSILHZLNBZLSA-QAVVBOBSSA-N 0 0 420.512 6.005 50 30 HKEARN Cc1ccc(/C(=N/N=C(\c2ccccc2)c2ccc(C)cc2O)c2ccccc2)c(O)c1 ZINC000005542503 569021478 /nfs/dbraw/zinc/02/14/78/569021478.db2.gz YVLDKMNHKDTCCC-QAVVBOBSSA-N 0 0 420.512 6.005 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccccc2Cl)o1 ZINC000005543119 560607437 /nfs/dbraw/zinc/60/74/37/560607437.db2.gz JUNGSLVPVISWEU-PKNBQFBNSA-N 0 0 409.268 7.410 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000005543122 560607425 /nfs/dbraw/zinc/60/74/25/560607425.db2.gz JTGFSOZNHSYUQT-CSKARUKUSA-N 0 0 409.268 7.410 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000005543125 560607439 /nfs/dbraw/zinc/60/74/39/560607439.db2.gz GFBQDYVRKICYFM-PKNBQFBNSA-N 0 0 409.268 7.410 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2ccc(F)cc2)o1 ZINC000005543130 560607426 /nfs/dbraw/zinc/60/74/26/560607426.db2.gz YKMSMPJZRGIFTR-PKNBQFBNSA-N 0 0 403.365 6.150 50 30 HKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1 ZINC000005543142 560607438 /nfs/dbraw/zinc/60/74/38/560607438.db2.gz XJVYZHAVCKWULX-PKNBQFBNSA-N 0 0 402.877 7.373 50 30 HKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1Cl ZINC000005543146 560607417 /nfs/dbraw/zinc/60/74/17/560607417.db2.gz HAKZZAKQSWVQEI-CSKARUKUSA-N 0 0 406.840 7.204 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccccc2Cl)o1 ZINC000005543151 560607423 /nfs/dbraw/zinc/60/74/23/560607423.db2.gz IJFLAWXPKWEZBO-PKNBQFBNSA-N 0 0 409.268 7.410 50 30 HKEARN C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000005544603 560607483 /nfs/dbraw/zinc/60/74/83/560607483.db2.gz HJYHIVDEGRQUQZ-VDBMQTAQSA-N 0 0 415.876 6.817 50 30 HKEARN CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(C(C)C)cc2)S1 ZINC000005546175 560607640 /nfs/dbraw/zinc/60/76/40/560607640.db2.gz JQVRCJWPZWKISA-LWROZRRASA-N 0 0 423.582 5.153 50 30 HKEARN CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(C(C)C)cc2)S1 ZINC000005546178 560607653 /nfs/dbraw/zinc/60/76/53/560607653.db2.gz JQVRCJWPZWKISA-NJRDNMGOSA-N 0 0 423.582 5.153 50 30 HKEARN CCOC(=O)/C=C/c1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000005546196 560607619 /nfs/dbraw/zinc/60/76/19/560607619.db2.gz KCVVHJMNQNZXEE-JUKXXBMLSA-N 0 0 406.865 6.072 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000005547738 560607757 /nfs/dbraw/zinc/60/77/57/560607757.db2.gz CTSARLXLZPKXPE-JXMROGBWSA-N 0 0 406.787 6.524 50 30 HKEARN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 ZINC000005551059 560608517 /nfs/dbraw/zinc/60/85/17/560608517.db2.gz LSVSIEZLTACKFE-WQRHYEAKSA-N 0 0 405.350 6.228 50 30 HKEARN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 ZINC000005551123 560608495 /nfs/dbraw/zinc/60/84/95/560608495.db2.gz ATNPQLHNBPJKMK-AQTBWJFISA-N 0 0 415.356 5.683 50 30 HKEARN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 ZINC000005551168 560608464 /nfs/dbraw/zinc/60/84/64/560608464.db2.gz YISZMNYNUKVLKQ-AQTBWJFISA-N 0 0 415.356 5.683 50 30 HKEARN CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000005555192 560608998 /nfs/dbraw/zinc/60/89/98/560608998.db2.gz VHMBDRJJLHEGJK-DHZHZOJOSA-N 0 0 401.289 6.937 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000005555357 560609040 /nfs/dbraw/zinc/60/90/40/560609040.db2.gz IPRIEITZVJIMFM-RGEXLXHISA-N 0 0 400.390 5.168 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000005555359 560609041 /nfs/dbraw/zinc/60/90/41/560609041.db2.gz HCMHZYKTILSKPS-XLNRJJMWSA-N 0 0 411.501 6.557 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 ZINC000005555390 560609043 /nfs/dbraw/zinc/60/90/43/560609043.db2.gz FTZMOZCDVJZZSN-HMMYKYKNSA-N 0 0 415.445 5.277 50 30 biogenic HKEARN COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000005555392 560609018 /nfs/dbraw/zinc/60/90/18/560609018.db2.gz GJWSRBHOPOVHAO-CJLVFECKSA-N 0 0 413.473 6.047 50 30 biogenic HKEARN COc1ccccc1/C=C(\C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 ZINC000005555393 560609016 /nfs/dbraw/zinc/60/90/16/560609016.db2.gz YZNQVWVHXPGDRZ-LTGZKZEYSA-N 0 0 413.473 6.047 50 30 biogenic HKEARN CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1 ZINC000005555612 560609032 /nfs/dbraw/zinc/60/90/32/560609032.db2.gz HKNCDTMWMGALIK-FYWRMAATSA-N 0 0 404.462 5.808 50 30 HKEARN Cc1ccc(C[C@H]2S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005555619 560609059 /nfs/dbraw/zinc/60/90/59/560609059.db2.gz RQXNBRLBEXWBPL-LEMNQXRHSA-N 0 0 400.547 5.991 50 30 HKEARN C=C(C)CSc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CC(C)(C)OC3 ZINC000005555676 568965531 /nfs/dbraw/zinc/96/55/31/568965531.db2.gz XPJINEYSLFHTDY-UHFFFAOYSA-N 0 0 400.573 5.013 50 30 HKEARN C=C(C)COc1ccc(-c2ncncc2Oc2ccccc2Br)c(O)c1 ZINC000005555880 560608995 /nfs/dbraw/zinc/60/89/95/560608995.db2.gz IBOAIPIXEBZREZ-UHFFFAOYSA-N 0 0 413.271 5.359 50 30 HKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000005565182 557662417 /nfs/dbraw/zinc/66/24/17/557662417.db2.gz LBLIVNXQJZLMPE-JOCHJYFZSA-N 0 0 417.436 5.007 50 30 HKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005565184 557662307 /nfs/dbraw/zinc/66/23/07/557662307.db2.gz LBLIVNXQJZLMPE-QFIPXVFZSA-N 0 0 417.436 5.007 50 30 HKEARN Cc1ccc(-c2cs/c(=N/N=C/c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000005571000 557662664 /nfs/dbraw/zinc/66/26/64/557662664.db2.gz AYHWCRGGRWJGMP-CXQGTLGOSA-N 0 0 413.502 5.178 50 30 HKEARN Fc1ccccc1-c1ccc(CN=Nc2ncnc3scc(-c4ccccc4)c32)o1 ZINC000005575820 560624508 /nfs/dbraw/zinc/62/45/08/560624508.db2.gz PTOBKEBDRRUZNS-KKMKTNMSSA-N 0 0 414.465 6.203 50 30 HKEARN CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000005582821 560625652 /nfs/dbraw/zinc/62/56/52/560625652.db2.gz ZDWWQQXXGWLFMH-OJRHLSPFSA-N 0 0 401.550 5.577 50 30 HKEARN CCN(CC)c1ccc(/C=C2\CCC/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000005585349 569255829 /nfs/dbraw/zinc/25/58/29/569255829.db2.gz LIFWPLOFXPGAJJ-FXYBLIFYSA-N 0 0 416.609 6.599 50 30 HKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)c1ccc(F)cc1 ZINC000005589094 560627080 /nfs/dbraw/zinc/62/70/80/560627080.db2.gz YSGXNSMMBQUQNC-UHFFFAOYSA-N 0 0 406.526 5.535 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(F)cc2)nc2c(c1-c1cccnc1)CCCC2 ZINC000005589245 560627148 /nfs/dbraw/zinc/62/71/48/560627148.db2.gz YQPHWWNWJXLAPM-UHFFFAOYSA-N 0 0 403.482 5.008 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000005589502 560627108 /nfs/dbraw/zinc/62/71/08/560627108.db2.gz UQNBLTBLPQKNME-WRXKNHJISA-N 0 0 411.932 7.063 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000005589503 560627105 /nfs/dbraw/zinc/62/71/05/560627105.db2.gz UQNBLTBLPQKNME-MSQOKPTJSA-N 0 0 411.932 7.063 50 30 HKEARN Fc1ccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000005590001 557663653 /nfs/dbraw/zinc/66/36/53/557663653.db2.gz LOMOIMCHDBFEEE-OQIFMASLSA-N 0 0 407.901 5.933 50 30 HKEARN CCOc1ccc(CN=Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000005593035 557663831 /nfs/dbraw/zinc/66/38/31/557663831.db2.gz LQPCQQBVAODROJ-OPEKNORGSA-N 0 0 408.914 5.856 50 30 HKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000005595980 557664287 /nfs/dbraw/zinc/66/42/87/557664287.db2.gz IQMLANAXDDZCPL-JOCHJYFZSA-N 0 0 417.892 5.161 50 30 HKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000005595981 557664329 /nfs/dbraw/zinc/66/43/29/557664329.db2.gz IQMLANAXDDZCPL-QFIPXVFZSA-N 0 0 417.892 5.161 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005595996 558483102 /nfs/dbraw/zinc/48/31/02/558483102.db2.gz LQDOMKAKGYLWNE-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000005595997 558483123 /nfs/dbraw/zinc/48/31/23/558483123.db2.gz LQDOMKAKGYLWNE-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000005602583 557664786 /nfs/dbraw/zinc/66/47/86/557664786.db2.gz QYIMABHCVGWZOK-MQLVQPQLSA-N 0 0 402.546 5.621 50 30 biogenic HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005603226 560629648 /nfs/dbraw/zinc/62/96/48/560629648.db2.gz RQEWRYQOOFWXPO-JOCHJYFZSA-N 0 0 419.475 5.660 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005603227 560629607 /nfs/dbraw/zinc/62/96/07/560629607.db2.gz RQEWRYQOOFWXPO-QFIPXVFZSA-N 0 0 419.475 5.660 50 30 HKEARN Clc1cc(/N=C/c2ccccc2OCc2ccccc2)ccc1Br ZINC000005603461 557664738 /nfs/dbraw/zinc/66/47/38/557664738.db2.gz OSCHCNVXXYKFCW-YDZHTSKRSA-N 0 0 400.703 6.432 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005603586 568452070 /nfs/dbraw/zinc/45/20/70/568452070.db2.gz NUYWIYCVSFSVOV-IZZDOVSWSA-N 0 0 409.533 5.631 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1N1CCCCC1 ZINC000005604488 557664922 /nfs/dbraw/zinc/66/49/22/557664922.db2.gz TXGLCMHLQOZAMW-UHFFFAOYSA-N 0 0 418.338 6.040 50 30 HKEARN C=CCN(c1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc2ccccc21 ZINC000005605930 568965589 /nfs/dbraw/zinc/96/55/89/568965589.db2.gz KHLMRXIKNRSDFW-UHFFFAOYSA-N 0 0 410.498 6.394 50 30 HKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(SC)cc2)ccc1O ZINC000005608016 560629957 /nfs/dbraw/zinc/62/99/57/560629957.db2.gz RDPKDSMZEWXERV-BUVRLJJBSA-N 0 0 403.507 5.578 50 30 HKEARN CCCCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c2c(c1C#N)CCCC2 ZINC000005608312 560628929 /nfs/dbraw/zinc/62/89/29/560628929.db2.gz KYHDFAPWVAJYAU-UHFFFAOYSA-N 0 0 412.555 5.417 50 30 HKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc1 ZINC000005610832 560630216 /nfs/dbraw/zinc/63/02/16/560630216.db2.gz SYUSZWJTKHNICD-XLNRJJMWSA-N 0 0 415.464 6.569 50 30 HKEARN CN(C)c1ccc(C=[NH+][N-]c2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000005611180 557665135 /nfs/dbraw/zinc/66/51/35/557665135.db2.gz LHDPLYGZQZZWBE-OPEKNORGSA-N 0 0 407.930 5.524 50 30 HKEARN C=CCn1c(/C=C/c2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000005613164 560630816 /nfs/dbraw/zinc/63/08/16/560630816.db2.gz UTHVETAPJRKJBX-PKNBQFBNSA-N 0 0 402.350 6.234 50 30 HKEARN CC/C(=N\Nc1nc(-c2cc3cc(OC)ccc3oc2=O)cs1)c1ccc(C)cc1 ZINC000005614156 560630935 /nfs/dbraw/zinc/63/09/35/560630935.db2.gz CNLCKYYCIZFXKQ-NCELDCMTSA-N 0 0 419.506 5.460 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000005614351 560631029 /nfs/dbraw/zinc/63/10/29/560631029.db2.gz GKIZGTBIWILMLC-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000005614386 560631021 /nfs/dbraw/zinc/63/10/21/560631021.db2.gz GKIZGTBIWILMLC-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000005614593 560630980 /nfs/dbraw/zinc/63/09/80/560630980.db2.gz HMGGAVOWLCZFLZ-OAHLLOKOSA-N 0 0 411.596 5.288 50 30 HKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000005614612 560630969 /nfs/dbraw/zinc/63/09/69/560630969.db2.gz HMGGAVOWLCZFLZ-HNNXBMFYSA-N 0 0 411.596 5.288 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000005617809 560630727 /nfs/dbraw/zinc/63/07/27/560630727.db2.gz XJMKIAPMRVSEDQ-RFHOTIDYSA-N 0 0 403.453 5.508 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000005617817 560630736 /nfs/dbraw/zinc/63/07/36/560630736.db2.gz XJMKIAPMRVSEDQ-MIHXGWCRSA-N 0 0 403.453 5.508 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000005617843 560630719 /nfs/dbraw/zinc/63/07/19/560630719.db2.gz XJMKIAPMRVSEDQ-UXHOKJDVSA-N 0 0 403.453 5.508 50 30 HKEARN COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 ZINC000005617851 560630701 /nfs/dbraw/zinc/63/07/01/560630701.db2.gz XJMKIAPMRVSEDQ-AGIZDPOVSA-N 0 0 403.453 5.508 50 30 HKEARN C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)no1 ZINC000005621308 560632637 /nfs/dbraw/zinc/63/26/37/560632637.db2.gz BXPXBKMUXPHJIP-BHGWPJFGSA-N 0 0 408.763 5.595 50 30 HKEARN CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N/OCc1ccc(Cl)cc1Cl ZINC000005632332 560634916 /nfs/dbraw/zinc/63/49/16/560634916.db2.gz DODCKOZFBJZDHC-RELWKKBWSA-N 0 0 411.285 5.899 50 30 HKEARN C=CCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000005638988 568965639 /nfs/dbraw/zinc/96/56/39/568965639.db2.gz BMBONDGAUXXBCE-UHFFFAOYSA-N 0 0 409.338 5.102 50 30 HKEARN CC(=O)N(c1nc(CSc2nc(C)cc(C)c2C#N)cs1)c1ccccc1F ZINC000005641588 560636141 /nfs/dbraw/zinc/63/61/41/560636141.db2.gz FJMNPEDQIJVGSS-UHFFFAOYSA-N 0 0 412.515 5.143 50 30 HKEARN CCOc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1 ZINC000005641967 560635908 /nfs/dbraw/zinc/63/59/08/560635908.db2.gz KCPQJMVCEMXXJP-JOCHJYFZSA-N 0 0 417.534 5.441 50 30 HKEARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1 ZINC000005641972 560635922 /nfs/dbraw/zinc/63/59/22/560635922.db2.gz KCPQJMVCEMXXJP-QFIPXVFZSA-N 0 0 417.534 5.441 50 30 HKEARN CCOc1cc(C=NNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000005652021 560636612 /nfs/dbraw/zinc/63/66/12/560636612.db2.gz BPZLIBTUJYBOBN-WGOQTCKBSA-N 0 0 417.509 5.166 50 30 HKEARN CCCC[S@@](=O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000005655467 560637291 /nfs/dbraw/zinc/63/72/91/560637291.db2.gz WKMMADHNFLULAF-MHZLTWQESA-N 0 0 412.605 5.947 50 30 HKEARN CCCC[S@](=O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000005655501 560637246 /nfs/dbraw/zinc/63/72/46/560637246.db2.gz WKMMADHNFLULAF-HHHXNRCGSA-N 0 0 412.605 5.947 50 30 HKEARN CCSCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000005657296 560636937 /nfs/dbraw/zinc/63/69/37/560636937.db2.gz IEDPVRSYCOWNMZ-UHFFFAOYSA-N 0 0 406.576 6.141 50 30 HKEARN CC(C)c1ccccc1-n1c(SCC#N)nnc1-c1ccc(Cl)cc1Cl ZINC000005657465 560636955 /nfs/dbraw/zinc/63/69/55/560636955.db2.gz ZITNMOYDNAUANK-UHFFFAOYSA-N 0 0 403.338 5.980 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCCC[C@@H]3O)n2)cc1 ZINC000005658234 560636985 /nfs/dbraw/zinc/63/69/85/560636985.db2.gz ILJPLOOXDXAIMF-BJKOFHAPSA-N 0 0 416.546 5.691 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCCC[C@H]3O)n2)cc1 ZINC000005658236 560636980 /nfs/dbraw/zinc/63/69/80/560636980.db2.gz ILJPLOOXDXAIMF-DNQXCXABSA-N 0 0 416.546 5.691 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCCC[C@@H]3O)n2)cc1 ZINC000005658237 560636932 /nfs/dbraw/zinc/63/69/32/560636932.db2.gz ILJPLOOXDXAIMF-ZEQRLZLVSA-N 0 0 416.546 5.691 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCCC[C@H]3O)n2)cc1 ZINC000005658239 560636987 /nfs/dbraw/zinc/63/69/87/560636987.db2.gz ILJPLOOXDXAIMF-RPWUZVMVSA-N 0 0 416.546 5.691 50 30 HKEARN C=CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1 ZINC000005659858 568965620 /nfs/dbraw/zinc/96/56/20/568965620.db2.gz GPYVRUBQHKGPFK-DEOSSOPVSA-N 0 0 411.505 5.719 50 30 HKEARN C=CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1 ZINC000005659863 568965653 /nfs/dbraw/zinc/96/56/53/568965653.db2.gz GPYVRUBQHKGPFK-XMMPIXPASA-N 0 0 411.505 5.719 50 30 HKEARN CCc1ccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000005667342 557667467 /nfs/dbraw/zinc/66/74/67/557667467.db2.gz IBUVOJLPDRKBSB-JYSLEBDSSA-N 0 0 406.599 6.241 50 30 HKEARN CCc1ccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000005667347 557667463 /nfs/dbraw/zinc/66/74/63/557667463.db2.gz IBUVOJLPDRKBSB-BLNASNEQSA-N 0 0 406.599 6.241 50 30 HKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005669177 560749309 /nfs/dbraw/zinc/74/93/09/560749309.db2.gz BERGNMUDCSHWHZ-YVLHZVERSA-N 0 0 401.256 5.017 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Nc3ccccc3F)nc12 ZINC000005669693 557667665 /nfs/dbraw/zinc/66/76/65/557667665.db2.gz SQMYSDURSNDKOU-DHRITJCHSA-N 0 0 406.848 5.290 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(OC(=O)/C=C/c3ccccc3)cc2)c(OC)c1 ZINC000005670258 557667634 /nfs/dbraw/zinc/66/76/34/557667634.db2.gz PJTUBLMTDNPHJM-TYLVJTMLSA-N 0 0 414.457 5.219 50 30 HKEARN COc1ccc(/N=C/c2sc3nc4ccccc4c(=O)n3c2-c2ccccc2)cc1 ZINC000005670363 557667644 /nfs/dbraw/zinc/66/76/44/557667644.db2.gz MSGGSOSGGKMHJB-MFKUBSTISA-N 0 0 411.486 5.335 50 30 HKEARN N#Cc1c(F)cccc1Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000005670435 560760610 /nfs/dbraw/zinc/76/06/10/560760610.db2.gz PANHQBXHZOTQAB-UHFFFAOYSA-N 0 0 406.766 6.148 50 30 HKEARN N#CC(C#N)(Cc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000005670655 560773030 /nfs/dbraw/zinc/77/30/30/560773030.db2.gz NPSKQJPKKOHUKE-UHFFFAOYSA-N 0 0 404.606 5.588 50 30 HKEARN COc1ccccc1O/C(=C/c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000005671253 560773016 /nfs/dbraw/zinc/77/30/16/560773016.db2.gz HXNTZOOTENGHTC-RCCKNPSSSA-N 0 0 409.279 5.761 50 30 HKEARN CS/C(=N\c1cc(Cl)c(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1 ZINC000005671329 557667953 /nfs/dbraw/zinc/66/79/53/557667953.db2.gz NDLRTMFHZJPADS-UHFFFAOYSA-N 0 0 408.137 6.081 50 30 HKEARN CSc1ccc(CN=Nc2csc(-c3ccc(Br)cc3)n2)cc1 ZINC000005671343 557667972 /nfs/dbraw/zinc/66/79/72/557667972.db2.gz SQVFMIMYNNEKGF-VXLYETTFSA-N 0 0 404.358 5.741 50 30 HKEARN CSc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000005671348 557667971 /nfs/dbraw/zinc/66/79/71/557667971.db2.gz QPVDPAYIJMIWEL-VXLYETTFSA-N 0 0 404.358 5.741 50 30 HKEARN N#Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000005671925 560773211 /nfs/dbraw/zinc/77/32/11/560773211.db2.gz LKLDSTUBMCRIKL-UHFFFAOYSA-N 0 0 409.367 5.082 50 30 HKEARN COc1cc(C#N)c(NC(=NCc2ccc(Cl)c(Cl)c2)SC)cc1OC ZINC000005675320 560775622 /nfs/dbraw/zinc/77/56/22/560775622.db2.gz IAENILYRZILAEP-UHFFFAOYSA-N 0 0 410.326 5.023 50 30 HKEARN COc1cc(/C=N/c2nccs2)cc(Br)c1OCc1ccccc1 ZINC000005675457 557668041 /nfs/dbraw/zinc/66/80/41/557668041.db2.gz KSMLQMHUGSXRIB-SRZZPIQSSA-N 0 0 403.301 5.244 50 30 HKEARN O=C(/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000005681083 557668593 /nfs/dbraw/zinc/66/85/93/557668593.db2.gz BJQNTXOUBXPYIU-ATVHPVEESA-N 0 0 404.771 5.998 50 30 HKEARN O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(Br)s1 ZINC000005689673 560785207 /nfs/dbraw/zinc/78/52/07/560785207.db2.gz PEVPGWWSINZLOH-UHFFFAOYSA-N 0 0 400.301 5.231 50 30 HKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005690314 560785070 /nfs/dbraw/zinc/78/50/70/560785070.db2.gz GGDJCUZGARVQRY-QFIPXVFZSA-N 0 0 405.538 6.065 50 30 HKEARN CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000005693210 560627290 /nfs/dbraw/zinc/62/72/90/560627290.db2.gz ATFYWZOHUHGKQV-RIYZIHGNSA-N 0 0 403.394 5.167 50 30 HKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCCCC2 ZINC000005695282 560786181 /nfs/dbraw/zinc/78/61/81/560786181.db2.gz RPBFLTPDYUXCBR-UHFFFAOYSA-N 0 0 412.002 6.338 50 30 HKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccccc2Cl)C12CCCCC2 ZINC000005695285 560786298 /nfs/dbraw/zinc/78/62/98/560786298.db2.gz CVTFRMPZYZYAFQ-UHFFFAOYSA-N 0 0 412.002 6.338 50 30 HKEARN C=CCNc1nc(SCc2ccc(C)cc2)nc2c1sc1nc(C)cc(C)c12 ZINC000005698740 560789560 /nfs/dbraw/zinc/78/95/60/560789560.db2.gz TUPFTIIPSHCZLT-UHFFFAOYSA-N 0 0 406.580 6.055 50 30 HKEARN CCCCCCC12CCC(SOc3ccc(OCC)c(C#N)c3C#N)(CC1)CC2 ZINC000005711665 560832184 /nfs/dbraw/zinc/83/21/84/560832184.db2.gz JAXNSWKOEBGQFD-UHFFFAOYSA-N 0 0 412.599 6.919 50 30 HKEARN CCOc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000005718787 571309008 /nfs/dbraw/zinc/30/90/08/571309008.db2.gz KCQSRWZTGCWXQY-RGVLZGJSSA-N 0 0 402.317 5.417 50 30 HKEARN C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N/c1cccc2ccccc21 ZINC000005720841 560853835 /nfs/dbraw/zinc/85/38/35/560853835.db2.gz HTLHSSUOOZIHQS-OCOZRVBESA-N 0 0 402.519 5.805 50 30 HKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005724373 560853626 /nfs/dbraw/zinc/85/36/26/560853626.db2.gz AOMRCYKNEXBFFA-UHFFFAOYSA-N 0 0 406.656 5.734 50 30 HKEARN CC(C)c1ns/c(=N\C(=N\c2ccccc2)c2ccccc2)n1Cc1ccccc1 ZINC000005727548 560854449 /nfs/dbraw/zinc/85/44/49/560854449.db2.gz QEFMHEDYWBJYDB-BTHHAUNMSA-N 0 0 412.562 5.796 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccccc1 ZINC000005727707 560854695 /nfs/dbraw/zinc/85/46/95/560854695.db2.gz AJRRLXHGHJORHD-SANMLTNESA-N 0 0 422.528 6.140 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccccc1 ZINC000005727713 560854663 /nfs/dbraw/zinc/85/46/63/560854663.db2.gz AJRRLXHGHJORHD-AREMUKBSSA-N 0 0 422.528 6.140 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005727965 557671382 /nfs/dbraw/zinc/67/13/82/557671382.db2.gz LHYRKZWPBIMOLJ-FQEVSTJZSA-N 0 0 410.514 5.130 50 30 HKEARN Fc1ccc(/C=N/N(c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)cc1 ZINC000005737289 557671749 /nfs/dbraw/zinc/67/17/49/557671749.db2.gz BMTCWBQUDPNWEM-AFUMVMLFSA-N 0 0 407.901 6.775 50 30 HKEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000005738387 557672071 /nfs/dbraw/zinc/67/20/71/557672071.db2.gz PDELRUUPPXBMPP-SRZZPIQSSA-N 0 0 407.326 5.212 50 30 HKEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000005738735 560861790 /nfs/dbraw/zinc/86/17/90/560861790.db2.gz WHXYRHUKHGMFFF-LIQAOFCOSA-N 0 0 401.535 5.474 50 30 HKEARN CO/N=C(/CSc1ccccc1C(=O)OC)c1sc(-c2ccccc2)nc1C ZINC000005749368 560869541 /nfs/dbraw/zinc/86/95/41/560869541.db2.gz VEEGVTZCOOIQSA-QJOMJCCJSA-N 0 0 412.536 5.048 50 30 HKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005751302 560883489 /nfs/dbraw/zinc/88/34/89/560883489.db2.gz VLWTZCAISCKMJP-HXUWFJFHSA-N 0 0 407.514 5.582 50 30 HKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005751304 560883494 /nfs/dbraw/zinc/88/34/94/560883494.db2.gz VLWTZCAISCKMJP-FQEVSTJZSA-N 0 0 407.514 5.582 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000005751307 560883575 /nfs/dbraw/zinc/88/35/75/560883575.db2.gz VBBMGKSXUZMDLM-QFIPXVFZSA-N 0 0 403.913 5.707 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000005751309 560883613 /nfs/dbraw/zinc/88/36/13/560883613.db2.gz VBBMGKSXUZMDLM-JOCHJYFZSA-N 0 0 403.913 5.707 50 30 HKEARN 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@]12C ZINC000005758789 557673322 /nfs/dbraw/zinc/67/33/22/557673322.db2.gz YIKKMWSQVKJCOP-ABXCMAEBSA-N 0 0 400.647 6.568 50 30 endogenous,in-man HKEARN N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000005772533 568484914 /nfs/dbraw/zinc/48/49/14/568484914.db2.gz FDGJITHWZJLLDK-CVXQDMMISA-N 0 0 417.534 5.526 50 30 HKEARN CCCCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCCC)cc2)cc1 ZINC000005782676 568719701 /nfs/dbraw/zinc/71/97/01/568719701.db2.gz HMWUYNPFJZLLSL-GPAWKIAZSA-N 0 0 408.586 7.058 50 30 HKEARN Cc1ccc(NC(=NC2CCCC2)C(=NC2CCCC2)Nc2ccc(C)cc2)cc1 ZINC000005784013 557674190 /nfs/dbraw/zinc/67/41/90/557674190.db2.gz RNTXSOMWRPLYSJ-UHFFFAOYSA-N 0 0 402.586 6.510 50 30 HKEARN c1ccc(NC(=NC2CCCCC2)C(=NC2CCCCC2)Nc2ccccc2)cc1 ZINC000005785595 557674385 /nfs/dbraw/zinc/67/43/85/557674385.db2.gz KDHCTAVDCATQIA-UHFFFAOYSA-N 0 0 402.586 6.673 50 30 HKEARN C=CCNc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)s1 ZINC000005785796 568733372 /nfs/dbraw/zinc/73/33/72/568733372.db2.gz ODZIKYBCIHPNET-UHFFFAOYSA-N 0 0 412.565 5.058 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccccc3)cc2)NC(=S)N1 ZINC000005787868 568733152 /nfs/dbraw/zinc/73/31/52/568733152.db2.gz MRNYJSSPXZGHHV-QFIPXVFZSA-N 0 0 400.503 5.155 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccccc3)cc2)NC(=S)N1 ZINC000005787870 568733235 /nfs/dbraw/zinc/73/32/35/568733235.db2.gz MRNYJSSPXZGHHV-JOCHJYFZSA-N 0 0 400.503 5.155 50 30 HKEARN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1CC ZINC000005792230 568733966 /nfs/dbraw/zinc/73/39/66/568733966.db2.gz KIRGSLBBEMBQPU-DZHGSHHNSA-N 0 0 405.926 5.199 50 30 HKEARN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2C)NC1=O ZINC000005793311 557674809 /nfs/dbraw/zinc/67/48/09/557674809.db2.gz PTWOVDQDWXRLHU-HZHRSRAPSA-N 0 0 416.546 6.137 50 30 HKEARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 ZINC000005794872 568734232 /nfs/dbraw/zinc/73/42/32/568734232.db2.gz CQJWIQBQKRYHOA-UHFFFAOYSA-N 0 0 412.002 6.338 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000005794897 568965742 /nfs/dbraw/zinc/96/57/42/568965742.db2.gz GIQVPKVSCFNYCJ-XSFVSMFZSA-N 0 0 417.559 5.235 50 30 HKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)c1 ZINC000005797074 568734214 /nfs/dbraw/zinc/73/42/14/568734214.db2.gz QJWPUJJCFCSLNA-NDENLUEZSA-N 0 0 408.910 6.108 50 30 HKEARN Cc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005797088 568734159 /nfs/dbraw/zinc/73/41/59/568734159.db2.gz RJDHQSAWGFQPLZ-HYARGMPZSA-N 0 0 401.535 5.603 50 30 HKEARN Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000005797397 568734458 /nfs/dbraw/zinc/73/44/58/568734458.db2.gz QBASJMPBROYZJY-OEAKJJBVSA-N 0 0 415.562 5.911 50 30 HKEARN Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4cccc(C)c4)NC3=O)cc2)c1 ZINC000005797624 557675150 /nfs/dbraw/zinc/67/51/50/557675150.db2.gz BIXQGCZPMWIDGP-HZHRSRAPSA-N 0 0 414.530 5.774 50 30 HKEARN Cc1cccc(NC2=NC(=S)N(c3cccc(C(F)(F)F)c3)C23CCCCC3)c1 ZINC000005797706 557675124 /nfs/dbraw/zinc/67/51/24/557675124.db2.gz QOBXVXQAFULFHV-UHFFFAOYSA-N 0 0 417.500 6.141 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccsc2)[C@H]1c1ccccc1 ZINC000005800162 568735481 /nfs/dbraw/zinc/73/54/81/568735481.db2.gz JGXSWBPHCGKRBU-ZLNRFVROSA-N 0 0 407.498 5.032 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005800433 568735453 /nfs/dbraw/zinc/73/54/53/568735453.db2.gz DKSHKRQIPLTVGH-NPMXOYFQSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005800447 568735230 /nfs/dbraw/zinc/73/52/30/568735230.db2.gz DKSHKRQIPLTVGH-IQMFZBJNSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005800451 568735414 /nfs/dbraw/zinc/73/54/14/568735414.db2.gz DKSHKRQIPLTVGH-WNSKOXEYSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000005800457 568735329 /nfs/dbraw/zinc/73/53/29/568735329.db2.gz DKSHKRQIPLTVGH-CMJOXMDJSA-N 0 0 401.422 5.167 50 30 HKEARN O=C1N/C(=N\c2ccc3ccccc3c2)S/C1=C\c1cccc(Br)c1 ZINC000005804718 558646975 /nfs/dbraw/zinc/64/69/75/558646975.db2.gz IVENIWCITULZNM-WQRHYEAKSA-N 0 0 409.308 5.494 50 30 HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 ZINC000005824480 568824227 /nfs/dbraw/zinc/82/42/27/568824227.db2.gz IJIANUKZJZQJBX-WGARJPEWSA-N 0 0 408.453 5.844 50 30 biogenic HKEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000005825014 569072077 /nfs/dbraw/zinc/07/20/77/569072077.db2.gz CUYHULCMILUVSA-HYARGMPZSA-N 0 0 400.935 5.338 50 30 HKEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005825017 569072068 /nfs/dbraw/zinc/07/20/68/569072068.db2.gz XWVPOVYGMMFGRO-HYARGMPZSA-N 0 0 400.935 5.338 50 30 HKEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000005830417 568824730 /nfs/dbraw/zinc/82/47/30/568824730.db2.gz ZRTJUNIYCGQOBX-INIZCTEOSA-N 0 0 413.502 5.165 50 30 HKEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000005830419 568824709 /nfs/dbraw/zinc/82/47/09/568824709.db2.gz ZRTJUNIYCGQOBX-MRXNPFEDSA-N 0 0 413.502 5.165 50 30 HKEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000005830905 568825092 /nfs/dbraw/zinc/82/50/92/568825092.db2.gz CMHBZGOQRKGLKY-HXUWFJFHSA-N 0 0 413.543 5.061 50 30 HKEARN C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000005830910 568825131 /nfs/dbraw/zinc/82/51/31/568825131.db2.gz CMHBZGOQRKGLKY-FQEVSTJZSA-N 0 0 413.543 5.061 50 30 HKEARN CC/[NH+]=C1\C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000005835778 560203438 /nfs/dbraw/zinc/20/34/38/560203438.db2.gz ARNURRQQSTYLEY-SJCQXOIGSA-N 0 0 421.588 6.157 50 30 in-vitro HKEARN COc1ccc(C(=O)COc2ccccc2C=CC(=O)c2cc3ccccc3o2)cc1 ZINC000005836285 568454176 /nfs/dbraw/zinc/45/41/76/568454176.db2.gz CJWBMDXTKNQILJ-NTCAYCPXSA-N 0 0 412.441 5.599 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000005838214 568825460 /nfs/dbraw/zinc/82/54/60/568825460.db2.gz CTRRTORETIZURN-GVMKUJSRSA-N 0 0 410.627 6.316 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000005838605 568825334 /nfs/dbraw/zinc/82/53/34/568825334.db2.gz CTRRTORETIZURN-NGALLESISA-N 0 0 410.627 6.316 50 30 HKEARN COC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccccc1 ZINC000005839784 568825543 /nfs/dbraw/zinc/82/55/43/568825543.db2.gz JCRLKHFEVRVVMW-OEAKJJBVSA-N 0 0 408.527 5.732 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 ZINC000005850893 568825874 /nfs/dbraw/zinc/82/58/74/568825874.db2.gz ONDNHUDKGCKZPU-QFIPXVFZSA-N 0 0 400.503 5.155 50 30 HKEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 ZINC000005850909 568825836 /nfs/dbraw/zinc/82/58/36/568825836.db2.gz ONDNHUDKGCKZPU-JOCHJYFZSA-N 0 0 400.503 5.155 50 30 HKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005854092 568825839 /nfs/dbraw/zinc/82/58/39/568825839.db2.gz HKHOQPGKNZJDFC-YVLHZVERSA-N 0 0 401.256 5.017 50 30 HKEARN Cc1ccccc1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@@]12CCOC(C)(C)C2 ZINC000005854869 568826101 /nfs/dbraw/zinc/82/61/01/568826101.db2.gz HWQDFPNQWKRRGN-JOCHJYFZSA-N 0 0 413.974 5.812 50 30 HKEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005858986 568826040 /nfs/dbraw/zinc/82/60/40/568826040.db2.gz YHTORQHCISDUIE-OYKKKHCWSA-N 0 0 414.457 5.300 50 30 HKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000005860712 568826262 /nfs/dbraw/zinc/82/62/62/568826262.db2.gz UIPMFSCMKAHQIU-UHFFFAOYSA-N 0 0 410.848 5.547 50 30 HKEARN O=C(/C=C/c1ccccc1I)c1cccc(C(F)(F)F)c1 ZINC000005866495 560628426 /nfs/dbraw/zinc/62/84/26/560628426.db2.gz GWAWSHGPECTMNI-CMDGGOBGSA-N 0 0 402.153 5.206 50 30 HKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1ncc(-c2ccccc2)o1 ZINC000005869331 568827217 /nfs/dbraw/zinc/82/72/17/568827217.db2.gz DYNIURMRJXBTLE-UHFFFAOYSA-N 0 0 418.522 5.299 50 30 HKEARN CCOC(=O)Nc1sc(N=NCc2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC000005869926 568827177 /nfs/dbraw/zinc/82/71/77/568827177.db2.gz QYEFPFCAQPVVSI-WSDLNYQXSA-N 0 0 414.918 5.786 50 30 HKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000005872854 568827355 /nfs/dbraw/zinc/82/73/55/568827355.db2.gz ZXRSCJJYQFHSKC-HKWRFOASSA-N 0 0 403.865 6.303 50 30 HKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000005872859 568827407 /nfs/dbraw/zinc/82/74/07/568827407.db2.gz QVDSFNJOPIGVJU-HAVVHWLPSA-N 0 0 411.501 6.773 50 30 HKEARN CCOc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000005872864 568827382 /nfs/dbraw/zinc/82/73/82/568827382.db2.gz IALORWFDUFDTKC-HMMYKYKNSA-N 0 0 414.417 5.558 50 30 HKEARN CCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000005872869 568827441 /nfs/dbraw/zinc/82/74/41/568827441.db2.gz RPWWRJNRDICVPN-HMMYKYKNSA-N 0 0 414.417 5.558 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000005880143 557678720 /nfs/dbraw/zinc/67/87/20/557678720.db2.gz CILWCJWWYJOFTR-QYBDOPJKSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000005880144 557678771 /nfs/dbraw/zinc/67/87/71/557678771.db2.gz CILWCJWWYJOFTR-HFJWLAOPSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000005880159 557678797 /nfs/dbraw/zinc/67/87/97/557678797.db2.gz CILWCJWWYJOFTR-DWXRJYCRSA-N 0 0 414.480 5.814 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000005884331 568828036 /nfs/dbraw/zinc/82/80/36/568828036.db2.gz IGASNRIXGKPJNY-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000005894247 568828427 /nfs/dbraw/zinc/82/84/27/568828427.db2.gz ICCXJMPTVLADAG-FOKLQQMPSA-N 0 0 415.349 6.457 50 30 HKEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc12 ZINC000005894523 568828436 /nfs/dbraw/zinc/82/84/36/568828436.db2.gz SOGZCEOJVQMSAP-UHFFFAOYSA-N 0 0 407.564 5.476 50 30 HKEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000005894602 568828604 /nfs/dbraw/zinc/82/86/04/568828604.db2.gz XCYHPCPNMIYTMJ-ZDLGFXPLSA-N 0 0 406.265 5.450 50 30 HKEARN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)o1 ZINC000005895434 568828579 /nfs/dbraw/zinc/82/85/79/568828579.db2.gz PYNSPEPKYVVTJL-XNTDXEJSSA-N 0 0 410.326 5.324 50 30 HKEARN Cc1cccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000005901031 557679913 /nfs/dbraw/zinc/67/99/13/557679913.db2.gz UPCCRSRCZLSWML-OAQYLSRUSA-N 0 0 416.550 5.360 50 30 HKEARN Cc1cccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000005901034 557679891 /nfs/dbraw/zinc/67/98/91/557679891.db2.gz UPCCRSRCZLSWML-NRFANRHFSA-N 0 0 416.550 5.360 50 30 HKEARN N#CC1(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CCCCC1 ZINC000005901533 568829027 /nfs/dbraw/zinc/82/90/27/568829027.db2.gz ZCCJMYACNQPBJO-UHFFFAOYSA-N 0 0 416.550 5.178 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3c(Cl)cccc3Cl)sc2C1 ZINC000005901748 568828945 /nfs/dbraw/zinc/82/89/45/568828945.db2.gz PTGZQQONFAIFIZ-LLVKDONJSA-N 0 0 407.366 6.330 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3c(Cl)cccc3Cl)sc2C1 ZINC000005902629 568828991 /nfs/dbraw/zinc/82/89/91/568828991.db2.gz PTGZQQONFAIFIZ-NSHDSACASA-N 0 0 407.366 6.330 50 30 HKEARN CN1c2ccccc2C=C/C1=C\C=C(\C(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000005902773 132308457 /nfs/dbraw/zinc/30/84/57/132308457.db2.gz YESFFUZOXTZOML-CAFBOWOJSA-N 0 0 403.485 5.876 50 30 HKEARN CCOc1cc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)ccc1OC(C)C ZINC000005904267 568829030 /nfs/dbraw/zinc/82/90/30/568829030.db2.gz OBQZJIPHBXFWBM-XDHOZWIPSA-N 0 0 416.930 5.418 50 30 HKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 ZINC000005907734 568829315 /nfs/dbraw/zinc/82/93/15/568829315.db2.gz LFDOIAOOTZGKMS-MXAYSNPKSA-N 0 0 412.441 5.209 50 30 biogenic HKEARN C#CC[C@@H](OC(=O)c1ccccc1)c1ccccc1[C@H](CC#C)OC(=O)c1ccccc1 ZINC000005908722 568965929 /nfs/dbraw/zinc/96/59/29/568965929.db2.gz OUYOPDUSQOFYON-WMPKNSHKSA-N 0 0 422.480 5.529 50 30 HKEARN C#CC[C@@H](OC(=O)c1ccccc1)c1ccccc1[C@@H](CC#C)OC(=O)c1ccccc1 ZINC000005908736 568965951 /nfs/dbraw/zinc/96/59/51/568965951.db2.gz OUYOPDUSQOFYON-CLJLJLNGSA-N 0 0 422.480 5.529 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC3CCCCC3)n2)cc1 ZINC000005917743 568829296 /nfs/dbraw/zinc/82/92/96/568829296.db2.gz XQBIDRFAIUYQIK-UHFFFAOYSA-N 0 0 414.574 6.968 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC3CCCCC3)c2C#N)cc1 ZINC000005917773 568829350 /nfs/dbraw/zinc/82/93/50/568829350.db2.gz ZJJMOKVQCVAWQX-UHFFFAOYSA-N 0 0 414.574 6.968 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000005917862 568829468 /nfs/dbraw/zinc/82/94/68/568829468.db2.gz FUYBZKHTRBRBOY-LJQANCHMSA-N 0 0 423.434 6.218 50 30 HKEARN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000005921910 291292414 /nfs/dbraw/zinc/29/24/14/291292414.db2.gz MKGZDUKUQPPHFM-PHEXLZNCSA-N 0 0 410.686 8.009 50 30 biogenic,in-vitro HKEARN C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)OCCC)cc2)c(O)c1 ZINC000005923930 568829743 /nfs/dbraw/zinc/82/97/43/568829743.db2.gz YPAMYMPZYVEJKW-UHFFFAOYSA-N 0 0 408.454 5.096 50 30 HKEARN CSc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 ZINC000005931724 568830110 /nfs/dbraw/zinc/83/01/10/568830110.db2.gz FXVIGUIYDFATFM-XNTDXEJSSA-N 0 0 405.342 5.063 50 30 HKEARN C=CCn1c(SCc2cccc(OC)c2)nc2scc(-c3ccco3)c2c1=O ZINC000005937509 568830840 /nfs/dbraw/zinc/83/08/40/568830840.db2.gz IMPSLANXQMMUII-UHFFFAOYSA-N 0 0 410.520 5.205 50 30 HKEARN Cc1cccc(C)c1NC(=O)O/N=C(\COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005943041 568831328 /nfs/dbraw/zinc/83/13/28/568831328.db2.gz OQLAJFKANZJUDP-NCELDCMTSA-N 0 0 419.437 5.243 50 30 HKEARN FC(F)(F)c1cccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000005944346 568831455 /nfs/dbraw/zinc/83/14/55/568831455.db2.gz MZUOGGYWPDQOLH-KSEXSDGBSA-N 0 0 409.205 6.174 50 30 HKEARN O=C(COc1ccc(/C=N/c2ccc(Br)cc2)cc1)NC1CCCCC1 ZINC000005944574 568831539 /nfs/dbraw/zinc/83/15/39/568831539.db2.gz SQASBVSZMYPQGA-OEAKJJBVSA-N 0 0 415.331 5.027 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1ccccc1 ZINC000005947125 557681970 /nfs/dbraw/zinc/68/19/70/557681970.db2.gz POVXLDJBKICRMC-DHRITJCHSA-N 0 0 415.371 5.639 50 30 HKEARN O=c1oc2ccccc2cc1-c1csc(/N=C/c2c(Cl)cccc2Cl)n1 ZINC000005948941 557682162 /nfs/dbraw/zinc/68/21/62/557682162.db2.gz NTHVKMVJMVWRIY-LSFURLLWSA-N 0 0 401.274 5.974 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c2ccccc2cc2ccccc21 ZINC000005948991 557682248 /nfs/dbraw/zinc/68/22/48/557682248.db2.gz AMZIMPFSBXCNIL-LGJNPRDNSA-N 0 0 409.367 6.366 50 30 HKEARN CC1=C[C@@](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 ZINC000005950476 557682385 /nfs/dbraw/zinc/68/23/85/557682385.db2.gz LSKQOMPXJBWBDX-LQOIVRHRSA-N 0 0 412.471 5.562 50 30 HKEARN CC1=C[C@](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 ZINC000005950491 557682376 /nfs/dbraw/zinc/68/23/76/557682376.db2.gz LSKQOMPXJBWBDX-DOAWATSRSA-N 0 0 412.471 5.562 50 30 HKEARN CCC1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000005950931 568831998 /nfs/dbraw/zinc/83/19/98/568831998.db2.gz XVFBABGUDRHKDC-WJFDJXNHSA-N 0 0 414.633 8.138 50 30 HKEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 ZINC000005959314 568832308 /nfs/dbraw/zinc/83/23/08/568832308.db2.gz OOAHZPGDPZTVEO-CLMGESTGSA-N 0 0 412.441 5.129 50 30 HKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)c1 ZINC000005960643 568832722 /nfs/dbraw/zinc/83/27/22/568832722.db2.gz KOBRNOOUUSRDNA-MXAYSNPKSA-N 0 0 412.441 5.209 50 30 biogenic HKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000005960991 568832746 /nfs/dbraw/zinc/83/27/46/568832746.db2.gz WQQFQDFCLJFCNF-MTJSOVHGSA-N 0 0 406.821 5.184 50 30 biogenic HKEARN COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000005961006 568832730 /nfs/dbraw/zinc/83/27/30/568832730.db2.gz OZRBWRRFGNXCPN-MXAYSNPKSA-N 0 0 412.441 5.209 50 30 biogenic HKEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005966396 568832856 /nfs/dbraw/zinc/83/28/56/568832856.db2.gz FBVHLQSIQNVZDG-JLPGSUDCSA-N 0 0 413.473 5.810 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000005988401 568834384 /nfs/dbraw/zinc/83/43/84/568834384.db2.gz QEIXTWUUHCGFEL-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000005988405 568834429 /nfs/dbraw/zinc/83/44/29/568834429.db2.gz QEIXTWUUHCGFEL-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005988412 568834404 /nfs/dbraw/zinc/83/44/04/568834404.db2.gz XQDQYUNJSATFKB-JOCHJYFZSA-N 0 0 413.429 5.113 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005988415 568834391 /nfs/dbraw/zinc/83/43/91/568834391.db2.gz XQDQYUNJSATFKB-QFIPXVFZSA-N 0 0 413.429 5.113 50 30 HKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006000182 568834753 /nfs/dbraw/zinc/83/47/53/568834753.db2.gz SAEGLRAQWVLSKA-HSZRJFAPSA-N 0 0 419.521 5.281 50 30 HKEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001469 557683640 /nfs/dbraw/zinc/68/36/40/557683640.db2.gz OPDXHSONWSCNQI-GOSISDBHSA-N 0 0 423.582 5.206 50 30 HKEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001896 557683906 /nfs/dbraw/zinc/68/39/06/557683906.db2.gz OPDXHSONWSCNQI-SFHVURJKSA-N 0 0 423.582 5.206 50 30 HKEARN Cc1cc(O)c(C(C)C)cc1NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006023534 568835597 /nfs/dbraw/zinc/83/55/97/568835597.db2.gz LSCJMYWYCYIMRU-UHFFFAOYSA-N 0 0 408.523 5.072 50 30 HKEARN Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c(C(C)C)cc1O ZINC000006023535 568835579 /nfs/dbraw/zinc/83/55/79/568835579.db2.gz TXAJJWOPZWKXPC-UHFFFAOYSA-N 0 0 408.523 5.072 50 30 HKEARN Cc1ccc(S(=O)(=O)N=C(Nc2cc(C)c(O)cc2C(C)C)c2ccccc2)cc1 ZINC000006023540 568835509 /nfs/dbraw/zinc/83/55/09/568835509.db2.gz LUCVWYPYZZRTRU-UHFFFAOYSA-N 0 0 422.550 5.380 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006024138 557684564 /nfs/dbraw/zinc/68/45/64/557684564.db2.gz MPBJVWIDBIOSSR-JOCHJYFZSA-N 0 0 419.452 5.321 50 30 HKEARN CCOc1ccccc1C(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000006024658 568835642 /nfs/dbraw/zinc/83/56/42/568835642.db2.gz OJSPGQGYMFAFJQ-UHFFFAOYSA-N 0 0 401.491 5.041 50 30 HKEARN Cn1c2ccccc2nc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000006025448 557684666 /nfs/dbraw/zinc/68/46/66/557684666.db2.gz LLGMBRWHGXMAME-YZSQISJMSA-N 0 0 404.477 5.143 50 30 HKEARN CC[C@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000006026756 557684667 /nfs/dbraw/zinc/68/46/67/557684667.db2.gz SEOAXOFNMYKLOF-HXUWFJFHSA-N 0 0 406.382 6.204 50 30 HKEARN CC[C@@]1(C)C(Nc2c(C)cccc2C)=NC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000006026780 557684663 /nfs/dbraw/zinc/68/46/63/557684663.db2.gz SEOAXOFNMYKLOF-FQEVSTJZSA-N 0 0 406.382 6.204 50 30 HKEARN Cc1ccc(C)c(-c2csc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C#N)c1 ZINC000006029293 568835469 /nfs/dbraw/zinc/83/54/69/568835469.db2.gz UYYPPEKOMLCYNA-UHFFFAOYSA-N 0 0 404.579 6.449 50 30 HKEARN COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cccs1 ZINC000006035850 568836192 /nfs/dbraw/zinc/83/61/92/568836192.db2.gz YPVBWHMVGDADLO-UHFFFAOYSA-N 0 0 404.520 5.168 50 30 HKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2)c1C#N ZINC000006043728 568979469 /nfs/dbraw/zinc/97/94/69/568979469.db2.gz NZQBGCAZNNPTQR-UHFFFAOYSA-N 0 0 408.526 6.588 50 30 HKEARN COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 ZINC000006045417 560629322 /nfs/dbraw/zinc/62/93/22/560629322.db2.gz DXJCENKUNULODQ-RIYZIHGNSA-N 0 0 416.473 5.265 50 30 HKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 ZINC000006046348 568981410 /nfs/dbraw/zinc/98/14/10/568981410.db2.gz MXZBLOZLLKFSQK-QFIPXVFZSA-N 0 0 402.881 5.518 50 30 HKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 ZINC000006046350 568981341 /nfs/dbraw/zinc/98/13/41/568981341.db2.gz MXZBLOZLLKFSQK-JOCHJYFZSA-N 0 0 402.881 5.518 50 30 HKEARN COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Br)c1O ZINC000006047101 568454829 /nfs/dbraw/zinc/45/48/29/568454829.db2.gz HUOASQCPVYXAND-RUDMXATFSA-N 0 0 419.315 5.484 50 30 HKEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 ZINC000006048372 568454836 /nfs/dbraw/zinc/45/48/36/568454836.db2.gz WRDIHRGWMAJAKM-SDNWHVSQSA-N 0 0 409.272 5.709 50 30 HKEARN O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1OC(F)F ZINC000006048376 560629334 /nfs/dbraw/zinc/62/93/34/560629334.db2.gz USMVUTDHNWYMRC-VOTSOKGWSA-N 0 0 409.162 6.092 50 30 HKEARN O=C(/C=C/c1cccs1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 ZINC000006049448 568997227 /nfs/dbraw/zinc/99/72/27/568997227.db2.gz SLUUCCWITIUPOH-PHEQNACWSA-N 0 0 400.455 6.009 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000006050223 557685432 /nfs/dbraw/zinc/68/54/32/557685432.db2.gz NJLQEOZXLRLTMG-IBGZPJMESA-N 0 0 419.912 5.432 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000006050227 557685449 /nfs/dbraw/zinc/68/54/49/557685449.db2.gz NJLQEOZXLRLTMG-LJQANCHMSA-N 0 0 419.912 5.432 50 30 HKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 ZINC000006050376 568984517 /nfs/dbraw/zinc/98/45/17/568984517.db2.gz GPLLCBCZPUPRHZ-FQEVSTJZSA-N 0 0 410.832 5.250 50 30 HKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 ZINC000006050407 568984616 /nfs/dbraw/zinc/98/46/16/568984616.db2.gz GPLLCBCZPUPRHZ-HXUWFJFHSA-N 0 0 410.832 5.250 50 30 HKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000006050593 560629352 /nfs/dbraw/zinc/62/93/52/560629352.db2.gz WSBYQEVJNUZPHX-AWNIVKPZSA-N 0 0 411.567 5.127 50 30 HKEARN CCCCC1N=NC(=S)N1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006072960 568992865 /nfs/dbraw/zinc/99/28/65/568992865.db2.gz CZQNGVWSGIRUEJ-PCLIKHOPSA-N 0 0 416.550 5.524 50 30 HKEARN CCCC1N=NC(=S)N1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006075964 568992862 /nfs/dbraw/zinc/99/28/62/568992862.db2.gz FKXXNHOHQZYMIT-BUVRLJJBSA-N 0 0 402.523 5.134 50 30 HKEARN COC(=O)c1cc2ccc(/C=C\C#Cc3c(C)cc(C)cc3C)cc2c2ccccc12 ZINC000006076017 568992848 /nfs/dbraw/zinc/99/28/48/568992848.db2.gz RKZSUNRBATZZKT-UITAMQMPSA-N 0 0 404.509 6.770 50 30 HKEARN C=CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccccc1OC ZINC000006076712 568992829 /nfs/dbraw/zinc/99/28/29/568992829.db2.gz OLPLOICMSVZPBG-UHFFFAOYSA-N 0 0 410.524 5.149 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccccc1OC ZINC000006076794 568992823 /nfs/dbraw/zinc/99/28/23/568992823.db2.gz LVVNDASPWBDLOR-MRXNPFEDSA-N 0 0 407.539 5.066 50 30 HKEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccccc1OC ZINC000006076796 568992855 /nfs/dbraw/zinc/99/28/55/568992855.db2.gz LVVNDASPWBDLOR-INIZCTEOSA-N 0 0 407.539 5.066 50 30 HKEARN CC(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006076996 568993013 /nfs/dbraw/zinc/99/30/13/568993013.db2.gz RYGDHXDFGUCNRJ-UHFFFAOYSA-N 0 0 422.937 5.984 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Cl)cc1Cl ZINC000006077144 557686511 /nfs/dbraw/zinc/68/65/11/557686511.db2.gz XTERCXBFWUVQFD-QHCPKHFHSA-N 0 0 423.343 6.851 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C(Br)=Cc1ccccc1 ZINC000006077157 568993119 /nfs/dbraw/zinc/99/31/19/568993119.db2.gz VNVLZAVRMFRLKA-KFGZODLXSA-N 0 0 423.354 5.972 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Cl)cc1Cl ZINC000006077214 557686448 /nfs/dbraw/zinc/68/64/48/557686448.db2.gz XTERCXBFWUVQFD-HSZRJFAPSA-N 0 0 423.343 6.851 50 30 HKEARN C=CCn1c(SCc2ccccc2Br)nnc1-c1ccccc1OC ZINC000006077252 568993082 /nfs/dbraw/zinc/99/30/82/568993082.db2.gz MAOBJBMJOTWXPP-UHFFFAOYSA-N 0 0 416.344 5.195 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2ncccc2c1 ZINC000006078592 557686420 /nfs/dbraw/zinc/68/64/20/557686420.db2.gz XOMITWDDBSHNNB-MWWVQSJNSA-N 0 0 418.547 5.229 50 30 HKEARN COc1ccccc1NC(=O)CNc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006084284 568996961 /nfs/dbraw/zinc/99/69/61/568996961.db2.gz IJBURCVEFFPVFK-IBGZPJMESA-N 0 0 405.885 5.055 50 30 HKEARN COc1ccccc1NC(=O)CNc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006084287 568996977 /nfs/dbraw/zinc/99/69/77/568996977.db2.gz IJBURCVEFFPVFK-LJQANCHMSA-N 0 0 405.885 5.055 50 30 HKEARN O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(F)cc1 ZINC000006084484 568997060 /nfs/dbraw/zinc/99/70/60/568997060.db2.gz YGCUFMMYQGZYSR-VGOFMYFVSA-N 0 0 400.784 5.390 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N ZINC000006089418 568995306 /nfs/dbraw/zinc/99/53/06/568995306.db2.gz NAWOBJXDTUPGFT-OAHLLOKOSA-N 0 0 422.937 5.984 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N ZINC000006089427 568995293 /nfs/dbraw/zinc/99/52/93/568995293.db2.gz NAWOBJXDTUPGFT-HNNXBMFYSA-N 0 0 422.937 5.984 50 30 HKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000006090493 568999199 /nfs/dbraw/zinc/99/91/99/568999199.db2.gz JKLQWFQCOADJOE-CFRMEGHHSA-N 0 0 410.425 5.149 50 30 biogenic HKEARN Clc1ccc(CS/C(Cn2cncn2)=N/c2ccc(Cl)cc2Cl)cc1 ZINC000006092912 557686961 /nfs/dbraw/zinc/68/69/61/557686961.db2.gz AGKSTYPVMZODRV-HAVVHWLPSA-N 0 0 411.745 5.902 50 30 HKEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000006096326 557687012 /nfs/dbraw/zinc/68/70/12/557687012.db2.gz AGLSTAVNMVELAE-LERQAXIQSA-N 0 0 405.310 5.097 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(F)cc1 ZINC000006096962 568966902 /nfs/dbraw/zinc/96/69/02/568966902.db2.gz GBKUBDPCMBFJJL-UHFFFAOYSA-N 0 0 410.518 5.124 50 30 HKEARN N#Cc1cccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 ZINC000006128964 569013283 /nfs/dbraw/zinc/01/32/83/569013283.db2.gz ITDJRGXRUNZWBJ-UHFFFAOYSA-N 0 0 416.481 5.149 50 30 HKEARN Cc1cccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)c1 ZINC000006132000 569014143 /nfs/dbraw/zinc/01/41/43/569014143.db2.gz DUBHLSOYHLJNJM-FQEVSTJZSA-N 0 0 405.457 5.051 50 30 HKEARN Cc1cccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)c1 ZINC000006132001 569014148 /nfs/dbraw/zinc/01/41/48/569014148.db2.gz DUBHLSOYHLJNJM-HXUWFJFHSA-N 0 0 405.457 5.051 50 30 HKEARN O=C1[C@H](Cc2ccccc2)S/C(=N\N=C\c2ccccc2Cl)N1c1ccccc1 ZINC000006142596 569014375 /nfs/dbraw/zinc/01/43/75/569014375.db2.gz UXOQOFUGRCTRLU-QGMMXWGXSA-N 0 0 419.937 5.421 50 30 HKEARN Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/c2ccc(Cl)cc2)cc1 ZINC000006142599 557690491 /nfs/dbraw/zinc/69/04/91/557690491.db2.gz GKTBRCHFSWYZIF-DHRITJCHSA-N 0 0 419.937 5.867 50 30 HKEARN Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/c2cccc(Cl)c2)cc1 ZINC000006142600 569014383 /nfs/dbraw/zinc/01/43/83/569014383.db2.gz GRSSQFXWSSCONX-DHRITJCHSA-N 0 0 419.937 5.867 50 30 HKEARN CN(C)/C=N/c1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000006143178 569014352 /nfs/dbraw/zinc/01/43/52/569014352.db2.gz OORWNGWJCQXNPI-WYMPLXKRSA-N 0 0 418.444 5.303 50 30 HKEARN Fc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(F)cc5)cc4nc3c2)cc1 ZINC000006144483 569014446 /nfs/dbraw/zinc/01/44/46/569014446.db2.gz GVYNWTLXZWVVPJ-RVSCTIAXSA-N 0 0 421.450 7.167 50 30 HKEARN CCN(CC)c1ccc(/C=C2\CCC/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000006146810 569014583 /nfs/dbraw/zinc/01/45/83/569014583.db2.gz LIFWPLOFXPGAJJ-CTWPWMDCSA-N 0 0 416.609 6.599 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006149620 569015031 /nfs/dbraw/zinc/01/50/31/569015031.db2.gz FABDSMWLMZRMSM-OAQYLSRUSA-N 0 0 411.929 5.807 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000006149622 569015024 /nfs/dbraw/zinc/01/50/24/569015024.db2.gz YBMCBMUGSLPCSO-JOCHJYFZSA-N 0 0 407.510 5.162 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000006149625 569014975 /nfs/dbraw/zinc/01/49/75/569014975.db2.gz VHPJJTRGPHPXDW-OAQYLSRUSA-N 0 0 411.929 5.807 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006149633 569015008 /nfs/dbraw/zinc/01/50/08/569015008.db2.gz FABDSMWLMZRMSM-NRFANRHFSA-N 0 0 411.929 5.807 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000006149634 569014995 /nfs/dbraw/zinc/01/49/95/569014995.db2.gz YBMCBMUGSLPCSO-QFIPXVFZSA-N 0 0 407.510 5.162 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl ZINC000006149638 569015029 /nfs/dbraw/zinc/01/50/29/569015029.db2.gz VHPJJTRGPHPXDW-NRFANRHFSA-N 0 0 411.929 5.807 50 30 HKEARN Clc1ccc(-c2csc(N=NCc3cc(Cl)ccc3Cl)n2)c(Cl)c1 ZINC000006149921 569015108 /nfs/dbraw/zinc/01/51/08/569015108.db2.gz TVOOJTSDAPXGGQ-YXSASFKJSA-N 0 0 417.148 6.870 50 30 HKEARN Oc1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006149924 569015074 /nfs/dbraw/zinc/01/50/74/569015074.db2.gz MEVQYEXLTMCTDE-RMORIDSASA-N 0 0 414.317 6.422 50 30 HKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Cl)c1 ZINC000006149927 569015119 /nfs/dbraw/zinc/01/51/19/569015119.db2.gz IYTWSELXJVPDJZ-YXSASFKJSA-N 0 0 417.148 6.870 50 30 HKEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000006154585 569015297 /nfs/dbraw/zinc/01/52/97/569015297.db2.gz RJDHRNMVNUKYNY-WMWHPZEKSA-N 0 0 414.457 5.300 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006160051 569015482 /nfs/dbraw/zinc/01/54/82/569015482.db2.gz OLIOKHSYEAVOGI-XMMPIXPASA-N 0 0 419.565 6.277 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006160053 569015544 /nfs/dbraw/zinc/01/55/44/569015544.db2.gz OLIOKHSYEAVOGI-DEOSSOPVSA-N 0 0 419.565 6.277 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000006160845 569015882 /nfs/dbraw/zinc/01/58/82/569015882.db2.gz LXZAQVQTLQQDPU-QHCPKHFHSA-N 0 0 412.489 5.296 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000006160852 569015908 /nfs/dbraw/zinc/01/59/08/569015908.db2.gz LXZAQVQTLQQDPU-HSZRJFAPSA-N 0 0 412.489 5.296 50 30 HKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006160891 569015914 /nfs/dbraw/zinc/01/59/14/569015914.db2.gz UYZXFAHVSACWIZ-DEOSSOPVSA-N 0 0 411.501 5.124 50 30 HKEARN C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C)cc1)c2=O ZINC000006162662 568967184 /nfs/dbraw/zinc/96/71/84/568967184.db2.gz AFTNQFBBBRSZKG-UHFFFAOYSA-N 0 0 420.339 5.614 50 30 HKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 ZINC000006167615 568967186 /nfs/dbraw/zinc/96/71/86/568967186.db2.gz UPCQMQBWSIQPAJ-YADARESESA-N 0 0 408.567 5.358 50 30 HKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 ZINC000006167616 568967182 /nfs/dbraw/zinc/96/71/82/568967182.db2.gz UPCQMQBWSIQPAJ-CYFREDJKSA-N 0 0 408.567 5.358 50 30 HKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 ZINC000006167617 568967134 /nfs/dbraw/zinc/96/71/34/568967134.db2.gz UPCQMQBWSIQPAJ-NTKDMRAZSA-N 0 0 408.567 5.358 50 30 HKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 ZINC000006167618 568967173 /nfs/dbraw/zinc/96/71/73/568967173.db2.gz UPCQMQBWSIQPAJ-DVECYGJZSA-N 0 0 408.567 5.358 50 30 HKEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 ZINC000006167787 569016153 /nfs/dbraw/zinc/01/61/53/569016153.db2.gz DNVBIJFPARYDBE-SJJYNHATSA-N 0 0 410.469 5.898 50 30 biogenic HKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])cc1 ZINC000006170515 560739961 /nfs/dbraw/zinc/73/99/61/560739961.db2.gz QYWKMLPGWAFXPN-WUXMJOGZSA-N 0 0 415.401 6.038 50 30 HKEARN CC1C/C(=C\c2ccc(OC(F)F)cc2)C(=O)/C(=C\c2ccc(OC(F)F)cc2)C1 ZINC000006172514 560739989 /nfs/dbraw/zinc/73/99/89/560739989.db2.gz DBLHUZVQJNKWLR-BQWARBPISA-N 0 0 420.402 6.355 50 30 HKEARN CCC1C/C(=C\c2ccc(C(=O)OC)cc2)C(=O)/C(=C/c2ccc(C(=O)OC)cc2)C1 ZINC000006172722 559077985 /nfs/dbraw/zinc/07/79/85/559077985.db2.gz KMPOGOLZVISUFQ-QAOSGDJLSA-N 0 0 418.489 5.116 50 30 HKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000006174251 569016926 /nfs/dbraw/zinc/01/69/26/569016926.db2.gz ABKWXTKLZXQKEX-SJJYNHATSA-N 0 0 410.469 5.898 50 30 biogenic HKEARN CSc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000006182767 557693267 /nfs/dbraw/zinc/69/32/67/557693267.db2.gz KAVYDDBSATXKDS-HYARGMPZSA-N 0 0 400.500 5.099 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006187050 569029478 /nfs/dbraw/zinc/02/94/78/569029478.db2.gz FUHRJVVISSICTD-OAQYLSRUSA-N 0 0 422.481 5.062 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006187055 569029481 /nfs/dbraw/zinc/02/94/81/569029481.db2.gz FUHRJVVISSICTD-NRFANRHFSA-N 0 0 422.481 5.062 50 30 HKEARN CCCn1c(C)cc(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c1C ZINC000006187118 569029484 /nfs/dbraw/zinc/02/94/84/569029484.db2.gz OTUOEEXPIVRKNO-UHFFFAOYSA-N 0 0 416.550 5.471 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(Cc2ccccc2)CC1 ZINC000006187368 132309458 /nfs/dbraw/zinc/30/94/58/132309458.db2.gz IQUQPQQOCDLKGE-UHFFFAOYSA-N 0 0 408.549 5.689 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(Nc2ccccc2)cc1 ZINC000006187672 569029601 /nfs/dbraw/zinc/02/96/01/569029601.db2.gz COTQYZKEHYLLGP-LQKURTRISA-N 0 0 417.472 5.867 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006187908 569029660 /nfs/dbraw/zinc/02/96/60/569029660.db2.gz VCSAZRPZJJCAKW-QFIPXVFZSA-N 0 0 401.437 5.225 50 30 HKEARN N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000006189488 569029790 /nfs/dbraw/zinc/02/97/90/569029790.db2.gz FFJGNLJQGMJCTD-UHFFFAOYSA-N 0 0 422.912 6.265 50 30 HKEARN N#Cc1ccc([C@@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccccc5)c43)C(=O)N2)cc1 ZINC000006190393 569030273 /nfs/dbraw/zinc/03/02/73/569030273.db2.gz RHUNKJLQGXAPNB-HSZRJFAPSA-N 0 0 422.513 5.566 50 30 HKEARN N#Cc1ccc([C@H]2Nc3c(sc4nc(C5CC5)cc(-c5ccccc5)c43)C(=O)N2)cc1 ZINC000006190394 569030276 /nfs/dbraw/zinc/03/02/76/569030276.db2.gz RHUNKJLQGXAPNB-QHCPKHFHSA-N 0 0 422.513 5.566 50 30 HKEARN O=C1/C(=C/c2ccc(-c3ccccc3)o2)CCCC/C1=C\c1ccc(-c2ccccc2)o1 ZINC000006196220 569031398 /nfs/dbraw/zinc/03/13/98/569031398.db2.gz KTOSWUNOTSYLBY-BLVCXSLXSA-N 0 0 420.508 7.817 50 30 HKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000006198040 569279623 /nfs/dbraw/zinc/27/96/23/569279623.db2.gz NTRPXWXSVZUJRT-AFUMVMLFSA-N 0 0 414.921 6.076 50 30 HKEARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)cc1 ZINC000006199464 569031506 /nfs/dbraw/zinc/03/15/06/569031506.db2.gz GRYVEWOFOKLJNC-FQEVSTJZSA-N 0 0 405.457 5.051 50 30 HKEARN Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)cc1 ZINC000006199474 569031563 /nfs/dbraw/zinc/03/15/63/569031563.db2.gz GRYVEWOFOKLJNC-HXUWFJFHSA-N 0 0 405.457 5.051 50 30 HKEARN C=C(C)CSc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1Cc1ccccc1 ZINC000006205344 569032988 /nfs/dbraw/zinc/03/29/88/569032988.db2.gz NNUWIMFZISWSJH-UHFFFAOYSA-N 0 0 418.587 6.150 50 30 HKEARN Cc1ccccc1[C@@H]1c2c([nH]n(-c3ccccc3)c2=O)NC2=C1C(=O)c1ccccc12 ZINC000006208375 569033055 /nfs/dbraw/zinc/03/30/55/569033055.db2.gz LQSVGOYDEPKHBQ-FQEVSTJZSA-N 0 0 405.457 5.051 50 30 HKEARN Cc1ccccc1[C@H]1c2c([nH]n(-c3ccccc3)c2=O)NC2=C1C(=O)c1ccccc12 ZINC000006208380 569033074 /nfs/dbraw/zinc/03/30/74/569033074.db2.gz LQSVGOYDEPKHBQ-HXUWFJFHSA-N 0 0 405.457 5.051 50 30 HKEARN Cc1ccc(NC(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006212957 569033221 /nfs/dbraw/zinc/03/32/21/569033221.db2.gz RSCBIAJZPGFUMW-XEFZIOHMSA-N 0 0 412.402 5.074 50 30 HKEARN Cc1ccc(NC(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006212961 569033216 /nfs/dbraw/zinc/03/32/16/569033216.db2.gz RSCBIAJZPGFUMW-KDCJFMNISA-N 0 0 412.402 5.074 50 30 HKEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000006223317 557694907 /nfs/dbraw/zinc/69/49/07/557694907.db2.gz DBWDNJBUJUECQN-IFRROFPPSA-N 0 0 401.681 5.215 50 30 HKEARN CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2cccc(Cl)c2)C1=O ZINC000006227921 569033574 /nfs/dbraw/zinc/03/35/74/569033574.db2.gz YOIDCPASXLBRGI-YBEGLDIGSA-N 0 0 420.317 5.537 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000006237925 569279800 /nfs/dbraw/zinc/27/98/00/569279800.db2.gz AEIQAMSFNASQDD-YAGSLNJISA-N 0 0 416.480 6.905 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c2ccccc2cc2ccccc21 ZINC000006239559 557695684 /nfs/dbraw/zinc/69/56/84/557695684.db2.gz RNGGVZLCSWUAKL-NDEPHWFRSA-N 0 0 418.540 7.215 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000006239595 557695656 /nfs/dbraw/zinc/69/56/56/557695656.db2.gz RNGGVZLCSWUAKL-MUUNZHRXSA-N 0 0 418.540 7.215 50 30 HKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000006239992 569034498 /nfs/dbraw/zinc/03/44/98/569034498.db2.gz LCYKYGDHMKJNHS-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCC2 ZINC000006240601 569034506 /nfs/dbraw/zinc/03/45/06/569034506.db2.gz FTPAVVBTPBULFK-UHFFFAOYSA-N 0 0 403.290 5.928 50 30 HKEARN N#Cc1ccccc1COc1ccc(C=NNc2ccccc2)cc1Br ZINC000006240643 569034578 /nfs/dbraw/zinc/03/45/78/569034578.db2.gz WMAAXKZAHXWNEJ-ZVHZXABRSA-N 0 0 406.283 5.346 50 30 HKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000006241075 557695671 /nfs/dbraw/zinc/69/56/71/557695671.db2.gz QQUBFAWTJTXZQP-SIBVEZHUSA-N 0 0 414.574 6.532 50 30 HKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000006241078 557695737 /nfs/dbraw/zinc/69/57/37/557695737.db2.gz QQUBFAWTJTXZQP-BCHFMIIMSA-N 0 0 414.574 6.532 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000006245904 569034590 /nfs/dbraw/zinc/03/45/90/569034590.db2.gz DRVGHOIREPWEJL-VWLOTQADSA-N 0 0 404.510 5.392 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000006245906 569034621 /nfs/dbraw/zinc/03/46/21/569034621.db2.gz DRVGHOIREPWEJL-RUZDIDTESA-N 0 0 404.510 5.392 50 30 HKEARN CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000006247575 560630442 /nfs/dbraw/zinc/63/04/42/560630442.db2.gz OOHYRHLPWWNUDR-FOWTUZBSSA-N 0 0 408.457 6.412 50 30 HKEARN O=S(=O)(N=C(Nc1cc(Cl)ccc1Cl)c1ccccc1)c1cccs1 ZINC000006250888 559115109 /nfs/dbraw/zinc/11/51/09/559115109.db2.gz GOTKGNQTLSJKQN-UHFFFAOYSA-N 0 0 411.335 5.303 50 30 HKEARN O=S(=O)(N=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(F)cc1 ZINC000006250901 559115117 /nfs/dbraw/zinc/11/51/17/559115117.db2.gz ZQSKMIQPPZPAKO-UHFFFAOYSA-N 0 0 422.403 5.092 50 30 HKEARN O=S(=O)(N=C(Nc1ccccc1C(F)(F)F)c1ccccc1)c1ccc(F)cc1 ZINC000006250903 559115142 /nfs/dbraw/zinc/11/51/42/559115142.db2.gz MNYGQZFZKMVPCA-UHFFFAOYSA-N 0 0 422.403 5.092 50 30 HKEARN O=S(=O)(N=C(Nc1ccccc1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000006250931 569035345 /nfs/dbraw/zinc/03/53/45/569035345.db2.gz LXZVNVQVZFGTCD-UHFFFAOYSA-N 0 0 405.306 5.241 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000006254104 569035297 /nfs/dbraw/zinc/03/52/97/569035297.db2.gz PYRADUXWQSGPRH-UHFFFAOYSA-N 0 0 411.914 5.758 50 30 HKEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000006262532 569036019 /nfs/dbraw/zinc/03/60/19/569036019.db2.gz GYRDEIHIGPPPIE-YVLHZVERSA-N 0 0 401.256 5.017 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)sc2C1 ZINC000006262624 569036046 /nfs/dbraw/zinc/03/60/46/569036046.db2.gz ZDOLZGLGEBDXGD-ZTFGCOKTSA-N 0 0 412.986 6.166 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)sc2C1 ZINC000006262625 569036064 /nfs/dbraw/zinc/03/60/64/569036064.db2.gz ZDOLZGLGEBDXGD-OLMNPRSZSA-N 0 0 412.986 6.166 50 30 HKEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000006262678 569035990 /nfs/dbraw/zinc/03/59/90/569035990.db2.gz MXPBAFYTEHYIBA-BKUYFWCQSA-N 0 0 408.494 5.321 50 30 HKEARN C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000006263416 569036005 /nfs/dbraw/zinc/03/60/05/569036005.db2.gz RTOTWYQAYGHAQF-UHFFFAOYSA-N 0 0 417.549 5.014 50 30 HKEARN CCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000006265137 569036023 /nfs/dbraw/zinc/03/60/23/569036023.db2.gz KBMHWFRSXXWTTA-UHFFFAOYSA-N 0 0 421.581 5.791 50 30 HKEARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006266043 569036129 /nfs/dbraw/zinc/03/61/29/569036129.db2.gz CZXNEWQTOMPCAX-OAQYLSRUSA-N 0 0 418.928 5.430 50 30 HKEARN 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ZINC000006442146 569052734 /nfs/dbraw/zinc/05/27/34/569052734.db2.gz JQCDXIUBDVDRRX-RCCKNPSSSA-N 0 0 414.486 5.106 50 30 HKEARN N#Cc1c(SCc2ccccc2[N+](=O)[O-])nc(-c2cccs2)cc1C(F)(F)F ZINC000006445535 569052609 /nfs/dbraw/zinc/05/26/09/569052609.db2.gz GQSREDUNENQIFM-UHFFFAOYSA-N 0 0 421.425 5.901 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000006446064 569052983 /nfs/dbraw/zinc/05/29/83/569052983.db2.gz WFIMRMKSSXICDO-SDHSZQHLSA-N 0 0 419.459 5.110 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000006446075 569052974 /nfs/dbraw/zinc/05/29/74/569052974.db2.gz WFIMRMKSSXICDO-UBFVSLLYSA-N 0 0 419.459 5.110 50 30 HKEARN Cc1ccc(N=C2SC(=CNc3ccc(C)c(Cl)c3)C(=O)N2C)cc1Cl ZINC000006449762 569053010 /nfs/dbraw/zinc/05/30/10/569053010.db2.gz OUNASTKFWOUWGI-GMFGMJKXSA-N 0 0 406.338 5.756 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2ccccc2o1 ZINC000006456608 569053496 /nfs/dbraw/zinc/05/34/96/569053496.db2.gz ZYDJHAUGXAFCJC-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006457393 569053617 /nfs/dbraw/zinc/05/36/17/569053617.db2.gz ZEXUZNDWGNJKCB-PDGQHHTCSA-N 0 0 414.408 5.857 50 30 HKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006459662 557703589 /nfs/dbraw/zinc/70/35/89/557703589.db2.gz GZTKEOUMUSWXKF-JOCHJYFZSA-N 0 0 406.913 5.255 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccccc4O)c3c2C1 ZINC000006462295 557703861 /nfs/dbraw/zinc/70/38/61/557703861.db2.gz RMPWCDGJLXLIAM-NXYZXBHKSA-N 0 0 408.571 5.774 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc(OC)cc4)c3c2C1 ZINC000006462298 557703874 /nfs/dbraw/zinc/70/38/74/557703874.db2.gz HACOCPQNJRFEFM-VSWHYLHOSA-N 0 0 422.598 6.077 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccccc4O)c3c2C1 ZINC000006462306 557703829 /nfs/dbraw/zinc/70/38/29/557703829.db2.gz RMPWCDGJLXLIAM-IXORVSQSSA-N 0 0 408.571 5.774 50 30 HKEARN CCOc1cc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)ccc1O ZINC000006464469 569057795 /nfs/dbraw/zinc/05/77/95/569057795.db2.gz ABCOFLJHQLTPON-SOFYXZRVSA-N 0 0 409.294 5.830 50 30 HKEARN CCOc1cc(C=C2SC(=Nc3ccccc3C(F)(F)F)NC2=O)ccc1O ZINC000006464483 569057790 /nfs/dbraw/zinc/05/77/90/569057790.db2.gz APEYRHRAPKZLSA-YBEGLDIGSA-N 0 0 408.401 5.542 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2o1 ZINC000006472753 569058155 /nfs/dbraw/zinc/05/81/55/569058155.db2.gz XGYKUUROSCQHIZ-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2ccccc2o1 ZINC000006473110 569058125 /nfs/dbraw/zinc/05/81/25/569058125.db2.gz JFPCZVUWRWOCPZ-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000006473705 569058174 /nfs/dbraw/zinc/05/81/74/569058174.db2.gz YLMLRTJWMZFRNT-WQRHYEAKSA-N 0 0 415.301 6.145 50 30 HKEARN c1[nH]c2ccccc2c1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000006473779 569058166 /nfs/dbraw/zinc/05/81/66/569058166.db2.gz 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O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 ZINC000006475040 557704241 /nfs/dbraw/zinc/70/42/41/557704241.db2.gz KVRURICHFJRLLN-QKFKETGDSA-N 0 0 424.928 6.520 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 ZINC000006475042 557704217 /nfs/dbraw/zinc/70/42/17/557704217.db2.gz KVRURICHFJRLLN-PSLXWICFSA-N 0 0 424.928 6.520 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 ZINC000006475048 557704244 /nfs/dbraw/zinc/70/42/44/557704244.db2.gz KVRURICHFJRLLN-FATZIPQQSA-N 0 0 424.928 6.520 50 30 HKEARN O=C(/C=C/c1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006476697 560630940 /nfs/dbraw/zinc/63/09/40/560630940.db2.gz PSDWFJLIHYMWOZ-SAPNQHFASA-N 0 0 419.546 5.301 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2ccccc2o1 ZINC000006479124 569059265 /nfs/dbraw/zinc/05/92/65/569059265.db2.gz WMVLYAQIDGFPTD-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2ccccc2o1 ZINC000006479180 569059239 /nfs/dbraw/zinc/05/92/39/569059239.db2.gz QYAQSAQQXUVXGH-UHFFFAOYSA-N 0 0 418.522 5.225 50 30 HKEARN CCOc1ccccc1C(=O)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 ZINC000006488622 569059498 /nfs/dbraw/zinc/05/94/98/569059498.db2.gz KSQHAHCJOPHMDP-UHFFFAOYSA-N 0 0 411.954 6.364 50 30 HKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000006489399 569059539 /nfs/dbraw/zinc/05/95/39/569059539.db2.gz CYGBRRFCVPHZDU-GFCCVEGCSA-N 0 0 413.593 5.475 50 30 HKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000006489706 569059542 /nfs/dbraw/zinc/05/95/42/569059542.db2.gz CYGBRRFCVPHZDU-LBPRGKRZSA-N 0 0 413.593 5.475 50 30 HKEARN COc1ccc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000006490613 569059883 /nfs/dbraw/zinc/05/98/83/569059883.db2.gz ARIBXNMMHBCTFW-SSDVNMTOSA-N 0 0 405.306 6.066 50 30 HKEARN COc1ccc(/C=N/c2sccc2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000006490615 569059855 /nfs/dbraw/zinc/05/98/55/569059855.db2.gz TUEVRKNJBGMVDL-WYMPLXKRSA-N 0 0 404.413 5.778 50 30 HKEARN COc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000006490712 569060920 /nfs/dbraw/zinc/06/09/20/569060920.db2.gz RAJSXOGDSAMRCR-SSDVNMTOSA-N 0 0 405.306 6.066 50 30 HKEARN C=CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000006500563 569061482 /nfs/dbraw/zinc/06/14/82/569061482.db2.gz RTQFMIPFOMJTRD-UHFFFAOYSA-N 0 0 411.958 5.685 50 30 HKEARN Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000006504247 569061684 /nfs/dbraw/zinc/06/16/84/569061684.db2.gz LEZWTISEGZSTBO-OAHLLOKOSA-N 0 0 411.596 5.206 50 30 HKEARN Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000006504248 569061632 /nfs/dbraw/zinc/06/16/32/569061632.db2.gz LEZWTISEGZSTBO-HNNXBMFYSA-N 0 0 411.596 5.206 50 30 HKEARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000006504652 569061716 /nfs/dbraw/zinc/06/17/16/569061716.db2.gz OKBNCNMPNHWOPW-CQSZACIVSA-N 0 0 411.596 5.206 50 30 HKEARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000006504653 569061697 /nfs/dbraw/zinc/06/16/97/569061697.db2.gz OKBNCNMPNHWOPW-AWEZNQCLSA-N 0 0 411.596 5.206 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1Cl ZINC000006525861 569063192 /nfs/dbraw/zinc/06/31/92/569063192.db2.gz YNVCJSGLQPABDN-YNJCBUEKSA-N 0 0 406.957 6.377 50 30 HKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006529514 557706417 /nfs/dbraw/zinc/70/64/17/557706417.db2.gz NBXOFNCEBVPOTQ-OAQYLSRUSA-N 0 0 403.865 5.119 50 30 HKEARN N#Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c1 ZINC000006531603 569064099 /nfs/dbraw/zinc/06/40/99/569064099.db2.gz NISJBXLSLFMUER-UHFFFAOYSA-N 0 0 400.482 5.296 50 30 HKEARN CCOC(=O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)c1ccccc1 ZINC000006544781 569065014 /nfs/dbraw/zinc/06/50/14/569065014.db2.gz UEBJBAWYSOEVAY-QGOAFFKASA-N 0 0 415.272 6.083 50 30 HKEARN N#Cc1c(SC/C=C/c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000006548435 569064789 /nfs/dbraw/zinc/06/47/89/569064789.db2.gz XUDPDQNCEKMOJC-XBXARRHUSA-N 0 0 402.466 6.506 50 30 HKEARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2(C#N)CCCC2)cc1 ZINC000006549939 569064987 /nfs/dbraw/zinc/06/49/87/569064987.db2.gz YNDPMYMIZOSONE-UHFFFAOYSA-N 0 0 401.535 5.281 50 30 HKEARN C=CCN(Cc1ccc(Br)s1)c1ncnc2sc3c(c21)CCC3 ZINC000006550951 569065398 /nfs/dbraw/zinc/06/53/98/569065398.db2.gz OKJZOLGLWZHQHN-UHFFFAOYSA-N 0 0 406.374 5.197 50 30 HKEARN Cc1cc(C)cc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000006551313 569065394 /nfs/dbraw/zinc/06/53/94/569065394.db2.gz QYAZZISKUYIFHS-UHFFFAOYSA-N 0 0 400.507 5.015 50 30 HKEARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(C#N)c3)cc12 ZINC000006552434 569065342 /nfs/dbraw/zinc/06/53/42/569065342.db2.gz SKGHXGKKXICEAS-UHFFFAOYSA-N 0 0 406.898 5.232 50 30 HKEARN C=CCN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1nc2c(s1)CCCC2 ZINC000006553420 569065573 /nfs/dbraw/zinc/06/55/73/569065573.db2.gz ANYIHIWRGOPYKY-UHFFFAOYSA-N 0 0 415.518 5.663 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006553740 557707691 /nfs/dbraw/zinc/70/76/91/557707691.db2.gz YAFYLYQVXPZYLK-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006553765 557707632 /nfs/dbraw/zinc/70/76/32/557707632.db2.gz YAFYLYQVXPZYLK-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl ZINC000006553798 569065444 /nfs/dbraw/zinc/06/54/44/569065444.db2.gz PHBJCPBONAJPEI-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl ZINC000006553801 569065432 /nfs/dbraw/zinc/06/54/32/569065432.db2.gz PHBJCPBONAJPEI-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN C=CCn1c(SCCCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(F)cc1 ZINC000006561737 569066106 /nfs/dbraw/zinc/06/61/06/569066106.db2.gz KBBQYTRYCJJAKM-UHFFFAOYSA-N 0 0 424.545 5.398 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4oc3=N)sc2C1 ZINC000006563408 569066123 /nfs/dbraw/zinc/06/61/23/569066123.db2.gz MESMZGWWWREMEL-CQSZACIVSA-N 0 0 405.523 5.249 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4oc3=N)sc2C1 ZINC000006563422 569066117 /nfs/dbraw/zinc/06/61/17/569066117.db2.gz MESMZGWWWREMEL-AWEZNQCLSA-N 0 0 405.523 5.249 50 30 HKEARN CC(C)(c1ccc(/C=C/C(=O)c2ccco2)o1)c1ccc(/C=C/C(=O)c2ccco2)o1 ZINC000006563588 557708161 /nfs/dbraw/zinc/70/81/61/557708161.db2.gz BUQHNMRVDIFPAK-MKICQXMISA-N 0 0 416.429 6.177 50 30 HKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006565705 569066260 /nfs/dbraw/zinc/06/62/60/569066260.db2.gz MLJURJYTLVVIER-JOCHJYFZSA-N 0 0 417.892 5.161 50 30 HKEARN N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000006580213 569066899 /nfs/dbraw/zinc/06/68/99/569066899.db2.gz LXQOEIQOZBTOOK-QFIPXVFZSA-N 0 0 414.509 5.224 50 30 HKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000006580220 569066866 /nfs/dbraw/zinc/06/68/66/569066866.db2.gz LXQOEIQOZBTOOK-JOCHJYFZSA-N 0 0 414.509 5.224 50 30 HKEARN C=CCN(C(=O)c1ccccc1OCc1c(C)noc1C)c1nc2c(s1)CCCC2 ZINC000006580511 569066833 /nfs/dbraw/zinc/06/68/33/569066833.db2.gz XGLUAEYKLDQQAW-UHFFFAOYSA-N 0 0 423.538 5.039 50 30 HKEARN N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000006581474 569067535 /nfs/dbraw/zinc/06/75/35/569067535.db2.gz LDHVYBOKPQUMBI-UHFFFAOYSA-N 0 0 406.898 5.404 50 30 HKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 ZINC000006582189 569030178 /nfs/dbraw/zinc/03/01/78/569030178.db2.gz MCPYSXRDVSAVER-WUXMJOGZSA-N 0 0 405.406 5.300 50 30 aggregator HKEARN N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000006583516 569067966 /nfs/dbraw/zinc/06/79/66/569067966.db2.gz HBGQDSRIOSZPBZ-SFHVURJKSA-N 0 0 408.958 5.941 50 30 HKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000006583519 569068006 /nfs/dbraw/zinc/06/80/06/569068006.db2.gz HBGQDSRIOSZPBZ-GOSISDBHSA-N 0 0 408.958 5.941 50 30 HKEARN C=CCn1c(SCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccoc1C ZINC000006586278 569067709 /nfs/dbraw/zinc/06/77/09/569067709.db2.gz HMWQAXRVSDELMP-UHFFFAOYSA-N 0 0 410.930 5.835 50 30 HKEARN C=CCn1c(C)nnc1SCC(=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000006586831 569067742 /nfs/dbraw/zinc/06/77/42/569067742.db2.gz CERUBGFZTYVHTH-UHFFFAOYSA-N 0 0 406.486 5.035 50 30 HKEARN COc1ccc2c(c1)nc(SCC(=O)N[C@](C)(C#N)C(C)C)cc2-c1ccccc1 ZINC000006587718 569067758 /nfs/dbraw/zinc/06/77/58/569067758.db2.gz JIFQGLNTZLBJRQ-XMMPIXPASA-N 0 0 419.550 5.057 50 30 HKEARN COc1ccc2c(c1)nc(SCC(=O)N[C@@](C)(C#N)C(C)C)cc2-c1ccccc1 ZINC000006587720 569067825 /nfs/dbraw/zinc/06/78/25/569067825.db2.gz JIFQGLNTZLBJRQ-DEOSSOPVSA-N 0 0 419.550 5.057 50 30 HKEARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)OCc3ccc(C#N)cc3)c2c1 ZINC000006590911 569068703 /nfs/dbraw/zinc/06/87/03/569068703.db2.gz JHNXCFIEJPWZGZ-UHFFFAOYSA-N 0 0 400.503 5.753 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 ZINC000006595728 569068850 /nfs/dbraw/zinc/06/88/50/569068850.db2.gz UKZSHMPKDXPARB-UHFFFAOYSA-N 0 0 404.308 5.325 50 30 HKEARN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(OC(F)F)cc1OC(F)F ZINC000006598754 568456293 /nfs/dbraw/zinc/45/62/93/568456293.db2.gz SUJSXXCGOIMCKY-QPJJXVBHSA-N 0 0 409.162 6.092 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccoc1C ZINC000006600751 569069770 /nfs/dbraw/zinc/06/97/70/569069770.db2.gz WXJOUCHNZOPVFK-UHFFFAOYSA-N 0 0 415.518 5.675 50 30 HKEARN N#Cc1ccc(COC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc1 ZINC000006602701 569070192 /nfs/dbraw/zinc/07/01/92/569070192.db2.gz RCMOTZJNCZCSEU-UHFFFAOYSA-N 0 0 404.535 5.794 50 30 HKEARN C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1occc1C ZINC000006602899 569070377 /nfs/dbraw/zinc/07/03/77/569070377.db2.gz CRYJXPAXLMWVTI-HNNXBMFYSA-N 0 0 406.511 5.186 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1occc1C ZINC000006602900 569070394 /nfs/dbraw/zinc/07/03/94/569070394.db2.gz CRYJXPAXLMWVTI-OAHLLOKOSA-N 0 0 406.511 5.186 50 30 HKEARN COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1C1CCCCC1 ZINC000006608310 569071848 /nfs/dbraw/zinc/07/18/48/569071848.db2.gz NLPYHLGGFAOIHE-FQEVSTJZSA-N 0 0 418.566 5.686 50 30 HKEARN COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1C1CCCCC1 ZINC000006608313 569071850 /nfs/dbraw/zinc/07/18/50/569071850.db2.gz NLPYHLGGFAOIHE-HXUWFJFHSA-N 0 0 418.566 5.686 50 30 HKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 ZINC000006613816 569074279 /nfs/dbraw/zinc/07/42/79/569074279.db2.gz GBQQMQZAEQBSKS-UHFFFAOYSA-N 0 0 402.416 6.379 50 30 HKEARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC#N)/C(=C/c2cccs2)C1 ZINC000006615443 557710489 /nfs/dbraw/zinc/71/04/89/557710489.db2.gz XOKYDKORXGJSCJ-ZQHZRZASSA-N 0 0 416.546 6.126 50 30 HKEARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC#N)/C(=C\c2cccs2)C1 ZINC000006615444 569061133 /nfs/dbraw/zinc/06/11/33/569061133.db2.gz XOKYDKORXGJSCJ-WAIALKQBSA-N 0 0 416.546 6.126 50 30 HKEARN CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC#N)/C(=C/c2cccs2)C1 ZINC000006615461 557710409 /nfs/dbraw/zinc/71/04/09/557710409.db2.gz XOKYDKORXGJSCJ-FYPAKXHLSA-N 0 0 416.546 6.126 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1F ZINC000006615626 569074535 /nfs/dbraw/zinc/07/45/35/569074535.db2.gz FEHDNUHOAAURIR-UHFFFAOYSA-N 0 0 406.379 6.210 50 30 HKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000006616935 569074796 /nfs/dbraw/zinc/07/47/96/569074796.db2.gz YOECDDSOMRIUPA-FZSIALSZSA-N 0 0 415.445 5.834 50 30 HKEARN CCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000006620736 569074893 /nfs/dbraw/zinc/07/48/93/569074893.db2.gz KIGWXAPJAGINTQ-UHFFFAOYSA-N 0 0 416.956 6.514 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000006622273 569074944 /nfs/dbraw/zinc/07/49/44/569074944.db2.gz GTHBNSYEJROIME-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000006622277 569074971 /nfs/dbraw/zinc/07/49/71/569074971.db2.gz GTHBNSYEJROIME-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 ZINC000006625605 569030912 /nfs/dbraw/zinc/03/09/12/569030912.db2.gz FSZTYLGLXMMISG-ONNFQVAWSA-N 0 0 405.837 5.217 50 30 HKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000006627351 569076030 /nfs/dbraw/zinc/07/60/30/569076030.db2.gz KSYMJHZESAEYSZ-HAHDFKILSA-N 0 0 414.530 5.774 50 30 HKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCc1cccnc1 ZINC000006633638 569075698 /nfs/dbraw/zinc/07/56/98/569075698.db2.gz MDWHZFBNSXEHAM-UHFFFAOYSA-N 0 0 416.868 5.453 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1Cl ZINC000006634175 569077481 /nfs/dbraw/zinc/07/74/81/569077481.db2.gz KPQIZMFXGIYMKK-IBGZPJMESA-N 0 0 419.912 5.432 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1Cl ZINC000006634179 569077475 /nfs/dbraw/zinc/07/74/75/569077475.db2.gz KPQIZMFXGIYMKK-LJQANCHMSA-N 0 0 419.912 5.432 50 30 HKEARN CCCC[C@@H](CC)CNC(=NNc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC ZINC000006635831 568456649 /nfs/dbraw/zinc/45/66/49/568456649.db2.gz AMYBJCCSLJFACD-CYBMUJFWSA-N 0 0 421.891 5.453 50 30 HKEARN CCCC[C@H](CC)CNC(=NNc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC ZINC000006635895 568456716 /nfs/dbraw/zinc/45/67/16/568456716.db2.gz AMYBJCCSLJFACD-ZDUSSCGKSA-N 0 0 421.891 5.453 50 30 HKEARN CCCCc1ccc(NC(=O)CSc2ccccc2/N=C/c2ccccc2O)cc1 ZINC000006635970 569280008 /nfs/dbraw/zinc/28/00/08/569280008.db2.gz ILVBHHBDOIUACM-YZSQISJMSA-N 0 0 418.562 6.216 50 30 HKEARN COc1cc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)cc(OC)c1OC ZINC000006641361 557711644 /nfs/dbraw/zinc/71/16/44/557711644.db2.gz ULBVQDPEZFNSSG-YBEGLDIGSA-N 0 0 404.875 5.098 50 30 HKEARN COc1ccc(OC)c(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)c1 ZINC000006641982 569078172 /nfs/dbraw/zinc/07/81/72/569078172.db2.gz YGRURPWHCHGFES-SOFYXZRVSA-N 0 0 409.294 5.743 50 30 HKEARN COc1ccc(OC)c(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c1 ZINC000006641990 569078112 /nfs/dbraw/zinc/07/81/12/569078112.db2.gz OVMWRRQRLYKJDX-PXNMLYILSA-N 0 0 409.294 5.743 50 30 HKEARN COc1ccc(OC)c(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)c1 ZINC000006641993 569078111 /nfs/dbraw/zinc/07/81/11/569078111.db2.gz YAHBJEYICDUDAT-SXGWCWSVSA-N 0 0 408.401 5.455 50 30 HKEARN COc1ccc(OC)c(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 ZINC000006641998 569078284 /nfs/dbraw/zinc/07/82/84/569078284.db2.gz BOKHAIWAJFUXFY-DHDCSXOGSA-N 0 0 409.294 5.743 50 30 HKEARN COc1ccc(OC)c(C=C2SC(=Nc3ccccc3C(F)(F)F)NC2=O)c1 ZINC000006642002 569078225 /nfs/dbraw/zinc/07/82/25/569078225.db2.gz USNIRJKTUJYVRC-YBEGLDIGSA-N 0 0 408.401 5.455 50 30 HKEARN COc1ccc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1 ZINC000006642029 569078313 /nfs/dbraw/zinc/07/83/13/569078313.db2.gz FVRASGQBYSQNSE-PXNMLYILSA-N 0 0 408.401 5.455 50 30 HKEARN COc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(OC)c1 ZINC000006642033 557711669 /nfs/dbraw/zinc/71/16/69/557711669.db2.gz RKYKVURXTLWOHG-NVNXTCNLSA-N 0 0 409.294 5.743 50 30 HKEARN Cc1ccc(C(=O)CSc2nc3c(c(-c4ccc(O)cc4)c2C#N)CCC3)cc1 ZINC000006648956 569081313 /nfs/dbraw/zinc/08/13/13/569081313.db2.gz XWANKIULRLHMHG-UHFFFAOYSA-N 0 0 400.503 5.098 50 30 HKEARN C=CCn1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 ZINC000006649030 569081460 /nfs/dbraw/zinc/08/14/60/569081460.db2.gz GKAMPCFFHSPKCJ-UHFFFAOYSA-N 0 0 412.515 5.084 50 30 HKEARN CCc1cc(SCc2nc3ccccc3s2)n2c3ccccc3nc2c1C#N ZINC000006650162 569080509 /nfs/dbraw/zinc/08/05/09/569080509.db2.gz IRMIHRADKCGYNT-UHFFFAOYSA-N 0 0 400.532 5.824 50 30 HKEARN C=CCSc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1 ZINC000006651666 569081535 /nfs/dbraw/zinc/08/15/35/569081535.db2.gz WJQWDJJOAPBHBQ-UHFFFAOYSA-N 0 0 411.430 5.347 50 30 HKEARN COc1ccc(C)cc1/C=C(/C(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000006651929 560632666 /nfs/dbraw/zinc/63/26/66/560632666.db2.gz SMHQRCDYCZMXPE-RGEXLXHISA-N 0 0 402.881 5.957 50 30 HKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1cccc2ccccc21 ZINC000006653370 569082643 /nfs/dbraw/zinc/08/26/43/569082643.db2.gz SSZNQJCZNMKBNG-UHFFFAOYSA-N 0 0 415.562 6.051 50 30 HKEARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1c(C#N)oc2ccccc21 ZINC000006653845 569082640 /nfs/dbraw/zinc/08/26/40/569082640.db2.gz HOVVVHFQXOMKBV-UHFFFAOYSA-N 0 0 404.495 5.041 50 30 HKEARN CCOC(=O)c1c2ccc(C(C)(C)C)cc2sc1NC(=O)C#Cc1ccccc1 ZINC000006656019 569082847 /nfs/dbraw/zinc/08/28/47/569082847.db2.gz DLXOMGSKHBZFDZ-UHFFFAOYSA-N 0 0 405.519 5.366 50 30 HKEARN Cc1nc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n(C2CCCCC2)c1C ZINC000006657488 569082947 /nfs/dbraw/zinc/08/29/47/569082947.db2.gz HVMZPHVERHHIRB-UHFFFAOYSA-N 0 0 414.550 5.183 50 30 HKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CCCCC1 ZINC000006658492 557712358 /nfs/dbraw/zinc/71/23/58/557712358.db2.gz BFYFWQHHLYQYQO-IBGZPJMESA-N 0 0 401.337 6.476 50 30 HKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CCCCC1 ZINC000006658493 557712276 /nfs/dbraw/zinc/71/22/76/557712276.db2.gz BFYFWQHHLYQYQO-LJQANCHMSA-N 0 0 401.337 6.476 50 30 HKEARN COCc1cc(C)nc2sc(C#N)c(/N=C/c3ccc(Br)cc3)c21 ZINC000006659359 569083713 /nfs/dbraw/zinc/08/37/13/569083713.db2.gz HDBZMCOFZUANJS-ZVBGSRNCSA-N 0 0 400.301 5.136 50 30 HKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc2ccccc21 ZINC000006662216 569085457 /nfs/dbraw/zinc/08/54/57/569085457.db2.gz GRNAFKNIIVFWSP-UHFFFAOYSA-N 0 0 403.869 5.372 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O ZINC000006665108 568968637 /nfs/dbraw/zinc/96/86/37/568968637.db2.gz KJKIIUAXZGLUND-ICCVIKJNSA-N 0 0 412.658 6.756 50 30 endogenous,in-man HKEARN COc1ccccc1C(=O)Nc1cccc(Oc2nc(C)c(Cl)c(C)c2C#N)c1 ZINC000006668317 569086139 /nfs/dbraw/zinc/08/61/39/569086139.db2.gz LRLHJLWSHHVPQC-UHFFFAOYSA-N 0 0 407.857 5.277 50 30 HKEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000006669402 569086196 /nfs/dbraw/zinc/08/61/96/569086196.db2.gz YEZAVBRQBIHIHI-UHFFFAOYSA-N 0 0 423.516 5.392 50 30 HKEARN C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)c1 ZINC000006669730 569086504 /nfs/dbraw/zinc/08/65/04/569086504.db2.gz ZVGGSEMEWHTQSD-UHFFFAOYSA-N 0 0 400.272 5.740 50 30 HKEARN COc1ccc(C=NNC(=Nc2ccc(C)cc2)c2nc3ccccc3s2)cc1 ZINC000006673360 557713578 /nfs/dbraw/zinc/71/35/78/557713578.db2.gz NXHLXKJHCCPZPA-BUVRLJJBSA-N 0 0 400.507 5.506 50 30 HKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C)cc1 ZINC000006690188 569089553 /nfs/dbraw/zinc/08/95/53/569089553.db2.gz COKCHQLWMPOJAN-UHFFFAOYSA-N 0 0 414.336 5.375 50 30 HKEARN Cc1ccc(COc2ccc(C=C3CCCC(C(=O)C(F)(F)F)=C3O)cc2)cc1 ZINC000006694322 569091359 /nfs/dbraw/zinc/09/13/59/569091359.db2.gz WLJQWXPMQFWFEP-PVTBXJRFSA-N 0 0 402.412 6.085 50 30 HKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)sc2C1 ZINC000006706949 569095350 /nfs/dbraw/zinc/09/53/50/569095350.db2.gz BGOGLCBOARSAKG-ZIAGYGMSSA-N 0 0 402.947 5.503 50 30 HKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)sc2C1 ZINC000006706952 569095304 /nfs/dbraw/zinc/09/53/04/569095304.db2.gz BGOGLCBOARSAKG-UONOGXRCSA-N 0 0 402.947 5.503 50 30 HKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)sc2C1 ZINC000006707697 569095492 /nfs/dbraw/zinc/09/54/92/569095492.db2.gz BGOGLCBOARSAKG-KGLIPLIRSA-N 0 0 402.947 5.503 50 30 HKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3cc(C)ccc3Cl)sc2C1 ZINC000006707701 569095410 /nfs/dbraw/zinc/09/54/10/569095410.db2.gz BGOGLCBOARSAKG-KBPBESRZSA-N 0 0 402.947 5.503 50 30 HKEARN CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000006709583 569095635 /nfs/dbraw/zinc/09/56/35/569095635.db2.gz PKKSFPGCVYGOKM-DOTOQJQBSA-N 0 0 410.583 5.739 50 30 HKEARN CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000006709587 569095687 /nfs/dbraw/zinc/09/56/87/569095687.db2.gz PKKSFPGCVYGOKM-RDJZCZTQSA-N 0 0 410.583 5.739 50 30 HKEARN CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000006709631 569095699 /nfs/dbraw/zinc/09/56/99/569095699.db2.gz PKKSFPGCVYGOKM-NVXWUHKLSA-N 0 0 410.583 5.739 50 30 HKEARN CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000006709634 569095671 /nfs/dbraw/zinc/09/56/71/569095671.db2.gz PKKSFPGCVYGOKM-WBVHZDCISA-N 0 0 410.583 5.739 50 30 HKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCC)n2)cc1 ZINC000006710077 569095650 /nfs/dbraw/zinc/09/56/50/569095650.db2.gz QIEUSTARQLATMC-UHFFFAOYSA-N 0 0 408.489 6.710 50 30 HKEARN CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006710526 569095810 /nfs/dbraw/zinc/09/58/10/569095810.db2.gz DCLBGWAWNURZCG-AREMUKBSSA-N 0 0 412.533 6.333 50 30 HKEARN CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006710533 569095813 /nfs/dbraw/zinc/09/58/13/569095813.db2.gz DCLBGWAWNURZCG-SANMLTNESA-N 0 0 412.533 6.333 50 30 HKEARN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 ZINC000006714769 557716761 /nfs/dbraw/zinc/71/67/61/557716761.db2.gz YCQUPNMPWHGGIR-WPWMEQJKSA-N 0 0 420.484 5.001 50 30 HKEARN Cc1ccc(CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000006715222 569097583 /nfs/dbraw/zinc/09/75/83/569097583.db2.gz IETMMCRIWWAKPW-UHFFFAOYSA-N 0 0 402.416 6.379 50 30 HKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006720065 569031067 /nfs/dbraw/zinc/03/10/67/569031067.db2.gz MYIRPXOYKWZIJX-HXUWFJFHSA-N 0 0 407.853 5.020 50 30 HKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006720066 569098026 /nfs/dbraw/zinc/09/80/26/569098026.db2.gz MYIRPXOYKWZIJX-FQEVSTJZSA-N 0 0 407.853 5.020 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000006720114 569097992 /nfs/dbraw/zinc/09/79/92/569097992.db2.gz IGASNRIXGKPJNY-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000006720164 569098186 /nfs/dbraw/zinc/09/81/86/569098186.db2.gz CRILEZVVHNJHKY-UHFFFAOYSA-N 0 0 416.571 5.550 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCc1ccccc1-3 ZINC000006720165 569098163 /nfs/dbraw/zinc/09/81/63/569098163.db2.gz YEFIPJRCUSTFBY-UHFFFAOYSA-N 0 0 416.571 5.799 50 30 HKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1c1ccccc1 ZINC000006720175 569098113 /nfs/dbraw/zinc/09/81/13/569098113.db2.gz LLVCBHUISSVKFB-XMMPIXPASA-N 0 0 420.512 5.351 50 30 HKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1c1ccccc1 ZINC000006720176 569098167 /nfs/dbraw/zinc/09/81/67/569098167.db2.gz LLVCBHUISSVKFB-DEOSSOPVSA-N 0 0 420.512 5.351 50 30 HKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006720404 557717319 /nfs/dbraw/zinc/71/73/19/557717319.db2.gz WKDXQQRGQYWYFL-VWLOTQADSA-N 0 0 403.526 5.060 50 30 biogenic HKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000006720405 557717301 /nfs/dbraw/zinc/71/73/01/557717301.db2.gz WKDXQQRGQYWYFL-RUZDIDTESA-N 0 0 403.526 5.060 50 30 biogenic HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006720417 569098115 /nfs/dbraw/zinc/09/81/15/569098115.db2.gz GJMKTOOBWNLURY-NRFANRHFSA-N 0 0 401.293 5.520 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006720418 569098188 /nfs/dbraw/zinc/09/81/88/569098188.db2.gz GJMKTOOBWNLURY-OAQYLSRUSA-N 0 0 401.293 5.520 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000006720419 569098197 /nfs/dbraw/zinc/09/81/97/569098197.db2.gz BGCSTPXBFHISHQ-QFIPXVFZSA-N 0 0 415.320 5.910 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000006720420 569098143 /nfs/dbraw/zinc/09/81/43/569098143.db2.gz BGCSTPXBFHISHQ-JOCHJYFZSA-N 0 0 415.320 5.910 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006720421 569098136 /nfs/dbraw/zinc/09/81/36/569098136.db2.gz SUKBELZFYDZOOS-SANMLTNESA-N 0 0 417.553 5.450 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000006720422 569098117 /nfs/dbraw/zinc/09/81/17/569098117.db2.gz SUKBELZFYDZOOS-AREMUKBSSA-N 0 0 417.553 5.450 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000006720425 569098220 /nfs/dbraw/zinc/09/82/20/569098220.db2.gz HGBFJOOKUVMDBN-VWLOTQADSA-N 0 0 420.509 5.098 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 ZINC000006720426 569098176 /nfs/dbraw/zinc/09/81/76/569098176.db2.gz HGBFJOOKUVMDBN-RUZDIDTESA-N 0 0 420.509 5.098 50 30 HKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000006720427 569098171 /nfs/dbraw/zinc/09/81/71/569098171.db2.gz ZNNXNXYUPJVUSW-RUZDIDTESA-N 0 0 403.526 5.060 50 30 HKEARN CCN(CC)c1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000006720428 569098111 /nfs/dbraw/zinc/09/81/11/569098111.db2.gz ZNNXNXYUPJVUSW-VWLOTQADSA-N 0 0 403.526 5.060 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000006720429 569098146 /nfs/dbraw/zinc/09/81/46/569098146.db2.gz PBKRFPNYVPBRJV-SANMLTNESA-N 0 0 417.553 5.450 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000006720430 569098295 /nfs/dbraw/zinc/09/82/95/569098295.db2.gz PBKRFPNYVPBRJV-AREMUKBSSA-N 0 0 417.553 5.450 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000006720437 569280133 /nfs/dbraw/zinc/28/01/33/569280133.db2.gz XERBEDAMDXRGFD-DEOSSOPVSA-N 0 0 408.929 6.037 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000006720438 569280130 /nfs/dbraw/zinc/28/01/30/569280130.db2.gz XERBEDAMDXRGFD-XMMPIXPASA-N 0 0 408.929 6.037 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(SC)cc1 ZINC000006720447 569098254 /nfs/dbraw/zinc/09/82/54/569098254.db2.gz VGUUXIAFHCSAFD-VWLOTQADSA-N 0 0 420.578 6.106 50 30 HKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(SC)cc1 ZINC000006720448 569098279 /nfs/dbraw/zinc/09/82/79/569098279.db2.gz VGUUXIAFHCSAFD-RUZDIDTESA-N 0 0 420.578 6.106 50 30 HKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006720451 569098236 /nfs/dbraw/zinc/09/82/36/569098236.db2.gz XAYIIDJUISANFB-VWLOTQADSA-N 0 0 420.509 5.011 50 30 HKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000006720452 569098290 /nfs/dbraw/zinc/09/82/90/569098290.db2.gz XAYIIDJUISANFB-RUZDIDTESA-N 0 0 420.509 5.011 50 30 HKEARN CCc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000006720453 569098261 /nfs/dbraw/zinc/09/82/61/569098261.db2.gz JNIDOYJWRIWCAN-HHHXNRCGSA-N 0 0 422.528 6.066 50 30 HKEARN CCc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000006720454 569098327 /nfs/dbraw/zinc/09/83/27/569098327.db2.gz JNIDOYJWRIWCAN-MHZLTWQESA-N 0 0 422.528 6.066 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 ZINC000006720704 569098827 /nfs/dbraw/zinc/09/88/27/569098827.db2.gz GGOOKELFBNPRKR-UHFFFAOYSA-N 0 0 408.592 6.007 50 30 HKEARN C=CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCc1ccccc1-3 ZINC000006720705 569098761 /nfs/dbraw/zinc/09/87/61/569098761.db2.gz KRFMPEJGFDIREW-UHFFFAOYSA-N 0 0 422.619 6.082 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000006720726 557717327 /nfs/dbraw/zinc/71/73/27/557717327.db2.gz SMEUUKBWOOZFHV-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000006720729 557717315 /nfs/dbraw/zinc/71/73/15/557717315.db2.gz GBYZBHQJFOOXOE-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000006720730 569098943 /nfs/dbraw/zinc/09/89/43/569098943.db2.gz LPYJNHNCZSEZJC-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000006720731 569098975 /nfs/dbraw/zinc/09/89/75/569098975.db2.gz LPYJNHNCZSEZJC-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000006720733 569098991 /nfs/dbraw/zinc/09/89/91/569098991.db2.gz JLQLEDUHFSOZST-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000006720734 569098912 /nfs/dbraw/zinc/09/89/12/569098912.db2.gz WUHQRSFDORRTPU-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720742 557717324 /nfs/dbraw/zinc/71/73/24/557717324.db2.gz UWAFBHQHWQGQGS-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720743 557717314 /nfs/dbraw/zinc/71/73/14/557717314.db2.gz UWAFBHQHWQGQGS-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720744 569098910 /nfs/dbraw/zinc/09/89/10/569098910.db2.gz RMVAIFYLAQULCY-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720745 569098909 /nfs/dbraw/zinc/09/89/09/569098909.db2.gz RMVAIFYLAQULCY-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720746 569098977 /nfs/dbraw/zinc/09/89/77/569098977.db2.gz DYSBBRURRXJMST-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720747 569098914 /nfs/dbraw/zinc/09/89/14/569098914.db2.gz DYSBBRURRXJMST-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720748 569098989 /nfs/dbraw/zinc/09/89/89/569098989.db2.gz MTNMTCAQVNORRE-QHCPKHFHSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000006720749 569098945 /nfs/dbraw/zinc/09/89/45/569098945.db2.gz MTNMTCAQVNORRE-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720757 569098919 /nfs/dbraw/zinc/09/89/19/569098919.db2.gz YRLOKNNLEGSXLI-QFIPXVFZSA-N 0 0 422.525 5.154 50 30 HKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720758 569098985 /nfs/dbraw/zinc/09/89/85/569098985.db2.gz YRLOKNNLEGSXLI-JOCHJYFZSA-N 0 0 422.525 5.154 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006720766 569098907 /nfs/dbraw/zinc/09/89/07/569098907.db2.gz VPVVFUAZZAFEJM-JOCHJYFZSA-N 0 0 404.485 5.068 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006720767 569098983 /nfs/dbraw/zinc/09/89/83/569098983.db2.gz JCEQUQFXMYBNPP-QFIPXVFZSA-N 0 0 404.485 5.068 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006720768 569098947 /nfs/dbraw/zinc/09/89/47/569098947.db2.gz JCEQUQFXMYBNPP-JOCHJYFZSA-N 0 0 404.485 5.068 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006720775 569098979 /nfs/dbraw/zinc/09/89/79/569098979.db2.gz WAWWNXMXNFAKGT-FQEVSTJZSA-N 0 0 410.514 5.130 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006720776 569098926 /nfs/dbraw/zinc/09/89/26/569098926.db2.gz WAWWNXMXNFAKGT-HXUWFJFHSA-N 0 0 410.514 5.130 50 30 HKEARN Cc1ccc(N2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006720882 569098959 /nfs/dbraw/zinc/09/89/59/569098959.db2.gz REGDURHVWPNURX-OAQYLSRUSA-N 0 0 408.841 5.454 50 30 HKEARN Cc1ccc(N2OC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006720883 569098911 /nfs/dbraw/zinc/09/89/11/569098911.db2.gz REGDURHVWPNURX-NRFANRHFSA-N 0 0 408.841 5.454 50 30 HKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C)cc1 ZINC000006723742 569100552 /nfs/dbraw/zinc/10/05/52/569100552.db2.gz XVEVEGHQLQJDEM-UHFFFAOYSA-N 0 0 414.336 5.375 50 30 HKEARN Cc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000006727992 569102129 /nfs/dbraw/zinc/10/21/29/569102129.db2.gz HAZFVTJCCQJXIO-NRFANRHFSA-N 0 0 421.566 5.003 50 30 HKEARN Cc1cc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000006727995 569102279 /nfs/dbraw/zinc/10/22/79/569102279.db2.gz HAZFVTJCCQJXIO-OAQYLSRUSA-N 0 0 421.566 5.003 50 30 HKEARN C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000006728085 569102284 /nfs/dbraw/zinc/10/22/84/569102284.db2.gz ARARFSBOIKOJNO-INIZCTEOSA-N 0 0 406.617 5.414 50 30 HKEARN C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000006728086 569102295 /nfs/dbraw/zinc/10/22/95/569102295.db2.gz ARARFSBOIKOJNO-MRXNPFEDSA-N 0 0 406.617 5.414 50 30 HKEARN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006728424 569102276 /nfs/dbraw/zinc/10/22/76/569102276.db2.gz XWBFCJZSHMCDQQ-OAQYLSRUSA-N 0 0 411.929 5.698 50 30 HKEARN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006728426 569102221 /nfs/dbraw/zinc/10/22/21/569102221.db2.gz XWBFCJZSHMCDQQ-NRFANRHFSA-N 0 0 411.929 5.698 50 30 HKEARN CSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 ZINC000006731440 557718025 /nfs/dbraw/zinc/71/80/25/557718025.db2.gz OCIKLIMSYCODMN-GDNBJRDFSA-N 0 0 420.353 5.361 50 30 HKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O ZINC000006732353 569103404 /nfs/dbraw/zinc/10/34/04/569103404.db2.gz FJSBQSKVYBRCQJ-UHFFFAOYSA-N 0 0 421.581 5.791 50 30 HKEARN CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(CC)C2=C1C(=O)CC(C)(C)C2 ZINC000006732354 569103417 /nfs/dbraw/zinc/10/34/17/569103417.db2.gz CUGFSEWWCJEYHJ-UHFFFAOYSA-N 0 0 421.581 5.791 50 30 HKEARN CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000006732515 569103525 /nfs/dbraw/zinc/10/35/25/569103525.db2.gz JOLLHIRKGDNMJQ-OAQYLSRUSA-N 0 0 420.900 5.019 50 30 HKEARN CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000006732517 569103477 /nfs/dbraw/zinc/10/34/77/569103477.db2.gz JOLLHIRKGDNMJQ-NRFANRHFSA-N 0 0 420.900 5.019 50 30 HKEARN CCOc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1 ZINC000006732519 569103487 /nfs/dbraw/zinc/10/34/87/569103487.db2.gz JPCNAAMDVDHYMV-OAQYLSRUSA-N 0 0 420.900 5.019 50 30 HKEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1 ZINC000006732521 569103505 /nfs/dbraw/zinc/10/35/05/569103505.db2.gz JPCNAAMDVDHYMV-NRFANRHFSA-N 0 0 420.900 5.019 50 30 HKEARN Cc1cccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000006732540 569103623 /nfs/dbraw/zinc/10/36/23/569103623.db2.gz JBAYHJAYAGBBQK-OAQYLSRUSA-N 0 0 418.928 5.565 50 30 HKEARN Cc1cccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000006732542 569103590 /nfs/dbraw/zinc/10/35/90/569103590.db2.gz JBAYHJAYAGBBQK-NRFANRHFSA-N 0 0 418.928 5.565 50 30 HKEARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733054 569103705 /nfs/dbraw/zinc/10/37/05/569103705.db2.gz NUDBJPUPNZRIFB-FQEVSTJZSA-N 0 0 417.940 6.239 50 30 HKEARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733055 569103687 /nfs/dbraw/zinc/10/36/87/569103687.db2.gz NUDBJPUPNZRIFB-HXUWFJFHSA-N 0 0 417.940 6.239 50 30 HKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006733056 569103709 /nfs/dbraw/zinc/10/37/09/569103709.db2.gz QSFVTIHJVNXZDR-NRFANRHFSA-N 0 0 413.521 5.594 50 30 HKEARN COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006733057 569103749 /nfs/dbraw/zinc/10/37/49/569103749.db2.gz QSFVTIHJVNXZDR-OAQYLSRUSA-N 0 0 413.521 5.594 50 30 HKEARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733068 569103678 /nfs/dbraw/zinc/10/36/78/569103678.db2.gz OACBTJBMRXQFDU-FQEVSTJZSA-N 0 0 401.485 5.725 50 30 HKEARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733069 569103720 /nfs/dbraw/zinc/10/37/20/569103720.db2.gz OACBTJBMRXQFDU-HXUWFJFHSA-N 0 0 401.485 5.725 50 30 HKEARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733073 569103696 /nfs/dbraw/zinc/10/36/96/569103696.db2.gz HVJQCPZCBGMBHY-NRFANRHFSA-N 0 0 413.521 5.594 50 30 HKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733074 569103767 /nfs/dbraw/zinc/10/37/67/569103767.db2.gz HVJQCPZCBGMBHY-OAQYLSRUSA-N 0 0 413.521 5.594 50 30 HKEARN COc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733082 569103682 /nfs/dbraw/zinc/10/36/82/569103682.db2.gz QHUNFKUZMNDCDT-IBGZPJMESA-N 0 0 405.523 5.347 50 30 HKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733083 569103699 /nfs/dbraw/zinc/10/36/99/569103699.db2.gz QHUNFKUZMNDCDT-LJQANCHMSA-N 0 0 405.523 5.347 50 30 HKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733088 569103714 /nfs/dbraw/zinc/10/37/14/569103714.db2.gz UGLUKAJYBYURIA-FQEVSTJZSA-N 0 0 403.551 5.901 50 30 HKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733089 569103765 /nfs/dbraw/zinc/10/37/65/569103765.db2.gz UGLUKAJYBYURIA-HXUWFJFHSA-N 0 0 403.551 5.901 50 30 HKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733093 569103751 /nfs/dbraw/zinc/10/37/51/569103751.db2.gz HZNMCMAOFQEXNL-QFIPXVFZSA-N 0 0 411.549 6.148 50 30 HKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733094 569103758 /nfs/dbraw/zinc/10/37/58/569103758.db2.gz HZNMCMAOFQEXNL-JOCHJYFZSA-N 0 0 411.549 6.148 50 30 HKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000006733753 569103757 /nfs/dbraw/zinc/10/37/57/569103757.db2.gz PYLBSMLISGOFKG-OVBHEWPQSA-N 0 0 418.577 6.144 50 30 biogenic HKEARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000006734474 569104273 /nfs/dbraw/zinc/10/42/73/569104273.db2.gz JQODQUYRCMUTMS-UHFFFAOYSA-N 0 0 408.552 5.252 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4C)nn32)cc1 ZINC000006738202 569106408 /nfs/dbraw/zinc/10/64/08/569106408.db2.gz VWNAMPBLITWVJO-JOCHJYFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4C)nn32)cc1 ZINC000006738203 569106470 /nfs/dbraw/zinc/10/64/70/569106470.db2.gz VWNAMPBLITWVJO-QFIPXVFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1 ZINC000006738204 569106401 /nfs/dbraw/zinc/10/64/01/569106401.db2.gz NOQGIROPXVZZFN-JOCHJYFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1 ZINC000006738205 569106488 /nfs/dbraw/zinc/10/64/88/569106488.db2.gz NOQGIROPXVZZFN-QFIPXVFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000006738210 569106418 /nfs/dbraw/zinc/10/64/18/569106418.db2.gz SXJQXNARFOYNNL-JOCHJYFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000006738211 569106426 /nfs/dbraw/zinc/10/64/26/569106426.db2.gz SXJQXNARFOYNNL-QFIPXVFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2C)C2C(=O)CCCC2=N3)c1 ZINC000006738212 569106490 /nfs/dbraw/zinc/10/64/90/569106490.db2.gz XSKQXBZDVLJLAL-JOCHJYFZSA-N 0 0 416.550 5.209 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2C)C2C(=O)CCCC2=N3)c1 ZINC000006738213 569106414 /nfs/dbraw/zinc/10/64/14/569106414.db2.gz XSKQXBZDVLJLAL-QFIPXVFZSA-N 0 0 416.550 5.209 50 30 HKEARN CCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000006738224 569106474 /nfs/dbraw/zinc/10/64/74/569106474.db2.gz AMBBTTQFKOLOSQ-GOSISDBHSA-N 0 0 402.951 5.236 50 30 HKEARN CCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000006738225 569106468 /nfs/dbraw/zinc/10/64/68/569106468.db2.gz AMBBTTQFKOLOSQ-SFHVURJKSA-N 0 0 402.951 5.236 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006738234 569106480 /nfs/dbraw/zinc/10/64/80/569106480.db2.gz BKHRCAZHBGAQGA-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006738235 569106435 /nfs/dbraw/zinc/10/64/35/569106435.db2.gz BKHRCAZHBGAQGA-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2F)C2C(=O)CCCC2=N3)c1 ZINC000006738236 569106398 /nfs/dbraw/zinc/10/63/98/569106398.db2.gz JUYVOIDQIADRMD-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2F)C2C(=O)CCCC2=N3)c1 ZINC000006738237 569106442 /nfs/dbraw/zinc/10/64/42/569106442.db2.gz JUYVOIDQIADRMD-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN C=CCn1c2ccccc2nc1NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006752546 569110369 /nfs/dbraw/zinc/11/03/69/569110369.db2.gz RVMFYKCRVKDZIN-UHFFFAOYSA-N 0 0 411.534 5.749 50 30 HKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 ZINC000006755269 569112047 /nfs/dbraw/zinc/11/20/47/569112047.db2.gz WAKFJKBIBCWXDJ-UHFFFAOYSA-N 0 0 402.416 6.379 50 30 HKEARN C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000006756631 569112737 /nfs/dbraw/zinc/11/27/37/569112737.db2.gz DOJZOGPLJHJRIY-UHFFFAOYSA-N 0 0 409.791 6.341 50 30 HKEARN CCCc1ccc(-c2c(C)sc(NC(=O)Cc3ccc(OCC)cc3)c2C#N)cc1 ZINC000006757568 569113199 /nfs/dbraw/zinc/11/31/99/569113199.db2.gz VHOZBYFSMUWFPT-UHFFFAOYSA-N 0 0 418.562 6.128 50 30 HKEARN COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(OCC#N)cc32)cc1 ZINC000006759414 569112901 /nfs/dbraw/zinc/11/29/01/569112901.db2.gz BKSLMRBMUUNPDM-SLEBQGDGSA-N 0 0 412.445 5.252 50 30 HKEARN C=C(C)CSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000006761260 569114232 /nfs/dbraw/zinc/11/42/32/569114232.db2.gz UVDHFWAPNKXUHB-QGZVFWFLSA-N 0 0 414.531 5.028 50 30 HKEARN N#Cc1cnn2c(NC3CCCCCCC3)c(-c3cccc(Br)c3)[nH]c12 ZINC000006768498 569115613 /nfs/dbraw/zinc/11/56/13/569115613.db2.gz BCYQYFSONRATRP-UHFFFAOYSA-N 0 0 412.335 5.488 50 30 HKEARN N#Cc1cnn2c(NC3CCCCCCC3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000006768515 569115517 /nfs/dbraw/zinc/11/55/17/569115517.db2.gz FHHVYQLUKMFZPA-UHFFFAOYSA-N 0 0 412.335 5.488 50 30 HKEARN C[C@@H]1CCC[C@H](Nc2c(-c3ccc(Br)cc3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768760 569115618 /nfs/dbraw/zinc/11/56/18/569115618.db2.gz XGTILTXDTPIMMX-XNJGSVPQSA-N 0 0 412.335 5.200 50 30 HKEARN C[C@@H]1CCC[C@@H](Nc2c(-c3ccc(Br)cc3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768762 569115629 /nfs/dbraw/zinc/11/56/29/569115629.db2.gz XGTILTXDTPIMMX-PBFPGSCMSA-N 0 0 412.335 5.200 50 30 HKEARN C=CCOc1ccc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000006780862 569120430 /nfs/dbraw/zinc/12/04/30/569120430.db2.gz YVLFKRUHUFYFDW-BOPFTXTBSA-N 0 0 404.413 6.002 50 30 HKEARN CC(C)(C)c1ccc(CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)cc1 ZINC000006781540 569120385 /nfs/dbraw/zinc/12/03/85/569120385.db2.gz ZCIHIGLKDQRWIY-UHFFFAOYSA-N 0 0 416.634 7.011 50 30 HKEARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000006781612 524174401 /nfs/dbraw/zinc/17/44/01/524174401.db2.gz HHALJFYIHUVBCS-DEOSSOPVSA-N 0 0 418.537 5.494 50 30 HKEARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 ZINC000006781614 569120362 /nfs/dbraw/zinc/12/03/62/569120362.db2.gz HHALJFYIHUVBCS-XMMPIXPASA-N 0 0 418.537 5.494 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006782313 569120500 /nfs/dbraw/zinc/12/05/00/569120500.db2.gz PTAYNLUNAMAYEV-JOCHJYFZSA-N 0 0 401.462 5.182 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006782329 569120441 /nfs/dbraw/zinc/12/04/41/569120441.db2.gz PTAYNLUNAMAYEV-QFIPXVFZSA-N 0 0 401.462 5.182 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000006782938 557720782 /nfs/dbraw/zinc/72/07/82/557720782.db2.gz HTHDFUAMEBBZMW-QHCPKHFHSA-N 0 0 408.567 6.081 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000006782939 557720746 /nfs/dbraw/zinc/72/07/46/557720746.db2.gz HTHDFUAMEBBZMW-HSZRJFAPSA-N 0 0 408.567 6.081 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000006782990 569120672 /nfs/dbraw/zinc/12/06/72/569120672.db2.gz FDAHVWWXTICVJP-OAQYLSRUSA-N 0 0 422.481 5.062 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006782994 569120628 /nfs/dbraw/zinc/12/06/28/569120628.db2.gz ASXHMLNWRVRLIG-OAQYLSRUSA-N 0 0 422.481 5.062 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000006782995 569120651 /nfs/dbraw/zinc/12/06/51/569120651.db2.gz FDAHVWWXTICVJP-NRFANRHFSA-N 0 0 422.481 5.062 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006782999 569120607 /nfs/dbraw/zinc/12/06/07/569120607.db2.gz ASXHMLNWRVRLIG-NRFANRHFSA-N 0 0 422.481 5.062 50 30 HKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000006783787 569120873 /nfs/dbraw/zinc/12/08/73/569120873.db2.gz UDMJQHMFQANSNU-UHFFFAOYSA-N 0 0 412.493 5.215 50 30 HKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cc(C)cc(C)c2)c2c(C)oc(C)c21 ZINC000006783939 521637809 /nfs/dbraw/zinc/63/78/09/521637809.db2.gz UQEZSAYHLZZEAN-UHFFFAOYSA-N 0 0 413.517 6.349 50 30 HKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000006783941 569120604 /nfs/dbraw/zinc/12/06/04/569120604.db2.gz LXMPDMMESNUXGJ-UHFFFAOYSA-N 0 0 415.489 5.741 50 30 HKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000006783943 569120668 /nfs/dbraw/zinc/12/06/68/569120668.db2.gz PKVYANCZZCQKTD-UHFFFAOYSA-N 0 0 415.489 5.741 50 30 HKEARN CCOc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1O ZINC000006783970 569120645 /nfs/dbraw/zinc/12/06/45/569120645.db2.gz XCCWCYKWEIHPIO-DHDCSXOGSA-N 0 0 409.294 5.830 50 30 HKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000006784058 569120580 /nfs/dbraw/zinc/12/05/80/569120580.db2.gz UNSVDUCJZOPYSR-JOCHJYFZSA-N 0 0 417.436 5.007 50 30 HKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000006784059 569120599 /nfs/dbraw/zinc/12/05/99/569120599.db2.gz UNSVDUCJZOPYSR-QFIPXVFZSA-N 0 0 417.436 5.007 50 30 HKEARN COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC#N ZINC000006789693 560634948 /nfs/dbraw/zinc/63/49/48/560634948.db2.gz AIIYEXXRPNZFSQ-RIYZIHGNSA-N 0 0 400.434 5.042 50 30 HKEARN COc1cc2nc(/N=C/c3cc(Cl)c(Cl)cc3O)sc2c(OC)c1OC ZINC000006793359 557721573 /nfs/dbraw/zinc/72/15/73/557721573.db2.gz UEGYZFPIFXYGSW-IFRROFPPSA-N 0 0 413.282 5.085 50 30 HKEARN COc1ccc(C2=C(N3CCN(c4cccc(C)c4C)CC3)c3ccccc3C2=O)cc1 ZINC000006793399 132316686 /nfs/dbraw/zinc/31/66/86/132316686.db2.gz CWDOSSXWTYUPAV-UHFFFAOYSA-N 0 0 424.544 5.199 50 30 HKEARN COc1ccc(C2=C(N3CCN(c4cc(C)ccc4C)CC3)c3ccccc3C2=O)cc1 ZINC000006793407 132316635 /nfs/dbraw/zinc/31/66/35/132316635.db2.gz USDARCVFJBRZML-UHFFFAOYSA-N 0 0 424.544 5.199 50 30 HKEARN COc1ccc(C2=C(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3C2=O)cc1 ZINC000006793617 132316697 /nfs/dbraw/zinc/31/66/97/132316697.db2.gz UWZWOIJXIIUWNW-FQEVSTJZSA-N 0 0 424.544 5.279 50 30 HKEARN N#CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1 ZINC000006808544 526453853 /nfs/dbraw/zinc/45/38/53/526453853.db2.gz OGVDSNKFXONUNG-UHFFFAOYSA-N 0 0 410.951 6.235 50 30 HKEARN C=CCOc1ccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)cc1 ZINC000006809652 519028994 /nfs/dbraw/zinc/02/89/94/519028994.db2.gz JSDREJJAZPXZEM-UHFFFAOYSA-N 0 0 404.443 5.306 50 30 HKEARN Cc1ccc(Nc2cc(NC3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000006813102 569136812 /nfs/dbraw/zinc/13/68/12/569136812.db2.gz VZGXXRKFRPYXNU-SGWCAAJKSA-N 0 0 423.516 6.393 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000006813150 569136707 /nfs/dbraw/zinc/13/67/07/569136707.db2.gz VKCACPDTHBCPBG-MDOTZGTBSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000006813205 569136862 /nfs/dbraw/zinc/13/68/62/569136862.db2.gz YYLIGNJEXNIHPT-CJFMBICVSA-N 0 0 417.508 5.690 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000006813206 569136818 /nfs/dbraw/zinc/13/68/18/569136818.db2.gz YYLIGNJEXNIHPT-NBGIEHNGSA-N 0 0 417.508 5.690 50 30 HKEARN Cc1ccc([C@@H]2C3=C(NC4=C2C(=O)C[C@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000006813242 569136778 /nfs/dbraw/zinc/13/67/78/569136778.db2.gz YYLIGNJEXNIHPT-NLFFAJNJSA-N 0 0 417.508 5.690 50 30 HKEARN Cc1ccc([C@@H]2C3=C(NC4=C2C(=O)C[C@@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000006813243 569136816 /nfs/dbraw/zinc/13/68/16/569136816.db2.gz YYLIGNJEXNIHPT-CPJSRVTESA-N 0 0 417.508 5.690 50 30 HKEARN Cc1ccc(N=C2N=C3CC(C)(C)CC4=C3[C@]3(CC(C)(C)C[C@@](C)(C4)C3)S2)cc1 ZINC000006814274 525969098 /nfs/dbraw/zinc/96/90/98/525969098.db2.gz NYCJUKCQRIAGFM-CLJLJLNGSA-N 0 0 406.639 7.288 50 30 HKEARN Cc1ccc(N=C2N=C3CC(C)(C)CC4=C3[C@@]3(CC(C)(C)C[C@](C)(C4)C3)S2)cc1 ZINC000006814277 525967451 /nfs/dbraw/zinc/96/74/51/525967451.db2.gz NYCJUKCQRIAGFM-UIOOFZCWSA-N 0 0 406.639 7.288 50 30 HKEARN Cc1ccc(Cl)cc1NC1=NC(=S)N([C@H](C)c2ccccc2)C12CCCCC2 ZINC000006815314 557724894 /nfs/dbraw/zinc/72/48/94/557724894.db2.gz NERPTVUKYNNOIH-QGZVFWFLSA-N 0 0 412.002 6.333 50 30 HKEARN Cc1ccc2occ(/C=C/C(=O)c3cc4ccc5ccccc5c4oc3=O)c(=O)c2c1 ZINC000006815573 569137499 /nfs/dbraw/zinc/13/74/99/569137499.db2.gz HQNUUPPWGVCBAT-MDZDMXLPSA-N 0 0 408.409 5.257 50 30 biogenic HKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1 ZINC000006817860 569138696 /nfs/dbraw/zinc/13/86/96/569138696.db2.gz YCZVTVMRNOBRKL-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1 ZINC000006817863 525987918 /nfs/dbraw/zinc/98/79/18/525987918.db2.gz YCZVTVMRNOBRKL-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000006817865 569138722 /nfs/dbraw/zinc/13/87/22/569138722.db2.gz LUAISUFMXUMXMY-LJQANCHMSA-N 0 0 416.978 5.626 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000006817866 569138662 /nfs/dbraw/zinc/13/86/62/569138662.db2.gz LUAISUFMXUMXMY-IBGZPJMESA-N 0 0 416.978 5.626 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000006817986 568459593 /nfs/dbraw/zinc/45/95/93/568459593.db2.gz ZEZHFNANNZXJIV-LJQANCHMSA-N 0 0 416.978 5.626 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000006817988 569138835 /nfs/dbraw/zinc/13/88/35/569138835.db2.gz ZEZHFNANNZXJIV-IBGZPJMESA-N 0 0 416.978 5.626 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006818012 569138937 /nfs/dbraw/zinc/13/89/37/569138937.db2.gz IRZDDMHMTKIOAB-LJQANCHMSA-N 0 0 400.523 5.112 50 30 HKEARN CCCCCCSc1nc2n(n1)[C@@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006818014 569138909 /nfs/dbraw/zinc/13/89/09/569138909.db2.gz IRZDDMHMTKIOAB-IBGZPJMESA-N 0 0 400.523 5.112 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000006819633 557725038 /nfs/dbraw/zinc/72/50/38/557725038.db2.gz WKJFJXPUKPJZCZ-DYVFJYSZSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000006819636 525229229 /nfs/dbraw/zinc/22/92/29/525229229.db2.gz WKJFJXPUKPJZCZ-GUYCJALGSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000006819638 525396807 /nfs/dbraw/zinc/39/68/07/525396807.db2.gz WKJFJXPUKPJZCZ-CXAGYDPISA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000006819641 525229066 /nfs/dbraw/zinc/22/90/66/525229066.db2.gz WKJFJXPUKPJZCZ-SUMWQHHRSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000006819690 557724999 /nfs/dbraw/zinc/72/49/99/557724999.db2.gz LJFJBKHTYFFELB-ZBFHGGJFSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000006819692 557725065 /nfs/dbraw/zinc/72/50/65/557725065.db2.gz LJFJBKHTYFFELB-HOCLYGCPSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000006819695 557725042 /nfs/dbraw/zinc/72/50/42/557725042.db2.gz LJFJBKHTYFFELB-GDBMZVCRSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000006819697 557725050 /nfs/dbraw/zinc/72/50/50/557725050.db2.gz LJFJBKHTYFFELB-GOEBONIOSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 ZINC000006819730 557724993 /nfs/dbraw/zinc/72/49/93/557724993.db2.gz OJCMLFSYPJNBLZ-CJNGLKHVSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1 ZINC000006819733 557725072 /nfs/dbraw/zinc/72/50/72/557725072.db2.gz OJCMLFSYPJNBLZ-BBRMVZONSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 ZINC000006819736 557725254 /nfs/dbraw/zinc/72/52/54/557725254.db2.gz OJCMLFSYPJNBLZ-CZUORRHYSA-N 0 0 416.304 5.006 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1 ZINC000006819739 525227961 /nfs/dbraw/zinc/22/79/61/525227961.db2.gz OJCMLFSYPJNBLZ-XJKSGUPXSA-N 0 0 416.304 5.006 50 30 HKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 ZINC000006820166 569139360 /nfs/dbraw/zinc/13/93/60/569139360.db2.gz GRPXUDBGJMNRQX-UHFFFAOYSA-N 0 0 406.338 5.642 50 30 HKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 ZINC000006820240 569139342 /nfs/dbraw/zinc/13/93/42/569139342.db2.gz NPBQJFUJSOAEFC-UHFFFAOYSA-N 0 0 400.503 5.180 50 30 HKEARN Cc1c(Cl)ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1Cl ZINC000006825118 569387440 /nfs/dbraw/zinc/38/74/40/569387440.db2.gz XFBDPUXCPJMUQI-UHFFFAOYSA-N 0 0 413.329 6.577 50 30 HKEARN COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000006825576 569140860 /nfs/dbraw/zinc/14/08/60/569140860.db2.gz SZOJTGOCDRRNIE-CAOOACKPSA-N 0 0 414.501 6.108 50 30 HKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(C(F)(F)F)C1(F)F ZINC000006827603 557725830 /nfs/dbraw/zinc/72/58/30/557725830.db2.gz LOQGSOTUHASIHI-JCYAYHJZSA-N 0 0 400.056 5.082 50 30 HKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000006827728 557725803 /nfs/dbraw/zinc/72/58/03/557725803.db2.gz FYJQJMIEZVMYSD-LURJTMIESA-N 0 0 416.055 5.014 50 30 in-vitro HKEARN Cn1cc(C(=O)/C=C/c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cn1 ZINC000006828155 569141705 /nfs/dbraw/zinc/14/17/05/569141705.db2.gz UFZNEOYPFUBMBO-SNAWJCMRSA-N 0 0 411.672 5.448 50 30 HKEARN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1cccc(OC)c1 ZINC000006828777 569142829 /nfs/dbraw/zinc/14/28/29/569142829.db2.gz NCMWMJHBINUJLE-UHFFFAOYSA-N 0 0 409.555 5.467 50 30 HKEARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1/N=C/c1ccc(Cl)cc1 ZINC000006828971 569142440 /nfs/dbraw/zinc/14/24/40/569142440.db2.gz ADPAIHUUMFCKMM-LSHDLFTRSA-N 0 0 409.725 6.711 50 30 HKEARN N#Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCC2 ZINC000006829236 569142694 /nfs/dbraw/zinc/14/26/94/569142694.db2.gz XZQSBCQHMCOAIP-UHFFFAOYSA-N 0 0 407.347 6.272 50 30 HKEARN O=C(Nc1ccccc1C(F)(F)F)c1ccsc1/N=C/c1ccc(Cl)cc1 ZINC000006829303 569142822 /nfs/dbraw/zinc/14/28/22/569142822.db2.gz YUWBXZQXUKYKBB-BHGWPJFGSA-N 0 0 408.832 6.423 50 30 HKEARN CN(Cc1ccccc1)N/C(=N\c1ccc([N+](=O)[O-])cc1)C(Cl)=C(Cl)Cl ZINC000006830352 569143979 /nfs/dbraw/zinc/14/39/79/569143979.db2.gz QARQYKVXGOGDSK-UHFFFAOYSA-N 0 0 413.692 5.147 50 30 HKEARN Cc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000006831104 569147472 /nfs/dbraw/zinc/14/74/72/569147472.db2.gz BAICESALDTVMEW-QHCPKHFHSA-N 0 0 410.546 5.778 50 30 HKEARN Cc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000006831105 569147425 /nfs/dbraw/zinc/14/74/25/569147425.db2.gz BAICESALDTVMEW-HSZRJFAPSA-N 0 0 410.546 5.778 50 30 HKEARN N#CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000006831283 569147457 /nfs/dbraw/zinc/14/74/57/569147457.db2.gz YFEJFKXPXIXVSA-UHFFFAOYSA-N 0 0 408.836 5.612 50 30 HKEARN C=CCn1c(C)cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1C ZINC000006832189 569148037 /nfs/dbraw/zinc/14/80/37/569148037.db2.gz WXIOFWUQOSPGOB-UHFFFAOYSA-N 0 0 403.309 5.716 50 30 HKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000006839824 569151202 /nfs/dbraw/zinc/15/12/02/569151202.db2.gz QODTXMLAMCNUOZ-UHFFFAOYSA-N 0 0 403.894 5.203 50 30 HKEARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000006840816 569151456 /nfs/dbraw/zinc/15/14/56/569151456.db2.gz WQYQMVNTBPRVBN-LBPRGKRZSA-N 0 0 413.852 5.181 50 30 HKEARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000006840819 569151490 /nfs/dbraw/zinc/15/14/90/569151490.db2.gz WQYQMVNTBPRVBN-GFCCVEGCSA-N 0 0 413.852 5.181 50 30 HKEARN COc1cccc(C(=O)/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 ZINC000006841805 525780253 /nfs/dbraw/zinc/78/02/53/525780253.db2.gz TZYSDJJQYRYSJF-XYOKQWHBSA-N 0 0 405.475 5.959 50 30 HKEARN COc1cccc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)c1OC ZINC000006848462 525767221 /nfs/dbraw/zinc/76/72/21/525767221.db2.gz FTIRWJCUWNCXMC-UUASQNMZSA-N 0 0 409.294 5.743 50 30 HKEARN COc1cccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c1OC ZINC000006848473 569153658 /nfs/dbraw/zinc/15/36/58/569153658.db2.gz QKGGLGKRHHIKQJ-NVNXTCNLSA-N 0 0 409.294 5.743 50 30 HKEARN COc1cccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1OC ZINC000006848490 569153645 /nfs/dbraw/zinc/15/36/45/569153645.db2.gz WNYBLRRPXXIZRB-ZROIWOOFSA-N 0 0 409.294 5.743 50 30 HKEARN COc1cccc(C=C2SC(=Nc3ccccc3C(F)(F)F)NC2=O)c1OC ZINC000006848501 569153683 /nfs/dbraw/zinc/15/36/83/569153683.db2.gz RQUNSCADUQMZAM-GDNBJRDFSA-N 0 0 408.401 5.455 50 30 HKEARN C=CCN(C(=O)CCc1ccco1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000006848689 569154062 /nfs/dbraw/zinc/15/40/62/569154062.db2.gz LPSUECVFDLXEMA-UHFFFAOYSA-N 0 0 418.518 5.717 50 30 HKEARN N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000006849687 569153982 /nfs/dbraw/zinc/15/39/82/569153982.db2.gz DYAOGRZDIGYXIP-IBGZPJMESA-N 0 0 402.548 5.282 50 30 HKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000006849692 569154014 /nfs/dbraw/zinc/15/40/14/569154014.db2.gz DYAOGRZDIGYXIP-LJQANCHMSA-N 0 0 402.548 5.282 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(F)(F)F)cc1 ZINC000006855830 569155608 /nfs/dbraw/zinc/15/56/08/569155608.db2.gz UZERMYMUKNELDO-IBGZPJMESA-N 0 0 417.471 6.519 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000006856323 520809060 /nfs/dbraw/zinc/80/90/60/520809060.db2.gz NGDRTKYKONSWOP-JOCHJYFZSA-N 0 0 404.485 5.068 50 30 HKEARN C=CCn1c(CSc2ccccc2)nn(CC(=O)c2ccc(Cl)cc2)c1=S ZINC000006856361 519190378 /nfs/dbraw/zinc/19/03/78/519190378.db2.gz MCCMAUVZNMOYDS-UHFFFAOYSA-N 0 0 415.971 5.429 50 30 HKEARN COc1ccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c(OC)c1 ZINC000006858461 569156975 /nfs/dbraw/zinc/15/69/75/569156975.db2.gz STNHJJKPNURJEW-APSNUPSMSA-N 0 0 409.294 5.743 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1C ZINC000006861264 519221679 /nfs/dbraw/zinc/22/16/79/519221679.db2.gz HYOGUKXUVSNUGK-UHFFFAOYSA-N 0 0 414.534 5.324 50 30 HKEARN CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl ZINC000006879924 569165346 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O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006896216 527611716 /nfs/dbraw/zinc/61/17/16/527611716.db2.gz QGUUBUYNGHJJSY-WEVVVXLNSA-N 0 0 415.833 5.043 50 30 HKEARN N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)/c1=N/c1ccccc1 ZINC000006896716 569175932 /nfs/dbraw/zinc/17/59/32/569175932.db2.gz NWEYXSYNYNJLAS-SHHOIMCASA-N 0 0 405.417 5.124 50 30 HKEARN COc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@@]23CCOC(C)(C)C3)c1 ZINC000006898322 569176353 /nfs/dbraw/zinc/17/63/53/569176353.db2.gz KUEHFIAICQJSIN-DEOSSOPVSA-N 0 0 423.582 5.476 50 30 HKEARN COc1cccc(N2C(=S)N=C(Nc3ccccc3C)[C@]23CCOC(C)(C)C3)c1 ZINC000006898383 526141952 /nfs/dbraw/zinc/14/19/52/526141952.db2.gz ABZNJIHBBUSBML-HSZRJFAPSA-N 0 0 409.555 5.167 50 30 HKEARN N=C(NC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 ZINC000006898926 526815899 /nfs/dbraw/zinc/81/58/99/526815899.db2.gz BUXBZRVLPIWOPU-LJQANCHMSA-N 0 0 402.479 5.665 50 30 HKEARN C=CCn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 ZINC000006907588 569178615 /nfs/dbraw/zinc/17/86/15/569178615.db2.gz JFYGPZCTBLKNCR-UHFFFAOYSA-N 0 0 400.507 5.611 50 30 HKEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)c1C ZINC000006908994 569178717 /nfs/dbraw/zinc/17/87/17/569178717.db2.gz STIHXTLGCNWSSV-UHFFFAOYSA-N 0 0 415.562 5.913 50 30 HKEARN CC(C)c1cccc(C(C)C)c1NC(=NC#N)Nc1c(C(C)C)cccc1C(C)C ZINC000006910125 569178928 /nfs/dbraw/zinc/17/89/28/569178928.db2.gz UYJYABJJLBRZRN-UHFFFAOYSA-N 0 0 404.602 7.350 50 30 HKEARN C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccoc1C ZINC000006911530 568463514 /nfs/dbraw/zinc/46/35/14/568463514.db2.gz SANVPHARWLIDDK-UHFFFAOYSA-N 0 0 407.495 5.048 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920421 291291453 /nfs/dbraw/zinc/29/14/53/291291453.db2.gz IGGUPRCHHJZPBS-UHFFFAOYSA-N 0 0 408.799 11.559 50 30 endogenous,in-man HKEARN Fc1ccc(COc2ccccc2CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000006926826 557730396 /nfs/dbraw/zinc/73/03/96/557730396.db2.gz RRXUZZNGAAMFTN-OXUBWTJQSA-N 0 0 410.317 5.546 50 30 HKEARN Fc1ccccc1COc1cccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000006926923 526412062 /nfs/dbraw/zinc/41/20/62/526412062.db2.gz QTJWXVKUBRYCHS-OXUBWTJQSA-N 0 0 410.317 5.546 50 30 HKEARN O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000006927239 557730473 /nfs/dbraw/zinc/73/04/73/557730473.db2.gz FQSYFLALSBWNRK-NVTWWLNUSA-N 0 0 412.942 5.982 50 30 HKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccccc2)o1 ZINC000006927871 557730599 /nfs/dbraw/zinc/73/05/99/557730599.db2.gz CUWPMJSSJVWZFW-MWRNPHMMSA-N 0 0 402.269 5.968 50 30 HKEARN N#CCCN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 ZINC000006928471 526452009 /nfs/dbraw/zinc/45/20/09/526452009.db2.gz NKXSGKHLAPAPRU-UHFFFAOYSA-N 0 0 405.907 5.128 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc(Cl)cc3)c1[C@H]2c1ccccc1 ZINC000006935532 569186226 /nfs/dbraw/zinc/18/62/26/569186226.db2.gz BNVZMQRNINDBRT-IBGZPJMESA-N 0 0 403.913 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc(Cl)cc3)c1[C@@H]2c1ccccc1 ZINC000006935534 569186221 /nfs/dbraw/zinc/18/62/21/569186221.db2.gz BNVZMQRNINDBRT-LJQANCHMSA-N 0 0 403.913 5.931 50 30 HKEARN COc1ccccc1[C@@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935544 569186229 /nfs/dbraw/zinc/18/62/29/569186229.db2.gz YOHMFCKRWVOKBH-NRFANRHFSA-N 0 0 413.521 5.594 50 30 HKEARN COc1ccccc1[C@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006935547 524819016 /nfs/dbraw/zinc/81/90/16/524819016.db2.gz YOHMFCKRWVOKBH-OAQYLSRUSA-N 0 0 413.521 5.594 50 30 HKEARN C=CCN(C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1 ZINC000006935871 569186365 /nfs/dbraw/zinc/18/63/65/569186365.db2.gz NGKAGMUHAFZUEF-UHFFFAOYSA-N 0 0 405.929 5.763 50 30 HKEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000006941742 568465121 /nfs/dbraw/zinc/46/51/21/568465121.db2.gz RJDHRNMVNUKYNY-HZRSJKMUSA-N 0 0 414.457 5.300 50 30 HKEARN N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000006947071 569188479 /nfs/dbraw/zinc/18/84/79/569188479.db2.gz VIDVWUNZVMJWTD-FQEVSTJZSA-N 0 0 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Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 ZINC000006998948 557733153 /nfs/dbraw/zinc/73/31/53/557733153.db2.gz FKQQUOWYCRPCND-BHGWPJFGSA-N 0 0 401.680 7.206 50 30 HKEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000007006675 569199396 /nfs/dbraw/zinc/19/93/96/569199396.db2.gz NIIHJULCAZFHFY-UHFFFAOYSA-N 0 0 414.465 5.038 50 30 HKEARN CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2cccc(C)c2)cc1 ZINC000007034488 569208791 /nfs/dbraw/zinc/20/87/91/569208791.db2.gz LZNYKRTUUTZIKF-SFHVURJKSA-N 0 0 417.538 5.177 50 30 HKEARN CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2cccc(C)c2)cc1 ZINC000007034490 569208824 /nfs/dbraw/zinc/20/88/24/569208824.db2.gz LZNYKRTUUTZIKF-GOSISDBHSA-N 0 0 417.538 5.177 50 30 HKEARN COc1ccccc1/C=C\C(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000007036890 569209055 /nfs/dbraw/zinc/20/90/55/569209055.db2.gz TYMZHGWQKNSESY-KAMYIIQDSA-N 0 0 415.876 5.753 50 30 HKEARN C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC(C)(C)C ZINC000007040302 569206739 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C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccoc1C ZINC000007087176 519246460 /nfs/dbraw/zinc/24/64/60/519246460.db2.gz GNODLECVWBLWEY-UHFFFAOYSA-N 0 0 413.890 5.028 50 30 HKEARN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 ZINC000007087896 569217623 /nfs/dbraw/zinc/21/76/23/569217623.db2.gz QTWWQHGOASBHAE-AREMUKBSSA-N 0 0 420.516 5.364 50 30 HKEARN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 ZINC000007087898 569217621 /nfs/dbraw/zinc/21/76/21/569217621.db2.gz QTWWQHGOASBHAE-SANMLTNESA-N 0 0 420.516 5.364 50 30 HKEARN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 ZINC000007088037 526467604 /nfs/dbraw/zinc/46/76/04/526467604.db2.gz PSCRPRMTQZIAGS-RUZDIDTESA-N 0 0 406.489 5.322 50 30 HKEARN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 ZINC000007088038 569217587 /nfs/dbraw/zinc/21/75/87/569217587.db2.gz PSCRPRMTQZIAGS-VWLOTQADSA-N 0 0 406.489 5.322 50 30 HKEARN C=CCn1c(SCC(=O)N[C@H](c2cccs2)c2ccccc2)nc2ccccc21 ZINC000007098340 519209107 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Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 ZINC000007427414 569238368 /nfs/dbraw/zinc/23/83/68/569238368.db2.gz AGHKGTJACSLMHT-LJQANCHMSA-N 0 0 422.985 6.249 50 30 HKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3)c2c1 ZINC000007452723 518616947 /nfs/dbraw/zinc/61/69/47/518616947.db2.gz ZPZVZHNISQQFCI-UHFFFAOYSA-N 0 0 413.473 6.316 50 30 HKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cn(CC)c2ccccc12 ZINC000007459131 519192366 /nfs/dbraw/zinc/19/23/66/519192366.db2.gz NCXZRCJZUGHSDW-UHFFFAOYSA-N 0 0 416.550 5.005 50 30 HKEARN C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccccc1F ZINC000007459237 519232992 /nfs/dbraw/zinc/23/29/92/519232992.db2.gz YQTBSWVRUUIDAT-UHFFFAOYSA-N 0 0 420.513 5.220 50 30 HKEARN COc1cc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)ccc1OC(F)F ZINC000007587239 560635705 /nfs/dbraw/zinc/63/57/05/560635705.db2.gz HJFOIUSJSKNRLC-YCRREMRBSA-N 0 0 418.465 5.098 50 30 HKEARN CSc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000007599694 569288217 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C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000007721180 569302578 /nfs/dbraw/zinc/30/25/78/569302578.db2.gz VAPFMFUPDZPKNQ-UHFFFAOYSA-N 0 0 423.516 5.392 50 30 HKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3cccs3)c2c1=O ZINC000007735745 569304743 /nfs/dbraw/zinc/30/47/43/569304743.db2.gz KPPIANIYCHARSA-UHFFFAOYSA-N 0 0 415.565 5.270 50 30 HKEARN O=C1CCCC2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000007736263 526966453 /nfs/dbraw/zinc/96/64/53/526966453.db2.gz ILIHBEZKTMFHBS-LJQANCHMSA-N 0 0 411.292 5.274 50 30 HKEARN O=C1CCCC2=Nc3nc(-c4ccc(Cl)cc4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000007736264 569304958 /nfs/dbraw/zinc/30/49/58/569304958.db2.gz ILIHBEZKTMFHBS-IBGZPJMESA-N 0 0 411.292 5.274 50 30 HKEARN CCOc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000007736266 569304942 /nfs/dbraw/zinc/30/49/42/569304942.db2.gz VZMRCHPSJJULHI-OAQYLSRUSA-N 0 0 420.900 5.019 50 30 HKEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000007736267 569304919 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HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2ccccc21 ZINC000007777877 569266600 /nfs/dbraw/zinc/26/66/00/569266600.db2.gz LWYCMUQAICNBGJ-VHEBQXMUSA-N 0 0 400.481 6.589 50 30 HKEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000007778391 569308953 /nfs/dbraw/zinc/30/89/53/569308953.db2.gz NAQRAUKBFDFZIP-UHFFFAOYSA-N 0 0 416.937 5.811 50 30 HKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc(F)cc1 ZINC000007778760 569309033 /nfs/dbraw/zinc/30/90/33/569309033.db2.gz UGQZNKNPTSHFJX-HSZRJFAPSA-N 0 0 409.468 5.861 50 30 HKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(F)cc1 ZINC000007778761 569309055 /nfs/dbraw/zinc/30/90/55/569309055.db2.gz UGQZNKNPTSHFJX-QHCPKHFHSA-N 0 0 409.468 5.861 50 30 HKEARN CN1c2ccc([N+](=O)[O-])cc2C[C@@](C#N)(c2nc3ccccc3s2)C12CCCCC2 ZINC000007779468 569309219 /nfs/dbraw/zinc/30/92/19/569309219.db2.gz KNALBRLNDONHRV-JOCHJYFZSA-N 0 0 418.522 5.361 50 30 HKEARN CN1c2ccc([N+](=O)[O-])cc2C[C@](C#N)(c2nc3ccccc3s2)C12CCCCC2 ZINC000007779469 524033133 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C=CCNc1nc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cs1 ZINC000007781252 569309964 /nfs/dbraw/zinc/30/99/64/569309964.db2.gz GPJCJHALBQRXOF-NRFANRHFSA-N 0 0 417.490 5.003 50 30 HKEARN C=CCNc1nc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cs1 ZINC000007781254 569309966 /nfs/dbraw/zinc/30/99/66/569309966.db2.gz GPJCJHALBQRXOF-OAQYLSRUSA-N 0 0 417.490 5.003 50 30 HKEARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000007781701 569309980 /nfs/dbraw/zinc/30/99/80/569309980.db2.gz FDNGZAIOYKCAJI-GOSISDBHSA-N 0 0 416.546 5.659 50 30 HKEARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000007781704 569309944 /nfs/dbraw/zinc/30/99/44/569309944.db2.gz FDNGZAIOYKCAJI-SFHVURJKSA-N 0 0 416.546 5.659 50 30 HKEARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000007786474 569310350 /nfs/dbraw/zinc/31/03/50/569310350.db2.gz QTFCNWHGFNZVCC-UHFFFAOYSA-N 0 0 414.574 7.209 50 30 HKEARN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(-c2ccccc2)n1 ZINC000007884399 569315171 /nfs/dbraw/zinc/31/51/71/569315171.db2.gz XMNYVNWABFSCDX-RUZDIDTESA-N 0 0 419.488 5.235 50 30 HKEARN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(-c2ccccc2)n1 ZINC000007884401 569315125 /nfs/dbraw/zinc/31/51/25/569315125.db2.gz XMNYVNWABFSCDX-VWLOTQADSA-N 0 0 419.488 5.235 50 30 HKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000007980483 560620096 /nfs/dbraw/zinc/62/00/96/560620096.db2.gz VIZCNBHNEQGIED-UHFFFAOYSA-N 0 0 416.930 5.414 50 30 HKEARN C=CCN(C(=O)c1cc2c(C)nn(CC(C)C)c2s1)c1nc2c(s1)CCCC2 ZINC000007980939 568963681 /nfs/dbraw/zinc/96/36/81/568963681.db2.gz WHZGOKBUJSTYFL-UHFFFAOYSA-N 0 0 414.600 5.230 50 30 HKEARN C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000007981249 519250447 /nfs/dbraw/zinc/25/04/47/519250447.db2.gz VEYUBIZFEDCEJQ-GOSISDBHSA-N 0 0 413.930 5.181 50 30 HKEARN C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000007981252 519255096 /nfs/dbraw/zinc/25/50/96/519255096.db2.gz VEYUBIZFEDCEJQ-SFHVURJKSA-N 0 0 413.930 5.181 50 30 HKEARN C=CCn1c(C)nnc1SCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C ZINC000007985565 568964294 /nfs/dbraw/zinc/96/42/94/568964294.db2.gz BXLSWTMYOVSHAM-UHFFFAOYSA-N 0 0 421.570 5.050 50 30 HKEARN Cc1ccc(-c2oc(NC(=O)c3ccccc3F)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000007986526 568964657 /nfs/dbraw/zinc/96/46/57/568964657.db2.gz VLFMDGGZFIHUPJ-UHFFFAOYSA-N 0 0 410.448 6.494 50 30 HKEARN COc1ccc2cc([C@H](C)C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 ZINC000007986645 568964849 /nfs/dbraw/zinc/96/48/49/568964849.db2.gz RTWLSFSMXBNNKQ-HNNXBMFYSA-N 0 0 413.502 5.586 50 30 HKEARN COc1ccc2cc([C@@H](C)C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 ZINC000007986646 568964869 /nfs/dbraw/zinc/96/48/69/568964869.db2.gz RTWLSFSMXBNNKQ-OAHLLOKOSA-N 0 0 413.502 5.586 50 30 HKEARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000007987901 568965627 /nfs/dbraw/zinc/96/56/27/568965627.db2.gz ZYOSDPLVZVSUIH-UHFFFAOYSA-N 0 0 402.475 5.057 50 30 HKEARN Cc1noc(C)c1COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000007989634 568966503 /nfs/dbraw/zinc/96/65/03/568966503.db2.gz ZLAWEICLIQVPTB-CYBMUJFWSA-N 0 0 421.522 5.181 50 30 HKEARN Cc1noc(C)c1COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000007989635 568966554 /nfs/dbraw/zinc/96/65/54/568966554.db2.gz ZLAWEICLIQVPTB-ZDUSSCGKSA-N 0 0 421.522 5.181 50 30 HKEARN Cc1cc(C)cc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(Br)cc2)c1 ZINC000008008226 524355940 /nfs/dbraw/zinc/35/59/40/524355940.db2.gz VUVYJXPVPQXYJF-AWEZNQCLSA-N 0 0 413.344 5.318 50 30 HKEARN Cc1cc(C)cc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(Br)cc2)c1 ZINC000008008227 524357033 /nfs/dbraw/zinc/35/70/33/524357033.db2.gz VUVYJXPVPQXYJF-CQSZACIVSA-N 0 0 413.344 5.318 50 30 HKEARN Cc1nc(SCC(=O)c2cn(CCC#N)c3ccccc23)n(C2CCCCC2)c1C ZINC000008012941 568968432 /nfs/dbraw/zinc/96/84/32/568968432.db2.gz YXXHHTXYMZKUHW-UHFFFAOYSA-N 0 0 420.582 5.849 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000008022571 560206718 /nfs/dbraw/zinc/20/67/18/560206718.db2.gz KOCSVLPLQCBIGW-UHFFFAOYSA-N 0 0 419.650 7.018 50 30 in-vitro HKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000008035014 557770745 /nfs/dbraw/zinc/77/07/45/557770745.db2.gz QQBPLXNESPTPNU-KTKRTIGZSA-N 0 0 417.634 6.794 50 30 aggregator,in-vivo HKEARN CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000008035022 557770791 /nfs/dbraw/zinc/77/07/91/557770791.db2.gz XOMRRQXKHMYMOC-OAQYLSRUSA-O 0 0 400.624 5.560 50 30 endogenous,in-man HKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000008036019 519969149 /nfs/dbraw/zinc/96/91/49/519969149.db2.gz OPZKBPQVWDSATI-KHPPLWFESA-N 0 0 417.634 7.055 50 30 in-man HKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2c2cccs2)c1C#N ZINC000008072224 568971564 /nfs/dbraw/zinc/97/15/64/568971564.db2.gz PBUWXYSBYNXCFU-HXUWFJFHSA-N 0 0 410.587 5.319 50 30 HKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2c2cccs2)c1C#N ZINC000008072228 568971482 /nfs/dbraw/zinc/97/14/82/568971482.db2.gz PBUWXYSBYNXCFU-FQEVSTJZSA-N 0 0 410.587 5.319 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNNc1ccc(Cl)c(Cl)c1 ZINC000008078375 568972989 /nfs/dbraw/zinc/97/29/89/568972989.db2.gz NXXIJSROJJQCMQ-YSURURNPSA-N 0 0 410.264 5.126 50 30 HKEARN N#CCC(=O)Nc1ccc(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 ZINC000008128627 568974818 /nfs/dbraw/zinc/97/48/18/568974818.db2.gz MNGBRSXGILXOEE-DEOSSOPVSA-N 0 0 411.505 5.033 50 30 HKEARN N#CCC(=O)Nc1ccc(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1 ZINC000008128632 568974920 /nfs/dbraw/zinc/97/49/20/568974920.db2.gz MNGBRSXGILXOEE-XMMPIXPASA-N 0 0 411.505 5.033 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1 ZINC000008132710 519246749 /nfs/dbraw/zinc/24/67/49/519246749.db2.gz ZZQHJECGPHJOSJ-UHFFFAOYSA-N 0 0 403.511 5.036 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000008132716 568975930 /nfs/dbraw/zinc/97/59/30/568975930.db2.gz PXYDBIAHSCTWFF-HRCADAONSA-N 0 0 418.994 5.055 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000008132717 568975887 /nfs/dbraw/zinc/97/58/87/568975887.db2.gz PXYDBIAHSCTWFF-BZUAXINKSA-N 0 0 418.994 5.055 50 30 HKEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n(C2CCCCC2)c1C ZINC000008134820 568976731 /nfs/dbraw/zinc/97/67/31/568976731.db2.gz DNQLAUSBQSIPOT-UHFFFAOYSA-N 0 0 414.600 5.158 50 30 HKEARN COc1ccc(N2C(=O)c3ccccc3NC23CCC(C#N)(c2ccccc2)CC3)cc1 ZINC000008156286 524398881 /nfs/dbraw/zinc/39/88/81/524398881.db2.gz QVEYBVFARGJUEV-UHFFFAOYSA-N 0 0 423.516 5.499 50 30 HKEARN N#CCCn1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c2ccccc21 ZINC000008156735 568978247 /nfs/dbraw/zinc/97/82/47/568978247.db2.gz MRELVBJSMKJKCX-UHFFFAOYSA-N 0 0 412.518 5.694 50 30 HKEARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nc(C)c(C)c(C)c2C#N)o1 ZINC000008190701 568981244 /nfs/dbraw/zinc/98/12/44/568981244.db2.gz BEAUKIKATGZDMF-UHFFFAOYSA-N 0 0 417.494 5.184 50 30 HKEARN COc1ccccc1N1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 ZINC000008191226 568981224 /nfs/dbraw/zinc/98/12/24/568981224.db2.gz IYXUWJULYKHPEZ-UHFFFAOYSA-N 0 0 423.516 5.499 50 30 HKEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(F)cc1 ZINC000008193349 526439108 /nfs/dbraw/zinc/43/91/08/526439108.db2.gz FGGPNRYERNPXFS-UHFFFAOYSA-N 0 0 411.480 5.630 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000008195638 560546208 /nfs/dbraw/zinc/54/62/08/560546208.db2.gz XOMRRQXKHMYMOC-NRFANRHFSA-O 0 0 400.624 5.560 50 30 biogenic,in-vitro HKEARN CCc1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008201014 568982440 /nfs/dbraw/zinc/98/24/40/568982440.db2.gz LXPAABIXLSNAMH-XIEYBQDHSA-N 0 0 419.481 5.451 50 30 HKEARN C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1OC ZINC000008206041 568982447 /nfs/dbraw/zinc/98/24/47/568982447.db2.gz SHMSOUAKUCTCGZ-UHFFFAOYSA-N 0 0 404.495 5.087 50 30 HKEARN CCCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000008214614 557776081 /nfs/dbraw/zinc/77/60/81/557776081.db2.gz PQLXHQMOHUQAKB-UHFFFAOYSA-O 0 0 408.584 6.308 50 30 fda HKEARN CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC ZINC000008218299 560207282 /nfs/dbraw/zinc/20/72/82/560207282.db2.gz GNSDEDOVXZDMKM-NRFANRHFSA-N 0 0 400.600 5.715 50 30 in-vitro HKEARN C=C(C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000008220435 560207601 /nfs/dbraw/zinc/20/76/01/560207601.db2.gz HHXYJYBYNZMZKX-PYQRSULMSA-N 0 0 410.730 9.054 50 30 in-vitro HKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000008221075 557776849 /nfs/dbraw/zinc/77/68/49/557776849.db2.gz CNNRPFQICPFDPO-UHFFFAOYSA-N 0 0 410.771 10.141 50 30 endogenous,world HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)c12 ZINC000008229803 568494479 /nfs/dbraw/zinc/49/44/79/568494479.db2.gz WRTVBEUDOIILBU-JLHYYAGUSA-N 0 0 409.411 5.698 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)c12 ZINC000008229813 519266111 /nfs/dbraw/zinc/26/61/11/519266111.db2.gz IMFDRDWENLLCNI-PKNBQFBNSA-N 0 0 410.304 5.986 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC)c(OC)c3)c12 ZINC000008229816 519266086 /nfs/dbraw/zinc/26/60/86/519266086.db2.gz RLQKIQPIDAWISI-ACCUITESSA-N 0 0 415.493 5.087 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3Cl)c12 ZINC000008231548 568495117 /nfs/dbraw/zinc/49/51/17/568495117.db2.gz XCDRCMMUBRDBSZ-PKNBQFBNSA-N 0 0 410.304 5.986 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/C=C/c1ccccc1 ZINC000008272675 568495801 /nfs/dbraw/zinc/49/58/01/568495801.db2.gz YNTDQAZWAHXOBK-NVXXTVOZSA-N 0 0 409.916 7.316 50 30 HKEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 ZINC000008277912 568987153 /nfs/dbraw/zinc/98/71/53/568987153.db2.gz HJBXFFGFAMIQCN-UHFFFAOYSA-N 0 0 403.894 5.203 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)c1ccccc1 ZINC000008306514 557780802 /nfs/dbraw/zinc/78/08/02/557780802.db2.gz SZTCFIPIIFKMDY-VWLOTQADSA-N 0 0 407.517 6.332 50 30 HKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(C(C)C)cc2)C1C(=O)c1ccccc1 ZINC000008306515 557780767 /nfs/dbraw/zinc/78/07/67/557780767.db2.gz SZTCFIPIIFKMDY-RUZDIDTESA-N 0 0 407.517 6.332 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccoc1C ZINC000008314335 568989601 /nfs/dbraw/zinc/98/96/01/568989601.db2.gz NMTMBWITTXMNHN-UHFFFAOYSA-N 0 0 413.890 5.028 50 30 HKEARN Cc1cccc(NN=C2c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000008320662 568990509 /nfs/dbraw/zinc/99/05/09/568990509.db2.gz CUHJMHAJWASUHD-YYADALCUSA-N 0 0 410.304 5.665 50 30 HKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000008325364 557781865 /nfs/dbraw/zinc/78/18/65/557781865.db2.gz RFNCFAXJYZNSAM-DEOSSOPVSA-N 0 0 416.521 5.000 50 30 HKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cccc(Oc2ccccc2)c1 ZINC000008337844 526315571 /nfs/dbraw/zinc/31/55/71/526315571.db2.gz WZQFTSLRTOOXQQ-FOCLMDBBSA-N 0 0 407.473 5.823 50 30 HKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000008339627 568993334 /nfs/dbraw/zinc/99/33/34/568993334.db2.gz PMQLFNHOUDQIKD-UHFFFAOYSA-N 0 0 418.971 5.291 50 30 HKEARN Cc1cccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2Cc2ccco2)c1 ZINC000008345118 568994167 /nfs/dbraw/zinc/99/41/67/568994167.db2.gz SOTZAMFIWRBAQK-NRFANRHFSA-N 0 0 400.507 5.122 50 30 HKEARN Cc1cccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2Cc2ccco2)c1 ZINC000008345119 568994187 /nfs/dbraw/zinc/99/41/87/568994187.db2.gz SOTZAMFIWRBAQK-OAQYLSRUSA-N 0 0 400.507 5.122 50 30 HKEARN O=C(Nc1cccc(/N=C/c2ccc([N+](=O)[O-])o2)c1)c1ccc(Cl)cc1Cl ZINC000008377804 557784554 /nfs/dbraw/zinc/78/45/54/557784554.db2.gz VTRHQUQAFUOJLA-UFFVCSGVSA-N 0 0 404.209 5.498 50 30 HKEARN CCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)cc1 ZINC000008383532 520031578 /nfs/dbraw/zinc/03/15/78/520031578.db2.gz MKORQODUAFMENK-NRFANRHFSA-N 0 0 423.597 6.328 50 30 HKEARN CCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)cc1 ZINC000008383534 557784989 /nfs/dbraw/zinc/78/49/89/557784989.db2.gz MKORQODUAFMENK-OAQYLSRUSA-N 0 0 423.597 6.328 50 30 HKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2F)cc1 ZINC000008383596 557784946 /nfs/dbraw/zinc/78/49/46/557784946.db2.gz YQPQQLMKYHHBQX-UHFFFAOYSA-N 0 0 402.506 6.573 50 30 HKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000008383714 519979130 /nfs/dbraw/zinc/97/91/30/519979130.db2.gz ZDNQUQWVDUNSBW-MHWRWJLKSA-N 0 0 422.521 6.358 50 30 HKEARN CCCCCCCCCCCCSCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000008383721 568996376 /nfs/dbraw/zinc/99/63/76/568996376.db2.gz DPBKXCQXLFMQCZ-UHFFFAOYSA-N 0 0 407.620 6.456 50 30 HKEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008383761 557784927 /nfs/dbraw/zinc/78/49/27/557784927.db2.gz YJYNEOWRYSAIGL-YIXHJXPBSA-N 0 0 416.857 5.143 50 30 HKEARN Cc1cc(C)c(C#C/C=C/c2cc3c(-c4ccccc4)cccc3c3ccccc23)c(C)c1 ZINC000008384074 524213015 /nfs/dbraw/zinc/21/30/15/524213015.db2.gz ZOEHGWNJFKXSAH-VGOFMYFVSA-N 0 0 422.571 8.650 50 30 HKEARN CCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000008384516 520050869 /nfs/dbraw/zinc/05/08/69/520050869.db2.gz TTZMPHUYFZNRFO-HTXNQAPBSA-N 0 0 418.566 5.491 50 30 HKEARN CCCCCCC[NH+]=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000008384522 568996373 /nfs/dbraw/zinc/99/63/73/568996373.db2.gz QFZOYEAIMSKALX-ZMOGYAJESA-N 0 0 424.492 5.574 50 30 HKEARN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000008384706 557784939 /nfs/dbraw/zinc/78/49/39/557784939.db2.gz FQVVIGSVXYRINB-XIEYBQDHSA-N 0 0 407.583 6.914 50 30 HKEARN CCCCCCCCCCCCCCc1ccc2[nH]c3c(c2c1)-c1ccccc1CC3 ZINC000008384709 557784987 /nfs/dbraw/zinc/78/49/87/557784987.db2.gz LJTYGSDSCYZVAE-UHFFFAOYSA-N 0 0 415.665 9.177 50 30 HKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC ZINC000008384730 520641924 /nfs/dbraw/zinc/64/19/24/520641924.db2.gz XZILYBWAJVIKAG-LSHDLFTRSA-N 0 0 422.337 5.970 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000008384898 557785117 /nfs/dbraw/zinc/78/51/17/557785117.db2.gz SCEIGZQADZCQNZ-KGENOOAVSA-N 0 0 420.921 5.811 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)n1c2ccccc2nc1SCC ZINC000008385786 519990876 /nfs/dbraw/zinc/99/08/76/519990876.db2.gz ZBPAKWYPHFYXCP-UHFFFAOYSA-N 0 0 416.675 8.270 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2[nH]c1=S ZINC000008385788 557785119 /nfs/dbraw/zinc/78/51/19/557785119.db2.gz HUSNMIXTZKTXJU-UHFFFAOYSA-N 0 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Fc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000008432360 557788401 /nfs/dbraw/zinc/78/84/01/557788401.db2.gz NFCPPWSRHZPSNU-ZMOGYAJESA-N 0 0 421.273 5.644 50 30 HKEARN C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000008432402 518639949 /nfs/dbraw/zinc/63/99/49/518639949.db2.gz VBDGSQVNYCWEGE-OAHLLOKOSA-N 0 0 424.591 5.134 50 30 HKEARN C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000008432404 568978878 /nfs/dbraw/zinc/97/88/78/568978878.db2.gz VBDGSQVNYCWEGE-HNNXBMFYSA-N 0 0 424.591 5.134 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(N)=O ZINC000008432419 557788470 /nfs/dbraw/zinc/78/84/70/557788470.db2.gz UFDIDXHVOXZIPG-UHFFFAOYSA-N 0 0 410.580 5.192 50 30 HKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1CO ZINC000008432813 557788624 /nfs/dbraw/zinc/78/86/24/557788624.db2.gz FZDZXGOGQVVBDD-UHFFFAOYSA-N 0 0 400.651 7.790 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008434755 557788672 /nfs/dbraw/zinc/78/86/72/557788672.db2.gz 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Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 ZINC000008439119 557789339 /nfs/dbraw/zinc/78/93/39/557789339.db2.gz XYUULYDQMQOPQB-DARPEHSRSA-N 0 0 419.527 5.046 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)cc1OC ZINC000008440366 569061257 /nfs/dbraw/zinc/06/12/57/569061257.db2.gz HYLOECVSWXEVBF-UKTHLTGXSA-N 0 0 422.864 5.473 50 30 HKEARN CCCCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000008440674 557789597 /nfs/dbraw/zinc/78/95/97/557789597.db2.gz SLAKPYLIYJYFKL-UHFFFAOYSA-N 0 0 411.564 5.489 50 30 HKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2C#N)cc1 ZINC000008441187 569389724 /nfs/dbraw/zinc/38/97/24/569389724.db2.gz CTRYZUMYQSPTEJ-UHFFFAOYSA-N 0 0 420.537 6.571 50 30 HKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCc3ccccc3)c2C#N)cc1 ZINC000008441325 569389725 /nfs/dbraw/zinc/38/97/25/569389725.db2.gz COPKOFRINKDUSD-UHFFFAOYSA-N 0 0 422.553 6.897 50 30 HKEARN Cc1ccc2[nH]c(CSc3nc(-c4ccco4)cc(C(F)(F)F)c3C#N)nc2c1 ZINC000008442100 569003220 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Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc12 ZINC000008446241 569389721 /nfs/dbraw/zinc/38/97/21/569389721.db2.gz QMTGLDLUIRIUFS-UHFFFAOYSA-N 0 0 423.541 6.121 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000008448574 526430604 /nfs/dbraw/zinc/43/06/04/526430604.db2.gz NHRVXFXRRONMJZ-SDHSZQHLSA-N 0 0 419.459 5.110 50 30 HKEARN C(/C=C\c1ccc2c(c1)OCO2)=N\c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000008448789 557790466 /nfs/dbraw/zinc/79/04/66/557790466.db2.gz CDRVNFMUYQNZHE-SPKXURJASA-N 0 0 418.452 6.792 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000008448967 557790547 /nfs/dbraw/zinc/79/05/47/557790547.db2.gz GPSABZLBWRGMMM-UHFFFAOYSA-N 0 0 413.558 5.913 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000008449913 557790788 /nfs/dbraw/zinc/79/07/88/557790788.db2.gz KIZSJMVAEJMGMB-UHFFFAOYSA-N 0 0 400.588 6.860 50 30 HKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000008449940 557790754 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50 30 HKEARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2ccc3ccccc3c2)c1C#N ZINC000008531751 571074821 /nfs/dbraw/zinc/07/48/21/571074821.db2.gz BPYUVIBMCDNEPR-HXUWFJFHSA-N 0 0 419.550 5.040 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1Cl ZINC000008544633 557794321 /nfs/dbraw/zinc/79/43/21/557794321.db2.gz FLNHXIZNFPNIRI-FPOVZHCZSA-N 0 0 424.327 6.036 50 30 HKEARN C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)c2ccccc2)c1=S ZINC000008548488 519183512 /nfs/dbraw/zinc/18/35/12/519183512.db2.gz PJZFMMGTEBSBOG-UHFFFAOYSA-N 0 0 412.946 5.057 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@H]12 ZINC000008552023 568980121 /nfs/dbraw/zinc/98/01/21/568980121.db2.gz FCKJYANJHNLEEP-YSJYFECISA-N 0 0 416.646 5.705 50 30 endogenous,in-man HKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000008559377 557794916 /nfs/dbraw/zinc/79/49/16/557794916.db2.gz XUWCCDGVUORDSB-HSZRJFAPSA-N 0 0 419.912 5.543 50 30 HKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000008559380 557794949 /nfs/dbraw/zinc/79/49/49/557794949.db2.gz XUWCCDGVUORDSB-QHCPKHFHSA-N 0 0 419.912 5.543 50 30 HKEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000008559381 557794951 /nfs/dbraw/zinc/79/49/51/557794951.db2.gz NVCYMBVCZRSATC-XMMPIXPASA-N 0 0 417.940 6.096 50 30 HKEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000008559382 557794964 /nfs/dbraw/zinc/79/49/64/557794964.db2.gz NVCYMBVCZRSATC-DEOSSOPVSA-N 0 0 417.940 6.096 50 30 HKEARN N#Cc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br ZINC000008566700 569389841 /nfs/dbraw/zinc/38/98/41/569389841.db2.gz RIDOUNFCWNFHFH-UHFFFAOYSA-N 0 0 407.267 5.005 50 30 HKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC(C)C)cc1 ZINC000008570358 571082314 /nfs/dbraw/zinc/08/23/14/571082314.db2.gz LMTKDUDELFCUND-UHFFFAOYSA-N 0 0 411.889 5.006 50 30 HKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2Cl)cc(-c2ccccc2)c1C#N ZINC000008590668 571085427 /nfs/dbraw/zinc/08/54/27/571085427.db2.gz KZCYXUCZZKKKIK-OAHLLOKOSA-N 0 0 422.937 5.984 50 30 HKEARN CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2Cl)cc(-c2ccccc2)c1C#N ZINC000008590670 521219419 /nfs/dbraw/zinc/21/94/19/521219419.db2.gz KZCYXUCZZKKKIK-HNNXBMFYSA-N 0 0 422.937 5.984 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccc(F)cc4)on3)sc2C1 ZINC000008592908 569389882 /nfs/dbraw/zinc/38/98/82/569389882.db2.gz SSARRILCVBOTDN-CQSZACIVSA-N 0 0 423.513 5.817 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccc(F)cc4)on3)sc2C1 ZINC000008592909 569389870 /nfs/dbraw/zinc/38/98/70/569389870.db2.gz SSARRILCVBOTDN-AWEZNQCLSA-N 0 0 423.513 5.817 50 30 HKEARN CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 ZINC000008614939 571095799 /nfs/dbraw/zinc/09/57/99/571095799.db2.gz ZIVXTYCVUKJRNS-UHFFFAOYSA-N 0 0 415.449 5.836 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1 ZINC000008614950 571095721 /nfs/dbraw/zinc/09/57/21/571095721.db2.gz JFIHOZLHYUTFKU-UHFFFAOYSA-N 0 0 417.421 5.146 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 ZINC000008614959 571095651 /nfs/dbraw/zinc/09/56/51/571095651.db2.gz QXKYXPPWLHOINT-UHFFFAOYSA-N 0 0 401.422 5.446 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 ZINC000008614963 571095783 /nfs/dbraw/zinc/09/57/83/571095783.db2.gz PXTDXLXAKORCAT-UHFFFAOYSA-N 0 0 401.422 5.446 50 30 aggregator HKEARN CCOc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 ZINC000008614964 571095746 /nfs/dbraw/zinc/09/57/46/571095746.db2.gz ZURRRSALWLIBEB-UHFFFAOYSA-N 0 0 415.449 5.836 50 30 aggregator HKEARN CSC(=NC(=O)c1c(Cl)cccc1Cl)NNc1ccccc1C(F)(F)F ZINC000008618038 557797138 /nfs/dbraw/zinc/79/71/38/557797138.db2.gz SNVUBWQBEFGQJJ-UHFFFAOYSA-N 0 0 422.259 5.488 50 30 HKEARN O=C1c2ccccc2C/C1=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000008618050 557797107 /nfs/dbraw/zinc/79/71/07/557797107.db2.gz PKNKTVXERHHSBW-GXDHUFHOSA-N 0 0 422.324 6.807 50 30 HKEARN CCC1C/C(=C\c2ccc(NC(C)=O)cc2)C(=O)/C(=C\c2ccc(NC(C)=O)cc2)C1 ZINC000008624929 571096863 /nfs/dbraw/zinc/09/68/63/571096863.db2.gz RVXPMLMYDJUHRK-XRBXDRSNSA-N 0 0 416.521 5.460 50 30 HKEARN CCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N ZINC000008625343 571096837 /nfs/dbraw/zinc/09/68/37/571096837.db2.gz HIXHHTMKYDYVSC-UHFFFAOYSA-N 0 0 402.563 6.968 50 30 HKEARN C/C(COc1ccc(Cl)cc1Cl)=N\OC(=O)c1c(C)onc1-c1ccccc1 ZINC000008626514 518476743 /nfs/dbraw/zinc/47/67/43/518476743.db2.gz PBCHHKGDVVJFSI-FSJBWODESA-N 0 0 419.264 5.569 50 30 HKEARN CC(=NNC(=N)SCc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000008626644 557797550 /nfs/dbraw/zinc/79/75/50/557797550.db2.gz UHEHYBRDVZTNJC-LSFURLLWSA-N 0 0 421.180 6.272 50 30 HKEARN Fc1cccc(Cl)c1CN(/N=C/c1cc(Br)cs1)c1ccccc1 ZINC000008626692 557797545 /nfs/dbraw/zinc/79/75/45/557797545.db2.gz JWVPFUSRQAZQNZ-LSHDLFTRSA-N 0 0 423.738 6.344 50 30 HKEARN Cc1ccc(C(=O)C=C(CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000008626817 526012677 /nfs/dbraw/zinc/01/26/77/526012677.db2.gz XGPCRWPAWJXDGA-QNGOZBTKSA-N 0 0 419.318 6.297 50 30 HKEARN C=CCn1c(=S)sc2c1ncnc2Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000008637003 568982220 /nfs/dbraw/zinc/98/22/20/568982220.db2.gz PPEFKJIXEFORTN-UHFFFAOYSA-N 0 0 419.944 5.263 50 30 HKEARN N=C(NOC(=O)Nc1ccc(Cl)cc1)c1cccc(CSc2cccs2)c1 ZINC000008637183 557798020 /nfs/dbraw/zinc/79/80/20/557798020.db2.gz QQWGCVIJPCVEGW-UHFFFAOYSA-N 0 0 417.943 5.563 50 30 HKEARN C/C(=N\n1cc(-c2ccccc2)nc1/N=C/c1cc(Cl)ccc1O)c1ccccc1 ZINC000008643202 571097765 /nfs/dbraw/zinc/09/77/65/571097765.db2.gz GVLMZELKBXLXBH-UJXSPMJHSA-N 0 0 414.896 5.932 50 30 HKEARN Cc1c(/N=C/N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000008647954 557798205 /nfs/dbraw/zinc/79/82/05/557798205.db2.gz QOKWZSXRHCZBFT-OEAKJJBVSA-N 0 0 418.409 5.127 50 30 HKEARN COc1cc(C(F)(F)F)nc2ccc(C#CCOC(=O)c3ccccc3Cl)cc21 ZINC000008648517 568982246 /nfs/dbraw/zinc/98/22/46/568982246.db2.gz SXIJBTFBPQCOSD-UHFFFAOYSA-N 0 0 419.786 5.124 50 30 HKEARN O=C(Nc1csc(Cc2ccsc2)n1)O/N=C/c1c(Cl)cccc1Cl ZINC000008648604 557798426 /nfs/dbraw/zinc/79/84/26/557798426.db2.gz KZPMVHZAYGQORU-FBCYGCLPSA-N 0 0 412.323 5.685 50 30 HKEARN CO/N=C(\C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccco1 ZINC000008648624 557798435 /nfs/dbraw/zinc/79/84/35/557798435.db2.gz YHNPDGMKCFKVQX-ODLFYWEKSA-N 0 0 417.459 5.503 50 30 HKEARN N#C/N=C(/S/C=C/C(=O)c1cccc(Br)c1)SCc1ccccc1 ZINC000008648639 557798406 /nfs/dbraw/zinc/79/84/06/557798406.db2.gz QGCHYZCKOINYFZ-XRGXWCBOSA-N 0 0 417.353 5.649 50 30 HKEARN Cc1cc(C)c(C#N)c(S[C@@H](C(=O)Nc2c(C)cccc2Cl)c2ccccc2)n1 ZINC000008648804 569390002 /nfs/dbraw/zinc/39/00/02/569390002.db2.gz SAWISICLZSHYFP-OAQYLSRUSA-N 0 0 421.953 6.004 50 30 HKEARN Cc1cc(C)c(C#N)c(S[C@H](C(=O)Nc2c(C)cccc2Cl)c2ccccc2)n1 ZINC000008648805 569390005 /nfs/dbraw/zinc/39/00/05/569390005.db2.gz SAWISICLZSHYFP-NRFANRHFSA-N 0 0 421.953 6.004 50 30 HKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C=NOC(=O)Nc1cccc(Cl)c1 ZINC000008648858 557798411 /nfs/dbraw/zinc/79/84/11/557798411.db2.gz PDXFAGALUNVAGU-LSFURLLWSA-N 0 0 424.671 6.193 50 30 HKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1c(Cl)cccc1Cl ZINC000008648861 557798423 /nfs/dbraw/zinc/79/84/23/557798423.db2.gz USIQGNDYILVSNW-GZIVZEMBSA-N 0 0 415.107 6.710 50 30 HKEARN COc1cc(C(F)(F)F)nc2ccc(C#CCOC(=O)c3ccc(Cl)cc3)cc21 ZINC000008648865 522179854 /nfs/dbraw/zinc/17/98/54/522179854.db2.gz HDJAMCFPBOWHOM-UHFFFAOYSA-N 0 0 419.786 5.124 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1 ZINC000008654594 571098462 /nfs/dbraw/zinc/09/84/62/571098462.db2.gz FYJXZMDETZKTGL-UHFFFAOYSA-N 0 0 419.868 5.959 50 30 HKEARN Cc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 ZINC000008654617 571098473 /nfs/dbraw/zinc/09/84/73/571098473.db2.gz HEDYXFZNEMSJCL-UHFFFAOYSA-N 0 0 419.868 5.959 50 30 aggregator HKEARN C[C@H](Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N)c1ccccc1 ZINC000008654622 571098444 /nfs/dbraw/zinc/09/84/44/571098444.db2.gz RFGNFOXFNRWPIH-HNNXBMFYSA-N 0 0 419.868 6.212 50 30 HKEARN C[C@@H](Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N)c1ccccc1 ZINC000008654623 571098523 /nfs/dbraw/zinc/09/85/23/571098523.db2.gz RFGNFOXFNRWPIH-OAHLLOKOSA-N 0 0 419.868 6.212 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1 ZINC000008654648 571098540 /nfs/dbraw/zinc/09/85/40/571098540.db2.gz HILHMWUBDYJTIQ-UHFFFAOYSA-N 0 0 401.422 5.006 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1 ZINC000008654649 571098449 /nfs/dbraw/zinc/09/84/49/571098449.db2.gz JCIBHPGVPZOZEH-UHFFFAOYSA-N 0 0 419.412 5.145 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)cc1 ZINC000008654678 571098870 /nfs/dbraw/zinc/09/88/70/571098870.db2.gz CFSCEJGEQFNMTH-INIZCTEOSA-N 0 0 415.449 5.567 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1 ZINC000008654679 571098901 /nfs/dbraw/zinc/09/89/01/571098901.db2.gz CFSCEJGEQFNMTH-MRXNPFEDSA-N 0 0 415.449 5.567 50 30 HKEARN COc1ccc(CNc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 ZINC000008654804 569389963 /nfs/dbraw/zinc/38/99/63/569389963.db2.gz DTBAXTFELVMNHS-UHFFFAOYSA-N 0 0 415.449 5.314 50 30 HKEARN CCOP(=O)(N=C(N[C@H](C)c1ccccc1)N[C@H](C)c1ccccc1)OCC ZINC000008656238 571098874 /nfs/dbraw/zinc/09/88/74/571098874.db2.gz RWGSNFKLDMHYDQ-QZTJIDSGSA-N 0 0 403.463 5.225 50 30 HKEARN COc1cccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1OC ZINC000008657354 571099149 /nfs/dbraw/zinc/09/91/49/571099149.db2.gz IFLFDEDKSGHURG-FQEVSTJZSA-N 0 0 415.489 5.482 50 30 HKEARN COc1ccc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2C2CCCCC2)cc1 ZINC000008664811 571099839 /nfs/dbraw/zinc/09/98/39/571099839.db2.gz JSHYBQMTTZEUIT-VLYZUMCXSA-N 0 0 410.514 5.771 50 30 HKEARN N#C[C@H](c1cccc(Cl)c1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000008665032 571099988 /nfs/dbraw/zinc/09/99/88/571099988.db2.gz QPWWAOMXYPIDOY-GFCCVEGCSA-N 0 0 415.724 5.976 50 30 HKEARN N#C[C@@H](c1cccc(Cl)c1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000008665033 571100003 /nfs/dbraw/zinc/10/00/03/571100003.db2.gz QPWWAOMXYPIDOY-LBPRGKRZSA-N 0 0 415.724 5.976 50 30 HKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000008670526 571100461 /nfs/dbraw/zinc/10/04/61/571100461.db2.gz MEUVBYOWCXHDLY-GFCCVEGCSA-N 0 0 415.724 5.976 50 30 HKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000008670527 571100476 /nfs/dbraw/zinc/10/04/76/571100476.db2.gz MEUVBYOWCXHDLY-LBPRGKRZSA-N 0 0 415.724 5.976 50 30 HKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3cccc(Cl)c3)nc2n1 ZINC000008673001 571100656 /nfs/dbraw/zinc/10/06/56/571100656.db2.gz ODUHCVCXHRTYKP-ZNLRHDTNSA-N 0 0 418.728 5.767 50 30 HKEARN O=C(O/N=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000008673015 571100734 /nfs/dbraw/zinc/10/07/34/571100734.db2.gz MLQFPSXUTRRBMB-UUYOSTAYSA-N 0 0 422.268 5.083 50 30 HKEARN Brc1ccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)cc1 ZINC000008676846 560638028 /nfs/dbraw/zinc/63/80/28/560638028.db2.gz DBUQZVHPKVUDQN-WSDLNYQXSA-N 0 0 420.270 5.007 50 30 HKEARN COc1cc2c(cc1NC(=S)Nc1cccc(C(F)(F)F)c1)oc1ccccc12 ZINC000008681162 571101025 /nfs/dbraw/zinc/10/10/25/571101025.db2.gz JLTIGXCDZJXQTH-UHFFFAOYSA-N 0 0 416.424 6.643 50 30 HKEARN CCCCc1ccc(NC(=S)Nc2ccc(Nc3ccc(OC)cc3)cc2)cc1 ZINC000008682778 557799858 /nfs/dbraw/zinc/79/98/58/557799858.db2.gz OKDPVMNHIIWOCD-UHFFFAOYSA-N 0 0 405.567 6.811 50 30 HKEARN CCOCCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000008684495 571101627 /nfs/dbraw/zinc/10/16/27/571101627.db2.gz OTLQDNRRFUIIGY-SQFISAMPSA-N 0 0 424.616 6.359 50 30 HKEARN CCCCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000008686285 557800240 /nfs/dbraw/zinc/80/02/40/557800240.db2.gz MHCYRRKTMDEKHO-ZCYQVOJMSA-N 0 0 411.545 6.071 50 30 HKEARN COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000008690075 557800394 /nfs/dbraw/zinc/80/03/94/557800394.db2.gz OEYAOPPYJXHIJG-UHFFFAOYSA-N 0 0 406.551 5.624 50 30 HKEARN CCCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000008690261 521287900 /nfs/dbraw/zinc/28/79/00/521287900.db2.gz MHCYRRKTMDEKHO-NOZRDPDXSA-N 0 0 411.545 6.071 50 30 HKEARN COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1ccc(F)cc1 ZINC000008691610 557800472 /nfs/dbraw/zinc/80/04/72/557800472.db2.gz VIXRIQGAPAYDRJ-ZVHZXABRSA-N 0 0 409.486 5.145 50 30 HKEARN COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1ccccc1F ZINC000008691612 557800339 /nfs/dbraw/zinc/80/03/39/557800339.db2.gz TYNVWGPDNYELLQ-ZVHZXABRSA-N 0 0 409.486 5.145 50 30 HKEARN COc1ccc(-c2cs/c(=N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000008694206 571102309 /nfs/dbraw/zinc/10/23/09/571102309.db2.gz OQZSLFUHBKNAJL-PZGDPEPUSA-N 0 0 419.937 5.803 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000008695570 571102595 /nfs/dbraw/zinc/10/25/95/571102595.db2.gz VOSKIXOMVVSEKZ-VBKFSLOCSA-N 0 0 419.424 5.249 50 30 HKEARN N#CC1=C(c2ccccc2)C(=NNc2ccc(Cl)cc2)C(=O)n2c3ccccc3nc21 ZINC000008706556 569390123 /nfs/dbraw/zinc/39/01/23/569390123.db2.gz OTGJXKPPFCUYFH-ZQHSETAFSA-N 0 0 423.863 6.801 50 30 HKEARN CCOc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(-c2ccccc2)c1C#N ZINC000008706705 569390093 /nfs/dbraw/zinc/39/00/93/569390093.db2.gz YNCORBCMDOMINS-UHFFFAOYSA-N 0 0 414.490 5.068 50 30 HKEARN N#Cc1c(OCC(=O)c2ccc(Cl)cc2)nc(-c2ccco2)cc1-c1cccs1 ZINC000008706991 569390155 /nfs/dbraw/zinc/39/01/55/569390155.db2.gz QZECHBPTDABFCW-UHFFFAOYSA-N 0 0 420.877 5.857 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000008715768 557801306 /nfs/dbraw/zinc/80/13/06/557801306.db2.gz PSRRLRISYKWDRS-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000008715769 557801605 /nfs/dbraw/zinc/80/16/05/557801605.db2.gz PSRRLRISYKWDRS-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000008715770 557801544 /nfs/dbraw/zinc/80/15/44/557801544.db2.gz VPYYDXBSZUXNCV-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000008715771 557801640 /nfs/dbraw/zinc/80/16/40/557801640.db2.gz VPYYDXBSZUXNCV-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1 ZINC000008721709 571107252 /nfs/dbraw/zinc/10/72/52/571107252.db2.gz YJPOZXUSBPQLTH-CSKARUKUSA-N 0 0 421.212 6.624 50 30 HKEARN CCOCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000008722453 557802132 /nfs/dbraw/zinc/80/21/32/557802132.db2.gz AJCFBLZSTKBFGP-INNVFMJMSA-N 0 0 421.349 5.634 50 30 HKEARN C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1C1CCCCC1 ZINC000008724900 571107685 /nfs/dbraw/zinc/10/76/85/571107685.db2.gz LMSYFDWGGSZAES-UHFFFAOYSA-N 0 0 410.543 5.468 50 30 HKEARN Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C)c(C)c(C)c2C#N)cs1 ZINC000008726818 571108540 /nfs/dbraw/zinc/10/85/40/571108540.db2.gz CAMSBMPMVGAWPE-UHFFFAOYSA-N 0 0 422.579 5.117 50 30 HKEARN Cc1nc(-c2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)cs1 ZINC000008728480 571108838 /nfs/dbraw/zinc/10/88/38/571108838.db2.gz JODNNJLVRLWYCW-UHFFFAOYSA-N 0 0 408.552 5.041 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000008733527 571109052 /nfs/dbraw/zinc/10/90/52/571109052.db2.gz WULHHXJYFRZLKP-UHFFFAOYSA-N 0 0 424.114 6.049 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000008733529 571109082 /nfs/dbraw/zinc/10/90/82/571109082.db2.gz IQUUUCBGPSQNMF-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(Cl)cc1Cl ZINC000008733530 571109059 /nfs/dbraw/zinc/10/90/59/571109059.db2.gz NPHGYPPVFVWOTJ-UHFFFAOYSA-N 0 0 410.087 7.026 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(Cl)c(Cl)c1 ZINC000008733531 571109111 /nfs/dbraw/zinc/10/91/11/571109111.db2.gz ZSTKFCKCHRLEAV-UHFFFAOYSA-N 0 0 410.087 7.026 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cccc(Cl)c1Cl ZINC000008733532 571109085 /nfs/dbraw/zinc/10/90/85/571109085.db2.gz MBHHGFYSQJLNFX-UHFFFAOYSA-N 0 0 410.087 7.026 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cc(Cl)cc(Cl)c1 ZINC000008733533 571109071 /nfs/dbraw/zinc/10/90/71/571109071.db2.gz YAXDDMXHDPHKKS-UHFFFAOYSA-N 0 0 410.087 7.026 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000008733534 571109041 /nfs/dbraw/zinc/10/90/41/571109041.db2.gz UGXWJCJYTYHYCG-UHFFFAOYSA-N 0 0 422.328 5.473 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000008733536 571109002 /nfs/dbraw/zinc/10/90/02/571109002.db2.gz JIUPYXMMZVQDPZ-UHFFFAOYSA-N 0 0 424.369 6.809 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1cc(Cl)cc(Cl)c1 ZINC000008733537 571109045 /nfs/dbraw/zinc/10/90/45/571109045.db2.gz LYVWHVLYDSPHFK-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)c(Cl)c1 ZINC000008733538 571109122 /nfs/dbraw/zinc/10/91/22/571109122.db2.gz LNSIQGGIIWBJIQ-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2cccs2)[C@@H]3c2ccccc2)cc1 ZINC000008733570 524994595 /nfs/dbraw/zinc/99/45/95/524994595.db2.gz YXCOMKFCEGHIGD-IVNHJSRESA-N 0 0 424.521 6.961 50 30 HKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2cccs2)[C@H]3c2ccccc2)cc1 ZINC000008733571 571109074 /nfs/dbraw/zinc/10/90/74/571109074.db2.gz YXCOMKFCEGHIGD-PBMMVTTKSA-N 0 0 424.521 6.961 50 30 HKEARN Cc1ccc(C(=O)/C(=C\c2cccc(Br)c2)c2nc3ccccc3o2)cc1 ZINC000008735683 571109883 /nfs/dbraw/zinc/10/98/83/571109883.db2.gz UHXYARNNORERIK-XMHGGMMESA-N 0 0 418.290 6.322 50 30 HKEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000008735944 571110026 /nfs/dbraw/zinc/11/00/26/571110026.db2.gz RZNHMRIHOMSCKF-UHFFFAOYSA-N 0 0 416.502 5.264 50 30 HKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Br)cc1 ZINC000008738804 568983461 /nfs/dbraw/zinc/98/34/61/568983461.db2.gz OWFYSPZOEPOULH-UHFFFAOYSA-N 0 0 417.310 5.902 50 30 HKEARN C=CCS[C@@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 ZINC000008738977 568983623 /nfs/dbraw/zinc/98/36/23/568983623.db2.gz DDROSLFGVQSSRC-RUZDIDTESA-N 0 0 416.590 5.349 50 30 HKEARN C=CCS[C@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 ZINC000008738978 568983480 /nfs/dbraw/zinc/98/34/80/568983480.db2.gz DDROSLFGVQSSRC-VWLOTQADSA-N 0 0 416.590 5.349 50 30 HKEARN C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000008740787 568983537 /nfs/dbraw/zinc/98/35/37/568983537.db2.gz ZLMTXGFCHVKPIE-UHFFFAOYSA-N 0 0 408.807 6.076 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008740889 557803746 /nfs/dbraw/zinc/80/37/46/557803746.db2.gz IUAVOELSAKUTQH-QHCPKHFHSA-N 0 0 412.489 5.296 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008740890 557803605 /nfs/dbraw/zinc/80/36/05/557803605.db2.gz IUAVOELSAKUTQH-HSZRJFAPSA-N 0 0 412.489 5.296 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 ZINC000008741311 557803882 /nfs/dbraw/zinc/80/38/82/557803882.db2.gz RMKGGHOFLCBAIN-AWQFTUOYSA-N 0 0 421.638 5.112 50 30 HKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008742268 571110694 /nfs/dbraw/zinc/11/06/94/571110694.db2.gz WHKRYIPAYUKVLW-UHFFFAOYSA-N 0 0 420.346 5.719 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008743337 571111094 /nfs/dbraw/zinc/11/10/94/571111094.db2.gz MIBOZNPETYAVEC-OAQYLSRUSA-N 0 0 420.440 5.028 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008743338 571111108 /nfs/dbraw/zinc/11/11/08/571111108.db2.gz MIBOZNPETYAVEC-NRFANRHFSA-N 0 0 420.440 5.028 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008743529 571110837 /nfs/dbraw/zinc/11/08/37/571110837.db2.gz PJTGDTQTLNEZBM-QFIPXVFZSA-N 0 0 416.477 5.198 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008743530 571110822 /nfs/dbraw/zinc/11/08/22/571110822.db2.gz PJTGDTQTLNEZBM-JOCHJYFZSA-N 0 0 416.477 5.198 50 30 HKEARN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1cccs1 ZINC000008743724 557804367 /nfs/dbraw/zinc/80/43/67/557804367.db2.gz QGQRDUJQKVNHLI-UFWORHAWSA-N 0 0 411.339 5.583 50 30 HKEARN COc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 ZINC000008747236 571111252 /nfs/dbraw/zinc/11/12/52/571111252.db2.gz KTTQGTGXEFEDQD-UHFFFAOYSA-N 0 0 424.551 5.012 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)sc1Nc1cccc(F)c1 ZINC000008747810 569390120 /nfs/dbraw/zinc/39/01/20/569390120.db2.gz KHEJJAZEIRGHEZ-UHFFFAOYSA-N 0 0 416.275 5.078 50 30 HKEARN N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)sc1Nc1ccccc1F ZINC000008747812 569390134 /nfs/dbraw/zinc/39/01/34/569390134.db2.gz GOHQOKQALYHBNH-UHFFFAOYSA-N 0 0 416.275 5.078 50 30 HKEARN Cc1nc(SCc2cc(-c3ccco3)on2)c(C#N)cc1C(=O)Nc1ccccc1 ZINC000008749688 571111773 /nfs/dbraw/zinc/11/17/73/571111773.db2.gz CBBGXXBXZXFKPD-UHFFFAOYSA-N 0 0 416.462 5.054 50 30 HKEARN COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)SC(=Cc2ccc(F)cc2)C1=O ZINC000008750233 522894978 /nfs/dbraw/zinc/89/49/78/522894978.db2.gz HYTHLYAUYFWEFQ-NVNXTCNLSA-N 0 0 424.280 5.286 50 30 HKEARN Cc1ccc(C(=O)CC(N=Nc2nc(-c3cccc(O)c3)cs2)C(F)(F)F)cc1 ZINC000008750633 571112218 /nfs/dbraw/zinc/11/22/18/571112218.db2.gz JZVUMVAYEZMKPV-BWAHOGKJSA-N 0 0 419.428 5.427 50 30 HKEARN COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000008757119 571113639 /nfs/dbraw/zinc/11/36/39/571113639.db2.gz LUIHNIIPMWMARL-UHFFFAOYSA-N 0 0 424.909 5.389 50 30 HKEARN Cc1c2ccccc2nc(Cl)c1C(=O)/C=C/c1c(Cl)n(C)nc1C(F)(F)F ZINC000008762029 571114007 /nfs/dbraw/zinc/11/40/07/571114007.db2.gz WDMARQNDPCQHBO-BQYQJAHWSA-N 0 0 414.214 5.498 50 30 HKEARN O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)nc1)c1ccc(C(F)(F)F)cc1F ZINC000008762108 571114031 /nfs/dbraw/zinc/11/40/31/571114031.db2.gz YGGUQXMICWCOSL-UHFFFAOYSA-N 0 0 413.292 6.156 50 30 HKEARN O=C1C(=NNc2c(Cl)cc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 ZINC000008762222 571114042 /nfs/dbraw/zinc/11/40/42/571114042.db2.gz RTKSTDFHIIUDFR-MOHJPFBDSA-N 0 0 416.695 6.141 50 30 HKEARN CSc1nc(Sc2cccc(Cl)c2Cl)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000008762230 571114002 /nfs/dbraw/zinc/11/40/02/571114002.db2.gz WRKQAPWUYCKQAR-UHFFFAOYSA-N 0 0 418.374 6.504 50 30 HKEARN CC(=NOC(=O)Nc1ccc(Cl)cc1Cl)c1sc(-c2ccccc2)nc1C ZINC000008762412 571114314 /nfs/dbraw/zinc/11/43/14/571114314.db2.gz IOIZDYKIIFJCLU-WYMPLXKRSA-N 0 0 420.321 6.398 50 30 HKEARN Cc1ccc(CSc2nc(NCc3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1 ZINC000008762874 524647511 /nfs/dbraw/zinc/64/75/11/524647511.db2.gz LQGWDVKEEAWXFK-UHFFFAOYSA-N 0 0 422.557 6.228 50 30 HKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCc1cccc(C(F)(F)F)c1)CCCC2 ZINC000008763236 571114384 /nfs/dbraw/zinc/11/43/84/571114384.db2.gz CQXIUYAMKBJBDU-UHFFFAOYSA-N 0 0 424.491 6.810 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(NC(=O)c2ccco2)c1 ZINC000008763517 557805865 /nfs/dbraw/zinc/80/58/65/557805865.db2.gz IXUNBNCMVGEFOY-ZRDIBKRKSA-N 0 0 417.848 6.341 50 30 HKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccco2)cc1 ZINC000008763519 571114680 /nfs/dbraw/zinc/11/46/80/571114680.db2.gz PWTPXQGSFPCTCO-ZRDIBKRKSA-N 0 0 417.848 6.341 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC ZINC000008764053 571114739 /nfs/dbraw/zinc/11/47/39/571114739.db2.gz ULTHVYDTNHTKQC-FOKLQQMPSA-N 0 0 422.337 5.970 50 30 HKEARN N#Cc1ccc(/C=C2\S[C@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 ZINC000008764073 526585811 /nfs/dbraw/zinc/58/58/11/526585811.db2.gz ZFYNVSMOTSRFCM-QDNAUZDWSA-N 0 0 408.482 5.183 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1OC ZINC000008765003 571115296 /nfs/dbraw/zinc/11/52/96/571115296.db2.gz PAAAYAWBBNGPCZ-VSCIQPPNSA-N 0 0 414.457 5.412 50 30 biogenic HKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCC=C(C)C)c3C)C1=O)cn2C ZINC000008765104 560638450 /nfs/dbraw/zinc/63/84/50/560638450.db2.gz NFHHSNQYHXVOLG-FSJBWODESA-N 0 0 403.478 5.457 50 30 biogenic HKEARN CCn1cc(/C=C2/Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2cc(OC)ccc21 ZINC000008765162 560638464 /nfs/dbraw/zinc/63/84/64/560638464.db2.gz WYTMOXFNGAVDGR-ZMOGYAJESA-N 0 0 417.505 5.939 50 30 biogenic HKEARN C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000008765462 560638489 /nfs/dbraw/zinc/63/84/89/560638489.db2.gz SREFBILUHULBKQ-FOKLQQMPSA-N 0 0 403.478 5.549 50 30 biogenic HKEARN CCn1cc(/C=C2/Oc3cc(OCC=C(C)C)ccc3C2=O)c2cc(OC)ccc21 ZINC000008765521 571115674 /nfs/dbraw/zinc/11/56/74/571115674.db2.gz LJZLUPXODPGMAT-WYMPLXKRSA-N 0 0 403.478 5.631 50 30 biogenic HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008770992 557806735 /nfs/dbraw/zinc/80/67/35/557806735.db2.gz GAWSUVXJIYKUIH-LJQANCHMSA-N 0 0 422.506 5.125 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008770995 557806793 /nfs/dbraw/zinc/80/67/93/557806793.db2.gz GAWSUVXJIYKUIH-IBGZPJMESA-N 0 0 422.506 5.125 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000008780938 571118862 /nfs/dbraw/zinc/11/88/62/571118862.db2.gz UIPBDPSZHHSJPB-SDHSZQHLSA-N 0 0 419.459 5.110 50 30 HKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c(C)c1 ZINC000008780994 525968498 /nfs/dbraw/zinc/96/84/98/525968498.db2.gz OEAHYYPGCDKKHU-UDWIEESQSA-N 0 0 419.462 5.363 50 30 HKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(C)c1 ZINC000008780996 571118893 /nfs/dbraw/zinc/11/88/93/571118893.db2.gz HDTKCDXDKGMMLN-UDWIEESQSA-N 0 0 419.462 5.363 50 30 HKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(C)c1 ZINC000008780997 571118870 /nfs/dbraw/zinc/11/88/70/571118870.db2.gz BZSGEMHKYMWJAK-UDWIEESQSA-N 0 0 419.462 5.363 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008780999 527043645 /nfs/dbraw/zinc/04/36/45/527043645.db2.gz KSARYMQPOVDXMP-WOJGMQOQSA-N 0 0 415.301 6.145 50 30 HKEARN CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n2nc(-c3ccccc3)cc2n1 ZINC000008781080 557808381 /nfs/dbraw/zinc/80/83/81/557808381.db2.gz RNWIQELODLHLDL-UHFFFAOYSA-N 0 0 419.344 5.983 50 30 HKEARN CO/N=C(/COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000008781519 522736018 /nfs/dbraw/zinc/73/60/18/522736018.db2.gz POPOEIUWYGVCBY-STZFKDTASA-N 0 0 413.515 6.383 50 30 HKEARN CC(=NOC(=O)Nc1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000008781560 571118871 /nfs/dbraw/zinc/11/88/71/571118871.db2.gz SAKLQNPZWBUYGG-WYMPLXKRSA-N 0 0 420.321 6.398 50 30 HKEARN CC(=NOC(=O)Nc1cccc(Cl)c1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000008781561 518470966 /nfs/dbraw/zinc/47/09/66/518470966.db2.gz PJLZTYFACAOIIH-WYMPLXKRSA-N 0 0 420.321 6.398 50 30 HKEARN C/C(=N\OCc1ccccc1Br)c1cccc(N2Cc3ccccc3C2)c1 ZINC000008781586 571118863 /nfs/dbraw/zinc/11/88/63/571118863.db2.gz SOYAVTBHDKDLRE-KOEQRZSOSA-N 0 0 421.338 5.910 50 30 HKEARN C/C(=N\Oc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000008781627 571118908 /nfs/dbraw/zinc/11/89/08/571118908.db2.gz HSGBVQOQWPYTHM-KIBLKLHPSA-N 0 0 415.198 6.470 50 30 HKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3ccc(Cl)cc3)nc2n1 ZINC000008781667 571119236 /nfs/dbraw/zinc/11/92/36/571119236.db2.gz OGIRQQKTHXKIKR-ZNLRHDTNSA-N 0 0 418.728 5.767 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1F)N=C(SCc1ccc(F)cc1)N2 ZINC000008781825 571119286 /nfs/dbraw/zinc/11/92/86/571119286.db2.gz NVNUHXWCIMNDGB-QFIPXVFZSA-N 0 0 418.468 5.506 50 30 HKEARN N#Cc1c2c(c(-c3ccc(Br)cc3)nc1SCc1ccccc1)CCC2 ZINC000008781827 571119266 /nfs/dbraw/zinc/11/92/66/571119266.db2.gz PGHPNYJGTCGNSQ-UHFFFAOYSA-N 0 0 421.363 6.164 50 30 HKEARN O=C(C/C=N/OCc1ccccc1Br)c1cnc(-c2ccccc2)s1 ZINC000008781981 527671245 /nfs/dbraw/zinc/67/12/45/527671245.db2.gz IPSABKQRUYNXMJ-SSDVNMTOSA-N 0 0 415.312 5.348 50 30 HKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000008782013 571119290 /nfs/dbraw/zinc/11/92/90/571119290.db2.gz XKQSPHMBCFUQNJ-UQOVRSCUSA-N 0 0 418.718 5.564 50 30 HKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000008782014 571119247 /nfs/dbraw/zinc/11/92/47/571119247.db2.gz XKQSPHMBCFUQNJ-AAFUQGSYSA-N 0 0 418.718 5.564 50 30 HKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000008782015 571119285 /nfs/dbraw/zinc/11/92/85/571119285.db2.gz XKQSPHMBCFUQNJ-WQCLTOEXSA-N 0 0 418.718 5.564 50 30 HKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000008782016 571119291 /nfs/dbraw/zinc/11/92/91/571119291.db2.gz XKQSPHMBCFUQNJ-JBBCBPGOSA-N 0 0 418.718 5.564 50 30 HKEARN Fc1cc(Oc2ccccc2/C=N/OCc2c(Cl)cccc2Cl)ccc1Cl ZINC000008782082 571119239 /nfs/dbraw/zinc/11/92/39/571119239.db2.gz GGHKYDPXUYTETC-OPEKNORGSA-N 0 0 424.686 7.129 50 30 HKEARN Fc1cc(Oc2ccccc2/C=N/OCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000008782083 526309656 /nfs/dbraw/zinc/30/96/56/526309656.db2.gz LZVUTOZHRBZVBW-OPEKNORGSA-N 0 0 424.686 7.129 50 30 HKEARN Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000008782165 571119273 /nfs/dbraw/zinc/11/92/73/571119273.db2.gz URVZAUPGGVORAB-FOKLQQMPSA-N 0 0 416.333 6.229 50 30 HKEARN Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sccn23)cc1 ZINC000008782170 571119289 /nfs/dbraw/zinc/11/92/89/571119289.db2.gz DGGZCDSZQOHULA-ZHACJKMWSA-N 0 0 423.335 6.030 50 30 HKEARN N#C[C@@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl ZINC000008782171 557808361 /nfs/dbraw/zinc/80/83/61/557808361.db2.gz ULYGLIMYXDSDBA-NSHDSACASA-N 0 0 408.260 5.868 50 30 HKEARN C=CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1-c1ccccc1 ZINC000008782282 571119466 /nfs/dbraw/zinc/11/94/66/571119466.db2.gz LYTBUTYZWKBQHG-UHFFFAOYSA-N 0 0 421.473 5.179 50 30 HKEARN C=CCc1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)c(OC)c1 ZINC000008787412 571119818 /nfs/dbraw/zinc/11/98/18/571119818.db2.gz LRCGDMVDXQEYTN-UHFFFAOYSA-N 0 0 402.469 5.659 50 30 HKEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 ZINC000008788875 571119890 /nfs/dbraw/zinc/11/98/90/571119890.db2.gz IGQOEVRXKFJAQC-YMKHCOABSA-N 0 0 424.452 5.538 50 30 biogenic HKEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 ZINC000008788877 571119854 /nfs/dbraw/zinc/11/98/54/571119854.db2.gz IGQOEVRXKFJAQC-MQKZQLNTSA-N 0 0 424.452 5.538 50 30 biogenic HKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000008789505 571119768 /nfs/dbraw/zinc/11/97/68/571119768.db2.gz LWZJIAVLEMDFEL-YMKHCOABSA-N 0 0 424.452 5.538 50 30 biogenic HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O ZINC000008790468 571119912 /nfs/dbraw/zinc/11/99/12/571119912.db2.gz XJCFVHQRPKCYFF-IPZBLWQDSA-N 0 0 422.480 6.102 50 30 biogenic HKEARN COc1cc(C=NNC(N)=S)ccc1OCc1c(Cl)ccc(Cl)c1Cl ZINC000008798148 571120443 /nfs/dbraw/zinc/12/04/43/571120443.db2.gz WEFWNMABVINRNV-QPSGOUHRSA-N 0 0 418.733 5.022 50 30 HKEARN N#Cc1c(SCc2ccccc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000008809577 571121029 /nfs/dbraw/zinc/12/10/29/571121029.db2.gz NSHLUHSMOFGPBR-UHFFFAOYSA-N 0 0 418.974 7.294 50 30 HKEARN N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1cccs1)CCC2 ZINC000008809598 571121037 /nfs/dbraw/zinc/12/10/37/571121037.db2.gz SVRADZOFRLKSIS-UHFFFAOYSA-N 0 0 417.386 6.770 50 30 HKEARN N#Cc1c(SCc2ccccc2Cl)nc(-c2cccs2)cc1C(F)(F)F ZINC000008809670 571121009 /nfs/dbraw/zinc/12/10/09/571121009.db2.gz ADJKYHZBMQGBDS-UHFFFAOYSA-N 0 0 410.873 6.646 50 30 HKEARN N#Cc1c(SCc2ccc(Cl)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000008809671 569390341 /nfs/dbraw/zinc/39/03/41/569390341.db2.gz XOULUVBUXKOVNU-UHFFFAOYSA-N 0 0 410.873 6.646 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCCc3ccccc3)c2C#N)cc1 ZINC000008809685 571121058 /nfs/dbraw/zinc/12/10/58/571121058.db2.gz MOEMGGSRKBUMJM-UHFFFAOYSA-N 0 0 422.553 6.631 50 30 HKEARN N#Cc1c(SCc2ccncc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000008809735 571121116 /nfs/dbraw/zinc/12/11/16/571121116.db2.gz SBOPIBYILAIJFS-UHFFFAOYSA-N 0 0 419.962 6.689 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(F)cc1 ZINC000008809778 571120916 /nfs/dbraw/zinc/12/09/16/571120916.db2.gz OOKQCJDKQTUVLC-UHFFFAOYSA-N 0 0 424.500 6.401 50 30 HKEARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000008809799 571120931 /nfs/dbraw/zinc/12/09/31/571120931.db2.gz CANJKVQCBAEKCB-UHFFFAOYSA-N 0 0 420.537 6.571 50 30 HKEARN O=C(/C=C/c1cccs1)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008817575 571121337 /nfs/dbraw/zinc/12/13/37/571121337.db2.gz WAXRHMGQMHUXBO-CMDGGOBGSA-N 0 0 413.838 5.425 50 30 HKEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2ccccc2OC)c1 ZINC000008817633 571121430 /nfs/dbraw/zinc/12/14/30/571121430.db2.gz YUVRGZRHMCVIPI-NTEUORMPSA-N 0 0 422.864 5.473 50 30 HKEARN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1OC ZINC000008820747 571121633 /nfs/dbraw/zinc/12/16/33/571121633.db2.gz YMXROLUJIHRZTN-MFOYZWKCSA-N 0 0 423.321 5.292 50 30 HKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820946 560639589 /nfs/dbraw/zinc/63/95/89/560639589.db2.gz HFYALIHONCBVRS-WOJGMQOQSA-N 0 0 415.301 6.145 50 30 HKEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccc(Cl)cc1Cl ZINC000008823636 571121627 /nfs/dbraw/zinc/12/16/27/571121627.db2.gz LGPDWRIMQWEPRA-GRSHGNNSSA-N 0 0 404.293 5.301 50 30 HKEARN CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)cc1 ZINC000008823659 571121636 /nfs/dbraw/zinc/12/16/36/571121636.db2.gz ZGQURSZWSMQRSJ-CFRMEGHHSA-N 0 0 423.553 5.521 50 30 HKEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O ZINC000008823660 571121746 /nfs/dbraw/zinc/12/17/46/571121746.db2.gz YIIBVRURVMEOPF-CFRMEGHHSA-N 0 0 423.553 5.521 50 30 HKEARN COc1cc(/C=C2\SC(=S)N(c3ccccc3C(C)C)C2=O)ccc1OCC#N ZINC000008824447 569390463 /nfs/dbraw/zinc/39/04/63/569390463.db2.gz LFHKYJVAZMFAAS-MOSHPQCFSA-N 0 0 424.547 5.127 50 30 HKEARN O=C1c2ccccc2S/C1=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000008826706 571122258 /nfs/dbraw/zinc/12/22/58/571122258.db2.gz YOMNEZVMGYAMJE-BKUYFWCQSA-N 0 0 423.331 6.358 50 30 HKEARN Cc1nnc(N=C(Nc2ccc(C)cc2)N2N=C(C)S[C@H]2c2ccc(C)cc2)s1 ZINC000008829006 557811154 /nfs/dbraw/zinc/81/11/54/557811154.db2.gz PWXKJOPSQULAOD-IBGZPJMESA-N 0 0 422.583 5.644 50 30 HKEARN Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@H]2c2ccc(C)cc2)s1 ZINC000008829007 557811269 /nfs/dbraw/zinc/81/12/69/557811269.db2.gz BOQCHHZXLDJJBX-SFHVURJKSA-N 0 0 408.556 5.336 50 30 HKEARN N#Cc1cccc(NC(=O)CSc2ccc3c4c2cccc4C(=O)c2ccccc2-3)c1 ZINC000008829688 569390475 /nfs/dbraw/zinc/39/04/75/569390475.db2.gz WBTLLPSATGFNIJ-UHFFFAOYSA-N 0 0 420.493 5.654 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008833802 571123182 /nfs/dbraw/zinc/12/31/82/571123182.db2.gz UKQVLHCZHABJSZ-KGENOOAVSA-N 0 0 420.921 5.811 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000008837172 526389885 /nfs/dbraw/zinc/38/98/85/526389885.db2.gz FSYBTMRFJHXAIQ-IFRROFPPSA-N 0 0 418.136 5.730 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000008837876 557811753 /nfs/dbraw/zinc/81/17/53/557811753.db2.gz PFODPDCZBMPSQX-GOSISDBHSA-N 0 0 424.909 5.196 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000008837877 557811710 /nfs/dbraw/zinc/81/17/10/557811710.db2.gz PFODPDCZBMPSQX-SFHVURJKSA-N 0 0 424.909 5.196 50 30 HKEARN CCOC(=O)c1ccc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1 ZINC000008843108 571124476 /nfs/dbraw/zinc/12/44/76/571124476.db2.gz ZOTCASUUCGTPRZ-JQAMDZJQSA-N 0 0 424.325 5.265 50 30 HKEARN N#Cc1c(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000008843836 571124582 /nfs/dbraw/zinc/12/45/82/571124582.db2.gz CDGIFNHHNUYCQO-UHFFFAOYSA-N 0 0 410.926 5.983 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1 ZINC000008844489 571124843 /nfs/dbraw/zinc/12/48/43/571124843.db2.gz SOUQYNGFCMICFO-UHFFFAOYSA-N 0 0 403.413 5.445 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)cc1 ZINC000008844497 571124881 /nfs/dbraw/zinc/12/48/81/571124881.db2.gz VFESFRSTWTZFMC-UHFFFAOYSA-N 0 0 411.461 5.256 50 30 HKEARN COc1ccc(CNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 ZINC000008844505 571124940 /nfs/dbraw/zinc/12/49/40/571124940.db2.gz WTNWWWWCCXIOAH-UHFFFAOYSA-N 0 0 415.449 5.314 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccccc1 ZINC000008844510 571124937 /nfs/dbraw/zinc/12/49/37/571124937.db2.gz QYNZCWWUOWVZKC-UHFFFAOYSA-N 0 0 405.841 5.651 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccc(F)cc1 ZINC000008844511 571124944 /nfs/dbraw/zinc/12/49/44/571124944.db2.gz VALDEJSWZGWDMP-UHFFFAOYSA-N 0 0 423.831 5.790 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCCc1ccccc1 ZINC000008844512 571124859 /nfs/dbraw/zinc/12/48/59/571124859.db2.gz XDOWLMSSCQPRLO-UHFFFAOYSA-N 0 0 419.868 5.693 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 ZINC000008844521 571124871 /nfs/dbraw/zinc/12/48/71/571124871.db2.gz MNIKUYLNIFCTQB-UHFFFAOYSA-N 0 0 421.840 5.791 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NCCc4ccccc4)o3)o2)cc1 ZINC000008844528 571124846 /nfs/dbraw/zinc/12/48/46/571124846.db2.gz DGNUHHZQEVFPDT-UHFFFAOYSA-N 0 0 415.449 5.048 50 30 HKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)cc1 ZINC000008844534 571124849 /nfs/dbraw/zinc/12/48/49/571124849.db2.gz PBWYCJVPCRZWAC-UHFFFAOYSA-N 0 0 415.449 5.030 50 30 HKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)c1 ZINC000008844538 571124916 /nfs/dbraw/zinc/12/49/16/571124916.db2.gz JOCMXMFBSCFAQL-UHFFFAOYSA-N 0 0 403.413 5.445 50 30 HKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)c1 ZINC000008844543 571124888 /nfs/dbraw/zinc/12/48/88/571124888.db2.gz QGNFKPOUSAFDJH-UHFFFAOYSA-N 0 0 411.461 5.256 50 30 HKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)o1 ZINC000008844555 571124912 /nfs/dbraw/zinc/12/49/12/571124912.db2.gz WPJFPLRZXDAPGC-UHFFFAOYSA-N 0 0 411.461 5.256 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 ZINC000008845924 571125670 /nfs/dbraw/zinc/12/56/70/571125670.db2.gz FVUMQNFQMXCXJQ-UHFFFAOYSA-N 0 0 401.422 5.446 50 30 HKEARN C=CCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1C1CCCCC1 ZINC000008853004 571127571 /nfs/dbraw/zinc/12/75/71/571127571.db2.gz NHRVHVNMUVXWLH-INIZCTEOSA-N 0 0 424.570 5.228 50 30 HKEARN C=CCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nnc1C1CCCCC1 ZINC000008853005 519208742 /nfs/dbraw/zinc/20/87/42/519208742.db2.gz NHRVHVNMUVXWLH-MRXNPFEDSA-N 0 0 424.570 5.228 50 30 HKEARN COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 ZINC000008855095 569390525 /nfs/dbraw/zinc/39/05/25/569390525.db2.gz SYXSQXFUFGEOHA-JLHYYAGUSA-N 0 0 424.572 5.495 50 30 HKEARN N#Cc1ccc(Oc2ccc(/C=N/OC(=O)c3ccc(Cl)cc3Cl)cn2)cc1 ZINC000008855312 569390513 /nfs/dbraw/zinc/39/05/13/569390513.db2.gz FRAYPVAABOJWTH-BRJLIKDPSA-N 0 0 412.232 5.243 50 30 HKEARN Clc1ccc(CO/N=C/c2ccc(Sc3ccccc3Cl)nc2)c(Cl)c1 ZINC000008855313 569390502 /nfs/dbraw/zinc/39/05/02/569390502.db2.gz CBNDURLZFGZKNC-BHGWPJFGSA-N 0 0 423.752 6.744 50 30 HKEARN N#Cc1c(SCC(=O)c2cccs2)nc(-c2cccs2)cc1-c1cccs1 ZINC000008856160 569259690 /nfs/dbraw/zinc/25/96/90/569259690.db2.gz DCCYTKKDAZEVLY-UHFFFAOYSA-N 0 0 424.597 6.447 50 30 HKEARN N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SC/C=C/c1ccccc1 ZINC000008856197 571128092 /nfs/dbraw/zinc/12/80/92/571128092.db2.gz WHFFFVLBUJUXMG-RUDMXATFSA-N 0 0 416.596 7.216 50 30 HKEARN FC(F)(F)c1nc2ccccc2n1CC#CCn1c2ccccc2nc1C(F)(F)F ZINC000008856329 568984418 /nfs/dbraw/zinc/98/44/18/568984418.db2.gz HXBXABITVZMQPN-UHFFFAOYSA-N 0 0 422.332 5.127 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc(Cl)c1Cl ZINC000008856933 571127967 /nfs/dbraw/zinc/12/79/67/571127967.db2.gz FCAADTFGYZMVOM-OAQYLSRUSA-N 0 0 423.343 6.742 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc(Cl)c1Cl ZINC000008856934 520260775 /nfs/dbraw/zinc/26/07/75/520260775.db2.gz FCAADTFGYZMVOM-NRFANRHFSA-N 0 0 423.343 6.742 50 30 HKEARN N#Cc1c(SCc2ccccc2F)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000008856958 571128379 /nfs/dbraw/zinc/12/83/79/571128379.db2.gz KLDQYHXWAYZFJM-UHFFFAOYSA-N 0 0 420.509 6.919 50 30 HKEARN N#C[C@@H](c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F)c1ccccc1Cl ZINC000008857105 569390601 /nfs/dbraw/zinc/39/06/01/569390601.db2.gz XTOBHZKOWUALDS-LLVKDONJSA-N 0 0 415.724 5.976 50 30 HKEARN N#C[C@H](c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F)c1ccccc1Cl ZINC000008857106 569390606 /nfs/dbraw/zinc/39/06/06/569390606.db2.gz XTOBHZKOWUALDS-NSHDSACASA-N 0 0 415.724 5.976 50 30 HKEARN N#Cc1c(Oc2ccc(Cl)cc2Cl)nc(-c2ccccc2)cc1C(F)(F)F ZINC000008857131 569390629 /nfs/dbraw/zinc/39/06/29/569390629.db2.gz KNNQNFQLSOOBBG-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Sc1ccc(C(F)(F)F)cc1 ZINC000008857133 569390616 /nfs/dbraw/zinc/39/06/16/569390616.db2.gz CMMCXOYAYYYSHK-UHFFFAOYSA-N 0 0 424.369 6.809 50 30 HKEARN Cc1ccccc1CSc1nc(-c2cccc(C(F)(F)F)c2)c2c(c1C#N)CCC2 ZINC000008857197 569390610 /nfs/dbraw/zinc/39/06/10/569390610.db2.gz BPXQVEKZGYCJEX-UHFFFAOYSA-N 0 0 424.491 6.729 50 30 HKEARN COc1ccc(C=NNc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000008857334 569390619 /nfs/dbraw/zinc/39/06/19/569390619.db2.gz NPFUFHOHHODNSC-YCPBAFNGSA-N 0 0 414.309 5.122 50 30 HKEARN N#Cc1c(Oc2ccc3ccccc3c2)nc(-c2cccc(Cl)c2)cc1C(F)(F)F ZINC000008857344 569390590 /nfs/dbraw/zinc/39/05/90/569390590.db2.gz CBJZHZGZKYNBQM-UHFFFAOYSA-N 0 0 424.809 7.238 50 30 HKEARN N#Cc1c(Oc2ccc3ccccc3c2)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000008857345 569390591 /nfs/dbraw/zinc/39/05/91/569390591.db2.gz KGMJPOAFQOKVNV-UHFFFAOYSA-N 0 0 424.809 7.238 50 30 HKEARN N#Cc1c(Oc2ccc3ccccc3c2)nc(-c2ccccc2Cl)cc1C(F)(F)F ZINC000008857348 569390628 /nfs/dbraw/zinc/39/06/28/569390628.db2.gz KDVMHRDUBDBMDQ-UHFFFAOYSA-N 0 0 424.809 7.238 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1c(Cl)cccc1Cl ZINC000008857396 569390638 /nfs/dbraw/zinc/39/06/38/569390638.db2.gz DNVJSIFKDVEPHS-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(Cl)c(Cl)c1 ZINC000008857397 569390632 /nfs/dbraw/zinc/39/06/32/569390632.db2.gz AOKRRENJYQAJNG-UHFFFAOYSA-N 0 0 409.194 6.738 50 30 HKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1cccc(C(F)(F)F)c1 ZINC000008857400 569390608 /nfs/dbraw/zinc/39/06/08/569390608.db2.gz WQMHBSURCPRPTB-UHFFFAOYSA-N 0 0 424.369 6.809 50 30 HKEARN CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008861735 571128725 /nfs/dbraw/zinc/12/87/25/571128725.db2.gz AUFOMNRMOHZCBZ-LSFURLLWSA-N 0 0 416.761 5.044 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccc(F)cc1 ZINC000008862442 571128885 /nfs/dbraw/zinc/12/88/85/571128885.db2.gz SBHJKPBGJGMLMA-UHFFFAOYSA-N 0 0 421.501 5.175 50 30 HKEARN O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccccc1)c1cccs1 ZINC000008867509 571129390 /nfs/dbraw/zinc/12/93/90/571129390.db2.gz GQIPCUUNRASBJJ-LPYMAVHISA-N 0 0 420.519 5.276 50 30 HKEARN COC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1cccs1 ZINC000008868780 523479337 /nfs/dbraw/zinc/47/93/37/523479337.db2.gz SPZJNHKXKOUITR-CIAFOILYSA-N 0 0 414.556 5.793 50 30 HKEARN COC(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1cccs1 ZINC000008868782 557812608 /nfs/dbraw/zinc/81/26/08/557812608.db2.gz WEXHPAGKOAIKRT-UFWORHAWSA-N 0 0 410.883 5.288 50 30 HKEARN CCOc1cc(C#N)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC ZINC000008869020 571129819 /nfs/dbraw/zinc/12/98/19/571129819.db2.gz IOEDEBZGBALZFZ-LBPRGKRZSA-N 0 0 423.296 5.068 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)c2nc3ccccc3o2)cc1 ZINC000008871727 571130525 /nfs/dbraw/zinc/13/05/25/571130525.db2.gz KOBVDTVXKMQGFK-ATVHPVEESA-N 0 0 424.283 6.567 50 30 HKEARN C=CCN1C(=O)/C(=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)SC1=S ZINC000008872533 571130471 /nfs/dbraw/zinc/13/04/71/571130471.db2.gz SRTQFPSBGPODJD-BKHHGCLFSA-N 0 0 406.576 5.381 50 30 HKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000008872768 524327067 /nfs/dbraw/zinc/32/70/67/524327067.db2.gz QWJFIKRAXPOQKE-MFKUBSTISA-N 0 0 419.937 6.585 50 30 HKEARN O=C(Nc1ccc(F)cc1)C(=NNc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F ZINC000008873042 569390724 /nfs/dbraw/zinc/39/07/24/569390724.db2.gz APFSBSFSPXELFN-UVHMKAGCSA-N 0 0 421.272 5.032 50 30 HKEARN N#Cc1c(Cl)cccc1Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000008873095 569390701 /nfs/dbraw/zinc/39/07/01/569390701.db2.gz ULGIPTXZSCXAEE-UHFFFAOYSA-N 0 0 423.221 6.662 50 30 HKEARN Clc1ccc(CO/N=C(/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)C2CC2)cc1 ZINC000008873194 569390722 /nfs/dbraw/zinc/39/07/22/569390722.db2.gz SSURGDUPOCTHOB-LYBHJNIJSA-N 0 0 421.715 5.558 50 30 HKEARN COC(=O)c1ccccc1Sc1nccc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000008873864 569390748 /nfs/dbraw/zinc/39/07/48/569390748.db2.gz PXGYXRSCSFMPBD-UHFFFAOYSA-N 0 0 414.408 5.577 50 30 HKEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1C ZINC000008879282 571131212 /nfs/dbraw/zinc/13/12/12/571131212.db2.gz ZLMBQSFYSTUWFL-UHFFFAOYSA-N 0 0 416.477 5.027 50 30 biogenic HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008885088 571141110 /nfs/dbraw/zinc/14/11/10/571141110.db2.gz CVSICFDKBAGPAV-SGNDLWITSA-N 0 0 421.525 5.341 50 30 HKEARN Cc1ccc(/C=C/C(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000008888458 569390826 /nfs/dbraw/zinc/39/08/26/569390826.db2.gz QXERRMNTVLLOTM-IZZDOVSWSA-N 0 0 417.814 6.751 50 30 HKEARN O=[N+]([O-])c1cccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000008920126 571308206 /nfs/dbraw/zinc/30/82/06/571308206.db2.gz DGGLJOQTIYZSDK-YDZHTSKRSA-N 0 0 403.829 5.304 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000008922053 571158860 /nfs/dbraw/zinc/15/88/60/571158860.db2.gz JAHFGSABWULREF-FQEVSTJZSA-N 0 0 423.390 5.488 50 30 HKEARN Cc1ccsc1/C=C/c1nc2c(c(-c3ccccc3F)c1C#N)C(=O)c1ccccc1-2 ZINC000008925709 569390901 /nfs/dbraw/zinc/39/09/01/569390901.db2.gz UHDXVOVDRMPIRL-ZHACJKMWSA-N 0 0 422.484 6.511 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 ZINC000008926150 571160298 /nfs/dbraw/zinc/16/02/98/571160298.db2.gz OLGSBBOOFRWAAW-ZEQRLZLVSA-N 0 0 422.864 5.108 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 ZINC000008926151 571160291 /nfs/dbraw/zinc/16/02/91/571160291.db2.gz OLGSBBOOFRWAAW-DNQXCXABSA-N 0 0 422.864 5.108 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 ZINC000008926152 571160307 /nfs/dbraw/zinc/16/03/07/571160307.db2.gz OLGSBBOOFRWAAW-RPWUZVMVSA-N 0 0 422.864 5.108 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008927110 527359722 /nfs/dbraw/zinc/35/97/22/527359722.db2.gz BSIICXHGXSNQIU-AWQFTUOYSA-N 0 0 421.196 5.516 50 30 HKEARN COc1ccc(Cl)cc1N=C1SC(=CNc2ccc(C)c(Cl)c2)C(=O)N1C ZINC000008927951 571160227 /nfs/dbraw/zinc/16/02/27/571160227.db2.gz LALYLIXLZKSNME-GMFGMJKXSA-N 0 0 422.337 5.457 50 30 HKEARN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000008934257 571308231 /nfs/dbraw/zinc/30/82/31/571308231.db2.gz REBOQTZLPMXZAA-OEAKJJBVSA-N 0 0 416.462 5.957 50 30 HKEARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000008934268 527498293 /nfs/dbraw/zinc/49/82/93/527498293.db2.gz CDRPVVBWIOFGKZ-LSFURLLWSA-N 0 0 416.289 5.669 50 30 HKEARN O=c1oc2ccc(Cl)cc2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000008934279 527499643 /nfs/dbraw/zinc/49/96/43/527499643.db2.gz SKVMXWFQGASMME-LSFURLLWSA-N 0 0 416.289 5.669 50 30 HKEARN Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 ZINC000008934330 571163366 /nfs/dbraw/zinc/16/33/66/571163366.db2.gz NELIUQGJPNBPRN-UHFFFAOYSA-N 0 0 413.296 5.259 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1cccs1 ZINC000008934628 571163720 /nfs/dbraw/zinc/16/37/20/571163720.db2.gz KCHQYVGDMAWPGB-NJYVYQBISA-N 0 0 413.527 5.094 50 30 HKEARN C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccoc1C ZINC000008935781 571163615 /nfs/dbraw/zinc/16/36/15/571163615.db2.gz ICHVMFDEMNWWOO-UHFFFAOYSA-N 0 0 424.551 5.457 50 30 HKEARN C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O ZINC000008944294 571170573 /nfs/dbraw/zinc/17/05/73/571170573.db2.gz SHGFSTXSTDYOHF-AWEZNQCLSA-N 0 0 424.551 5.164 50 30 HKEARN C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O ZINC000008944299 571170443 /nfs/dbraw/zinc/17/04/43/571170443.db2.gz SHGFSTXSTDYOHF-CQSZACIVSA-N 0 0 424.551 5.164 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000008950531 571172738 /nfs/dbraw/zinc/17/27/38/571172738.db2.gz CFSRTYHAJKLFTE-UHFFFAOYSA-N 0 0 422.550 6.051 50 30 HKEARN COc1ccc(C(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 ZINC000008951494 571180795 /nfs/dbraw/zinc/18/07/95/571180795.db2.gz WFVBABMPDTXRRS-UHFFFAOYSA-N 0 0 420.559 5.544 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C(Br)=Cc1ccccc1 ZINC000008951512 571180809 /nfs/dbraw/zinc/18/08/09/571180809.db2.gz VNVLZAVRMFRLKA-CNCHJIQNSA-N 0 0 423.354 5.972 50 30 HKEARN C=CCN1c2ccc(NC(=O)c3ccc(OCCCC)cc3)cc2OCC(C)(C)C1=O ZINC000008958721 571181880 /nfs/dbraw/zinc/18/18/80/571181880.db2.gz QAJLBPFRVGOHSV-UHFFFAOYSA-N 0 0 422.525 5.055 50 30 HKEARN C=CCN1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000008958800 518875964 /nfs/dbraw/zinc/87/59/64/518875964.db2.gz SOZFCODNPVHMCM-UHFFFAOYSA-N 0 0 406.526 5.174 50 30 HKEARN C=CCN1c2cc(NC(=O)c3ccc(OCCCC)cc3)ccc2OCC(C)(C)C1=O ZINC000008959538 518874492 /nfs/dbraw/zinc/87/44/92/518874492.db2.gz KSHCWYQIRQQRCD-UHFFFAOYSA-N 0 0 422.525 5.055 50 30 HKEARN C=CCN1c2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc2OCC(C)(C)C1=O ZINC000008959573 571183092 /nfs/dbraw/zinc/18/30/92/571183092.db2.gz PSRGWSQEHVSSPU-UHFFFAOYSA-N 0 0 419.308 5.183 50 30 HKEARN C=CCN1c2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2OCC(C)(C)C1=O ZINC000008959574 518874854 /nfs/dbraw/zinc/87/48/54/518874854.db2.gz QYLZUFXSGYIOLB-UHFFFAOYSA-N 0 0 419.308 5.183 50 30 HKEARN C=CCN1c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000008959613 571183068 /nfs/dbraw/zinc/18/30/68/571183068.db2.gz ADJGHKVRIHGFCZ-UHFFFAOYSA-N 0 0 406.526 5.174 50 30 HKEARN Cc1cc(C)n(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)n1 ZINC000008964948 569390985 /nfs/dbraw/zinc/39/09/85/569390985.db2.gz CZMILPKZVVHFCV-UHFFFAOYSA-N 0 0 424.529 5.533 50 30 HKEARN Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000008965034 571191092 /nfs/dbraw/zinc/19/10/92/571191092.db2.gz HESFOJAOYDKPGK-UHFFFAOYSA-N 0 0 418.499 5.072 50 30 HKEARN N#Cc1c(SCc2ccccc2Cl)nc(-c2cccs2)cc1-c1ccccc1 ZINC000008965448 571191151 /nfs/dbraw/zinc/19/11/51/571191151.db2.gz DCQMWOWKPJBGJN-UHFFFAOYSA-N 0 0 418.974 7.294 50 30 HKEARN O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1c[nH]c2ccccc12 ZINC000008969333 527043293 /nfs/dbraw/zinc/04/32/93/527043293.db2.gz SVRVDHVZFLLKCN-APSNUPSMSA-N 0 0 421.831 5.732 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccco3)C2)cc1 ZINC000008969466 525232836 /nfs/dbraw/zinc/23/28/36/525232836.db2.gz OXSMJKJXVFLUDI-FYSMJZIKSA-N 0 0 411.461 5.054 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccco3)C2)cc1 ZINC000008969467 571194410 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CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C(Br)=Cc1ccccc1 ZINC000008974961 520266140 /nfs/dbraw/zinc/26/61/40/520266140.db2.gz VNVLZAVRMFRLKA-MCZSENPKSA-N 0 0 423.354 5.972 50 30 HKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccc(Cl)c2)C1=O ZINC000008983375 571205184 /nfs/dbraw/zinc/20/51/84/571205184.db2.gz XFNRMJBLUPAUJJ-WJDWOHSUSA-N 0 0 420.317 5.537 50 30 HKEARN N#Cc1c(SCC(=O)Nc2cccc(F)c2)nc(-c2cccs2)c2c1CCCC2 ZINC000008986549 569275558 /nfs/dbraw/zinc/27/55/58/569275558.db2.gz FKZWEOIMAHCUBK-UHFFFAOYSA-N 0 0 423.538 5.430 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000008986835 571205855 /nfs/dbraw/zinc/20/58/55/571205855.db2.gz JAHFGSABWULREF-HXUWFJFHSA-N 0 0 423.390 5.488 50 30 HKEARN Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000008990468 526237825 /nfs/dbraw/zinc/23/78/25/526237825.db2.gz OQPGZYLDAZBGJJ-ZVHZXABRSA-N 0 0 423.468 5.631 50 30 HKEARN Cc1c2c(ccc1OC/C=C/c1ccccc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008990548 571206645 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CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 ZINC000008991971 571207484 /nfs/dbraw/zinc/20/74/84/571207484.db2.gz SBOOABJEUAJZLT-AWEZNQCLSA-N 0 0 422.491 6.554 50 30 HKEARN N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1C(F)(F)F)CCCC2 ZINC000008992056 571207473 /nfs/dbraw/zinc/20/74/73/571207473.db2.gz PXTBPIWVCAKECU-UHFFFAOYSA-N 0 0 400.828 5.936 50 30 HKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 ZINC000008992177 571207569 /nfs/dbraw/zinc/20/75/69/571207569.db2.gz XFAQHLNWBSIFPP-UHFFFAOYSA-N 0 0 419.299 6.869 50 30 HKEARN COc1cc(OC)cc(C(=O)/C(=C\C=C\c2ccco2)c2nc3ccccc3o2)c1 ZINC000008992194 571207526 /nfs/dbraw/zinc/20/75/26/571207526.db2.gz MYJNPFDORBVWSP-WTYNHFEKSA-N 0 0 401.418 5.418 50 30 HKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008992291 571207397 /nfs/dbraw/zinc/20/73/97/571207397.db2.gz GOWRZCBDMBKCFQ-ZVHZXABRSA-N 0 0 423.468 5.631 50 30 HKEARN Cc1c2c(ccc1OC(=O)C1CCCCC1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008992508 569391151 /nfs/dbraw/zinc/39/11/51/569391151.db2.gz WQCUBOWTACBHBQ-OEAKJJBVSA-N 0 0 415.489 5.589 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000008993072 571207717 /nfs/dbraw/zinc/20/77/17/571207717.db2.gz HVVCWHCZBHNLSG-UHFFFAOYSA-N 0 0 404.844 6.585 50 30 HKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000008993086 571207790 /nfs/dbraw/zinc/20/77/90/571207790.db2.gz HCKUGSBEBGFRDB-OAHLLOKOSA-N 0 0 404.501 6.415 50 30 HKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000008993087 571207666 /nfs/dbraw/zinc/20/76/66/571207666.db2.gz HCKUGSBEBGFRDB-HNNXBMFYSA-N 0 0 404.501 6.415 50 30 HKEARN Cc1ccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000008993100 571207771 /nfs/dbraw/zinc/20/77/71/571207771.db2.gz MPWZQLCJDVRCPT-AFUMVMLFSA-N 0 0 409.485 5.990 50 30 HKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(F)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000008993168 571207872 /nfs/dbraw/zinc/20/78/72/571207872.db2.gz DKQSRSKEIIIUGG-CQSZACIVSA-N 0 0 422.491 6.554 50 30 HKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccc(F)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000008993169 571207910 /nfs/dbraw/zinc/20/79/10/571207910.db2.gz DKQSRSKEIIIUGG-AWEZNQCLSA-N 0 0 422.491 6.554 50 30 HKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000008993305 571207878 /nfs/dbraw/zinc/20/78/78/571207878.db2.gz AJFIAFHOGHFJIY-UHFFFAOYSA-N 0 0 419.299 6.869 50 30 HKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2c(F)cccc2Cl)n1 ZINC000008993361 571207966 /nfs/dbraw/zinc/20/79/66/571207966.db2.gz FNNIGRDQOKYDAD-UHFFFAOYSA-N 0 0 402.844 6.354 50 30 HKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 ZINC000008993384 571208028 /nfs/dbraw/zinc/20/80/28/571208028.db2.gz LBBIHCDSEUAHKR-UHFFFAOYSA-N 0 0 418.415 6.079 50 30 HKEARN N#Cc1c(SCc2c(Cl)cccc2Cl)nc2c(c1C(F)(F)F)CCCC2 ZINC000008993582 571208015 /nfs/dbraw/zinc/20/80/15/571208015.db2.gz YPGCFBQUZAOVFN-UHFFFAOYSA-N 0 0 417.283 6.450 50 30 HKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000008993657 571208030 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0 408.454 5.015 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008997003 557818298 /nfs/dbraw/zinc/81/82/98/557818298.db2.gz NDKRRNLKVSIOIL-OAQYLSRUSA-N 0 0 418.518 5.045 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008997004 557818391 /nfs/dbraw/zinc/81/83/91/557818391.db2.gz NDKRRNLKVSIOIL-NRFANRHFSA-N 0 0 418.518 5.045 50 30 HKEARN COc1ccc(O)c(/C=N/c2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2C)c1 ZINC000008997187 571209212 /nfs/dbraw/zinc/20/92/12/571209212.db2.gz PIVOVCVECMMAPO-WSDLNYQXSA-N 0 0 422.397 5.020 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009007568 557818919 /nfs/dbraw/zinc/81/89/19/557818919.db2.gz GPDXLJQZWVWACB-LJQANCHMSA-N 0 0 422.481 5.189 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009008703 557818864 /nfs/dbraw/zinc/81/88/64/557818864.db2.gz GPDXLJQZWVWACB-IBGZPJMESA-N 0 0 422.481 5.189 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1 ZINC000009009607 571210032 /nfs/dbraw/zinc/21/00/32/571210032.db2.gz BKWVWYXLCFFOBU-XDHUDOTRSA-N 0 0 411.530 5.822 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1 ZINC000009009608 571210126 /nfs/dbraw/zinc/21/01/26/571210126.db2.gz BKWVWYXLCFFOBU-OSPHWJPCSA-N 0 0 411.530 5.822 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1 ZINC000009009609 525792212 /nfs/dbraw/zinc/79/22/12/525792212.db2.gz BKWVWYXLCFFOBU-BXKMTCNYSA-N 0 0 411.530 5.822 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1 ZINC000009009610 571210165 /nfs/dbraw/zinc/21/01/65/571210165.db2.gz BKWVWYXLCFFOBU-MZNJEOGPSA-N 0 0 411.530 5.822 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1ccc(F)cc1 ZINC000009012574 557819089 /nfs/dbraw/zinc/81/90/89/557819089.db2.gz LNPJCXGMBYQGRY-FQEVSTJZSA-N 0 0 420.513 5.191 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C/c2ccccc2OC)cc1 ZINC000009013138 523773332 /nfs/dbraw/zinc/77/33/32/523773332.db2.gz QSPIXZMBWCILIM-UKTHLTGXSA-N 0 0 422.864 5.473 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1Cl ZINC000009014620 557819335 /nfs/dbraw/zinc/81/93/35/557819335.db2.gz OHKBVUCLKUFLRV-OAQYLSRUSA-N 0 0 419.864 5.137 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1Cl ZINC000009014622 557819480 /nfs/dbraw/zinc/81/94/80/557819480.db2.gz OHKBVUCLKUFLRV-NRFANRHFSA-N 0 0 419.864 5.137 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000009014777 557819470 /nfs/dbraw/zinc/81/94/70/557819470.db2.gz KWFVUMRKFODBDD-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000009015358 571211450 /nfs/dbraw/zinc/21/14/50/571211450.db2.gz YSSMERIZMPHHKP-HSZRJFAPSA-N 0 0 420.553 5.220 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009015359 571211520 /nfs/dbraw/zinc/21/15/20/571211520.db2.gz YSSMERIZMPHHKP-QHCPKHFHSA-N 0 0 420.553 5.220 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009019317 571211935 /nfs/dbraw/zinc/21/19/35/571211935.db2.gz AGSCZHQIWJFNPZ-PKNBQFBNSA-N 0 0 419.820 6.664 50 30 HKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000009019736 557819885 /nfs/dbraw/zinc/81/98/85/557819885.db2.gz ZUKAUCCHEVFSKK-OAQYLSRUSA-N 0 0 421.855 5.258 50 30 HKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000009019737 557819905 /nfs/dbraw/zinc/81/99/05/557819905.db2.gz ZUKAUCCHEVFSKK-NRFANRHFSA-N 0 0 421.855 5.258 50 30 HKEARN O=C1Nc2ccc3oc4ccccc4c3c2C1=NNc1ccc2c(c1)oc1ccccc12 ZINC000009033168 527088938 /nfs/dbraw/zinc/08/89/38/527088938.db2.gz NOIUCIRTPGFSAA-UHFFFAOYSA-N 0 0 417.424 6.254 50 30 biogenic HKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)c1ccccc1O ZINC000009034199 518467477 /nfs/dbraw/zinc/46/74/77/518467477.db2.gz KTAJQARPQXIBNN-UVHMKAGCSA-N 0 0 423.303 6.145 50 30 HKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000009034204 571213016 /nfs/dbraw/zinc/21/30/16/571213016.db2.gz FWJUZEWJJQXVSJ-DHRITJCHSA-N 0 0 423.303 6.058 50 30 HKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000009034241 571213039 /nfs/dbraw/zinc/21/30/39/571213039.db2.gz FULKFPAIJYQVGH-DHRITJCHSA-N 0 0 423.303 6.058 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)sc1C ZINC000009041472 571214995 /nfs/dbraw/zinc/21/49/95/571214995.db2.gz MREMMGBRECSUBI-GOSISDBHSA-N 0 0 424.909 5.196 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)sc1C ZINC000009041476 571214941 /nfs/dbraw/zinc/21/49/41/571214941.db2.gz MREMMGBRECSUBI-SFHVURJKSA-N 0 0 424.909 5.196 50 30 HKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 ZINC000009044720 557820327 /nfs/dbraw/zinc/82/03/27/557820327.db2.gz LUQXEEPEXAKVCY-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cccc(Cl)c1 ZINC000009044723 557820314 /nfs/dbraw/zinc/82/03/14/557820314.db2.gz LUQXEEPEXAKVCY-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccs1 ZINC000009045463 557820426 /nfs/dbraw/zinc/82/04/26/557820426.db2.gz ROXVWJFZVWYMHU-SFHVURJKSA-N 0 0 420.456 5.453 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccs1 ZINC000009045467 557820311 /nfs/dbraw/zinc/82/03/11/557820311.db2.gz ROXVWJFZVWYMHU-GOSISDBHSA-N 0 0 420.456 5.453 50 30 HKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000009046864 571308378 /nfs/dbraw/zinc/30/83/78/571308378.db2.gz AZEYKWGBQPOURL-LSFURLLWSA-N 0 0 416.289 5.669 50 30 HKEARN COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2OC)c2nc3ccccc3o2)cc1 ZINC000009047146 571215650 /nfs/dbraw/zinc/21/56/50/571215650.db2.gz VFVXGAGINDBZDD-CYVLTUHYSA-N 0 0 413.429 5.047 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3o2)cc1OC ZINC000009047242 571215654 /nfs/dbraw/zinc/21/56/54/571215654.db2.gz BXTBFXZFRNBCFP-SSZFMOIBSA-N 0 0 405.475 5.638 50 30 HKEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000009048634 571215885 /nfs/dbraw/zinc/21/58/85/571215885.db2.gz SQPJQJMKPXJXSI-YVNNLAQVSA-N 0 0 420.848 5.402 50 30 HKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O ZINC000009049804 524315950 /nfs/dbraw/zinc/31/59/50/524315950.db2.gz CQEGDIMZQORZNL-NZTCXJKESA-N 0 0 410.469 5.960 50 30 HKEARN N#Cc1cccc(NC(=O)c2oc3ccccc3c2-c2cnn(-c3ccccc3)c2)c1 ZINC000009051406 571216221 /nfs/dbraw/zinc/21/62/21/571216221.db2.gz DMURXAPIFIUBHF-UHFFFAOYSA-N 0 0 404.429 5.409 50 30 HKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(Cl)cc1Cl ZINC000009051623 571216267 /nfs/dbraw/zinc/21/62/67/571216267.db2.gz HXEHXMIQSMUGCK-PQDVAEEHSA-N 0 0 423.295 6.702 50 30 HKEARN O=C1c2ccc(OCc3ccc(Cl)cc3)cc2O/C1=C\c1ccc2c(c1)OCO2 ZINC000009051797 571216298 /nfs/dbraw/zinc/21/62/98/571216298.db2.gz BEJHTYHQSTVFAA-YVNNLAQVSA-N 0 0 406.821 5.264 50 30 HKEARN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1ccc2c(c1)OCO2 ZINC000009052416 571216507 /nfs/dbraw/zinc/21/65/07/571216507.db2.gz VAYDDHQMHPHVLT-YVNNLAQVSA-N 0 0 406.821 5.264 50 30 HKEARN C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1C1CCCCC1 ZINC000009054109 571216668 /nfs/dbraw/zinc/21/66/68/571216668.db2.gz GTBZORAHQYSXFP-MRXNPFEDSA-N 0 0 409.559 5.724 50 30 HKEARN C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1C1CCCCC1 ZINC000009054110 519253587 /nfs/dbraw/zinc/25/35/87/519253587.db2.gz GTBZORAHQYSXFP-INIZCTEOSA-N 0 0 409.559 5.724 50 30 HKEARN COc1cccc(C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)c2nc3ccccc3o2)c1 ZINC000009054224 571216700 /nfs/dbraw/zinc/21/67/00/571216700.db2.gz NISSZKNMXZFBSD-DBZAVIBRSA-N 0 0 423.468 5.967 50 30 HKEARN CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000009064986 523769846 /nfs/dbraw/zinc/76/98/46/523769846.db2.gz OWJRGISWRGETFN-MFKUBSTISA-N 0 0 419.937 6.726 50 30 HKEARN CC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000009075772 571218916 /nfs/dbraw/zinc/21/89/16/571218916.db2.gz MISNKYJCYIVJBT-QFIPXVFZSA-N 0 0 423.563 5.136 50 30 HKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000009075877 571218923 /nfs/dbraw/zinc/21/89/23/571218923.db2.gz LDFAESWBFQNWBF-DJOYVXLESA-N 0 0 423.494 5.150 50 30 HKEARN O=C(/C=C/c1ccc2ccccc2n1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000009087093 571219689 /nfs/dbraw/zinc/21/96/89/571219689.db2.gz QSSHRWGBPLWJRZ-WUKNDPDISA-N 0 0 402.453 5.639 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009087508 571220052 /nfs/dbraw/zinc/22/00/52/571220052.db2.gz WXRADKAACARODO-HXUWFJFHSA-N 0 0 407.853 5.020 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009087509 571220101 /nfs/dbraw/zinc/22/01/01/571220101.db2.gz WXRADKAACARODO-FQEVSTJZSA-N 0 0 407.853 5.020 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1ccccc1 ZINC000009087577 557822369 /nfs/dbraw/zinc/82/23/69/557822369.db2.gz YMIREIBPQIBICZ-FQEVSTJZSA-N 0 0 402.523 5.052 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1ccccc1 ZINC000009087578 557822323 /nfs/dbraw/zinc/82/23/23/557822323.db2.gz YMIREIBPQIBICZ-HXUWFJFHSA-N 0 0 402.523 5.052 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 ZINC000009088520 571220136 /nfs/dbraw/zinc/22/01/36/571220136.db2.gz DFCICSLHCKGLSV-JOCHJYFZSA-N 0 0 407.510 5.162 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009088521 571220152 /nfs/dbraw/zinc/22/01/52/571220152.db2.gz DFCICSLHCKGLSV-QFIPXVFZSA-N 0 0 407.510 5.162 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1 ZINC000009088986 571220043 /nfs/dbraw/zinc/22/00/43/571220043.db2.gz YNNPHOJZADCRAO-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 ZINC000009088987 571219994 /nfs/dbraw/zinc/21/99/94/571219994.db2.gz YNNPHOJZADCRAO-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009089443 571220423 /nfs/dbraw/zinc/22/04/23/571220423.db2.gz VAXDFWSCAWAJOS-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009089444 571220266 /nfs/dbraw/zinc/22/02/66/571220266.db2.gz VAXDFWSCAWAJOS-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009089461 571220220 /nfs/dbraw/zinc/22/02/20/571220220.db2.gz JYDZQZHRGYRQGT-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009089462 571220338 /nfs/dbraw/zinc/22/03/38/571220338.db2.gz JYDZQZHRGYRQGT-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN O=C(/C=C/c1ccc2cccnc2c1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000009089833 527622611 /nfs/dbraw/zinc/62/26/11/527622611.db2.gz ZOTKFBWPQIKPLK-FYWRMAATSA-N 0 0 402.453 5.639 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009095797 560757429 /nfs/dbraw/zinc/75/74/29/560757429.db2.gz MDKCJLMZEIAMFH-UHFFFAOYSA-N 0 0 419.506 5.169 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000009108650 571222005 /nfs/dbraw/zinc/22/20/05/571222005.db2.gz TUKMQBWGPIGDIL-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000009108651 571222051 /nfs/dbraw/zinc/22/20/51/571222051.db2.gz TUKMQBWGPIGDIL-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1ccccc1Cl ZINC000009108685 557823929 /nfs/dbraw/zinc/82/39/29/557823929.db2.gz MBMNAAZTSJKXFK-HXUWFJFHSA-N 0 0 420.900 5.237 50 30 HKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000009109112 557823906 /nfs/dbraw/zinc/82/39/06/557823906.db2.gz ODIXQCJTTBNLKR-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000009109113 557823985 /nfs/dbraw/zinc/82/39/85/557823985.db2.gz ODIXQCJTTBNLKR-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1cc(F)cc(F)c1 ZINC000009109166 571222083 /nfs/dbraw/zinc/22/20/83/571222083.db2.gz DIWNSEKJRXMSCD-QKFKETGDSA-N 0 0 410.464 5.374 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000009109291 569391508 /nfs/dbraw/zinc/39/15/08/569391508.db2.gz GZYBJWUKXKBPNG-JAIQZWGSSA-N 0 0 421.792 5.084 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009109481 571222240 /nfs/dbraw/zinc/22/22/40/571222240.db2.gz OUTPPGOEBVUWBY-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C(F)(F)C(F)(F)C(F)(F)F ZINC000009109682 571222480 /nfs/dbraw/zinc/22/24/80/571222480.db2.gz XKHKYMAZSJSSHI-UHFFFAOYSA-N 0 0 422.325 5.735 50 30 HKEARN CCOc1ccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000009109806 521032452 /nfs/dbraw/zinc/03/24/52/521032452.db2.gz UWYKRYMEQIRJCY-UQQQWYQISA-N 0 0 417.321 5.855 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009110056 571222616 /nfs/dbraw/zinc/22/26/16/571222616.db2.gz OUTPPGOEBVUWBY-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000009110474 571222578 /nfs/dbraw/zinc/22/25/78/571222578.db2.gz ZHSJFNPHXFKNQP-FQEVSTJZSA-N 0 0 424.283 5.776 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000009110475 571222726 /nfs/dbraw/zinc/22/27/26/571222726.db2.gz ZHSJFNPHXFKNQP-HXUWFJFHSA-N 0 0 424.283 5.776 50 30 HKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2C)c1C#N ZINC000009111370 571223208 /nfs/dbraw/zinc/22/32/08/571223208.db2.gz QIOOASUGJPOQFD-UHFFFAOYSA-N 0 0 422.553 6.897 50 30 HKEARN C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009112012 519250947 /nfs/dbraw/zinc/25/09/47/519250947.db2.gz XRUAARWZLMGXQR-SFHVURJKSA-N 0 0 418.349 5.860 50 30 HKEARN C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009112013 519255432 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5.196 50 30 HKEARN COc1ccc(Br)cc1-c1nc(COc2ccccc2C#N)cs1 ZINC000009125428 571226239 /nfs/dbraw/zinc/22/62/39/571226239.db2.gz DFIUPQGGHSUWNL-UHFFFAOYSA-N 0 0 401.285 5.032 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000009125697 571226453 /nfs/dbraw/zinc/22/64/53/571226453.db2.gz MWXODALWKDVQFY-UHFFFAOYSA-N 0 0 406.510 6.629 50 30 HKEARN C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nc2ccccc2c1=O ZINC000009126112 571226496 /nfs/dbraw/zinc/22/64/96/571226496.db2.gz GNOKFFFHRFZRQD-UHFFFAOYSA-N 0 0 421.547 5.007 50 30 HKEARN N#Cc1ccsc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000009126543 571226666 /nfs/dbraw/zinc/22/66/66/571226666.db2.gz GVKIEKBOAVSJTO-UHFFFAOYSA-N 0 0 417.515 5.673 50 30 HKEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000009134099 571229147 /nfs/dbraw/zinc/22/91/47/571229147.db2.gz ZMRSWOMDIMPUNV-FMCGGJTJSA-N 0 0 420.848 5.227 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009135532 571229832 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C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000009157925 571232109 /nfs/dbraw/zinc/23/21/09/571232109.db2.gz TXSLHSGXRHRLRW-JOCHJYFZSA-N 0 0 417.896 5.345 50 30 HKEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000009157926 571232136 /nfs/dbraw/zinc/23/21/36/571232136.db2.gz TXSLHSGXRHRLRW-QFIPXVFZSA-N 0 0 417.896 5.345 50 30 HKEARN N#CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 ZINC000009158424 571232138 /nfs/dbraw/zinc/23/21/38/571232138.db2.gz NZOVIEKNUHMVCX-UHFFFAOYSA-N 0 0 424.172 5.144 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)N(c1ccccc1)c1ccccc1 ZINC000009158728 571232120 /nfs/dbraw/zinc/23/21/20/571232120.db2.gz LUCVLDBHXUFWMP-JLPGSUDCSA-N 0 0 423.424 6.233 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1 ZINC000009174850 571234317 /nfs/dbraw/zinc/23/43/17/571234317.db2.gz CWXAJJDYCARQKU-BFEXVFPXSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000009174865 571234277 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C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1OC ZINC000009255935 571243516 /nfs/dbraw/zinc/24/35/16/571243516.db2.gz APNVRWUYSKAZHZ-UHFFFAOYSA-N 0 0 404.495 5.087 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000009259322 527360086 /nfs/dbraw/zinc/36/00/86/527360086.db2.gz GTDICEVUMMTYJP-VXLYETTFSA-N 0 0 418.818 5.347 50 30 HKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 ZINC000009261343 557833419 /nfs/dbraw/zinc/83/34/19/557833419.db2.gz KBJLIYUOQQYHHT-UDWIEESQSA-N 0 0 419.462 5.363 50 30 HKEARN O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000009261525 557833326 /nfs/dbraw/zinc/83/33/26/557833326.db2.gz UXMUQMRCJSNPGJ-PIDRKRQWSA-N 0 0 423.541 6.015 50 30 HKEARN C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000009262764 568986340 /nfs/dbraw/zinc/98/63/40/568986340.db2.gz VDAVIIOQCWWFGG-OQLLNIDSSA-N 0 0 424.703 5.585 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009263504 571243876 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O=C1Nc2cc3oc4ccccc4c3cc2C1=NNc1ccc2c(c1)oc1ccccc12 ZINC000009310946 571247211 /nfs/dbraw/zinc/24/72/11/571247211.db2.gz ZBULSGGKLYQKQV-UHFFFAOYSA-N 0 0 417.424 6.254 50 30 HKEARN C=C(C)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009311255 518625493 /nfs/dbraw/zinc/62/54/93/518625493.db2.gz NBPMUPXJAIJIST-UHFFFAOYSA-N 0 0 423.563 6.019 50 30 HKEARN O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000009311828 526948126 /nfs/dbraw/zinc/94/81/26/526948126.db2.gz POWIPSMHDSPLOB-GJHWIIEUSA-N 0 0 421.525 6.286 50 30 HKEARN COc1ccc(-n2cccc2/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1 ZINC000009311840 523338081 /nfs/dbraw/zinc/33/80/81/523338081.db2.gz NPHLZDULFVNDRJ-MOSHPQCFSA-N 0 0 423.925 5.339 50 30 HKEARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000009314430 571247305 /nfs/dbraw/zinc/24/73/05/571247305.db2.gz PGDAXJALHBCEHM-UHFFFAOYSA-N 0 0 420.516 5.017 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1occc1C ZINC000009315670 519213271 /nfs/dbraw/zinc/21/32/71/519213271.db2.gz JCSDVFFONUEOIC-UHFFFAOYSA-N 0 0 423.325 5.070 50 30 HKEARN C[C@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000009316385 571247551 /nfs/dbraw/zinc/24/75/51/571247551.db2.gz LMDBCXHNNQJNIS-HNNXBMFYSA-N 0 0 422.579 5.182 50 30 HKEARN C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000009316388 526001189 /nfs/dbraw/zinc/00/11/89/526001189.db2.gz LMDBCXHNNQJNIS-OAHLLOKOSA-N 0 0 422.579 5.182 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c(Cl)cccc1Cl ZINC000009317682 526389870 /nfs/dbraw/zinc/38/98/70/526389870.db2.gz HHAARQIKVDZYRB-IFRROFPPSA-N 0 0 418.136 5.730 50 30 HKEARN Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000009317710 571247759 /nfs/dbraw/zinc/24/77/59/571247759.db2.gz SDHLMTFDDHSNAT-UHFFFAOYSA-N 0 0 418.909 5.372 50 30 HKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1 ZINC000009319553 571247958 /nfs/dbraw/zinc/24/79/58/571247958.db2.gz UBTZHZPRBUEGLR-UHFFFAOYSA-N 0 0 410.951 6.188 50 30 HKEARN O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N/c2ccccc2)N1Cc1ccco1 ZINC000009323323 571248167 /nfs/dbraw/zinc/24/81/67/571248167.db2.gz WZQDFNLYQGAXDD-JUAGQRJUSA-N 0 0 410.882 5.443 50 30 HKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009327839 560758610 /nfs/dbraw/zinc/75/86/10/560758610.db2.gz ZSELOGCKSICGFW-UHFFFAOYSA-N 0 0 422.466 5.086 50 30 HKEARN CC(C)Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009328219 569392339 /nfs/dbraw/zinc/39/23/39/569392339.db2.gz RVUSENOHNXYYBJ-UHFFFAOYSA-N 0 0 410.930 5.101 50 30 HKEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000009328473 519149100 /nfs/dbraw/zinc/14/91/00/519149100.db2.gz VESZTFSVEDBSKK-UHFFFAOYSA-N 0 0 400.891 5.143 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1Cl ZINC000009329516 571248443 /nfs/dbraw/zinc/24/84/43/571248443.db2.gz GCQYWXBPDCIERQ-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl ZINC000009329517 571248398 /nfs/dbraw/zinc/24/83/98/571248398.db2.gz GCQYWXBPDCIERQ-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009329614 557837465 /nfs/dbraw/zinc/83/74/65/557837465.db2.gz WQAFTWHUGFIGNB-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009329643 521168211 /nfs/dbraw/zinc/16/82/11/521168211.db2.gz ARGQGLBWBZQVBB-HSZRJFAPSA-N 0 0 419.481 5.148 50 30 HKEARN N#CC(=NNc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000009329866 571248609 /nfs/dbraw/zinc/24/86/09/571248609.db2.gz PVBWDOIQAQGCDA-HAHDFKILSA-N 0 0 417.719 5.566 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009330010 571248585 /nfs/dbraw/zinc/24/85/85/571248585.db2.gz CJVIZWFXNDQNKE-FQEVSTJZSA-N 0 0 424.283 5.776 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000009331416 557837472 /nfs/dbraw/zinc/83/74/72/557837472.db2.gz AWLHREFJVMKRRI-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009331419 557837396 /nfs/dbraw/zinc/83/73/96/557837396.db2.gz AWLHREFJVMKRRI-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc2ccccc21 ZINC000009331872 557837444 /nfs/dbraw/zinc/83/74/44/557837444.db2.gz WQUKEDSYJYVLQR-QFIPXVFZSA-N 0 0 407.473 5.296 50 30 HKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc2ccccc21 ZINC000009331874 557837438 /nfs/dbraw/zinc/83/74/38/557837438.db2.gz WQUKEDSYJYVLQR-JOCHJYFZSA-N 0 0 407.473 5.296 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000009332110 571304347 /nfs/dbraw/zinc/30/43/47/571304347.db2.gz DFXNFEVVHGCMEE-QQXSKIMKSA-N 0 0 403.938 6.967 50 30 HKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000009332185 559073693 /nfs/dbraw/zinc/07/36/93/559073693.db2.gz HZNLRSGGKJDWLT-OEAKJJBVSA-N 0 0 406.898 5.562 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 ZINC000009332608 557837651 /nfs/dbraw/zinc/83/76/51/557837651.db2.gz BIEQCWPWIXUXRE-NRFANRHFSA-N 0 0 424.569 7.023 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 ZINC000009332609 525987028 /nfs/dbraw/zinc/98/70/28/525987028.db2.gz BIEQCWPWIXUXRE-OAQYLSRUSA-N 0 0 424.569 7.023 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009334241 571248708 /nfs/dbraw/zinc/24/87/08/571248708.db2.gz ZXGQZJCKDHMRLI-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009334243 571248779 /nfs/dbraw/zinc/24/87/79/571248779.db2.gz ZXGQZJCKDHMRLI-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN COc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3Cl)C(=O)C2)cc1OC ZINC000009335041 523882184 /nfs/dbraw/zinc/88/21/84/523882184.db2.gz ANRKMXQFGBFICR-UHFFFAOYSA-N 0 0 420.292 5.022 50 30 HKEARN O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)c1ccc(Cl)cc1 ZINC000009340563 571249762 /nfs/dbraw/zinc/24/97/62/571249762.db2.gz AOWNTRIRYLJZKO-JJFYIABZSA-N 0 0 408.812 5.357 50 30 HKEARN CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000009341388 521448772 /nfs/dbraw/zinc/44/87/72/521448772.db2.gz YLRCXSNOHXHXRZ-SMDHAYCWSA-N 0 0 412.441 5.320 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 ZINC000009345963 571250174 /nfs/dbraw/zinc/25/01/74/571250174.db2.gz MRCRNVIAEHVJCP-JAIQZWGSSA-N 0 0 412.775 5.454 50 30 HKEARN COc1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000009350463 571250609 /nfs/dbraw/zinc/25/06/09/571250609.db2.gz KGYUJRHYUOTWGL-YDZHTSKRSA-N 0 0 422.282 5.712 50 30 HKEARN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3c3ccccc32)ccc1Br ZINC000009353187 571250700 /nfs/dbraw/zinc/25/07/00/571250700.db2.gz ORGNAAHSYOFZIO-WSDLNYQXSA-N 0 0 421.254 5.505 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000009353331 571250724 /nfs/dbraw/zinc/25/07/24/571250724.db2.gz WEFXEAZNHPRZQZ-UHFFFAOYSA-N 0 0 414.515 5.480 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000009353625 557838505 /nfs/dbraw/zinc/83/85/05/557838505.db2.gz AIRWCCOGNCZUER-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000009353626 557838545 /nfs/dbraw/zinc/83/85/45/557838545.db2.gz AIRWCCOGNCZUER-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(/C=C/c1ccccc1F)c1cc(Br)ccc1OC(=O)c1ccco1 ZINC000009356945 571251339 /nfs/dbraw/zinc/25/13/39/571251339.db2.gz UCSUEHRMUXOBPP-VQHVLOKHSA-N 0 0 415.214 5.297 50 30 HKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000009357017 559073883 /nfs/dbraw/zinc/07/38/83/559073883.db2.gz JFAIDFBYTNBWTH-ZVHZXABRSA-N 0 0 420.925 5.348 50 30 HKEARN O=C(/C=C/c1cccs1)c1cc(Br)ccc1OC(=O)c1cccs1 ZINC000009357164 527641568 /nfs/dbraw/zinc/64/15/68/527641568.db2.gz LDLXFGBPOSPADB-VOTSOKGWSA-N 0 0 419.321 5.687 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009357981 571251253 /nfs/dbraw/zinc/25/12/53/571251253.db2.gz WFGKCOQIHVVGHA-IZNZCJHFSA-N 0 0 421.953 5.737 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccccc2F)cc1OC ZINC000009359488 571251483 /nfs/dbraw/zinc/25/14/83/571251483.db2.gz KOZIJMUPIIUHLB-JXMROGBWSA-N 0 0 424.399 5.097 50 30 HKEARN S=C1N=NC(c2ccccc2Br)N1N=CC(Cl)=Cc1ccccc1 ZINC000009359494 571251362 /nfs/dbraw/zinc/25/13/62/571251362.db2.gz HAKZMRHGSWHRFI-WUBIALHOSA-N 0 0 419.735 5.110 50 30 HKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 ZINC000009361354 568415591 /nfs/dbraw/zinc/41/55/91/568415591.db2.gz DAVGTTCBPUSWRB-OWJWWREXSA-N 0 0 416.452 5.485 50 30 HKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 ZINC000009361356 526210179 /nfs/dbraw/zinc/21/01/79/526210179.db2.gz DAVGTTCBPUSWRB-MYYSRTQBSA-N 0 0 416.452 5.485 50 30 HKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000009361361 568415596 /nfs/dbraw/zinc/41/55/96/568415596.db2.gz DAVGTTCBPUSWRB-OYLFLEFRSA-N 0 0 416.452 5.485 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009363571 568415619 /nfs/dbraw/zinc/41/56/19/568415619.db2.gz SKBKDVYAAOUTAL-HSZRJFAPSA-N 0 0 405.538 5.969 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009363572 568415634 /nfs/dbraw/zinc/41/56/34/568415634.db2.gz SKBKDVYAAOUTAL-QHCPKHFHSA-N 0 0 405.538 5.969 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1Cl ZINC000009363772 571251677 /nfs/dbraw/zinc/25/16/77/571251677.db2.gz AWNVJFQYJKAURB-SDNWHVSQSA-N 0 0 418.323 7.413 50 30 HKEARN COc1cc(OC)cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c1 ZINC000009366975 522841506 /nfs/dbraw/zinc/84/15/06/522841506.db2.gz SNQCEHCWKUJRDS-BKUYFWCQSA-N 0 0 423.472 5.485 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000009370473 571252544 /nfs/dbraw/zinc/25/25/44/571252544.db2.gz UKOTXBXCAZCXER-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000009370475 571252509 /nfs/dbraw/zinc/25/25/09/571252509.db2.gz UKOTXBXCAZCXER-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009370535 571252558 /nfs/dbraw/zinc/25/25/58/571252558.db2.gz ONSPHDFJOAUURK-HXUWFJFHSA-N 0 0 424.283 5.776 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009370536 571252589 /nfs/dbraw/zinc/25/25/89/571252589.db2.gz ONSPHDFJOAUURK-FQEVSTJZSA-N 0 0 424.283 5.776 50 30 HKEARN Cc1cc(C)nc(N=C(NC(=S)Nc2ccccc2)Nc2ccc(C)c(Cl)c2)n1 ZINC000009371057 557840793 /nfs/dbraw/zinc/84/07/93/557840793.db2.gz MTLBOUOBISMZLT-UHFFFAOYSA-N 0 0 424.961 5.553 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009374009 557841065 /nfs/dbraw/zinc/84/10/65/557841065.db2.gz WQAFTWHUGFIGNB-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009374359 571252721 /nfs/dbraw/zinc/25/27/21/571252721.db2.gz CJVIZWFXNDQNKE-HXUWFJFHSA-N 0 0 424.283 5.776 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000009374720 520257764 /nfs/dbraw/zinc/25/77/64/520257764.db2.gz FUYBZKHTRBRBOY-IBGZPJMESA-N 0 0 423.434 6.218 50 30 HKEARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccc(C#N)c3)c12 ZINC000009377917 571253164 /nfs/dbraw/zinc/25/31/64/571253164.db2.gz IPUGGMUYVVJTPP-UHFFFAOYSA-N 0 0 422.366 5.341 50 30 HKEARN C[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000009379850 571253561 /nfs/dbraw/zinc/25/35/61/571253561.db2.gz JUTYACOWFIRTEB-PIAOKATPSA-N 0 0 423.541 5.847 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009379949 571253748 /nfs/dbraw/zinc/25/37/48/571253748.db2.gz LTZUAHOVGZYDKS-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009380297 571253724 /nfs/dbraw/zinc/25/37/24/571253724.db2.gz OHKKZBWEDDIXQW-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009380493 571253644 /nfs/dbraw/zinc/25/36/44/571253644.db2.gz LTZUAHOVGZYDKS-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009380618 571253689 /nfs/dbraw/zinc/25/36/89/571253689.db2.gz OHKKZBWEDDIXQW-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN N#Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1Cl ZINC000009390544 571254448 /nfs/dbraw/zinc/25/44/48/571254448.db2.gz WMXMBWKCOMZZML-UHFFFAOYSA-N 0 0 423.252 5.014 50 30 HKEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)s2)sc1Cc1ccc2c(c1)OCO2 ZINC000009390680 571254470 /nfs/dbraw/zinc/25/44/70/571254470.db2.gz SLKAYNKVMWGGED-UHFFFAOYSA-N 0 0 416.911 5.215 50 30 HKEARN COc1cc(C#N)ccc1OCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C ZINC000009395349 571254669 /nfs/dbraw/zinc/25/46/69/571254669.db2.gz JCUHPHBGYRPUHF-UHFFFAOYSA-N 0 0 415.493 5.131 50 30 HKEARN C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009396361 571254665 /nfs/dbraw/zinc/25/46/65/571254665.db2.gz CIGVFQFTQXLVOA-KRWDZBQOSA-N 0 0 421.545 5.117 50 30 HKEARN C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009396362 571254634 /nfs/dbraw/zinc/25/46/34/571254634.db2.gz CIGVFQFTQXLVOA-QGZVFWFLSA-N 0 0 421.545 5.117 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000009402972 571255050 /nfs/dbraw/zinc/25/50/50/571255050.db2.gz GEWQIIGWLUSBCQ-UHFFFAOYSA-N 0 0 413.216 6.230 50 30 HKEARN COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000009404272 571255186 /nfs/dbraw/zinc/25/51/86/571255186.db2.gz SYXSQXFUFGEOHA-RAXLEYEMSA-N 0 0 424.572 5.495 50 30 HKEARN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000009404400 571255226 /nfs/dbraw/zinc/25/52/26/571255226.db2.gz AGDMTWUTBMHOBF-MFKUBSTISA-N 0 0 417.372 5.077 50 30 HKEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009419175 520517567 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/nfs/dbraw/zinc/39/27/36/569392736.db2.gz JMKTWIZMNNRYNJ-GDLZYMKVSA-N 0 0 422.575 5.157 50 30 HKEARN COC(=O)CSc1nc2c(c(-c3ccsc3)c1C#N)CC/C2=C\c1ccccc1 ZINC000009434270 571258722 /nfs/dbraw/zinc/25/87/22/571258722.db2.gz MHEQGAVLXWPTGB-LFIBNONCSA-N 0 0 418.543 5.434 50 30 HKEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccccc2Cl)C1=O ZINC000009434414 520534113 /nfs/dbraw/zinc/53/41/13/520534113.db2.gz CEMJCHYYKZPYOZ-WJDWOHSUSA-N 0 0 403.862 5.023 50 30 HKEARN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000009434677 524697245 /nfs/dbraw/zinc/69/72/45/524697245.db2.gz GCSMEGJPGBOFPM-CCEZHUSRSA-N 0 0 424.294 6.059 50 30 HKEARN CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC ZINC000009434969 520854279 /nfs/dbraw/zinc/85/42/79/520854279.db2.gz SBEBFYCAJACXPG-WSDLNYQXSA-N 0 0 401.919 5.707 50 30 HKEARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccccc2Cl)n1 ZINC000009435870 571258899 /nfs/dbraw/zinc/25/88/99/571258899.db2.gz OCRXMMJREZSVPD-YSURURNPSA-N 0 0 411.214 5.915 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000009446026 571259440 /nfs/dbraw/zinc/25/94/40/571259440.db2.gz LCTAHPLEMDIDLD-NTEUORMPSA-N 0 0 418.323 7.413 50 30 HKEARN O=C(/C=C/c1ccccc1Cl)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000009446310 557843381 /nfs/dbraw/zinc/84/33/81/557843381.db2.gz CLLHXWPLNUTOQA-JLHYYAGUSA-N 0 0 420.295 6.398 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000009448713 519217031 /nfs/dbraw/zinc/21/70/31/519217031.db2.gz YLMUENLGIWNELR-UHFFFAOYSA-N 0 0 419.337 5.169 50 30 HKEARN N#Cc1cccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1 ZINC000009461548 571260630 /nfs/dbraw/zinc/26/06/30/571260630.db2.gz NTCGNTZADBLPLD-UHFFFAOYSA-N 0 0 424.485 5.186 50 30 HKEARN N#CCCn1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc21 ZINC000009469505 571261551 /nfs/dbraw/zinc/26/15/51/571261551.db2.gz QHJRCKZFYDDWEO-UHFFFAOYSA-N 0 0 423.472 5.069 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009477062 571261612 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COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009482822 523186573 /nfs/dbraw/zinc/18/65/73/523186573.db2.gz VLHOWNFSBZMAEG-QHCPKHFHSA-N 0 0 424.928 5.129 50 30 HKEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000009482826 557844018 /nfs/dbraw/zinc/84/40/18/557844018.db2.gz VLHOWNFSBZMAEG-HSZRJFAPSA-N 0 0 424.928 5.129 50 30 HKEARN C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl ZINC000009483235 557843998 /nfs/dbraw/zinc/84/39/98/557843998.db2.gz XCOWJGPHCQKVJQ-OAHLLOKOSA-N 0 0 423.944 5.242 50 30 HKEARN C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl ZINC000009483236 557844009 /nfs/dbraw/zinc/84/40/09/557844009.db2.gz XCOWJGPHCQKVJQ-HNNXBMFYSA-N 0 0 423.944 5.242 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000009484284 557844324 /nfs/dbraw/zinc/84/43/24/557844324.db2.gz MHAAGPXGDFZURR-BXKMTCNYSA-N 0 0 424.460 5.079 50 30 HKEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000009484288 557844248 /nfs/dbraw/zinc/84/42/48/557844248.db2.gz MHAAGPXGDFZURR-XDHUDOTRSA-N 0 0 424.460 5.079 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000009484291 527032428 /nfs/dbraw/zinc/03/24/28/527032428.db2.gz MHAAGPXGDFZURR-MZNJEOGPSA-N 0 0 424.460 5.079 50 30 HKEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000009484293 527032993 /nfs/dbraw/zinc/03/29/93/527032993.db2.gz MHAAGPXGDFZURR-OSPHWJPCSA-N 0 0 424.460 5.079 50 30 HKEARN O=C1c2ccc([O-])c(C[NH+]3CCCCCC3)c2O/C1=C\c1c(F)cccc1Cl ZINC000009484833 571262250 /nfs/dbraw/zinc/26/22/50/571262250.db2.gz XGFCVJGPZUSIRA-NDENLUEZSA-N 0 0 401.865 5.177 50 30 HKEARN CCOc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 ZINC000009485716 571262242 /nfs/dbraw/zinc/26/22/42/571262242.db2.gz SSEGTOYNWOVBHS-CYVLTUHYSA-N 0 0 414.417 5.558 50 30 HKEARN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 ZINC000009485773 571262302 /nfs/dbraw/zinc/26/23/02/571262302.db2.gz 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ZINC000009499368 568986588 /nfs/dbraw/zinc/98/65/88/568986588.db2.gz ZYDDTAAOADEPFE-UHFFFAOYSA-N 0 0 419.337 5.169 50 30 HKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000009499717 568986735 /nfs/dbraw/zinc/98/67/35/568986735.db2.gz TVCKMFOGVQQEAI-UHFFFAOYSA-N 0 0 420.365 5.951 50 30 HKEARN N#Cc1ccc(NC(=O)CSc2cccc3cccc(Cl)c32)c(C(F)(F)F)c1 ZINC000009501073 571263455 /nfs/dbraw/zinc/26/34/55/571263455.db2.gz JZGOULHRPWXJIX-UHFFFAOYSA-N 0 0 420.843 6.114 50 30 HKEARN COc1ccc2cc(CN=Nc3ncnc4sc5c(c43)CCCC5)c(Cl)nc2c1 ZINC000009501502 571263412 /nfs/dbraw/zinc/26/34/12/571263412.db2.gz KWCWKOSAFYLWFB-KIBLKLHPSA-N 0 0 423.929 5.226 50 30 HKEARN Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c(Cl)c1 ZINC000009508779 571263966 /nfs/dbraw/zinc/26/39/66/571263966.db2.gz ZCWYQEZXABOXAT-UHFFFAOYSA-N 0 0 420.925 5.360 50 30 HKEARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)s2)cs1 ZINC000009512617 571264269 /nfs/dbraw/zinc/26/42/69/571264269.db2.gz FXIJXGRBCWNPBI-UHFFFAOYSA-N 0 0 415.543 5.649 50 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ZINC000009547077 571267819 /nfs/dbraw/zinc/26/78/19/571267819.db2.gz QKGQMWRBHCFEFF-UUYOSTAYSA-N 0 0 420.848 5.078 50 30 HKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000009547288 571267744 /nfs/dbraw/zinc/26/77/44/571267744.db2.gz VLENUEZRBPUGFF-PXVUUWQASA-N 0 0 423.295 6.702 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000009547491 526064510 /nfs/dbraw/zinc/06/45/10/526064510.db2.gz YWBCUJMUQALNIB-OPAMFIHVSA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000009547493 571267739 /nfs/dbraw/zinc/26/77/39/571267739.db2.gz YWBCUJMUQALNIB-ZHRRBRCNSA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000009547494 571267741 /nfs/dbraw/zinc/26/77/41/571267741.db2.gz YWBCUJMUQALNIB-KSFYIVLOSA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000009547496 571267746 /nfs/dbraw/zinc/26/77/46/571267746.db2.gz YWBCUJMUQALNIB-AOMKIAJQSA-N 0 0 418.518 5.369 50 30 HKEARN COc1cccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1 ZINC000009553525 557845531 /nfs/dbraw/zinc/84/55/31/557845531.db2.gz SSFAXHSCFBBTRM-AREMUKBSSA-N 0 0 424.500 5.512 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2c(Cl)cccc2Cl)C1=O ZINC000009553945 571268294 /nfs/dbraw/zinc/26/82/94/571268294.db2.gz SULOTLHBTHAVHK-WJDWOHSUSA-N 0 0 420.317 5.537 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560025 557845657 /nfs/dbraw/zinc/84/56/57/557845657.db2.gz AQQIKEGXIRZDSG-OCCSQVGLSA-N 0 0 420.723 5.651 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560026 557845650 /nfs/dbraw/zinc/84/56/50/557845650.db2.gz AQQIKEGXIRZDSG-JSGCOSHPSA-N 0 0 420.723 5.651 50 30 HKEARN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560027 557845748 /nfs/dbraw/zinc/84/57/48/557845748.db2.gz AQQIKEGXIRZDSG-TZMCWYRMSA-N 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C=CCN(CC=C)C(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000009575286 568986878 /nfs/dbraw/zinc/98/68/78/568986878.db2.gz OXLHNDZKVFIZOP-UHFFFAOYSA-N 0 0 423.896 5.001 50 30 HKEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@H+](C)Cc2ccccc2)C1=O ZINC000009575325 571269581 /nfs/dbraw/zinc/26/95/81/571269581.db2.gz RPGXWUYYCREGBW-IWIPYMOSSA-N 0 0 415.489 5.039 50 30 HKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1c(Cl)cccc1Cl ZINC000009575648 571269614 /nfs/dbraw/zinc/26/96/14/571269614.db2.gz HDRQTSVOZUTCBW-BUQBTZPGSA-N 0 0 423.295 6.702 50 30 HKEARN COc1ccc(C(=O)/C(=C/C=C/c2ccccc2)c2nc3ccccc3o2)cc1OC ZINC000009575786 571269613 /nfs/dbraw/zinc/26/96/13/571269613.db2.gz ZCHLXVKYOLAKLR-HGZPKWKRSA-N 0 0 411.457 5.825 50 30 HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c1 ZINC000009576669 524800618 /nfs/dbraw/zinc/80/06/18/524800618.db2.gz RYISJYDYLSSRCK-VSCIQPPNSA-N 0 0 414.457 5.412 50 30 HKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000009576939 519013620 /nfs/dbraw/zinc/01/36/20/519013620.db2.gz FQLDBTYLAYXQED-NIHGSWJFSA-N 0 0 410.513 6.693 50 30 HKEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000009579061 571270145 /nfs/dbraw/zinc/27/01/45/571270145.db2.gz KXMGVFVJPNYJQG-AWEZNQCLSA-N 0 0 424.957 5.028 50 30 HKEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000009579062 571270166 /nfs/dbraw/zinc/27/01/66/571270166.db2.gz KXMGVFVJPNYJQG-CQSZACIVSA-N 0 0 424.957 5.028 50 30 HKEARN O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)cc1 ZINC000009581644 557846223 /nfs/dbraw/zinc/84/62/23/557846223.db2.gz XPBZXMKMHXVCJJ-LFYBBSHMSA-N 0 0 412.308 5.659 50 30 HKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2ccc3ccccc3c2)c1C#N ZINC000009583396 571271122 /nfs/dbraw/zinc/27/11/22/571271122.db2.gz QWEXRIDQAAKHSX-UHFFFAOYSA-N 0 0 415.518 5.502 50 30 HKEARN C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nc2ccccc2c1=O ZINC000009588139 571271501 /nfs/dbraw/zinc/27/15/01/571271501.db2.gz DUGZBWAFQCYTSW-UHFFFAOYSA-N 0 0 421.547 5.007 50 30 HKEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 ZINC000009592322 571272001 /nfs/dbraw/zinc/27/20/01/571272001.db2.gz FRCHLXISDBWQJX-UHFFFAOYSA-N 0 0 420.494 5.100 50 30 HKEARN N#Cc1c(SCc2ccccc2Cl)nc2c(c1C(F)(F)F)CCc1occc1-2 ZINC000009595531 571272308 /nfs/dbraw/zinc/27/23/08/571272308.db2.gz HNMRQQSGAXVDDM-UHFFFAOYSA-N 0 0 420.843 6.276 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)sc2C1 ZINC000009596162 571272391 /nfs/dbraw/zinc/27/23/91/571272391.db2.gz XGNREDOUUDQPJD-GFCCVEGCSA-N 0 0 411.527 5.188 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)sc2C1 ZINC000009596164 571272421 /nfs/dbraw/zinc/27/24/21/571272421.db2.gz XGNREDOUUDQPJD-LBPRGKRZSA-N 0 0 411.527 5.188 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1ccccc1Cl ZINC000009597383 520260685 /nfs/dbraw/zinc/26/06/85/520260685.db2.gz LANJVUKWSKLKHP-IBGZPJMESA-N 0 0 403.913 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1ccccc1Cl ZINC000009597384 571272539 /nfs/dbraw/zinc/27/25/39/571272539.db2.gz LANJVUKWSKLKHP-LJQANCHMSA-N 0 0 403.913 5.931 50 30 HKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(F)c3)nn21 ZINC000009597385 571272465 /nfs/dbraw/zinc/27/24/65/571272465.db2.gz ZQLSRDQSTARRBM-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(F)c3)nn21 ZINC000009597386 571272453 /nfs/dbraw/zinc/27/24/53/571272453.db2.gz ZQLSRDQSTARRBM-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(F)cc3)nn21 ZINC000009597397 571272503 /nfs/dbraw/zinc/27/25/03/571272503.db2.gz GBVBAJXRGGLMMF-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(F)cc3)nn21 ZINC000009597398 525433900 /nfs/dbraw/zinc/43/39/00/525433900.db2.gz GBVBAJXRGGLMMF-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(F)cc4)nn32)cc1 ZINC000009597405 525791726 /nfs/dbraw/zinc/79/17/26/525791726.db2.gz PKYIPWSILZLEFR-OAQYLSRUSA-N 0 0 420.513 5.040 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(F)cc4)nn32)cc1 ZINC000009597406 571272497 /nfs/dbraw/zinc/27/24/97/571272497.db2.gz PKYIPWSILZLEFR-NRFANRHFSA-N 0 0 420.513 5.040 50 30 HKEARN CCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2 ZINC000009597534 571272513 /nfs/dbraw/zinc/27/25/13/571272513.db2.gz HVFIQVYXPOZRNR-GOSISDBHSA-N 0 0 416.978 5.482 50 30 HKEARN CCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2 ZINC000009597535 571272532 /nfs/dbraw/zinc/27/25/32/571272532.db2.gz HVFIQVYXPOZRNR-SFHVURJKSA-N 0 0 416.978 5.482 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)c(Cl)c3)on1)CCCC2 ZINC000009597890 569393676 /nfs/dbraw/zinc/39/36/76/569393676.db2.gz WPZGIPARXAOAQX-UHFFFAOYSA-N 0 0 418.305 5.713 50 30 HKEARN C=CCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccc(Br)cc1-2 ZINC000009601912 568986979 /nfs/dbraw/zinc/98/69/79/568986979.db2.gz GZLOOWYALFKWRM-UHFFFAOYSA-N 0 0 419.348 5.044 50 30 biogenic HKEARN N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000009613336 571273889 /nfs/dbraw/zinc/27/38/89/571273889.db2.gz HZROZQVLTXFPDI-UHFFFAOYSA-N 0 0 424.934 6.564 50 30 HKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C#Cc1ccccc1 ZINC000009614385 525443747 /nfs/dbraw/zinc/44/37/47/525443747.db2.gz XZOIWKTXKTXJKM-NRFANRHFSA-N 0 0 419.311 5.948 50 30 HKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C#Cc1ccccc1 ZINC000009614386 557846976 /nfs/dbraw/zinc/84/69/76/557846976.db2.gz XZOIWKTXKTXJKM-OAQYLSRUSA-N 0 0 419.311 5.948 50 30 HKEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000009631151 571274618 /nfs/dbraw/zinc/27/46/18/571274618.db2.gz RUFCDEOQWGOUPO-CYBMUJFWSA-N 0 0 414.515 5.402 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl ZINC000009633130 571274999 /nfs/dbraw/zinc/27/49/99/571274999.db2.gz OSGRWSDHFDFJJH-UHFFFAOYSA-N 0 0 422.893 5.158 50 30 HKEARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4sccc4C#N)c23)cc1 ZINC000009643179 571276040 /nfs/dbraw/zinc/27/60/40/571276040.db2.gz VCZFUISHXXESRK-UHFFFAOYSA-N 0 0 422.560 5.331 50 30 HKEARN COc1cccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1 ZINC000009646806 571276539 /nfs/dbraw/zinc/27/65/39/571276539.db2.gz QBLLWMQZCQLIEP-HNNXBMFYSA-N 0 0 423.929 5.132 50 30 HKEARN COc1cccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1 ZINC000009646808 571276525 /nfs/dbraw/zinc/27/65/25/571276525.db2.gz QBLLWMQZCQLIEP-OAHLLOKOSA-N 0 0 423.929 5.132 50 30 HKEARN C=CCn1c2ccccc2c2nnc(SCn3c4ccccc4sc3=S)nc21 ZINC000009667821 568987215 /nfs/dbraw/zinc/98/72/15/568987215.db2.gz ABRVQIWVHZTKBE-UHFFFAOYSA-N 0 0 421.576 5.661 50 30 HKEARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1 ZINC000009668985 569393692 /nfs/dbraw/zinc/39/36/92/569393692.db2.gz RGTWQGLMUNTNAW-UHFFFAOYSA-N 0 0 410.502 5.089 50 30 HKEARN C=CCOc1ccc2c(c1)oc(C(=O)N1CC(=O)Nc3ccccc31)c2-c1ccccc1 ZINC000009669522 571278435 /nfs/dbraw/zinc/27/84/35/571278435.db2.gz SOXBHWJTVHJNEP-UHFFFAOYSA-N 0 0 424.456 5.264 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S ZINC000009678959 518825966 /nfs/dbraw/zinc/82/59/66/518825966.db2.gz CIIMKPUPIIYQPJ-WQRHYEAKSA-N 0 0 419.930 5.445 50 30 HKEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009699180 569393896 /nfs/dbraw/zinc/39/38/96/569393896.db2.gz WOSPZNNFEHIQSK-UHFFFAOYSA-N 0 0 417.321 5.118 50 30 HKEARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C#N)cc1 ZINC000009699194 569393934 /nfs/dbraw/zinc/39/39/34/569393934.db2.gz WLWNUYUOGNHTMJ-UHFFFAOYSA-N 0 0 424.957 5.025 50 30 HKEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C#N)c2n1 ZINC000009704446 571280627 /nfs/dbraw/zinc/28/06/27/571280627.db2.gz WAUBVOFHTRGHLX-UHFFFAOYSA-N 0 0 420.683 5.393 50 30 HKEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000009713909 557219037 /nfs/dbraw/zinc/21/90/37/557219037.db2.gz SAXBRWHZZPRYAQ-LBPRGKRZSA-N 0 0 419.884 5.426 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000009713911 571281501 /nfs/dbraw/zinc/28/15/01/571281501.db2.gz SAXBRWHZZPRYAQ-GFCCVEGCSA-N 0 0 419.884 5.426 50 30 HKEARN O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000009720867 571281845 /nfs/dbraw/zinc/28/18/45/571281845.db2.gz MQPOZVHOZMNSBU-NJMAKWBESA-N 0 0 406.894 5.854 50 30 HKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1O ZINC000009730554 557849169 /nfs/dbraw/zinc/84/91/69/557849169.db2.gz ULUNMGMQWCOKPQ-KEBDBYFISA-N 0 0 418.316 5.123 50 30 HKEARN N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000009730801 571282907 /nfs/dbraw/zinc/28/29/07/571282907.db2.gz MOTJYGMXRCRPNJ-UHFFFAOYSA-N 0 0 415.305 5.053 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4cccc(Cl)c4)nn3[C@H]2c2ccc(F)cc2)C1 ZINC000009731818 571282902 /nfs/dbraw/zinc/28/29/02/571282902.db2.gz UCJBHKJCTVNEAB-FQEVSTJZSA-N 0 0 422.891 5.396 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4cccc(Cl)c4)nn3[C@@H]2c2ccc(F)cc2)C1 ZINC000009731819 571282912 /nfs/dbraw/zinc/28/29/12/571282912.db2.gz UCJBHKJCTVNEAB-HXUWFJFHSA-N 0 0 422.891 5.396 50 30 HKEARN N#Cc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4s3)n2)cc1 ZINC000009747254 571284086 /nfs/dbraw/zinc/28/40/86/571284086.db2.gz JOGUSXTUZOHHLU-UHFFFAOYSA-N 0 0 404.520 5.253 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2Br)nnc1-c1ccoc1C ZINC000009756293 569251007 /nfs/dbraw/zinc/25/10/07/569251007.db2.gz PIRKHDSOMQSORN-UHFFFAOYSA-N 0 0 408.296 5.226 50 30 HKEARN N#Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 ZINC000009762147 569393981 /nfs/dbraw/zinc/39/39/81/569393981.db2.gz KIUCVACQGHOPOK-UHFFFAOYSA-N 0 0 417.317 6.318 50 30 HKEARN Brc1ccc(COc2cccc(C=NNc3nc4ccccc4[nH]3)c2)cc1 ZINC000009763699 557849552 /nfs/dbraw/zinc/84/95/52/557849552.db2.gz AVAAFPXUXFMFJI-YDZHTSKRSA-N 0 0 421.298 5.350 50 30 HKEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009779685 571285154 /nfs/dbraw/zinc/28/51/54/571285154.db2.gz VQLLPGBRBYXYAN-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009779688 571285168 /nfs/dbraw/zinc/28/51/68/571285168.db2.gz VQLLPGBRBYXYAN-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000009779693 571285133 /nfs/dbraw/zinc/28/51/33/571285133.db2.gz IZJTUKNJEUIMFZ-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000009779697 571285163 /nfs/dbraw/zinc/28/51/63/571285163.db2.gz IZJTUKNJEUIMFZ-NRFANRHFSA-N 0 0 419.864 5.132 50 30 HKEARN C[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1sccc1C#N ZINC000009779723 571285117 /nfs/dbraw/zinc/28/51/17/571285117.db2.gz CSIPBHFGECVWIV-LBPRGKRZSA-N 0 0 422.560 5.411 50 30 HKEARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1sccc1C#N ZINC000009779725 571285136 /nfs/dbraw/zinc/28/51/36/571285136.db2.gz CSIPBHFGECVWIV-GFCCVEGCSA-N 0 0 422.560 5.411 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(F)cc2)CCC3)c(OC)c1 ZINC000009805451 524622232 /nfs/dbraw/zinc/62/22/32/524622232.db2.gz MJSDYIYILZUEGN-DHRITJCHSA-N 0 0 424.497 5.396 50 30 HKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009805606 571285855 /nfs/dbraw/zinc/28/58/55/571285855.db2.gz LNTSNIRFVZSIQK-UHFFFAOYSA-N 0 0 421.309 5.638 50 30 HKEARN C=C(C)COc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000009824047 568987512 /nfs/dbraw/zinc/98/75/12/568987512.db2.gz WFUZQFPMWSASPP-UHFFFAOYSA-N 0 0 410.695 5.075 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009833613 571287463 /nfs/dbraw/zinc/28/74/63/571287463.db2.gz USLJUNMMECFTMT-UHFFFAOYSA-N 0 0 421.309 5.638 50 30 HKEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000009833733 571287545 /nfs/dbraw/zinc/28/75/45/571287545.db2.gz PFUCPXLJHDWIFZ-QFIPXVFZSA-N 0 0 408.530 5.741 50 30 HKEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000009833736 571287464 /nfs/dbraw/zinc/28/74/64/571287464.db2.gz PFUCPXLJHDWIFZ-JOCHJYFZSA-N 0 0 408.530 5.741 50 30 HKEARN Clc1cccc(Cl)c1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000009845865 571288106 /nfs/dbraw/zinc/28/81/06/571288106.db2.gz QCDOOUDZGASSMJ-AFUMVMLFSA-N 0 0 424.356 7.230 50 30 HKEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009861349 571288704 /nfs/dbraw/zinc/28/87/04/571288704.db2.gz HTBUVMLTUBEVTR-AREMUKBSSA-N 0 0 424.500 5.516 50 30 HKEARN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009861350 571288734 /nfs/dbraw/zinc/28/87/34/571288734.db2.gz HTBUVMLTUBEVTR-SANMLTNESA-N 0 0 424.500 5.516 50 30 HKEARN C=CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nc2ccccc21 ZINC000009864424 571288929 /nfs/dbraw/zinc/28/89/29/571288929.db2.gz NNZWIZAFLORHHZ-HNNXBMFYSA-N 0 0 422.579 5.144 50 30 HKEARN C=CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nc2ccccc21 ZINC000009864428 571288874 /nfs/dbraw/zinc/28/88/74/571288874.db2.gz NNZWIZAFLORHHZ-OAHLLOKOSA-N 0 0 422.579 5.144 50 30 HKEARN C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1ccoc1C ZINC000009872561 571289099 /nfs/dbraw/zinc/28/90/99/571289099.db2.gz IHLGHIMFCUORON-UHFFFAOYSA-N 0 0 408.296 5.226 50 30 HKEARN C=CCOc1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2Cl)cc1OC ZINC000009884148 569251662 /nfs/dbraw/zinc/25/16/62/569251662.db2.gz YCEZOLFZMHVLDQ-HXUWFJFHSA-N 0 0 424.349 5.341 50 30 HKEARN C=CCOc1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2Cl)cc1OC ZINC000009884150 569251614 /nfs/dbraw/zinc/25/16/14/569251614.db2.gz YCEZOLFZMHVLDQ-FQEVSTJZSA-N 0 0 424.349 5.341 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000009905633 527043883 /nfs/dbraw/zinc/04/38/83/527043883.db2.gz ZEXUZNDWGNJKCB-LDADJPATSA-N 0 0 414.408 5.857 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(F)c2)CCC3)c(OC)c1 ZINC000009907616 524623009 /nfs/dbraw/zinc/62/30/09/524623009.db2.gz LOAMFPXOPYZGFD-DHRITJCHSA-N 0 0 424.497 5.396 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2cccs2)sc2c1CCCCC2 ZINC000009907648 571290032 /nfs/dbraw/zinc/29/00/32/571290032.db2.gz BVAPOZRVXKBNLJ-BUVRLJJBSA-N 0 0 424.591 6.480 50 30 HKEARN Fc1ccc(COc2ccccc2CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000009925837 557851424 /nfs/dbraw/zinc/85/14/24/557851424.db2.gz RUGWGRQVMFUIHF-AFUMVMLFSA-N 0 0 403.482 5.974 50 30 HKEARN Cc1ccc(-c2csc(N=NCc3ccccc3OCc3ccc(F)cc3)n2)cc1 ZINC000009925856 557851420 /nfs/dbraw/zinc/85/14/20/557851420.db2.gz GGPZYMHVSJAEPO-VULFUBBASA-N 0 0 417.509 6.283 50 30 HKEARN COc1cc(Br)cc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1O ZINC000009934843 571290937 /nfs/dbraw/zinc/29/09/37/571290937.db2.gz QKIXCLDKQMCULU-FSJBWODESA-N 0 0 422.282 5.229 50 30 HKEARN CCOC(=O)c1c2ccc(/C=N/c3ccccc3)c(Cl)c2sc1NC(C)=O ZINC000009943155 571291171 /nfs/dbraw/zinc/29/11/71/571291171.db2.gz DCWSFKITBIKIQG-SSDVNMTOSA-N 0 0 400.887 5.440 50 30 HKEARN Cc1ccc(C#N)c(SCc2ccc(CSc3nc(C)ccc3C#N)cc2)n1 ZINC000009970841 571293315 /nfs/dbraw/zinc/29/33/15/571293315.db2.gz IFFADRBBSGAAEW-UHFFFAOYSA-N 0 0 402.548 5.421 50 30 HKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000009982707 526233847 /nfs/dbraw/zinc/23/38/47/526233847.db2.gz HQDVGGMYVPRVEV-FQEVSTJZSA-N 0 0 424.591 5.385 50 30 HKEARN CCS(=O)(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000009993051 571293908 /nfs/dbraw/zinc/29/39/08/571293908.db2.gz DWAIHGSCESRRNQ-UHFFFAOYSA-N 0 0 422.575 5.123 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@@](=O)Cc3ccccc3)n2)cc1 ZINC000009993071 569394849 /nfs/dbraw/zinc/39/48/49/569394849.db2.gz SQFHPNGZXMFXOD-WJOKGBTCSA-N 0 0 424.525 5.604 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@](=O)Cc3ccccc3)n2)cc1 ZINC000009993073 569394752 /nfs/dbraw/zinc/39/47/52/569394752.db2.gz SQFHPNGZXMFXOD-HKBQPEDESA-N 0 0 424.525 5.604 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1cccc(Cl)c1Cl ZINC000010007598 520272984 /nfs/dbraw/zinc/27/29/84/520272984.db2.gz QMUXNHIQWTVCDR-QHCPKHFHSA-N 0 0 423.343 6.851 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1cccc(Cl)c1Cl ZINC000010007599 571293962 /nfs/dbraw/zinc/29/39/62/571293962.db2.gz QMUXNHIQWTVCDR-HSZRJFAPSA-N 0 0 423.343 6.851 50 30 HKEARN O=C(CC#CCSc1nnc(-c2cccc3ccccc32)o1)c1ccc(Cl)cc1 ZINC000010034868 568987903 /nfs/dbraw/zinc/98/79/03/568987903.db2.gz ZPIPBJRNUIDDIG-UHFFFAOYSA-N 0 0 418.905 5.912 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000010035269 525791979 /nfs/dbraw/zinc/79/19/79/525791979.db2.gz HFYMINZIHCTHIH-OXJNMPFZSA-N 0 0 424.426 5.021 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000010035271 525987490 /nfs/dbraw/zinc/98/74/90/525987490.db2.gz HFYMINZIHCTHIH-JXFKEZNVSA-N 0 0 424.426 5.021 50 30 HKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000010035273 557854574 /nfs/dbraw/zinc/85/45/74/557854574.db2.gz HFYMINZIHCTHIH-OXQOHEQNSA-N 0 0 424.426 5.021 50 30 HKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000010035274 557854522 /nfs/dbraw/zinc/85/45/22/557854522.db2.gz HFYMINZIHCTHIH-UZLBHIALSA-N 0 0 424.426 5.021 50 30 HKEARN Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000010187696 571296173 /nfs/dbraw/zinc/29/61/73/571296173.db2.gz WOMMTRUYCGOIKT-UHFFFAOYSA-N 0 0 418.909 5.372 50 30 HKEARN Cc1c2nc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)sc2ccc1Cl ZINC000010187708 571296166 /nfs/dbraw/zinc/29/61/66/571296166.db2.gz LCYMFRPAOPLFSN-UHFFFAOYSA-N 0 0 418.909 5.372 50 30 HKEARN CC(C)c1nnc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1C1CC1 ZINC000010201055 569395314 /nfs/dbraw/zinc/39/53/14/569395314.db2.gz NZHZLXHHYXKNBM-NPRIEWAGSA-N 0 0 410.587 5.098 50 30 HKEARN CC(C)c1nnc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1C1CC1 ZINC000010201056 569395315 /nfs/dbraw/zinc/39/53/15/569395315.db2.gz NZHZLXHHYXKNBM-OOWUWCJESA-N 0 0 410.587 5.098 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000010214570 571297011 /nfs/dbraw/zinc/29/70/11/571297011.db2.gz BMRCRGKGCHEGQI-UHFFFAOYSA-N 0 0 413.527 6.085 50 30 HKEARN COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000010217976 569253612 /nfs/dbraw/zinc/25/36/12/569253612.db2.gz CRXWFXJKNBERNK-UHFFFAOYSA-N 0 0 409.536 5.201 50 30 HKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1cccc(C)c1 ZINC000010233847 571297750 /nfs/dbraw/zinc/29/77/50/571297750.db2.gz OIUCBTRWZBTRRJ-UHFFFAOYSA-N 0 0 414.534 5.269 50 30 HKEARN C=CCn1c2ccccc2nc1SCc1csc(-c2cccc(OC)c2OC)n1 ZINC000010237946 519268702 /nfs/dbraw/zinc/26/87/02/519268702.db2.gz BESFHFMGXKZCAL-UHFFFAOYSA-N 0 0 423.563 5.655 50 30 HKEARN N#Cc1ccc(C(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000010254307 569254192 /nfs/dbraw/zinc/25/41/92/569254192.db2.gz ZWPFQYBDKOQYGE-UHFFFAOYSA-N 0 0 404.882 5.063 50 30 HKEARN Cc1c2nc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)sc2ccc1Cl ZINC000010254359 569254208 /nfs/dbraw/zinc/25/42/08/569254208.db2.gz VEMXGUJMWBRIAZ-UHFFFAOYSA-N 0 0 418.909 5.372 50 30 HKEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(Br)o3)n2)c1C ZINC000010255409 569254073 /nfs/dbraw/zinc/25/40/73/569254073.db2.gz IIZZLCSSQNQGHG-UHFFFAOYSA-N 0 0 406.305 5.022 50 30 HKEARN C=CCn1c(C)cc(-c2csc(NC(=O)Cc3sc(=S)[nH]c3C)n2)c1C ZINC000010256626 571298642 /nfs/dbraw/zinc/29/86/42/571298642.db2.gz FBXMDTCHDABAQW-UHFFFAOYSA-N 0 0 404.586 5.023 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cc2ccccc2o1 ZINC000010675405 558343994 /nfs/dbraw/zinc/34/39/94/558343994.db2.gz TWLQYOWKTBRXTQ-UHFFFAOYSA-N 0 0 422.485 5.056 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1cc2ccccc2o1 ZINC000010681970 519212376 /nfs/dbraw/zinc/21/23/76/519212376.db2.gz UDFBTSVPLVDBIR-UHFFFAOYSA-N 0 0 422.485 5.056 50 30 HKEARN C[C@@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416247 559073906 /nfs/dbraw/zinc/07/39/06/559073906.db2.gz YAKKXWBGGAERBK-KRWDZBQOSA-N 0 0 421.545 5.117 50 30 HKEARN C[C@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416248 559073842 /nfs/dbraw/zinc/07/38/42/559073842.db2.gz YAKKXWBGGAERBK-QGZVFWFLSA-N 0 0 421.545 5.117 50 30 HKEARN C[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416315 559073868 /nfs/dbraw/zinc/07/38/68/559073868.db2.gz DLRIWRZCBPAKLP-KRWDZBQOSA-N 0 0 421.545 5.117 50 30 HKEARN C[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000011416316 559073889 /nfs/dbraw/zinc/07/38/89/559073889.db2.gz DLRIWRZCBPAKLP-QGZVFWFLSA-N 0 0 421.545 5.117 50 30 HKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1 ZINC000011565578 559110576 /nfs/dbraw/zinc/11/05/76/559110576.db2.gz SKEYVVCLOYWONJ-CSKARUKUSA-N 0 0 422.105 6.912 50 30 HKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1 ZINC000011565579 559110617 /nfs/dbraw/zinc/11/06/17/559110617.db2.gz DJIDOMXJZUYYNL-RMKNXTFCSA-N 0 0 422.105 6.912 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1 ZINC000011565580 559110607 /nfs/dbraw/zinc/11/06/07/559110607.db2.gz IXZHTEIQCQGHOT-RMKNXTFCSA-N 0 0 422.105 6.912 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Br)cc1 ZINC000011565581 559110772 /nfs/dbraw/zinc/11/07/72/559110772.db2.gz GFUHCXDRAKOACN-RMKNXTFCSA-N 0 0 422.105 6.912 50 30 HKEARN O=C(/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1)c1ccccc1 ZINC000011614205 527590813 /nfs/dbraw/zinc/59/08/13/527590813.db2.gz QNIMXEAXDRZZCI-NBVRZTHBSA-N 0 0 404.263 6.014 50 30 HKEARN O=C(/C(=C\c1ccc(Br)cc1)c1nc2ccccc2o1)c1ccccc1 ZINC000011614207 559114264 /nfs/dbraw/zinc/11/42/64/559114264.db2.gz UYIQPTKVJOCHOT-NBVRZTHBSA-N 0 0 404.263 6.014 50 30 HKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000011614464 559113771 /nfs/dbraw/zinc/11/37/71/559113771.db2.gz XSBZKRQJYYWIMO-ZYQGRCJCSA-N 0 0 411.457 6.172 50 30 HKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000011614468 559113730 /nfs/dbraw/zinc/11/37/30/559113730.db2.gz KJYGURHIQSQPII-WQZCLVPRSA-N 0 0 423.512 7.287 50 30 HKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccccc2OC)c2nc3ccccc3o2)cc1 ZINC000011614474 559113758 /nfs/dbraw/zinc/11/37/58/559113758.db2.gz VAGQMORVDMRPKR-UBZGOFDDSA-N 0 0 411.457 6.172 50 30 HKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2)c2nc3ccccc3o2)cc1 ZINC000011614475 559113781 /nfs/dbraw/zinc/11/37/81/559113781.db2.gz NVWBAWNWWHKMJX-KMPCDDRWSA-N 0 0 411.457 6.172 50 30 HKEARN O=C(/C=C/c1ccco1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000011617082 527640360 /nfs/dbraw/zinc/64/03/60/527640360.db2.gz QREHRPYUBWNHDV-PKNBQFBNSA-N 0 0 420.262 5.447 50 30 HKEARN COc1ccc(/C=C\C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000011617083 559115588 /nfs/dbraw/zinc/11/55/88/559115588.db2.gz LYXAWHFQYXQSKX-WCIBSUBMSA-N 0 0 415.533 5.746 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000011617427 559115697 /nfs/dbraw/zinc/11/56/97/559115697.db2.gz UNWSYFWLNSTAOH-YDZHTSKRSA-N 0 0 419.531 6.562 50 30 HKEARN Cc1ccc2nc(N=NCc3ccc(Br)cc3)nc(-c3ccccc3)c2c1 ZINC000011617456 526250885 /nfs/dbraw/zinc/25/08/85/526250885.db2.gz HHIIADJFVJBBRN-ZVHZXABRSA-N 0 0 417.310 5.814 50 30 HKEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000011650879 559119150 /nfs/dbraw/zinc/11/91/50/559119150.db2.gz QTQKEFFGENFNHQ-NSHDSACASA-N 0 0 407.326 5.043 50 30 HKEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000011650884 559119151 /nfs/dbraw/zinc/11/91/51/559119151.db2.gz QTQKEFFGENFNHQ-LLVKDONJSA-N 0 0 407.326 5.043 50 30 HKEARN CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F ZINC000011686704 560211396 /nfs/dbraw/zinc/21/13/96/560211396.db2.gz SJMMDWXJSSJHOQ-UHFFFAOYSA-N 0 0 407.395 5.185 50 30 in-vitro HKEARN O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C2CCCCC2)cc1 ZINC000011690109 559178275 /nfs/dbraw/zinc/17/82/75/559178275.db2.gz LEIKTCMMTAFVIF-JQIJEIRASA-N 0 0 413.542 7.500 50 30 HKEARN C=CCCC(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000011786704 568992300 /nfs/dbraw/zinc/99/23/00/568992300.db2.gz XTMPBLJRBYDMOD-UHFFFAOYSA-N 0 0 418.512 5.337 50 30 HKEARN N#CC(=NNc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000011852446 559262460 /nfs/dbraw/zinc/26/24/60/559262460.db2.gz KBVGALAGUZUZDG-HAHDFKILSA-N 0 0 417.719 5.566 50 30 HKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000011865055 569399110 /nfs/dbraw/zinc/39/91/10/569399110.db2.gz JUOIOUIVYCFMOZ-YUMHPJSZSA-N 0 0 422.455 6.688 50 30 HKEARN Cc1cc(C)cc(Nc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)c1 ZINC000011865075 524439127 /nfs/dbraw/zinc/43/91/27/524439127.db2.gz FFHROXDWEOQFHF-UUYOSTAYSA-N 0 0 420.306 6.426 50 30 HKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000011865110 559263519 /nfs/dbraw/zinc/26/35/19/559263519.db2.gz LWZJIAVLEMDFEL-MQKZQLNTSA-N 0 0 424.452 5.538 50 30 biogenic HKEARN Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)n1 ZINC000011865364 559263491 /nfs/dbraw/zinc/26/34/91/559263491.db2.gz RTVXIBVCYVSRDG-UHFFFAOYSA-N 0 0 414.486 5.341 50 30 HKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O ZINC000011866182 559264030 /nfs/dbraw/zinc/26/40/30/559264030.db2.gz XJCFVHQRPKCYFF-QYYYSUCBSA-N 0 0 422.480 6.102 50 30 biogenic HKEARN C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000011866341 559264139 /nfs/dbraw/zinc/26/41/39/559264139.db2.gz FHWGCJPLMADMKV-UHFFFAOYSA-N 0 0 420.818 6.143 50 30 HKEARN COc1cc(CN=Nc2nccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000011866678 559264223 /nfs/dbraw/zinc/26/42/23/559264223.db2.gz MRDJKJQOAFGZLQ-LSHDLFTRSA-N 0 0 408.310 5.484 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3Cl)cc2)c(OC)c1 ZINC000011867998 523401859 /nfs/dbraw/zinc/40/18/59/523401859.db2.gz PITQCSVGVVXFOW-GXDHUFHOSA-N 0 0 422.864 5.473 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1OC ZINC000011868058 569399076 /nfs/dbraw/zinc/39/90/76/569399076.db2.gz ASLYRNPVQVVORM-WLRTZDKTSA-N 0 0 422.864 5.473 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1cccs1 ZINC000011868602 559264556 /nfs/dbraw/zinc/26/45/56/559264556.db2.gz UDHNJSHPYIVNDY-IUXPMGMMSA-N 0 0 417.269 5.890 50 30 HKEARN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1c(F)cccc1Cl ZINC000011868655 527123218 /nfs/dbraw/zinc/12/32/18/527123218.db2.gz BZSFAUZDHWCZOY-NHDPSOOVSA-N 0 0 415.247 6.328 50 30 HKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 ZINC000011868883 559264547 /nfs/dbraw/zinc/26/45/47/559264547.db2.gz AMQQMZJBCIIFOP-MTJSOVHGSA-N 0 0 424.811 5.323 50 30 HKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 ZINC000011868896 523773772 /nfs/dbraw/zinc/77/37/72/523773772.db2.gz MILZAZAPWWPXSX-MTJSOVHGSA-N 0 0 424.811 5.323 50 30 HKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 ZINC000011869285 569399107 /nfs/dbraw/zinc/39/91/07/569399107.db2.gz LOOKSXPNYZSWCT-YVNNLAQVSA-N 0 0 410.828 5.683 50 30 HKEARN CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 ZINC000011869290 569399083 /nfs/dbraw/zinc/39/90/83/569399083.db2.gz UVHBXGGSYWWRMG-KSEXSDGBSA-N 0 0 424.855 6.073 50 30 HKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccc(Cl)cc1Cl ZINC000011869304 569399047 /nfs/dbraw/zinc/39/90/47/569399047.db2.gz HJIJWFDMAJWCCT-NKVSQWTQSA-N 0 0 415.247 6.328 50 30 HKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1ccccc1F ZINC000011869329 569399034 /nfs/dbraw/zinc/39/90/34/569399034.db2.gz XTYGFJJNJZZZBF-FBHDLOMBSA-N 0 0 415.247 6.328 50 30 HKEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000011880067 568992497 /nfs/dbraw/zinc/99/24/97/568992497.db2.gz XQRPOCNJXVUIEE-GDBMZVCRSA-N 0 0 406.404 5.008 50 30 HKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000011991996 558306302 /nfs/dbraw/zinc/30/63/02/558306302.db2.gz SBUCEHRACUBZFW-AFUMVMLFSA-N 0 0 419.937 6.489 50 30 HKEARN Clc1ccccc1COc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000011992186 559270052 /nfs/dbraw/zinc/27/00/52/559270052.db2.gz QZFHPZFMHNJLOR-AFUMVMLFSA-N 0 0 419.937 6.489 50 30 HKEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000011996899 568992627 /nfs/dbraw/zinc/99/26/27/568992627.db2.gz ZWOJNPAZWQJMQB-IRXDYDNUSA-N 0 0 414.452 5.213 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000012032535 558311455 /nfs/dbraw/zinc/31/14/55/558311455.db2.gz UKQVLHCZHABJSZ-STZFKDTASA-N 0 0 420.921 5.811 50 30 HKEARN COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1Cc1ccccc1 ZINC000012042174 560887803 /nfs/dbraw/zinc/88/78/03/560887803.db2.gz NCXYNLMMMGZAAG-UHFFFAOYSA-N 0 0 411.461 5.102 50 30 HKEARN C=C(Br)Cn1c2ccccc2nc1SCCOc1ccccc1OC ZINC000012062292 560888300 /nfs/dbraw/zinc/88/83/00/560888300.db2.gz OVOIOAAHNHQPRW-UHFFFAOYSA-N 0 0 419.344 5.125 50 30 HKEARN COC(=O)c1ccc(CSc2nc(-c3cccs3)c3c(c2C#N)CCCC3)cc1 ZINC000012138983 560889862 /nfs/dbraw/zinc/88/98/62/560889862.db2.gz PJRNEQRXEFLBQB-UHFFFAOYSA-N 0 0 420.559 5.639 50 30 HKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000012139001 569399624 /nfs/dbraw/zinc/39/96/24/569399624.db2.gz KUEQJTNNRGKRJI-UHFFFAOYSA-N 0 0 414.317 5.658 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000012194144 568993619 /nfs/dbraw/zinc/99/36/19/568993619.db2.gz CGVPXPQHTVZFKS-ZCYQVOJMSA-N 0 0 416.908 6.147 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000012194149 568993872 /nfs/dbraw/zinc/99/38/72/568993872.db2.gz CGVPXPQHTVZFKS-NOZRDPDXSA-N 0 0 416.908 6.147 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000012194155 519027730 /nfs/dbraw/zinc/02/77/30/519027730.db2.gz DGYOGCVJBCDJJZ-ZCYQVOJMSA-N 0 0 400.453 5.633 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000012194160 568993634 /nfs/dbraw/zinc/99/36/34/568993634.db2.gz DGYOGCVJBCDJJZ-NOZRDPDXSA-N 0 0 400.453 5.633 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012194175 568993656 /nfs/dbraw/zinc/99/36/56/568993656.db2.gz ZEPZCROSHUGCJQ-IAPPQJPRSA-N 0 0 424.544 6.617 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012194182 568993702 /nfs/dbraw/zinc/99/37/02/568993702.db2.gz ZEPZCROSHUGCJQ-IXCJQBJRSA-N 0 0 424.544 6.617 50 30 HKEARN C=CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012197011 568993854 /nfs/dbraw/zinc/99/38/54/568993854.db2.gz TVOZQNAPBHNPSP-AOYPEHQESA-N 0 0 412.489 5.502 50 30 HKEARN O=C1O[C@@H](CC(=NNc2ccccc2)c2ccc(Br)cc2)c2ccccc21 ZINC000012249666 568455802 /nfs/dbraw/zinc/45/58/02/568455802.db2.gz NETZFBJCDHWTHH-QFBZFQIZSA-N 0 0 421.294 5.567 50 30 HKEARN O=C1O[C@H](CC(=NNc2ccccc2)c2ccc(Br)cc2)c2ccccc21 ZINC000012249667 527101117 /nfs/dbraw/zinc/10/11/17/527101117.db2.gz NETZFBJCDHWTHH-VUSVCRIZSA-N 0 0 421.294 5.567 50 30 HKEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000012250922 568456239 /nfs/dbraw/zinc/45/62/39/568456239.db2.gz MFYIBTKVFUAJLW-UHFFFAOYSA-N 0 0 411.486 5.670 50 30 HKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 ZINC000012250966 568456062 /nfs/dbraw/zinc/45/60/62/568456062.db2.gz ZRLWMWOYEQIHBU-UHFFFAOYSA-N 0 0 423.925 5.403 50 30 HKEARN COc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000012250967 568456127 /nfs/dbraw/zinc/45/61/27/568456127.db2.gz NWUMCDAFPQHEOD-UHFFFAOYSA-N 0 0 409.898 5.013 50 30 HKEARN COC(=O)c1c(C)c(Cc2ccccc2)sc1/N=C/c1cccc(Cl)c1Cl ZINC000012275606 558363944 /nfs/dbraw/zinc/36/39/44/558363944.db2.gz CVFDTQCZHUGXRB-WYMPLXKRSA-N 0 0 418.345 6.491 50 30 HKEARN C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012276083 519050019 /nfs/dbraw/zinc/05/00/19/519050019.db2.gz LFVSLWUHJJBRPP-ILBGXUMGSA-N 0 0 400.453 5.633 50 30 HKEARN Cc1ccc(-c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4Cl)o3)o2)cc1Cl ZINC000012284805 558365368 /nfs/dbraw/zinc/36/53/68/558365368.db2.gz JUIKBTKOBHXDJI-CSKARUKUSA-N 0 0 423.295 7.718 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2ccccc2Cl)o1 ZINC000012284808 527604413 /nfs/dbraw/zinc/60/44/13/527604413.db2.gz YRORTOVMIRQVQX-PKNBQFBNSA-N 0 0 419.820 6.664 50 30 HKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1Cl ZINC000012284810 525743239 /nfs/dbraw/zinc/74/32/39/525743239.db2.gz FITQAIMNYQHKKS-CSKARUKUSA-N 0 0 423.295 7.718 50 30 HKEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccccc2Cl)o1 ZINC000012284815 558365341 /nfs/dbraw/zinc/36/53/41/558365341.db2.gz HEETVWXMRAQFHU-CSKARUKUSA-N 0 0 419.820 6.664 50 30 HKEARN N#Cc1c(NC(=O)CO/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000012285395 569319985 /nfs/dbraw/zinc/31/99/85/569319985.db2.gz PBMCYERSUYREPA-OGLMXYFKSA-N 0 0 421.456 5.474 50 30 HKEARN N#CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000012312066 568466343 /nfs/dbraw/zinc/46/63/43/568466343.db2.gz REDZUVBYTPHOSH-UHFFFAOYSA-N 0 0 412.518 5.064 50 30 HKEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cc(COc2ccccc2SC)on1 ZINC000012314358 568994609 /nfs/dbraw/zinc/99/46/09/568994609.db2.gz UKJLGXGMAZHJOR-OALUTQOASA-N 0 0 424.566 5.657 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000012318441 526241099 /nfs/dbraw/zinc/24/10/99/526241099.db2.gz CVSICFDKBAGPAV-HJOGWXRNSA-N 0 0 421.525 5.341 50 30 HKEARN Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3n2CCS3)c(Cl)c1 ZINC000012338518 569400429 /nfs/dbraw/zinc/40/04/29/569400429.db2.gz SFSRKURQYUVABX-SSDVNMTOSA-N 0 0 404.322 5.513 50 30 HKEARN O=C(ON=C(Cc1ccccc1)Cc1ccccc1)c1sc2ccccc2c1Cl ZINC000012339706 558386046 /nfs/dbraw/zinc/38/60/46/558386046.db2.gz BBPRYVINQVFCSJ-UHFFFAOYSA-N 0 0 419.933 6.553 50 30 HKEARN CC(=NOC(=O)Nc1c(C)onc1-c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000012339712 558386005 /nfs/dbraw/zinc/38/60/05/558386005.db2.gz XSVQBPKHCGSIED-YSURURNPSA-N 0 0 422.243 6.069 50 30 HKEARN N#Cc1ccc(C(=O)Nc2ccccc2Sc2nc3ccc(Cl)cc3s2)cc1 ZINC000012340450 569400287 /nfs/dbraw/zinc/40/02/87/569400287.db2.gz SZSQSOYLVQQHRN-UHFFFAOYSA-N 0 0 421.934 6.225 50 30 HKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(N(C)C)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012342300 558386324 /nfs/dbraw/zinc/38/63/24/558386324.db2.gz IPTYRPLYFWECTI-FTJBHMTQSA-N 0 0 410.521 5.177 50 30 HKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(N(C)C)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012342301 523878020 /nfs/dbraw/zinc/87/80/20/523878020.db2.gz IPTYRPLYFWECTI-CLJLJLNGSA-N 0 0 410.521 5.177 50 30 HKEARN C#CCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000012342646 568994666 /nfs/dbraw/zinc/99/46/66/568994666.db2.gz ZXMLRHCNZGVITQ-HYARGMPZSA-N 0 0 417.461 5.227 50 30 HKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000012342673 568994442 /nfs/dbraw/zinc/99/44/42/568994442.db2.gz VMGNGHWVTBGXLG-WOJGMQOQSA-N 0 0 418.301 5.242 50 30 HKEARN C/C(=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000012342841 558386242 /nfs/dbraw/zinc/38/62/42/558386242.db2.gz OGGQEPFSBIUYMX-VEILYXNESA-N 0 0 423.476 5.579 50 30 HKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000012342938 558386204 /nfs/dbraw/zinc/38/62/04/558386204.db2.gz OKOJUWDCLMZHNF-PKAZHMFMSA-N 0 0 409.449 5.555 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21)c1cccnc1 ZINC000012343290 558386240 /nfs/dbraw/zinc/38/62/40/558386240.db2.gz VGCWXEZFJFLDII-VULFUBBASA-N 0 0 418.298 5.290 50 30 HKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000012343302 518463612 /nfs/dbraw/zinc/46/36/12/518463612.db2.gz UBRHVKSPOUJGRO-WPWMEQJKSA-N 0 0 409.449 5.555 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000012343322 571304534 /nfs/dbraw/zinc/30/45/34/571304534.db2.gz PUYDMCYCEJOBCD-RGVLZGJSSA-N 0 0 417.288 5.317 50 30 HKEARN C/C(=N\OCO/N=C(/C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000012343337 569400451 /nfs/dbraw/zinc/40/04/51/569400451.db2.gz SJMZXOWRBOWDBK-BKNYSILLSA-N 0 0 420.123 6.439 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000012343641 568994654 /nfs/dbraw/zinc/99/46/54/568994654.db2.gz MVAMYWKKNFLSSG-NDENLUEZSA-N 0 0 424.978 5.730 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S ZINC000012343660 568994719 /nfs/dbraw/zinc/99/47/19/568994719.db2.gz KZGHBGZDLDAXFO-LDADJPATSA-N 0 0 401.940 5.024 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)SC1=S ZINC000012343663 568994599 /nfs/dbraw/zinc/99/45/99/568994599.db2.gz LNRWEOSYCCVGHY-LDADJPATSA-N 0 0 401.940 5.306 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S ZINC000012343708 518832504 /nfs/dbraw/zinc/83/25/04/518832504.db2.gz OAXZDTNDYSFCBJ-XNTDXEJSSA-N 0 0 406.326 5.096 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)SC1=S ZINC000012343713 568994550 /nfs/dbraw/zinc/99/45/50/568994550.db2.gz FXNZFGLGYVCINW-XNTDXEJSSA-N 0 0 411.426 5.232 50 30 HKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000012343871 519004661 /nfs/dbraw/zinc/00/46/61/519004661.db2.gz NZISUZWQQQLEOV-WJDWOHSUSA-N 0 0 406.290 5.799 50 30 HKEARN C=CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000012343906 519035505 /nfs/dbraw/zinc/03/55/05/519035505.db2.gz RURONERBSWXHQT-YVLHZVERSA-N 0 0 422.358 5.964 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000012347623 568494004 /nfs/dbraw/zinc/49/40/04/568494004.db2.gz FDROMAPYQDLZEF-LJQANCHMSA-N 0 0 401.466 5.108 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000012347630 568494054 /nfs/dbraw/zinc/49/40/54/568494054.db2.gz FDROMAPYQDLZEF-IBGZPJMESA-N 0 0 401.466 5.108 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000012348045 527523419 /nfs/dbraw/zinc/52/34/19/527523419.db2.gz JYSQLDWFRJIBJK-JOCHJYFZSA-N 0 0 403.913 5.707 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000012348051 568495871 /nfs/dbraw/zinc/49/58/71/568495871.db2.gz JYSQLDWFRJIBJK-QFIPXVFZSA-N 0 0 403.913 5.707 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 ZINC000012349253 568495608 /nfs/dbraw/zinc/49/56/08/568495608.db2.gz PAMOTRGRFGEWQY-QFIPXVFZSA-N 0 0 404.897 5.425 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 ZINC000012349259 568495688 /nfs/dbraw/zinc/49/56/88/568495688.db2.gz PAMOTRGRFGEWQY-JOCHJYFZSA-N 0 0 404.897 5.425 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349935 523051549 /nfs/dbraw/zinc/05/15/49/523051549.db2.gz KTMQQZJAFFZPNS-WHEQGISXSA-N 0 0 423.559 5.785 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349941 523044443 /nfs/dbraw/zinc/04/44/43/523044443.db2.gz KTMQQZJAFFZPNS-XMHCIUCPSA-N 0 0 423.559 5.785 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349944 568495767 /nfs/dbraw/zinc/49/57/67/568495767.db2.gz KTMQQZJAFFZPNS-MCMMXHMISA-N 0 0 423.559 5.785 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349949 568495737 /nfs/dbraw/zinc/49/57/37/568495737.db2.gz KTMQQZJAFFZPNS-DMZKTXOQSA-N 0 0 423.559 5.785 50 30 HKEARN COc1ccc(C=O)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000012357450 558386803 /nfs/dbraw/zinc/38/68/03/558386803.db2.gz MFXHPKOBXPSJDH-UHFFFAOYSA-N 0 0 410.445 5.671 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000012363503 518828835 /nfs/dbraw/zinc/82/88/35/518828835.db2.gz IAIJRYLRMSHNKN-PDGQHHTCSA-N 0 0 401.940 5.306 50 30 HKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)O/N=C\c1ccc(C#Cc2ccccc2)cc1 ZINC000012367294 558388558 /nfs/dbraw/zinc/38/85/58/558388558.db2.gz NLXRNPBRUJWFGT-YUMHPJSZSA-N 0 0 424.378 5.568 50 30 HKEARN Cc1c2cc(Cl)ccc2sc1C(C)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000012367550 558388698 /nfs/dbraw/zinc/38/86/98/558388698.db2.gz WXGAGGWDGIAHJV-AFPJDJCSSA-N 0 0 418.176 7.659 50 30 HKEARN Cc1c(/N=C/N(C(=O)C2CCCCC2)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000012368311 525521483 /nfs/dbraw/zinc/52/14/83/525521483.db2.gz PJGRDLKWVIVQHL-OEAKJJBVSA-N 0 0 424.457 5.393 50 30 HKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCCC/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000012368752 558388684 /nfs/dbraw/zinc/38/86/84/558388684.db2.gz GLEMXLVFNPRHKD-HBKJEHTGSA-N 0 0 424.384 7.334 50 30 HKEARN FC(F)(F)c1cc(C=NNc2ccc(-c3csnn3)cc2)cc(C(F)(F)F)c1 ZINC000012368867 558388791 /nfs/dbraw/zinc/38/87/91/558388791.db2.gz WODJPMQIINGDEZ-KTZMUZOWSA-N 0 0 416.350 5.689 50 30 HKEARN FC(F)(F)c1sc(C=NNc2cccc(C(F)(F)F)c2)cc1-c1ccccc1 ZINC000012369065 527691503 /nfs/dbraw/zinc/69/15/03/527691503.db2.gz KTVIPWQUISOZBY-KBKYJPHKSA-N 0 0 414.374 6.899 50 30 HKEARN COc1ccc2cc(C(C)=NOC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000012369117 558388724 /nfs/dbraw/zinc/38/87/24/558388724.db2.gz HHRDVLOXSYNUEW-LGJNPRDNSA-N 0 0 418.371 5.720 50 30 HKEARN N=C(NOC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1cccs1 ZINC000012369158 558389040 /nfs/dbraw/zinc/38/90/40/558389040.db2.gz MXFGKFQQJMMQHR-UHFFFAOYSA-N 0 0 414.792 5.158 50 30 HKEARN O=C1c2cc(Cl)ccc2SC/C1=C\c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000012369307 558389119 /nfs/dbraw/zinc/38/91/19/558389119.db2.gz CTRXDRJLBKEUEL-JLHYYAGUSA-N 0 0 419.855 6.522 50 30 HKEARN N#Cc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 ZINC000012369441 569400361 /nfs/dbraw/zinc/40/03/61/569400361.db2.gz WVACUNCTSVXMMM-UHFFFAOYSA-N 0 0 423.419 6.555 50 30 HKEARN Fc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c(Cl)c1 ZINC000012369481 526315838 /nfs/dbraw/zinc/31/58/38/526315838.db2.gz BCVRJQRFHZJVRU-UHFFFAOYSA-N 0 0 410.676 6.234 50 30 HKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012369738 558389300 /nfs/dbraw/zinc/38/93/00/558389300.db2.gz NPYJDPHYXRARHS-FSJBWODESA-N 0 0 421.305 5.610 50 30 HKEARN Clc1ccc(-c2cc(-c3csc(N=NCc4ccccc4)n3)on2)c(Cl)c1 ZINC000012369804 558389180 /nfs/dbraw/zinc/38/91/80/558389180.db2.gz ZUYPIRYKLDEATL-LSHDLFTRSA-N 0 0 415.305 6.218 50 30 HKEARN N=C(NOC(=O)Nc1cccc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000012369859 558389304 /nfs/dbraw/zinc/38/93/04/558389304.db2.gz VMNWMKFYJYYUBL-UHFFFAOYSA-N 0 0 417.252 5.050 50 30 HKEARN CCOC(=O)CSc1nc2sccn2c1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000012369863 520813830 /nfs/dbraw/zinc/81/38/30/520813830.db2.gz UIFNKJBDEHFZIC-UFWORHAWSA-N 0 0 414.339 5.108 50 30 HKEARN CC(=NNc1ccccc1)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012369873 518465037 /nfs/dbraw/zinc/46/50/37/518465037.db2.gz SKMMKLLPLILGQM-MZJWZYIUSA-N 0 0 419.834 6.169 50 30 HKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1cccs1)CCCC2 ZINC000012369944 569400394 /nfs/dbraw/zinc/40/03/94/569400394.db2.gz VHODRXFKMWYIJQ-UHFFFAOYSA-N 0 0 424.978 6.189 50 30 HKEARN N=C(NOC(=O)Nc1ccccc1)c1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC000012369957 558389203 /nfs/dbraw/zinc/38/92/03/558389203.db2.gz MKRIHGWHACWKMD-UHFFFAOYSA-N 0 0 417.252 5.050 50 30 HKEARN CC(N=Nc1cc(C(F)(F)F)ccn1)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000012369980 558389280 /nfs/dbraw/zinc/38/92/80/558389280.db2.gz MYMGBZYVXYUOAG-AUEPDCJTSA-N 0 0 423.376 5.094 50 30 HKEARN Cc1c(C#N)c(Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)nc2ccccc12 ZINC000012370043 569400374 /nfs/dbraw/zinc/40/03/74/569400374.db2.gz MSIXGWWBTKPBSJ-UHFFFAOYSA-N 0 0 412.305 5.658 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)nc(OCCOc3ccccc3)c2C#N)cc1 ZINC000012370992 568514177 /nfs/dbraw/zinc/51/41/77/568514177.db2.gz FFRIKPUKDHKWLX-UHFFFAOYSA-N 0 0 422.484 5.754 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC ZINC000012371174 571308842 /nfs/dbraw/zinc/30/88/42/571308842.db2.gz RQRZKQSSRUAUKO-KEBDBYFISA-N 0 0 418.316 5.036 50 30 HKEARN CSC1=N/C(=N\c2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccccc1 ZINC000012371845 558389843 /nfs/dbraw/zinc/38/98/43/558389843.db2.gz XUESKPYOFCQVCF-XHPQRKPJSA-N 0 0 417.500 6.678 50 30 HKEARN C/N=C1/S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C ZINC000012372370 558390003 /nfs/dbraw/zinc/39/00/03/558390003.db2.gz VQKODWMVSQZFRY-AGSDWXNQSA-N 0 0 409.942 5.183 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000012375811 527043285 /nfs/dbraw/zinc/04/32/85/527043285.db2.gz MODJKYGOYRIKGZ-KGENOOAVSA-N 0 0 420.921 5.811 50 30 HKEARN O=C(/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000012375847 558391863 /nfs/dbraw/zinc/39/18/63/558391863.db2.gz OWAWWQLGUCVEGB-VBKFSLOCSA-N 0 0 404.771 5.998 50 30 HKEARN O=C(/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000012375848 558391764 /nfs/dbraw/zinc/39/17/64/558391764.db2.gz GIGNMMHBOUVZCZ-SFQUDFHCSA-N 0 0 415.323 5.253 50 30 HKEARN N#Cc1cc2c(nc1SCc1ccc(F)c(F)c1)CCN(Cc1ccccc1)C2 ZINC000012376427 569400561 /nfs/dbraw/zinc/40/05/61/569400561.db2.gz OTEMDNOFADTRFY-UHFFFAOYSA-N 0 0 407.489 5.082 50 30 HKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c(Cl)c1 ZINC000012376643 558392108 /nfs/dbraw/zinc/39/21/08/558392108.db2.gz OEAVPMBCNLOFRV-PCLIKHOPSA-N 0 0 417.852 6.680 50 30 HKEARN Clc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000012376756 526987893 /nfs/dbraw/zinc/98/78/93/526987893.db2.gz SHNPPTOXEYYDBE-BUVRLJJBSA-N 0 0 415.888 5.458 50 30 HKEARN O=C1/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc2N1CN1CCCCC1 ZINC000012376802 568545613 /nfs/dbraw/zinc/54/56/13/568545613.db2.gz VBBWEQSEMRLRAK-RFBIWTDZSA-N 0 0 411.505 5.390 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1nc2ccccc2[nH]1 ZINC000012376958 569400557 /nfs/dbraw/zinc/40/05/57/569400557.db2.gz LSTYWFBHTGHEHU-UHFFFAOYSA-N 0 0 418.525 6.456 50 30 HKEARN Brc1ccc(-c2ccc(CN=Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000012377002 571304331 /nfs/dbraw/zinc/30/43/31/571304331.db2.gz VDHNZDKLEKVSHZ-WSDLNYQXSA-N 0 0 424.323 6.279 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000012377932 558392575 /nfs/dbraw/zinc/39/25/75/558392575.db2.gz HNJTYCFUJUTFNA-XMHGGMMESA-N 0 0 415.445 5.277 50 30 HKEARN O=S(=O)(N=C(Nc1cccc2ccccc21)c1ccccc1)c1ccc(Cl)cc1 ZINC000012378366 569400759 /nfs/dbraw/zinc/40/07/59/569400759.db2.gz ZHYSBXZWFCXQQP-UHFFFAOYSA-N 0 0 420.921 5.741 50 30 HKEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000012378373 558392784 /nfs/dbraw/zinc/39/27/84/558392784.db2.gz XMNJZFHQHAMSOX-UHFFFAOYSA-N 0 0 400.503 5.396 50 30 HKEARN O=S(=O)(N=C(Nc1ccc2ccccc2c1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012378374 527159125 /nfs/dbraw/zinc/15/91/25/527159125.db2.gz OOYDCKLKNUXBRI-UHFFFAOYSA-N 0 0 420.921 5.741 50 30 HKEARN C/C(=N/OCO/N=C(/C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000012379015 569400756 /nfs/dbraw/zinc/40/07/56/569400756.db2.gz SJMZXOWRBOWDBK-KRPUJQTQSA-N 0 0 420.123 6.439 50 30 HKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000012379154 568994657 /nfs/dbraw/zinc/99/46/57/568994657.db2.gz YRDHYOPILNTIHO-UHFFFAOYSA-N 0 0 421.309 5.638 50 30 HKEARN C=CCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012379157 568994779 /nfs/dbraw/zinc/99/47/79/568994779.db2.gz AZADGNRHIPMQBN-UHFFFAOYSA-N 0 0 420.416 5.133 50 30 HKEARN C=CCOc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012391079 568695643 /nfs/dbraw/zinc/69/56/43/568695643.db2.gz IVJNBEQASVACKV-UHFFFAOYSA-N 0 0 411.870 5.422 50 30 HKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(F)c1 ZINC000012406300 520801587 /nfs/dbraw/zinc/80/15/87/520801587.db2.gz RQJCEZHPERLMRQ-YLLWSWKHSA-N 0 0 400.881 5.631 50 30 HKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(F)c1 ZINC000012406302 558398029 /nfs/dbraw/zinc/39/80/29/558398029.db2.gz RQJCEZHPERLMRQ-CNFVUWAHSA-N 0 0 400.881 5.631 50 30 HKEARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000012406352 558398037 /nfs/dbraw/zinc/39/80/37/558398037.db2.gz UYYMWZLOVWLSFG-LGKKXNCDSA-N 0 0 410.517 6.541 50 30 HKEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000012406353 558398032 /nfs/dbraw/zinc/39/80/32/558398032.db2.gz UYYMWZLOVWLSFG-DXNJJGIESA-N 0 0 410.517 6.541 50 30 HKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000012406380 523850900 /nfs/dbraw/zinc/85/09/00/523850900.db2.gz KVUCRAMYIJSUMC-KAYFCYQFSA-N 0 0 424.544 6.795 50 30 HKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000012406382 558398010 /nfs/dbraw/zinc/39/80/10/558398010.db2.gz KVUCRAMYIJSUMC-LRRRQAIWSA-N 0 0 424.544 6.795 50 30 HKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 ZINC000012406400 523054212 /nfs/dbraw/zinc/05/42/12/523054212.db2.gz LTEJOJGHZUXRLK-GKTNAJGXSA-N 0 0 403.309 5.755 50 30 HKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 ZINC000012406402 523056239 /nfs/dbraw/zinc/05/62/39/523056239.db2.gz LTEJOJGHZUXRLK-MNXJYXHMSA-N 0 0 403.309 5.755 50 30 HKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000012406404 558398013 /nfs/dbraw/zinc/39/80/13/558398013.db2.gz JPBJSCHBNFSPRF-DHIBRUPHSA-N 0 0 402.416 5.467 50 30 HKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000012406406 558398027 /nfs/dbraw/zinc/39/80/27/558398027.db2.gz JPBJSCHBNFSPRF-SNILEUMVSA-N 0 0 402.416 5.467 50 30 HKEARN C=CCOc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000012407977 568994637 /nfs/dbraw/zinc/99/46/37/568994637.db2.gz KNRXCKIVVJEEHT-UHFFFAOYSA-N 0 0 411.461 5.072 50 30 HKEARN CCCc1cc(C(=O)OC)c(/N=C/Nc2sc(CCC)cc2C(=O)OC)s1 ZINC000012411434 521364011 /nfs/dbraw/zinc/36/40/11/521364011.db2.gz GRQCUEKNJQNTCE-UHFFFAOYSA-N 0 0 408.545 5.060 50 30 HKEARN CCOC(=O)c1c2c(sc1NC1=NC3(CCCCC3)Cc3ccccc31)CCCC2 ZINC000012413824 558401648 /nfs/dbraw/zinc/40/16/48/558401648.db2.gz HHFNPFUJXQKQTD-UHFFFAOYSA-N 0 0 422.594 5.731 50 30 HKEARN CC(=O)Nc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000012416634 558402380 /nfs/dbraw/zinc/40/23/80/558402380.db2.gz QAFSCLJGTWWAAG-DEOSSOPVSA-N 0 0 422.488 5.167 50 30 HKEARN CC(=O)Nc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000012416636 558402311 /nfs/dbraw/zinc/40/23/11/558402311.db2.gz QAFSCLJGTWWAAG-XMMPIXPASA-N 0 0 422.488 5.167 50 30 HKEARN CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000012418863 568719002 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CC(=O)C1=C(c2ccccc2)SC(=C2c3ccccc3NC(C)(C)C2=S)S1 ZINC000012436482 558409104 /nfs/dbraw/zinc/40/91/04/558409104.db2.gz YWQQGDZHBIPASR-HEHNFIMWSA-N 0 0 409.601 6.367 50 30 HKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000012436551 569401319 /nfs/dbraw/zinc/40/13/19/569401319.db2.gz YGDLLUVDIIDTRL-JCMHNJIXSA-N 0 0 413.473 5.317 50 30 HKEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000012436566 558409045 /nfs/dbraw/zinc/40/90/45/558409045.db2.gz KJJCWLJHZFVLDN-BKUYFWCQSA-N 0 0 407.828 5.403 50 30 HKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3ccc(C)cc3NC(C)(C)C2=S)S1 ZINC000012436568 558409110 /nfs/dbraw/zinc/40/91/10/558409110.db2.gz XVXAZRKWTWDOHV-PYCFMQQDSA-N 0 0 423.628 6.675 50 30 HKEARN Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 ZINC000012436652 558409350 /nfs/dbraw/zinc/40/93/50/558409350.db2.gz XCNLIYASCOAKKH-GPIXMANTSA-N 0 0 411.486 5.126 50 30 HKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccccc3c2-c2ccccc2)cc1OC ZINC000012437029 558409218 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C=CCc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc(OCC)c1O ZINC000012466755 568838049 /nfs/dbraw/zinc/83/80/49/568838049.db2.gz OUXSMOJRJWRHPX-TWGQILOBSA-N 0 0 408.523 5.062 50 30 HKEARN CCCCN1C(=O)/C(=C/c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccccc1 ZINC000012466835 568838058 /nfs/dbraw/zinc/83/80/58/568838058.db2.gz SXYOAJMEZSSOHM-CMXCFCNKSA-N 0 0 408.523 5.267 50 30 HKEARN CCOc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1 ZINC000012466916 558420795 /nfs/dbraw/zinc/42/07/95/558420795.db2.gz FYSKFBMJPIDWJH-PHHYILGUSA-N 0 0 424.544 6.041 50 30 HKEARN CCOc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1 ZINC000012466920 558420716 /nfs/dbraw/zinc/42/07/16/558420716.db2.gz FYSKFBMJPIDWJH-VEVGFDJISA-N 0 0 424.544 6.041 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc21 ZINC000012467214 558420685 /nfs/dbraw/zinc/42/06/85/558420685.db2.gz SZHDJIIWZSYFIW-BQNIGPCOSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc21 ZINC000012467216 523669313 /nfs/dbraw/zinc/66/93/13/523669313.db2.gz SZHDJIIWZSYFIW-NFKSOIJDSA-N 0 0 412.489 5.071 50 30 HKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000012467846 525770354 /nfs/dbraw/zinc/77/03/54/525770354.db2.gz MLPOEUHNBFYCTM-PSYZWBJOSA-N 0 0 416.502 5.205 50 30 HKEARN Cc1ccc(COc2ccc(C=C3CCCC(C(=O)C(F)(F)F)=C3O)cc2)cc1 ZINC000012469961 568838340 /nfs/dbraw/zinc/83/83/40/568838340.db2.gz WLJQWXPMQFWFEP-GTFONSFASA-N 0 0 402.412 6.085 50 30 HKEARN C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000012475094 569401616 /nfs/dbraw/zinc/40/16/16/569401616.db2.gz JTBYIAFMZQKHEP-UHFFFAOYSA-N 0 0 416.399 5.499 50 30 HKEARN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O ZINC000012484926 568994861 /nfs/dbraw/zinc/99/48/61/568994861.db2.gz JWUBBDSIWDLEOM-UEGFJKGBSA-N 0 0 400.647 6.734 50 30 world HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000012484965 568994946 /nfs/dbraw/zinc/99/49/46/568994946.db2.gz OFHCOWSQAMBJIW-AVJTYSNKSA-N 0 0 400.647 6.590 50 30 world HKEARN N#Cc1c(NC(=O)CSc2ccccn2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000012488053 568838854 /nfs/dbraw/zinc/83/88/54/568838854.db2.gz LAHJKQTXYMVQBC-UHFFFAOYSA-N 0 0 411.486 5.611 50 30 aggregator HKEARN COc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2Cl)cc1 ZINC000012522652 568842132 /nfs/dbraw/zinc/84/21/32/568842132.db2.gz XXSVDZBTKLYAPA-UHFFFAOYSA-N 0 0 419.897 5.014 50 30 HKEARN C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000012523336 525704868 /nfs/dbraw/zinc/70/48/68/525704868.db2.gz KAJIAPBFQYXVBA-QGZVFWFLSA-N 0 0 418.566 5.030 50 30 HKEARN C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000012523337 568842269 /nfs/dbraw/zinc/84/22/69/568842269.db2.gz KAJIAPBFQYXVBA-KRWDZBQOSA-N 0 0 418.566 5.030 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012523877 519034335 /nfs/dbraw/zinc/03/43/35/519034335.db2.gz UACUFFHRSFYDOK-WGOQTCKBSA-N 0 0 412.493 6.041 50 30 HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000012524360 568842496 /nfs/dbraw/zinc/84/24/96/568842496.db2.gz QMGMBUOMGVPKSK-ZRBLBEILSA-N 0 0 407.498 5.032 50 30 HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000012524361 526430149 /nfs/dbraw/zinc/43/01/49/526430149.db2.gz QMGMBUOMGVPKSK-YTFSRNRJSA-N 0 0 407.498 5.032 50 30 HKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccccc1C#N ZINC000012525237 521636061 /nfs/dbraw/zinc/63/60/61/521636061.db2.gz FGRGQCLUXJEJMO-UHFFFAOYSA-N 0 0 418.444 5.068 50 30 HKEARN N#CCCn1nc(-c2ccc(Cl)cc2)cc1-n1c2ccccc2nc1C(F)(F)F ZINC000012533110 568844598 /nfs/dbraw/zinc/84/45/98/568844598.db2.gz RDRHGGYFYFIHCZ-UHFFFAOYSA-N 0 0 415.806 5.475 50 30 HKEARN CCCn1c(NC(=O)CCCSc2nc3ccccc3s2)nc2ccccc21 ZINC000012540172 568847306 /nfs/dbraw/zinc/84/73/06/568847306.db2.gz HIQUCTXJPWIIDA-UHFFFAOYSA-N 0 0 410.568 6.217 50 30 HKEARN CCc1cc(SCC(=O)Nc2cc(C)cc(C)c2)n2c3ccccc3nc2c1C#N ZINC000012541746 568848777 /nfs/dbraw/zinc/84/87/77/568848777.db2.gz HGZMPXDLVFSGPW-UHFFFAOYSA-N 0 0 414.534 5.269 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012543245 132362542 /nfs/dbraw/zinc/36/25/42/132362542.db2.gz VIWVTISVJLJHJP-UHFFFAOYSA-N 0 0 413.546 5.952 50 30 HKEARN C=CCN(Cc1cccs1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000012544227 518791426 /nfs/dbraw/zinc/79/14/26/518791426.db2.gz OOXUTWLBKNFJDC-UHFFFAOYSA-N 0 0 419.579 5.172 50 30 HKEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000012546547 526466807 /nfs/dbraw/zinc/46/68/07/526466807.db2.gz HADNLGQXQWVAAD-UHFFFAOYSA-N 0 0 412.518 5.348 50 30 HKEARN Cc1ccc(-c2c3c4c(sc3nc3c2C[C@@](C#N)(c2ccccc2)CC3)CCC4)cc1 ZINC000012546723 568850719 /nfs/dbraw/zinc/85/07/19/568850719.db2.gz COUZCRCFBMMYEO-NDEPHWFRSA-N 0 0 420.581 6.711 50 30 HKEARN Cc1ccc(-c2c3c4c(sc3nc3c2C[C@](C#N)(c2ccccc2)CC3)CCC4)cc1 ZINC000012546724 568850526 /nfs/dbraw/zinc/85/05/26/568850526.db2.gz COUZCRCFBMMYEO-MUUNZHRXSA-N 0 0 420.581 6.711 50 30 HKEARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000012547594 520755489 /nfs/dbraw/zinc/75/54/89/520755489.db2.gz ADTNFGCRPDBQAH-HSZRJFAPSA-N 0 0 408.505 5.227 50 30 HKEARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000012547595 568850907 /nfs/dbraw/zinc/85/09/07/568850907.db2.gz ADTNFGCRPDBQAH-QHCPKHFHSA-N 0 0 408.505 5.227 50 30 HKEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012550992 568853056 /nfs/dbraw/zinc/85/30/56/568853056.db2.gz OEMOHGWDOMEQEC-UHFFFAOYSA-N 0 0 412.518 5.348 50 30 HKEARN Cc1cccc(NC(=O)Cc2nc(-c3cn(CCC#N)c4ccccc34)cs2)c1 ZINC000012551682 524609081 /nfs/dbraw/zinc/60/90/81/524609081.db2.gz PXCBHABFGAATRK-UHFFFAOYSA-N 0 0 400.507 5.168 50 30 HKEARN C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012554777 132363508 /nfs/dbraw/zinc/36/35/08/132363508.db2.gz NHEIDGFLMBKUPU-QGZVFWFLSA-N 0 0 422.598 5.318 50 30 HKEARN C[C@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012554781 132363484 /nfs/dbraw/zinc/36/34/84/132363484.db2.gz NHEIDGFLMBKUPU-KRWDZBQOSA-N 0 0 422.598 5.318 50 30 HKEARN N#CCCn1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c2ccccc21 ZINC000012555163 568855248 /nfs/dbraw/zinc/85/52/48/568855248.db2.gz FBJGZFLPTJZVQI-UHFFFAOYSA-N 0 0 412.518 5.694 50 30 HKEARN C=C1[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012558718 568995161 /nfs/dbraw/zinc/99/51/61/568995161.db2.gz BIVLRFGJAOMWBY-SZPZYZBQSA-N 0 0 404.554 5.661 50 30 HKEARN O=C(N[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012558736 558427613 /nfs/dbraw/zinc/42/76/13/558427613.db2.gz RYDILFMFMIUVNX-ICFMYMMBSA-N 0 0 404.513 6.018 50 30 HKEARN O=c1oc2ccccc2cc1-c1csc(N=NC(c2ccccc2)c2ccccc2)n1 ZINC000012558978 568856919 /nfs/dbraw/zinc/85/69/19/568856919.db2.gz IFMLFYKEYFNDRS-UHFFFAOYSA-N 0 0 423.497 5.781 50 30 HKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000012559959 526447094 /nfs/dbraw/zinc/44/70/94/526447094.db2.gz MEGQAUGFLBMFLY-MOSHPQCFSA-N 0 0 403.415 5.144 50 30 HKEARN CO/N=C(/c1ccc(OCCOc2ccc(/C(=N/OC)C(C)C)cc2)cc1)C(C)C ZINC000012560445 568858360 /nfs/dbraw/zinc/85/83/60/568858360.db2.gz PSZHCNCSZQGCMC-OGGGYYITSA-N 0 0 412.530 5.157 50 30 HKEARN S=C(/N=C(/NC=C(Cl)Cl)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000012561095 526382525 /nfs/dbraw/zinc/38/25/25/526382525.db2.gz MVLWPYWSNMOBQP-UHFFFAOYSA-N 0 0 419.164 6.003 50 30 HKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000012561242 524035206 /nfs/dbraw/zinc/03/52/06/524035206.db2.gz AHRPOVWQVUXYTO-XYGWBWBKSA-N 0 0 410.542 6.458 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000012561724 568858645 /nfs/dbraw/zinc/85/86/45/568858645.db2.gz DLCKKXMUAYZIOW-NRFANRHFSA-N 0 0 424.331 6.052 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000012561725 568858746 /nfs/dbraw/zinc/85/87/46/568858746.db2.gz DLCKKXMUAYZIOW-OAQYLSRUSA-N 0 0 424.331 6.052 50 30 HKEARN CC1C/C(=C\c2cccc(C(F)(F)F)c2)C(=O)/C(=C\c2cccc(C(F)(F)F)c2)C1 ZINC000012562062 520900407 /nfs/dbraw/zinc/90/04/07/520900407.db2.gz XANKMJCZKDANLU-ICFDZUSXSA-N 0 0 424.384 7.190 50 30 HKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)COc1ccc(Cl)cc1 ZINC000012563325 569401895 /nfs/dbraw/zinc/40/18/95/569401895.db2.gz GMTITSWXSHQYKR-HZHRSRAPSA-N 0 0 405.925 6.143 50 30 HKEARN N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000012563906 568859578 /nfs/dbraw/zinc/85/95/78/568859578.db2.gz DSIBWYVCGJEDHG-UHFFFAOYSA-N 0 0 410.502 5.346 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000012564675 569401842 /nfs/dbraw/zinc/40/18/42/569401842.db2.gz CFICBWBLLFTEPM-SDNWHVSQSA-N 0 0 413.408 5.483 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012564683 569401905 /nfs/dbraw/zinc/40/19/05/569401905.db2.gz BPAQCLKTIICBHJ-VAWYXSNFSA-N 0 0 401.447 5.405 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012564685 569291574 /nfs/dbraw/zinc/29/15/74/569291574.db2.gz IDEHXWIGBOCAGV-XNTDXEJSSA-N 0 0 402.856 6.228 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccs1 ZINC000012564698 527646814 /nfs/dbraw/zinc/64/68/14/527646814.db2.gz METKKAYNPYLKFX-CCEZHUSRSA-N 0 0 406.510 6.650 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000012564714 560781782 /nfs/dbraw/zinc/78/17/82/560781782.db2.gz ZOHLJXOCURKRQT-NTCAYCPXSA-N 0 0 408.432 6.321 50 30 HKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012566208 568860212 /nfs/dbraw/zinc/86/02/12/568860212.db2.gz MKUALNOZOWELFM-UHFFFAOYSA-N 0 0 418.909 5.281 50 30 HKEARN Cn1c2ccccc2nc1C(C#N)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000012566611 568860205 /nfs/dbraw/zinc/86/02/05/568860205.db2.gz PVPNSZORJOZBJH-UHFFFAOYSA-N 0 0 420.343 6.127 50 30 HKEARN COc1ccc(NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C)=O)cc1 ZINC000012568383 524450325 /nfs/dbraw/zinc/45/03/25/524450325.db2.gz DDNVBKPKJZYAKO-YDZHTSKRSA-N 0 0 422.912 5.367 50 30 HKEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000012569009 568861030 /nfs/dbraw/zinc/86/10/30/568861030.db2.gz UNGXLTGBEHENHL-UHFFFAOYSA-N 0 0 424.485 5.186 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C)cc2)cc1OC ZINC000012576009 560782870 /nfs/dbraw/zinc/78/28/70/560782870.db2.gz CCITVKHSPOINNQ-FYWRMAATSA-N 0 0 424.500 5.761 50 30 HKEARN O=C(NOC(=O)c1c(Cl)cccc1Cl)c1sc2cc(F)ccc2c1Cl ZINC000012583570 526843749 /nfs/dbraw/zinc/84/37/49/526843749.db2.gz CVXXOBLABUVAGR-UHFFFAOYSA-N 0 0 418.660 5.502 50 30 HKEARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)c3ccccc3)cc12 ZINC000012584381 568865698 /nfs/dbraw/zinc/86/56/98/568865698.db2.gz QSIASJOWVMLOKJ-UHFFFAOYSA-N 0 0 420.925 5.609 50 30 HKEARN Cc1c(C(=O)/C=C/c2ccccc2OC(F)F)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000012594151 569401955 /nfs/dbraw/zinc/40/19/55/569401955.db2.gz AWGZCIDQXQSXMC-SOFGYWHQSA-N 0 0 423.341 5.092 50 30 HKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cc2ccccc2o1 ZINC000012595639 527626385 /nfs/dbraw/zinc/62/63/85/527626385.db2.gz PTYOWOKNVHUPIS-MDWZMJQESA-N 0 0 401.849 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-n2ccnc2)cc1 ZINC000012601136 568870034 /nfs/dbraw/zinc/87/00/34/568870034.db2.gz AAHCVWYDLXKEFF-UHFFFAOYSA-N 0 0 416.521 5.273 50 30 HKEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012603784 568870699 /nfs/dbraw/zinc/87/06/99/568870699.db2.gz QIBPSWNISXNPIB-HXUWFJFHSA-N 0 0 402.457 5.279 50 30 HKEARN N#C[C@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 ZINC000012612032 568871656 /nfs/dbraw/zinc/87/16/56/568871656.db2.gz ODRWOUKIHMCLJQ-FYYLOGMGSA-N 0 0 416.506 5.095 50 30 HKEARN N#C[C@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 ZINC000012612038 568871658 /nfs/dbraw/zinc/87/16/58/568871658.db2.gz ODRWOUKIHMCLJQ-JTHBVZDNSA-N 0 0 416.506 5.095 50 30 HKEARN COc1cc(OC)cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c1 ZINC000012619048 522842316 /nfs/dbraw/zinc/84/23/16/522842316.db2.gz SNQCEHCWKUJRDS-FYJGNVAPSA-N 0 0 423.472 5.485 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c(OC)c1 ZINC000012619775 523535808 /nfs/dbraw/zinc/53/58/08/523535808.db2.gz JMUCIVBZLMFRNS-DEDYPNTBSA-N 0 0 423.472 5.485 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccccc2C#N)nc2cc(Cl)ccc2c1=O ZINC000012620202 568872500 /nfs/dbraw/zinc/87/25/00/568872500.db2.gz AUQHAOHQQPKUBW-UHFFFAOYSA-N 0 0 417.921 5.512 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)SC1=S ZINC000012629551 568995819 /nfs/dbraw/zinc/99/58/19/568995819.db2.gz LSPOLEMQZAQRBE-MFOYZWKCSA-N 0 0 413.593 5.031 50 30 HKEARN CC(=O)c1ccc(-c2ccc(C=NN=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)o2)cc1 ZINC000012629846 518295377 /nfs/dbraw/zinc/29/53/77/518295377.db2.gz RGHQJKCKVAHCJU-DPCVLPDWSA-N 0 0 424.456 6.065 50 30 HKEARN C=CCn1c2ccccc2nc1Sc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000012636219 568995823 /nfs/dbraw/zinc/99/58/23/568995823.db2.gz CARKKUZVPXYZNY-UHFFFAOYSA-N 0 0 414.559 6.354 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 ZINC000012637011 568883730 /nfs/dbraw/zinc/88/37/30/568883730.db2.gz GLQYZAYMYOFNMO-JJFYIABZSA-N 0 0 410.828 5.683 50 30 HKEARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCc3ccc(C#N)cc3)cc12 ZINC000012638438 568883917 /nfs/dbraw/zinc/88/39/17/568883917.db2.gz WZXTUQBWVRWXGN-UHFFFAOYSA-N 0 0 421.909 5.337 50 30 HKEARN C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccccc1OC ZINC000012639831 568884057 /nfs/dbraw/zinc/88/40/57/568884057.db2.gz ITQMFIMZBAYGBE-UHFFFAOYSA-N 0 0 413.930 5.129 50 30 HKEARN C#CCOc1c(Cl)cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000012641453 568885363 /nfs/dbraw/zinc/88/53/63/568885363.db2.gz NRYPHBZJSLTNIL-UHFFFAOYSA-N 0 0 414.892 6.085 50 30 HKEARN CCCc1cc(SCC(=O)Nc2ccc(C)cc2)n2c3ccccc3nc2c1C#N ZINC000012648899 569402367 /nfs/dbraw/zinc/40/23/67/569402367.db2.gz JHMMWZLHQKVTER-UHFFFAOYSA-N 0 0 414.534 5.351 50 30 HKEARN CCCc1cc(SCC(=O)Nc2cccc(C)c2)n2c3ccccc3nc2c1C#N ZINC000012648906 569402344 /nfs/dbraw/zinc/40/23/44/569402344.db2.gz BWMJXZFXFFHRLU-UHFFFAOYSA-N 0 0 414.534 5.351 50 30 HKEARN CCCc1cc(SCC(=O)Nc2ccccc2C)n2c3ccccc3nc2c1C#N ZINC000012648909 569402326 /nfs/dbraw/zinc/40/23/26/569402326.db2.gz YILAWOITFNKBBE-UHFFFAOYSA-N 0 0 414.534 5.351 50 30 HKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccccc2)CCCC4)cc1 ZINC000012650480 525894579 /nfs/dbraw/zinc/89/45/79/525894579.db2.gz RHMVUUYLKOEVRN-MFKUBSTISA-N 0 0 414.534 5.080 50 30 HKEARN N#Cc1c(-c2ccc(Cl)cc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 ZINC000012651276 568906753 /nfs/dbraw/zinc/90/67/53/568906753.db2.gz SDYKXEJROPEURS-UHFFFAOYSA-N 0 0 400.934 7.034 50 30 HKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652135 558443975 /nfs/dbraw/zinc/44/39/75/558443975.db2.gz TUNZEGFDZSCUPR-QHCPKHFHSA-N 0 0 418.880 5.754 50 30 HKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652137 558443983 /nfs/dbraw/zinc/44/39/83/558443983.db2.gz TUNZEGFDZSCUPR-HSZRJFAPSA-N 0 0 418.880 5.754 50 30 HKEARN CCCNC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652145 558443960 /nfs/dbraw/zinc/44/39/60/558443960.db2.gz BKIXCRGAMAEBMR-QFIPXVFZSA-N 0 0 409.917 5.440 50 30 HKEARN CCCNC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652147 558443953 /nfs/dbraw/zinc/44/39/53/558443953.db2.gz BKIXCRGAMAEBMR-JOCHJYFZSA-N 0 0 409.917 5.440 50 30 HKEARN Cc1ccc(-c2c3c4c(sc3nc(-c3ccc(Cl)cc3)c2C#N)CCC4)cc1 ZINC000012652193 568906698 /nfs/dbraw/zinc/90/66/98/568906698.db2.gz GMZWGCJEHBSZAR-UHFFFAOYSA-N 0 0 400.934 6.953 50 30 HKEARN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000012652245 527301874 /nfs/dbraw/zinc/30/18/74/527301874.db2.gz DYRXXLNDGPKCRY-QHCPKHFHSA-N 0 0 404.491 5.091 50 30 HKEARN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000012652248 558443996 /nfs/dbraw/zinc/44/39/96/558443996.db2.gz DYRXXLNDGPKCRY-HSZRJFAPSA-N 0 0 404.491 5.091 50 30 HKEARN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000012652256 558443973 /nfs/dbraw/zinc/44/39/73/558443973.db2.gz OBKADYFOOKCYSM-HSZRJFAPSA-N 0 0 405.498 5.302 50 30 HKEARN O=C(NC1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000012652259 527513494 /nfs/dbraw/zinc/51/34/94/527513494.db2.gz OBKADYFOOKCYSM-QHCPKHFHSA-N 0 0 405.498 5.302 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000012654072 518663450 /nfs/dbraw/zinc/66/34/50/518663450.db2.gz RYZOQJGBGALJTK-AYTKSQBWSA-N 0 0 403.680 6.501 50 30 biogenic HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000012654077 569402298 /nfs/dbraw/zinc/40/22/98/569402298.db2.gz RYZOQJGBGALJTK-VARQLJSGSA-N 0 0 403.680 6.501 50 30 biogenic HKEARN N#Cc1c2c(sc1NC(=O)C13C[C@@H]4C[C@H](C1)CC(c1ccccc1)(C4)C3)CCC2 ZINC000012655236 568906628 /nfs/dbraw/zinc/90/66/28/568906628.db2.gz VVTXHDSVDMJHLV-PHBHNISSSA-N 0 0 402.563 5.585 50 30 HKEARN O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000012655584 526960349 /nfs/dbraw/zinc/96/03/49/526960349.db2.gz SNOJHUGTPWMMOU-WCYRKSIYSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000012655589 569402414 /nfs/dbraw/zinc/40/24/14/569402414.db2.gz SNOJHUGTPWMMOU-KHVXQDHOSA-N 0 0 408.501 5.196 50 30 biogenic HKEARN CC(C)(C)C1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000012660306 560783854 /nfs/dbraw/zinc/78/38/54/560783854.db2.gz OFJFTPGESUQDSD-OMYAATJGSA-N 0 0 420.465 5.995 50 30 HKEARN CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)cc4)ccc3C2=O)cc1 ZINC000012662240 569402697 /nfs/dbraw/zinc/40/26/97/569402697.db2.gz LERBJLJTFNTKDW-OYKKKHCWSA-N 0 0 414.457 5.231 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc1OC ZINC000012662274 523424250 /nfs/dbraw/zinc/42/42/50/523424250.db2.gz QKMKXGFMGCAXOK-FMCGGJTJSA-N 0 0 406.409 5.038 50 30 biogenic HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c1 ZINC000012662740 569402732 /nfs/dbraw/zinc/40/27/32/569402732.db2.gz VHJVOUGNZYFYSG-MXAYSNPKSA-N 0 0 416.473 5.516 50 30 biogenic HKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c1OC ZINC000012662805 569061487 /nfs/dbraw/zinc/06/14/87/569061487.db2.gz IENRXIMBFYKZIS-QRVIBDJDSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 ZINC000012662812 569402696 /nfs/dbraw/zinc/40/26/96/569402696.db2.gz LVAMIWMRJKEJCZ-ABVWVXPPSA-N 0 0 412.441 5.225 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 ZINC000012663009 519317076 /nfs/dbraw/zinc/31/70/76/519317076.db2.gz SCUMTXZNMISNOR-MXAYSNPKSA-N 0 0 414.457 5.542 50 30 biogenic HKEARN COc1cccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c1OC ZINC000012663017 569402702 /nfs/dbraw/zinc/40/27/02/569402702.db2.gz INGLBHYVRDZTPL-CFRMEGHHSA-N 0 0 416.473 5.516 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1OC ZINC000012663028 523424085 /nfs/dbraw/zinc/42/40/85/523424085.db2.gz FEPHZGXUXGGUGH-MXAYSNPKSA-N 0 0 416.473 5.516 50 30 biogenic HKEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012676494 568907432 /nfs/dbraw/zinc/90/74/32/568907432.db2.gz PIFJVKRSNBKDTQ-LJQANCHMSA-N 0 0 423.541 5.855 50 30 HKEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012676498 568907467 /nfs/dbraw/zinc/90/74/67/568907467.db2.gz PIFJVKRSNBKDTQ-IBGZPJMESA-N 0 0 423.541 5.855 50 30 HKEARN C=CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2c(s1)CCCC2 ZINC000012678305 568907553 /nfs/dbraw/zinc/90/75/53/568907553.db2.gz XKHMWEANHJKOEB-UHFFFAOYSA-N 0 0 423.563 5.169 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Br)cc3)c12 ZINC000012681206 519265283 /nfs/dbraw/zinc/26/52/83/519265283.db2.gz AHGPPSZHFGJKPC-JLHYYAGUSA-N 0 0 420.310 5.442 50 30 HKEARN CCCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012681266 569402819 /nfs/dbraw/zinc/40/28/19/569402819.db2.gz GCSXGYFXFDGENW-UHFFFAOYSA-N 0 0 410.565 6.559 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3Br)c12 ZINC000012684751 569402824 /nfs/dbraw/zinc/40/28/24/569402824.db2.gz LAASIYAJAIKFJF-OUKQBFOZSA-N 0 0 420.310 5.442 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(Br)c3)c12 ZINC000012687307 519266473 /nfs/dbraw/zinc/26/64/73/519266473.db2.gz BOGYDRVDCBJGOW-VAWYXSNFSA-N 0 0 420.310 5.442 50 30 HKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012689766 132365984 /nfs/dbraw/zinc/36/59/84/132365984.db2.gz MHLXZWONLQEEJG-BGYRXZFFSA-N 0 0 422.576 6.049 50 30 HKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1OC ZINC000012691643 568915423 /nfs/dbraw/zinc/91/54/23/568915423.db2.gz VVVVIBSZWQYNQU-UHFFFAOYSA-N 0 0 420.563 5.556 50 30 HKEARN N#Cc1ccccc1CSCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000012692357 568915500 /nfs/dbraw/zinc/91/55/00/568915500.db2.gz XMNZXUCJFPXMFI-UHFFFAOYSA-N 0 0 402.548 5.575 50 30 HKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1coc(-c2cccs2)n1 ZINC000012700573 568917245 /nfs/dbraw/zinc/91/72/45/568917245.db2.gz SABARIMTRVAWPD-UHFFFAOYSA-N 0 0 415.927 5.245 50 30 HKEARN Cc1ccc(S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000012729617 569402923 /nfs/dbraw/zinc/40/29/23/569402923.db2.gz ZZXPUJBAUVDSRS-XDOYNYLZSA-N 0 0 401.940 5.576 50 30 HKEARN C=CCn1c(-c2ccoc2C)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S ZINC000012740138 568927020 /nfs/dbraw/zinc/92/70/20/568927020.db2.gz CVHMMNXWESUWBZ-UHFFFAOYSA-N 0 0 422.476 5.277 50 30 HKEARN C=CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000012745005 568931072 /nfs/dbraw/zinc/93/10/72/568931072.db2.gz ZFNYYBXUULAGSZ-NRFANRHFSA-N 0 0 406.555 5.070 50 30 HKEARN C=CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC000012745008 568931055 /nfs/dbraw/zinc/93/10/55/568931055.db2.gz ZFNYYBXUULAGSZ-OAQYLSRUSA-N 0 0 406.555 5.070 50 30 HKEARN COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000012745385 569403095 /nfs/dbraw/zinc/40/30/95/569403095.db2.gz LIADNHPMLPQHGU-DHZHZOJOSA-N 0 0 420.534 5.658 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCSCc1ccccc1F ZINC000012745473 568931280 /nfs/dbraw/zinc/93/12/80/568931280.db2.gz BUXNZQFQVOLMLE-UHFFFAOYSA-N 0 0 422.550 5.512 50 30 HKEARN COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000012756006 568943022 /nfs/dbraw/zinc/94/30/22/568943022.db2.gz MHWNMTWVHHVCKU-AQTBWJFISA-N 0 0 415.445 5.277 50 30 HKEARN COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000012756011 568943117 /nfs/dbraw/zinc/94/31/17/568943117.db2.gz DMMKWQUGVIDQLW-AQTBWJFISA-N 0 0 415.445 5.277 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 ZINC000012756018 568943095 /nfs/dbraw/zinc/94/30/95/568943095.db2.gz FTZMOZCDVJZZSN-HKWRFOASSA-N 0 0 415.445 5.277 50 30 HKEARN C=CCOc1ccc2c(c1)oc(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c2-c1ccccc1 ZINC000012759396 568943828 /nfs/dbraw/zinc/94/38/28/568943828.db2.gz GAGMBJFCKKSVSQ-UHFFFAOYSA-N 0 0 413.473 6.043 50 30 HKEARN COc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3c(C)cccc3C)n2)c1 ZINC000012768580 569403402 /nfs/dbraw/zinc/40/34/02/569403402.db2.gz SFICSOMDNAZZKT-VAWYXSNFSA-N 0 0 406.507 5.349 50 30 HKEARN C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000012770334 568951449 /nfs/dbraw/zinc/95/14/49/568951449.db2.gz GYUNULXAGBBZBF-OAHLLOKOSA-N 0 0 408.473 5.620 50 30 HKEARN C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000012770338 568951451 /nfs/dbraw/zinc/95/14/51/568951451.db2.gz GYUNULXAGBBZBF-HNNXBMFYSA-N 0 0 408.473 5.620 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1)c1c(C)cccc1C ZINC000012774811 569403366 /nfs/dbraw/zinc/40/33/66/569403366.db2.gz NWRVRCMEFBBHLD-VAWYXSNFSA-N 0 0 404.535 5.957 50 30 HKEARN COc1ccc(/C=C/C(=O)c2c(C)nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 ZINC000012779304 569403384 /nfs/dbraw/zinc/40/33/84/569403384.db2.gz FPFUZDZZXMDMPL-XNTDXEJSSA-N 0 0 424.456 6.023 50 30 HKEARN N#Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c(Cl)c1 ZINC000012808294 568980623 /nfs/dbraw/zinc/98/06/23/568980623.db2.gz FONUJOJVZNCDKE-UHFFFAOYSA-N 0 0 404.882 5.559 50 30 HKEARN C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000012820274 568992078 /nfs/dbraw/zinc/99/20/78/568992078.db2.gz JJLUHERNHRVBPN-ZDUSSCGKSA-N 0 0 412.864 5.786 50 30 HKEARN C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000012820278 568991992 /nfs/dbraw/zinc/99/19/92/568991992.db2.gz JJLUHERNHRVBPN-CYBMUJFWSA-N 0 0 412.864 5.786 50 30 HKEARN COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(F)c(F)c3)cs2)cc1 ZINC000012821360 569403878 /nfs/dbraw/zinc/40/38/78/569403878.db2.gz IMPOERGAJCNYQC-ONNFQVAWSA-N 0 0 414.433 5.011 50 30 HKEARN C=CCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccccc2)cs1 ZINC000012822645 569006711 /nfs/dbraw/zinc/00/67/11/569006711.db2.gz LKTLSYYHGYRBAU-UHFFFAOYSA-N 0 0 422.535 5.073 50 30 HKEARN C=CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 ZINC000012825249 569009308 /nfs/dbraw/zinc/00/93/08/569009308.db2.gz DHFSRVYAROFFGX-UHFFFAOYSA-N 0 0 407.520 5.288 50 30 HKEARN Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4)o3)NC2=O)c1 ZINC000012843861 568994111 /nfs/dbraw/zinc/99/41/11/568994111.db2.gz YYWTYNQDBUNMIJ-FINLKQIMSA-N 0 0 423.925 5.073 50 30 HKEARN C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000012851141 568997183 /nfs/dbraw/zinc/99/71/83/568997183.db2.gz FSROJQBPPWTBBC-UHFFFAOYSA-N 0 0 423.929 5.051 50 30 HKEARN C=CCn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012854367 569010871 /nfs/dbraw/zinc/01/08/71/569010871.db2.gz DDRFMPJJXKGKMT-UHFFFAOYSA-N 0 0 411.575 5.401 50 30 HKEARN CC(C)(C)C(COc1ccccc1[N+](=O)[O-])=NOC(=O)Nc1cccc(Cl)c1 ZINC000012855660 569404100 /nfs/dbraw/zinc/40/41/00/569404100.db2.gz KUJZPNZQGJQNNZ-XLNRJJMWSA-N 0 0 405.838 5.278 50 30 HKEARN CC(C)CSC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000012856355 569404109 /nfs/dbraw/zinc/40/41/09/569404109.db2.gz ULPKEROLNHKSOD-KQWNVCNZSA-N 0 0 412.773 6.896 50 30 HKEARN CC(C)Sc1nc2sccn2c1/C=N/OCc1c(Cl)cccc1Cl ZINC000012856545 569404124 /nfs/dbraw/zinc/40/41/24/569404124.db2.gz QDBQEORXDCBNDH-UFWORHAWSA-N 0 0 400.356 5.754 50 30 HKEARN C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1-c1ccc(Cl)cc1Cl ZINC000012857818 569011225 /nfs/dbraw/zinc/01/12/25/569011225.db2.gz LDIMUEFNIUBTCK-LLVKDONJSA-N 0 0 424.357 5.627 50 30 HKEARN C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1-c1ccc(Cl)cc1Cl ZINC000012857825 569011219 /nfs/dbraw/zinc/01/12/19/569011219.db2.gz LDIMUEFNIUBTCK-NSHDSACASA-N 0 0 424.357 5.627 50 30 HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 ZINC000012858499 569404062 /nfs/dbraw/zinc/40/40/62/569404062.db2.gz WOMLOLMPWRKOAV-QFEZKATASA-N 0 0 414.457 5.542 50 30 biogenic HKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1 ZINC000012858522 569404052 /nfs/dbraw/zinc/40/40/52/569404052.db2.gz WTOAUBFDSSZCRX-CFRMEGHHSA-N 0 0 414.457 5.285 50 30 biogenic HKEARN CCCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N ZINC000012858559 569404114 /nfs/dbraw/zinc/40/41/14/569404114.db2.gz NRHXYAXYXORPSS-VCFJNTAESA-N 0 0 410.586 7.413 50 30 HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c1 ZINC000012858814 569404121 /nfs/dbraw/zinc/40/41/21/569404121.db2.gz WGEQCOHHLFWSLI-CFRMEGHHSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)cc1 ZINC000012859150 569404116 /nfs/dbraw/zinc/40/41/16/569404116.db2.gz YFUNXLQUOQKTNK-OYKKKHCWSA-N 0 0 412.441 5.311 50 30 biogenic HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c1 ZINC000012859417 569404191 /nfs/dbraw/zinc/40/41/91/569404191.db2.gz MHCFNPPIEBFFPE-CFRMEGHHSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1 ZINC000012859535 569404229 /nfs/dbraw/zinc/40/42/29/569404229.db2.gz WNCKVSZSODYAJV-MSXFZWOLSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc1OC ZINC000012860061 569404178 /nfs/dbraw/zinc/40/41/78/569404178.db2.gz VHQRXXHTVQOIOZ-CFRMEGHHSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c1OC ZINC000012860476 569404176 /nfs/dbraw/zinc/40/41/76/569404176.db2.gz HCQNSGOFTMCVIQ-QRVIBDJDSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000012861090 569404200 /nfs/dbraw/zinc/40/42/00/569404200.db2.gz BCZXILDYEOZUNU-QFEZKATASA-N 0 0 414.457 5.542 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1 ZINC000012861241 569404198 /nfs/dbraw/zinc/40/41/98/569404198.db2.gz KNLCRICAEAFGMZ-MSXFZWOLSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000012861642 569404214 /nfs/dbraw/zinc/40/42/14/569404214.db2.gz UYZOSKCWXUQPGR-FUPWBYONSA-N 0 0 410.469 6.045 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc1OC ZINC000012862663 569404150 /nfs/dbraw/zinc/40/41/50/569404150.db2.gz XAFCIZQGFOSPAD-CFRMEGHHSA-N 0 0 402.446 5.207 50 30 biogenic HKEARN COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1 ZINC000012862872 569404212 /nfs/dbraw/zinc/40/42/12/569404212.db2.gz SZMNSBLIYLNLAV-ROTLSHHCSA-N 0 0 416.473 5.516 50 30 biogenic HKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 ZINC000012862880 569404168 /nfs/dbraw/zinc/40/41/68/569404168.db2.gz ZLSDTIPASUCGSP-OYKKKHCWSA-N 0 0 414.457 5.542 50 30 biogenic HKEARN Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1 ZINC000012866613 569404317 /nfs/dbraw/zinc/40/43/17/569404317.db2.gz RHCQKTVYOJLSRN-HPSLKSCPSA-N 0 0 423.641 6.283 50 30 biogenic HKEARN C=CCc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2Cl)c(OC)c1 ZINC000012871930 569013330 /nfs/dbraw/zinc/01/33/30/569013330.db2.gz FDIZQUGDUOHDBC-UHFFFAOYSA-N 0 0 423.896 5.887 50 30 HKEARN N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 ZINC000012874896 569013508 /nfs/dbraw/zinc/01/35/08/569013508.db2.gz JIDOCNUNVDDOKL-UHFFFAOYSA-N 0 0 424.304 5.034 50 30 HKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O ZINC000012877730 569404444 /nfs/dbraw/zinc/40/44/44/569404444.db2.gz ZFBVCHBAJWUCFA-SGMWPGOQSA-N 0 0 410.425 5.229 50 30 biogenic HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O ZINC000012877735 569404464 /nfs/dbraw/zinc/40/44/64/569404464.db2.gz ZFBVCHBAJWUCFA-DNPFKWNUSA-N 0 0 410.425 5.229 50 30 biogenic HKEARN 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 ZINC000012878370 569404439 /nfs/dbraw/zinc/40/44/39/569404439.db2.gz IYRSSYWRXNNHCW-MAUFGBBVSA-N 0 0 413.558 5.356 50 30 biogenic HKEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 ZINC000012879547 569404455 /nfs/dbraw/zinc/40/44/55/569404455.db2.gz DNVBIJFPARYDBE-GFEOOXAPSA-N 0 0 410.469 5.898 50 30 biogenic HKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000012879554 569404377 /nfs/dbraw/zinc/40/43/77/569404377.db2.gz ABKWXTKLZXQKEX-GFEOOXAPSA-N 0 0 410.469 5.898 50 30 biogenic HKEARN CC(C)Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1 ZINC000012887971 569019683 /nfs/dbraw/zinc/01/96/83/569019683.db2.gz CPISTZVDVRKSPB-HSZRJFAPSA-N 0 0 424.591 5.027 50 30 HKEARN CC(C)Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1 ZINC000012887979 569019695 /nfs/dbraw/zinc/01/96/95/569019695.db2.gz CPISTZVDVRKSPB-QHCPKHFHSA-N 0 0 424.591 5.027 50 30 HKEARN C=CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl ZINC000012889061 569019832 /nfs/dbraw/zinc/01/98/32/569019832.db2.gz SDUKJGYAZFRXRR-UHFFFAOYSA-N 0 0 424.357 5.411 50 30 HKEARN C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1 ZINC000012895708 569385262 /nfs/dbraw/zinc/38/52/62/569385262.db2.gz LYWCGYGCMQAAIS-UHFFFAOYSA-N 0 0 416.477 5.109 50 30 biogenic HKEARN COc1ccc(C)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2c(C)cccc2C)n1 ZINC000012905510 569404874 /nfs/dbraw/zinc/40/48/74/569404874.db2.gz RDOLQMLIIIPXCO-ZHACJKMWSA-N 0 0 420.534 5.658 50 30 HKEARN C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1-c1ccoc1C ZINC000012916410 569022331 /nfs/dbraw/zinc/02/23/31/569022331.db2.gz VPTHCJYEGBQEBQ-HXUWFJFHSA-N 0 0 424.570 5.028 50 30 HKEARN C=CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1-c1ccoc1C ZINC000012916415 569022352 /nfs/dbraw/zinc/02/23/52/569022352.db2.gz VPTHCJYEGBQEBQ-FQEVSTJZSA-N 0 0 424.570 5.028 50 30 HKEARN N#Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(Br)c1 ZINC000012933574 569025736 /nfs/dbraw/zinc/02/57/36/569025736.db2.gz UUEYUSMWSUJIAT-UHFFFAOYSA-N 0 0 405.251 5.401 50 30 HKEARN N#Cc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012943265 569028855 /nfs/dbraw/zinc/02/88/55/569028855.db2.gz YGLVEYFRZJGAQW-UHFFFAOYSA-N 0 0 422.712 5.267 50 30 HKEARN C=CCSc1nc2c3ccccc3sc2c(Sc2ccccc2C(=O)OC)n1 ZINC000012951187 569405146 /nfs/dbraw/zinc/40/51/46/569405146.db2.gz WCOYMBUVRPTTGB-UHFFFAOYSA-N 0 0 424.572 6.060 50 30 HKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000012954496 569405247 /nfs/dbraw/zinc/40/52/47/569405247.db2.gz ZFKAZDNJAITUFA-LCYFTJDESA-N 0 0 411.284 6.417 50 30 HKEARN CSc1nc(Sc2ccc(Cl)cc2Cl)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000012955180 569405220 /nfs/dbraw/zinc/40/52/20/569405220.db2.gz JROMHHFKARCFAS-UHFFFAOYSA-N 0 0 418.374 6.504 50 30 HKEARN CSc1nc(Sc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000012955186 569405229 /nfs/dbraw/zinc/40/52/29/569405229.db2.gz UTGWXCNWSNZUTM-UHFFFAOYSA-N 0 0 417.481 6.216 50 30 HKEARN Cc1ccc(-c2nc(SCc3ccccc3)nc(NCc3ccccc3)c2C#N)cc1 ZINC000012955189 569405227 /nfs/dbraw/zinc/40/52/27/569405227.db2.gz VZKDOYOKLVCJIV-UHFFFAOYSA-N 0 0 422.557 6.228 50 30 HKEARN N#C[C@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl ZINC000012956082 558488450 /nfs/dbraw/zinc/48/84/50/558488450.db2.gz ULYGLIMYXDSDBA-LLVKDONJSA-N 0 0 408.260 5.868 50 30 HKEARN FC(F)(F)c1cnc(NNC=NOCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000012956127 569405221 /nfs/dbraw/zinc/40/52/21/569405221.db2.gz AVRZUUQMHBWSFM-UHFFFAOYSA-N 0 0 413.614 5.137 50 30 HKEARN O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000012956138 569405259 /nfs/dbraw/zinc/40/52/59/569405259.db2.gz JKSLGRYSUOXMTR-YXSASFKJSA-N 0 0 406.096 5.831 50 30 HKEARN O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 ZINC000012956144 569405270 /nfs/dbraw/zinc/40/52/70/569405270.db2.gz DOIDLGYSKWZPPY-UKWGHVSLSA-N 0 0 416.102 5.287 50 30 HKEARN O=C(C/C=N\OCc1c(Cl)cccc1Cl)Oc1ccc(Cl)cc1Cl ZINC000012956163 569405271 /nfs/dbraw/zinc/40/52/71/569405271.db2.gz ZVUUOWQEGNKERE-YXSASFKJSA-N 0 0 407.080 5.798 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000012956271 569405269 /nfs/dbraw/zinc/40/52/69/569405269.db2.gz OHOSMIMKIGXZND-MPUCSWFWSA-N 0 0 406.096 5.831 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000012956277 569405212 /nfs/dbraw/zinc/40/52/12/569405212.db2.gz GMDQGGNVHKMFDC-MPUCSWFWSA-N 0 0 406.096 5.831 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000012956390 569405240 /nfs/dbraw/zinc/40/52/40/569405240.db2.gz CPGRJMNXCBAALR-MPUCSWFWSA-N 0 0 406.096 5.831 50 30 HKEARN S=C(N/C=N\OCc1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000012956396 569405251 /nfs/dbraw/zinc/40/52/51/569405251.db2.gz GHOABDYKXWPSAO-UHFFFAOYSA-N 0 0 423.152 5.747 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000012956470 569405256 /nfs/dbraw/zinc/40/52/56/569405256.db2.gz KBYPEDHVABNRLU-MPUCSWFWSA-N 0 0 406.096 5.831 50 30 HKEARN Clc1ccc(CO/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000012956895 569405396 /nfs/dbraw/zinc/40/53/96/569405396.db2.gz ZMSJQKNMRLUBAZ-BRJLIKDPSA-N 0 0 420.723 6.777 50 30 HKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012957276 569405362 /nfs/dbraw/zinc/40/53/62/569405362.db2.gz MPQDMGZYSBFNAO-LZWSPWQCSA-N 0 0 416.857 5.143 50 30 HKEARN O=[N+]([O-])c1ccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1 ZINC000012957746 569405350 /nfs/dbraw/zinc/40/53/50/569405350.db2.gz YKMWMQLDZNVGMY-SRZZPIQSSA-N 0 0 412.858 5.175 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 ZINC000012957965 558488361 /nfs/dbraw/zinc/48/83/61/558488361.db2.gz QQULNPQQAGCGFI-ZBKNUEDVSA-N 0 0 416.102 5.287 50 30 HKEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 ZINC000012957973 558488418 /nfs/dbraw/zinc/48/84/18/558488418.db2.gz KSLIHVZBHPNYQZ-ZBKNUEDVSA-N 0 0 416.102 5.287 50 30 HKEARN Clc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000012958245 569405387 /nfs/dbraw/zinc/40/53/87/569405387.db2.gz RQYHBXUQJWIFCI-BHGWPJFGSA-N 0 0 423.752 6.744 50 30 HKEARN O=C(C/C=N/OCc1ccc(F)cc1Cl)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000012958430 569405327 /nfs/dbraw/zinc/40/53/27/569405327.db2.gz CFTNQABKSRONNL-KTZMUZOWSA-N 0 0 423.296 6.031 50 30 HKEARN O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000012959081 569405401 /nfs/dbraw/zinc/40/54/01/569405401.db2.gz PVZXZWOVCNXXJV-AJMWVYNUSA-N 0 0 417.805 5.027 50 30 HKEARN O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000012959087 569405374 /nfs/dbraw/zinc/40/53/74/569405374.db2.gz PVZXZWOVCNXXJV-NGFMMCKOSA-N 0 0 417.805 5.027 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1F)N=C(SCc1ccc(F)cc1)N2 ZINC000012959156 569405376 /nfs/dbraw/zinc/40/53/76/569405376.db2.gz NVNUHXWCIMNDGB-JOCHJYFZSA-N 0 0 418.468 5.506 50 30 HKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)c3ccccc3CN12 ZINC000012961148 569405536 /nfs/dbraw/zinc/40/55/36/569405536.db2.gz VPCZYOUUMWWWNL-NIQJEMAJSA-N 0 0 417.917 5.965 50 30 HKEARN O=C1c2ccccc2[C@@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)c3ccccc3CN12 ZINC000012961152 569405474 /nfs/dbraw/zinc/40/54/74/569405474.db2.gz VPCZYOUUMWWWNL-DNQIBQKISA-N 0 0 417.917 5.965 50 30 HKEARN CCCc1ccc(-c2nc3sc4c(c3c(-c3ccc(C)cc3)c2C#N)CCCC4)cc1 ZINC000012970769 569041125 /nfs/dbraw/zinc/04/11/25/569041125.db2.gz FKZZTTBTUDNELD-UHFFFAOYSA-N 0 0 422.597 7.642 50 30 HKEARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012971734 569405529 /nfs/dbraw/zinc/40/55/29/569405529.db2.gz HZSYTLXYWJNUPS-UHFFFAOYSA-N 0 0 423.438 5.315 50 30 HKEARN COc1ccccc1/C=C(/C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000012985741 569405962 /nfs/dbraw/zinc/40/59/62/569405962.db2.gz LSVWGMAZLQURIM-PXLXIMEGSA-N 0 0 408.457 5.104 50 30 HKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000012997680 568997468 /nfs/dbraw/zinc/99/74/68/568997468.db2.gz JQWTZKPBCVTCFC-UHFFFAOYSA-N 0 0 418.802 5.104 50 30 HKEARN COc1ccc(-c2cnnn2-c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000012998119 523157789 /nfs/dbraw/zinc/15/77/89/523157789.db2.gz CWKZZQHVEWJAFF-SYZQJQIISA-N 0 0 415.880 5.492 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1CSc1ccccn1 ZINC000013004185 558501490 /nfs/dbraw/zinc/50/14/90/558501490.db2.gz IUTLZNCDZLVURV-VULFUBBASA-N 0 0 419.575 5.945 50 30 HKEARN CC(=O)N(c1nc(/C=C2\CSc3ccccc3C2=O)cs1)c1cccc(C)c1C ZINC000013004245 519473748 /nfs/dbraw/zinc/47/37/48/519473748.db2.gz DTNGMPMJHAZJSB-GZTJUZNOSA-N 0 0 420.559 5.817 50 30 HKEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1 ZINC000013004806 568997486 /nfs/dbraw/zinc/99/74/86/568997486.db2.gz QBHAOXRYLWBWEK-UHFFFAOYSA-N 0 0 423.390 5.144 50 30 HKEARN CCCc1ccc(-c2csc(NC(=O)CCc3c(C)nn(CCC#N)c3C)n2)cc1 ZINC000013008552 569407023 /nfs/dbraw/zinc/40/70/23/569407023.db2.gz LWYVHQSHRTXDBC-UHFFFAOYSA-N 0 0 421.570 5.061 50 30 HKEARN N#Cc1c(-c2ccccc2)c[nH]c1Sc1ccccc1C(=O)NCc1ccccc1 ZINC000013013707 569406735 /nfs/dbraw/zinc/40/67/35/569406735.db2.gz BMYNXTRQHUZXLI-UHFFFAOYSA-N 0 0 409.514 5.635 50 30 HKEARN C=CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013014247 568998055 /nfs/dbraw/zinc/99/80/55/568998055.db2.gz ZUKGQPOWBCJQDJ-OAHLLOKOSA-N 0 0 423.925 5.322 50 30 HKEARN C=CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013014250 568998058 /nfs/dbraw/zinc/99/80/58/568998058.db2.gz ZUKGQPOWBCJQDJ-HNNXBMFYSA-N 0 0 423.925 5.322 50 30 HKEARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3sccc3C#N)c2c1C ZINC000013015520 559268614 /nfs/dbraw/zinc/26/86/14/559268614.db2.gz SCTVGSUYHGCMIL-UHFFFAOYSA-N 0 0 422.560 5.645 50 30 HKEARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000013015656 568998083 /nfs/dbraw/zinc/99/80/83/568998083.db2.gz DTHSLFZEYGUTOZ-DEOSSOPVSA-N 0 0 412.514 5.051 50 30 HKEARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000013015659 568998038 /nfs/dbraw/zinc/99/80/38/568998038.db2.gz DTHSLFZEYGUTOZ-XMMPIXPASA-N 0 0 412.514 5.051 50 30 HKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000013018042 558504433 /nfs/dbraw/zinc/50/44/33/558504433.db2.gz MHTKVFSKYBQJCQ-UHFFFAOYSA-N 0 0 422.916 5.431 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000013018059 569407376 /nfs/dbraw/zinc/40/73/76/569407376.db2.gz KFGUGVRXENGLQP-UHFFFAOYSA-N 0 0 420.537 6.229 50 30 HKEARN Cc1cc(Cl)ccc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000013027223 569407523 /nfs/dbraw/zinc/40/75/23/569407523.db2.gz BSOQBMXXWLGTRG-UHFFFAOYSA-N 0 0 420.925 5.360 50 30 HKEARN C=CCN(C(=O)Cc1cccs1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000013028191 518734962 /nfs/dbraw/zinc/73/49/62/518734962.db2.gz VBSBTGUJUGOFEA-UHFFFAOYSA-N 0 0 420.559 5.795 50 30 HKEARN N#Cc1c(N)nc2sc(C(=O)c3ccc4ccccc4c3)c(N)c2c1-c1ccccc1 ZINC000013029422 569407512 /nfs/dbraw/zinc/40/75/12/569407512.db2.gz LOLFKJLJIGEHQN-UHFFFAOYSA-N 0 0 420.497 5.384 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1 ZINC000013029439 569407533 /nfs/dbraw/zinc/40/75/33/569407533.db2.gz RZPOSNYGYZFGGC-UHFFFAOYSA-N 0 0 421.525 6.018 50 30 HKEARN Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000013037062 569407527 /nfs/dbraw/zinc/40/75/27/569407527.db2.gz ATIFOHYDMFNRIS-UHFFFAOYSA-N 0 0 418.909 5.372 50 30 HKEARN COc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O ZINC000013039393 523417624 /nfs/dbraw/zinc/41/76/24/523417624.db2.gz HNLHXGGHKKUNFZ-XOBNHNQQSA-N 0 0 422.521 5.607 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000013043421 525229982 /nfs/dbraw/zinc/22/99/82/525229982.db2.gz NHNDBYBGIMGBNV-JOCHJYFZSA-N 0 0 406.913 5.255 50 30 HKEARN C=CCn1c(SCc2c3ccccc3oc2C(=O)OCC)nnc1-c1ccoc1C ZINC000013057774 569408238 /nfs/dbraw/zinc/40/82/38/569408238.db2.gz IAUCVPKBAVNOFF-UHFFFAOYSA-N 0 0 423.494 5.248 50 30 HKEARN C=CCn1c(SCc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O ZINC000013059277 568998101 /nfs/dbraw/zinc/99/81/01/568998101.db2.gz FJNMKKAUNQBNGP-UHFFFAOYSA-N 0 0 421.572 5.536 50 30 HKEARN N#C[C@@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@@H]21 ZINC000013060590 560884773 /nfs/dbraw/zinc/88/47/73/560884773.db2.gz BCCSYYNPYNJQAW-QPPBQGQZSA-N 0 0 401.897 5.196 50 30 HKEARN COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1OC ZINC000013068708 560793139 /nfs/dbraw/zinc/79/31/39/560793139.db2.gz OORIJTQWWMDOHQ-ZHACJKMWSA-N 0 0 410.901 5.115 50 30 HKEARN O=C1c2ccccc2CC/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000013072285 558511614 /nfs/dbraw/zinc/51/16/14/558511614.db2.gz OVNXOJYQEMOJIH-SDNWHVSQSA-N 0 0 424.250 5.830 50 30 HKEARN COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1CN1CCCCC1 ZINC000013075262 560792372 /nfs/dbraw/zinc/79/23/72/560792372.db2.gz NMIMXMQCUFRLDR-CSKARUKUSA-N 0 0 404.337 5.884 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000013081078 558512521 /nfs/dbraw/zinc/51/25/21/558512521.db2.gz YFXRCFUGEPZMIY-QHCPKHFHSA-N 0 0 404.510 5.139 50 30 HKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013081080 558512493 /nfs/dbraw/zinc/51/24/93/558512493.db2.gz GZTKEOUMUSWXKF-QFIPXVFZSA-N 0 0 406.913 5.255 50 30 HKEARN CCc1cc(SCc2cn3cc(Cl)ccc3n2)n2c3ccccc3nc2c1C#N ZINC000013098417 569409062 /nfs/dbraw/zinc/40/90/62/569409062.db2.gz QTRGYKMOQZNPLI-UHFFFAOYSA-N 0 0 417.925 5.515 50 30 HKEARN Cc1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1F ZINC000013102576 569409059 /nfs/dbraw/zinc/40/90/59/569409059.db2.gz WLUZZCCOBDNHKQ-UHFFFAOYSA-N 0 0 417.465 5.359 50 30 HKEARN CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)cc1 ZINC000013108414 558514689 /nfs/dbraw/zinc/51/46/89/558514689.db2.gz SOWHRDMSYCTZHO-BUVRLJJBSA-N 0 0 419.326 5.580 50 30 HKEARN C=CCn1c(S[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000013115769 569409356 /nfs/dbraw/zinc/40/93/56/569409356.db2.gz PXYDBIAHSCTWFF-OWCLPIDISA-N 0 0 418.994 5.055 50 30 HKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2c[nH]c3ccccc23)C1=O ZINC000013119726 558517032 /nfs/dbraw/zinc/51/70/32/558517032.db2.gz JSKDZTNSHHRELF-WQRHYEAKSA-N 0 0 424.909 5.365 50 30 HKEARN CCOC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)=C(C)O ZINC000013122141 569409431 /nfs/dbraw/zinc/40/94/31/569409431.db2.gz ZCMPNKMTFTUUSX-CJLVFECKSA-N 0 0 416.502 5.732 50 30 HKEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1Cl)C1C(=O)c3ccccc3C1=N2 ZINC000013123325 569409472 /nfs/dbraw/zinc/40/94/72/569409472.db2.gz ZUWTUMOFLHZZRE-NRFANRHFSA-N 0 0 424.891 5.394 50 30 HKEARN Cc1c(Cc2ccccc2)sc(/N=C/c2c(O)ccc3ccccc32)c1C(N)=O ZINC000013126175 558518542 /nfs/dbraw/zinc/51/85/42/558518542.db2.gz KMOCCUDACMAAFO-VULFUBBASA-N 0 0 400.503 5.356 50 30 HKEARN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cccc(C#N)c3)c2c1C ZINC000013130630 569409668 /nfs/dbraw/zinc/40/96/68/569409668.db2.gz DILBMMMSIADDLI-UHFFFAOYSA-N 0 0 416.531 5.583 50 30 HKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nc3ccccc3s2)c1C#N ZINC000013131606 569211403 /nfs/dbraw/zinc/21/14/03/569211403.db2.gz GIABLYCFYSVQCW-UHFFFAOYSA-N 0 0 424.595 5.822 50 30 HKEARN Cc1cc(C)c(C#N)c(Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 ZINC000013133835 569409598 /nfs/dbraw/zinc/40/95/98/569409598.db2.gz ZWMFUYVFWREUKF-UHFFFAOYSA-N 0 0 417.925 5.622 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 ZINC000013134049 569409689 /nfs/dbraw/zinc/40/96/89/569409689.db2.gz IDPQIAAABUYMOZ-UHFFFAOYSA-N 0 0 422.893 5.158 50 30 HKEARN N#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc(Cl)c1Cl ZINC000013134137 526473023 /nfs/dbraw/zinc/47/30/23/526473023.db2.gz HNGSVPPYOBZGDE-FYWRMAATSA-N 0 0 423.299 6.099 50 30 HKEARN Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000013134871 569211516 /nfs/dbraw/zinc/21/15/16/569211516.db2.gz OQXUTJOBUYTIHI-UHFFFAOYSA-N 0 0 420.925 5.360 50 30 HKEARN CCOP(=O)(N=C(N[C@H](C)c1ccccc1)N[C@@H](C)c1ccccc1)OCC ZINC000013136373 569211491 /nfs/dbraw/zinc/21/14/91/569211491.db2.gz RWGSNFKLDMHYDQ-HDICACEKSA-N 0 0 403.463 5.225 50 30 HKEARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)n2c3ccccc3nc2c1C#N ZINC000013137214 569409709 /nfs/dbraw/zinc/40/97/09/569409709.db2.gz BRJRJDOWNNEVRU-UHFFFAOYSA-N 0 0 420.925 5.360 50 30 HKEARN Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000013139209 569357064 /nfs/dbraw/zinc/35/70/64/569357064.db2.gz QQBKZPLGKBYNRX-JWGHXIQMSA-N 0 0 404.558 5.074 50 30 HKEARN CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1cccc2cccnc21 ZINC000013142952 519354560 /nfs/dbraw/zinc/35/45/60/519354560.db2.gz CEYLDTRPOARDMD-RELWKKBWSA-N 0 0 400.301 5.104 50 30 HKEARN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C ZINC000013145005 569357083 /nfs/dbraw/zinc/35/70/83/569357083.db2.gz HYWJWQQIDDGRNG-ZDXAOHDNSA-N 0 0 404.558 5.248 50 30 biogenic HKEARN Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)cc1Cl ZINC000013146406 569409837 /nfs/dbraw/zinc/40/98/37/569409837.db2.gz IDHQJVDBFZNTBG-UHFFFAOYSA-N 0 0 420.925 5.360 50 30 HKEARN C=CCSc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 ZINC000013147776 569410045 /nfs/dbraw/zinc/41/00/45/569410045.db2.gz MHGQVCJWAACLJQ-UHFFFAOYSA-N 0 0 423.519 5.394 50 30 HKEARN CCCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000013148421 569043593 /nfs/dbraw/zinc/04/35/93/569043593.db2.gz XKNSSFDPXBKJRM-RUDMXATFSA-N 0 0 420.259 5.051 50 30 HKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2ccc(F)c(Cl)c2)c1C#N ZINC000013148538 569409975 /nfs/dbraw/zinc/40/99/75/569409975.db2.gz SGCINWZZCLAUAB-UHFFFAOYSA-N 0 0 417.893 5.141 50 30 HKEARN CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC ZINC000013148951 520617851 /nfs/dbraw/zinc/61/78/51/520617851.db2.gz VMEISCFYQKLPKC-BJMVGYQFSA-N 0 0 420.259 5.051 50 30 HKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3cccs3)nn1-c1ccccc1)CCC2 ZINC000013149906 569409944 /nfs/dbraw/zinc/40/99/44/569409944.db2.gz BHFAJLXYPBGQQG-UHFFFAOYSA-N 0 0 416.531 5.275 50 30 HKEARN C[C@@](Cc1nc2ccccc2s1)(C(=O)OCc1ccc(C#N)cc1)c1ccccc1 ZINC000013150382 569410071 /nfs/dbraw/zinc/41/00/71/569410071.db2.gz RGMNTPXBIOOJMY-VWLOTQADSA-N 0 0 412.514 5.412 50 30 HKEARN C[C@](Cc1nc2ccccc2s1)(C(=O)OCc1ccc(C#N)cc1)c1ccccc1 ZINC000013150383 569410076 /nfs/dbraw/zinc/41/00/76/569410076.db2.gz RGMNTPXBIOOJMY-RUZDIDTESA-N 0 0 412.514 5.412 50 30 HKEARN Cc1ccc(-c2nc(SCc3cccc(Cl)c3)c(C#N)c3c2CCCC3)cc1 ZINC000013161829 569410190 /nfs/dbraw/zinc/41/01/90/569410190.db2.gz WLPWUYFWIBYVLQ-UHFFFAOYSA-N 0 0 404.966 6.753 50 30 HKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000013174238 525396106 /nfs/dbraw/zinc/39/61/06/525396106.db2.gz QSQHAMSBLJELNE-NRFANRHFSA-N 0 0 409.526 5.517 50 30 HKEARN COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000013176677 569410302 /nfs/dbraw/zinc/41/03/02/569410302.db2.gz IQIMBLAOLLAALP-OAQYLSRUSA-N 0 0 409.526 5.517 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1C(F)(F)F ZINC000013204115 520258163 /nfs/dbraw/zinc/25/81/63/520258163.db2.gz TWCBSNPZZNQOQQ-IBGZPJMESA-N 0 0 423.434 5.643 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000013207835 558525693 /nfs/dbraw/zinc/52/56/93/558525693.db2.gz PGNIYGJFJMOOFI-FQEVSTJZSA-N 0 0 407.828 5.262 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000013207854 558525710 /nfs/dbraw/zinc/52/57/10/558525710.db2.gz PGNIYGJFJMOOFI-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013218490 558526235 /nfs/dbraw/zinc/52/62/35/558526235.db2.gz OYNWYKQNILTAEM-LJQANCHMSA-N 0 0 424.327 5.931 50 30 HKEARN C=CCn1cc(OC(=O)CC(C)C)c2c3nc4ccccc4n3c(CC(C)C)nc21 ZINC000013238118 568998804 /nfs/dbraw/zinc/99/88/04/568998804.db2.gz RTVYFQKBBJNNCK-UHFFFAOYSA-N 0 0 404.514 5.173 50 30 HKEARN CC(C)(C)c1cc(/C=N/c2ccc3c(c2)ncn3C(C)(C)C)cc(C(C)(C)C)c1O ZINC000013282352 569410435 /nfs/dbraw/zinc/41/04/35/569410435.db2.gz XIMIRGQVYZJZEA-JFLMPSFJSA-N 0 0 405.586 6.843 50 30 HKEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000013282757 558528916 /nfs/dbraw/zinc/52/89/16/558528916.db2.gz RUFCDEOQWGOUPO-ZDUSSCGKSA-N 0 0 414.515 5.402 50 30 HKEARN C=CCSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 ZINC000013284504 568998873 /nfs/dbraw/zinc/99/88/73/568998873.db2.gz ZXAPLZDNUCNQBB-UHFFFAOYSA-N 0 0 415.547 5.321 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000013285547 520207097 /nfs/dbraw/zinc/20/70/97/520207097.db2.gz RLQNNKBFGFHCCB-SFHVURJKSA-N 0 0 422.352 5.551 50 30 HKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000013285548 520206541 /nfs/dbraw/zinc/20/65/41/520206541.db2.gz RLQNNKBFGFHCCB-GOSISDBHSA-N 0 0 422.352 5.551 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000013285562 520814228 /nfs/dbraw/zinc/81/42/28/520814228.db2.gz LJVFNUIAJSQJQW-GOSISDBHSA-N 0 0 422.352 5.549 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000013285563 558529395 /nfs/dbraw/zinc/52/93/95/558529395.db2.gz LJVFNUIAJSQJQW-SFHVURJKSA-N 0 0 422.352 5.549 50 30 HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C#N ZINC000013286037 558529451 /nfs/dbraw/zinc/52/94/51/558529451.db2.gz OGSGPVQWYGYXQC-RAWMCFOBSA-N 0 0 414.387 5.133 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\[C@@H](C)c1ccccc1 ZINC000013286331 558529419 /nfs/dbraw/zinc/52/94/19/558529419.db2.gz PQVQKEMBEVUXHP-WNDXJDGESA-N 0 0 423.607 5.890 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCc1ccccc1 ZINC000013286332 558529455 /nfs/dbraw/zinc/52/94/55/558529455.db2.gz IRMNTBQXFYYSRW-ZMPCKTLKSA-N 0 0 423.607 5.372 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1 ZINC000013286412 521512616 /nfs/dbraw/zinc/51/26/16/521512616.db2.gz DSNDJPSLXQUPOJ-HSHHTGOPSA-N 0 0 401.944 5.334 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000013286413 558529372 /nfs/dbraw/zinc/52/93/72/558529372.db2.gz XREXMSNLJMEALJ-MGXYOJEMSA-N 0 0 415.971 5.642 50 30 HKEARN CN(C)c1ccc(/C=N/N=C2\CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000013286592 558529387 /nfs/dbraw/zinc/52/93/87/558529387.db2.gz SRQNOVRXHQWKQS-UROKKCKISA-N 0 0 412.581 6.441 50 30 HKEARN C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000013294281 526012613 /nfs/dbraw/zinc/01/26/13/526012613.db2.gz SRSFIVARBVIBSL-AUQXIXNCSA-N 0 0 411.571 5.479 50 30 HKEARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000013294282 526010527 /nfs/dbraw/zinc/01/05/27/526010527.db2.gz SRSFIVARBVIBSL-NPQOUYBPSA-N 0 0 411.571 5.479 50 30 HKEARN CC(C)(C)[C@@]1(c2ccccc2)NC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000013301840 558529676 /nfs/dbraw/zinc/52/96/76/558529676.db2.gz POISUUDKLNMBFV-RITGCEONSA-N 0 0 415.562 6.536 50 30 HKEARN CC(C)(C)[C@]1(c2ccccc2)NC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000013301842 558529682 /nfs/dbraw/zinc/52/96/82/558529682.db2.gz POISUUDKLNMBFV-SPICPHANSA-N 0 0 415.562 6.536 50 30 HKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ncnc2sc3c(c21)CCCC3 ZINC000013302487 558529709 /nfs/dbraw/zinc/52/97/09/558529709.db2.gz JFJQADQFIAOZMS-OPEKNORGSA-N 0 0 422.945 5.164 50 30 HKEARN O=C1/C(=C/c2ccccc2OC(F)F)CCCC/C1=C\c1ccccc1OC(F)F ZINC000013303136 569410565 /nfs/dbraw/zinc/41/05/65/569410565.db2.gz IRXPXLQZVVUOLW-HBKJEHTGSA-N 0 0 420.402 6.500 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000013305902 558529734 /nfs/dbraw/zinc/52/97/34/558529734.db2.gz PBDMZGCAFNAXMX-AWQFTUOYSA-N 0 0 421.196 5.516 50 30 HKEARN C=CCn1c(CCc2ccccc2)nnc1SCc1csc(-c2ccccc2)n1 ZINC000013320098 569254818 /nfs/dbraw/zinc/25/48/18/569254818.db2.gz HFKXTNDDLLSHHK-UHFFFAOYSA-N 0 0 418.591 5.665 50 30 HKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013320099 569254809 /nfs/dbraw/zinc/25/48/09/569254809.db2.gz AWQKAWKOQFMIJT-CQSZACIVSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013320100 569254730 /nfs/dbraw/zinc/25/47/30/569254730.db2.gz AWQKAWKOQFMIJT-AWEZNQCLSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000013323377 569254863 /nfs/dbraw/zinc/25/48/63/569254863.db2.gz DNCMZDBJEBFUJE-UHFFFAOYSA-N 0 0 405.567 6.053 50 30 HKEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000013323379 519241615 /nfs/dbraw/zinc/24/16/15/519241615.db2.gz UDUNVVJPDWXBDZ-UHFFFAOYSA-N 0 0 405.567 6.053 50 30 HKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1[C@@H](C)Oc1ccc(C)cc1 ZINC000013325746 519237748 /nfs/dbraw/zinc/23/77/48/519237748.db2.gz APWIXHIUXZGCPC-OAHLLOKOSA-N 0 0 417.937 5.997 50 30 HKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1[C@H](C)Oc1ccc(C)cc1 ZINC000013325749 569255039 /nfs/dbraw/zinc/25/50/39/569255039.db2.gz APWIXHIUXZGCPC-HNNXBMFYSA-N 0 0 417.937 5.997 50 30 HKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(N(CC)CC)cc1 ZINC000013325751 569255031 /nfs/dbraw/zinc/25/50/31/569255031.db2.gz HPYCUPNHZSGECV-UHFFFAOYSA-N 0 0 412.990 5.923 50 30 HKEARN C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccccn1 ZINC000013325855 519246785 /nfs/dbraw/zinc/24/67/85/519246785.db2.gz MWRAOCDDHFGIGL-UHFFFAOYSA-N 0 0 405.552 5.250 50 30 HKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc(C)c1CC ZINC000013325937 519236933 /nfs/dbraw/zinc/23/69/33/519236933.db2.gz GVYMHFIZMLCVRC-UHFFFAOYSA-N 0 0 407.967 6.148 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013362050 568999042 /nfs/dbraw/zinc/99/90/42/568999042.db2.gz DHFIHOFAHJLYDH-QHCPKHFHSA-N 0 0 419.484 5.025 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013362052 568999033 /nfs/dbraw/zinc/99/90/33/568999033.db2.gz DHFIHOFAHJLYDH-HSZRJFAPSA-N 0 0 419.484 5.025 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000013369908 558530770 /nfs/dbraw/zinc/53/07/70/558530770.db2.gz PUEIBADXJGGASE-FOKLQQMPSA-N 0 0 408.255 5.417 50 30 HKEARN CC[C@@H](C)SC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000013396780 569413327 /nfs/dbraw/zinc/41/33/27/569413327.db2.gz NAWBRGGDNDMJDL-GOZCUUMYSA-N 0 0 412.773 7.038 50 30 HKEARN CC[C@H](C)SC1=Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000013396784 569413328 /nfs/dbraw/zinc/41/33/28/569413328.db2.gz NAWBRGGDNDMJDL-WVRKONLVSA-N 0 0 412.773 7.038 50 30 HKEARN Cc1ccc2c(c1)/C(=N\c1ccc(F)cc1)C(=O)N2Cc1c(Cl)cccc1Cl ZINC000013397267 569413339 /nfs/dbraw/zinc/41/33/39/569413339.db2.gz SIKLZPJZHWEDIW-YYADALCUSA-N 0 0 413.279 6.109 50 30 HKEARN FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2ccccc2)c1 ZINC000013397362 569413320 /nfs/dbraw/zinc/41/33/20/569413320.db2.gz JSCKRKPFJSWJDN-RRAHZORUSA-N 0 0 411.452 6.499 50 30 HKEARN CSC(=Nc1ccc(/C=C/c2ccc(N=C(SC)SC)cc2)cc1)SC ZINC000013409716 525286551 /nfs/dbraw/zinc/28/65/51/525286551.db2.gz CBTZRSAFQVVSGD-AATRIKPKSA-N 0 0 418.678 7.284 50 30 HKEARN CC[C@@H](C)C1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C([C@@H](C)CC)C1=O ZINC000013465717 558533285 /nfs/dbraw/zinc/53/32/85/558533285.db2.gz IBKCFAGOOSRAMP-CALCHBBNSA-N 0 0 405.542 5.085 50 30 HKEARN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(C#CC(C)(C)O)s1 ZINC000013466430 558533477 /nfs/dbraw/zinc/53/34/77/558533477.db2.gz RPJMAVCDPZNAGC-FOKLQQMPSA-N 0 0 400.853 5.379 50 30 HKEARN CC(C)(C)c1cc2c(c(O)c1O)OC(C)(C)CC2=NNc1ccc(C(F)(F)F)cc1 ZINC000013469028 558533655 /nfs/dbraw/zinc/53/36/55/558533655.db2.gz MULUIACPKHHNDQ-JVWAILMASA-N 0 0 422.447 5.791 50 30 HKEARN CC(C)(C)c1cc2c(c(O)c1O)OC(C)(C)CC2=NNc1c(Cl)cccc1Cl ZINC000013469030 558533671 /nfs/dbraw/zinc/53/36/71/558533671.db2.gz GZOICZXTNMBKKX-BUVRLJJBSA-N 0 0 423.340 6.079 50 30 HKEARN COc1ccc2cc(C(C)=NOC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 ZINC000013469102 558533666 /nfs/dbraw/zinc/53/36/66/558533666.db2.gz ZSGQOZJZWKTVQJ-WYMPLXKRSA-N 0 0 403.265 6.128 50 30 HKEARN CC/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2F)cc1 ZINC000013469133 558533695 /nfs/dbraw/zinc/53/36/95/558533695.db2.gz ZYXODNSKHPZLDP-SGWCAAJKSA-N 0 0 415.386 6.483 50 30 HKEARN CC/C(=N\OC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2F)cc1 ZINC000013469137 558533734 /nfs/dbraw/zinc/53/37/34/558533734.db2.gz XLWKKOUWFHSUJL-XLVZBRSZSA-N 0 0 419.540 6.757 50 30 HKEARN C/C(=N\NC(=S)NC(C)(C)C)c1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC000013469869 558533689 /nfs/dbraw/zinc/53/36/89/558533689.db2.gz NVFCESNENXWBJB-FOKLQQMPSA-N 0 0 411.358 5.167 50 30 HKEARN CCn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c(C)n1 ZINC000013470736 569255670 /nfs/dbraw/zinc/25/56/70/569255670.db2.gz GSVVJZATHITTBT-AXQRCUKISA-N 0 0 404.558 5.248 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000013471518 558510061 /nfs/dbraw/zinc/51/00/61/558510061.db2.gz FYSVTOIULMTRSN-HJOGWXRNSA-N 0 0 421.525 5.341 50 30 HKEARN Cc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@]23CCOC(C)(C)C3)c1 ZINC000013471595 558533927 /nfs/dbraw/zinc/53/39/27/558533927.db2.gz VXIZFBJYWYNFEU-XMMPIXPASA-N 0 0 407.583 5.364 50 30 HKEARN C=CCN1C(=O)/C(=C/C=C2\Oc3ccc(-c4ccccc4)cc3N2CC)SC1=S ZINC000013476541 569255665 /nfs/dbraw/zinc/25/56/65/569255665.db2.gz HYXGOFLHKDYZQF-FDYZEBBJSA-N 0 0 420.559 5.344 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000013476989 558534116 /nfs/dbraw/zinc/53/41/16/558534116.db2.gz YZGDODQKPCONMY-WOJGMQOQSA-N 0 0 415.301 6.145 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 ZINC000013482281 558534108 /nfs/dbraw/zinc/53/41/08/558534108.db2.gz BPBWXYUJJPCQEA-VSUDMRMVSA-N 0 0 404.510 5.041 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 ZINC000013482282 558534249 /nfs/dbraw/zinc/53/42/49/558534249.db2.gz BPBWXYUJJPCQEA-LDLFBNOTSA-N 0 0 404.510 5.041 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)Nc1ccc(Cl)cc1 ZINC000013482295 558534252 /nfs/dbraw/zinc/53/42/52/558534252.db2.gz GEAZKGMRRIJGPK-UHFFFAOYSA-N 0 0 418.828 5.077 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 ZINC000013482341 558534416 /nfs/dbraw/zinc/53/44/16/558534416.db2.gz JFDHLSJSCLORCK-BQNIGPCOSA-N 0 0 412.489 5.071 50 30 HKEARN COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1cccc(C)c1C ZINC000013496593 558535072 /nfs/dbraw/zinc/53/50/72/558535072.db2.gz KUSYEZKMIVZFKA-MFKUBSTISA-N 0 0 419.550 5.623 50 30 HKEARN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 ZINC000013512027 558535696 /nfs/dbraw/zinc/53/56/96/558535696.db2.gz OLGSBBOOFRWAAW-BJKOFHAPSA-N 0 0 422.864 5.108 50 30 HKEARN O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(F)ccc1OCc1ccccc1 ZINC000013512759 558535842 /nfs/dbraw/zinc/53/58/42/558535842.db2.gz DRLSNGIVEZIPHG-SOFGYWHQSA-N 0 0 424.855 5.821 50 30 HKEARN COc1ccc([NH+]=C([S-])NN=Cc2cccn2Cc2ccc(F)cc2Cl)cc1 ZINC000013521063 558835911 /nfs/dbraw/zinc/83/59/11/558835911.db2.gz YVXHVLBOGQOTLO-FSJBWODESA-N 0 0 416.909 5.069 50 30 HKEARN COc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000013536820 558537253 /nfs/dbraw/zinc/53/72/53/558537253.db2.gz MQCKFJOPOLHVCH-YFGQCYJXSA-N 0 0 422.550 5.641 50 30 HKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O ZINC000013539681 558842508 /nfs/dbraw/zinc/84/25/08/558842508.db2.gz OEZWBUIZTOXEDM-QQAHGDJHSA-N 0 0 414.432 5.728 50 30 HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O ZINC000013539684 558842483 /nfs/dbraw/zinc/84/24/83/558842483.db2.gz OEZWBUIZTOXEDM-UOKWBDCBSA-N 0 0 414.432 5.728 50 30 HKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O ZINC000013540119 558842497 /nfs/dbraw/zinc/84/24/97/558842497.db2.gz XUTODODFEYBXRN-QQAHGDJHSA-N 0 0 414.432 5.728 50 30 HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O ZINC000013540121 558842525 /nfs/dbraw/zinc/84/25/25/558842525.db2.gz XUTODODFEYBXRN-UOKWBDCBSA-N 0 0 414.432 5.728 50 30 HKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013543206 558537694 /nfs/dbraw/zinc/53/76/94/558537694.db2.gz IOIZWEJGGCZDOL-RQDYSCIWSA-N 0 0 400.647 6.568 50 30 endogenous,in-man HKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000013546934 558538094 /nfs/dbraw/zinc/53/80/94/558538094.db2.gz QXHWQTXDXQAVEQ-CUHSDLGESA-N 0 0 414.530 5.542 50 30 HKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(Br)cc3)C(=O)N2C)cc1C ZINC000013546951 558538098 /nfs/dbraw/zinc/53/80/98/558538098.db2.gz IFHMQQVQHQUZLT-WQZDFCHPSA-N 0 0 401.329 5.300 50 30 HKEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 ZINC000013548934 558538533 /nfs/dbraw/zinc/53/85/33/558538533.db2.gz SHAOANQVYWOLSZ-BUVRLJJBSA-N 0 0 421.570 5.369 50 30 HKEARN Oc1c(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)ccc2ccccc21 ZINC000013550161 558843184 /nfs/dbraw/zinc/84/31/84/558843184.db2.gz FNQCORXBCKAEMB-JFLMPSFJSA-N 0 0 424.891 6.255 50 30 HKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000013550170 558538751 /nfs/dbraw/zinc/53/87/51/558538751.db2.gz LSTKEPUYCJGILS-WMOWQXFYSA-N 0 0 416.502 5.512 50 30 HKEARN O=C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2O/C1=C\c1cccs1 ZINC000013551193 569061562 /nfs/dbraw/zinc/06/15/62/569061562.db2.gz RCHMLYZQBVTION-GRSHGNNSSA-N 0 0 403.286 6.250 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000013552234 569000290 /nfs/dbraw/zinc/00/02/90/569000290.db2.gz VYYKSGTTXDQBAW-RSXGOPAZSA-N 0 0 412.489 5.502 50 30 HKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000013552237 569000333 /nfs/dbraw/zinc/00/03/33/569000333.db2.gz VYYKSGTTXDQBAW-AOYPEHQESA-N 0 0 412.489 5.502 50 30 HKEARN Cc1ccc(C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)c2nc3ccccc3o2)cc1 ZINC000013552363 558539360 /nfs/dbraw/zinc/53/93/60/558539360.db2.gz JXZIRUBWCWVQKK-SFQUDFHCSA-N 0 0 408.284 6.867 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013552722 558843467 /nfs/dbraw/zinc/84/34/67/558843467.db2.gz UPFGHIIEFMGXHU-SZNDQCEHSA-N 0 0 424.859 5.439 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013552724 558843418 /nfs/dbraw/zinc/84/34/18/558843418.db2.gz UPFGHIIEFMGXHU-QKKBWIMNSA-N 0 0 424.859 5.439 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013552726 558843464 /nfs/dbraw/zinc/84/34/64/558843464.db2.gz UPFGHIIEFMGXHU-SPLOXXLWSA-N 0 0 424.859 5.439 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013552727 558843466 /nfs/dbraw/zinc/84/34/66/558843466.db2.gz UPFGHIIEFMGXHU-LHSJRXKWSA-N 0 0 424.859 5.439 50 30 HKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000013552826 558539630 /nfs/dbraw/zinc/53/96/30/558539630.db2.gz ZJSYEMLDQGNCQD-STZFKDTASA-N 0 0 417.436 5.148 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000013563508 569000337 /nfs/dbraw/zinc/00/03/37/569000337.db2.gz KOIALBQHTIJNMG-LDADJPATSA-N 0 0 401.940 5.306 50 30 HKEARN COc1ccc(/N=C2/c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000013564556 558540726 /nfs/dbraw/zinc/54/07/26/558540726.db2.gz ILYUAJGLBOKWPM-DAFNUICNSA-N 0 0 411.288 5.670 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc1OC ZINC000013569692 558541708 /nfs/dbraw/zinc/54/17/08/558541708.db2.gz NQMJMIPXAVCSPE-LGMDPLHJSA-N 0 0 403.409 5.408 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000013570339 558844370 /nfs/dbraw/zinc/84/43/70/558844370.db2.gz PVZDNEXKHNCHNC-VFNWGFHPSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000013570340 558844443 /nfs/dbraw/zinc/84/44/43/558844443.db2.gz PVZDNEXKHNCHNC-BTYIYWSLSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000013570341 558844406 /nfs/dbraw/zinc/84/44/06/558844406.db2.gz PVZDNEXKHNCHNC-QVKFZJNVSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000013570342 558844445 /nfs/dbraw/zinc/84/44/45/558844445.db2.gz PVZDNEXKHNCHNC-YCRPNKLZSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1 ZINC000013570832 558844666 /nfs/dbraw/zinc/84/46/66/558844666.db2.gz SYPCGUBSYTYLEC-QHCPKHFHSA-N 0 0 424.456 5.228 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1 ZINC000013570833 558844675 /nfs/dbraw/zinc/84/46/75/558844675.db2.gz SYPCGUBSYTYLEC-HSZRJFAPSA-N 0 0 424.456 5.228 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 ZINC000013574000 569256132 /nfs/dbraw/zinc/25/61/32/569256132.db2.gz AOVXKKQYPIUNSJ-QGZVFWFLSA-N 0 0 409.511 5.366 50 30 HKEARN CCC(C)(C)[C@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 ZINC000013574006 569256130 /nfs/dbraw/zinc/25/61/30/569256130.db2.gz AOVXKKQYPIUNSJ-KRWDZBQOSA-N 0 0 409.511 5.366 50 30 HKEARN O=C1C(=NN=c2[nH]c(-c3ccccc3)cs2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013574634 571307995 /nfs/dbraw/zinc/30/79/95/571307995.db2.gz WQADAEJRFNYVKN-ROMGYVFFSA-N 0 0 423.501 5.029 50 30 HKEARN Cc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 ZINC000013574979 569256174 /nfs/dbraw/zinc/25/61/74/569256174.db2.gz VEQFEFJMZGSQCF-PKNBQFBNSA-N 0 0 419.531 5.397 50 30 HKEARN N#Cc1c(Sc2ncccc2[N+](=O)[O-])nc(-c2cccs2)cc1C(F)(F)F ZINC000013575377 569256160 /nfs/dbraw/zinc/25/61/60/569256160.db2.gz KXOPFWNMLCZCHX-UHFFFAOYSA-N 0 0 408.386 5.155 50 30 HKEARN N#Cc1c(Sc2ncccc2[N+](=O)[O-])nc(-c2ccccc2)cc1C(F)(F)F ZINC000013575381 569256125 /nfs/dbraw/zinc/25/61/25/569256125.db2.gz GENSESQMUOXPJC-UHFFFAOYSA-N 0 0 402.357 5.093 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Sc1ncccc1[N+](=O)[O-] ZINC000013575389 569256176 /nfs/dbraw/zinc/25/61/76/569256176.db2.gz YKIUUCKNXCUVRC-UHFFFAOYSA-N 0 0 410.458 5.742 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1Sc1ncccc1[N+](=O)[O-] ZINC000013575698 569256195 /nfs/dbraw/zinc/25/61/95/569256195.db2.gz BKYGUDNEJIJASR-UHFFFAOYSA-N 0 0 403.250 5.381 50 30 HKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ncccc1[N+](=O)[O-] ZINC000013575817 569256165 /nfs/dbraw/zinc/25/61/65/569256165.db2.gz IBNDKYOWBZMGLA-UHFFFAOYSA-N 0 0 403.250 5.381 50 30 HKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000013576463 558844099 /nfs/dbraw/zinc/84/40/99/558844099.db2.gz HFYALIHONCBVRS-WQRHYEAKSA-N 0 0 415.301 6.145 50 30 HKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000013576723 558543656 /nfs/dbraw/zinc/54/36/56/558543656.db2.gz HQBJGKQETUVJFM-YWROOUKNSA-N 0 0 400.503 5.818 50 30 HKEARN CC(C)(Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cccc(Cl)c1Cl ZINC000013578798 569256256 /nfs/dbraw/zinc/25/62/56/569256256.db2.gz DYXLCVJFIXMJCG-UHFFFAOYSA-N 0 0 420.365 5.648 50 30 HKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc2ccccc21 ZINC000013590108 558846254 /nfs/dbraw/zinc/84/62/54/558846254.db2.gz KGTZPGQQVINWBU-GOSISDBHSA-N 0 0 411.324 5.064 50 30 HKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc2ccccc21 ZINC000013590109 558846300 /nfs/dbraw/zinc/84/63/00/558846300.db2.gz KGTZPGQQVINWBU-SFHVURJKSA-N 0 0 411.324 5.064 50 30 HKEARN N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1N1CCCCC1 ZINC000013590163 558845868 /nfs/dbraw/zinc/84/58/68/558845868.db2.gz DAYZEZATCYOMGS-UHFFFAOYSA-N 0 0 418.338 6.040 50 30 HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000013590284 558545844 /nfs/dbraw/zinc/54/58/44/558545844.db2.gz WFIMRMKSSXICDO-GVAUOCQISA-N 0 0 419.459 5.110 50 30 HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000013590286 558545931 /nfs/dbraw/zinc/54/59/31/558545931.db2.gz WFIMRMKSSXICDO-ISJGIBHGSA-N 0 0 419.459 5.110 50 30 HKEARN O=C1/C(=C/c2cccc(F)c2)CN(Cc2ccccc2)C/C1=C/c1cccc(F)c1 ZINC000013590317 558545838 /nfs/dbraw/zinc/54/58/38/558545838.db2.gz SJDWRYZWCMBXBE-SEKXJNOLSA-N 0 0 401.456 5.517 50 30 HKEARN O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1cccc2ccccc21 ZINC000013596083 558547140 /nfs/dbraw/zinc/54/71/40/558547140.db2.gz KPZVITNIDHLFHL-ICIUVLAYSA-N 0 0 409.514 5.459 50 30 HKEARN C[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000013596377 558547156 /nfs/dbraw/zinc/54/71/56/558547156.db2.gz JUTYACOWFIRTEB-ZSIROEOLSA-N 0 0 423.541 5.847 50 30 HKEARN O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccccc1)C(=O)c1ccccc1 ZINC000013601781 558547820 /nfs/dbraw/zinc/54/78/20/558547820.db2.gz KYFHFSDDSSLPNX-XHPQRKPJSA-N 0 0 412.276 5.283 50 30 HKEARN CCOC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl ZINC000013602610 558846713 /nfs/dbraw/zinc/84/67/13/558846713.db2.gz KPRUDIUEEFWLGJ-NDENLUEZSA-N 0 0 410.878 6.106 50 30 HKEARN Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013617956 558549880 /nfs/dbraw/zinc/54/98/80/558549880.db2.gz UTSZJEVFQRDXOV-XYGWBWBKSA-N 0 0 422.505 6.697 50 30 HKEARN Oc1c(/C=N/c2ccc(Br)cn2)cc(Br)c2ccccc12 ZINC000013618376 558550107 /nfs/dbraw/zinc/55/01/07/558550107.db2.gz ULWORVHIXOCNIA-UFWORHAWSA-N 0 0 406.077 5.216 50 30 HKEARN COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(C)c(C)c3)ccc2C1=O ZINC000013623467 558848295 /nfs/dbraw/zinc/84/82/95/558848295.db2.gz PFYZLZGAKNFKRJ-MXAYSNPKSA-N 0 0 414.457 5.190 50 30 HKEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000013625288 558848229 /nfs/dbraw/zinc/84/82/29/558848229.db2.gz FPPBQQCWEDOEBS-UHFFFAOYSA-N 0 0 408.797 5.342 50 30 HKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000013626659 558848663 /nfs/dbraw/zinc/84/86/63/558848663.db2.gz ZOEXJVJDLATOPT-WSHPORRNSA-N 0 0 402.833 5.575 50 30 HKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000013629763 569061551 /nfs/dbraw/zinc/06/15/51/569061551.db2.gz ITVYNTDIBMJVGM-TXTIWSOFSA-N 0 0 402.833 5.575 50 30 HKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000013629976 569061542 /nfs/dbraw/zinc/06/15/42/569061542.db2.gz KCAOMCSGHNNFQA-HHLUSPNUSA-N 0 0 402.833 5.575 50 30 HKEARN FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 ZINC000013636254 558554434 /nfs/dbraw/zinc/55/44/34/558554434.db2.gz YHEVAESBVDQASK-UHFFFAOYSA-N 0 0 400.519 6.489 50 30 HKEARN Cc1cc(C(F)(F)F)nc(SCc2cn3cc(Cl)cc(Cl)c3n2)c1C#N ZINC000013640448 558849129 /nfs/dbraw/zinc/84/91/29/558849129.db2.gz VNIAHJQOWJDTHG-UHFFFAOYSA-N 0 0 417.243 5.527 50 30 HKEARN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccc(C)cc1 ZINC000013644782 558556378 /nfs/dbraw/zinc/55/63/78/558556378.db2.gz BZAMKGXWFWUUHO-LSHDLFTRSA-N 0 0 419.337 5.830 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc1 ZINC000013646076 519014400 /nfs/dbraw/zinc/01/44/00/519014400.db2.gz PVCOVDZULUDBHH-YVLHZVERSA-N 0 0 405.306 5.450 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1 ZINC000013646289 569000727 /nfs/dbraw/zinc/00/07/27/569000727.db2.gz DHLZMDHRNKCFMN-STZFKDTASA-N 0 0 403.528 5.810 50 30 HKEARN O=S(=O)(Oc1ccc2ccccc2c1/C=N\CCc1ccccc1)c1ccccc1 ZINC000013646333 558556764 /nfs/dbraw/zinc/55/67/64/558556764.db2.gz HKOFATUWLZCHNR-XHPQRKPJSA-N 0 0 415.514 5.269 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000013646840 558557042 /nfs/dbraw/zinc/55/70/42/558557042.db2.gz UNKZUWQHQHKIIQ-WJDWOHSUSA-N 0 0 405.306 5.450 50 30 HKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 ZINC000013653591 558850785 /nfs/dbraw/zinc/85/07/85/558850785.db2.gz TZMBZXSRRNWVJU-HAHDFKILSA-N 0 0 404.506 6.086 50 30 HKEARN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000013654049 558851142 /nfs/dbraw/zinc/85/11/42/558851142.db2.gz YUNMJVNLVISFQA-IHBCXDABSA-N 0 0 417.505 5.541 50 30 HKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2)CC(C)C ZINC000013654091 558558300 /nfs/dbraw/zinc/55/83/00/558558300.db2.gz QBECAIXPMOKKLY-JJFYIABZSA-N 0 0 413.945 5.776 50 30 HKEARN O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)OCc1ccccc1 ZINC000013654195 558851100 /nfs/dbraw/zinc/85/11/00/558851100.db2.gz CTUALTFNXNWHTO-UUYOSTAYSA-N 0 0 420.848 5.078 50 30 HKEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)C1 ZINC000013654582 558851075 /nfs/dbraw/zinc/85/10/75/558851075.db2.gz IMNSCRNQWOBIAR-IHBCXDABSA-N 0 0 403.478 5.233 50 30 HKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2)CC(C)C ZINC000013655308 558851287 /nfs/dbraw/zinc/85/12/87/558851287.db2.gz OXMRDVYBLCAZEH-MSXFZWOLSA-N 0 0 419.521 5.869 50 30 HKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Cl)c1)O2)CC(C)C ZINC000013655447 558851282 /nfs/dbraw/zinc/85/12/82/558851282.db2.gz ZWSRDASRRXWQSK-JJFYIABZSA-N 0 0 413.945 5.776 50 30 HKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 ZINC000013655506 521935672 /nfs/dbraw/zinc/93/56/72/521935672.db2.gz AUVKLOJDYSLJQU-WWFWFNCGSA-N 0 0 412.441 5.182 50 30 HKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1cccs1 ZINC000013655569 527122480 /nfs/dbraw/zinc/12/24/80/527122480.db2.gz UXDWYOZJCGHEFZ-GRSHGNNSSA-N 0 0 403.286 6.250 50 30 HKEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000013655681 518795841 /nfs/dbraw/zinc/79/58/41/518795841.db2.gz DCJTZMAEAGUEHZ-NVMNQCDNSA-N 0 0 421.276 5.330 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000013680957 558854494 /nfs/dbraw/zinc/85/44/94/558854494.db2.gz SXQKJAUHERFDKZ-UCQKPKSFSA-N 0 0 423.509 5.139 50 30 HKEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000013681363 558854617 /nfs/dbraw/zinc/85/46/17/558854617.db2.gz CJXWUSFJAOKMRV-YHRJSEKKSA-N 0 0 415.892 5.279 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1 ZINC000013681433 558854637 /nfs/dbraw/zinc/85/46/37/558854637.db2.gz POAHUOCYHXRZFD-QIRWMKMZSA-N 0 0 414.457 5.412 50 30 HKEARN COc1cccc(C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)c2nc3ccccc3o2)c1 ZINC000013681755 558567059 /nfs/dbraw/zinc/56/70/59/558567059.db2.gz NISSZKNMXZFBSD-VULIGXMUSA-N 0 0 423.468 5.967 50 30 HKEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000013682046 558854704 /nfs/dbraw/zinc/85/47/04/558854704.db2.gz CBRAYPBMHXLXPN-LSCVHKIXSA-N 0 0 421.276 5.330 50 30 HKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000013682070 558567205 /nfs/dbraw/zinc/56/72/05/558567205.db2.gz DXPPAEMYKRCBQW-GRSHGNNSSA-N 0 0 406.309 5.547 50 30 HKEARN COc1cccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 ZINC000013682421 558567431 /nfs/dbraw/zinc/56/74/31/558567431.db2.gz GYAQLGUUWFQNMZ-JXAWBTAJSA-N 0 0 400.390 5.168 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 ZINC000013682459 558854573 /nfs/dbraw/zinc/85/45/73/558854573.db2.gz JOHILLVRZUKSPG-NDENLUEZSA-N 0 0 420.336 5.937 50 30 HKEARN CCOC(=O)C1=C(CC)Nc2ccccc2NC1=NC(=O)c1oc2ccccc2c1C ZINC000013684152 520507427 /nfs/dbraw/zinc/50/74/27/520507427.db2.gz VVSBIGAAVCDIIT-UHFFFAOYSA-N 0 0 417.465 5.045 50 30 HKEARN CCCCOc1ccc(-c2c(C#N)c(=S)[nH]c(C)c2C(=O)Nc2ccccc2)cc1 ZINC000013685366 569256912 /nfs/dbraw/zinc/25/69/12/569256912.db2.gz NRIWBQWXWMBSOW-UHFFFAOYSA-N 0 0 417.534 5.649 50 30 HKEARN C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccc(C)cc1 ZINC000013689606 569000405 /nfs/dbraw/zinc/00/04/05/569000405.db2.gz OTAXUTZLCGDBLT-XMMPIXPASA-N 0 0 420.578 6.503 50 30 HKEARN C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccc(C)cc1 ZINC000013689607 518632413 /nfs/dbraw/zinc/63/24/13/518632413.db2.gz OTAXUTZLCGDBLT-DEOSSOPVSA-N 0 0 420.578 6.503 50 30 HKEARN C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000013690143 569000552 /nfs/dbraw/zinc/00/05/52/569000552.db2.gz VNPFNJUKPAQCJP-HSZRJFAPSA-N 0 0 424.541 6.334 50 30 HKEARN C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1 ZINC000013690144 569000379 /nfs/dbraw/zinc/00/03/79/569000379.db2.gz VNPFNJUKPAQCJP-QHCPKHFHSA-N 0 0 424.541 6.334 50 30 HKEARN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000013690996 558855746 /nfs/dbraw/zinc/85/57/46/558855746.db2.gz JRIJSYBCMCCOMD-XKZIYDEJSA-N 0 0 403.478 5.295 50 30 HKEARN Oc1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013714001 558577796 /nfs/dbraw/zinc/57/77/96/558577796.db2.gz MEVQYEXLTMCTDE-AUEPDCJTSA-N 0 0 414.317 6.422 50 30 HKEARN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000013714422 558578171 /nfs/dbraw/zinc/57/81/71/558578171.db2.gz WJLJDYHMBOEPNM-SGEDCAFJSA-N 0 0 409.533 5.066 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S ZINC000013714864 518824976 /nfs/dbraw/zinc/82/49/76/518824976.db2.gz FHOVYLWAXFNHQO-STZFKDTASA-N 0 0 404.560 5.635 50 30 HKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@@H]1CCCc2ccccc21 ZINC000013728496 558585601 /nfs/dbraw/zinc/58/56/01/558585601.db2.gz IIABLFJNXHZBCQ-LJQANCHMSA-N 0 0 421.953 5.053 50 30 HKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@H]1CCCc2ccccc21 ZINC000013728499 558585718 /nfs/dbraw/zinc/58/57/18/558585718.db2.gz IIABLFJNXHZBCQ-IBGZPJMESA-N 0 0 421.953 5.053 50 30 HKEARN CC1[C@@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@@H]12 ZINC000013739016 568719327 /nfs/dbraw/zinc/71/93/27/568719327.db2.gz SOTMWCFQLUSXKP-JFJDKTSWSA-N 0 0 415.503 6.062 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccccc1Cl ZINC000013739152 558589046 /nfs/dbraw/zinc/58/90/46/558589046.db2.gz KZILEGONCFTKDD-DAFNUICNSA-N 0 0 412.002 6.929 50 30 HKEARN CCOc1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)cc1 ZINC000013739312 558589043 /nfs/dbraw/zinc/58/90/43/558589043.db2.gz PFEICEKWVUICNN-UHFFFAOYSA-N 0 0 407.583 5.830 50 30 HKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(O)c2)C12CCCCC2 ZINC000013739534 558589009 /nfs/dbraw/zinc/58/90/09/558589009.db2.gz MYJVQCJGRSGNHC-LVWGJNHUSA-N 0 0 407.583 6.235 50 30 HKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 ZINC000013739599 558589036 /nfs/dbraw/zinc/58/90/36/558589036.db2.gz RBGOHSGSKKZHDG-ZVHZXABRSA-N 0 0 421.978 7.061 50 30 HKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1Cl)CCCC3 ZINC000013748982 569000586 /nfs/dbraw/zinc/00/05/86/569000586.db2.gz MQRSWCWDZMKXCU-UHFFFAOYSA-N 0 0 420.962 5.608 50 30 HKEARN Cc1cccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000013751342 558589593 /nfs/dbraw/zinc/58/95/93/558589593.db2.gz PJPOETNNLBXEQA-OHYPFYFLSA-N 0 0 423.560 5.375 50 30 HKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000013756698 558590279 /nfs/dbraw/zinc/59/02/79/558590279.db2.gz ZWVFRNPCQKRFEF-DHRITJCHSA-N 0 0 423.303 6.058 50 30 HKEARN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013756739 558590521 /nfs/dbraw/zinc/59/05/21/558590521.db2.gz QAJYXFYNWQXAOB-GERRWAMXSA-N 0 0 407.476 5.465 50 30 HKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000013756779 558590523 /nfs/dbraw/zinc/59/05/23/558590523.db2.gz JLLAOFUWQSUBHQ-RWPZCVJISA-N 0 0 421.331 6.748 50 30 HKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000013756825 558590553 /nfs/dbraw/zinc/59/05/53/558590553.db2.gz JJVWZSTUZBJBMF-RWPZCVJISA-N 0 0 421.331 6.748 50 30 HKEARN C=CCSC1=N[C@@H](c2ccccc2)N2C(SCC=C)=N[C@H](c3ccccc3)N12 ZINC000013756944 569000859 /nfs/dbraw/zinc/00/08/59/569000859.db2.gz XMUOHOCVMIOUES-BGYRXZFFSA-N 0 0 406.580 5.481 50 30 HKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1 ZINC000013757024 558590565 /nfs/dbraw/zinc/59/05/65/558590565.db2.gz UEYKFNARSKNHII-DHRITJCHSA-N 0 0 423.303 6.058 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 ZINC000013758082 558865643 /nfs/dbraw/zinc/86/56/43/558865643.db2.gz UQKNDOFXAYIFCX-YVNNLAQVSA-N 0 0 410.828 5.683 50 30 HKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c1OC ZINC000013758299 558865400 /nfs/dbraw/zinc/86/54/00/558865400.db2.gz TWZJIMYKSLFHNG-UUYOSTAYSA-N 0 0 406.409 5.038 50 30 HKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O ZINC000013758302 558865454 /nfs/dbraw/zinc/86/54/54/558865454.db2.gz JTQQBVQRXRYDDH-STZFKDTASA-N 0 0 418.514 6.189 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)o1 ZINC000013758472 558865469 /nfs/dbraw/zinc/86/54/69/558865469.db2.gz TVCAIRLYOSFDMG-JMIUGGIZSA-N 0 0 401.245 6.090 50 30 HKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O ZINC000013758592 558865433 /nfs/dbraw/zinc/86/54/33/558865433.db2.gz ZRYYPWGLFJNSIJ-GRSHGNNSSA-N 0 0 400.858 6.044 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccco1 ZINC000013759667 558865560 /nfs/dbraw/zinc/86/55/60/558865560.db2.gz BVOBKUMXORFVGQ-NVMNQCDNSA-N 0 0 401.201 5.422 50 30 HKEARN COc1ccccc1N1C(SC)=N/C(=N\c2c(C)cccc2C)C12CCCCC2 ZINC000013764693 558591007 /nfs/dbraw/zinc/59/10/07/558591007.db2.gz FBBDIRGSZNYNTM-LVWGJNHUSA-N 0 0 407.583 6.284 50 30 HKEARN Cc1ccc(OC(=O)c2ccccc2Cl)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013765581 558591337 /nfs/dbraw/zinc/59/13/37/558591337.db2.gz CZQHTAKVWNLLFH-BKUYFWCQSA-N 0 0 406.890 6.197 50 30 HKEARN O=C1Nc2ccc3c4ccccc4oc3c2C1=NNc1ccc2c(c1)oc1ccccc12 ZINC000013765981 558591254 /nfs/dbraw/zinc/59/12/54/558591254.db2.gz UAZKTMUHODKPDF-UHFFFAOYSA-N 0 0 417.424 6.254 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)[C@]2(CCOC(C)(C)C2)N1c1ccccc1 ZINC000013766232 558591245 /nfs/dbraw/zinc/59/12/45/558591245.db2.gz DUBATHXYPAWDAJ-VHBBHFJJSA-N 0 0 407.583 5.900 50 30 HKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O ZINC000013768548 558866981 /nfs/dbraw/zinc/86/69/81/558866981.db2.gz LHFFOTMDPNCIOU-OCKHKDLRSA-N 0 0 401.256 5.029 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 ZINC000013768861 558866917 /nfs/dbraw/zinc/86/69/17/558866917.db2.gz AJMZFNXUPXKOLQ-JMIUGGIZSA-N 0 0 401.245 6.090 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1 ZINC000013768918 558866968 /nfs/dbraw/zinc/86/69/68/558866968.db2.gz URSMUJPDMVUPAI-KSEXSDGBSA-N 0 0 406.409 5.038 50 30 HKEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000013769079 558867364 /nfs/dbraw/zinc/86/73/64/558867364.db2.gz LZGPIVGMELEPNE-MTJSOVHGSA-N 0 0 406.821 5.184 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1cccs1 ZINC000013769384 558867636 /nfs/dbraw/zinc/86/76/36/558867636.db2.gz FTDUSMHNAUEXNY-YVLHZVERSA-N 0 0 400.814 5.376 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1 ZINC000013769431 558867651 /nfs/dbraw/zinc/86/76/51/558867651.db2.gz CFLMVLAFLKQDCV-KSEXSDGBSA-N 0 0 406.409 5.038 50 30 HKEARN O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\C=C\c1ccccc1 ZINC000013769696 558867653 /nfs/dbraw/zinc/86/76/53/558867653.db2.gz OJFZBEZEQLNAPI-HEYHWPDRSA-N 0 0 406.840 6.231 50 30 HKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 ZINC000013769784 558867548 /nfs/dbraw/zinc/86/75/48/558867548.db2.gz XHIANRMHRDMXAM-MOSHPQCFSA-N 0 0 404.487 5.881 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)o1 ZINC000013769816 558867668 /nfs/dbraw/zinc/86/76/68/558867668.db2.gz XIDXGWNELCIAHS-JMIUGGIZSA-N 0 0 401.245 6.090 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)C1CCCCC1 ZINC000013769828 558867648 /nfs/dbraw/zinc/86/76/48/558867648.db2.gz GLDMGZAKXLVAEN-NDENLUEZSA-N 0 0 400.833 5.581 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccco1 ZINC000013770148 558867826 /nfs/dbraw/zinc/86/78/26/558867826.db2.gz ZDBOOLIFKCJEQS-ZDLGFXPLSA-N 0 0 401.201 5.422 50 30 HKEARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013773762 558592133 /nfs/dbraw/zinc/59/21/33/558592133.db2.gz YDQPBWLGPMEJHA-BKUYFWCQSA-N 0 0 417.442 5.452 50 30 HKEARN COc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@]23CCOC(C)(C)C3)c1 ZINC000013773984 558592102 /nfs/dbraw/zinc/59/21/02/558592102.db2.gz KUEHFIAICQJSIN-XMMPIXPASA-N 0 0 423.582 5.476 50 30 HKEARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013774029 558592158 /nfs/dbraw/zinc/59/21/58/558592158.db2.gz AMDCMNSDBWMGER-BKUYFWCQSA-N 0 0 417.442 5.452 50 30 HKEARN Cc1ccc(OC(=O)c2cccc(Cl)c2)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013774187 558592155 /nfs/dbraw/zinc/59/21/55/558592155.db2.gz NKDMFMCYZDATDC-BKUYFWCQSA-N 0 0 406.890 6.197 50 30 HKEARN COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccc(C)cc2)cc1 ZINC000013774442 558592283 /nfs/dbraw/zinc/59/22/83/558592283.db2.gz LODORZIRHXVGGP-JCMHNJIXSA-N 0 0 401.487 5.480 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013774569 558592238 /nfs/dbraw/zinc/59/22/38/558592238.db2.gz OLXQVTRNKZHHOK-XNTDXEJSSA-N 0 0 419.311 6.742 50 30 HKEARN Oc1ccc2oc3c(c2c1/C=N/c1ccc(I)cc1)CCCC3 ZINC000013774853 558592250 /nfs/dbraw/zinc/59/22/50/558592250.db2.gz APFMUROVOQOQMI-SRZZPIQSSA-N 0 0 417.246 5.372 50 30 HKEARN COc1cccc(N2C(SC)=N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 ZINC000013775293 558592291 /nfs/dbraw/zinc/59/22/91/558592291.db2.gz RSEJIHFGVQZALN-OQICMLARSA-N 0 0 423.582 5.601 50 30 HKEARN COc1cccc(N2C(SC)=N/C(=N\c3ccccc3C)[C@]23CCOC(C)(C)C3)c1 ZINC000013775295 558592271 /nfs/dbraw/zinc/59/22/71/558592271.db2.gz RSEJIHFGVQZALN-VHBBHFJJSA-N 0 0 423.582 5.601 50 30 HKEARN COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000013775330 558592310 /nfs/dbraw/zinc/59/23/10/558592310.db2.gz XLVDXSREVDJZQT-STZFKDTASA-N 0 0 421.905 5.825 50 30 HKEARN COc1cccc(N2C(=S)N=C(Nc3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 ZINC000013775616 558592516 /nfs/dbraw/zinc/59/25/16/558592516.db2.gz ABZNJIHBBUSBML-QHCPKHFHSA-N 0 0 409.555 5.167 50 30 HKEARN COc1ccccc1/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O ZINC000013777041 558868413 /nfs/dbraw/zinc/86/84/13/558868413.db2.gz NVRAMSSNHAHDBD-JJFYIABZSA-N 0 0 410.828 5.683 50 30 HKEARN COc1ccccc1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O ZINC000013777621 558868823 /nfs/dbraw/zinc/86/88/23/558868823.db2.gz BVDPRBBAIZQSSY-YVNNLAQVSA-N 0 0 410.828 5.683 50 30 HKEARN Cc1ccc(C2=NOC(=O)/C2=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000013777751 558592671 /nfs/dbraw/zinc/59/26/71/558592671.db2.gz RZZUEOKHZNCNBD-STZFKDTASA-N 0 0 403.865 5.572 50 30 HKEARN COc1cc(/C=C2\CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1OC(F)F ZINC000013777792 558592669 /nfs/dbraw/zinc/59/26/69/558592669.db2.gz VODAUYOHBFMFEN-HJGWPUIUSA-N 0 0 413.464 5.583 50 30 HKEARN COc1cccc(N2C(SC)=N/C(=N\c3ccccc3)[C@@]23CCOC(C)(C)C3)c1 ZINC000013778123 558592914 /nfs/dbraw/zinc/59/29/14/558592914.db2.gz QLARRAVGCGNKRK-ODMPFRHRSA-N 0 0 409.555 5.292 50 30 HKEARN O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\C=C\c1ccccc1 ZINC000013778156 558868789 /nfs/dbraw/zinc/86/87/89/558868789.db2.gz HMPRJLGSEHDWRJ-OGAKRCKNSA-N 0 0 406.840 6.231 50 30 HKEARN Cc1ccsc1C=C1Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000013778279 558869259 /nfs/dbraw/zinc/86/92/59/558869259.db2.gz MIXYSKQVRAQKJA-JAIQZWGSSA-N 0 0 410.878 5.588 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)o1 ZINC000013778605 558869243 /nfs/dbraw/zinc/86/92/43/558869243.db2.gz VJTWMCLDELDVIJ-HMAPJEAMSA-N 0 0 402.446 5.721 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccco1 ZINC000013779044 558869169 /nfs/dbraw/zinc/86/91/69/558869169.db2.gz XFDDYLPWPVQPNL-LSCVHKIXSA-N 0 0 401.201 5.422 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)C1CCCCC1 ZINC000013779122 558869228 /nfs/dbraw/zinc/86/92/28/558869228.db2.gz DWKHDLHVTAIIKU-JMIUGGIZSA-N 0 0 417.288 6.095 50 30 HKEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O ZINC000013779152 558869212 /nfs/dbraw/zinc/86/92/12/558869212.db2.gz ZSQONFGFINAUHV-JAIQZWGSSA-N 0 0 415.283 5.419 50 30 HKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1 ZINC000013779163 558869175 /nfs/dbraw/zinc/86/91/75/558869175.db2.gz LTHWPDSPZDELJY-FMCGGJTJSA-N 0 0 406.409 5.038 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 ZINC000013786516 558593331 /nfs/dbraw/zinc/59/33/31/558593331.db2.gz FOGSYJIRSPSKSO-ATVHPVEESA-N 0 0 404.413 5.162 50 30 HKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O ZINC000013786640 558869518 /nfs/dbraw/zinc/86/95/18/558869518.db2.gz KOEKYCKPFUXARI-GRSHGNNSSA-N 0 0 400.858 6.044 50 30 HKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)o1 ZINC000013786720 558869494 /nfs/dbraw/zinc/86/94/94/558869494.db2.gz SJCVMZGCXZKARN-JAIQZWGSSA-N 0 0 411.251 5.546 50 30 HKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1OC ZINC000013786756 558869509 /nfs/dbraw/zinc/86/95/09/558869509.db2.gz BXUAEZPYONHJOC-UUYOSTAYSA-N 0 0 406.409 5.038 50 30 HKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc1OC ZINC000013787149 558869366 /nfs/dbraw/zinc/86/93/66/558869366.db2.gz VIILBPDTAHYBGA-FMCGGJTJSA-N 0 0 406.409 5.038 50 30 HKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1 ZINC000013787190 558869627 /nfs/dbraw/zinc/86/96/27/558869627.db2.gz SHIJLTGHHRFLKD-NDENLUEZSA-N 0 0 411.240 5.829 50 30 HKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)NC1=O ZINC000013787710 558873080 /nfs/dbraw/zinc/87/30/80/558873080.db2.gz SCWDNDBWHVYYLD-YZXVBUGESA-N 0 0 422.859 6.197 50 30 HKEARN O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1c[nH]c2ccccc12 ZINC000013787825 558593711 /nfs/dbraw/zinc/59/37/11/558593711.db2.gz BNTGXVPRMDJCBX-APSNUPSMSA-N 0 0 421.831 5.732 50 30 HKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000013799483 558594371 /nfs/dbraw/zinc/59/43/71/558594371.db2.gz QBASJMPBROYZJY-UCQKPKSFSA-N 0 0 415.562 5.911 50 30 HKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013799694 558594547 /nfs/dbraw/zinc/59/45/47/558594547.db2.gz LJBGJYXYOSLTAF-MOSHPQCFSA-N 0 0 407.926 5.639 50 30 HKEARN CC(N=Nc1nc(-c2cccnc2)nc2ccccc21)c1ccc(Br)cc1 ZINC000013799791 558594561 /nfs/dbraw/zinc/59/45/61/558594561.db2.gz MNQXXCRKUXRWGD-WGARJPEWSA-N 0 0 418.298 5.290 50 30 HKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000013800272 569000913 /nfs/dbraw/zinc/00/09/13/569000913.db2.gz WJURILZXBHSHKF-UYRXBGFRSA-N 0 0 419.531 5.433 50 30 HKEARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1OC ZINC000013801402 558594787 /nfs/dbraw/zinc/59/47/87/558594787.db2.gz UEOIUIPMEKCWHI-YJBIHYNGSA-N 0 0 415.518 5.348 50 30 HKEARN Cc1cccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c43)c(=O)[nH]c12 ZINC000013807152 558594963 /nfs/dbraw/zinc/59/49/63/558594963.db2.gz DIDGJCLOZYPLRR-KBKYJPHKSA-N 0 0 411.490 5.367 50 30 HKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000013809706 558884399 /nfs/dbraw/zinc/88/43/99/558884399.db2.gz AZEYKWGBQPOURL-AFPJDJCSSA-N 0 0 416.289 5.669 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)SC1=S ZINC000013809898 569000642 /nfs/dbraw/zinc/00/06/42/569000642.db2.gz ZETCZCCBOBQBGJ-WQRHYEAKSA-N 0 0 402.972 5.443 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000013810329 558595406 /nfs/dbraw/zinc/59/54/06/558595406.db2.gz VFCFGAJVMSPPKU-SFQUDFHCSA-N 0 0 412.923 5.976 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000013816458 558596233 /nfs/dbraw/zinc/59/62/33/558596233.db2.gz DGYXIHPEHVTVJI-DEANLKEKSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000013816462 558596178 /nfs/dbraw/zinc/59/61/78/558596178.db2.gz DGYXIHPEHVTVJI-RSOBRIFHSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c(F)c1F ZINC000013827756 558596423 /nfs/dbraw/zinc/59/64/23/558596423.db2.gz ZFHGXWPMULPQSE-UKSCLKOJSA-N 0 0 418.736 5.552 50 30 in-vitro HKEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 ZINC000013831694 558885400 /nfs/dbraw/zinc/88/54/00/558885400.db2.gz IKLPJEZDIFNJFU-IAGOWNOFSA-N 0 0 421.928 5.928 50 30 HKEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 ZINC000013831696 558885396 /nfs/dbraw/zinc/88/53/96/558885396.db2.gz IKLPJEZDIFNJFU-CALCHBBNSA-N 0 0 421.928 5.928 50 30 HKEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 ZINC000013831697 558885371 /nfs/dbraw/zinc/88/53/71/558885371.db2.gz IKLPJEZDIFNJFU-IRXDYDNUSA-N 0 0 421.928 5.928 50 30 HKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCCCCC1 ZINC000013831699 558885365 /nfs/dbraw/zinc/88/53/65/558885365.db2.gz MMPKLPXNZMVKOD-UHFFFAOYSA-N 0 0 407.901 5.826 50 30 HKEARN CC1CCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)CC1 ZINC000013831700 558885318 /nfs/dbraw/zinc/88/53/18/558885318.db2.gz AWJANRHMAPWXID-UHFFFAOYSA-N 0 0 407.901 5.682 50 30 HKEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 ZINC000013831727 558885377 /nfs/dbraw/zinc/88/53/77/558885377.db2.gz AARSWYLUVPNJAG-IAGOWNOFSA-N 0 0 421.928 5.928 50 30 HKEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 ZINC000013831729 558885363 /nfs/dbraw/zinc/88/53/63/558885363.db2.gz AARSWYLUVPNJAG-CALCHBBNSA-N 0 0 421.928 5.928 50 30 HKEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 ZINC000013831730 558885397 /nfs/dbraw/zinc/88/53/97/558885397.db2.gz AARSWYLUVPNJAG-IRXDYDNUSA-N 0 0 421.928 5.928 50 30 HKEARN N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCCCCC1 ZINC000013831732 558885360 /nfs/dbraw/zinc/88/53/60/558885360.db2.gz UYFORPVKBPQEMO-UHFFFAOYSA-N 0 0 407.901 5.826 50 30 HKEARN CC1CCN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)CC1 ZINC000013831733 558885367 /nfs/dbraw/zinc/88/53/67/558885367.db2.gz DHSWCUJYDBTCMZ-UHFFFAOYSA-N 0 0 407.901 5.682 50 30 HKEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCc1c(F)cccc1Cl ZINC000013846695 569258081 /nfs/dbraw/zinc/25/80/81/569258081.db2.gz YJZZEKWSLDYZNZ-UHFFFAOYSA-N 0 0 407.873 5.267 50 30 HKEARN C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1ccc(F)cc1 ZINC000013848432 569000978 /nfs/dbraw/zinc/00/09/78/569000978.db2.gz QPQKEYCKGZBLOV-UHFFFAOYSA-N 0 0 403.910 5.436 50 30 HKEARN Fc1ccccc1Oc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000013856412 558598500 /nfs/dbraw/zinc/59/85/00/558598500.db2.gz WYANIMYPRXVFEQ-CVKSISIWSA-N 0 0 413.477 6.827 50 30 HKEARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1cccs1 ZINC000013878749 558889691 /nfs/dbraw/zinc/88/96/91/558889691.db2.gz DWZFYKRGLXCPJR-UHFFFAOYSA-N 0 0 422.019 5.168 50 30 HKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000013880395 568719448 /nfs/dbraw/zinc/71/94/48/568719448.db2.gz HBUVNOADDUOJFD-DNQXCXABSA-N 0 0 412.449 5.019 50 30 HKEARN C#CCN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000013880793 569001038 /nfs/dbraw/zinc/00/10/38/569001038.db2.gz UCSGSHCYVJXBLB-BKUYFWCQSA-N 0 0 420.921 5.321 50 30 HKEARN O=C1N/C(=N/c2cc(Cl)ccc2Cl)S/C1=C\c1ccc(Cl)cc1Cl ZINC000013880971 558599713 /nfs/dbraw/zinc/59/97/13/558599713.db2.gz KEOQCFFVLHLSSC-RZNTYIFUSA-N 0 0 418.132 6.192 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)SC1=S ZINC000013880986 569000877 /nfs/dbraw/zinc/00/08/77/569000877.db2.gz UGLRWDBVWSVAPJ-STZFKDTASA-N 0 0 404.560 5.635 50 30 HKEARN CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\CC)N(CC)C3=O)c2C)cc1 ZINC000013881084 558599725 /nfs/dbraw/zinc/59/97/25/558599725.db2.gz BKDGCRDCQZTYJL-WMOWQXFYSA-N 0 0 409.599 5.749 50 30 HKEARN C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000013881317 569000932 /nfs/dbraw/zinc/00/09/32/569000932.db2.gz SYZRUOFKIVWNIB-YBEGLDIGSA-N 0 0 404.285 5.240 50 30 HKEARN COCCCN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)S/C1=N\c1ccccc1 ZINC000013881427 558599698 /nfs/dbraw/zinc/59/96/98/558599698.db2.gz LOQGSDMLTYRAPQ-BCZLEZCTSA-N 0 0 420.456 5.346 50 30 HKEARN Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 ZINC000013881569 558599665 /nfs/dbraw/zinc/59/96/65/558599665.db2.gz HIXKYJKKNUSIGH-ATVHPVEESA-N 0 0 401.919 5.123 50 30 HKEARN CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000013893510 558600043 /nfs/dbraw/zinc/60/00/43/558600043.db2.gz KRYNRGNGULVGHD-ISSOZRQYSA-N 0 0 405.567 5.689 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000013894348 558600149 /nfs/dbraw/zinc/60/01/49/558600149.db2.gz QPMQULAXXWBDFK-CIAFOILYSA-N 0 0 402.317 5.417 50 30 HKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000013895180 558600372 /nfs/dbraw/zinc/60/03/72/558600372.db2.gz NOLMKTRDLKFAKX-OVJCGYIESA-N 0 0 420.490 5.101 50 30 HKEARN C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000013896045 558600554 /nfs/dbraw/zinc/60/05/54/558600554.db2.gz DZNWOODGQJQADJ-UHFFFAOYSA-N 0 0 406.522 5.652 50 30 HKEARN Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cc4ccccc4)ccc3O)ccc2o1 ZINC000013897295 558600575 /nfs/dbraw/zinc/60/05/75/558600575.db2.gz KPSCVVDKJLGBDL-RDRPBHBLSA-N 0 0 418.496 6.850 50 30 HKEARN Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013897568 558600729 /nfs/dbraw/zinc/60/07/29/558600729.db2.gz XKHJLSCKUUGNHL-BTRCZGFISA-N 0 0 413.502 5.576 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013899529 558601165 /nfs/dbraw/zinc/60/11/65/558601165.db2.gz YAWIWBYUJQNREP-BUVRLJJBSA-N 0 0 418.294 5.758 50 30 HKEARN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC ZINC000013913931 569258186 /nfs/dbraw/zinc/25/81/86/569258186.db2.gz PNPFRVBGVWWTNK-UNOMPAQXSA-N 0 0 410.901 5.418 50 30 HKEARN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OC ZINC000013914116 569258150 /nfs/dbraw/zinc/25/81/50/569258150.db2.gz ABYIGAJVDHDBOQ-GDNBJRDFSA-N 0 0 417.292 5.373 50 30 HKEARN CC(C)(C)C1C/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)C1 ZINC000013914228 569258149 /nfs/dbraw/zinc/25/81/49/569258149.db2.gz CSAQVKRPWQPHMM-PJABCKPXSA-N 0 0 400.387 5.181 50 30 HKEARN COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013914328 558601912 /nfs/dbraw/zinc/60/19/12/558601912.db2.gz ASYWCFWCRGEJCM-AFUMVMLFSA-N 0 0 423.900 5.121 50 30 HKEARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(=O)[nH]c2ccccc21 ZINC000013930279 558602833 /nfs/dbraw/zinc/60/28/33/558602833.db2.gz UCULTDXQJVCRND-UHFFFAOYSA-N 0 0 416.289 5.595 50 30 HKEARN C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000013939684 569001240 /nfs/dbraw/zinc/00/12/40/569001240.db2.gz YBMFNDXZLSXMPT-ZDLGFXPLSA-N 0 0 418.301 5.242 50 30 HKEARN S=C(NCc1ccccc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000013940361 569423281 /nfs/dbraw/zinc/42/32/81/569423281.db2.gz GQPFSITWAISRMD-LPYMAVHISA-N 0 0 401.944 5.082 50 30 HKEARN Cc1cc(Br)c(O)c(/C=N/c2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000013940634 558604225 /nfs/dbraw/zinc/60/42/25/558604225.db2.gz ZLVVJDIQCPCNBB-ZMOGYAJESA-N 0 0 423.310 5.774 50 30 HKEARN CCc1ccc(/N=C2/S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 ZINC000013940967 558604523 /nfs/dbraw/zinc/60/45/23/558604523.db2.gz WNFCAXDYDYQIIQ-ASAQIREPSA-N 0 0 408.567 5.923 50 30 HKEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000013942002 569001014 /nfs/dbraw/zinc/00/10/14/569001014.db2.gz AGGCQRHZSOVCOI-MFOYZWKCSA-N 0 0 405.306 5.070 50 30 HKEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000013942746 558604993 /nfs/dbraw/zinc/60/49/93/558604993.db2.gz QPPMALBJANCING-UFFVCSGVSA-N 0 0 407.282 5.861 50 30 HKEARN Cc1ccc(C)c(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000013943306 558605361 /nfs/dbraw/zinc/60/53/61/558605361.db2.gz MVFJOBPPXZOJPC-KOEQRZSOSA-N 0 0 419.481 5.506 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C#N)cc3F)c2)cc1 ZINC000013946146 558984749 /nfs/dbraw/zinc/98/47/49/558984749.db2.gz DEWUKWICPAFXLI-UHFFFAOYSA-N 0 0 415.468 5.499 50 30 HKEARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(F)(F)C(F)(F)C(F)(F)F ZINC000013953274 569258290 /nfs/dbraw/zinc/25/82/90/569258290.db2.gz MUSLCOBKAZSBBE-UHFFFAOYSA-N 0 0 422.325 5.735 50 30 HKEARN N#C[C@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000013957976 558607987 /nfs/dbraw/zinc/60/79/87/558607987.db2.gz NFJDLFJJBCGKDP-DHIUTWEWSA-N 0 0 416.322 5.865 50 30 HKEARN N#C[C@@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000013957978 558607970 /nfs/dbraw/zinc/60/79/70/558607970.db2.gz NFJDLFJJBCGKDP-PKTZIBPZSA-N 0 0 416.322 5.865 50 30 HKEARN O=C(/C=C/c1ccc(COc2ccc(Cl)cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000013960094 558608370 /nfs/dbraw/zinc/60/83/70/558608370.db2.gz ZLOZITJELDABTB-ZZXKWVIFSA-N 0 0 410.941 6.701 50 30 HKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000013961510 558609346 /nfs/dbraw/zinc/60/93/46/558609346.db2.gz YQIGNAXFSAHJMO-QHCPKHFHSA-N 0 0 413.473 5.095 50 30 HKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000013961511 558609274 /nfs/dbraw/zinc/60/92/74/558609274.db2.gz YQIGNAXFSAHJMO-HSZRJFAPSA-N 0 0 413.473 5.095 50 30 HKEARN O=C(/C=C/c1ccccc1O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000013987299 559130416 /nfs/dbraw/zinc/13/04/16/559130416.db2.gz PFBPUGVRIWRSNC-JLHYYAGUSA-N 0 0 401.849 5.450 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC(Nc2ccc(I)cc2)=C1Cl ZINC000014007960 559142086 /nfs/dbraw/zinc/14/20/86/559142086.db2.gz YLDNKKBSXRJEBF-CYBMUJFWSA-N 0 0 423.681 5.300 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC(Nc2ccc(I)cc2)=C1Cl ZINC000014007963 559142105 /nfs/dbraw/zinc/14/21/05/559142105.db2.gz YLDNKKBSXRJEBF-ZDUSSCGKSA-N 0 0 423.681 5.300 50 30 HKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)S2)cc1 ZINC000014008739 558612841 /nfs/dbraw/zinc/61/28/41/558612841.db2.gz CKJQYDDFOARYOJ-WOJGMQOQSA-N 0 0 402.903 5.027 50 30 HKEARN CC[C@@H](C)Oc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000014009014 558612925 /nfs/dbraw/zinc/61/29/25/558612925.db2.gz LCMFHQBGNUPBCX-TWTKUYCTSA-N 0 0 410.539 5.114 50 30 HKEARN CC[C@H](C)Oc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000014009017 558612836 /nfs/dbraw/zinc/61/28/36/558612836.db2.gz LCMFHQBGNUPBCX-YOICFVQHSA-N 0 0 410.539 5.114 50 30 HKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000014017478 558613723 /nfs/dbraw/zinc/61/37/23/558613723.db2.gz HKIJCEWOLKSIMO-QFIPXVFZSA-N 0 0 401.485 5.520 50 30 HKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000014017481 558613668 /nfs/dbraw/zinc/61/36/68/558613668.db2.gz HKIJCEWOLKSIMO-JOCHJYFZSA-N 0 0 401.485 5.520 50 30 HKEARN C=CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 ZINC000014055235 559146733 /nfs/dbraw/zinc/14/67/33/559146733.db2.gz NEZTWYISRVMRHY-UHFFFAOYSA-N 0 0 415.518 5.617 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1csc2ccccc12 ZINC000014058273 569001173 /nfs/dbraw/zinc/00/11/73/569001173.db2.gz MWLUDYQPLZYICR-UHFFFAOYSA-N 0 0 406.536 5.077 50 30 HKEARN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)cc1Cl ZINC000014070714 559148715 /nfs/dbraw/zinc/14/87/15/559148715.db2.gz NXAJLMINDUSPCU-NEPJUHHUSA-N 0 0 422.381 5.341 50 30 HKEARN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(Cl)cc1Cl ZINC000014070718 559148708 /nfs/dbraw/zinc/14/87/08/559148708.db2.gz NXAJLMINDUSPCU-RYUDHWBXSA-N 0 0 422.381 5.341 50 30 HKEARN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)cc1Cl ZINC000014070721 559148873 /nfs/dbraw/zinc/14/88/73/559148873.db2.gz NXAJLMINDUSPCU-VXGBXAGGSA-N 0 0 422.381 5.341 50 30 HKEARN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(Cl)cc1Cl ZINC000014070724 559148858 /nfs/dbraw/zinc/14/88/58/559148858.db2.gz NXAJLMINDUSPCU-NWDGAFQWSA-N 0 0 422.381 5.341 50 30 HKEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2c(-c3ccccc3)nc3sccn23)c1C ZINC000014074866 559148474 /nfs/dbraw/zinc/14/84/74/559148474.db2.gz HEPYODXEMXFKAN-ZHACJKMWSA-N 0 0 419.506 5.081 50 30 HKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(C)c1 ZINC000014082170 569001399 /nfs/dbraw/zinc/00/13/99/569001399.db2.gz YMMXECPOMOMUPG-UHFFFAOYSA-N 0 0 414.534 5.324 50 30 HKEARN C=CCc1ccc(OCCCOc2ccc(Cl)cc2Br)c(OC)c1 ZINC000014084390 569001603 /nfs/dbraw/zinc/00/16/03/569001603.db2.gz NRISMIKUQYYABV-UHFFFAOYSA-N 0 0 411.723 5.688 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(Cl)ccc1OC ZINC000014084854 569001297 /nfs/dbraw/zinc/00/12/97/569001297.db2.gz GHARQUAMUYNCCG-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084873 560837840 /nfs/dbraw/zinc/83/78/40/560837840.db2.gz VQFKGEBRMXCBAZ-UHFFFAOYSA-N 0 0 406.338 5.739 50 30 HKEARN CCc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC000014086075 558618783 /nfs/dbraw/zinc/61/87/83/558618783.db2.gz SFOYYYAZFZOZEI-NRFANRHFSA-N 0 0 410.926 5.359 50 30 HKEARN CCc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 ZINC000014086077 558618780 /nfs/dbraw/zinc/61/87/80/558618780.db2.gz SFOYYYAZFZOZEI-OAQYLSRUSA-N 0 0 410.926 5.359 50 30 HKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1Cl ZINC000014088253 569001451 /nfs/dbraw/zinc/00/14/51/569001451.db2.gz RLHGSTNLEODFHB-UHFFFAOYSA-N 0 0 406.338 5.642 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)Oc1cccc(Cl)c1 ZINC000014090625 569001304 /nfs/dbraw/zinc/00/13/04/569001304.db2.gz JFZFTKNAUQOHCJ-CQSZACIVSA-N 0 0 403.910 5.689 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC000014090626 569001750 /nfs/dbraw/zinc/00/17/50/569001750.db2.gz JFZFTKNAUQOHCJ-AWEZNQCLSA-N 0 0 403.910 5.689 50 30 HKEARN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1c(F)cccc1Cl ZINC000014091780 569001551 /nfs/dbraw/zinc/00/15/51/569001551.db2.gz CKSZXHVETVOVDO-UHFFFAOYSA-N 0 0 403.910 5.148 50 30 HKEARN C=CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000014092052 569001589 /nfs/dbraw/zinc/00/15/89/569001589.db2.gz BSPJPAQJDFEEPL-UHFFFAOYSA-N 0 0 424.784 6.307 50 30 HKEARN N#CCCSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000014093189 559150460 /nfs/dbraw/zinc/15/04/60/559150460.db2.gz GSAIQPXHJQMWBM-UHFFFAOYSA-N 0 0 423.592 5.234 50 30 HKEARN CCCCCCCCS(=O)(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1OC ZINC000014114448 558890058 /nfs/dbraw/zinc/89/00/58/558890058.db2.gz NPAIVVXBBJRRLM-UHFFFAOYSA-N 0 0 418.559 5.050 50 30 HKEARN C=CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1ccc(F)cc1 ZINC000014119743 569002120 /nfs/dbraw/zinc/00/21/20/569002120.db2.gz BIHCAJPOCTUKMR-UHFFFAOYSA-N 0 0 423.435 5.493 50 30 HKEARN COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1 ZINC000014121294 558622351 /nfs/dbraw/zinc/62/23/51/558622351.db2.gz OPNRODNFVXRCBM-UHFFFAOYSA-N 0 0 404.491 5.120 50 30 HKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1c(F)cccc1Cl ZINC000014122557 569258651 /nfs/dbraw/zinc/25/86/51/569258651.db2.gz ZMKASOOMUSAINH-UHFFFAOYSA-N 0 0 403.910 5.436 50 30 HKEARN CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1 ZINC000014128264 558623300 /nfs/dbraw/zinc/62/33/00/558623300.db2.gz MVCQKIKWYUURMU-UHFFFAOYSA-N 0 0 401.591 7.357 50 30 investigational HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(CN2CCCC2)cs1 ZINC000014158143 559154402 /nfs/dbraw/zinc/15/44/02/559154402.db2.gz OJOSOTKRJWYANW-UHFFFAOYSA-N 0 0 420.563 5.014 50 30 HKEARN CC(=O)c1cc(C#N)c(SCc2cc(-c3ccccc3)on2)nc1-c1ccccc1 ZINC000014159149 559154422 /nfs/dbraw/zinc/15/44/22/559154422.db2.gz PAPFVFIUFBBJCK-UHFFFAOYSA-N 0 0 411.486 5.770 50 30 HKEARN C=CCn1c(=S)n(CN2CCc3sccc3[C@@H]2c2cccs2)nc1C1CC1 ZINC000014182558 569002067 /nfs/dbraw/zinc/00/20/67/569002067.db2.gz QLSAZTYPBTWANU-GOSISDBHSA-N 0 0 414.625 5.206 50 30 HKEARN C=CCn1c(=S)n(CN2CCc3sccc3[C@H]2c2cccs2)nc1C1CC1 ZINC000014182560 569001983 /nfs/dbraw/zinc/00/19/83/569001983.db2.gz QLSAZTYPBTWANU-SFHVURJKSA-N 0 0 414.625 5.206 50 30 HKEARN C=CCOc1ccc(CN(C)Cn2nc(-c3cccs3)n(C3CC3)c2=S)cc1 ZINC000014186544 569001989 /nfs/dbraw/zinc/00/19/89/569001989.db2.gz YEHAONAKQARUGX-UHFFFAOYSA-N 0 0 412.584 5.132 50 30 HKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000014189467 559155406 /nfs/dbraw/zinc/15/54/06/559155406.db2.gz MPZAKGLERHTNPL-UHFFFAOYSA-N 0 0 414.559 6.172 50 30 HKEARN Cc1nc(Cc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cs1 ZINC000014189812 559155612 /nfs/dbraw/zinc/15/56/12/559155612.db2.gz BERDUDFRRQQYOB-UHFFFAOYSA-N 0 0 404.520 5.256 50 30 HKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(C)cc2)o1 ZINC000014199217 569002177 /nfs/dbraw/zinc/00/21/77/569002177.db2.gz QBQGDBVEHSKJAT-UHFFFAOYSA-N 0 0 419.959 5.067 50 30 HKEARN Cn1c(Cc2cccs2)nnc1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000014201008 559156258 /nfs/dbraw/zinc/15/62/58/559156258.db2.gz KFHBZBBMUSMQEW-UHFFFAOYSA-N 0 0 402.548 5.298 50 30 HKEARN CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C ZINC000014234780 558640885 /nfs/dbraw/zinc/64/08/85/558640885.db2.gz XXUPXHKCPIKWLR-JHUOEJJVSA-N 0 0 424.622 5.122 50 30 in-man HKEARN Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccc(F)cc1 ZINC000014235778 569258994 /nfs/dbraw/zinc/25/89/94/569258994.db2.gz AIZANLYMAFNJGZ-UHFFFAOYSA-N 0 0 400.482 5.452 50 30 HKEARN C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C1CC1 ZINC000014245136 559161528 /nfs/dbraw/zinc/16/15/28/559161528.db2.gz RMEKWIQSKYSZHY-UHFFFAOYSA-N 0 0 413.550 5.487 50 30 HKEARN COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC ZINC000014246514 559161464 /nfs/dbraw/zinc/16/14/64/559161464.db2.gz SJAHFWBBDARGDD-UHFFFAOYSA-N 0 0 404.491 5.120 50 30 HKEARN COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)cc1 ZINC000014250364 559161948 /nfs/dbraw/zinc/16/19/48/559161948.db2.gz PQNRAXGTRIVMBX-UHFFFAOYSA-N 0 0 406.825 5.043 50 30 HKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1 ZINC000014257459 558651524 /nfs/dbraw/zinc/65/15/24/558651524.db2.gz LRLCSIVXOFJCEW-AFUMVMLFSA-N 0 0 417.465 5.614 50 30 HKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000014257487 558651594 /nfs/dbraw/zinc/65/15/94/558651594.db2.gz JGFDWBNSLXIQDX-ZXVVBBHZSA-N 0 0 413.546 6.534 50 30 HKEARN C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2)c1=S ZINC000014308307 569259477 /nfs/dbraw/zinc/25/94/77/569259477.db2.gz KHLMDGJDJVNHIP-HXUWFJFHSA-N 0 0 406.555 5.070 50 30 HKEARN C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2)c1=S ZINC000014308308 569259462 /nfs/dbraw/zinc/25/94/62/569259462.db2.gz KHLMDGJDJVNHIP-FQEVSTJZSA-N 0 0 406.555 5.070 50 30 HKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 ZINC000014361422 569044141 /nfs/dbraw/zinc/04/41/41/569044141.db2.gz JYCMGYHFJFBPOG-YRNVUSSQSA-N 0 0 420.446 5.859 50 30 HKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 ZINC000014361423 569044157 /nfs/dbraw/zinc/04/41/57/569044157.db2.gz PBJWWVAIWIKWCX-UUILKARUSA-N 0 0 420.446 5.859 50 30 HKEARN COc1cc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC ZINC000014713120 560729728 /nfs/dbraw/zinc/72/97/28/560729728.db2.gz YDQNRZDJIWYMDK-UHFFFAOYSA-N 0 0 404.491 5.287 50 30 HKEARN C=CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)c1nc(-c2ccccc2)cs1 ZINC000014723484 569003655 /nfs/dbraw/zinc/00/36/55/569003655.db2.gz YEGFCWOXEMQTQE-UHFFFAOYSA-N 0 0 416.449 5.253 50 30 HKEARN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814168 560852576 /nfs/dbraw/zinc/85/25/76/560852576.db2.gz QSWUVGMDXVCQKR-QHCPKHFHSA-N 0 0 407.876 5.011 50 30 HKEARN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814170 560852491 /nfs/dbraw/zinc/85/24/91/560852491.db2.gz QSWUVGMDXVCQKR-HSZRJFAPSA-N 0 0 407.876 5.011 50 30 HKEARN N#Cc1c(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cn2ccccc12 ZINC000014853326 560869304 /nfs/dbraw/zinc/86/93/04/560869304.db2.gz UMSUOOPHUMQERH-UHFFFAOYSA-N 0 0 415.518 5.267 50 30 HKEARN CN(CN1c2ccccc2/C(=N\c2cccc(C(F)(F)F)c2)C1=O)C1CCCCC1 ZINC000014920698 568455633 /nfs/dbraw/zinc/45/56/33/568455633.db2.gz YOQGDIGWCOJIRX-SZXQPVLSSA-N 0 0 415.459 5.395 50 30 HKEARN Cc1ccc(/N=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000014920854 568455542 /nfs/dbraw/zinc/45/55/42/568455542.db2.gz AOZAYYLERXPJTM-UCQKPKSFSA-N 0 0 424.478 5.038 50 30 HKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c1 ZINC000014921573 527354338 /nfs/dbraw/zinc/35/43/38/527354338.db2.gz RGKMPIGLASVZHY-PCLIKHOPSA-N 0 0 417.852 6.680 50 30 HKEARN CC(=O)Nc1ccc(/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000014921979 568455491 /nfs/dbraw/zinc/45/54/91/568455491.db2.gz KSJJSQNYZJRUBY-OGLMXYFKSA-N 0 0 422.484 6.076 50 30 HKEARN Clc1ccc(CN=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(Cl)c1 ZINC000014922518 568455604 /nfs/dbraw/zinc/45/56/04/568455604.db2.gz PZLZJXGGIPVXFL-DHRITJCHSA-N 0 0 424.356 7.230 50 30 HKEARN CC(N=Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(Br)cc1 ZINC000014922750 568455561 /nfs/dbraw/zinc/45/55/61/568455561.db2.gz ZIPGKSSZIJYAHW-OYKKKHCWSA-N 0 0 422.351 6.562 50 30 HKEARN O=[N+]([O-])c1cc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)ccc1Cl ZINC000014922925 568455578 /nfs/dbraw/zinc/45/55/78/568455578.db2.gz ZXPVGRIBYXWTSM-PCLIKHOPSA-N 0 0 417.852 6.680 50 30 HKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N\c3ccc(Br)cc3)o2)c1 ZINC000014922977 568455599 /nfs/dbraw/zinc/45/55/99/568455599.db2.gz SYQHXVITBCTHFH-JMIUGGIZSA-N 0 0 405.635 6.021 50 30 HKEARN CCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000014923474 568455648 /nfs/dbraw/zinc/45/56/48/568455648.db2.gz LIAMPRZVSYQLQW-UHFFFAOYSA-N 0 0 422.937 5.986 50 30 HKEARN C=CCn1c(CN(C)Cc2c[nH]c3ccccc23)nnc1SCc1cccc(F)c1 ZINC000014981110 569004130 /nfs/dbraw/zinc/00/41/30/569004130.db2.gz YALYWSBGVPCGJY-UHFFFAOYSA-N 0 0 421.545 5.009 50 30 HKEARN C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cccs2)cc1 ZINC000014993320 518650501 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CCN(c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1)C(C)C ZINC000015152978 568818372 /nfs/dbraw/zinc/81/83/72/568818372.db2.gz LPHGNEAKGIJWEV-UHFFFAOYSA-N 0 0 413.521 5.477 50 30 HKEARN COc1ccc(N2C(=S)N=C(Nc3cc(Cl)ccc3C)C23CCCCC3)cc1 ZINC000015162152 524401649 /nfs/dbraw/zinc/40/16/49/524401649.db2.gz IHTWNWGRJIJMIR-UHFFFAOYSA-N 0 0 413.974 5.785 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000015187922 519473624 /nfs/dbraw/zinc/47/36/24/519473624.db2.gz MUWODVBIFVKXET-ZHACJKMWSA-N 0 0 416.424 5.743 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1)c1ccc(F)cc1F ZINC000015188004 519473992 /nfs/dbraw/zinc/47/39/92/519473992.db2.gz MRHTVMZTBSVFRW-VQHVLOKHSA-N 0 0 412.461 5.619 50 30 HKEARN COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(C)c(C)c3)cs2)cc1 ZINC000015188005 568818616 /nfs/dbraw/zinc/81/86/16/568818616.db2.gz NDUQXVFQFANGRA-KPKJPENVSA-N 0 0 406.507 5.349 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 ZINC000015188064 558727226 /nfs/dbraw/zinc/72/72/26/558727226.db2.gz UAYSIFNVDLISKS-OPDKFYFQSA-N 0 0 407.561 6.638 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)c1cccc(Cl)c1 ZINC000015188112 519474383 /nfs/dbraw/zinc/47/43/83/519474383.db2.gz IQYUIMUEFXUWLT-MDZDMXLPSA-N 0 0 400.862 5.516 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1)c1cccc(C)c1C ZINC000015189020 568818694 /nfs/dbraw/zinc/81/86/94/568818694.db2.gz QAVWXNRYMKYVFA-ZRDIBKRKSA-N 0 0 404.535 5.957 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1)c1cccc(Cl)c1 ZINC000015189021 568818621 /nfs/dbraw/zinc/81/86/21/568818621.db2.gz OPVMBPZTALSQRP-CSKARUKUSA-N 0 0 410.926 5.994 50 30 HKEARN COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(C)cc3C)cs2)cc1 ZINC000015189022 568818762 /nfs/dbraw/zinc/81/87/62/568818762.db2.gz MCGCXRAJQFCMND-WUXMJOGZSA-N 0 0 406.507 5.349 50 30 HKEARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000015220131 558728184 /nfs/dbraw/zinc/72/81/84/558728184.db2.gz FLHVPPZLQKSDTD-SHSCQTOKSA-N 0 0 401.535 6.105 50 30 HKEARN C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccc(Br)cc1 ZINC000015222492 569004719 /nfs/dbraw/zinc/00/47/19/569004719.db2.gz UUSSDIAYHDLFKE-XDOYNYLZSA-N 0 0 415.356 5.715 50 30 HKEARN O=C1/C(=C/C=C/c2ccccc2)CN(Cc2ccccc2)C/C1=C/C=C/c1ccccc1 ZINC000015224403 568819293 /nfs/dbraw/zinc/81/92/93/568819293.db2.gz ACUDLGCHGBLTCW-UIHYOUDHSA-N 0 0 417.552 6.351 50 30 HKEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000015224578 526095726 /nfs/dbraw/zinc/09/57/26/526095726.db2.gz LFSRLZQTXGMGOR-FOKLQQMPSA-N 0 0 415.349 6.457 50 30 HKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Br)c1 ZINC000015224776 558728503 /nfs/dbraw/zinc/72/85/03/558728503.db2.gz QWQKWSVYFHVHLI-AWQFTUOYSA-N 0 0 415.199 5.097 50 30 HKEARN COc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cn1 ZINC000015225724 523466317 /nfs/dbraw/zinc/46/63/17/523466317.db2.gz GFUDZNOOPYZEJB-RGVLZGJSSA-N 0 0 403.301 5.656 50 30 HKEARN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1Br ZINC000015225760 526343453 /nfs/dbraw/zinc/34/34/53/526343453.db2.gz NTRPBHDMVXYTQJ-AFUMVMLFSA-N 0 0 410.355 6.373 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000015226230 525434422 /nfs/dbraw/zinc/43/44/22/525434422.db2.gz JOVXUTFDBDXDTC-VULFUBBASA-N 0 0 417.534 5.690 50 30 HKEARN O=C(Nc1sc(N=NCc2cccs2)nc1-c1cccs1)c1ccco1 ZINC000015227857 558728976 /nfs/dbraw/zinc/72/89/76/558728976.db2.gz FMSCVRYOKNLHKS-VCHYOVAHSA-N 0 0 400.510 5.224 50 30 HKEARN Cc1oc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c(C#N)c1C ZINC000015228656 558728927 /nfs/dbraw/zinc/72/89/27/558728927.db2.gz GVHMRESRXRLJPT-CCVNUDIWSA-N 0 0 414.892 6.904 50 30 HKEARN COc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000015228756 568820991 /nfs/dbraw/zinc/82/09/91/568820991.db2.gz MQVMXXLAUMKKQA-JVWAILMASA-N 0 0 401.893 6.831 50 30 HKEARN Oc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000015228789 558728938 /nfs/dbraw/zinc/72/89/38/558728938.db2.gz ZSPQKNAKQHRSQE-KEBDBYFISA-N 0 0 408.704 6.303 50 30 HKEARN Cc1ccc(Sc2oc(/C=N/c3ccc4c(c3)OCO4)cc2Br)cc1 ZINC000015228996 558728955 /nfs/dbraw/zinc/72/89/55/558728955.db2.gz JMJQIPGCBWOGHS-UFFVCSGVSA-N 0 0 416.296 5.981 50 30 HKEARN CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C ZINC000015230312 558729244 /nfs/dbraw/zinc/72/92/44/558729244.db2.gz YUFQUBWPYIPRHZ-VFIVCBTMSA-N 0 0 404.642 9.065 50 30 HKEARN O=C1c2ccccc2C/C1=C\c1ccccc1OCc1ccc(Br)cc1 ZINC000015231468 558729164 /nfs/dbraw/zinc/72/91/64/558729164.db2.gz JGYWMTLXEAXKRX-XMHGGMMESA-N 0 0 405.291 5.851 50 30 HKEARN COc1cc2nc(SCc3ccc(C#N)cc3)cc(-c3ccccc3)c2c(OC)c1 ZINC000015544413 558743367 /nfs/dbraw/zinc/74/33/67/558743367.db2.gz SKQPZSUMHINQPS-UHFFFAOYSA-N 0 0 412.514 6.083 50 30 HKEARN CCOc1ccc(OCC)c(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 ZINC000015598136 558745544 /nfs/dbraw/zinc/74/55/44/558745544.db2.gz NGTMVVXZKIMYNU-JLHYYAGUSA-N 0 0 403.482 5.004 50 30 HKEARN C=CCN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccccc2)cs1 ZINC000015608249 518731345 /nfs/dbraw/zinc/73/13/45/518731345.db2.gz MAQSQFRRNYJGNG-UHFFFAOYSA-N 0 0 422.535 5.073 50 30 HKEARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015635729 526946294 /nfs/dbraw/zinc/94/62/94/526946294.db2.gz OLYOYBAFECCGND-OCIPIQTLSA-N 0 0 401.447 5.403 50 30 HKEARN O=[N+]([O-])c1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3[N+](=O)[O-])cccc12 ZINC000015635866 527397055 /nfs/dbraw/zinc/39/70/55/527397055.db2.gz YDXOIIKHCHXREZ-RYQLWAFASA-N 0 0 424.416 6.157 50 30 HKEARN COc1c(Cl)cc(Cl)cc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000015636196 558747009 /nfs/dbraw/zinc/74/70/09/558747009.db2.gz HKMCIVJXNHIZJI-NYAPKIOYSA-N 0 0 407.326 5.332 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S ZINC000015659751 518832621 /nfs/dbraw/zinc/83/26/21/518832621.db2.gz LLSHMAFLBOTNRZ-MHWRWJLKSA-N 0 0 420.353 5.405 50 30 HKEARN COc1ccc(OC)c(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000015660065 558747997 /nfs/dbraw/zinc/74/79/97/558747997.db2.gz OMPWJUUJZMBQQI-KEBDBYFISA-N 0 0 418.316 5.036 50 30 HKEARN Cc1cccc(C[C@@H]2S/C(=N\N=C\c3ccc(-c4ccc(Cl)cc4)o3)NC2=O)c1 ZINC000015685888 559061546 /nfs/dbraw/zinc/06/15/46/559061546.db2.gz YYWTYNQDBUNMIJ-AFEQLLIESA-N 0 0 423.925 5.073 50 30 HKEARN Cc1cc(C)cc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000015728919 568979452 /nfs/dbraw/zinc/97/94/52/568979452.db2.gz FAWIZIKXZKYDFX-UHFFFAOYSA-N 0 0 416.550 5.096 50 30 HKEARN C=CCN(C(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000015733446 568983108 /nfs/dbraw/zinc/98/31/08/568983108.db2.gz QTVLKRMUORQWSB-UHFFFAOYSA-N 0 0 411.461 5.002 50 30 HKEARN Oc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3O)cc2)cc1 ZINC000015772466 569012740 /nfs/dbraw/zinc/01/27/40/569012740.db2.gz FOJOYCANBIIZSA-XUIWWLCJSA-N 0 0 408.457 6.391 50 30 HKEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc3ccccc32)c2ccccc2)cc1 ZINC000015777268 525483017 /nfs/dbraw/zinc/48/30/17/525483017.db2.gz MNQRHOSJPAZUBD-UHFFFAOYSA-N 0 0 400.503 5.396 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3C)c3ccccc23)SC1=S ZINC000015800395 569005076 /nfs/dbraw/zinc/00/50/76/569005076.db2.gz NQSNBYWDUQHGNJ-BKUYFWCQSA-N 0 0 404.560 5.385 50 30 HKEARN C=CCSc1ccccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000015819148 569010522 /nfs/dbraw/zinc/01/05/22/569010522.db2.gz DLRZXQPFNKHEHL-UHFFFAOYSA-N 0 0 408.523 5.330 50 30 HKEARN C=CCSc1ccccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000015819461 569010503 /nfs/dbraw/zinc/01/05/03/569010503.db2.gz MPLDKAYTISAOTN-UHFFFAOYSA-N 0 0 419.550 5.043 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@@H]2c1ccco1 ZINC000015826302 520266031 /nfs/dbraw/zinc/26/60/31/520266031.db2.gz FQDIYEBDWUEAJP-RUZDIDTESA-N 0 0 416.496 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@H]2c1ccco1 ZINC000015826305 558754713 /nfs/dbraw/zinc/75/47/13/558754713.db2.gz FQDIYEBDWUEAJP-VWLOTQADSA-N 0 0 416.496 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@@H]2c1ccco1 ZINC000015826308 558754717 /nfs/dbraw/zinc/75/47/17/558754717.db2.gz IGYPCVUMKKVXLR-RUZDIDTESA-N 0 0 416.496 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@H]2c1ccco1 ZINC000015826311 558754771 /nfs/dbraw/zinc/75/47/71/558754771.db2.gz IGYPCVUMKKVXLR-VWLOTQADSA-N 0 0 416.496 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000015826314 520266641 /nfs/dbraw/zinc/26/66/41/520266641.db2.gz RNMWXUALAPLYNJ-RUZDIDTESA-N 0 0 416.496 6.235 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@H]2c1ccco1 ZINC000015826319 558754926 /nfs/dbraw/zinc/75/49/26/558754926.db2.gz RNMWXUALAPLYNJ-VWLOTQADSA-N 0 0 416.496 6.235 50 30 HKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)c1 ZINC000015826323 524411587 /nfs/dbraw/zinc/41/15/87/524411587.db2.gz SUFNSSXPHIUIHZ-SANMLTNESA-N 0 0 412.533 6.405 50 30 HKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)c1 ZINC000015826326 524410816 /nfs/dbraw/zinc/41/08/16/524410816.db2.gz SUFNSSXPHIUIHZ-AREMUKBSSA-N 0 0 412.533 6.405 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1cccs1 ZINC000015826330 520265248 /nfs/dbraw/zinc/26/52/48/520265248.db2.gz WUVFWRRKSPEQQK-RUZDIDTESA-N 0 0 414.574 6.565 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1cccs1 ZINC000015826333 558754858 /nfs/dbraw/zinc/75/48/58/558754858.db2.gz WUVFWRRKSPEQQK-VWLOTQADSA-N 0 0 414.574 6.565 50 30 HKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000015836946 523544679 /nfs/dbraw/zinc/54/46/79/523544679.db2.gz KDNVEHUCVGHZGI-SSZFMOIBSA-N 0 0 420.468 6.190 50 30 HKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(C)cc2)cc1OC ZINC000015837061 558755892 /nfs/dbraw/zinc/75/58/92/558755892.db2.gz CCITVKHSPOINNQ-SQFISAMPSA-N 0 0 424.500 5.761 50 30 HKEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000015837193 558756241 /nfs/dbraw/zinc/75/62/41/558756241.db2.gz BVUFUMOMVIUYOL-WAYWQWQTSA-N 0 0 416.058 5.473 50 30 HKEARN C=C(C)CSc1nn(C(C)C)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839361 569005097 /nfs/dbraw/zinc/00/50/97/569005097.db2.gz HYDHLNADYSWOJQ-QHCPKHFHSA-N 0 0 408.571 5.031 50 30 HKEARN C=C(C)CSc1nn(C(C)C)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839363 569005116 /nfs/dbraw/zinc/00/51/16/569005116.db2.gz HYDHLNADYSWOJQ-HSZRJFAPSA-N 0 0 408.571 5.031 50 30 HKEARN C=C(C)CSc1nn(CCC(C)C)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839374 518624645 /nfs/dbraw/zinc/62/46/45/518624645.db2.gz OYYCHUPECAELRN-UHFFFAOYSA-N 0 0 422.598 5.106 50 30 HKEARN C=C(C)Cn1nc(SCC(C)C)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839402 569005118 /nfs/dbraw/zinc/00/51/18/569005118.db2.gz ATAFSQUAUMWKPX-DEOSSOPVSA-N 0 0 422.598 5.106 50 30 HKEARN C=C(C)Cn1nc(SCC(C)C)n2c1nc1c(c2=O)[C@](C)(CC)Cc2ccccc2-1 ZINC000015839404 569005160 /nfs/dbraw/zinc/00/51/60/569005160.db2.gz ATAFSQUAUMWKPX-XMMPIXPASA-N 0 0 422.598 5.106 50 30 HKEARN C=C(C)Cn1nc(SCCC(C)C)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839406 518642201 /nfs/dbraw/zinc/64/22/01/518642201.db2.gz WLUBWZBXTBCUHO-UHFFFAOYSA-N 0 0 422.598 5.106 50 30 HKEARN C=C(C)CSc1nn(CC(C)C)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839501 518624944 /nfs/dbraw/zinc/62/49/44/518624944.db2.gz IJVXDZXDLZFCKO-DEOSSOPVSA-N 0 0 422.598 5.106 50 30 HKEARN C=C(C)CSc1nn(CC(C)C)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839503 569005092 /nfs/dbraw/zinc/00/50/92/569005092.db2.gz IJVXDZXDLZFCKO-XMMPIXPASA-N 0 0 422.598 5.106 50 30 HKEARN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1[NH+]1CCCC1 ZINC000015861647 569015621 /nfs/dbraw/zinc/01/56/21/569015621.db2.gz JMIDMHRHGOPQOA-HTAMCLIASA-N 0 0 421.654 5.692 50 30 HKEARN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1[NH+]1CCCC1 ZINC000015861648 569015558 /nfs/dbraw/zinc/01/55/58/569015558.db2.gz JMIDMHRHGOPQOA-CYSAALDASA-N 0 0 421.654 5.692 50 30 HKEARN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@@H]1[NH+]1CCCCC1 ZINC000015861685 569015593 /nfs/dbraw/zinc/01/55/93/569015593.db2.gz QPIQLOMAXGSOGW-XIPYDIPCSA-N 0 0 408.615 5.318 50 30 HKEARN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@H]1[NH+]1CCCCC1 ZINC000015861686 569015563 /nfs/dbraw/zinc/01/55/63/569015563.db2.gz QPIQLOMAXGSOGW-PCOHFRABSA-N 0 0 408.615 5.318 50 30 HKEARN CCOC(=O)c1ccc2c(c1)N(Cc1ccc(C#N)cc1)C(=O)c1ccccc1S2 ZINC000015864975 569016564 /nfs/dbraw/zinc/01/65/64/569016564.db2.gz BNXUERZBWXDATM-UHFFFAOYSA-N 0 0 414.486 5.047 50 30 HKEARN CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1C#N)C(=O)c1ccccc1S2 ZINC000015864976 569016580 /nfs/dbraw/zinc/01/65/80/569016580.db2.gz UKDHINXTGPCSRK-UHFFFAOYSA-N 0 0 414.486 5.047 50 30 HKEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000015880019 569017923 /nfs/dbraw/zinc/01/79/23/569017923.db2.gz VODQJUDQTSIJSG-UHFFFAOYSA-N 0 0 418.493 5.535 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000015910914 569020731 /nfs/dbraw/zinc/02/07/31/569020731.db2.gz SCNIQIFYGRPWLB-UHFFFAOYSA-N 0 0 405.457 5.710 50 30 HKEARN COc1ccc(-c2cc(-c3ccccc3)n3c4ccccc4nc3c2C#N)cc1OC ZINC000015910916 569020712 /nfs/dbraw/zinc/02/07/12/569020712.db2.gz KBOWJDQTBUNILX-UHFFFAOYSA-N 0 0 405.457 5.710 50 30 HKEARN Cc1cccc(N2C(=O)C[C@@H](SC(=Nc3ccccc3)Nc3ccccc3)C2=O)c1 ZINC000015919653 524534265 /nfs/dbraw/zinc/53/42/65/524534265.db2.gz GPPXCGOIFIIHAR-OAQYLSRUSA-N 0 0 415.518 5.160 50 30 HKEARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)ONC(=N)c1ccc(C(C)(C)C)cc1 ZINC000015924118 558762149 /nfs/dbraw/zinc/76/21/49/558762149.db2.gz BAWIKNJTMONHPS-UHFFFAOYSA-N 0 0 411.889 5.078 50 30 HKEARN O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015932693 558762799 /nfs/dbraw/zinc/76/27/99/558762799.db2.gz XCNPPMMIWPMXFF-DZNDYGJHSA-N 0 0 406.510 6.648 50 30 HKEARN CCCCc1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000015938249 571306859 /nfs/dbraw/zinc/30/68/59/571306859.db2.gz CPHLOLGYUXGFKO-SHPOAAFQSA-N 0 0 413.550 7.197 50 30 HKEARN COc1ccc(C(N=Nc2nc3ccccc3s2)=NNc2ccc(C)cc2)cc1 ZINC000015938251 571308865 /nfs/dbraw/zinc/30/88/65/571308865.db2.gz AXNJZUWEIQVIGU-VVEBWWBVSA-N 0 0 401.495 6.171 50 30 HKEARN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000015938272 520177077 /nfs/dbraw/zinc/17/70/77/520177077.db2.gz JWRKRPFCABLNRW-RVDMUPIBSA-N 0 0 409.121 5.800 50 30 HKEARN O=c1[nH]c2ccc(/N=C/c3cn(Cc4ccccc4Cl)c4ccccc34)cc2[nH]1 ZINC000015938849 558763026 /nfs/dbraw/zinc/76/30/26/558763026.db2.gz KIMSZHFMNMIGHI-BRJLIKDPSA-N 0 0 400.869 5.263 50 30 HKEARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000015940562 569023840 /nfs/dbraw/zinc/02/38/40/569023840.db2.gz MONGVNGAHQXSFU-UHFFFAOYSA-N 0 0 424.472 5.583 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(F)cc1 ZINC000015945267 558763488 /nfs/dbraw/zinc/76/34/88/558763488.db2.gz OHAXMGUZRLHFNE-QUOYTPRUSA-N 0 0 413.543 5.600 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\[C@H](C)c1ccccc1 ZINC000015945268 558763453 /nfs/dbraw/zinc/76/34/53/558763453.db2.gz PQVQKEMBEVUXHP-NKHLXSDDSA-N 0 0 423.607 5.890 50 30 HKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCC3)cc1 ZINC000015945838 558763445 /nfs/dbraw/zinc/76/34/45/558763445.db2.gz ZFZUEUPUYWLTMB-ZMOGYAJESA-N 0 0 422.506 5.318 50 30 HKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCC3)c1 ZINC000015946407 558763408 /nfs/dbraw/zinc/76/34/08/558763408.db2.gz AQPVCFBBBYCHCM-AFUMVMLFSA-N 0 0 424.953 6.292 50 30 HKEARN Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccc(Cl)cc2)cc1 ZINC000015979717 558765156 /nfs/dbraw/zinc/76/51/56/558765156.db2.gz XBMPBTVFQASWDA-ZMOGYAJESA-N 0 0 406.825 5.866 50 30 HKEARN CCOC(=O)c1oc2ccccc2c1CSc1nc2ccccc2n1CCC#N ZINC000015981147 521609395 /nfs/dbraw/zinc/60/93/95/521609395.db2.gz XQSQSJHZGRNRPS-UHFFFAOYSA-N 0 0 405.479 5.165 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000016034124 569028055 /nfs/dbraw/zinc/02/80/55/569028055.db2.gz JISHOKNCLQUPRG-GSDHBNRESA-N 0 0 415.496 5.279 50 30 HKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](c2ccc(F)cc2)C1(C#N)C#N ZINC000016034248 569357179 /nfs/dbraw/zinc/35/71/79/569357179.db2.gz OQDJRLNLVPDQLH-RJGXRXQPSA-N 0 0 413.496 5.151 50 30 HKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000016035566 569046767 /nfs/dbraw/zinc/04/67/67/569046767.db2.gz CMKOAJXPUJTPEP-FPYGCLRLSA-N 0 0 419.168 5.548 50 30 HKEARN O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000016035567 569046801 /nfs/dbraw/zinc/04/68/01/569046801.db2.gz GBUSUZNTEOSAHC-UNXLUWIOSA-N 0 0 421.380 5.194 50 30 HKEARN O=C1[C@H](C[C@@H]2CCC[C@@]3(OC34CCCCC4)C2=O)CCC[C@@]12OC21CCCCC1 ZINC000016036406 560654833 /nfs/dbraw/zinc/65/48/33/560654833.db2.gz SRXHLHLYMDYESA-QKFIJCJASA-N 0 0 400.559 5.059 50 30 biogenic HKEARN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(Br)c1 ZINC000016134008 519150801 /nfs/dbraw/zinc/15/08/01/519150801.db2.gz QSZZXAYJTHHTGH-ZZEZOPTASA-N 0 0 416.300 5.306 50 30 HKEARN C=CCN1C(=O)/C(=C\C=C2/Oc3ccc(-c4ccccc4)cc3N2CC)SC1=S ZINC000016134272 569005254 /nfs/dbraw/zinc/00/52/54/569005254.db2.gz HYXGOFLHKDYZQF-STLXZYOISA-N 0 0 420.559 5.344 50 30 HKEARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 ZINC000016162180 558774837 /nfs/dbraw/zinc/77/48/37/558774837.db2.gz XWTJBIKFCUIWKU-UHFFFAOYSA-N 0 0 419.843 5.974 50 30 HKEARN COc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195581 558778045 /nfs/dbraw/zinc/77/80/45/558778045.db2.gz HRGOSLYHWDMWSR-FBCYGCLPSA-N 0 0 405.075 5.152 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000016196198 519017031 /nfs/dbraw/zinc/01/70/31/519017031.db2.gz QAZIPEQYJZIOMQ-WQRHYEAKSA-N 0 0 417.939 5.319 50 30 HKEARN COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000016216827 569029913 /nfs/dbraw/zinc/02/99/13/569029913.db2.gz MIXSSNUWRKUFMU-UHFFFAOYSA-N 0 0 408.526 6.588 50 30 HKEARN COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)cc1Cl ZINC000016226899 558779746 /nfs/dbraw/zinc/77/97/46/558779746.db2.gz IVDBVIAKIMZZMU-XDHOZWIPSA-N 0 0 410.882 5.500 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000016249735 525433402 /nfs/dbraw/zinc/43/34/02/525433402.db2.gz KRLLQKBQADHBDF-CVKSISIWSA-N 0 0 419.594 6.230 50 30 HKEARN Cn1ccnc1[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261738 558781864 /nfs/dbraw/zinc/78/18/64/558781864.db2.gz QHSJRVCWMLUTQU-DEOSSOPVSA-N 0 0 415.924 6.029 50 30 HKEARN Cn1ccnc1[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000016261739 558781752 /nfs/dbraw/zinc/78/17/52/558781752.db2.gz QHSJRVCWMLUTQU-XMMPIXPASA-N 0 0 415.924 6.029 50 30 HKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Br)s3)S2)cc1Cl ZINC000016267529 558782459 /nfs/dbraw/zinc/78/24/59/558782459.db2.gz IPLUBXBWYXFMJG-GHXNOFRVSA-N 0 0 413.749 5.364 50 30 HKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 ZINC000016267682 558782501 /nfs/dbraw/zinc/78/25/01/558782501.db2.gz RWLKYPLLPZEYOG-NVNXTCNLSA-N 0 0 423.719 5.008 50 30 HKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(O)ccc3Br)S2)cc1Cl ZINC000016267745 558782487 /nfs/dbraw/zinc/78/24/87/558782487.db2.gz TVMZAXJJPYGBPL-CHHVJCJISA-N 0 0 423.719 5.008 50 30 HKEARN Cc1c(Cl)cccc1N=C1NC(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)S1 ZINC000016267789 558782440 /nfs/dbraw/zinc/78/24/40/558782440.db2.gz ZGKQBQFDCNGNQM-PFONDFGASA-N 0 0 414.830 5.260 50 30 HKEARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)oc2c(C)c1 ZINC000016268719 569030374 /nfs/dbraw/zinc/03/03/74/569030374.db2.gz HGSKEFANMDRZEH-UHFFFAOYSA-N 0 0 419.843 6.028 50 30 HKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000016291616 558783969 /nfs/dbraw/zinc/78/39/69/558783969.db2.gz LGFVWTBUIVHXCK-JTUXUYRKSA-N 0 0 414.530 6.121 50 30 HKEARN COc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 ZINC000016310139 558785071 /nfs/dbraw/zinc/78/50/71/558785071.db2.gz RIFZSOXSHUJFIY-IMRQLAEWSA-N 0 0 424.504 5.298 50 30 HKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000016310821 558785271 /nfs/dbraw/zinc/78/52/71/558785271.db2.gz GIHVLLGPBSDCRL-YACCPEJUSA-N 0 0 402.475 5.209 50 30 HKEARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(C#N)cc1F ZINC000016319915 569031372 /nfs/dbraw/zinc/03/13/72/569031372.db2.gz ZOMAFONPJOESDM-UHFFFAOYSA-N 0 0 421.435 5.145 50 30 HKEARN Cc1ccccc1C(=O)O/N=C1/c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000016362625 525066260 /nfs/dbraw/zinc/06/62/60/525066260.db2.gz YFSJICJKANZCKK-FVDSYPCUSA-N 0 0 420.468 5.256 50 30 HKEARN O=[N+]([O-])c1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1Cl ZINC000016384267 558789036 /nfs/dbraw/zinc/78/90/36/558789036.db2.gz IMUBXKKNFIGVTK-QFSHWATDSA-N 0 0 415.652 5.269 50 30 HKEARN Cc1ccccc1-c1cc(C(=O)Nc2sccc2C#N)c2ccc(Cl)c(C)c2n1 ZINC000016392482 569040874 /nfs/dbraw/zinc/04/08/74/569040874.db2.gz SIJZXPBIZILGDZ-UHFFFAOYSA-N 0 0 417.921 6.358 50 30 HKEARN Cc1sc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c(C#N)c1C ZINC000016392525 569040865 /nfs/dbraw/zinc/04/08/65/569040865.db2.gz LDCKYNCQZSLDGI-UHFFFAOYSA-N 0 0 418.909 5.753 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1O)c1c(ccc3ccccc31)N2 ZINC000016393857 559077244 /nfs/dbraw/zinc/07/72/44/559077244.db2.gz BPHCDKWGLMCFMN-QFIPXVFZSA-N 0 0 420.306 5.872 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cc(Br)ccc1O)c1c(ccc3ccccc31)N2 ZINC000016393860 526967895 /nfs/dbraw/zinc/96/78/95/526967895.db2.gz BPHCDKWGLMCFMN-JOCHJYFZSA-N 0 0 420.306 5.872 50 30 HKEARN N#Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])scc1-c1ccc(Cl)c(Cl)c1 ZINC000016400327 569041130 /nfs/dbraw/zinc/04/11/30/569041130.db2.gz RVLRAWKJBWDMEW-UHFFFAOYSA-N 0 0 418.261 5.754 50 30 HKEARN CC(=O)Nc1ccc(/C=C2\CC(C)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000016405626 558790071 /nfs/dbraw/zinc/79/00/71/558790071.db2.gz OXSDDPZXDPLBKP-BILXGNRESA-N 0 0 402.494 5.069 50 30 HKEARN COc1cc(/C=C/C(=O)c2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000016406320 521939816 /nfs/dbraw/zinc/93/98/16/521939816.db2.gz MVSCHQXQIMSUHX-MDZDMXLPSA-N 0 0 424.294 5.328 50 30 HKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\S/C(=N\c2c(C)cccc2C)NC1=O ZINC000016440368 569051373 /nfs/dbraw/zinc/05/13/73/569051373.db2.gz WTLANZNRIOFIDH-PDGQHHTCSA-N 0 0 422.941 5.343 50 30 HKEARN Clc1ccc(Nc2nnc(N=NCc3ccccc3Cl)c3ccccc32)cc1 ZINC000016449058 558791934 /nfs/dbraw/zinc/79/19/34/558791934.db2.gz FUIHWCACFWVEID-ZMOGYAJESA-N 0 0 408.292 6.126 50 30 HKEARN N#Cc1ccccc1COc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000016449856 558792216 /nfs/dbraw/zinc/79/22/16/558792216.db2.gz MEAFGJZTMOQANZ-ORBVJSQLSA-N 0 0 417.337 5.279 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000016451061 569051715 /nfs/dbraw/zinc/05/17/15/569051715.db2.gz GKUUCOHBFREKSI-STZFKDTASA-N 0 0 420.921 5.811 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000016451120 527041791 /nfs/dbraw/zinc/04/17/91/527041791.db2.gz PHILFMMEEVFMMS-GZTJUZNOSA-N 0 0 415.301 6.145 50 30 HKEARN O=C(OCc1ccccc1)N1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 ZINC000016480270 526427204 /nfs/dbraw/zinc/42/72/04/526427204.db2.gz PNVQIZTXRLTGFH-KLCVKJMQSA-N 0 0 421.543 5.498 50 30 HKEARN Oc1ccc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000016511714 558795037 /nfs/dbraw/zinc/79/50/37/558795037.db2.gz KZJASSYBCCMNCT-MFKUBSTISA-N 0 0 400.869 5.616 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000016524944 558795198 /nfs/dbraw/zinc/79/51/98/558795198.db2.gz IBQYSSJTNSLJNR-DEOSSOPVSA-N 0 0 404.897 6.114 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000016524946 558795191 /nfs/dbraw/zinc/79/51/91/558795191.db2.gz IBQYSSJTNSLJNR-XMMPIXPASA-N 0 0 404.897 6.114 50 30 HKEARN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1cccc3ccccc13)CCCC2 ZINC000016526177 560860976 /nfs/dbraw/zinc/86/09/76/560860976.db2.gz NLGRIBCHQMYIMP-WPWMEQJKSA-N 0 0 416.590 6.593 50 30 HKEARN O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000016545375 558795567 /nfs/dbraw/zinc/79/55/67/558795567.db2.gz QNEZNLULZBKVNY-HPVIMXLTSA-N 0 0 407.886 6.517 50 30 HKEARN CC(C)Oc1ccc(Br)cc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000016575654 558796042 /nfs/dbraw/zinc/79/60/42/558796042.db2.gz IHRZCBNDSTXLLX-TXNBCWFRSA-N 0 0 423.179 5.378 50 30 HKEARN CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000016609910 558796705 /nfs/dbraw/zinc/79/67/05/558796705.db2.gz PLXKQCRMTIVCSQ-CVKSISIWSA-N 0 0 422.912 6.027 50 30 HKEARN CCCCSc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@@H](C)C3)C2=O)cc1 ZINC000016639413 569061272 /nfs/dbraw/zinc/06/12/72/569061272.db2.gz GHIXGCLUBUAZSH-WJHCFOETSA-N 0 0 421.610 5.736 50 30 HKEARN CCCCSc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1 ZINC000016639415 569061306 /nfs/dbraw/zinc/06/13/06/569061306.db2.gz GHIXGCLUBUAZSH-BOKVAXDPSA-N 0 0 421.610 5.736 50 30 HKEARN C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000016656365 569005380 /nfs/dbraw/zinc/00/53/80/569005380.db2.gz NTZFSBSAISSCQY-UHFFFAOYSA-N 0 0 404.322 5.413 50 30 HKEARN Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000016663434 558798373 /nfs/dbraw/zinc/79/83/73/558798373.db2.gz KNZTWUHOXYSUAR-RWPZCVJISA-N 0 0 421.331 6.748 50 30 HKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccccc3)c([N+](=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000016667004 558798533 /nfs/dbraw/zinc/79/85/33/558798533.db2.gz FCKWNKUEZFLLMM-MTDXEUNCSA-N 0 0 423.476 5.863 50 30 HKEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000016667108 525825272 /nfs/dbraw/zinc/82/52/72/525825272.db2.gz FTOCXXJMYWJWTL-ZVHZXABRSA-N 0 0 417.310 5.814 50 30 HKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000016667160 558798538 /nfs/dbraw/zinc/79/85/38/558798538.db2.gz ACDHVMDGRIHIOW-WOJGMQOQSA-N 0 0 415.301 6.145 50 30 HKEARN O=C1/C(=C/c2ccccc2C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000016667657 558798528 /nfs/dbraw/zinc/79/85/28/558798528.db2.gz BCPOALWUMJLPKM-WVAYHADSSA-N 0 0 424.447 6.514 50 30 HKEARN COc1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc(Br)c1O ZINC000016671937 558798644 /nfs/dbraw/zinc/79/86/44/558798644.db2.gz NOFWFOSFABUOAK-KPSZGOFPSA-N 0 0 424.509 5.570 50 30 HKEARN O=c1c(C=[NH+]Cc2ccccc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000016672037 558798626 /nfs/dbraw/zinc/79/86/26/558798626.db2.gz LDBOQPARRRXKEB-PCLIKHOPSA-N 0 0 410.502 5.061 50 30 HKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(Br)cc2)o1 ZINC000016675809 558798807 /nfs/dbraw/zinc/79/88/07/558798807.db2.gz IKFFAZSSRFHCMZ-RGVLZGJSSA-N 0 0 416.231 5.072 50 30 HKEARN Oc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000016677499 558798983 /nfs/dbraw/zinc/79/89/83/558798983.db2.gz GVVWEYZUTWAVKQ-YDZHTSKRSA-N 0 0 419.282 5.211 50 30 HKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000016677514 558798975 /nfs/dbraw/zinc/79/89/75/558798975.db2.gz INIDIEMBPQJTJG-ZMOGYAJESA-N 0 0 421.273 5.644 50 30 HKEARN Oc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000016677583 558798936 /nfs/dbraw/zinc/79/89/36/558798936.db2.gz DKFLDKBEVONTOR-YDZHTSKRSA-N 0 0 419.282 5.211 50 30 HKEARN Fc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000016677699 558798967 /nfs/dbraw/zinc/79/89/67/558798967.db2.gz BKKLVUHOIGRFIR-ZMOGYAJESA-N 0 0 421.273 5.644 50 30 HKEARN CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1OC ZINC000016684176 558799699 /nfs/dbraw/zinc/79/96/99/558799699.db2.gz FYZQDYFJYSRMLA-MFOYZWKCSA-N 0 0 423.321 5.292 50 30 HKEARN C=CCOc1c(Cl)cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1OCC ZINC000016688408 558799914 /nfs/dbraw/zinc/79/99/14/558799914.db2.gz SHAAMHMMHYUQOI-ZNLRHDTNSA-N 0 0 420.765 5.445 50 30 HKEARN Cc1noc(C)c1CSc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N ZINC000016699445 569261129 /nfs/dbraw/zinc/26/11/29/569261129.db2.gz YEVDUBNKHHQZPI-UHFFFAOYSA-N 0 0 419.535 5.223 50 30 HKEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C/c1ccc(-c2ccccc2)o1 ZINC000016711729 518844289 /nfs/dbraw/zinc/84/42/89/518844289.db2.gz LMJBAFBJSQSOCM-XCHGRPGXSA-N 0 0 415.518 5.009 50 30 HKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 ZINC000016713888 569261415 /nfs/dbraw/zinc/26/14/15/569261415.db2.gz BCZLASSHPIFUBY-UHFFFAOYSA-N 0 0 414.452 6.248 50 30 HKEARN COc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1OC ZINC000016719039 558802050 /nfs/dbraw/zinc/80/20/50/558802050.db2.gz WZUYAQCVSNEKFJ-WMOWQXFYSA-N 0 0 416.502 5.512 50 30 HKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)OCC)n2)cc1 ZINC000016728818 569261816 /nfs/dbraw/zinc/26/18/16/569261816.db2.gz ZFCYJAKLQCNNHB-UHFFFAOYSA-N 0 0 424.444 5.083 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1F ZINC000016730213 569261817 /nfs/dbraw/zinc/26/18/17/569261817.db2.gz VMNOTSMTELIBDS-UHFFFAOYSA-N 0 0 422.834 6.724 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(F)cc1 ZINC000016730216 569261804 /nfs/dbraw/zinc/26/18/04/569261804.db2.gz WPLYYSWLTFWORG-UHFFFAOYSA-N 0 0 422.834 6.724 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccc(F)cc1 ZINC000016730559 569261789 /nfs/dbraw/zinc/26/17/89/569261789.db2.gz KYKAZIIDVPKCEN-UHFFFAOYSA-N 0 0 406.379 6.210 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1Cl ZINC000016730619 569261807 /nfs/dbraw/zinc/26/18/07/569261807.db2.gz PHCWKZYCELZKJI-UHFFFAOYSA-N 0 0 422.834 6.724 50 30 HKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000016730655 558802175 /nfs/dbraw/zinc/80/21/75/558802175.db2.gz FAHOPYHUUMHVDI-UHFFFAOYSA-N 0 0 418.871 6.893 50 30 HKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000016730658 558802147 /nfs/dbraw/zinc/80/21/47/558802147.db2.gz GJSBPBDYXQBDKT-UHFFFAOYSA-N 0 0 418.871 6.893 50 30 HKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc21 ZINC000016731632 558802203 /nfs/dbraw/zinc/80/22/03/558802203.db2.gz DYYSQSFWBZGBBP-XMMPIXPASA-N 0 0 420.468 5.013 50 30 HKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc2ccccc21 ZINC000016731635 558802151 /nfs/dbraw/zinc/80/21/51/558802151.db2.gz DYYSQSFWBZGBBP-DEOSSOPVSA-N 0 0 420.468 5.013 50 30 HKEARN CCCCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N ZINC000016732273 558802420 /nfs/dbraw/zinc/80/24/20/558802420.db2.gz IHXSNHYRNXZERE-UHFFFAOYSA-N 0 0 415.278 6.294 50 30 HKEARN CC(=O)Nc1sc(N=NCc2cccc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000016734729 558802583 /nfs/dbraw/zinc/80/25/83/558802583.db2.gz IAKVITXBOIDXCC-ZMOGYAJESA-N 0 0 420.925 6.021 50 30 HKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000016735764 524052291 /nfs/dbraw/zinc/05/22/91/524052291.db2.gz LPHIUZRNJOJTPB-DEOSSOPVSA-N 0 0 411.501 5.336 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000016735767 558802721 /nfs/dbraw/zinc/80/27/21/558802721.db2.gz LPHIUZRNJOJTPB-XMMPIXPASA-N 0 0 411.501 5.336 50 30 HKEARN CC(C)c1nc(C#N)c(N=NCc2cn(-c3ccccc3)nc2-c2cccs2)o1 ZINC000016736541 558802820 /nfs/dbraw/zinc/80/28/20/558802820.db2.gz DCTDXTOPWKOSRX-FMCGGJTJSA-N 0 0 402.483 5.030 50 30 HKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000016736696 558802806 /nfs/dbraw/zinc/80/28/06/558802806.db2.gz NFSBEGUMUMWDMQ-VDZCTEQFSA-N 0 0 419.864 5.111 50 30 HKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000016736698 527630236 /nfs/dbraw/zinc/63/02/36/527630236.db2.gz NFSBEGUMUMWDMQ-LEQVUBRHSA-N 0 0 419.864 5.111 50 30 HKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016741348 558803558 /nfs/dbraw/zinc/80/35/58/558803558.db2.gz CHFNILJMRIFTAF-QHCPKHFHSA-N 0 0 417.505 5.139 50 30 HKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016741349 558803544 /nfs/dbraw/zinc/80/35/44/558803544.db2.gz CHFNILJMRIFTAF-HSZRJFAPSA-N 0 0 417.505 5.139 50 30 HKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741707 558803721 /nfs/dbraw/zinc/80/37/21/558803721.db2.gz WMUZCLWYCGAEBO-OAQYLSRUSA-N 0 0 407.510 5.029 50 30 HKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016741708 558803704 /nfs/dbraw/zinc/80/37/04/558803704.db2.gz WMUZCLWYCGAEBO-NRFANRHFSA-N 0 0 407.510 5.029 50 30 HKEARN COc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000016742202 558804159 /nfs/dbraw/zinc/80/41/59/558804159.db2.gz ZNWFGQOONWVYAY-WSDLNYQXSA-N 0 0 420.848 5.492 50 30 HKEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)O2 ZINC000016742562 558804268 /nfs/dbraw/zinc/80/42/68/558804268.db2.gz AITMLQDCBLUORI-ODLFYWEKSA-N 0 0 414.335 5.368 50 30 HKEARN Cc1cccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000016745272 558804300 /nfs/dbraw/zinc/80/43/00/558804300.db2.gz PMALUQRSVPDJBE-YWROOUKNSA-N 0 0 400.503 5.818 50 30 HKEARN COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000016745274 558804235 /nfs/dbraw/zinc/80/42/35/558804235.db2.gz UFIKROPRKYADRC-JTUXUYRKSA-N 0 0 414.530 6.121 50 30 HKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1C ZINC000016745747 558804428 /nfs/dbraw/zinc/80/44/28/558804428.db2.gz BAJXYNPAUNXZHX-YWROOUKNSA-N 0 0 400.503 5.818 50 30 HKEARN CCOC(=O)Nc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000016751448 558804871 /nfs/dbraw/zinc/80/48/71/558804871.db2.gz DCJFETLNBXMDEG-ZVHZXABRSA-N 0 0 422.554 6.256 50 30 HKEARN CCOC(=O)Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(C)cc1 ZINC000016751454 558804899 /nfs/dbraw/zinc/80/48/99/558804899.db2.gz FFBWXURBAFPACB-ZREQCHBWSA-N 0 0 406.511 5.798 50 30 HKEARN CCOC(=O)Nc1sc(N=NCc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000016751457 558804867 /nfs/dbraw/zinc/80/48/67/558804867.db2.gz ONCOHIUCYHOSJD-WSDLNYQXSA-N 0 0 414.918 5.786 50 30 HKEARN CCOC(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1ccc(C)cc1 ZINC000016751495 520998500 /nfs/dbraw/zinc/99/85/00/520998500.db2.gz PKPWNRCCWUDDDO-WSDLNYQXSA-N 0 0 414.918 5.786 50 30 HKEARN O=C(Nc1sc(N=NCc2ccco2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016751615 558804921 /nfs/dbraw/zinc/80/49/21/558804921.db2.gz JKDRCGQSMKTZGM-YDZHTSKRSA-N 0 0 406.442 5.241 50 30 HKEARN O=C(Nc1sc(N=NCc2cccs2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016751631 558804902 /nfs/dbraw/zinc/80/49/02/558804902.db2.gz RNENSEPVTVAIHM-YDZHTSKRSA-N 0 0 422.510 5.709 50 30 HKEARN O=C(Nc1sc(N=NCc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016751647 558804875 /nfs/dbraw/zinc/80/48/75/558804875.db2.gz YEWTZGZILYQZMZ-MFKUBSTISA-N 0 0 416.481 5.648 50 30 HKEARN O=C(Nc1sc(N=NCc2ccco2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000016751728 558804852 /nfs/dbraw/zinc/80/48/52/558804852.db2.gz MXJJGKSELIUNDF-YDZHTSKRSA-N 0 0 422.897 5.755 50 30 HKEARN Cc1ccc(-c2nc(N=NCc3ccco3)sc2NC(=O)Cc2ccccc2)cc1 ZINC000016753135 558805296 /nfs/dbraw/zinc/80/52/96/558805296.db2.gz MNBZYJBXPWQKKZ-BUVRLJJBSA-N 0 0 416.506 5.339 50 30 HKEARN CC(C)C(=O)Nc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000016753156 519531887 /nfs/dbraw/zinc/53/18/87/519531887.db2.gz XLFUMAAOQLDHEU-ZVHZXABRSA-N 0 0 406.555 5.974 50 30 HKEARN CCOC(=O)Nc1sc(N=NCc2ccc(OC)cc2)nc1-c1ccc(C)cc1 ZINC000016753324 520999264 /nfs/dbraw/zinc/99/92/64/520999264.db2.gz YSMBZNGKRMLQGI-LPYMAVHISA-N 0 0 410.499 5.142 50 30 HKEARN Fc1cccc(Cl)c1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000016755040 569262466 /nfs/dbraw/zinc/26/24/66/569262466.db2.gz MOXVVMQXKIZUME-YXSASFKJSA-N 0 0 400.693 6.355 50 30 HKEARN COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000016769995 523470545 /nfs/dbraw/zinc/47/05/45/523470545.db2.gz DNHSZHMWLWETOR-WMOWQXFYSA-N 0 0 416.502 5.512 50 30 HKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1ccc(Cl)cc1 ZINC000016778826 569262877 /nfs/dbraw/zinc/26/28/77/569262877.db2.gz QQIJFUZNRAMMLC-UHFFFAOYSA-N 0 0 424.978 6.257 50 30 HKEARN C[C@@H]1CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C[C@H](C)O1 ZINC000016778830 569262825 /nfs/dbraw/zinc/26/28/25/569262825.db2.gz PYGNXTJURVVWHJ-IYBDPMFKSA-N 0 0 423.900 5.059 50 30 HKEARN C=C(C)Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccncc1 ZINC000016788658 569005436 /nfs/dbraw/zinc/00/54/36/569005436.db2.gz DACBQKBKNZWHMV-UHFFFAOYSA-N 0 0 400.507 5.044 50 30 HKEARN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000016804926 569263184 /nfs/dbraw/zinc/26/31/84/569263184.db2.gz RIGRDZSRENQBOI-IVBPLKSUSA-N 0 0 401.510 5.729 50 30 HKEARN Cc1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000016805401 569263155 /nfs/dbraw/zinc/26/31/55/569263155.db2.gz IQWLOEBTILQKDQ-UHFFFAOYSA-N 0 0 418.871 6.893 50 30 HKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccc(Cl)cc1 ZINC000016805540 569263146 /nfs/dbraw/zinc/26/31/46/569263146.db2.gz BRXWHUGIPMUBHO-UHFFFAOYSA-N 0 0 422.834 6.724 50 30 HKEARN CC(C)C(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000016806592 519533018 /nfs/dbraw/zinc/53/30/18/519533018.db2.gz HQHXPTNHBCCFMU-FOKLQQMPSA-N 0 0 416.909 5.643 50 30 HKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(Cl)c(Cl)c1 ZINC000016890315 569266719 /nfs/dbraw/zinc/26/67/19/569266719.db2.gz NAMXRCMHEKLTKH-UHFFFAOYSA-N 0 0 416.333 5.663 50 30 HKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(C(F)(F)F)cc1 ZINC000016890317 519154189 /nfs/dbraw/zinc/15/41/89/519154189.db2.gz MQHNGIQOJYZOJI-UHFFFAOYSA-N 0 0 415.440 5.375 50 30 HKEARN CN(C)c1ccc(C=C2SC(=NNc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000016901272 558809064 /nfs/dbraw/zinc/80/90/64/558809064.db2.gz XRVAONSXMYFMEW-CVXQDMMISA-N 0 0 414.534 5.257 50 30 HKEARN COc1ccc(OC)c(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000016901507 524802995 /nfs/dbraw/zinc/80/29/95/524802995.db2.gz FXDRPDWGXHWBMW-NKVSQWTQSA-N 0 0 408.310 5.580 50 30 HKEARN O=C(/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016923145 558809192 /nfs/dbraw/zinc/80/91/92/558809192.db2.gz KTIVNHNHGQMXFP-ZUSIYWPSSA-N 0 0 416.480 5.646 50 30 HKEARN Cc1ccc(C(=O)CC(N=Nc2nc(-c3ccc(F)cc3)cs2)C(F)(F)F)cc1 ZINC000016949162 559087243 /nfs/dbraw/zinc/08/72/43/559087243.db2.gz YBHWMWMTDKVUOQ-ITYLOYPMSA-N 0 0 421.419 5.861 50 30 HKEARN O=C1/C(=C\c2c(Cl)cccc2Cl)CCC/C1=C/c1c(Cl)cccc1Cl ZINC000016955879 569268695 /nfs/dbraw/zinc/26/86/95/569268695.db2.gz QGRADUQJYBJJER-MIMPSMLTSA-N 0 0 412.143 7.520 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000016956671 558810210 /nfs/dbraw/zinc/81/02/10/558810210.db2.gz ARGQGLBWBZQVBB-QHCPKHFHSA-N 0 0 419.481 5.148 50 30 HKEARN COc1cc(/C=C/C=C2/CC/C(=C/C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000016958688 569268917 /nfs/dbraw/zinc/26/89/17/569268917.db2.gz GYYPECSETJYYJN-JITUQJRDSA-N 0 0 404.462 5.057 50 30 HKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)CCC/C1=C/c1ccc(Cl)cc1Cl ZINC000016970720 526946881 /nfs/dbraw/zinc/94/68/81/526946881.db2.gz KZJYHNUZXHLSFI-SFGFDRCGSA-N 0 0 412.143 7.520 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016971289 558810770 /nfs/dbraw/zinc/81/07/70/558810770.db2.gz YPKNPEQUCGNMFS-OAQYLSRUSA-N 0 0 403.865 5.431 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016971292 558810830 /nfs/dbraw/zinc/81/08/30/558810830.db2.gz YPKNPEQUCGNMFS-NRFANRHFSA-N 0 0 403.865 5.431 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1ccccc1Cl ZINC000016971310 558810806 /nfs/dbraw/zinc/81/08/06/558810806.db2.gz MBMNAAZTSJKXFK-FQEVSTJZSA-N 0 0 420.900 5.237 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1cc(F)cc(F)c1 ZINC000016972067 519476826 /nfs/dbraw/zinc/47/68/26/519476826.db2.gz DIWNSEKJRXMSCD-PSLXWICFSA-N 0 0 410.464 5.374 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1cc(F)cc(F)c1 ZINC000016972074 569269626 /nfs/dbraw/zinc/26/96/26/569269626.db2.gz DIWNSEKJRXMSCD-LFVRLGFBSA-N 0 0 410.464 5.374 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1cc(F)cc(F)c1 ZINC000016972080 569269663 /nfs/dbraw/zinc/26/96/63/569269663.db2.gz DIWNSEKJRXMSCD-FATZIPQQSA-N 0 0 410.464 5.374 50 30 HKEARN Oc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)cc2)cc1 ZINC000016972372 569005113 /nfs/dbraw/zinc/00/51/13/569005113.db2.gz IZTPTYSXRJXWAB-UOSOPFLXSA-N 0 0 406.485 6.190 50 30 HKEARN S=C1N=NC(c2ccccc2Br)N1N=CC(Cl)=Cc1ccccc1 ZINC000016975100 558811026 /nfs/dbraw/zinc/81/10/26/558811026.db2.gz HAKZMRHGSWHRFI-ULCUFOFXSA-N 0 0 419.735 5.110 50 30 HKEARN S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000016975738 558810946 /nfs/dbraw/zinc/81/09/46/558810946.db2.gz YVPKMKNRHILFSZ-ZVHZXABRSA-N 0 0 420.925 5.348 50 30 HKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000016976936 558811031 /nfs/dbraw/zinc/81/10/31/558811031.db2.gz DAVGTTCBPUSWRB-IZHWHUGBSA-N 0 0 416.452 5.485 50 30 HKEARN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)Nc1ccc(Br)cc1 ZINC000016977222 569270002 /nfs/dbraw/zinc/27/00/02/569270002.db2.gz IWMSNSUTBJUWLC-UHFFFAOYSA-N 0 0 422.779 5.833 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000016977443 558811161 /nfs/dbraw/zinc/81/11/61/558811161.db2.gz DBYHVOFMSRDZEB-OAQYLSRUSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000016977448 558811047 /nfs/dbraw/zinc/81/10/47/558811047.db2.gz DBYHVOFMSRDZEB-NRFANRHFSA-N 0 0 421.855 5.570 50 30 HKEARN Cc1ccc([C@@H]2N=C(Nc3cccc(Cl)c3Cl)Nc3nc(C)cc(=O)n32)cc1 ZINC000016977748 558811196 /nfs/dbraw/zinc/81/11/96/558811196.db2.gz BBCIKQLTYDVGDX-GOSISDBHSA-N 0 0 414.296 5.123 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016994031 558811101 /nfs/dbraw/zinc/81/11/01/558811101.db2.gz AMDGLEAPRPASIE-OAQYLSRUSA-N 0 0 405.400 5.056 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016994035 558811177 /nfs/dbraw/zinc/81/11/77/558811177.db2.gz AMDGLEAPRPASIE-NRFANRHFSA-N 0 0 405.400 5.056 50 30 HKEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000016996033 526389535 /nfs/dbraw/zinc/38/95/35/526389535.db2.gz RSCAQRWQJRIYDB-ZVHZXABRSA-N 0 0 420.925 5.348 50 30 HKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000017014228 558811688 /nfs/dbraw/zinc/81/16/88/558811688.db2.gz IXPCPCNUBMTCOP-YZXVBUGESA-N 0 0 422.859 6.197 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1ccc(F)cc1 ZINC000017014642 558811638 /nfs/dbraw/zinc/81/16/38/558811638.db2.gz LNPJCXGMBYQGRY-HXUWFJFHSA-N 0 0 420.513 5.191 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc(Cl)c1 ZINC000017017179 558811858 /nfs/dbraw/zinc/81/18/58/558811858.db2.gz CDTJASVPGPORPJ-HXUWFJFHSA-N 0 0 420.900 5.237 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccc(Cl)c1 ZINC000017017182 558811841 /nfs/dbraw/zinc/81/18/41/558811841.db2.gz CDTJASVPGPORPJ-FQEVSTJZSA-N 0 0 420.900 5.237 50 30 HKEARN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCC2 ZINC000017023302 558812012 /nfs/dbraw/zinc/81/20/12/558812012.db2.gz BGZUNEWFFZHVSO-KEBDBYFISA-N 0 0 408.317 5.022 50 30 HKEARN O=C(Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cl)cc1)c1ccccc1 ZINC000017023468 558812041 /nfs/dbraw/zinc/81/20/41/558812041.db2.gz KOIURPNEHOAIAI-WYMPLXKRSA-N 0 0 404.680 6.617 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000017027909 558812231 /nfs/dbraw/zinc/81/22/31/558812231.db2.gz FUHXBCCVSLSSJB-HSZRJFAPSA-N 0 0 408.929 5.893 50 30 HKEARN Cc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N\c2cccc(Cl)c2)cc1 ZINC000017042390 569272418 /nfs/dbraw/zinc/27/24/18/569272418.db2.gz FEMIVWJOJWTMDM-QFEZKATASA-N 0 0 402.885 5.459 50 30 HKEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043582 558812791 /nfs/dbraw/zinc/81/27/91/558812791.db2.gz VEMPDYHQRSRTSS-LPNGOHTBSA-N 0 0 403.463 5.494 50 30 HKEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017043586 527033075 /nfs/dbraw/zinc/03/30/75/527033075.db2.gz VEMPDYHQRSRTSS-UXDFZSADSA-N 0 0 403.463 5.494 50 30 HKEARN COc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1OC ZINC000017043610 558812755 /nfs/dbraw/zinc/81/27/55/558812755.db2.gz WTQJHLJSNSQJPL-BQRJAFJYSA-N 0 0 418.518 5.603 50 30 HKEARN COc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1OC ZINC000017043615 558812782 /nfs/dbraw/zinc/81/27/82/558812782.db2.gz WTQJHLJSNSQJPL-RXFRQMQLSA-N 0 0 418.518 5.603 50 30 HKEARN CCOc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000017043626 558812830 /nfs/dbraw/zinc/81/28/30/558812830.db2.gz WKDPTGGOTBEBMR-BQRJAFJYSA-N 0 0 402.519 5.984 50 30 HKEARN CCOc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000017043630 521269979 /nfs/dbraw/zinc/26/99/79/521269979.db2.gz WKDPTGGOTBEBMR-RXFRQMQLSA-N 0 0 402.519 5.984 50 30 HKEARN C=CCOC(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)nc1C ZINC000017045788 571304453 /nfs/dbraw/zinc/30/44/53/571304453.db2.gz ONIRPGPAHFIWCZ-UHFFFAOYSA-N 0 0 406.916 5.223 50 30 HKEARN COc1ccc(/N=C/c2ccc(/C=N/c3ccc(OC)cc3OC)cc2)c(OC)c1 ZINC000017063325 523467915 /nfs/dbraw/zinc/46/79/15/523467915.db2.gz JWJYYPHJGMMNGX-RYQLWAFASA-N 0 0 404.466 5.222 50 30 HKEARN Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1C ZINC000017082146 558814184 /nfs/dbraw/zinc/81/41/84/558814184.db2.gz IFHMQQVQHQUZLT-SMSCYPBYSA-N 0 0 401.329 5.300 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2 ZINC000017082316 569016899 /nfs/dbraw/zinc/01/68/99/569016899.db2.gz JYBUVMGNDQDZTE-UHFFFAOYSA-N 0 0 401.988 6.017 50 30 HKEARN C=CCn1c(CCc2ccccc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000017082656 569016988 /nfs/dbraw/zinc/01/69/88/569016988.db2.gz XHLXMELNRNYDSJ-UHFFFAOYSA-N 0 0 403.473 5.560 50 30 HKEARN C=CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccncc1 ZINC000017083248 519245319 /nfs/dbraw/zinc/24/53/19/519245319.db2.gz UPZCODDLLMJUBS-UHFFFAOYSA-N 0 0 405.552 5.250 50 30 HKEARN C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1cccnc1 ZINC000017083249 569016969 /nfs/dbraw/zinc/01/69/69/569016969.db2.gz HRHBOAHQYUBJMP-UHFFFAOYSA-N 0 0 405.552 5.250 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C ZINC000017084973 558815895 /nfs/dbraw/zinc/81/58/95/558815895.db2.gz RHHWQSDYYXHJIK-TYGLDRHGSA-N 0 0 421.566 5.067 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C ZINC000017084974 558815887 /nfs/dbraw/zinc/81/58/87/558815887.db2.gz RHHWQSDYYXHJIK-MONKAWABSA-N 0 0 421.566 5.067 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1c(C)cccc1C ZINC000017085020 558816056 /nfs/dbraw/zinc/81/60/56/558816056.db2.gz BQDZDJADGLUHJT-ZLWNKQBNSA-N 0 0 421.566 5.067 50 30 HKEARN COc1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000017086097 558816061 /nfs/dbraw/zinc/81/60/61/558816061.db2.gz TVFSUDNKVPQOFN-RGVLZGJSSA-N 0 0 402.317 5.336 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 ZINC000017086110 571304437 /nfs/dbraw/zinc/30/44/37/571304437.db2.gz AMFXWKMAYVRTBX-UFFVCSGVSA-N 0 0 407.282 5.861 50 30 HKEARN CCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000017086111 558816053 /nfs/dbraw/zinc/81/60/53/558816053.db2.gz IQKKIRYCAFJFGB-FSJBWODESA-N 0 0 420.365 6.742 50 30 HKEARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F ZINC000017087499 558816487 /nfs/dbraw/zinc/81/64/87/558816487.db2.gz FIDCRYAYZKWSGL-UHFFFAOYSA-N 0 0 406.710 5.235 50 30 HKEARN COc1ccc2c(c1)CCC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C2=O ZINC000017088168 558817028 /nfs/dbraw/zinc/81/70/28/558817028.db2.gz SAIXRIDUNMHUQC-XNTDXEJSSA-N 0 0 409.283 5.060 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017088300 519240707 /nfs/dbraw/zinc/24/07/07/519240707.db2.gz XQUCIEUDODLCCL-UHFFFAOYSA-N 0 0 409.530 5.884 50 30 HKEARN C=CCn1c(Cc2cccs2)nnc1SCc1csc(-c2ccccc2)n1 ZINC000017088648 569016987 /nfs/dbraw/zinc/01/69/87/569016987.db2.gz MTDYISVHZDZIHQ-UHFFFAOYSA-N 0 0 410.593 5.532 50 30 HKEARN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSCc1ccco1 ZINC000017088968 558817593 /nfs/dbraw/zinc/81/75/93/558817593.db2.gz SNGGVFPGCOKBFY-LPYMAVHISA-N 0 0 411.552 5.042 50 30 HKEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017089023 569016992 /nfs/dbraw/zinc/01/69/92/569016992.db2.gz JSOWOBWFBHQHOP-HNNXBMFYSA-N 0 0 411.596 5.618 50 30 HKEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017089024 519244445 /nfs/dbraw/zinc/24/44/45/519244445.db2.gz JSOWOBWFBHQHOP-OAHLLOKOSA-N 0 0 411.596 5.618 50 30 HKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017090465 569016999 /nfs/dbraw/zinc/01/69/99/569016999.db2.gz UGYZQWBLBRLNDS-CQSZACIVSA-N 0 0 416.015 6.263 50 30 HKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017090466 569016951 /nfs/dbraw/zinc/01/69/51/569016951.db2.gz UGYZQWBLBRLNDS-AWEZNQCLSA-N 0 0 416.015 6.263 50 30 HKEARN CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C ZINC000017091640 569357233 /nfs/dbraw/zinc/35/72/33/569357233.db2.gz MLKUQGRBKYSZFA-MOPNHQNYSA-N 0 0 418.585 5.557 50 30 HKEARN O=C1C[C@@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092002 558820561 /nfs/dbraw/zinc/82/05/61/558820561.db2.gz ULOJNHIYRSGZQK-WFASDCNBSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092003 558820512 /nfs/dbraw/zinc/82/05/12/558820512.db2.gz ULOJNHIYRSGZQK-SWLSCSKDSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@@H](c2ccccc2C(F)(F)F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092004 527024742 /nfs/dbraw/zinc/02/47/42/527024742.db2.gz ULOJNHIYRSGZQK-DOMZBBRYSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@H](c2ccccc2C(F)(F)F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092005 558820529 /nfs/dbraw/zinc/82/05/29/558820529.db2.gz ULOJNHIYRSGZQK-IUODEOHRSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092006 558820506 /nfs/dbraw/zinc/82/05/06/558820506.db2.gz RUVCFXSTCGDNRO-BBRMVZONSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092007 558820544 /nfs/dbraw/zinc/82/05/44/558820544.db2.gz RUVCFXSTCGDNRO-XJKSGUPXSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092008 558820499 /nfs/dbraw/zinc/82/04/99/558820499.db2.gz RUVCFXSTCGDNRO-CJNGLKHVSA-N 0 0 419.830 5.363 50 30 HKEARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000017092009 558820527 /nfs/dbraw/zinc/82/05/27/558820527.db2.gz RUVCFXSTCGDNRO-CZUORRHYSA-N 0 0 419.830 5.363 50 30 HKEARN C=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000017092041 558820552 /nfs/dbraw/zinc/82/05/52/558820552.db2.gz ZZKWDWSPKICZSY-AFUMVMLFSA-N 0 0 419.937 6.545 50 30 HKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017092060 519237047 /nfs/dbraw/zinc/23/70/47/519237047.db2.gz XNGURWIUWOYISO-UHFFFAOYSA-N 0 0 419.978 6.156 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000017092118 569016932 /nfs/dbraw/zinc/01/69/32/569016932.db2.gz IWGLPUOXYUHIEZ-CQSZACIVSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000017092119 569016948 /nfs/dbraw/zinc/01/69/48/569016948.db2.gz IWGLPUOXYUHIEZ-AWEZNQCLSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000017092120 569016965 /nfs/dbraw/zinc/01/69/65/569016965.db2.gz WCTPUOWWMZWIAO-CQSZACIVSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000017092121 519240440 /nfs/dbraw/zinc/24/04/40/519240440.db2.gz WCTPUOWWMZWIAO-AWEZNQCLSA-N 0 0 420.365 6.203 50 30 HKEARN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000017092122 519192455 /nfs/dbraw/zinc/19/24/55/519192455.db2.gz OBUVFGPCGVHMMP-UHFFFAOYSA-N 0 0 420.365 5.663 50 30 HKEARN C/C(=N\OC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F)c1ccccc1 ZINC000017092141 558820656 /nfs/dbraw/zinc/82/06/56/558820656.db2.gz DXJUTGBRBMBRFC-RWPZCVJISA-N 0 0 420.419 5.223 50 30 HKEARN Cc1ccc(-c2n[nH]cc2C=Nc2sccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000017092518 558820913 /nfs/dbraw/zinc/82/09/13/558820913.db2.gz ZKZSTJCPFRFXBE-WYMPLXKRSA-N 0 0 420.925 6.103 50 30 HKEARN C=CCn1c(COc2ccccc2Cl)nnc1SCc1cccc2ccccc21 ZINC000017092857 519188472 /nfs/dbraw/zinc/18/84/72/519188472.db2.gz MMIYJVYTUDPLFY-UHFFFAOYSA-N 0 0 421.953 6.142 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017092951 569273630 /nfs/dbraw/zinc/27/36/30/569273630.db2.gz XROOSQYDWXEWAK-LLVKDONJSA-N 0 0 422.381 6.722 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017092952 569274264 /nfs/dbraw/zinc/27/42/64/569274264.db2.gz XROOSQYDWXEWAK-NSHDSACASA-N 0 0 422.381 6.722 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2cccs2)C1 ZINC000017093259 520267904 /nfs/dbraw/zinc/26/79/04/520267904.db2.gz BREWKTFVMHVXND-LJQANCHMSA-N 0 0 422.579 5.290 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000017093406 558821793 /nfs/dbraw/zinc/82/17/93/558821793.db2.gz YGULKYYUUCBTBK-FQEVSTJZSA-N 0 0 422.941 5.246 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccccc3Cl)C12 ZINC000017093407 526968700 /nfs/dbraw/zinc/96/87/00/526968700.db2.gz MSLJCECHNDOIEW-HXUWFJFHSA-N 0 0 422.941 5.246 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccccc3Cl)C12 ZINC000017093408 569274743 /nfs/dbraw/zinc/27/47/43/569274743.db2.gz MSLJCECHNDOIEW-FQEVSTJZSA-N 0 0 422.941 5.246 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3cccc(Cl)c3)C12 ZINC000017093409 526968033 /nfs/dbraw/zinc/96/80/33/526968033.db2.gz IKTJNGNPFVJASQ-HXUWFJFHSA-N 0 0 422.941 5.246 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3cccc(Cl)c3)C12 ZINC000017093410 526969835 /nfs/dbraw/zinc/96/98/35/526969835.db2.gz IKTJNGNPFVJASQ-FQEVSTJZSA-N 0 0 422.941 5.246 50 30 HKEARN Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 ZINC000017093420 558821980 /nfs/dbraw/zinc/82/19/80/558821980.db2.gz UNTAVFARBIDCDS-NXYZXBHKSA-N 0 0 422.981 6.838 50 30 HKEARN Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000017093421 558821995 /nfs/dbraw/zinc/82/19/95/558821995.db2.gz UNTAVFARBIDCDS-IXORVSQSSA-N 0 0 422.981 6.838 50 30 HKEARN CCCNC(=O)c1ccsc1/N=C/c1cc(Br)ccc1OCC(C)C ZINC000017093504 519905845 /nfs/dbraw/zinc/90/58/45/519905845.db2.gz KCSOFBKKUXNRPU-SSDVNMTOSA-N 0 0 423.376 5.436 50 30 HKEARN CCCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCC)C2=O)cc1OC ZINC000017094071 558822517 /nfs/dbraw/zinc/82/25/17/558822517.db2.gz KASCGXRAVPMECK-FTNPDODUSA-N 0 0 424.566 5.888 50 30 HKEARN Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1-c1ccccc1 ZINC000017094170 526879514 /nfs/dbraw/zinc/87/95/14/526879514.db2.gz SRBGPWBYVYXXPY-UHFFFAOYSA-N 0 0 424.953 6.355 50 30 HKEARN O=c1[nH]c(NN=Cc2ccc(Cl)cc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017113106 527440546 /nfs/dbraw/zinc/44/05/46/527440546.db2.gz LKRVGDXSTFOITF-CVKSISIWSA-N 0 0 418.928 5.294 50 30 HKEARN Cc1cccc(Nc2cc(NC3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000017123391 558823291 /nfs/dbraw/zinc/82/32/91/558823291.db2.gz ULPDMLYYMFBWEG-XHLNEMQHSA-N 0 0 423.516 6.393 50 30 HKEARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3NCc1ccccc1 ZINC000017123404 526332459 /nfs/dbraw/zinc/33/24/59/526332459.db2.gz KIXZKHLVUQQMTQ-XHLNEMQHSA-N 0 0 417.468 5.952 50 30 HKEARN CCOc1ccc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)cc1OC ZINC000017137618 558823566 /nfs/dbraw/zinc/82/35/66/558823566.db2.gz NSVXMZCZRULHQD-YVLHZVERSA-N 0 0 422.428 5.845 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000017137991 558823603 /nfs/dbraw/zinc/82/36/03/558823603.db2.gz BYUCLLPBENDKEN-OAQYLSRUSA-N 0 0 405.400 5.056 50 30 HKEARN O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000017145731 558823904 /nfs/dbraw/zinc/82/39/04/558823904.db2.gz RDUZMAKMZTYQLF-NJMAKWBESA-N 0 0 412.942 5.982 50 30 HKEARN CCCCCOc1c(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cccc1OC ZINC000017145893 558823925 /nfs/dbraw/zinc/82/39/25/558823925.db2.gz ASFXLIFRUHRUIP-TXDBTXQPSA-N 0 0 424.566 5.888 50 30 HKEARN CC(=O)Oc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000017146042 558824043 /nfs/dbraw/zinc/82/40/43/558824043.db2.gz NGQNVNYQDYPVIQ-WMOWQXFYSA-N 0 0 414.486 5.421 50 30 HKEARN COc1cc(/C=C/C=C2\CCC/C(=C\C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000017146175 521941619 /nfs/dbraw/zinc/94/16/19/521941619.db2.gz QTCFGIPIXZIJHC-NSKZZCLVSA-N 0 0 418.489 5.447 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)cc2)c1CCC(C)C ZINC000017146579 569275457 /nfs/dbraw/zinc/27/54/57/569275457.db2.gz BDMIIWRCSLWDFJ-UHFFFAOYSA-N 0 0 402.929 6.653 50 30 HKEARN CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000017147221 520851388 /nfs/dbraw/zinc/85/13/88/520851388.db2.gz BEWDJFZSLSXJPS-YBEGLDIGSA-N 0 0 423.321 5.292 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000017147483 558824106 /nfs/dbraw/zinc/82/41/06/558824106.db2.gz HKEPEDSZMBDHAW-OAQYLSRUSA-N 0 0 405.400 5.056 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 ZINC000017147485 558824218 /nfs/dbraw/zinc/82/42/18/558824218.db2.gz HKEPEDSZMBDHAW-NRFANRHFSA-N 0 0 405.400 5.056 50 30 HKEARN Cc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000017150175 526089774 /nfs/dbraw/zinc/08/97/74/526089774.db2.gz LJBGJYXYOSLTAF-DEDYPNTBSA-N 0 0 407.926 5.639 50 30 HKEARN CCCCc1ccc(-n2c(C)cc(C=NNC(=S)Nc3ccccc3)c2C)cc1 ZINC000017150212 569275875 /nfs/dbraw/zinc/27/58/75/569275875.db2.gz LUSNKOIYHHWIIP-UHFFFAOYSA-N 0 0 404.583 5.757 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1 ZINC000017159789 569275938 /nfs/dbraw/zinc/27/59/38/569275938.db2.gz RROVVWDTMRSTRF-HXUWFJFHSA-N 0 0 407.853 5.020 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1 ZINC000017159793 569275941 /nfs/dbraw/zinc/27/59/41/569275941.db2.gz RROVVWDTMRSTRF-FQEVSTJZSA-N 0 0 407.853 5.020 50 30 HKEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 ZINC000017167008 558824492 /nfs/dbraw/zinc/82/44/92/558824492.db2.gz GTOBRURPJQYGBE-UYRXBGFRSA-N 0 0 409.898 5.031 50 30 HKEARN C=CCc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OCC)c1O ZINC000017167011 519126252 /nfs/dbraw/zinc/12/62/52/519126252.db2.gz YAGJYRXSZGXUEL-MOSHPQCFSA-N 0 0 408.523 5.028 50 30 HKEARN O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017167020 558824489 /nfs/dbraw/zinc/82/44/89/558824489.db2.gz POWIPSMHDSPLOB-SIDNSYPESA-N 0 0 421.525 6.286 50 30 HKEARN Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)NC1CCCCC1)CCCC3)OCO2 ZINC000017167039 525592763 /nfs/dbraw/zinc/59/27/63/525592763.db2.gz YFDUYZFYLBOJKR-DHRITJCHSA-N 0 0 424.566 5.477 50 30 HKEARN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1CC ZINC000017167341 558824630 /nfs/dbraw/zinc/82/46/30/558824630.db2.gz KIRGSLBBEMBQPU-ZGNGNRKCSA-N 0 0 405.926 5.199 50 30 HKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000017167370 558824697 /nfs/dbraw/zinc/82/46/97/558824697.db2.gz CNZSXSSKVWGQRQ-MZURAFEFSA-N 0 0 411.546 5.718 50 30 HKEARN CCc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000017167653 558824670 /nfs/dbraw/zinc/82/46/70/558824670.db2.gz LAKZQTVFEBEDLI-HFKUHOGPSA-N 0 0 416.590 6.742 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000017173023 558824868 /nfs/dbraw/zinc/82/48/68/558824868.db2.gz LOHHERLGJHQIKL-CYBMUJFWSA-N 0 0 422.337 5.352 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1Cl ZINC000017173024 558824786 /nfs/dbraw/zinc/82/47/86/558824786.db2.gz LOHHERLGJHQIKL-ZDUSSCGKSA-N 0 0 422.337 5.352 50 30 HKEARN COc1ccc(C=CC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000017173107 523400680 /nfs/dbraw/zinc/40/06/80/523400680.db2.gz MIEXRHUVPYRIOG-SAPNQHFASA-N 0 0 408.457 5.421 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000017180409 558825107 /nfs/dbraw/zinc/82/51/07/558825107.db2.gz ZDDUSZNQPUTZQP-FQEVSTJZSA-N 0 0 418.518 5.358 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000017180411 558825120 /nfs/dbraw/zinc/82/51/20/558825120.db2.gz ZDDUSZNQPUTZQP-HXUWFJFHSA-N 0 0 418.518 5.358 50 30 HKEARN Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000017180844 525877945 /nfs/dbraw/zinc/87/79/45/525877945.db2.gz YNMWFFRYXCZXLS-WYMPLXKRSA-N 0 0 404.857 5.116 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)C(C)(C)N1c1ccc(Br)cc1 ZINC000017186161 558825259 /nfs/dbraw/zinc/82/52/59/558825259.db2.gz FNKAFBOUCSPCSC-PYCFMQQDSA-N 0 0 416.388 6.114 50 30 HKEARN S=c1ss/c(=N\C(=N\c2ccccc2)c2ccccc2)n1Cc1ccccc1 ZINC000017189702 526388361 /nfs/dbraw/zinc/38/83/61/526388361.db2.gz CYLUPPPDFOCPQE-PQBHCXAESA-N 0 0 419.600 6.068 50 30 HKEARN COc1ccc(C=C2SC(=Nc3ccccc3Br)NC2=O)c(OC)c1 ZINC000017194574 558825402 /nfs/dbraw/zinc/82/54/02/558825402.db2.gz ULLQISLMBYFERX-SXGWCWSVSA-N 0 0 419.300 5.198 50 30 HKEARN CCOc1cc(C=C2SC(=Nc3ccccc3Br)NC2=O)ccc1O ZINC000017196632 569276441 /nfs/dbraw/zinc/27/64/41/569276441.db2.gz OXUHOWKHECDFBS-YBEGLDIGSA-N 0 0 419.300 5.285 50 30 HKEARN COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000017207047 558825677 /nfs/dbraw/zinc/82/56/77/558825677.db2.gz WLROKLJGDRJDQD-WNAAXNPUSA-N 0 0 401.462 5.693 50 30 HKEARN FC(F)(F)c1cccc(NC2=NC(=S)N(c3ccccc3)C23CCCCC3)c1 ZINC000017207124 558825675 /nfs/dbraw/zinc/82/56/75/558825675.db2.gz HYHVNUVSKKXJTL-UHFFFAOYSA-N 0 0 403.473 5.833 50 30 HKEARN Cc1ccc(Cl)cc1NC1=NC(=S)N([C@@H](C)c2ccccc2)C12CCCCC2 ZINC000017207136 524720991 /nfs/dbraw/zinc/72/09/91/524720991.db2.gz NERPTVUKYNNOIH-KRWDZBQOSA-N 0 0 412.002 6.333 50 30 HKEARN CCOC(=O)c1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCCC3)cc1 ZINC000017207162 558825649 /nfs/dbraw/zinc/82/56/49/558825649.db2.gz DLEIWRGUZUTHFF-UHFFFAOYSA-N 0 0 421.566 5.299 50 30 HKEARN COc1ccc(N2C(SC)=N/C(=N\c3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000017241865 524400518 /nfs/dbraw/zinc/40/05/18/524400518.db2.gz LSMAKKGBKKZTLO-GFMRDNFCSA-N 0 0 413.974 6.321 50 30 HKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C(C)C)cc1 ZINC000017242270 521533517 /nfs/dbraw/zinc/53/35/17/521533517.db2.gz QJSCDOPGEURGPG-VHAJSEAWSA-N 0 0 423.582 5.407 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccccc1C ZINC000017242438 558826090 /nfs/dbraw/zinc/82/60/90/558826090.db2.gz VTBJKWOZSUMYPL-TYGLDRHGSA-N 0 0 421.566 5.265 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccccc1C ZINC000017242443 558826258 /nfs/dbraw/zinc/82/62/58/558826258.db2.gz VTBJKWOZSUMYPL-MONKAWABSA-N 0 0 421.566 5.265 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/N=C2\CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000017299526 527343753 /nfs/dbraw/zinc/34/37/53/527343753.db2.gz CRBUWAZQXGYSMH-YDGLNERASA-N 0 0 414.509 6.283 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3ccccc3Cl)=NC2=O)c2ccccc21 ZINC000017299707 569017172 /nfs/dbraw/zinc/01/71/72/569017172.db2.gz HYDSATDRKKHCTR-MOSHPQCFSA-N 0 0 407.926 5.872 50 30 HKEARN Cc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000017299713 558826579 /nfs/dbraw/zinc/82/65/79/558826579.db2.gz UVIGLEGOWPDRQO-DHDCSXOGSA-N 0 0 407.720 5.303 50 30 HKEARN C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000017299818 518264862 /nfs/dbraw/zinc/26/48/62/518264862.db2.gz MIYATPGBJMJIGW-WOJGMQOQSA-N 0 0 418.301 5.242 50 30 HKEARN O=C1S[C@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000017354954 560709740 /nfs/dbraw/zinc/70/97/40/560709740.db2.gz PMOVMNJUYQYIMP-FQEVSTJZSA-N 0 0 419.531 5.746 50 30 aggregator HKEARN O=C1S[C@@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000017354956 560709698 /nfs/dbraw/zinc/70/96/98/560709698.db2.gz PMOVMNJUYQYIMP-HXUWFJFHSA-N 0 0 419.531 5.746 50 30 aggregator HKEARN C=CCN(C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 ZINC000017365232 560712871 /nfs/dbraw/zinc/71/28/71/560712871.db2.gz CJGAKZRXAGEDGR-UHFFFAOYSA-N 0 0 403.532 5.766 50 30 HKEARN COc1ccccc1/C=N/N/C(=N/c1ccc(C)cc1)c1nc2ccccc2s1 ZINC000017440735 524324687 /nfs/dbraw/zinc/32/46/87/524324687.db2.gz IYCYHUMQUQXGLH-BUVRLJJBSA-N 0 0 400.507 5.315 50 30 HKEARN Cc1cc(C(=O)CSc2nc(C)cc(C)c2C#N)c(C)n1CCc1ccccc1 ZINC000017485205 558827574 /nfs/dbraw/zinc/82/75/74/558827574.db2.gz UBQAOWYMFYCIIJ-UHFFFAOYSA-N 0 0 403.551 5.206 50 30 aggregator HKEARN Clc1ccccc1/C=N/C(/N=C/c1ccccc1Cl)c1ccccc1Cl ZINC000017820285 560728804 /nfs/dbraw/zinc/72/88/04/560728804.db2.gz OMGKAWIKWIBLGX-BKHCZYBLSA-N 0 0 401.724 6.884 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000017837718 518843166 /nfs/dbraw/zinc/84/31/66/518843166.db2.gz NBNBRZYWRRWMFA-MONKAWABSA-N 0 0 421.566 5.265 50 30 HKEARN O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1Cc1cccnc1 ZINC000017857719 569005864 /nfs/dbraw/zinc/00/58/64/569005864.db2.gz VYFYMKPSWAKDJB-MVPYSVJISA-N 0 0 410.502 5.367 50 30 HKEARN C=CCc1cccc2cc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c(=O)oc21 ZINC000017861290 569017474 /nfs/dbraw/zinc/01/74/74/569017474.db2.gz QSTJMBJZVQTUBD-UHFFFAOYSA-N 0 0 402.475 5.206 50 30 HKEARN COc1c(Cl)cccc1/N=C/c1ccc(/C=N/c2cccc(Cl)c2OC)cc1 ZINC000017885490 569012752 /nfs/dbraw/zinc/01/27/52/569012752.db2.gz MCJVDSHAUWRUKO-BKHCZYBLSA-N 0 0 413.304 6.512 50 30 HKEARN O=C(N[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017886258 558828481 /nfs/dbraw/zinc/82/84/81/558828481.db2.gz RYDILFMFMIUVNX-GEMZPYNLSA-N 0 0 404.513 6.018 50 30 HKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000017886509 558828447 /nfs/dbraw/zinc/82/84/47/558828447.db2.gz XSEJBLLVAZWZII-WYMPLXKRSA-N 0 0 405.479 6.034 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000017919670 558828800 /nfs/dbraw/zinc/82/88/00/558828800.db2.gz NBNBRZYWRRWMFA-TYGLDRHGSA-N 0 0 421.566 5.265 50 30 HKEARN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1C ZINC000017950488 558828894 /nfs/dbraw/zinc/82/88/94/558828894.db2.gz QUVLOSYKTLSXNZ-MYYYXRDXSA-N 0 0 410.583 5.757 50 30 HKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000017995575 560733676 /nfs/dbraw/zinc/73/36/76/560733676.db2.gz LCYKYGDHMKJNHS-OAQYLSRUSA-N 0 0 419.864 5.132 50 30 HKEARN O=C1CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1Cc1ccccc1Cl ZINC000017995583 558829519 /nfs/dbraw/zinc/82/95/19/558829519.db2.gz AZZZJQDCWDAANP-PGMHBOJBSA-N 0 0 420.148 6.063 50 30 HKEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1Cl)C1C(=O)c3ccccc3C1=N2 ZINC000018008502 560744966 /nfs/dbraw/zinc/74/49/66/560744966.db2.gz ZUWTUMOFLHZZRE-OAQYLSRUSA-N 0 0 424.891 5.394 50 30 HKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000018024534 558829571 /nfs/dbraw/zinc/82/95/71/558829571.db2.gz JUSHILFXVMWDJD-OFVILXPXSA-N 0 0 415.533 5.247 50 30 HKEARN CN(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000018028774 522157225 /nfs/dbraw/zinc/15/72/25/522157225.db2.gz YYLGRLGIIAVYAP-UHFFFAOYSA-N 0 0 411.542 5.239 50 30 HKEARN O=S(=O)(N=C(Nc1ccc(Cl)cc1Cl)c1ccccc1)c1cccs1 ZINC000018032755 527157106 /nfs/dbraw/zinc/15/71/06/527157106.db2.gz XYNRNOPRQKUNOB-UHFFFAOYSA-N 0 0 411.335 5.303 50 30 HKEARN Clc1ccc(/N=C/c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000018033376 526940877 /nfs/dbraw/zinc/94/08/77/526940877.db2.gz LDOOKAXZJXPUPG-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN Cc1ccc(/N=C(C(=N\c2ccc(C)cc2)\N2CCCCC2)/N2CCCCC2)cc1 ZINC000018038485 558829939 /nfs/dbraw/zinc/82/99/39/558829939.db2.gz PBXSADRRKDYAQH-ZQZMJUSDSA-N 0 0 402.586 6.035 50 30 HKEARN Clc1cccc(/N=C/c2ccc(/C=N/c3cccc(Cl)c3Cl)cc2)c1Cl ZINC000018044113 569012770 /nfs/dbraw/zinc/01/27/70/569012770.db2.gz HGWSNIDOKAIQDB-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1Cl ZINC000018045119 560774369 /nfs/dbraw/zinc/77/43/69/560774369.db2.gz OYNWYKQNILTAEM-IBGZPJMESA-N 0 0 424.327 5.931 50 30 HKEARN FC(F)(F)c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(F)(F)F)cc1 ZINC000018046186 569012744 /nfs/dbraw/zinc/01/27/44/569012744.db2.gz LJRHTTJCHIKKEW-HZUVFDMRSA-N 0 0 420.356 7.225 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000018054351 525788376 /nfs/dbraw/zinc/78/83/76/525788376.db2.gz YFXRCFUGEPZMIY-HSZRJFAPSA-N 0 0 404.510 5.139 50 30 HKEARN CC(=[NH+]Cc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000018056076 518449270 /nfs/dbraw/zinc/44/92/70/518449270.db2.gz DJGLYYLLHZQXQV-ONUIUJJFSA-N 0 0 424.529 5.452 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000018056654 560774197 /nfs/dbraw/zinc/77/41/97/560774197.db2.gz SFZWMJQKPQCPSX-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000018057579 560774175 /nfs/dbraw/zinc/77/41/75/560774175.db2.gz JSGBFOOGKMUZGF-QFIPXVFZSA-N 0 0 406.913 5.255 50 30 HKEARN c1ccc2c(c1)ccc(OC[C@H]1CO1)c2Cc1c(OC[C@@H]2CO2)ccc2ccccc21 ZINC000018060148 558830192 /nfs/dbraw/zinc/83/01/92/558830192.db2.gz PVHPHJYSXKSCKD-OYRHEFFESA-N 0 0 412.485 5.139 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2)cc1 ZINC000018066034 560774524 /nfs/dbraw/zinc/77/45/24/560774524.db2.gz WHZZBVLJDAWOPK-UHFFFAOYSA-N 0 0 407.502 5.580 50 30 HKEARN O=C(NCc1ccccc1)c1c(/N=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000018068349 560774559 /nfs/dbraw/zinc/77/45/59/560774559.db2.gz QCJZIGMFCBTQLH-MYYYXRDXSA-N 0 0 419.506 5.216 50 30 HKEARN O=C(NC1CCCCC1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000018068509 560871087 /nfs/dbraw/zinc/87/10/87/560871087.db2.gz XZHMQBVGWBTQQE-ZMOGYAJESA-N 0 0 410.539 5.169 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/[C@@H]1CCCC[C@@H]1/N=C/c1c(O)ccc2ccccc21 ZINC000018068845 560871079 /nfs/dbraw/zinc/87/10/79/560871079.db2.gz KNSIKFZDHZYWCT-RSYBWFEJSA-N 0 0 422.528 6.253 50 30 HKEARN CCCCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000018084499 521287532 /nfs/dbraw/zinc/28/75/32/521287532.db2.gz MHCYRRKTMDEKHO-UKILVPOCSA-N 0 0 411.545 6.071 50 30 HKEARN C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccccc2)cs1 ZINC000018085061 560774949 /nfs/dbraw/zinc/77/49/49/560774949.db2.gz TURBTLWJQLXZIG-UHFFFAOYSA-N 0 0 409.561 5.828 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000018086537 560775108 /nfs/dbraw/zinc/77/51/08/560775108.db2.gz BEGJEBNQQIAQSS-CYFREDJKSA-N 0 0 403.481 6.222 50 30 HKEARN COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1O ZINC000018086574 558830883 /nfs/dbraw/zinc/83/08/83/558830883.db2.gz NIFFMRZCLAQLSQ-OYKKKHCWSA-N 0 0 412.555 5.154 50 30 HKEARN CCc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000018093482 560775204 /nfs/dbraw/zinc/77/52/04/560775204.db2.gz LAKZQTVFEBEDLI-FKMPAVMLSA-N 0 0 416.590 6.742 50 30 HKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S1 ZINC000018093984 560775423 /nfs/dbraw/zinc/77/54/23/560775423.db2.gz GCQFGRKZMLWMFW-UNOMPAQXSA-N 0 0 409.898 5.036 50 30 HKEARN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S1 ZINC000018094224 524720533 /nfs/dbraw/zinc/72/05/33/524720533.db2.gz ANALGJDPODAEQV-UNOMPAQXSA-N 0 0 409.898 5.036 50 30 HKEARN COc1ccc(/C=N\c2ccc(-c3ccc(/N=C\c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000018098943 558831082 /nfs/dbraw/zinc/83/10/82/558831082.db2.gz UTROQYQKNNCTMF-NAZWXXJZSA-N 0 0 420.512 6.872 50 30 HKEARN Cc1cccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 ZINC000018099665 560775628 /nfs/dbraw/zinc/77/56/28/560775628.db2.gz ZSHCLQJTSSSARQ-UHFFFAOYSA-N 0 0 421.529 5.888 50 30 aggregator HKEARN CCN1C(=O)C(=CNc2ccc(C)cc2)S/C1=N\c1ccc(C2CCCCC2)cc1 ZINC000018100384 560775503 /nfs/dbraw/zinc/77/55/03/560775503.db2.gz BODYZQRPDCOIIS-ACWMPWAISA-N 0 0 419.594 6.579 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 ZINC000018105825 558831243 /nfs/dbraw/zinc/83/12/43/558831243.db2.gz CYVRRLJXBWTENM-HFJWLAOPSA-N 0 0 406.485 5.523 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 ZINC000018105828 558831235 /nfs/dbraw/zinc/83/12/35/558831235.db2.gz CYVRRLJXBWTENM-WXTAPIANSA-N 0 0 406.485 5.523 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 ZINC000018105830 558831253 /nfs/dbraw/zinc/83/12/53/558831253.db2.gz CYVRRLJXBWTENM-QYBDOPJKSA-N 0 0 406.485 5.523 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 ZINC000018105834 558831277 /nfs/dbraw/zinc/83/12/77/558831277.db2.gz CYVRRLJXBWTENM-DWXRJYCRSA-N 0 0 406.485 5.523 50 30 HKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccccc2)Nc2ccc(Cl)cc2Cl)n1 ZINC000018105858 558831276 /nfs/dbraw/zinc/83/12/76/558831276.db2.gz SFDAUQYKJDYOKL-UHFFFAOYSA-N 0 0 414.296 5.121 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 ZINC000018106532 525230466 /nfs/dbraw/zinc/23/04/66/525230466.db2.gz GQSDBLPSFJHHDO-HFJWLAOPSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1 ZINC000018106535 558831263 /nfs/dbraw/zinc/83/12/63/558831263.db2.gz GQSDBLPSFJHHDO-WXTAPIANSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 ZINC000018106537 525232459 /nfs/dbraw/zinc/23/24/59/525232459.db2.gz GQSDBLPSFJHHDO-QYBDOPJKSA-N 0 0 414.480 5.814 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1 ZINC000018106540 558831223 /nfs/dbraw/zinc/83/12/23/558831223.db2.gz GQSDBLPSFJHHDO-DWXRJYCRSA-N 0 0 414.480 5.814 50 30 HKEARN Clc1cccc(/C=N\c2cccc3c(/N=C\c4cccc(Cl)c4)cccc23)c1 ZINC000018106921 526974776 /nfs/dbraw/zinc/97/47/76/526974776.db2.gz WAIOBBWNKLXGRZ-USYBVIFISA-N 0 0 403.312 7.648 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000018107278 558831255 /nfs/dbraw/zinc/83/12/55/558831255.db2.gz ABWHUOXUEIYYQX-QHCPKHFHSA-N 0 0 406.501 5.625 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000018107281 558831249 /nfs/dbraw/zinc/83/12/49/558831249.db2.gz ABWHUOXUEIYYQX-HSZRJFAPSA-N 0 0 406.501 5.625 50 30 HKEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3cc(Br)ccc3O)C12 ZINC000018113360 560776162 /nfs/dbraw/zinc/77/61/62/560776162.db2.gz QDSNONQSXZUXAS-GOSISDBHSA-N 0 0 422.278 5.031 50 30 HKEARN Clc1ccc(/C=N/c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000018115513 558831309 /nfs/dbraw/zinc/83/13/09/558831309.db2.gz JBHMQYZEBPHEEO-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H]1c3ccccc3C(=O)N21 ZINC000018115562 558831337 /nfs/dbraw/zinc/83/13/37/558831337.db2.gz HOOKLAXOOQWMKB-RUZDIDTESA-N 0 0 420.468 5.052 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H]1c3ccccc3C(=O)N21 ZINC000018115564 558831365 /nfs/dbraw/zinc/83/13/65/558831365.db2.gz HOOKLAXOOQWMKB-VWLOTQADSA-N 0 0 420.468 5.052 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccccc1 ZINC000018116653 558831473 /nfs/dbraw/zinc/83/14/73/558831473.db2.gz DCJYMHYTRCAPJR-HHHXNRCGSA-N 0 0 408.545 6.503 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1 ZINC000018116656 520266624 /nfs/dbraw/zinc/26/66/24/520266624.db2.gz DCJYMHYTRCAPJR-MHZLTWQESA-N 0 0 408.545 6.503 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000018117679 560776593 /nfs/dbraw/zinc/77/65/93/560776593.db2.gz BEGJEBNQQIAQSS-DVECYGJZSA-N 0 0 403.481 6.222 50 30 HKEARN Clc1ccc(/N=C/c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000018119661 558831670 /nfs/dbraw/zinc/83/16/70/558831670.db2.gz UHVFNMCTNHHFSD-KOZSXFMUSA-N 0 0 422.142 7.801 50 30 HKEARN O=C(CC(C(=O)c1ccccc1)=C1c2ccccc2-c2ncccc21)c1ccccc1 ZINC000018120814 560777685 /nfs/dbraw/zinc/77/76/85/560777685.db2.gz DXTFXQKEQHMRMB-LCUIJRPUSA-N 0 0 401.465 6.020 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000018121918 560778260 /nfs/dbraw/zinc/77/82/60/560778260.db2.gz JBHBVPKOVZUIHF-ZBLYBZFDSA-N 0 0 408.501 5.607 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000018121920 560778287 /nfs/dbraw/zinc/77/82/87/560778287.db2.gz JBHBVPKOVZUIHF-JIPXPUAJSA-N 0 0 408.501 5.607 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000018121921 560778229 /nfs/dbraw/zinc/77/82/29/560778229.db2.gz JBHBVPKOVZUIHF-IDISGSTGSA-N 0 0 408.501 5.607 50 30 HKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000018121923 560778220 /nfs/dbraw/zinc/77/82/20/560778220.db2.gz JBHBVPKOVZUIHF-KDYSTLNUSA-N 0 0 408.501 5.607 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000018123276 527024773 /nfs/dbraw/zinc/02/47/73/527024773.db2.gz WJNDTOLPZPJDFO-BVZFJXPGSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000018123278 558831618 /nfs/dbraw/zinc/83/16/18/558831618.db2.gz WJNDTOLPZPJDFO-AVRWGWEMSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000018123279 558831669 /nfs/dbraw/zinc/83/16/69/558831669.db2.gz WJNDTOLPZPJDFO-CJAUYULYSA-N 0 0 400.909 6.320 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000018123281 558831574 /nfs/dbraw/zinc/83/15/74/558831574.db2.gz WJNDTOLPZPJDFO-IQGLISFBSA-N 0 0 400.909 6.320 50 30 HKEARN COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000018129194 525765392 /nfs/dbraw/zinc/76/53/92/525765392.db2.gz QXHWQTXDXQAVEQ-XJLSEHEASA-N 0 0 414.530 5.542 50 30 HKEARN CC(=O)Nc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018136470 558831775 /nfs/dbraw/zinc/83/17/75/558831775.db2.gz MXGRYDCUIBBOLI-DEOSSOPVSA-N 0 0 403.526 5.484 50 30 HKEARN CC(=O)Nc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018136472 519734472 /nfs/dbraw/zinc/73/44/72/519734472.db2.gz MXGRYDCUIBBOLI-XMMPIXPASA-N 0 0 403.526 5.484 50 30 HKEARN Cc1cc2c(cc1C)N[C@@H](c1coc3ccccc3c1=O)C1=C(CC(C)(C)CC1=O)N2 ZINC000018136496 558831816 /nfs/dbraw/zinc/83/18/16/558831816.db2.gz GDFUHVQYWKGXEF-DEOSSOPVSA-N 0 0 414.505 5.632 50 30 biogenic HKEARN Cc1cc2c(cc1C)N[C@H](c1coc3ccccc3c1=O)C1=C(CC(C)(C)CC1=O)N2 ZINC000018136498 558831819 /nfs/dbraw/zinc/83/18/19/558831819.db2.gz GDFUHVQYWKGXEF-XMMPIXPASA-N 0 0 414.505 5.632 50 30 biogenic HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(NN=C4c5ccccc5NC4=O)c3c2C1 ZINC000018136621 558831766 /nfs/dbraw/zinc/83/17/66/558831766.db2.gz FWYYPEBWJNUCQT-ZDUSSCGKSA-N 0 0 419.554 5.001 50 30 HKEARN COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000018140325 558831990 /nfs/dbraw/zinc/83/19/90/558831990.db2.gz MLPOEUHNBFYCTM-KWZOLKRCSA-N 0 0 416.502 5.205 50 30 HKEARN O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000018140772 526946122 /nfs/dbraw/zinc/94/61/22/526946122.db2.gz SKDVXLOWFLNJGV-IZSQXYTLSA-N 0 0 406.507 5.352 50 30 HKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000018141809 526075321 /nfs/dbraw/zinc/07/53/21/526075321.db2.gz TUTYRLQNHFAZLK-QHCPKHFHSA-N 0 0 418.562 5.324 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1 ZINC000018142974 558831952 /nfs/dbraw/zinc/83/19/52/558831952.db2.gz NTRBLVCPTJLSQU-BXKMTCNYSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1 ZINC000018142977 558831997 /nfs/dbraw/zinc/83/19/97/558831997.db2.gz NTRBLVCPTJLSQU-MZNJEOGPSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1 ZINC000018142980 558832015 /nfs/dbraw/zinc/83/20/15/558832015.db2.gz NTRBLVCPTJLSQU-XDHUDOTRSA-N 0 0 402.519 5.736 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1 ZINC000018142983 558831996 /nfs/dbraw/zinc/83/19/96/558831996.db2.gz NTRBLVCPTJLSQU-OSPHWJPCSA-N 0 0 402.519 5.736 50 30 HKEARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1Cc1cccnc1 ZINC000018143322 560779844 /nfs/dbraw/zinc/77/98/44/560779844.db2.gz VYFYMKPSWAKDJB-PRGMTJJQSA-N 0 0 410.502 5.367 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000018143327 560779827 /nfs/dbraw/zinc/77/98/27/560779827.db2.gz IUEDIFOODUOALH-DCFHFQCYSA-N 0 0 409.533 5.732 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000018143757 558832116 /nfs/dbraw/zinc/83/21/16/558832116.db2.gz WKVGFSDIAPXUEL-QHCPKHFHSA-N 0 0 422.956 6.139 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000018143760 558832077 /nfs/dbraw/zinc/83/20/77/558832077.db2.gz WKVGFSDIAPXUEL-HSZRJFAPSA-N 0 0 422.956 6.139 50 30 HKEARN CCCCCOc1ccc(N=C(NC(=O)C(C)(C)C)Nc2nc(C)cc(C)n2)cc1 ZINC000018143934 560779866 /nfs/dbraw/zinc/77/98/66/560779866.db2.gz NBQWKXFHZPGWGI-UHFFFAOYSA-N 0 0 411.550 5.765 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000018145422 560779995 /nfs/dbraw/zinc/77/99/95/560779995.db2.gz TZDPBRQPCOWHGN-HSZRJFAPSA-N 0 0 418.512 5.377 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000018145724 560779966 /nfs/dbraw/zinc/77/99/66/560779966.db2.gz BEGJEBNQQIAQSS-NTKDMRAZSA-N 0 0 403.481 6.222 50 30 HKEARN O=C(NCc1ccccc1)c1c2c(sc1/N=C\c1ccc3c(c1)OCO3)CCCC2 ZINC000018156394 526737543 /nfs/dbraw/zinc/73/75/43/526737543.db2.gz BMIGTXYIXHJPND-WGARJPEWSA-N 0 0 418.518 5.036 50 30 HKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(Br)cc3)o1)CCCC2 ZINC000018158346 526532172 /nfs/dbraw/zinc/53/21/72/526532172.db2.gz QZWYETDIHRZMDY-FSJBWODESA-N 0 0 411.324 6.272 50 30 HKEARN Cc1cc(C(F)F)nc2sc3c(nc(N)c(C#N)c3-c3ccc(F)cc3F)c21 ZINC000018162273 560780687 /nfs/dbraw/zinc/78/06/87/560780687.db2.gz UCGUPNSWMHZOOS-UHFFFAOYSA-N 0 0 402.376 5.490 50 30 HKEARN COc1cccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1OC ZINC000018164290 560780420 /nfs/dbraw/zinc/78/04/20/560780420.db2.gz IFLFDEDKSGHURG-HXUWFJFHSA-N 0 0 415.489 5.482 50 30 HKEARN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000018164302 526341670 /nfs/dbraw/zinc/34/16/70/526341670.db2.gz MJBSQIBAZLCWAD-BZTNSOLFSA-N 0 0 407.886 6.517 50 30 HKEARN N#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1cccs1 ZINC000018165367 560780549 /nfs/dbraw/zinc/78/05/49/560780549.db2.gz UOEJFVWFTGTUGQ-UHFFFAOYSA-N 0 0 417.346 5.735 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000018166936 521166365 /nfs/dbraw/zinc/16/63/65/521166365.db2.gz ABFQSPBPSJORQW-DEOSSOPVSA-N 0 0 404.510 5.248 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000018166938 558832605 /nfs/dbraw/zinc/83/26/05/558832605.db2.gz ABFQSPBPSJORQW-XMMPIXPASA-N 0 0 404.510 5.248 50 30 HKEARN Cc1ccccc1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@]12CCOC(C)(C)C2 ZINC000018167565 560780694 /nfs/dbraw/zinc/78/06/94/560780694.db2.gz HWQDFPNQWKRRGN-QFIPXVFZSA-N 0 0 413.974 5.812 50 30 HKEARN CCCc1sc(N=NCc2cccnc2)nc1-c1ccc(Br)cc1 ZINC000018173244 560781188 /nfs/dbraw/zinc/78/11/88/560781188.db2.gz HNESALGPZMXRRR-CIAFOILYSA-N 0 0 401.333 5.366 50 30 HKEARN Cc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c(C)n1-c1ccccc1 ZINC000018173295 560781225 /nfs/dbraw/zinc/78/12/25/560781225.db2.gz BQNUTLUZYGGVTI-DEDYPNTBSA-N 0 0 407.926 5.639 50 30 HKEARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000018173751 526091632 /nfs/dbraw/zinc/09/16/32/526091632.db2.gz DPNXZWNATNDIKH-UXPNTOHASA-N 0 0 423.541 6.533 50 30 HKEARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000018173753 560781221 /nfs/dbraw/zinc/78/12/21/560781221.db2.gz DPNXZWNATNDIKH-QYBNEPECSA-N 0 0 423.541 6.533 50 30 HKEARN C=CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O ZINC000018176037 558832551 /nfs/dbraw/zinc/83/25/51/558832551.db2.gz IRNWQTKJWBYJPT-XJLSEHEASA-N 0 0 418.562 6.188 50 30 HKEARN Cc1ccc2c(c1Br)/C(=N/c1ccc(Oc3ccccc3)cc1)C(=O)N2 ZINC000018178130 526221651 /nfs/dbraw/zinc/22/16/51/526221651.db2.gz QBFHBYIGCSODGK-UHFFFAOYSA-N 0 0 407.267 5.623 50 30 HKEARN CCCCc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000018180230 521289249 /nfs/dbraw/zinc/28/92/49/521289249.db2.gz ZNUZBVIMLQUXBZ-QHCPKHFHSA-N 0 0 411.545 5.967 50 30 HKEARN CCCCc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000018180233 560781545 /nfs/dbraw/zinc/78/15/45/560781545.db2.gz ZNUZBVIMLQUXBZ-HSZRJFAPSA-N 0 0 411.545 5.967 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018181782 558832884 /nfs/dbraw/zinc/83/28/84/558832884.db2.gz PMLYULCKGWFCOO-QFIPXVFZSA-N 0 0 409.432 6.572 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018181785 527133483 /nfs/dbraw/zinc/13/34/83/527133483.db2.gz PMLYULCKGWFCOO-JOCHJYFZSA-N 0 0 409.432 6.572 50 30 HKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000018182178 560781953 /nfs/dbraw/zinc/78/19/53/560781953.db2.gz IUEDIFOODUOALH-CCLHPLFOSA-N 0 0 409.533 5.732 50 30 HKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000018182586 560781961 /nfs/dbraw/zinc/78/19/61/560781961.db2.gz JSGBFOOGKMUZGF-JOCHJYFZSA-N 0 0 406.913 5.255 50 30 HKEARN O=C1c2ccccc2S/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000018193042 560782143 /nfs/dbraw/zinc/78/21/43/560782143.db2.gz VGDTVMFDEWMPCS-SRZZPIQSSA-N 0 0 413.325 6.902 50 30 HKEARN O=C1CN(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 ZINC000018193926 560782235 /nfs/dbraw/zinc/78/22/35/560782235.db2.gz ZGCFSXXULFMMKO-XHEHIBSSSA-N 0 0 424.331 5.371 50 30 HKEARN O=C1CN(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 ZINC000018193928 527005190 /nfs/dbraw/zinc/00/51/90/527005190.db2.gz ZGCFSXXULFMMKO-SIBVSACJSA-N 0 0 424.331 5.371 50 30 HKEARN N#Cc1nc(-c2ccc(F)cc2)c(-c2ccc(C(=O)c3ccc(F)cc3)cc2)nc1C#N ZINC000018194165 560782217 /nfs/dbraw/zinc/78/22/17/560782217.db2.gz FPPFDBRBBNGEEZ-UHFFFAOYSA-N 0 0 422.394 5.063 50 30 HKEARN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000018194234 560782257 /nfs/dbraw/zinc/78/22/57/560782257.db2.gz JOLZQRDQYPKRJO-YBEGLDIGSA-N 0 0 417.292 5.373 50 30 HKEARN O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000018194599 560782266 /nfs/dbraw/zinc/78/22/66/560782266.db2.gz UQNBLTBLPQKNME-OSTCOYIHSA-N 0 0 411.932 7.063 50 30 HKEARN O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000018194602 558833086 /nfs/dbraw/zinc/83/30/86/558833086.db2.gz NLZQOHRDWSSSBQ-MXGAVVKNSA-N 0 0 401.893 6.656 50 30 HKEARN C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000018194736 560782360 /nfs/dbraw/zinc/78/23/60/560782360.db2.gz IWKMBCQLLPUKNW-MOHJPFBDSA-N 0 0 410.473 5.095 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Cl)c1 ZINC000018195396 560782344 /nfs/dbraw/zinc/78/23/44/560782344.db2.gz YHSVWBSCXKNLFJ-LJQANCHMSA-N 0 0 419.912 5.020 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Cl)c1 ZINC000018195397 560782326 /nfs/dbraw/zinc/78/23/26/560782326.db2.gz YHSVWBSCXKNLFJ-IBGZPJMESA-N 0 0 419.912 5.020 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000018196292 560782488 /nfs/dbraw/zinc/78/24/88/560782488.db2.gz RHXYBJSTRBUQKK-MLCYQJTMSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000018196294 560782484 /nfs/dbraw/zinc/78/24/84/560782484.db2.gz RHXYBJSTRBUQKK-MGNBDDOMSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000018196295 527024180 /nfs/dbraw/zinc/02/41/80/527024180.db2.gz RHXYBJSTRBUQKK-XTZNXHDOSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000018196297 560782449 /nfs/dbraw/zinc/78/24/49/560782449.db2.gz RHXYBJSTRBUQKK-YPMLDQLKSA-N 0 0 417.321 5.062 50 30 HKEARN COc1cc2c(c(OC)c1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018196392 560782612 /nfs/dbraw/zinc/78/26/12/560782612.db2.gz YVBWQEAYSRGUGZ-GOSISDBHSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018196394 560782617 /nfs/dbraw/zinc/78/26/17/560782617.db2.gz YVBWQEAYSRGUGZ-SFHVURJKSA-N 0 0 404.293 5.575 50 30 HKEARN CC(C)c1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018196492 560782588 /nfs/dbraw/zinc/78/25/88/560782588.db2.gz BJKFKNHWUCQUPE-KXBFYZLASA-N 0 0 405.523 5.258 50 30 HKEARN CSc1ccc([C@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196576 560782690 /nfs/dbraw/zinc/78/26/90/560782690.db2.gz PNPILMOABHNGGE-QHCPKHFHSA-N 0 0 416.546 5.493 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196578 560782737 /nfs/dbraw/zinc/78/27/37/560782737.db2.gz PNPILMOABHNGGE-HSZRJFAPSA-N 0 0 416.546 5.493 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2/C=C\c1ccccc1[N+](=O)[O-] ZINC000018196657 560782733 /nfs/dbraw/zinc/78/27/33/560782733.db2.gz WCHMGBSHIVUKNC-FYEXEBAFSA-N 0 0 424.500 6.398 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2/C=C\c1ccccc1[N+](=O)[O-] ZINC000018196660 560782687 /nfs/dbraw/zinc/78/26/87/560782687.db2.gz WCHMGBSHIVUKNC-QYQIINSRSA-N 0 0 424.500 6.398 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000018196858 560782724 /nfs/dbraw/zinc/78/27/24/560782724.db2.gz KZIZXEBBYOQWNP-DEOSSOPVSA-N 0 0 412.537 5.120 50 30 HKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000018196859 560782730 /nfs/dbraw/zinc/78/27/30/560782730.db2.gz KZIZXEBBYOQWNP-XMMPIXPASA-N 0 0 412.537 5.120 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)c1cc3c(cc1N2)OCO3 ZINC000018196888 560782735 /nfs/dbraw/zinc/78/27/35/560782735.db2.gz JOTFTQDBERAHQO-VWLOTQADSA-N 0 0 411.457 5.772 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)c1cc3c(cc1N2)OCO3 ZINC000018196890 526969961 /nfs/dbraw/zinc/96/99/61/526969961.db2.gz JOTFTQDBERAHQO-RUZDIDTESA-N 0 0 411.457 5.772 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196900 521276327 /nfs/dbraw/zinc/27/63/27/521276327.db2.gz PCXKZZVQZOFXCA-DEOSSOPVSA-N 0 0 414.505 5.170 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196902 560782714 /nfs/dbraw/zinc/78/27/14/560782714.db2.gz PCXKZZVQZOFXCA-XMMPIXPASA-N 0 0 414.505 5.170 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)O2 ZINC000018196908 560782720 /nfs/dbraw/zinc/78/27/20/560782720.db2.gz LCWPFPCMXXLTCS-VWLOTQADSA-N 0 0 412.533 5.895 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)O2 ZINC000018196910 560782738 /nfs/dbraw/zinc/78/27/38/560782738.db2.gz LCWPFPCMXXLTCS-RUZDIDTESA-N 0 0 412.533 5.895 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018196926 523052328 /nfs/dbraw/zinc/05/23/28/523052328.db2.gz METDOVPKJJTPSF-IBGZPJMESA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018196928 560782725 /nfs/dbraw/zinc/78/27/25/560782725.db2.gz METDOVPKJJTPSF-LJQANCHMSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2 ZINC000018196930 560782806 /nfs/dbraw/zinc/78/28/06/560782806.db2.gz HMGDMKSPWJOYIN-LJQANCHMSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2 ZINC000018196932 523038223 /nfs/dbraw/zinc/03/82/23/523038223.db2.gz HMGDMKSPWJOYIN-IBGZPJMESA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1COc1ccc(F)cc1 ZINC000018197059 560782822 /nfs/dbraw/zinc/78/28/22/560782822.db2.gz INIXUWATBMTFNY-UHFFFAOYSA-N 0 0 417.484 5.198 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)O2 ZINC000018197136 560782803 /nfs/dbraw/zinc/78/28/03/560782803.db2.gz RIIRGVOOOZCJGA-QFIPXVFZSA-N 0 0 404.897 5.425 50 30 HKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)O2 ZINC000018197137 526296455 /nfs/dbraw/zinc/29/64/55/526296455.db2.gz RIIRGVOOOZCJGA-JOCHJYFZSA-N 0 0 404.897 5.425 50 30 HKEARN CCN(CC)c1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc1 ZINC000018197208 520924068 /nfs/dbraw/zinc/92/40/68/520924068.db2.gz NRJOQVSVZQKCPU-DEOSSOPVSA-N 0 0 406.526 5.115 50 30 HKEARN CCN(CC)c1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc1 ZINC000018197210 560782757 /nfs/dbraw/zinc/78/27/57/560782757.db2.gz NRJOQVSVZQKCPU-XMMPIXPASA-N 0 0 406.526 5.115 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 ZINC000018197218 560782771 /nfs/dbraw/zinc/78/27/71/560782771.db2.gz AGZASBGIZVNSSS-FQEVSTJZSA-N 0 0 403.400 5.287 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 ZINC000018197220 560782763 /nfs/dbraw/zinc/78/27/63/560782763.db2.gz AGZASBGIZVNSSS-HXUWFJFHSA-N 0 0 403.400 5.287 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000018197229 560782759 /nfs/dbraw/zinc/78/27/59/560782759.db2.gz ICUIYHDOMMNLJP-FQEVSTJZSA-N 0 0 414.299 5.031 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000018197231 560782774 /nfs/dbraw/zinc/78/27/74/560782774.db2.gz ICUIYHDOMMNLJP-HXUWFJFHSA-N 0 0 414.299 5.031 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018197233 560782782 /nfs/dbraw/zinc/78/27/82/560782782.db2.gz ZDQFAXMRMJHCDM-FQEVSTJZSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018197235 560782761 /nfs/dbraw/zinc/78/27/61/560782761.db2.gz ZDQFAXMRMJHCDM-HXUWFJFHSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000018197237 523049426 /nfs/dbraw/zinc/04/94/26/523049426.db2.gz FKRIRBJKDULQNN-FQEVSTJZSA-N 0 0 404.293 5.575 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000018197239 523040464 /nfs/dbraw/zinc/04/04/64/523040464.db2.gz FKRIRBJKDULQNN-HXUWFJFHSA-N 0 0 404.293 5.575 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000018197310 560782801 /nfs/dbraw/zinc/78/28/01/560782801.db2.gz FHRZKUVZYSDELW-MLCYQJTMSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000018197312 560782826 /nfs/dbraw/zinc/78/28/26/560782826.db2.gz FHRZKUVZYSDELW-MGNBDDOMSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000018197314 560782773 /nfs/dbraw/zinc/78/27/73/560782773.db2.gz FHRZKUVZYSDELW-XTZNXHDOSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000018197316 560782805 /nfs/dbraw/zinc/78/28/05/560782805.db2.gz FHRZKUVZYSDELW-YPMLDQLKSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018197318 560782794 /nfs/dbraw/zinc/78/27/94/560782794.db2.gz ZWFIJMCBLKBUTP-ADLMAVQZSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018197319 560782937 /nfs/dbraw/zinc/78/29/37/560782937.db2.gz ZWFIJMCBLKBUTP-ZMZPIMSZSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018197321 560782936 /nfs/dbraw/zinc/78/29/36/560782936.db2.gz ZWFIJMCBLKBUTP-BBATYDOGSA-N 0 0 417.321 5.062 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018197323 560782886 /nfs/dbraw/zinc/78/28/86/560782886.db2.gz ZWFIJMCBLKBUTP-VOJFVSQTSA-N 0 0 417.321 5.062 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)c(Cl)c1)OCO3 ZINC000018197419 560782930 /nfs/dbraw/zinc/78/29/30/560782930.db2.gz AFUXWCSWEXLLBS-FQEVSTJZSA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)c(Cl)c1)OCO3 ZINC000018197421 560782896 /nfs/dbraw/zinc/78/28/96/560782896.db2.gz AFUXWCSWEXLLBS-HXUWFJFHSA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1Cl)OCO3 ZINC000018197422 520260590 /nfs/dbraw/zinc/26/05/90/520260590.db2.gz FDSJCLVHXOAJNY-FQEVSTJZSA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)cc1Cl)OCO3 ZINC000018197424 560782902 /nfs/dbraw/zinc/78/29/02/560782902.db2.gz FDSJCLVHXOAJNY-HXUWFJFHSA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1Cl)OCO3 ZINC000018197426 560782914 /nfs/dbraw/zinc/78/29/14/560782914.db2.gz VLUUQESHWBRSFY-IBGZPJMESA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1Cl)OCO3 ZINC000018197427 560782894 /nfs/dbraw/zinc/78/28/94/560782894.db2.gz VLUUQESHWBRSFY-LJQANCHMSA-N 0 0 416.304 5.923 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1C(F)(F)F)OCO3 ZINC000018197492 560782904 /nfs/dbraw/zinc/78/29/04/560782904.db2.gz VDUCFTVUDLKXSL-FQEVSTJZSA-N 0 0 415.411 5.635 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1C(F)(F)F)OCO3 ZINC000018197494 560782867 /nfs/dbraw/zinc/78/28/67/560782867.db2.gz VDUCFTVUDLKXSL-HXUWFJFHSA-N 0 0 415.411 5.635 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 ZINC000018197576 523047985 /nfs/dbraw/zinc/04/79/85/523047985.db2.gz SBKWZUOXZNBHTK-GOSISDBHSA-N 0 0 420.328 5.092 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 ZINC000018197578 560782352 /nfs/dbraw/zinc/78/23/52/560782352.db2.gz SBKWZUOXZNBHTK-SFHVURJKSA-N 0 0 420.328 5.092 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000018197688 560783419 /nfs/dbraw/zinc/78/34/19/560783419.db2.gz UGEWGTUGGRRKJJ-FQEVSTJZSA-N 0 0 414.299 5.031 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000018197690 560783450 /nfs/dbraw/zinc/78/34/50/560783450.db2.gz UGEWGTUGGRRKJJ-HXUWFJFHSA-N 0 0 414.299 5.031 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197775 560783402 /nfs/dbraw/zinc/78/34/02/560783402.db2.gz KQDYALYOUAZJRU-FYSMJZIKSA-N 0 0 417.530 5.724 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197777 560783398 /nfs/dbraw/zinc/78/33/98/560783398.db2.gz KQDYALYOUAZJRU-UPCLLVRISA-N 0 0 417.530 5.724 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccccc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197779 523050760 /nfs/dbraw/zinc/05/07/60/523050760.db2.gz KQDYALYOUAZJRU-GYCJOSAFSA-N 0 0 417.530 5.724 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197781 523041452 /nfs/dbraw/zinc/04/14/52/523041452.db2.gz KQDYALYOUAZJRU-VOIUYBSRSA-N 0 0 417.530 5.724 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018197929 560783431 /nfs/dbraw/zinc/78/34/31/560783431.db2.gz ANYNUZQAHZVHMO-YADARESESA-N 0 0 424.529 5.422 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018197931 560783440 /nfs/dbraw/zinc/78/34/40/560783440.db2.gz ANYNUZQAHZVHMO-NTKDMRAZSA-N 0 0 424.529 5.422 50 30 HKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018197933 560783427 /nfs/dbraw/zinc/78/34/27/560783427.db2.gz ANYNUZQAHZVHMO-CYFREDJKSA-N 0 0 424.529 5.422 50 30 HKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018197935 560783382 /nfs/dbraw/zinc/78/33/82/560783382.db2.gz ANYNUZQAHZVHMO-DVECYGJZSA-N 0 0 424.529 5.422 50 30 HKEARN Cn1c2ccccc2c2c(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000018199673 560783715 /nfs/dbraw/zinc/78/37/15/560783715.db2.gz PZTGKFVHEPOHQW-FQEVSTJZSA-N 0 0 419.908 5.359 50 30 HKEARN Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000018199675 560783712 /nfs/dbraw/zinc/78/37/12/560783712.db2.gz PZTGKFVHEPOHQW-HXUWFJFHSA-N 0 0 419.908 5.359 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018200050 560782943 /nfs/dbraw/zinc/78/29/43/560782943.db2.gz BJWGQPGUUJVREB-WNSKOXEYSA-N 0 0 418.518 5.119 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018200052 569387392 /nfs/dbraw/zinc/38/73/92/569387392.db2.gz BJWGQPGUUJVREB-NPMXOYFQSA-N 0 0 418.518 5.119 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018200053 560782976 /nfs/dbraw/zinc/78/29/76/560782976.db2.gz BJWGQPGUUJVREB-CMJOXMDJSA-N 0 0 418.518 5.119 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018200054 523044131 /nfs/dbraw/zinc/04/41/31/523044131.db2.gz BJWGQPGUUJVREB-IQMFZBJNSA-N 0 0 418.518 5.119 50 30 HKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000018200318 560782995 /nfs/dbraw/zinc/78/29/95/560782995.db2.gz MKTIDHYOUZMIMQ-LJQANCHMSA-N 0 0 403.400 5.287 50 30 HKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000018200320 560782971 /nfs/dbraw/zinc/78/29/71/560782971.db2.gz MKTIDHYOUZMIMQ-IBGZPJMESA-N 0 0 403.400 5.287 50 30 HKEARN COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000018200321 523048354 /nfs/dbraw/zinc/04/83/54/523048354.db2.gz URWFQVBZRBJGHX-FQEVSTJZSA-N 0 0 403.400 5.287 50 30 HKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000018200323 560782999 /nfs/dbraw/zinc/78/29/99/560782999.db2.gz URWFQVBZRBJGHX-HXUWFJFHSA-N 0 0 403.400 5.287 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000018202377 558833200 /nfs/dbraw/zinc/83/32/00/558833200.db2.gz KWFVUMRKFODBDD-HXUWFJFHSA-N 0 0 407.828 5.262 50 30 HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000018209039 560784401 /nfs/dbraw/zinc/78/44/01/560784401.db2.gz IUEDIFOODUOALH-NFQMXDRXSA-N 0 0 409.533 5.732 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Sc1ccccc1N2 ZINC000018219565 558833996 /nfs/dbraw/zinc/83/39/96/558833996.db2.gz LGBJBVURTHENNC-QFIPXVFZSA-N 0 0 420.877 6.115 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Sc1ccccc1N2 ZINC000018219567 558834032 /nfs/dbraw/zinc/83/40/32/558834032.db2.gz LGBJBVURTHENNC-JOCHJYFZSA-N 0 0 420.877 6.115 50 30 HKEARN O=C(Nc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000018227620 560785028 /nfs/dbraw/zinc/78/50/28/560785028.db2.gz GCMDNTZPKZULMN-DHRITJCHSA-N 0 0 413.355 5.617 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)CN(Cc1ccccc1)CC2 ZINC000018241842 560785329 /nfs/dbraw/zinc/78/53/29/560785329.db2.gz AJSJGVXKTDXNMB-UHFFFAOYSA-N 0 0 409.320 5.068 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccco1 ZINC000018244301 558834398 /nfs/dbraw/zinc/83/43/98/558834398.db2.gz PBYZJAAMDICKIB-XMMPIXPASA-N 0 0 412.489 5.733 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccco1 ZINC000018244303 558834436 /nfs/dbraw/zinc/83/44/36/558834436.db2.gz PBYZJAAMDICKIB-DEOSSOPVSA-N 0 0 412.489 5.733 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000018249520 558834587 /nfs/dbraw/zinc/83/45/87/558834587.db2.gz VVMOFZQENBHUEY-QFIPXVFZSA-N 0 0 410.325 6.860 50 30 HKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000018249522 558834511 /nfs/dbraw/zinc/83/45/11/558834511.db2.gz VVMOFZQENBHUEY-JOCHJYFZSA-N 0 0 410.325 6.860 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000018250027 560785460 /nfs/dbraw/zinc/78/54/60/560785460.db2.gz UNOQSTZPCVOPNP-AVRDEDQJSA-N 0 0 420.597 6.249 50 30 biogenic HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@@H]1CC=C(C)C1(C)C ZINC000018250029 560785423 /nfs/dbraw/zinc/78/54/23/560785423.db2.gz UNOQSTZPCVOPNP-PGRDOPGGSA-N 0 0 420.597 6.249 50 30 biogenic HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@H]1CC=C(C)C1(C)C ZINC000018250031 560785471 /nfs/dbraw/zinc/78/54/71/560785471.db2.gz UNOQSTZPCVOPNP-GCJKJVERSA-N 0 0 420.597 6.249 50 30 biogenic HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@H]1CC=C(C)C1(C)C ZINC000018250032 560785427 /nfs/dbraw/zinc/78/54/27/560785427.db2.gz UNOQSTZPCVOPNP-XMSQKQJNSA-N 0 0 420.597 6.249 50 30 biogenic HKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000018250699 522249541 /nfs/dbraw/zinc/24/95/41/522249541.db2.gz IUEDIFOODUOALH-HRFSGMKKSA-N 0 0 409.533 5.732 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000018250701 519477767 /nfs/dbraw/zinc/47/77/67/519477767.db2.gz SRLJQNJKUDNMKF-QHCPKHFHSA-N 0 0 406.501 5.625 50 30 HKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000018250702 558834825 /nfs/dbraw/zinc/83/48/25/558834825.db2.gz SRLJQNJKUDNMKF-HSZRJFAPSA-N 0 0 406.501 5.625 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1c[nH]c2ccccc21 ZINC000018250706 521165781 /nfs/dbraw/zinc/16/57/81/521165781.db2.gz PCEKDXLAAVMYJQ-VWLOTQADSA-N 0 0 413.521 5.721 50 30 HKEARN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1c[nH]c2ccccc21 ZINC000018250708 558834877 /nfs/dbraw/zinc/83/48/77/558834877.db2.gz PCEKDXLAAVMYJQ-RUZDIDTESA-N 0 0 413.521 5.721 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000018250713 558834901 /nfs/dbraw/zinc/83/49/01/558834901.db2.gz XTNUCUHBGGYIKO-QHCPKHFHSA-N 0 0 408.929 5.893 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018250715 558834935 /nfs/dbraw/zinc/83/49/35/558834935.db2.gz XTNUCUHBGGYIKO-HSZRJFAPSA-N 0 0 408.929 5.893 50 30 HKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000018250751 558834848 /nfs/dbraw/zinc/83/48/48/558834848.db2.gz OQLDTINGYXKBEQ-SSOJOUAXSA-N 0 0 418.899 6.459 50 30 HKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000018250779 558834874 /nfs/dbraw/zinc/83/48/74/558834874.db2.gz DHGRMELLGORWSB-DEOSSOPVSA-N 0 0 403.526 5.271 50 30 HKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000018250781 558834940 /nfs/dbraw/zinc/83/49/40/558834940.db2.gz DHGRMELLGORWSB-XMMPIXPASA-N 0 0 403.526 5.271 50 30 HKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1 ZINC000018254792 527041978 /nfs/dbraw/zinc/04/19/78/527041978.db2.gz UERXOOIYAKHTGD-SFQUDFHCSA-N 0 0 414.317 5.676 50 30 HKEARN Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 ZINC000018255119 558835100 /nfs/dbraw/zinc/83/51/00/558835100.db2.gz HSFKBCGHPOHOPW-ATVHPVEESA-N 0 0 401.919 5.123 50 30 HKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)o1 ZINC000018255123 558835016 /nfs/dbraw/zinc/83/50/16/558835016.db2.gz QWVNVONFDGZYBJ-UVTDQMKNSA-N 0 0 408.310 5.078 50 30 HKEARN O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000018265310 526943341 /nfs/dbraw/zinc/94/33/41/526943341.db2.gz KEIBORGGPVJFFY-SHSCQTOKSA-N 0 0 413.502 5.608 50 30 HKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000018265335 558835104 /nfs/dbraw/zinc/83/51/04/558835104.db2.gz JNYMIGKOGRELOP-XKZIYDEJSA-N 0 0 419.525 5.742 50 30 HKEARN C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OCC)c1O ZINC000018272459 519124726 /nfs/dbraw/zinc/12/47/26/519124726.db2.gz YAGJYRXSZGXUEL-DEDYPNTBSA-N 0 0 408.523 5.028 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 ZINC000018276050 558835401 /nfs/dbraw/zinc/83/54/01/558835401.db2.gz FBVBSCDJBMBVBG-HFJWLAOPSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1 ZINC000018276052 558835399 /nfs/dbraw/zinc/83/53/99/558835399.db2.gz FBVBSCDJBMBVBG-WXTAPIANSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 ZINC000018276053 558835296 /nfs/dbraw/zinc/83/52/96/558835296.db2.gz FBVBSCDJBMBVBG-QYBDOPJKSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1 ZINC000018276055 558835370 /nfs/dbraw/zinc/83/53/70/558835370.db2.gz FBVBSCDJBMBVBG-DWXRJYCRSA-N 0 0 412.489 5.380 50 30 HKEARN COc1ccc(-c2oc(/N=C/N3CCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000018276526 558835332 /nfs/dbraw/zinc/83/53/32/558835332.db2.gz GPQMZXKHXCWJDP-WGOQTCKBSA-N 0 0 401.466 5.258 50 30 HKEARN O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000018282835 558835377 /nfs/dbraw/zinc/83/53/77/558835377.db2.gz POTJOUWUAUYROC-UUFSLDAJSA-N 0 0 415.876 5.523 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000018283887 525231407 /nfs/dbraw/zinc/23/14/07/525231407.db2.gz NXHPSNWSVPMTKE-CCLHPLFOSA-N 0 0 410.517 5.983 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000018283896 558835318 /nfs/dbraw/zinc/83/53/18/558835318.db2.gz NXHPSNWSVPMTKE-DCFHFQCYSA-N 0 0 410.517 5.983 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc(O)c1)N2 ZINC000018284233 558835354 /nfs/dbraw/zinc/83/53/54/558835354.db2.gz QZBKPAKMFPLBMN-VWLOTQADSA-N 0 0 410.473 5.209 50 30 HKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc(O)c1)N2 ZINC000018284238 558835490 /nfs/dbraw/zinc/83/54/90/558835490.db2.gz QZBKPAKMFPLBMN-RUZDIDTESA-N 0 0 410.473 5.209 50 30 HKEARN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000018284787 558835423 /nfs/dbraw/zinc/83/54/23/558835423.db2.gz POTJOUWUAUYROC-LJJIPZOBSA-N 0 0 415.876 5.523 50 30 HKEARN CCCCCc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1CCCC ZINC000018285325 571314525 /nfs/dbraw/zinc/31/45/25/571314525.db2.gz UTTHZVSWTVTXOU-UHFFFAOYSA-N 0 0 400.364 6.040 50 30 HKEARN COc1ccc(N2C(SC)=N/C(=N/c3c(C)cccc3C)C23CCCCC3)cc1 ZINC000018285846 560786347 /nfs/dbraw/zinc/78/63/47/560786347.db2.gz AOVAGBLMBJJJBQ-YYDJUVGSSA-N 0 0 407.583 6.284 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000018322717 558835418 /nfs/dbraw/zinc/83/54/18/558835418.db2.gz UKDJUSMNANOMFN-DWXRJYCRSA-N 0 0 412.489 5.590 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000018322721 558835496 /nfs/dbraw/zinc/83/54/96/558835496.db2.gz UKDJUSMNANOMFN-WXTAPIANSA-N 0 0 412.489 5.590 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000018322725 558835453 /nfs/dbraw/zinc/83/54/53/558835453.db2.gz UKDJUSMNANOMFN-QYBDOPJKSA-N 0 0 412.489 5.590 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000018322729 558835515 /nfs/dbraw/zinc/83/55/15/558835515.db2.gz UKDJUSMNANOMFN-HFJWLAOPSA-N 0 0 412.489 5.590 50 30 HKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccc(Cl)c(Cl)c2)Nc2ccccc2)n1 ZINC000018323136 558835504 /nfs/dbraw/zinc/83/55/04/558835504.db2.gz HXBCJHNTYCQSAC-UHFFFAOYSA-N 0 0 414.296 5.121 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000018323556 558835637 /nfs/dbraw/zinc/83/56/37/558835637.db2.gz UIRVWNKUQPNQBQ-SSOJOUAXSA-N 0 0 411.461 5.574 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000018323560 558835677 /nfs/dbraw/zinc/83/56/77/558835677.db2.gz UIRVWNKUQPNQBQ-CRICUBBOSA-N 0 0 411.461 5.574 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000018323563 558835678 /nfs/dbraw/zinc/83/56/78/558835678.db2.gz UIRVWNKUQPNQBQ-GKVSMKOHSA-N 0 0 411.461 5.574 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000018323567 558835659 /nfs/dbraw/zinc/83/56/59/558835659.db2.gz UIRVWNKUQPNQBQ-NSYGIPOTSA-N 0 0 411.461 5.574 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccnc1 ZINC000018323807 558835601 /nfs/dbraw/zinc/83/56/01/558835601.db2.gz NFVNFMVMSMSAPQ-RUZDIDTESA-N 0 0 423.516 5.538 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccnc1 ZINC000018323810 558835671 /nfs/dbraw/zinc/83/56/71/558835671.db2.gz NFVNFMVMSMSAPQ-VWLOTQADSA-N 0 0 423.516 5.538 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000018324392 560824529 /nfs/dbraw/zinc/82/45/29/560824529.db2.gz KLENDZKLIGGELR-MYYSRTQBSA-N 0 0 402.450 5.183 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000018324395 560824519 /nfs/dbraw/zinc/82/45/19/560824519.db2.gz KLENDZKLIGGELR-OYLFLEFRSA-N 0 0 402.450 5.183 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000018324399 560824635 /nfs/dbraw/zinc/82/46/35/560824635.db2.gz KLENDZKLIGGELR-OWJWWREXSA-N 0 0 402.450 5.183 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000018324402 560824655 /nfs/dbraw/zinc/82/46/55/560824655.db2.gz KLENDZKLIGGELR-IZHWHUGBSA-N 0 0 402.450 5.183 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018324619 558835643 /nfs/dbraw/zinc/83/56/43/558835643.db2.gz FDSKRIDRRFPXBU-VWLOTQADSA-N 0 0 416.565 6.147 50 30 HKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018324622 558835616 /nfs/dbraw/zinc/83/56/16/558835616.db2.gz FDSKRIDRRFPXBU-RUZDIDTESA-N 0 0 416.565 6.147 50 30 HKEARN C[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC(C)(C)C ZINC000018613395 559068208 /nfs/dbraw/zinc/06/82/08/559068208.db2.gz YHCYKFAEWKYLQS-SNVBAGLBSA-N 0 0 413.490 5.096 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019201971 568939343 /nfs/dbraw/zinc/93/93/43/568939343.db2.gz ALYACXKDAYMDHI-SFHVURJKSA-N 0 0 422.352 5.551 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019201976 520505858 /nfs/dbraw/zinc/50/58/58/520505858.db2.gz ALYACXKDAYMDHI-GOSISDBHSA-N 0 0 422.352 5.551 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000019229053 558853154 /nfs/dbraw/zinc/85/31/54/558853154.db2.gz JRJFPGTYRGVBGA-HSZRJFAPSA-N 0 0 401.506 5.131 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000019229055 558853229 /nfs/dbraw/zinc/85/32/29/558853229.db2.gz JRJFPGTYRGVBGA-QHCPKHFHSA-N 0 0 401.506 5.131 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000019314825 558866930 /nfs/dbraw/zinc/86/69/30/558866930.db2.gz MPRDLLRZFVZTRD-QHCPKHFHSA-N 0 0 401.506 5.275 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000019314828 520508693 /nfs/dbraw/zinc/50/86/93/520508693.db2.gz MPRDLLRZFVZTRD-HSZRJFAPSA-N 0 0 401.506 5.275 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019315080 520818226 /nfs/dbraw/zinc/81/82/26/520818226.db2.gz ZSSAZQSHMXXEOI-OAQYLSRUSA-N 0 0 413.945 5.430 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019315083 520818897 /nfs/dbraw/zinc/81/88/97/520818897.db2.gz ZSSAZQSHMXXEOI-NRFANRHFSA-N 0 0 413.945 5.430 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019315222 558867096 /nfs/dbraw/zinc/86/70/96/558867096.db2.gz HIHKHRNPBLIRHA-GOSISDBHSA-N 0 0 408.325 5.161 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019315225 558867082 /nfs/dbraw/zinc/86/70/82/558867082.db2.gz HIHKHRNPBLIRHA-SFHVURJKSA-N 0 0 408.325 5.161 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019315268 558867134 /nfs/dbraw/zinc/86/71/34/558867134.db2.gz HIEVPJCEEIGTOP-OAQYLSRUSA-N 0 0 413.945 5.430 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019315271 558867074 /nfs/dbraw/zinc/86/70/74/558867074.db2.gz HIEVPJCEEIGTOP-NRFANRHFSA-N 0 0 413.945 5.430 50 30 HKEARN CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000019337913 569420022 /nfs/dbraw/zinc/42/00/22/569420022.db2.gz RHVDXXNPMNAQPI-UHFFFAOYSA-N 0 0 412.518 5.173 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c(Cl)c1 ZINC000019418932 558885375 /nfs/dbraw/zinc/88/53/75/558885375.db2.gz LHEUSUQQZJOOFI-UHFFFAOYSA-N 0 0 418.364 5.967 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(F)(F)F)cc1 ZINC000019418934 520257880 /nfs/dbraw/zinc/25/78/80/520257880.db2.gz CDGFTOIITMNNQM-UHFFFAOYSA-N 0 0 417.471 5.679 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019535596 558913753 /nfs/dbraw/zinc/91/37/53/558913753.db2.gz GQWBDZPSLQRPLV-JOCHJYFZSA-N 0 0 407.897 5.051 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019535599 558913767 /nfs/dbraw/zinc/91/37/67/558913767.db2.gz GQWBDZPSLQRPLV-QFIPXVFZSA-N 0 0 407.897 5.051 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535856 558913780 /nfs/dbraw/zinc/91/37/80/558913780.db2.gz UGMVPJVUDRWHQJ-OAQYLSRUSA-N 0 0 413.945 5.430 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535859 520818102 /nfs/dbraw/zinc/81/81/02/520818102.db2.gz UGMVPJVUDRWHQJ-NRFANRHFSA-N 0 0 413.945 5.430 50 30 HKEARN COc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000019536010 524744161 /nfs/dbraw/zinc/74/41/61/524744161.db2.gz MQRZYRHVGQUJIA-HSZRJFAPSA-N 0 0 423.553 5.175 50 30 HKEARN COc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000019536012 558913739 /nfs/dbraw/zinc/91/37/39/558913739.db2.gz MQRZYRHVGQUJIA-QHCPKHFHSA-N 0 0 423.553 5.175 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000019536124 520818038 /nfs/dbraw/zinc/81/80/38/520818038.db2.gz XGYDBNKXCKMBAL-LJQANCHMSA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000019536127 558913759 /nfs/dbraw/zinc/91/37/59/558913759.db2.gz XGYDBNKXCKMBAL-IBGZPJMESA-N 0 0 420.336 5.447 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019536294 558913764 /nfs/dbraw/zinc/91/37/64/558913764.db2.gz HZMSSUSPEGDANA-JOCHJYFZSA-N 0 0 407.897 5.051 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019536297 520826591 /nfs/dbraw/zinc/82/65/91/520826591.db2.gz HZMSSUSPEGDANA-QFIPXVFZSA-N 0 0 407.897 5.051 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 ZINC000019536409 558914047 /nfs/dbraw/zinc/91/40/47/558914047.db2.gz PVFJCEPQSYORAH-JOCHJYFZSA-N 0 0 411.542 5.029 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 ZINC000019536412 558914053 /nfs/dbraw/zinc/91/40/53/558914053.db2.gz PVFJCEPQSYORAH-QFIPXVFZSA-N 0 0 411.542 5.029 50 30 HKEARN C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000019593928 519067500 /nfs/dbraw/zinc/06/75/00/519067500.db2.gz JVNQWNVPWJVCAZ-UHFFFAOYSA-N 0 0 405.538 5.225 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)cc1 ZINC000019624940 569425950 /nfs/dbraw/zinc/42/59/50/569425950.db2.gz AFHBQPKDEDQKJJ-OQRYGUKSSA-N 0 0 401.456 5.517 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000019638236 558947754 /nfs/dbraw/zinc/94/77/54/558947754.db2.gz DNJDBWJEOGPQCR-HXUWFJFHSA-N 0 0 419.443 5.159 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000019638240 558947679 /nfs/dbraw/zinc/94/76/79/558947679.db2.gz DNJDBWJEOGPQCR-FQEVSTJZSA-N 0 0 419.443 5.159 50 30 HKEARN Clc1ccccc1CN1CCN(/N=C/c2cccc(OCc3ccccc3)c2)CC1 ZINC000019682228 558956924 /nfs/dbraw/zinc/95/69/24/558956924.db2.gz RDKROQLFNRIYMY-OVVQPSECSA-N 0 0 419.956 5.071 50 30 HKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(c1ccccc1)N1CCOCC1 ZINC000019720535 569018383 /nfs/dbraw/zinc/01/83/83/569018383.db2.gz HUXDMSQQMOBHEL-MUUNZHRXSA-N 0 0 407.513 5.089 50 30 HKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(c1ccccc1)N1CCOCC1 ZINC000019720536 569018333 /nfs/dbraw/zinc/01/83/33/569018333.db2.gz HUXDMSQQMOBHEL-NDEPHWFRSA-N 0 0 407.513 5.089 50 30 HKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019731549 569154502 /nfs/dbraw/zinc/15/45/02/569154502.db2.gz LKYAVIXCWAQVBF-RUZDIDTESA-N 0 0 415.533 5.684 50 30 HKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019731551 569154479 /nfs/dbraw/zinc/15/44/79/569154479.db2.gz LKYAVIXCWAQVBF-VWLOTQADSA-N 0 0 415.533 5.684 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc(Cl)c1Cl ZINC000019758170 520257730 /nfs/dbraw/zinc/25/77/30/520257730.db2.gz IEIUNKGGOLRDES-QUCCMNQESA-N 0 0 424.327 6.036 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(Cl)c1Cl ZINC000019758174 571314461 /nfs/dbraw/zinc/31/44/61/571314461.db2.gz IEIUNKGGOLRDES-ICSRJNTNSA-N 0 0 424.327 6.036 50 30 HKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019760828 558276165 /nfs/dbraw/zinc/27/61/65/558276165.db2.gz JUSHILFXVMWDJD-SQJMNOBHSA-N 0 0 415.533 5.247 50 30 HKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019760833 558276285 /nfs/dbraw/zinc/27/62/85/558276285.db2.gz JUSHILFXVMWDJD-BWKNWUBXSA-N 0 0 415.533 5.247 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019771438 558279948 /nfs/dbraw/zinc/27/99/48/558279948.db2.gz YPUNKDAXMIVCFB-HSZRJFAPSA-N 0 0 421.562 5.138 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019771439 558279998 /nfs/dbraw/zinc/27/99/98/558279998.db2.gz YPUNKDAXMIVCFB-QHCPKHFHSA-N 0 0 421.562 5.138 50 30 HKEARN CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019771508 558279928 /nfs/dbraw/zinc/27/99/28/558279928.db2.gz VIOOPISOHRCVKI-OVVQPSECSA-N 0 0 407.602 5.139 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000019772298 520818936 /nfs/dbraw/zinc/81/89/36/520818936.db2.gz RTXUPXIWSRUHJR-HXUWFJFHSA-N 0 0 419.443 5.159 50 30 HKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000019772300 558280339 /nfs/dbraw/zinc/28/03/39/558280339.db2.gz RTXUPXIWSRUHJR-FQEVSTJZSA-N 0 0 419.443 5.159 50 30 HKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019772383 520819708 /nfs/dbraw/zinc/81/97/08/520819708.db2.gz MIVJTEXBWITYBU-RUZDIDTESA-N 0 0 415.533 5.521 50 30 HKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019772385 558280304 /nfs/dbraw/zinc/28/03/04/558280304.db2.gz MIVJTEXBWITYBU-VWLOTQADSA-N 0 0 415.533 5.521 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000019772599 520825929 /nfs/dbraw/zinc/82/59/29/520825929.db2.gz OPGWCDSLOCPAGF-RUZDIDTESA-N 0 0 415.533 5.521 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000019772601 558280287 /nfs/dbraw/zinc/28/02/87/558280287.db2.gz OPGWCDSLOCPAGF-VWLOTQADSA-N 0 0 415.533 5.521 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019774651 558280909 /nfs/dbraw/zinc/28/09/09/558280909.db2.gz YJBWJDAZVYMSMA-AREMUKBSSA-N 0 0 423.512 5.551 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000019774653 558280838 /nfs/dbraw/zinc/28/08/38/558280838.db2.gz YJBWJDAZVYMSMA-SANMLTNESA-N 0 0 423.512 5.551 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019788375 558281929 /nfs/dbraw/zinc/28/19/29/558281929.db2.gz NGDRTKYKONSWOP-QFIPXVFZSA-N 0 0 404.485 5.068 50 30 HKEARN Clc1ccccc1CN1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000019790546 526987024 /nfs/dbraw/zinc/98/70/24/526987024.db2.gz HEKBRBDMBAWBPV-OVVQPSECSA-N 0 0 419.956 5.071 50 30 HKEARN Cc1ccc(CN2CCN(/N=C/c3cccc(OCc4ccccc4)c3)CC2)c(C)c1 ZINC000019791124 524456410 /nfs/dbraw/zinc/45/64/10/524456410.db2.gz JOMPLBCMTNCZMV-TURZUDJPSA-N 0 0 413.565 5.034 50 30 HKEARN N#Cc1c(N)nc2c3cc4c(nc3sc2c1-c1ccc(Br)cc1)CCC4 ZINC000019798020 569430541 /nfs/dbraw/zinc/43/05/41/569430541.db2.gz RVQZSVLRIFUBCA-UHFFFAOYSA-N 0 0 421.323 5.217 50 30 HKEARN CSc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019798317 558284772 /nfs/dbraw/zinc/28/47/72/558284772.db2.gz IJFRXWKVSOGOHV-JOCHJYFZSA-N 0 0 411.567 5.252 50 30 HKEARN CSc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019798319 526077806 /nfs/dbraw/zinc/07/78/06/526077806.db2.gz IJFRXWKVSOGOHV-QFIPXVFZSA-N 0 0 411.567 5.252 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019798456 558284777 /nfs/dbraw/zinc/28/47/77/558284777.db2.gz VLOYVUFNHUUOKF-HSZRJFAPSA-N 0 0 417.505 5.256 50 30 HKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019798457 522878016 /nfs/dbraw/zinc/87/80/16/522878016.db2.gz VLOYVUFNHUUOKF-QHCPKHFHSA-N 0 0 417.505 5.256 50 30 HKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000019798711 518834156 /nfs/dbraw/zinc/83/41/56/518834156.db2.gz FYTJXKFXHQJBOO-LDADJPATSA-N 0 0 401.940 5.306 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(C)c2)SC1=S ZINC000019798764 518823653 /nfs/dbraw/zinc/82/36/53/518823653.db2.gz FBUZBQOJYPSHOC-UNOMPAQXSA-N 0 0 415.967 5.615 50 30 HKEARN Clc1ccccc1CN1CCN(/N=C/c2c3ccccc3cc3ccccc32)CC1 ZINC000019799011 558285018 /nfs/dbraw/zinc/28/50/18/558285018.db2.gz IFXSCDOYHRYSCK-MTDXEUNCSA-N 0 0 413.952 5.798 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)c(C)s2)c(F)c1 ZINC000019800415 571308828 /nfs/dbraw/zinc/30/88/28/571308828.db2.gz OXLXZZWHSJWBIC-UFFVCSGVSA-N 0 0 420.307 5.475 50 30 HKEARN Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=N/c2ccc(Cl)cc2)cc1 ZINC000019800586 558285595 /nfs/dbraw/zinc/28/55/95/558285595.db2.gz QAIFAJHIQZBINY-AFUMVMLFSA-N 0 0 419.937 5.867 50 30 HKEARN CN1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C1 ZINC000019800866 569430573 /nfs/dbraw/zinc/43/05/73/569430573.db2.gz KNIUVCCZZZCRBA-LKNRODPVSA-N 0 0 401.594 6.263 50 30 HKEARN N#Cc1c(N)nc(SCc2c(F)cccc2Cl)c(C#N)c1-c1cccs1 ZINC000019805229 569430505 /nfs/dbraw/zinc/43/05/05/569430505.db2.gz QGMAMHZFUWTQCB-UHFFFAOYSA-N 0 0 400.891 5.220 50 30 HKEARN CC(C)(C)c1ccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 ZINC000019805300 569430341 /nfs/dbraw/zinc/43/03/41/569430341.db2.gz IRMZDMGDIWTJKG-UHFFFAOYSA-N 0 0 404.564 5.725 50 30 HKEARN N#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccccc1 ZINC000019805323 569430375 /nfs/dbraw/zinc/43/03/75/569430375.db2.gz IJDTVUSWFOOQPP-UHFFFAOYSA-N 0 0 411.317 5.673 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Cl)cc1Cl ZINC000019805454 558285903 /nfs/dbraw/zinc/28/59/03/558285903.db2.gz FLNHXIZNFPNIRI-CTNGQTDRSA-N 0 0 424.327 6.036 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000019805475 520494643 /nfs/dbraw/zinc/49/46/43/520494643.db2.gz FLGGTXBRYCCAGS-HXUWFJFHSA-N 0 0 401.572 5.213 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000019805477 520496978 /nfs/dbraw/zinc/49/69/78/520496978.db2.gz FLGGTXBRYCCAGS-FQEVSTJZSA-N 0 0 401.572 5.213 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019805794 558285842 /nfs/dbraw/zinc/28/58/42/558285842.db2.gz ZABLZJLPMUPVTG-XHLNEMQHSA-N 0 0 421.544 5.287 50 30 HKEARN C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019805809 558285820 /nfs/dbraw/zinc/28/58/20/558285820.db2.gz ZVDXIMYFGWGRMY-OOAXWGSJSA-N 0 0 403.957 5.471 50 30 HKEARN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000019809999 519004300 /nfs/dbraw/zinc/00/43/00/519004300.db2.gz AXMSZKFRDMFCBC-UHFFFAOYSA-N 0 0 418.320 5.259 50 30 HKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000019810023 526632903 /nfs/dbraw/zinc/63/29/03/526632903.db2.gz ZRVWANWCUFSCKT-UHFFFAOYSA-N 0 0 402.910 5.752 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(C)c1 ZINC000019810526 519224032 /nfs/dbraw/zinc/22/40/32/519224032.db2.gz OPGOJSUHWWOMLD-UHFFFAOYSA-N 0 0 420.582 5.468 50 30 HKEARN N#CC1(C#N)[C@@H](c2cccs2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 ZINC000019817758 526429781 /nfs/dbraw/zinc/42/97/81/526429781.db2.gz ICTVRHKXLLEAPK-VWPQPMDRSA-N 0 0 413.527 5.219 50 30 HKEARN COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820337 569430813 /nfs/dbraw/zinc/43/08/13/569430813.db2.gz JLWYLLIKMYVKNA-UHFFFAOYSA-N 0 0 418.566 6.095 50 30 HKEARN COc1cccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 ZINC000019820341 569430719 /nfs/dbraw/zinc/43/07/19/569430719.db2.gz FUFQUGXDKZXNDK-UHFFFAOYSA-N 0 0 404.539 5.787 50 30 HKEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N(C)Cc2ccccc2)n1 ZINC000019820357 569430818 /nfs/dbraw/zinc/43/08/18/569430818.db2.gz KAXWZCXDXMHFHH-UHFFFAOYSA-N 0 0 402.567 5.671 50 30 HKEARN CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820365 526215281 /nfs/dbraw/zinc/21/52/81/526215281.db2.gz UVTPIXIDRWECPU-UHFFFAOYSA-N 0 0 402.567 6.395 50 30 HKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000019820367 569430739 /nfs/dbraw/zinc/43/07/39/569430739.db2.gz KKQAVZCMHKMWSH-UHFFFAOYSA-N 0 0 404.539 5.787 50 30 HKEARN CCOc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000019820369 569430821 /nfs/dbraw/zinc/43/08/21/569430821.db2.gz YAYODTBTXXZHFR-UHFFFAOYSA-N 0 0 418.566 6.177 50 30 HKEARN CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820371 569430812 /nfs/dbraw/zinc/43/08/12/569430812.db2.gz SFQNNMDCKTYZLE-UHFFFAOYSA-N 0 0 402.567 5.689 50 30 HKEARN CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820385 569430782 /nfs/dbraw/zinc/43/07/82/569430782.db2.gz PXRQESOABXUIBI-UHFFFAOYSA-N 0 0 406.599 6.337 50 30 HKEARN CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820389 569430798 /nfs/dbraw/zinc/43/07/98/569430798.db2.gz WBQPLVLLFSHODS-UHFFFAOYSA-N 0 0 422.985 6.300 50 30 HKEARN CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820393 526215310 /nfs/dbraw/zinc/21/53/10/526215310.db2.gz LPKFNUAIMKNQAP-UHFFFAOYSA-N 0 0 406.530 5.786 50 30 HKEARN COc1ccccc1CNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820399 569430776 /nfs/dbraw/zinc/43/07/76/569430776.db2.gz LJPPGNPNTTUWST-UHFFFAOYSA-N 0 0 418.566 5.655 50 30 HKEARN CSc1nc(NCCc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820446 569430764 /nfs/dbraw/zinc/43/07/64/569430764.db2.gz YUHATRLMZOCCLS-UHFFFAOYSA-N 0 0 420.557 5.828 50 30 HKEARN CSc1nc(Nc2ccc(N3CCC(C)CC3)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820460 569430785 /nfs/dbraw/zinc/43/07/85/569430785.db2.gz XBFUOWSEQBVMOI-UHFFFAOYSA-N 0 0 415.566 5.717 50 30 HKEARN CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820464 526215171 /nfs/dbraw/zinc/21/51/71/526215171.db2.gz BCZHNHUSVXBQGR-UHFFFAOYSA-N 0 0 408.958 6.432 50 30 HKEARN CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820470 526215062 /nfs/dbraw/zinc/21/50/62/526215062.db2.gz ISYZAVMHNNGNDC-UHFFFAOYSA-N 0 0 408.958 6.432 50 30 HKEARN CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820478 569430767 /nfs/dbraw/zinc/43/07/67/569430767.db2.gz ZKTLIWJLWFNPLD-INIZCTEOSA-N 0 0 402.567 6.208 50 30 HKEARN CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820480 526214944 /nfs/dbraw/zinc/21/49/44/526214944.db2.gz ZKTLIWJLWFNPLD-MRXNPFEDSA-N 0 0 402.567 6.208 50 30 HKEARN CSc1nc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820486 569430751 /nfs/dbraw/zinc/43/07/51/569430751.db2.gz PACXCAWYEBLFCJ-UHFFFAOYSA-N 0 0 421.740 6.441 50 30 HKEARN CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820488 569430741 /nfs/dbraw/zinc/43/07/41/569430741.db2.gz SMTNXUFYEIQNSJ-UHFFFAOYSA-N 0 0 421.740 6.441 50 30 HKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c(OC)c1 ZINC000019820492 569430763 /nfs/dbraw/zinc/43/07/63/569430763.db2.gz QNEGAOCOQDYROQ-UHFFFAOYSA-N 0 0 412.902 5.151 50 30 HKEARN COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000019820494 524872537 /nfs/dbraw/zinc/87/25/37/524872537.db2.gz LSSWLEAURMYRIL-UHFFFAOYSA-N 0 0 412.902 5.151 50 30 HKEARN CSc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820510 569430735 /nfs/dbraw/zinc/43/07/35/569430735.db2.gz SRSFKMUDSPAALC-UHFFFAOYSA-N 0 0 401.322 6.096 50 30 HKEARN CSc1nc(Nc2ccc(F)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820516 569430715 /nfs/dbraw/zinc/43/07/15/569430715.db2.gz XUWYXTGQVGCYTL-UHFFFAOYSA-N 0 0 405.285 5.927 50 30 HKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1Cl ZINC000019820518 524719670 /nfs/dbraw/zinc/71/96/70/524719670.db2.gz JFDRYAJVPMJXGO-UHFFFAOYSA-N 0 0 417.321 5.796 50 30 HKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1OC ZINC000019820520 569430717 /nfs/dbraw/zinc/43/07/17/569430717.db2.gz MSDXBHYWEALJHX-UHFFFAOYSA-N 0 0 412.902 5.151 50 30 HKEARN CSc1nc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820546 526215091 /nfs/dbraw/zinc/21/50/91/526215091.db2.gz JTMGBNKVEOKTIE-UHFFFAOYSA-N 0 0 408.958 6.432 50 30 HKEARN CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820554 569430727 /nfs/dbraw/zinc/43/07/27/569430727.db2.gz XKIWLNUIUQEFCM-UHFFFAOYSA-N 0 0 401.322 5.656 50 30 HKEARN CCN(CC)c1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000019820556 569430731 /nfs/dbraw/zinc/43/07/31/569430731.db2.gz GVJLQSSXRUDHLR-UHFFFAOYSA-N 0 0 423.973 5.980 50 30 HKEARN CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820580 569430745 /nfs/dbraw/zinc/43/07/45/569430745.db2.gz SMCYGVFLJGFXIK-UHFFFAOYSA-N 0 0 421.957 5.734 50 30 HKEARN COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820618 524248325 /nfs/dbraw/zinc/24/83/25/524248325.db2.gz DAPFHIOFFJYKDL-UHFFFAOYSA-N 0 0 417.321 5.796 50 30 HKEARN CSc1nc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820635 569430726 /nfs/dbraw/zinc/43/07/26/569430726.db2.gz PPMCKWXNZPOMER-UHFFFAOYSA-N 0 0 401.322 6.096 50 30 HKEARN CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820637 526214812 /nfs/dbraw/zinc/21/48/12/526214812.db2.gz SWNXBJURVYDVMB-UHFFFAOYSA-N 0 0 401.322 6.096 50 30 HKEARN CSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820655 569430748 /nfs/dbraw/zinc/43/07/48/569430748.db2.gz KJXZCZSWUJZDJL-UHFFFAOYSA-N 0 0 400.429 5.808 50 30 HKEARN CCN(CC)c1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000019820681 569430768 /nfs/dbraw/zinc/43/07/68/569430768.db2.gz CIIUXNXZWYJMRL-UHFFFAOYSA-N 0 0 403.555 5.635 50 30 HKEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000019820693 526207269 /nfs/dbraw/zinc/20/72/69/526207269.db2.gz AUYZBUHJMHWOES-UHFFFAOYSA-N 0 0 414.578 5.505 50 30 HKEARN CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820705 569430795 /nfs/dbraw/zinc/43/07/95/569430795.db2.gz SLBANVMYYSFFOL-UHFFFAOYSA-N 0 0 401.539 5.389 50 30 HKEARN CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820749 569430733 /nfs/dbraw/zinc/43/07/33/569430733.db2.gz UECSPYUSWVDTCC-UHFFFAOYSA-N 0 0 411.328 5.552 50 30 HKEARN CSc1nc(Nc2ccc(Oc3ccccc3)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820763 569430804 /nfs/dbraw/zinc/43/08/04/569430804.db2.gz DOSFQDAJXJMOCC-UHFFFAOYSA-N 0 0 410.502 6.273 50 30 HKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(F)cc1 ZINC000019823158 569018508 /nfs/dbraw/zinc/01/85/08/569018508.db2.gz BANSLYMJFPOBCG-UHFFFAOYSA-N 0 0 424.545 5.344 50 30 HKEARN Clc1ccc(CN2CCN(/N=C/c3c4ccccc4cc4ccccc43)CC2)cc1 ZINC000019826045 558291054 /nfs/dbraw/zinc/29/10/54/558291054.db2.gz HDVQHZQCZZKWRE-MTDXEUNCSA-N 0 0 413.952 5.798 50 30 HKEARN Clc1ccc(CN2CCN(/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000019826049 558291030 /nfs/dbraw/zinc/29/10/30/558291030.db2.gz NMPXOIJGWMGCCV-OVVQPSECSA-N 0 0 419.956 5.071 50 30 HKEARN Cc1ccccc1/N=C1\S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1C ZINC000019827753 558291176 /nfs/dbraw/zinc/29/11/76/558291176.db2.gz SLVFKLLFINCEEG-RQVRYXIVSA-N 0 0 400.503 6.261 50 30 HKEARN Cc1ccsc1/C=C1\S/C(=N\c2ccccc2C)N(c2ccccc2C)C1=O ZINC000019827756 525816838 /nfs/dbraw/zinc/81/68/38/525816838.db2.gz GXQUWDGMEVXGFV-PZUCIDFCSA-N 0 0 404.560 6.482 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019827792 558291235 /nfs/dbraw/zinc/29/12/35/558291235.db2.gz KILVFEYTOJAQFA-HSZRJFAPSA-N 0 0 421.924 5.094 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019827796 558291203 /nfs/dbraw/zinc/29/12/03/558291203.db2.gz KILVFEYTOJAQFA-QHCPKHFHSA-N 0 0 421.924 5.094 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019827800 520823984 /nfs/dbraw/zinc/82/39/84/520823984.db2.gz CUIBXDCVWBIKMR-HSZRJFAPSA-N 0 0 421.924 5.094 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019827803 558291188 /nfs/dbraw/zinc/29/11/88/558291188.db2.gz CUIBXDCVWBIKMR-QHCPKHFHSA-N 0 0 421.924 5.094 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019827810 520823974 /nfs/dbraw/zinc/82/39/74/520823974.db2.gz GBBVCPILLPQFFX-HSZRJFAPSA-N 0 0 421.924 5.094 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019827813 558291289 /nfs/dbraw/zinc/29/12/89/558291289.db2.gz GBBVCPILLPQFFX-QHCPKHFHSA-N 0 0 421.924 5.094 50 30 HKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccccc1CC ZINC000019827974 521804378 /nfs/dbraw/zinc/80/43/78/521804378.db2.gz RPYYSOZAOIITOP-WMOWQXFYSA-N 0 0 402.519 6.213 50 30 HKEARN CCCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000019831733 558291674 /nfs/dbraw/zinc/29/16/74/558291674.db2.gz MHCYRRKTMDEKHO-ILBGXUMGSA-N 0 0 411.545 6.071 50 30 HKEARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000019832235 558291983 /nfs/dbraw/zinc/29/19/83/558291983.db2.gz ODAYAWQNTRHJKC-XRKKSIEBSA-N 0 0 419.525 6.244 50 30 HKEARN Cc1cccc(/N=C2\S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000019832298 524155312 /nfs/dbraw/zinc/15/53/12/524155312.db2.gz KFQKPJRUWJORNB-BTRCZGFISA-N 0 0 416.502 5.523 50 30 HKEARN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019832372 520889120 /nfs/dbraw/zinc/88/91/20/520889120.db2.gz OANZFXWEZSNEOS-UHFFFAOYSA-N 0 0 420.597 5.506 50 30 HKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1OC ZINC000019832466 569430958 /nfs/dbraw/zinc/43/09/58/569430958.db2.gz NJVZTZXKIWZURG-UHFFFAOYSA-N 0 0 400.265 5.193 50 30 HKEARN CCOc1cc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)ccc1O ZINC000019832542 569430880 /nfs/dbraw/zinc/43/08/80/569430880.db2.gz HRLXRVHPTIANBF-UHFFFAOYSA-N 0 0 400.265 5.281 50 30 HKEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019833926 558292232 /nfs/dbraw/zinc/29/22/32/558292232.db2.gz HBDNRZQPLWTKBH-NHFJDJAPSA-N 0 0 403.957 5.549 50 30 HKEARN CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(C)cc4)CC3)ccc21 ZINC000019833934 558292310 /nfs/dbraw/zinc/29/23/10/558292310.db2.gz FJBNRFIPYBFRNY-TURZUDJPSA-N 0 0 410.565 5.275 50 30 HKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1 ZINC000019840985 569430917 /nfs/dbraw/zinc/43/09/17/569430917.db2.gz HYXXESYLAZVOAN-UHFFFAOYSA-N 0 0 419.912 5.322 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(Br)cc3)o1)CCCC2 ZINC000019840990 569430852 /nfs/dbraw/zinc/43/08/52/569430852.db2.gz IAEJZXMTLJRJFE-UHFFFAOYSA-N 0 0 424.298 5.016 50 30 HKEARN Cc1cc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCCC4)o2)ccc1Cl ZINC000019841044 525374704 /nfs/dbraw/zinc/37/47/04/525374704.db2.gz YNAAXFGAXIJPTI-UHFFFAOYSA-N 0 0 421.928 5.995 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3F)o1)CCCCCC2 ZINC000019841077 569430872 /nfs/dbraw/zinc/43/08/72/569430872.db2.gz UAHMLJPXPAEKMP-UHFFFAOYSA-N 0 0 409.436 5.312 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccccc3Br)o1)CCCC2 ZINC000019841086 526528028 /nfs/dbraw/zinc/52/80/28/526528028.db2.gz PNUYDRJOZSIDSH-UHFFFAOYSA-N 0 0 424.298 5.016 50 30 HKEARN Cc1cc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCC4)o2)ccc1Cl ZINC000019841090 569430873 /nfs/dbraw/zinc/43/08/73/569430873.db2.gz DHQCHPZXXOWQTI-UHFFFAOYSA-N 0 0 407.901 5.605 50 30 HKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccccc1Cl ZINC000019841182 569430940 /nfs/dbraw/zinc/43/09/40/569430940.db2.gz KDALOSSWWLVFBM-UHFFFAOYSA-N 0 0 419.912 5.322 50 30 HKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(C)cc1 ZINC000019841243 523074972 /nfs/dbraw/zinc/07/49/72/523074972.db2.gz AJLXIJPVAJFTQV-UHFFFAOYSA-N 0 0 413.521 5.367 50 30 HKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1 ZINC000019841538 569430875 /nfs/dbraw/zinc/43/08/75/569430875.db2.gz BGOIWCIACQPEOX-UHFFFAOYSA-N 0 0 409.942 5.684 50 30 HKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1 ZINC000019841566 526861552 /nfs/dbraw/zinc/86/15/52/526861552.db2.gz OWMZSIJQASYJKG-UHFFFAOYSA-N 0 0 423.969 6.074 50 30 HKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1C ZINC000019841759 569430969 /nfs/dbraw/zinc/43/09/69/569430969.db2.gz WHWCCEPOZXXTDR-UHFFFAOYSA-N 0 0 423.969 5.992 50 30 HKEARN Cc1ccc2c(c1)/C(=C1\S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 ZINC000019842957 526136819 /nfs/dbraw/zinc/13/68/19/526136819.db2.gz XCNLIYASCOAKKH-IEMXZINYSA-N 0 0 411.486 5.126 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 ZINC000019847867 558294643 /nfs/dbraw/zinc/29/46/43/558294643.db2.gz QXTJFNRAFHZODL-LHSJRXKWSA-N 0 0 413.564 5.043 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 ZINC000019847869 558294560 /nfs/dbraw/zinc/29/45/60/558294560.db2.gz QXTJFNRAFHZODL-QKKBWIMNSA-N 0 0 413.564 5.043 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 ZINC000019847871 558294583 /nfs/dbraw/zinc/29/45/83/558294583.db2.gz QXTJFNRAFHZODL-SPLOXXLWSA-N 0 0 413.564 5.043 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 ZINC000019847873 558294579 /nfs/dbraw/zinc/29/45/79/558294579.db2.gz QXTJFNRAFHZODL-SZNDQCEHSA-N 0 0 413.564 5.043 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000019847894 520815145 /nfs/dbraw/zinc/81/51/45/520815145.db2.gz QNQIGDUCMVQYCZ-LHSJRXKWSA-N 0 0 413.564 5.123 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000019847896 520816824 /nfs/dbraw/zinc/81/68/24/520816824.db2.gz QNQIGDUCMVQYCZ-QKKBWIMNSA-N 0 0 413.564 5.123 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000019847899 520816851 /nfs/dbraw/zinc/81/68/51/520816851.db2.gz QNQIGDUCMVQYCZ-SZNDQCEHSA-N 0 0 413.564 5.123 50 30 HKEARN CN(Cc1ccccc1)CN1c2ccccc2/C(=N/c2cccc(C(F)(F)F)c2)C1=O ZINC000019848310 558294837 /nfs/dbraw/zinc/29/48/37/558294837.db2.gz HRYOPRHJQMODSE-SLMZUGIISA-N 0 0 423.438 5.262 50 30 HKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848665 558294930 /nfs/dbraw/zinc/29/49/30/558294930.db2.gz XWFFSUIVXCBSFT-DEOSSOPVSA-N 0 0 415.533 5.077 50 30 HKEARN Fc1cccc(Cl)c1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019848782 558295095 /nfs/dbraw/zinc/29/50/95/558295095.db2.gz DKYRTLQDJYXKDL-OVVQPSECSA-N 0 0 407.920 5.220 50 30 HKEARN Clc1ccc(CN2CCN(/N=C\c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000019849075 569431046 /nfs/dbraw/zinc/43/10/46/569431046.db2.gz QXABQBGMUQJDEH-IMRQLAEWSA-N 0 0 419.956 5.071 50 30 HKEARN Clc1ccc(CN2CCN(/N=C/c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019849086 558295138 /nfs/dbraw/zinc/29/51/38/558295138.db2.gz HWMKXMMJOSSXEU-NLRVBDNBSA-N 0 0 405.929 5.284 50 30 HKEARN Cc1ccc(CN2CCN(/N=C/c3c4ccccc4cc4ccccc43)CC2)c(C)c1 ZINC000019850391 558295270 /nfs/dbraw/zinc/29/52/70/558295270.db2.gz ZKNBWFMWALNMPJ-VUTHCHCSSA-N 0 0 407.561 5.762 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2c(c1)CCC2 ZINC000019851059 518465731 /nfs/dbraw/zinc/46/57/31/518465731.db2.gz GDFYKUZBQUDVOJ-YDZHTSKRSA-N 0 0 412.356 5.897 50 30 HKEARN N#Cc1c(N)nc(SCc2ccccc2C(F)(F)F)c(C#N)c1-c1cccs1 ZINC000019851692 569431048 /nfs/dbraw/zinc/43/10/48/569431048.db2.gz UCDSINRDQXTMCL-UHFFFAOYSA-N 0 0 416.453 5.447 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019852078 520811833 /nfs/dbraw/zinc/81/18/33/520811833.db2.gz AMLPNEPQGRKXNI-JOCHJYFZSA-N 0 0 422.475 5.208 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019852081 558295956 /nfs/dbraw/zinc/29/59/56/558295956.db2.gz AMLPNEPQGRKXNI-QFIPXVFZSA-N 0 0 422.475 5.208 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019852485 569007999 /nfs/dbraw/zinc/00/79/99/569007999.db2.gz SHHCURQDZYVNQD-HXUWFJFHSA-N 0 0 410.514 5.130 50 30 HKEARN COc1ccc(-c2cc(C(F)F)c(C#N)c(SCc3ccc(Cl)nc3)n2)cc1 ZINC000019853598 569431055 /nfs/dbraw/zinc/43/10/55/569431055.db2.gz CRGPAJRMCDCLQG-UHFFFAOYSA-N 0 0 417.868 5.907 50 30 HKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(F)cc1 ZINC000019857472 524209947 /nfs/dbraw/zinc/20/99/47/524209947.db2.gz GCUPQDTXBJPKDN-UHFFFAOYSA-N 0 0 415.512 5.806 50 30 HKEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccccc1Cl ZINC000019857498 569431031 /nfs/dbraw/zinc/43/10/31/569431031.db2.gz IKOWAEJVTJAXOG-UHFFFAOYSA-N 0 0 423.969 5.938 50 30 HKEARN CCOc1ccc(/C=C2\CN(C(C)C)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000019860569 558297642 /nfs/dbraw/zinc/29/76/42/558297642.db2.gz AFZACBCUIPTJIS-XRBXDRSNSA-N 0 0 405.538 5.244 50 30 HKEARN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1Cl ZINC000019861277 558298068 /nfs/dbraw/zinc/29/80/68/558298068.db2.gz GGCBMLNDDRSMJS-OVVQPSECSA-N 0 0 401.941 5.452 50 30 HKEARN C=CC/N=c1/sc(C)c(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1 ZINC000019862248 569357296 /nfs/dbraw/zinc/35/72/96/569357296.db2.gz IZIJTNNDJHELAP-LSDHQDQOSA-N 0 0 415.356 5.372 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867009 558298866 /nfs/dbraw/zinc/29/88/66/558298866.db2.gz NMZPXMJFZHWNPU-JOCHJYFZSA-N 0 0 407.535 5.096 50 30 HKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019867012 558298802 /nfs/dbraw/zinc/29/88/02/558298802.db2.gz NMZPXMJFZHWNPU-QFIPXVFZSA-N 0 0 407.535 5.096 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000019867269 558299132 /nfs/dbraw/zinc/29/91/32/558299132.db2.gz NLBZOSFMXFRCDD-GAJHUEQPSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000019867273 558299126 /nfs/dbraw/zinc/29/91/26/558299126.db2.gz NLBZOSFMXFRCDD-SBUREZEXSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000019867276 558299167 /nfs/dbraw/zinc/29/91/67/558299167.db2.gz NLBZOSFMXFRCDD-UZUQRXQVSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000019867279 558299082 /nfs/dbraw/zinc/29/90/82/558299082.db2.gz NLBZOSFMXFRCDD-HXOBKFHXSA-N 0 0 421.924 5.265 50 30 HKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019867318 520814401 /nfs/dbraw/zinc/81/44/01/520814401.db2.gz 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/nfs/dbraw/zinc/58/76/08/568587608.db2.gz CXAIDWGNAYRJEM-UHFFFAOYSA-N 0 0 423.460 5.190 50 30 HKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000020074511 568587636 /nfs/dbraw/zinc/58/76/36/568587636.db2.gz TYTIRWWSTUWMNE-AWNIVKPZSA-N 0 0 424.269 5.737 50 30 HKEARN CC(C)c1ccc(-c2c3c(N)c(C(=O)c4ccccc4)sc3nc(N)c2C#N)cc1 ZINC000020081396 569389626 /nfs/dbraw/zinc/38/96/26/569389626.db2.gz IGWVTSZHQKFZBK-UHFFFAOYSA-N 0 0 412.518 5.354 50 30 HKEARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000020092864 569404253 /nfs/dbraw/zinc/40/42/53/569404253.db2.gz CHYHAOFNQWXNKU-GOSISDBHSA-N 0 0 402.951 5.236 50 30 HKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CCCC1=N2 ZINC000020092866 569404356 /nfs/dbraw/zinc/40/43/56/569404356.db2.gz CHYHAOFNQWXNKU-SFHVURJKSA-N 0 0 402.951 5.236 50 30 HKEARN CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020110036 558335169 /nfs/dbraw/zinc/33/51/69/558335169.db2.gz BYCRVOIWVPVLKY-UHFFFAOYSA-N 0 0 407.554 5.449 50 30 HKEARN CCCOc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020110037 558335336 /nfs/dbraw/zinc/33/53/36/558335336.db2.gz KHTJEYFMCJYMFN-UHFFFAOYSA-N 0 0 407.554 5.449 50 30 HKEARN O=C1/C(=C/c2ccccc2F)CN(Cc2ccccc2)C/C1=C\c1ccccc1F ZINC000020115284 568589431 /nfs/dbraw/zinc/58/94/31/568589431.db2.gz NBLWDYKFYQMYCS-HOFJZWJUSA-N 0 0 401.456 5.517 50 30 HKEARN CCOc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000020115343 520849969 /nfs/dbraw/zinc/84/99/69/520849969.db2.gz AFZACBCUIPTJIS-QAOSGDJLSA-N 0 0 405.538 5.244 50 30 HKEARN Cc1ccsc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2sccc2C)C1=O ZINC000020115361 568589452 /nfs/dbraw/zinc/58/94/52/568589452.db2.gz YLIRIPLOMDXFOF-ZIOPAAQOSA-N 0 0 405.588 5.978 50 30 HKEARN CSc1ccc(/C=C2/CN(C(C)C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000020115404 568589520 /nfs/dbraw/zinc/58/95/20/568589520.db2.gz GLKXYZIVFBFNNJ-NMGXZBPKSA-N 0 0 409.620 5.891 50 30 HKEARN O=C1/C(=C/c2ccccc2Br)CC/C1=C\c1ccccc1Br ZINC000020115441 558336465 /nfs/dbraw/zinc/33/64/65/558336465.db2.gz VRZWMEJYNBXWDD-JOBJLJCHSA-N 0 0 418.128 6.042 50 30 HKEARN O=C1/C(=C/c2ccc(F)c(F)c2)CC(c2ccccc2)C/C1=C\c1ccc(F)c(F)c1 ZINC000020115607 568589491 /nfs/dbraw/zinc/58/94/91/568589491.db2.gz HKDGRTMQSLZOKM-CLVAPQHMSA-N 0 0 422.421 6.857 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCc3cc4c(cc3Cl)OCO4)n2)cc1 ZINC000020120537 523129894 /nfs/dbraw/zinc/12/98/94/523129894.db2.gz QJYXTKSVTGJPGM-UHFFFAOYSA-N 0 0 410.882 5.303 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1cn2ccccc2n1 ZINC000020120560 568589668 /nfs/dbraw/zinc/58/96/68/568589668.db2.gz VQQWQYHMCWIXOQ-UHFFFAOYSA-N 0 0 418.525 6.227 50 30 HKEARN COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)c2C#N)cc1 ZINC000020120567 568589709 /nfs/dbraw/zinc/58/97/09/568589709.db2.gz UYJLJYFRFJBHCQ-UHFFFAOYSA-N 0 0 418.396 5.311 50 30 HKEARN CCc1ccc([C@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CCC3)cc1 ZINC000020134865 568589868 /nfs/dbraw/zinc/58/98/68/568589868.db2.gz BBXKPSNDZXAGDA-HXUWFJFHSA-N 0 0 414.465 5.112 50 30 HKEARN CCc1ccc([C@@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CCC3)cc1 ZINC000020134868 568589944 /nfs/dbraw/zinc/58/99/44/568589944.db2.gz BBXKPSNDZXAGDA-FQEVSTJZSA-N 0 0 414.465 5.112 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc([N+](=O)[O-])cc3)c1[C@@H]2c1cccs1 ZINC000020134871 568589842 /nfs/dbraw/zinc/58/98/42/568589842.db2.gz VBUMRGFHBCPVID-GOSISDBHSA-N 0 0 420.494 5.247 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc([N+](=O)[O-])cc3)c1[C@H]2c1cccs1 ZINC000020134875 568589895 /nfs/dbraw/zinc/58/98/95/568589895.db2.gz VBUMRGFHBCPVID-SFHVURJKSA-N 0 0 420.494 5.247 50 30 HKEARN Fc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C(F)(F)F)cc3C3CC3)n2)cc1 ZINC000020137891 526314390 /nfs/dbraw/zinc/31/43/90/526314390.db2.gz MEZZDYSAYAKXLC-UHFFFAOYSA-N 0 0 416.300 5.383 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000020146217 520820186 /nfs/dbraw/zinc/82/01/86/520820186.db2.gz VBHFWOSDYNFWPG-JOCHJYFZSA-N 0 0 413.583 5.618 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000020146219 558340051 /nfs/dbraw/zinc/34/00/51/558340051.db2.gz VBHFWOSDYNFWPG-QFIPXVFZSA-N 0 0 413.583 5.618 50 30 HKEARN N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000020148981 526777893 /nfs/dbraw/zinc/77/78/93/526777893.db2.gz NMEUKWOOQOHUNA-UHFFFAOYSA-N 0 0 404.836 5.045 50 30 in-vitro HKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CS/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000020151898 526940483 /nfs/dbraw/zinc/94/04/83/526940483.db2.gz BYBSJTVCRMCENO-CCJRVLTRSA-N 0 0 414.370 6.465 50 30 HKEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000020188858 558344368 /nfs/dbraw/zinc/34/43/68/558344368.db2.gz HBDNRZQPLWTKBH-OOAXWGSJSA-N 0 0 403.957 5.549 50 30 HKEARN CC(=O)c1c(C)nc2sc3c(nc(N)c(C#N)c3C)c2c1-c1ccccc1Cl ZINC000020189087 568593207 /nfs/dbraw/zinc/59/32/07/568593207.db2.gz SGSAYLDFNCEGRG-UHFFFAOYSA-N 0 0 406.898 5.438 50 30 HKEARN Cc1ccc(CN2CCN(/N=C/c3ccc(OCc4ccccc4)cc3)CC2)c(C)c1 ZINC000020189291 558344282 /nfs/dbraw/zinc/34/42/82/558344282.db2.gz SIEITZPEILOUPK-TURZUDJPSA-N 0 0 413.565 5.034 50 30 HKEARN Clc1ccc(CO/N=C(\CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1 ZINC000020218512 568594771 /nfs/dbraw/zinc/59/47/71/568594771.db2.gz ABKMXINBGZUFEM-IMVLJIQESA-N 0 0 419.956 5.083 50 30 HKEARN FC(F)(F)c1cnc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000020218513 132470160 /nfs/dbraw/zinc/47/01/60/132470160.db2.gz MHYLXERWDUMEGF-UHFFFAOYSA-N 0 0 418.246 5.580 50 30 HKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N3CCCC3)n2)cc1 ZINC000020218570 568594643 /nfs/dbraw/zinc/59/46/43/568594643.db2.gz MFUVBRNNSXJLEV-UHFFFAOYSA-N 0 0 408.332 6.503 50 30 HKEARN O=C1c2ccccc2C(=O)C(/C=C/N(Cc2ccccc2)Cc2ccccc2)=C1Cl ZINC000020219239 568594970 /nfs/dbraw/zinc/59/49/70/568594970.db2.gz LARDAMRPWFEAQC-FOCLMDBBSA-N 0 0 413.904 5.775 50 30 HKEARN COc1cccc(CNC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000020274307 558353379 /nfs/dbraw/zinc/35/33/79/558353379.db2.gz RFDKFEBJTJHTSL-UHFFFAOYSA-N 0 0 409.407 5.568 50 30 HKEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccco1 ZINC000020357508 558357818 /nfs/dbraw/zinc/35/78/18/558357818.db2.gz JNRSXWSLYTWLKS-UHFFFAOYSA-N 0 0 408.342 5.020 50 30 HKEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccccc1 ZINC000020358153 558357777 /nfs/dbraw/zinc/35/77/77/558357777.db2.gz SCMXCEPZVFLKSB-UHFFFAOYSA-N 0 0 418.381 5.427 50 30 HKEARN C=CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c21)CCN(C)C3 ZINC000020432200 569018825 /nfs/dbraw/zinc/01/88/25/569018825.db2.gz FMDKARSYEWMFMR-UHFFFAOYSA-N 0 0 417.003 5.223 50 30 HKEARN COc1ccc(-c2cc(NC(=Nc3ccc(F)c(Cl)c3)SC)[nH]n2)cc1OC ZINC000020440099 568607392 /nfs/dbraw/zinc/60/73/92/568607392.db2.gz BOAGOZYYGSKBJY-UHFFFAOYSA-N 0 0 420.897 5.349 50 30 HKEARN COc1ccc(-c2cc(NC(=Nc3ccc(C(C)C)cc3)SC)[nH]n2)cc1OC ZINC000020440113 568607358 /nfs/dbraw/zinc/60/73/58/568607358.db2.gz CICIEADPMMWVBY-UHFFFAOYSA-N 0 0 410.543 5.680 50 30 HKEARN CCOc1ccc(-c2cc(NC(=Nc3ccc(F)c(Cl)c3)SC)[nH]n2)cc1 ZINC000020440129 568607411 /nfs/dbraw/zinc/60/74/11/568607411.db2.gz IBVQNEYYICYHFA-UHFFFAOYSA-N 0 0 404.898 5.731 50 30 HKEARN COc1ccc(NC(=Nc2n[nH]c(C)c2-c2ccccc2F)SC)cc1Cl ZINC000020440186 523463349 /nfs/dbraw/zinc/46/33/49/523463349.db2.gz XIFNZMPYZQYWGJ-UHFFFAOYSA-N 0 0 404.898 5.649 50 30 HKEARN CCOc1ccc(-c2c(C)[nH]nc2N=C(Nc2ccccc2)SC)cc1OCC ZINC000020440190 568607400 /nfs/dbraw/zinc/60/74/00/568607400.db2.gz IEKVJKFBGAPYAC-UHFFFAOYSA-N 0 0 410.543 5.645 50 30 HKEARN CCOc1ccc(-c2c(C)[nH]nc2N=C(Nc2ccccc2C)SC)cc1OCC ZINC000020440200 568607402 /nfs/dbraw/zinc/60/74/02/568607402.db2.gz IQUNGGAAEYVELI-UHFFFAOYSA-N 0 0 424.570 5.954 50 30 HKEARN COc1cccc(-c2cc(NC(=Nc3ccc(OC)c(Cl)c3)SC)[nH]n2)c1 ZINC000020440296 568607419 /nfs/dbraw/zinc/60/74/19/568607419.db2.gz UYVJHRSWKIAQMR-UHFFFAOYSA-N 0 0 402.907 5.210 50 30 HKEARN COc1ccc(-c2cc(NC(=Nc3ccc(F)c(Cl)c3)SC)[nH]n2)c(OC)c1 ZINC000020440319 568607350 /nfs/dbraw/zinc/60/73/50/568607350.db2.gz WSVMOZWWKMSLSZ-UHFFFAOYSA-N 0 0 420.897 5.349 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)cc1 ZINC000020458352 558371147 /nfs/dbraw/zinc/37/11/47/558371147.db2.gz AFHBQPKDEDQKJJ-HOFJZWJUSA-N 0 0 401.456 5.517 50 30 HKEARN O=C1c2ccccc2C(N2CCN(c3cccc(Cl)c3)CC2)=C1c1ccccc1 ZINC000020509799 558382025 /nfs/dbraw/zinc/38/20/25/558382025.db2.gz JSSZOELNUHVHCU-UHFFFAOYSA-N 0 0 400.909 5.227 50 30 HKEARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccccc1Cl ZINC000020522757 558383721 /nfs/dbraw/zinc/38/37/21/558383721.db2.gz LHGBANMAHADPEM-UHFFFAOYSA-N 0 0 404.853 5.695 50 30 HKEARN O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCCC1 ZINC000020530773 558384282 /nfs/dbraw/zinc/38/42/82/558384282.db2.gz SBGDSUJTRVZRLH-QOMWVZHYSA-N 0 0 401.432 5.006 50 30 HKEARN O=C(NC1=N[C@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccc(Oc2ccccc2)cc1 ZINC000020530775 568626916 /nfs/dbraw/zinc/62/69/16/568626916.db2.gz VKZOOSPKLDDIFC-FQEVSTJZSA-N 0 0 419.868 5.054 50 30 HKEARN O=C(NC1=N[C@@H](c2ccc(Cl)cc2)CC(=O)N1)c1ccc(Oc2ccccc2)cc1 ZINC000020530777 568626830 /nfs/dbraw/zinc/62/68/30/568626830.db2.gz VKZOOSPKLDDIFC-HXUWFJFHSA-N 0 0 419.868 5.054 50 30 HKEARN N#Cc1cccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3cccnc32)c1 ZINC000020532442 568628062 /nfs/dbraw/zinc/62/80/62/568628062.db2.gz JVBORAXDYVCAAH-UHFFFAOYSA-N 0 0 424.451 5.662 50 30 HKEARN O=C(COc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000020533772 558385290 /nfs/dbraw/zinc/38/52/90/558385290.db2.gz ACACORWOBKHXTD-UHFFFAOYSA-N 0 0 412.873 5.468 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc([N+](=O)[O-])cc3)c1[C@@H]2c1ccccc1 ZINC000020556884 520260991 /nfs/dbraw/zinc/26/09/91/520260991.db2.gz OWJMLVGHSDXHQZ-LJQANCHMSA-N 0 0 414.465 5.186 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccc([N+](=O)[O-])cc3)c1[C@H]2c1ccccc1 ZINC000020556886 520259409 /nfs/dbraw/zinc/25/94/09/520259409.db2.gz OWJMLVGHSDXHQZ-IBGZPJMESA-N 0 0 414.465 5.186 50 30 HKEARN CCCCCCOc1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000020582429 520103124 /nfs/dbraw/zinc/10/31/24/520103124.db2.gz FZLBPZNEDLQKSU-HZHRSRAPSA-N 0 0 424.526 6.123 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3cccc(C(F)(F)F)c3)o1)CCCC2 ZINC000020601949 526528489 /nfs/dbraw/zinc/52/84/89/526528489.db2.gz VZOKKTJGXJHTQY-UHFFFAOYSA-N 0 0 413.399 5.272 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3cccc(Br)c3)o1)CCCC2 ZINC000020601954 526528162 /nfs/dbraw/zinc/52/81/62/526528162.db2.gz SKHPGLDOKOLQIT-UHFFFAOYSA-N 0 0 424.298 5.016 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3Cl)o1)CCCCC2 ZINC000020601958 526528003 /nfs/dbraw/zinc/52/80/03/526528003.db2.gz LEADAWFKBYRDHZ-UHFFFAOYSA-N 0 0 411.864 5.436 50 30 HKEARN COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCCC4)o2)cc1 ZINC000020601968 524974409 /nfs/dbraw/zinc/97/44/09/524974409.db2.gz LUPKRPRXBJIPKZ-UHFFFAOYSA-N 0 0 403.482 5.042 50 30 HKEARN CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000020602269 569357648 /nfs/dbraw/zinc/35/76/48/569357648.db2.gz PTWZGVXKEQFRBH-SKPQPXDQSA-N 0 0 415.581 5.789 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1Cl ZINC000020602275 525351497 /nfs/dbraw/zinc/35/14/97/525351497.db2.gz YNVCJSGLQPABDN-ZEYMQZDDSA-N 0 0 406.957 6.377 50 30 HKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1 ZINC000020602299 524208960 /nfs/dbraw/zinc/20/89/60/524208960.db2.gz VXPCIOJGXFGSRQ-UHFFFAOYSA-N 0 0 401.485 5.416 50 30 HKEARN C=CCn1c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604630 519270937 /nfs/dbraw/zinc/27/09/37/519270937.db2.gz OTIURABMRLAEGA-UHFFFAOYSA-N 0 0 403.838 5.041 50 30 HKEARN C=CCn1c2nc(-c3ccc(Br)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604642 519268783 /nfs/dbraw/zinc/26/87/83/519268783.db2.gz ZUWOSSPAJLIBNW-UHFFFAOYSA-N 0 0 424.270 5.007 50 30 HKEARN C=CCn1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605207 519272411 /nfs/dbraw/zinc/27/24/11/519272411.db2.gz DQFLZWLJSTTZAZ-UHFFFAOYSA-N 0 0 421.488 5.127 50 30 HKEARN C=CCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605513 519270351 /nfs/dbraw/zinc/27/03/51/519270351.db2.gz LVAUMBNAEVCSTG-UHFFFAOYSA-N 0 0 414.264 5.551 50 30 HKEARN CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1 ZINC000020606195 520923689 /nfs/dbraw/zinc/92/36/89/520923689.db2.gz DDSSWXLMGSPAIK-QHCPKHFHSA-N 0 0 420.553 5.076 50 30 HKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1 ZINC000020606196 520921923 /nfs/dbraw/zinc/92/19/23/520921923.db2.gz DDSSWXLMGSPAIK-HSZRJFAPSA-N 0 0 420.553 5.076 50 30 HKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000020606204 518835889 /nfs/dbraw/zinc/83/58/89/518835889.db2.gz IVCAUHYTHSXMBI-GOSISDBHSA-N 0 0 402.277 5.066 50 30 HKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020606206 518834985 /nfs/dbraw/zinc/83/49/85/518834985.db2.gz IVCAUHYTHSXMBI-SFHVURJKSA-N 0 0 402.277 5.066 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606207 526019915 /nfs/dbraw/zinc/01/99/15/526019915.db2.gz DSWSUHDLSRSTSZ-GOSISDBHSA-N 0 0 402.277 5.043 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606208 526018633 /nfs/dbraw/zinc/01/86/33/526018633.db2.gz DSWSUHDLSRSTSZ-SFHVURJKSA-N 0 0 402.277 5.043 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606211 526021248 /nfs/dbraw/zinc/02/12/48/526021248.db2.gz QJYHRWVQPQSLKI-IBGZPJMESA-N 0 0 418.320 5.536 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606212 526022649 /nfs/dbraw/zinc/02/26/49/526022649.db2.gz QJYHRWVQPQSLKI-LJQANCHMSA-N 0 0 418.320 5.536 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000020607803 525533538 /nfs/dbraw/zinc/53/35/38/525533538.db2.gz LYWNEJOPIMJYIT-IMABZSNASA-N 0 0 414.589 6.937 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000020607807 525533504 /nfs/dbraw/zinc/53/35/04/525533504.db2.gz LYWNEJOPIMJYIT-YXRNEHCBSA-N 0 0 414.589 6.937 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000020607811 525533698 /nfs/dbraw/zinc/53/36/98/525533698.db2.gz HEISBLGPHCGBTI-SXBZWEGTSA-N 0 0 406.953 6.467 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000020607815 525533250 /nfs/dbraw/zinc/53/32/50/525533250.db2.gz HEISBLGPHCGBTI-ZFQUPCFGSA-N 0 0 406.953 6.467 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000020607922 523307312 /nfs/dbraw/zinc/30/73/12/523307312.db2.gz IATLNWYXDOFXTO-HXEVPXERSA-N 0 0 404.554 5.339 50 30 HKEARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000020607964 568636421 /nfs/dbraw/zinc/63/64/21/568636421.db2.gz WSWFGERNAFUKSC-IBGZPJMESA-N 0 0 408.611 6.465 50 30 HKEARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000020607966 568636579 /nfs/dbraw/zinc/63/65/79/568636579.db2.gz WSWFGERNAFUKSC-LJQANCHMSA-N 0 0 408.611 6.465 50 30 HKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@@H]1C)O2 ZINC000020612016 524113943 /nfs/dbraw/zinc/11/39/43/524113943.db2.gz VLNUFZKTWCXVTO-HGQBTHLCSA-N 0 0 417.505 5.090 50 30 biogenic HKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000020612018 525063841 /nfs/dbraw/zinc/06/38/41/525063841.db2.gz VLNUFZKTWCXVTO-GZSFAVFVSA-N 0 0 417.505 5.090 50 30 biogenic HKEARN O=C1Nc2ccc(Br)cc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000020615159 527088748 /nfs/dbraw/zinc/08/87/48/527088748.db2.gz AIHYTWULMKXPJX-UHFFFAOYSA-N 0 0 419.493 5.178 50 30 HKEARN Cc1cccc(NN=C2c3ccccc3N(Cc3ccc(Br)cc3)C2=O)c1 ZINC000020615742 524530082 /nfs/dbraw/zinc/53/00/82/524530082.db2.gz BLTKTCGMODOPPX-DAFNUICNSA-N 0 0 420.310 5.121 50 30 HKEARN N#Cc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020617701 568636554 /nfs/dbraw/zinc/63/65/54/568636554.db2.gz GIMIAKWPUUVGDT-UHFFFAOYSA-N 0 0 412.396 5.230 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000020617922 521794380 /nfs/dbraw/zinc/79/43/80/521794380.db2.gz HTCLDADNPRRPPU-UFFVCSGVSA-N 0 0 404.923 5.023 50 30 HKEARN S=C1N=NC(c2cccs2)N1N=Cc1ccc(COc2ccc(Cl)cc2)o1 ZINC000020617951 526390208 /nfs/dbraw/zinc/39/02/08/526390208.db2.gz YQPAOHUMVOVOKB-KEBDBYFISA-N 0 0 416.915 5.003 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000020617982 521794276 /nfs/dbraw/zinc/79/42/76/521794276.db2.gz WXZHJRUFWPHLQR-AWQFTUOYSA-N 0 0 411.314 5.060 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000020617992 521795186 /nfs/dbraw/zinc/79/51/86/521795186.db2.gz KZBWQMFTHKJJCT-AWQFTUOYSA-N 0 0 411.314 5.060 50 30 HKEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020624602 524229125 /nfs/dbraw/zinc/22/91/25/524229125.db2.gz KPCIPRRONPCYRX-CFFVULROSA-N 0 0 401.865 5.033 50 30 HKEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020624605 524093699 /nfs/dbraw/zinc/09/36/99/524093699.db2.gz KPCIPRRONPCYRX-NLLJVSSUSA-N 0 0 401.865 5.033 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020624862 521647582 /nfs/dbraw/zinc/64/75/82/521647582.db2.gz OGBRBTLZIJOZHD-JAIQZWGSSA-N 0 0 420.336 5.937 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1OCC)O2 ZINC000020624956 520496313 /nfs/dbraw/zinc/49/63/13/520496313.db2.gz ISWUEGRQTUNYBC-ULJHMMPZSA-N 0 0 423.553 5.809 50 30 HKEARN Cc1cc([O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020625204 525320887 /nfs/dbraw/zinc/32/08/87/525320887.db2.gz YUNMJVNLVISFQA-WYIUDDKKSA-N 0 0 417.505 5.541 50 30 HKEARN Cc1cc([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020625210 525319272 /nfs/dbraw/zinc/31/92/72/525319272.db2.gz YUNMJVNLVISFQA-WSQWEHKVSA-N 0 0 417.505 5.541 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/C=C/c1ccccc1OC)O2 ZINC000020625316 521647768 /nfs/dbraw/zinc/64/77/68/521647768.db2.gz BUZNTOQKTMSDAY-WAJIAWJWSA-N 0 0 407.510 5.195 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020646517 520496249 /nfs/dbraw/zinc/49/62/49/520496249.db2.gz DDALFVGDOGDAGQ-LFVJCYFKSA-N 0 0 419.521 6.157 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020646862 521648148 /nfs/dbraw/zinc/64/81/48/521648148.db2.gz ZIOIEHYPJACOHJ-HYARGMPZSA-N 0 0 405.494 5.685 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2ccccc21 ZINC000020647028 523304188 /nfs/dbraw/zinc/30/41/88/523304188.db2.gz RGVCCDYOTZZXDO-ZRWQFTNJSA-N 0 0 416.521 5.215 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2ccccc21 ZINC000020647031 523304952 /nfs/dbraw/zinc/30/49/52/523304952.db2.gz RGVCCDYOTZZXDO-PDERCVKFSA-N 0 0 416.521 5.215 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000020647041 558397226 /nfs/dbraw/zinc/39/72/26/558397226.db2.gz YTEIWYKHMFUXPU-ZZQPOVDQSA-N 0 0 416.521 5.357 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2ccccc21 ZINC000020647044 523305641 /nfs/dbraw/zinc/30/56/41/523305641.db2.gz YTEIWYKHMFUXPU-PTZPRWATSA-N 0 0 416.521 5.357 50 30 HKEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O ZINC000020647096 524322225 /nfs/dbraw/zinc/32/22/25/524322225.db2.gz CISRHRBXVJHIEJ-FMCGGJTJSA-N 0 0 409.526 5.131 50 30 HKEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647299 524230357 /nfs/dbraw/zinc/23/03/57/524230357.db2.gz JBLNNWJGMYMLNV-HHGUGQKFSA-N 0 0 418.320 5.547 50 30 HKEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647302 524092331 /nfs/dbraw/zinc/09/23/31/524092331.db2.gz JBLNNWJGMYMLNV-CCSWUNFSSA-N 0 0 418.320 5.547 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000020647479 521649169 /nfs/dbraw/zinc/64/91/69/521649169.db2.gz SPPHAFURTQONOK-OEAKJJBVSA-N 0 0 404.510 5.122 50 30 HKEARN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647517 525315612 /nfs/dbraw/zinc/31/56/12/525315612.db2.gz YZTVZZSCIQVRIO-SRMCNWIXSA-N 0 0 403.478 5.295 50 30 HKEARN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647520 525315795 /nfs/dbraw/zinc/31/57/95/525315795.db2.gz YZTVZZSCIQVRIO-QZDMBBGESA-N 0 0 403.478 5.295 50 30 HKEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020647682 523344604 /nfs/dbraw/zinc/34/46/04/523344604.db2.gz CNKOAILMZWONOF-OYKKKHCWSA-N 0 0 411.457 5.387 50 30 HKEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)C1 ZINC000020647707 525210510 /nfs/dbraw/zinc/21/05/10/525210510.db2.gz IMNSCRNQWOBIAR-WYIUDDKKSA-N 0 0 403.478 5.233 50 30 HKEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)C1 ZINC000020647714 524885583 /nfs/dbraw/zinc/88/55/83/524885583.db2.gz IMNSCRNQWOBIAR-WSQWEHKVSA-N 0 0 403.478 5.233 50 30 HKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647839 524114780 /nfs/dbraw/zinc/11/47/80/524114780.db2.gz VTTCOHYECGZDRL-CFFVULROSA-N 0 0 418.320 5.690 50 30 HKEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647842 526251188 /nfs/dbraw/zinc/25/11/88/526251188.db2.gz VTTCOHYECGZDRL-NLLJVSSUSA-N 0 0 418.320 5.690 50 30 HKEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000020648043 523341904 /nfs/dbraw/zinc/34/19/04/523341904.db2.gz FNJVMXMCTRUCKU-XKZIYDEJSA-N 0 0 405.881 5.294 50 30 HKEARN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020648049 525316107 /nfs/dbraw/zinc/31/61/07/525316107.db2.gz VOWIXBRNOIXGEC-NXUSMQHESA-N 0 0 403.478 5.437 50 30 HKEARN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020648052 525316407 /nfs/dbraw/zinc/31/64/07/525316407.db2.gz VOWIXBRNOIXGEC-GLFIFPSUSA-N 0 0 403.478 5.437 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2 ZINC000020648106 521648845 /nfs/dbraw/zinc/64/88/45/521648845.db2.gz KFRKJPAFRNEXTN-BUVRLJJBSA-N 0 0 418.537 5.605 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020648130 520495788 /nfs/dbraw/zinc/49/57/88/520495788.db2.gz KJLHMUSIKGSGBZ-KQWNVCNZSA-N 0 0 409.526 5.419 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020648857 521647612 /nfs/dbraw/zinc/64/76/12/521647612.db2.gz TXIHBTJXIZNFSJ-NDENLUEZSA-N 0 0 403.881 5.423 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2ccccc21 ZINC000020649042 558397438 /nfs/dbraw/zinc/39/74/38/558397438.db2.gz RVUQFKZGAIBBJW-ZVHZXABRSA-N 0 0 416.521 5.215 50 30 HKEARN Cn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000020649156 523344686 /nfs/dbraw/zinc/34/46/86/523344686.db2.gz NEPZRGCKQFLNGT-AFUMVMLFSA-N 0 0 424.500 5.132 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c[nH]c3ccccc13)O2 ZINC000020649183 520496636 /nfs/dbraw/zinc/49/66/36/520496636.db2.gz NBUYXHFTCHLAQI-IWIPYMOSSA-N 0 0 418.537 5.892 50 30 HKEARN Cc1cc([O-])c(C[NH+]2CCCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649719 525315435 /nfs/dbraw/zinc/31/54/35/525315435.db2.gz WUGGTWAKCTYPQA-HMAPJEAMSA-N 0 0 403.478 5.439 50 30 HKEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)CC1 ZINC000020649986 521022744 /nfs/dbraw/zinc/02/27/44/521022744.db2.gz KUXMXGDJSZHHGI-JMIUGGIZSA-N 0 0 418.320 5.547 50 30 HKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2 ZINC000020650068 520421959 /nfs/dbraw/zinc/42/19/59/520421959.db2.gz ULSHRMKFWYKLSU-OEAKJJBVSA-N 0 0 404.510 5.215 50 30 HKEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1 ZINC000020650214 525768939 /nfs/dbraw/zinc/76/89/39/525768939.db2.gz NXXYLGZIHDHMEJ-FMCGGJTJSA-N 0 0 409.526 5.131 50 30 HKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020650330 520417004 /nfs/dbraw/zinc/41/70/04/520417004.db2.gz OQJUOPHOZYWALB-UQQQWYQISA-N 0 0 413.517 5.907 50 30 HKEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020650592 525210402 /nfs/dbraw/zinc/21/04/02/525210402.db2.gz CJXWUSFJAOKMRV-RYXVLCDZSA-N 0 0 415.892 5.279 50 30 HKEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1 ZINC000020650597 524885281 /nfs/dbraw/zinc/88/52/81/524885281.db2.gz CJXWUSFJAOKMRV-OZYOTALKSA-N 0 0 415.892 5.279 50 30 HKEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)CC1 ZINC000020650799 521023402 /nfs/dbraw/zinc/02/34/02/521023402.db2.gz SJGUYOMLZSYDDA-JAIQZWGSSA-N 0 0 401.865 5.033 50 30 HKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020650830 524115457 /nfs/dbraw/zinc/11/54/57/524115457.db2.gz OBEOHKSOILYDOM-RBFBNPFJSA-N 0 0 401.865 5.175 50 30 HKEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020650833 526251847 /nfs/dbraw/zinc/25/18/47/526251847.db2.gz OBEOHKSOILYDOM-GHOUAXAESA-N 0 0 401.865 5.175 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 ZINC000020650966 521648082 /nfs/dbraw/zinc/64/80/82/521648082.db2.gz KXUNTJKUMDONHQ-NDENLUEZSA-N 0 0 420.336 5.937 50 30 HKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2ccccc21 ZINC000020663793 523305339 /nfs/dbraw/zinc/30/53/39/523305339.db2.gz FPBPGGZZOOJIHH-BUVRLJJBSA-N 0 0 416.521 5.359 50 30 HKEARN CCOc1cccc2cc(/C(C)=N/NC(=S)Nc3cccc(C(F)(F)F)c3)oc21 ZINC000020665430 521435070 /nfs/dbraw/zinc/43/50/70/521435070.db2.gz MCWCHKOUMKTKKK-BRJLIKDPSA-N 0 0 421.444 5.561 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC ZINC000020727449 525235366 /nfs/dbraw/zinc/23/53/66/525235366.db2.gz OQJYOYVSSOOVDU-FPTDNZKUSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC ZINC000020727452 525401615 /nfs/dbraw/zinc/40/16/15/525401615.db2.gz OQJYOYVSSOOVDU-PEBXRYMYSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1OC ZINC000020727457 525234887 /nfs/dbraw/zinc/23/48/87/525234887.db2.gz OQJYOYVSSOOVDU-RCDICMHDSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1OC ZINC000020727460 525401191 /nfs/dbraw/zinc/40/11/91/525401191.db2.gz OQJYOYVSSOOVDU-JLCFBVMHSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1OC ZINC000020737336 525234314 /nfs/dbraw/zinc/23/43/14/525234314.db2.gz OKBHKNZQMBASTC-BTYIYWSLSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1OC ZINC000020737339 525401041 /nfs/dbraw/zinc/40/10/41/525401041.db2.gz OKBHKNZQMBASTC-VFNWGFHPSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1OC ZINC000020737342 525235348 /nfs/dbraw/zinc/23/53/48/525235348.db2.gz OKBHKNZQMBASTC-YCRPNKLZSA-N 0 0 422.506 5.020 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1OC ZINC000020737345 525401666 /nfs/dbraw/zinc/40/16/66/525401666.db2.gz OKBHKNZQMBASTC-QVKFZJNVSA-N 0 0 422.506 5.020 50 30 HKEARN Cc1ccc([C@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1 ZINC000020792830 526047468 /nfs/dbraw/zinc/04/74/68/526047468.db2.gz QTHZGJIAEIEINR-QKDODKLFSA-N 0 0 419.503 6.342 50 30 HKEARN COc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1OC ZINC000020805930 523164743 /nfs/dbraw/zinc/16/47/43/523164743.db2.gz ATIXNVJFFUIFIV-KEBDBYFISA-N 0 0 418.316 5.036 50 30 HKEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020808166 526431378 /nfs/dbraw/zinc/43/13/78/526431378.db2.gz PPBABPDVOHWTOJ-RMTZWNOUSA-N 0 0 401.469 5.096 50 30 HKEARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000020808369 568644345 /nfs/dbraw/zinc/64/43/45/568644345.db2.gz PPVDVFRBBRAPBA-UHFFFAOYSA-N 0 0 405.816 5.720 50 30 HKEARN Cc1cc(C)c2c(n1)sc1c2nc(N)c(C#N)c1-c1ccc(Br)cc1 ZINC000020841125 568644617 /nfs/dbraw/zinc/64/46/17/568644617.db2.gz WCCNCACOLTUHPL-UHFFFAOYSA-N 0 0 409.312 5.345 50 30 HKEARN OC(C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000020842324 527504036 /nfs/dbraw/zinc/50/40/36/527504036.db2.gz FBUNMTKYPFYKAM-UHFFFAOYSA-N 0 0 417.552 5.628 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3cccc([N+](=O)[O-])c3)c1[C@@H]2c1cccs1 ZINC000020849718 520260348 /nfs/dbraw/zinc/26/03/48/520260348.db2.gz ZPHJZNPQYDSUEQ-GOSISDBHSA-N 0 0 420.494 5.247 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3cccc([N+](=O)[O-])c3)c1[C@H]2c1cccs1 ZINC000020849721 520259557 /nfs/dbraw/zinc/25/95/57/520259557.db2.gz ZPHJZNPQYDSUEQ-SFHVURJKSA-N 0 0 420.494 5.247 50 30 HKEARN CCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849901 520978039 /nfs/dbraw/zinc/97/80/39/520978039.db2.gz IVZHCQQTXAUVKP-GOSISDBHSA-N 0 0 416.978 5.482 50 30 HKEARN CCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849904 520978258 /nfs/dbraw/zinc/97/82/58/520978258.db2.gz IVZHCQQTXAUVKP-SFHVURJKSA-N 0 0 416.978 5.482 50 30 HKEARN CCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849912 520978577 /nfs/dbraw/zinc/97/85/77/520978577.db2.gz QEQFUJIHYZXFGL-GOSISDBHSA-N 0 0 416.978 5.482 50 30 HKEARN CCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849914 520977721 /nfs/dbraw/zinc/97/77/21/520977721.db2.gz QEQFUJIHYZXFGL-SFHVURJKSA-N 0 0 416.978 5.482 50 30 HKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850237 520273204 /nfs/dbraw/zinc/27/32/04/520273204.db2.gz MXPLZFGBULEEGT-HXUWFJFHSA-N 0 0 410.587 5.527 50 30 HKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850240 520273121 /nfs/dbraw/zinc/27/31/21/520273121.db2.gz MXPLZFGBULEEGT-FQEVSTJZSA-N 0 0 410.587 5.527 50 30 HKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850861 520274447 /nfs/dbraw/zinc/27/44/47/520274447.db2.gz KDVMYDDZNOMJKK-LJQANCHMSA-N 0 0 414.550 5.358 50 30 HKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850864 520274520 /nfs/dbraw/zinc/27/45/20/520274520.db2.gz KDVMYDDZNOMJKK-IBGZPJMESA-N 0 0 414.550 5.358 50 30 HKEARN C=CCN1c2c(c(C)nn2-c2nc3ccccc3s2)[C@H](c2ccc(C)cc2)CC1=O ZINC000020890799 518874094 /nfs/dbraw/zinc/87/40/94/518874094.db2.gz FYUIWWVKMKWRKD-SFHVURJKSA-N 0 0 414.534 5.153 50 30 HKEARN C=CCN1c2c(c(C)nn2-c2nc3ccccc3s2)[C@@H](c2ccc(C)cc2)CC1=O ZINC000020890803 518872177 /nfs/dbraw/zinc/87/21/77/518872177.db2.gz FYUIWWVKMKWRKD-GOSISDBHSA-N 0 0 414.534 5.153 50 30 HKEARN COc1ccc(CNc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 ZINC000020890998 568647651 /nfs/dbraw/zinc/64/76/51/568647651.db2.gz SVCXOCMNVUVRGN-UHFFFAOYSA-N 0 0 401.422 5.006 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1cccnc1 ZINC000020891035 568647560 /nfs/dbraw/zinc/64/75/60/568647560.db2.gz DMTOSYJMRXYEMP-UHFFFAOYSA-N 0 0 406.829 5.046 50 30 HKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)c1 ZINC000020891048 568647393 /nfs/dbraw/zinc/64/73/93/568647393.db2.gz OMGQCNXVNUJLKF-UHFFFAOYSA-N 0 0 419.868 5.959 50 30 HKEARN C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C1CC1 ZINC000020969946 519203662 /nfs/dbraw/zinc/20/36/62/519203662.db2.gz HUANJDSJPRXORX-UHFFFAOYSA-N 0 0 420.563 5.263 50 30 HKEARN CCN(Cc1ccccc1)c1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1 ZINC000020987357 568655238 /nfs/dbraw/zinc/65/52/38/568655238.db2.gz LKUWDOZEOIPDJC-JWGURIENSA-N 0 0 405.567 5.216 50 30 HKEARN C=CCN(C(=O)c1ccc(Br)s1)c1nc(-c2ccccc2)cs1 ZINC000020989139 568460818 /nfs/dbraw/zinc/46/08/18/568460818.db2.gz IFOKJLQIUIHZRT-UHFFFAOYSA-N 0 0 405.342 5.467 50 30 HKEARN Cc1ccc(N2C(=O)C(C)(C)[C@@H]([NH+]3CCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021152083 568672657 /nfs/dbraw/zinc/67/26/57/568672657.db2.gz XZDSUKHWUUNSPC-SXHXIUBKSA-N 0 0 419.613 5.200 50 30 HKEARN CCOc1ccccc1/C(O)=N/c1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000021155935 521446656 /nfs/dbraw/zinc/44/66/56/521446656.db2.gz LROFMTNCJDUISZ-UHFFFAOYSA-N 0 0 406.482 5.573 50 30 HKEARN COc1cc(OC)cc(/C(O)=N/c2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000021155943 522842540 /nfs/dbraw/zinc/84/25/40/522842540.db2.gz UPEICQSDQYEAQX-UHFFFAOYSA-N 0 0 422.481 5.191 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157839 518326905 /nfs/dbraw/zinc/32/69/05/518326905.db2.gz ODRAKENRKUBIJG-KRWDZBQOSA-N 0 0 423.921 5.563 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OC ZINC000021157842 518329358 /nfs/dbraw/zinc/32/93/58/518329358.db2.gz ODRAKENRKUBIJG-QGZVFWFLSA-N 0 0 423.921 5.563 50 30 HKEARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NC2(C#N)CCCCC2)n1 ZINC000021170217 527206081 /nfs/dbraw/zinc/20/60/81/527206081.db2.gz JIYHHKLLLHXKHB-UHFFFAOYSA-N 0 0 422.579 5.102 50 30 HKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)cc1)C2 ZINC000021349442 521591753 /nfs/dbraw/zinc/59/17/53/521591753.db2.gz HPIOBDWAVIWUCY-MWTRTKDXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)cc1)C2 ZINC000021349448 521581082 /nfs/dbraw/zinc/58/10/82/521581082.db2.gz HPIOBDWAVIWUCY-WAIKUNEKSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)cc1)C2 ZINC000021349455 521591873 /nfs/dbraw/zinc/59/18/73/521591873.db2.gz HPIOBDWAVIWUCY-HJPURHCSSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)cc1)C2 ZINC000021349460 521580708 /nfs/dbraw/zinc/58/07/08/521580708.db2.gz HPIOBDWAVIWUCY-QMHKHESXSA-N 0 0 416.477 5.046 50 30 HKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000021349565 524056792 /nfs/dbraw/zinc/05/67/92/524056792.db2.gz FZJRMNJWCFUTNE-HXOBKFHXSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000021349571 524041421 /nfs/dbraw/zinc/04/14/21/524041421.db2.gz FZJRMNJWCFUTNE-UZUQRXQVSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000021349576 524056878 /nfs/dbraw/zinc/05/68/78/524056878.db2.gz FZJRMNJWCFUTNE-SBUREZEXSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000021349583 524040951 /nfs/dbraw/zinc/04/09/51/524040951.db2.gz FZJRMNJWCFUTNE-GAJHUEQPSA-N 0 0 400.478 5.209 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000021349591 526676288 /nfs/dbraw/zinc/67/62/88/526676288.db2.gz KLKOIWGDYTULAF-KOSHJBKYSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000021349596 526675500 /nfs/dbraw/zinc/67/55/00/526675500.db2.gz KLKOIWGDYTULAF-HOYKHHGWSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000021349602 526676285 /nfs/dbraw/zinc/67/62/85/526676285.db2.gz KLKOIWGDYTULAF-UUOWRZLLSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000021349606 526675603 /nfs/dbraw/zinc/67/56/03/526675603.db2.gz KLKOIWGDYTULAF-MHECFPHRSA-N 0 0 414.505 5.770 50 30 HKEARN CC(C)N1c2ccc(NC(=O)c3ccc(C#N)cc3)cc2Sc2ccccc2C1=O ZINC000021355173 568688064 /nfs/dbraw/zinc/68/80/64/568688064.db2.gz PEIKCMKNCSMUKI-UHFFFAOYSA-N 0 0 413.502 5.330 50 30 HKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000021356104 519584631 /nfs/dbraw/zinc/58/46/31/519584631.db2.gz GMMOJLFYHQETDJ-VWLOTQADSA-N 0 0 402.538 5.876 50 30 HKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000021356111 519584497 /nfs/dbraw/zinc/58/44/97/519584497.db2.gz GMMOJLFYHQETDJ-RUZDIDTESA-N 0 0 402.538 5.876 50 30 HKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000021356116 519928174 /nfs/dbraw/zinc/92/81/74/519928174.db2.gz IJHSEVVBLSLQNL-DEOSSOPVSA-N 0 0 422.594 6.471 50 30 HKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000021356121 519929173 /nfs/dbraw/zinc/92/91/73/519929173.db2.gz IJHSEVVBLSLQNL-XMMPIXPASA-N 0 0 422.594 6.471 50 30 HKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000021356208 526143353 /nfs/dbraw/zinc/14/33/53/526143353.db2.gz LECCXYDJOWZLEC-DEOSSOPVSA-N 0 0 414.530 5.877 50 30 HKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000021356213 526143303 /nfs/dbraw/zinc/14/33/03/526143303.db2.gz LECCXYDJOWZLEC-XMMPIXPASA-N 0 0 414.530 5.877 50 30 HKEARN O=C(c1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021356218 526690562 /nfs/dbraw/zinc/69/05/62/526690562.db2.gz WWTGVWUFEIKVOE-QHCPKHFHSA-N 0 0 418.493 5.708 50 30 HKEARN O=C(c1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021356224 526691393 /nfs/dbraw/zinc/69/13/93/526691393.db2.gz WWTGVWUFEIKVOE-HSZRJFAPSA-N 0 0 418.493 5.708 50 30 HKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccccc1Cl)c1ccccc1N2 ZINC000021356230 526969221 /nfs/dbraw/zinc/96/92/21/526969221.db2.gz AMYNAESRUCMXPO-DEOSSOPVSA-N 0 0 404.897 6.114 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccccc1Cl)c1ccccc1N2 ZINC000021356236 526967956 /nfs/dbraw/zinc/96/79/56/526967956.db2.gz AMYNAESRUCMXPO-XMMPIXPASA-N 0 0 404.897 6.114 50 30 HKEARN CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 ZINC000021475716 568702769 /nfs/dbraw/zinc/70/27/69/568702769.db2.gz UAXKSORQDOVOGD-UHFFFAOYSA-N 0 0 412.518 5.173 50 30 HKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000021514968 568706614 /nfs/dbraw/zinc/70/66/14/568706614.db2.gz SXGCBNAODQUENY-UHFFFAOYSA-N 0 0 404.413 5.296 50 30 HKEARN Cc1ccc(C)c(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 ZINC000021534109 524118185 /nfs/dbraw/zinc/11/81/85/524118185.db2.gz KIQPWNYTFVURRM-UHFFFAOYSA-N 0 0 414.553 5.394 50 30 HKEARN CCc1ccccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 ZINC000021534111 521849721 /nfs/dbraw/zinc/84/97/21/521849721.db2.gz MOHXHQSCEJMWHH-UHFFFAOYSA-N 0 0 414.553 5.340 50 30 HKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc1 ZINC000021540233 520858000 /nfs/dbraw/zinc/85/80/00/520858000.db2.gz APKJVJWZHKSOGM-FXBPSFAMSA-N 0 0 415.464 6.569 50 30 HKEARN C=CCN(C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2)cs1 ZINC000021597810 518731516 /nfs/dbraw/zinc/73/15/16/518731516.db2.gz JYPUDARFSFOFPL-UHFFFAOYSA-N 0 0 422.535 5.073 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000021658603 527554177 /nfs/dbraw/zinc/55/41/77/527554177.db2.gz MBYBDOHBSVXDEL-QFIPXVFZSA-N 0 0 417.940 6.035 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000021658605 527554195 /nfs/dbraw/zinc/55/41/95/527554195.db2.gz MBYBDOHBSVXDEL-JOCHJYFZSA-N 0 0 417.940 6.035 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000021658658 520259950 /nfs/dbraw/zinc/25/99/50/520259950.db2.gz UVJCLKAGCVPPJG-HSZRJFAPSA-N 0 0 414.465 5.116 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(-c3ccccc3)nn1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000021658660 520259729 /nfs/dbraw/zinc/25/97/29/520259729.db2.gz UVJCLKAGCVPPJG-QHCPKHFHSA-N 0 0 414.465 5.116 50 30 HKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(-c4ccc(C)cc4)nn32)cc1 ZINC000021658671 525227398 /nfs/dbraw/zinc/22/73/98/525227398.db2.gz PJHFZPZSILMDFK-RUZDIDTESA-N 0 0 413.521 5.525 50 30 HKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3cc(-c4ccc(C)cc4)nn32)cc1 ZINC000021658673 525392216 /nfs/dbraw/zinc/39/22/16/525392216.db2.gz PJHFZPZSILMDFK-VWLOTQADSA-N 0 0 413.521 5.525 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000021658688 527554003 /nfs/dbraw/zinc/55/40/03/527554003.db2.gz JSTLLCPYRLMWTM-NRFANRHFSA-N 0 0 424.331 6.052 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000021658689 527553341 /nfs/dbraw/zinc/55/33/41/527553341.db2.gz JSTLLCPYRLMWTM-OAQYLSRUSA-N 0 0 424.331 6.052 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000021660411 526077621 /nfs/dbraw/zinc/07/76/21/526077621.db2.gz FUNIOAIXWHMWPU-VGSWGCGISA-N 0 0 402.519 5.663 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000021660413 526065557 /nfs/dbraw/zinc/06/55/57/526065557.db2.gz FUNIOAIXWHMWPU-VGOFRKELSA-N 0 0 402.519 5.663 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000021660414 526078137 /nfs/dbraw/zinc/07/81/37/526078137.db2.gz FUNIOAIXWHMWPU-JTSKRJEESA-N 0 0 402.519 5.663 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000021660416 526064945 /nfs/dbraw/zinc/06/49/45/526064945.db2.gz FUNIOAIXWHMWPU-HTAPYJJXSA-N 0 0 402.519 5.663 50 30 HKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000021660486 524056834 /nfs/dbraw/zinc/05/68/34/524056834.db2.gz KKFIYUFSPZMYFD-JPYJTQIMSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000021660487 524041031 /nfs/dbraw/zinc/04/10/31/524041031.db2.gz KKFIYUFSPZMYFD-WZONZLPQSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000021660489 524056688 /nfs/dbraw/zinc/05/66/88/524056688.db2.gz KKFIYUFSPZMYFD-MBSDFSHPSA-N 0 0 400.478 5.209 50 30 HKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000021660490 524041441 /nfs/dbraw/zinc/04/14/41/524041441.db2.gz KKFIYUFSPZMYFD-FDDCHVKYSA-N 0 0 400.478 5.209 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccco1 ZINC000021722214 520262599 /nfs/dbraw/zinc/26/25/99/520262599.db2.gz ZLZMLXKVZMPJJB-HSZRJFAPSA-N 0 0 419.525 5.548 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccco1 ZINC000021722216 520262891 /nfs/dbraw/zinc/26/28/91/520262891.db2.gz ZLZMLXKVZMPJJB-QHCPKHFHSA-N 0 0 419.525 5.548 50 30 HKEARN O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021722311 527201361 /nfs/dbraw/zinc/20/13/61/527201361.db2.gz UXNJCGVWXAOBRQ-QHCPKHFHSA-N 0 0 417.440 5.631 50 30 HKEARN O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722313 527201433 /nfs/dbraw/zinc/20/14/33/527201433.db2.gz UXNJCGVWXAOBRQ-HSZRJFAPSA-N 0 0 417.440 5.631 50 30 HKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021722323 525252249 /nfs/dbraw/zinc/25/22/49/525252249.db2.gz JFCQNYUEOBUCLS-DEOSSOPVSA-N 0 0 413.477 5.800 50 30 HKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722325 525252214 /nfs/dbraw/zinc/25/22/14/525252214.db2.gz JFCQNYUEOBUCLS-XMMPIXPASA-N 0 0 413.477 5.800 50 30 HKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722330 527394195 /nfs/dbraw/zinc/39/41/95/527394195.db2.gz SSKYXUBSAXSWJO-HSZRJFAPSA-N 0 0 415.518 5.961 50 30 HKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722332 527393394 /nfs/dbraw/zinc/39/33/94/527393394.db2.gz SSKYXUBSAXSWJO-QHCPKHFHSA-N 0 0 415.518 5.961 50 30 HKEARN O=C(NC1CCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722362 527507161 /nfs/dbraw/zinc/50/71/61/527507161.db2.gz MFTOKUASBFAWIX-JOCHJYFZSA-N 0 0 407.539 5.381 50 30 HKEARN O=C(NC1CCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722364 527506524 /nfs/dbraw/zinc/50/65/24/527506524.db2.gz MFTOKUASBFAWIX-QFIPXVFZSA-N 0 0 407.539 5.381 50 30 HKEARN O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722366 526775482 /nfs/dbraw/zinc/77/54/82/526775482.db2.gz CIHGKBPSLKKRHS-JOCHJYFZSA-N 0 0 419.506 5.231 50 30 HKEARN O=C(NCc1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722368 526776034 /nfs/dbraw/zinc/77/60/34/526776034.db2.gz CIHGKBPSLKKRHS-QFIPXVFZSA-N 0 0 419.506 5.231 50 30 HKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000021722405 525984435 /nfs/dbraw/zinc/98/44/35/525984435.db2.gz YOJVUJRGCGMGAD-DEOSSOPVSA-N 0 0 402.538 5.794 50 30 HKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000021722407 525790221 /nfs/dbraw/zinc/79/02/21/525790221.db2.gz YOJVUJRGCGMGAD-XMMPIXPASA-N 0 0 402.538 5.794 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000021722409 521167170 /nfs/dbraw/zinc/16/71/70/521167170.db2.gz CYXJNQSIHSBBII-DEOSSOPVSA-N 0 0 404.510 5.248 50 30 HKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000021722415 521168328 /nfs/dbraw/zinc/16/83/28/521168328.db2.gz CYXJNQSIHSBBII-XMMPIXPASA-N 0 0 404.510 5.248 50 30 HKEARN COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(C)C ZINC000021722417 524805332 /nfs/dbraw/zinc/80/53/32/524805332.db2.gz HTXPEESSDKOBDQ-DEOSSOPVSA-N 0 0 418.537 5.494 50 30 HKEARN COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(C)C ZINC000021722419 524746700 /nfs/dbraw/zinc/74/67/00/524746700.db2.gz HTXPEESSDKOBDQ-XMMPIXPASA-N 0 0 418.537 5.494 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccco1 ZINC000021722424 520261698 /nfs/dbraw/zinc/26/16/98/520261698.db2.gz XSNDSGQXVFEANM-JOCHJYFZSA-N 0 0 418.518 5.798 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccco1 ZINC000021722425 520262312 /nfs/dbraw/zinc/26/23/12/520262312.db2.gz XSNDSGQXVFEANM-QFIPXVFZSA-N 0 0 418.518 5.798 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000021722459 526969750 /nfs/dbraw/zinc/96/97/50/526969750.db2.gz VQMVJJDZBHUUKE-DEOSSOPVSA-N 0 0 420.965 6.582 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000021722461 526968648 /nfs/dbraw/zinc/96/86/48/526968648.db2.gz VQMVJJDZBHUUKE-XMMPIXPASA-N 0 0 420.965 6.582 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2 ZINC000021722463 526969899 /nfs/dbraw/zinc/96/98/99/526969899.db2.gz RMPYEOQXMGWZNB-DEOSSOPVSA-N 0 0 404.510 6.068 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2 ZINC000021722465 526968331 /nfs/dbraw/zinc/96/83/31/526968331.db2.gz RMPYEOQXMGWZNB-XMMPIXPASA-N 0 0 404.510 6.068 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1Cl)c1ccccc1N2 ZINC000021722467 526969591 /nfs/dbraw/zinc/96/95/91/526969591.db2.gz GDFLRPUBZXYWFT-DEOSSOPVSA-N 0 0 420.965 6.582 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1Cl)c1ccccc1N2 ZINC000021722469 526968487 /nfs/dbraw/zinc/96/84/87/526968487.db2.gz GDFLRPUBZXYWFT-XMMPIXPASA-N 0 0 420.965 6.582 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1cccc(F)c1)c1ccccc1N2 ZINC000021722471 526969772 /nfs/dbraw/zinc/96/97/72/526969772.db2.gz GKJGIOCQYGKCSO-DEOSSOPVSA-N 0 0 404.510 6.068 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1cccc(F)c1)c1ccccc1N2 ZINC000021722473 526968401 /nfs/dbraw/zinc/96/84/01/526968401.db2.gz GKJGIOCQYGKCSO-XMMPIXPASA-N 0 0 404.510 6.068 50 30 HKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccc(F)cc1)c1ccccc1N2 ZINC000021722474 526969144 /nfs/dbraw/zinc/96/91/44/526969144.db2.gz WKAQWBIOPIQAGL-DEOSSOPVSA-N 0 0 404.510 6.068 50 30 HKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccc(F)cc1)c1ccccc1N2 ZINC000021722476 526967559 /nfs/dbraw/zinc/96/75/59/526967559.db2.gz WKAQWBIOPIQAGL-XMMPIXPASA-N 0 0 404.510 6.068 50 30 HKEARN Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000021722478 524485877 /nfs/dbraw/zinc/48/58/77/524485877.db2.gz QLHMCVXZXNYADJ-VWLOTQADSA-N 0 0 400.547 6.237 50 30 HKEARN Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000021722480 524485726 /nfs/dbraw/zinc/48/57/26/524485726.db2.gz QLHMCVXZXNYADJ-RUZDIDTESA-N 0 0 400.547 6.237 50 30 HKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 ZINC000021722486 524410492 /nfs/dbraw/zinc/41/04/92/524410492.db2.gz ULYXVPJNUHSZQJ-VWLOTQADSA-N 0 0 400.547 6.237 50 30 HKEARN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 ZINC000021722488 524409649 /nfs/dbraw/zinc/40/96/49/524409649.db2.gz ULYXVPJNUHSZQJ-RUZDIDTESA-N 0 0 400.547 6.237 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000021722874 519884159 /nfs/dbraw/zinc/88/41/59/519884159.db2.gz ZZVFMRARQXFBMD-QHCPKHFHSA-N 0 0 403.526 5.423 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000021722877 519883881 /nfs/dbraw/zinc/88/38/81/519883881.db2.gz ZZVFMRARQXFBMD-HSZRJFAPSA-N 0 0 403.526 5.423 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000021722879 519884084 /nfs/dbraw/zinc/88/40/84/519884084.db2.gz ANLHHPDMFLMSDS-DEOSSOPVSA-N 0 0 417.553 5.731 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000021722882 519884035 /nfs/dbraw/zinc/88/40/35/519884035.db2.gz ANLHHPDMFLMSDS-XMMPIXPASA-N 0 0 417.553 5.731 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000021722899 519884055 /nfs/dbraw/zinc/88/40/55/519884055.db2.gz BLDNCTFCGHYRRV-QHCPKHFHSA-N 0 0 421.516 5.562 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000021722901 519883886 /nfs/dbraw/zinc/88/38/86/519883886.db2.gz BLDNCTFCGHYRRV-HSZRJFAPSA-N 0 0 421.516 5.562 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000021722915 519883915 /nfs/dbraw/zinc/88/39/15/519883915.db2.gz CPFSIUSNJPSISJ-NRFANRHFSA-N 0 0 409.555 5.484 50 30 HKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000021722917 519884082 /nfs/dbraw/zinc/88/40/82/519884082.db2.gz CPFSIUSNJPSISJ-OAQYLSRUSA-N 0 0 409.555 5.484 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000021728812 519044255 /nfs/dbraw/zinc/04/42/55/519044255.db2.gz GEKUFUWNORXNDX-QHCPKHFHSA-N 0 0 421.500 5.578 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000021728816 519048797 /nfs/dbraw/zinc/04/87/97/519048797.db2.gz GEKUFUWNORXNDX-HSZRJFAPSA-N 0 0 421.500 5.578 50 30 HKEARN C=CCc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC ZINC000021787249 519143408 /nfs/dbraw/zinc/14/34/08/519143408.db2.gz HGKOBRYDRASGSZ-HSZRJFAPSA-N 0 0 417.553 5.307 50 30 HKEARN C=CCc1ccccc1OCCCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CC ZINC000021787253 519143928 /nfs/dbraw/zinc/14/39/28/519143928.db2.gz HGKOBRYDRASGSZ-QHCPKHFHSA-N 0 0 417.553 5.307 50 30 HKEARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)cc1 ZINC000021789210 524008277 /nfs/dbraw/zinc/00/82/77/524008277.db2.gz RANCSPZEDGWUIR-UHFFFAOYSA-N 0 0 402.545 5.204 50 30 HKEARN CCCc1nnc(NC(=O)c2sc(COc3ccc(CC)cc3)nc2C)s1 ZINC000021789215 521559690 /nfs/dbraw/zinc/55/96/90/521559690.db2.gz HCPSXVFYRLJPTR-UHFFFAOYSA-N 0 0 402.545 5.033 50 30 HKEARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000021789233 526905369 /nfs/dbraw/zinc/90/53/69/526905369.db2.gz QSQNXEIOMDOSSX-UHFFFAOYSA-N 0 0 402.545 5.259 50 30 HKEARN CCCc1nnc(NC(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)s1 ZINC000021789237 521558113 /nfs/dbraw/zinc/55/81/13/521558113.db2.gz SZBAZRIPEGFULW-UHFFFAOYSA-N 0 0 402.545 5.088 50 30 HKEARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000021789240 526905326 /nfs/dbraw/zinc/90/53/26/526905326.db2.gz QKPDRZGYOVHKHQ-UHFFFAOYSA-N 0 0 400.529 5.013 50 30 HKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@@H]21 ZINC000022001791 568764253 /nfs/dbraw/zinc/76/42/53/568764253.db2.gz MANGFGHGCHDVHO-RZUBCFFCSA-N 0 0 413.527 5.219 50 30 HKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@@H]21 ZINC000022001797 526430534 /nfs/dbraw/zinc/43/05/34/526430534.db2.gz MANGFGHGCHDVHO-KCZVDYSFSA-N 0 0 413.527 5.219 50 30 HKEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000022022747 526431081 /nfs/dbraw/zinc/43/10/81/526431081.db2.gz PPBABPDVOHWTOJ-DGWZTRNLSA-N 0 0 401.469 5.096 50 30 HKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1([NH2+]C1CCCCC1)c1ccccc1 ZINC000022027600 520790783 /nfs/dbraw/zinc/79/07/83/520790783.db2.gz OETJTLHGRAXRJR-SSEXGKCCSA-N 0 0 419.568 6.680 50 30 HKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1([NH2+]C1CCCCC1)c1ccccc1 ZINC000022027603 520789698 /nfs/dbraw/zinc/78/96/98/520789698.db2.gz OETJTLHGRAXRJR-PMERELPUSA-N 0 0 419.568 6.680 50 30 HKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1 ZINC000022028014 527353660 /nfs/dbraw/zinc/35/36/60/527353660.db2.gz CIGMEMIYIUIATC-KEBDBYFISA-N 0 0 420.650 5.717 50 30 HKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1Cl ZINC000022033577 521977807 /nfs/dbraw/zinc/97/78/07/521977807.db2.gz STUAETXHGNOPSJ-XKZIYDEJSA-N 0 0 408.906 6.257 50 30 HKEARN O=C1/C(=C/c2cccc(F)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(F)c1 ZINC000022096247 526941657 /nfs/dbraw/zinc/94/16/57/526941657.db2.gz SJDWRYZWCMBXBE-FWSOMWAYSA-N 0 0 401.456 5.517 50 30 HKEARN CCCCCc1nc(N)c(-c2cccc(Br)c2)c(C#N)c1CCCC ZINC000022130551 558862188 /nfs/dbraw/zinc/86/21/88/558862188.db2.gz VJBBLKOYTCCSKE-UHFFFAOYSA-N 0 0 400.364 6.040 50 30 HKEARN O=C1[C@H](Cc2ccccc2)S/C(=N\N=C/c2ccccc2Cl)N1c1ccccc1 ZINC000022130589 527112885 /nfs/dbraw/zinc/11/28/85/527112885.db2.gz UXOQOFUGRCTRLU-UFRXZOOPSA-N 0 0 419.937 5.421 50 30 HKEARN O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C/c2ccccc2Cl)N1c1ccccc1 ZINC000022130590 527102987 /nfs/dbraw/zinc/10/29/87/527102987.db2.gz UXOQOFUGRCTRLU-MAHRKFQCSA-N 0 0 419.937 5.421 50 30 HKEARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022132669 526012843 /nfs/dbraw/zinc/01/28/43/526012843.db2.gz CPZADMYVZMOQIM-GXPOEHQZSA-N 0 0 419.550 5.022 50 30 HKEARN C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022132670 526013486 /nfs/dbraw/zinc/01/34/86/526013486.db2.gz CPZADMYVZMOQIM-WASCAKKMSA-N 0 0 419.550 5.022 50 30 HKEARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022132716 526011494 /nfs/dbraw/zinc/01/14/94/526011494.db2.gz CARBEWXCDALLEZ-RNEAKCBISA-N 0 0 411.552 5.159 50 30 HKEARN C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022132717 526010216 /nfs/dbraw/zinc/01/02/16/526010216.db2.gz CARBEWXCDALLEZ-HTMJNSLASA-N 0 0 411.552 5.159 50 30 HKEARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c2c1C ZINC000022168240 526890553 /nfs/dbraw/zinc/89/05/53/526890553.db2.gz FNFAESHZXVVBPF-MRXNPFEDSA-N 0 0 424.595 5.352 50 30 HKEARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)c2c1C ZINC000022168243 526890916 /nfs/dbraw/zinc/89/09/16/526890916.db2.gz FNFAESHZXVVBPF-INIZCTEOSA-N 0 0 424.595 5.352 50 30 HKEARN CC(=O)c1cc(C#N)c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nc1C ZINC000022187542 568764971 /nfs/dbraw/zinc/76/49/71/568764971.db2.gz LQCGVIGEURRENU-UHFFFAOYSA-N 0 0 418.305 5.718 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S ZINC000022215407 518834068 /nfs/dbraw/zinc/83/40/68/518834068.db2.gz PUBYHTVKVPEPNN-UDWIEESQSA-N 0 0 424.978 5.730 50 30 HKEARN C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC1=S ZINC000022215468 518833693 /nfs/dbraw/zinc/83/36/93/518833693.db2.gz XHBDUTOZHZGRDO-UDWIEESQSA-N 0 0 408.523 5.216 50 30 HKEARN CC(C)c1ccc(/C=C(\C(=O)c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000022215515 519834181 /nfs/dbraw/zinc/83/41/81/519834181.db2.gz CNMSFWXLHAJAOC-HMMYKYKNSA-N 0 0 401.893 7.028 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000022239174 520804985 /nfs/dbraw/zinc/80/49/85/520804985.db2.gz LHYRKZWPBIMOLJ-HXUWFJFHSA-N 0 0 410.514 5.130 50 30 HKEARN O=[N+]([O-])c1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2ccccc21 ZINC000022340461 558779449 /nfs/dbraw/zinc/77/94/49/558779449.db2.gz WWSHWJOKGOXCSX-UHFFFAOYSA-N 0 0 404.241 6.067 50 30 HKEARN Cc1ccc(NC(=NOC(=O)Nc2ccc(Cl)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022342537 524911856 /nfs/dbraw/zinc/91/18/56/524911856.db2.gz FXMZCMSZKQHTBY-UHFFFAOYSA-N 0 0 424.844 5.579 50 30 HKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000022415373 568767579 /nfs/dbraw/zinc/76/75/79/568767579.db2.gz FTGSDIIEHUSLHV-UHFFFAOYSA-N 0 0 413.458 5.296 50 30 HKEARN CCCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N ZINC000022553962 559012196 /nfs/dbraw/zinc/01/21/96/559012196.db2.gz KSFYJPJRTWYJFZ-UHFFFAOYSA-N 0 0 400.507 5.155 50 30 HKEARN CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O ZINC000022612075 521317589 /nfs/dbraw/zinc/31/75/89/521317589.db2.gz FYQQKZCNQPJUEF-VULFUBBASA-N 0 0 417.534 5.033 50 30 HKEARN O=C(c1c(F)c(F)cc(F)c1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022642010 526575271 /nfs/dbraw/zinc/57/52/71/526575271.db2.gz WBGVYLXZBQCJTK-UHFFFAOYSA-N 0 0 419.340 5.357 50 30 HKEARN Cc1ccc(-c2onc3c2CCCC3)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000022658639 525889516 /nfs/dbraw/zinc/88/95/16/525889516.db2.gz MQVGUMZIFZCXDW-UHFFFAOYSA-N 0 0 424.316 5.300 50 30 HKEARN COc1ccc2sc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c(Cl)c2c1 ZINC000022659151 525697109 /nfs/dbraw/zinc/69/71/09/525697109.db2.gz IKPYCHGEPIOYAR-UHFFFAOYSA-N 0 0 423.737 5.126 50 30 HKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)NCc3ccco3)c2c1 ZINC000022699064 518617333 /nfs/dbraw/zinc/61/73/33/518617333.db2.gz YZZPDKVTOXIWBY-UHFFFAOYSA-N 0 0 417.461 5.586 50 30 HKEARN CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000022808503 557828645 /nfs/dbraw/zinc/82/86/45/557828645.db2.gz GYFZEUWURAVAFQ-UHFFFAOYSA-N 0 0 419.575 5.152 50 30 HKEARN Cc1ccc(CO/N=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000022873169 524626213 /nfs/dbraw/zinc/62/62/13/524626213.db2.gz NNZVAWZRFYVMOT-LUOAPIJWSA-N 0 0 404.819 6.280 50 30 HKEARN COc1cccc(CO/N=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000022873177 526047248 /nfs/dbraw/zinc/04/72/48/526047248.db2.gz RVQVNEXAUDDWNS-LUOAPIJWSA-N 0 0 420.818 5.980 50 30 HKEARN N#Cc1c(NC(=O)c2cc3ccccc3o2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022905017 557852218 /nfs/dbraw/zinc/85/22/18/557852218.db2.gz DIIWFRSTFDYOIL-UHFFFAOYSA-N 0 0 413.502 5.177 50 30 HKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2n1C(F)F ZINC000023053326 524035259 /nfs/dbraw/zinc/03/52/59/524035259.db2.gz JIGIEWFBIWLLCB-XDHOZWIPSA-N 0 0 413.493 5.404 50 30 HKEARN CC(C)c1ccc(-c2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 ZINC000023054856 519833887 /nfs/dbraw/zinc/83/38/87/519833887.db2.gz IDCHUCMMWBYRSS-UHFFFAOYSA-N 0 0 419.506 5.143 50 30 HKEARN COc1ccc(/C=C/C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000023055305 523402435 /nfs/dbraw/zinc/40/24/35/523402435.db2.gz LYXAWHFQYXQSKX-NYYWCZLTSA-N 0 0 415.533 5.746 50 30 HKEARN Cc1nc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c(C#N)c(C)c1C ZINC000023078507 558999350 /nfs/dbraw/zinc/99/93/50/558999350.db2.gz OAPHPVRDJZRVJD-QMTHXVAHSA-N 0 0 424.595 5.155 50 30 HKEARN Cc1nc(S[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c(C#N)c(C)c1C ZINC000023078509 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CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000023943245 559185895 /nfs/dbraw/zinc/18/58/95/559185895.db2.gz BTOJRSNNLQZRRB-UHFFFAOYSA-N 0 0 417.412 5.297 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC(F)F)cc3)c12 ZINC000023956840 519265605 /nfs/dbraw/zinc/26/56/05/519265605.db2.gz NFXGLGMNJSMXQJ-JLHYYAGUSA-N 0 0 407.420 5.281 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3OC(F)F)c12 ZINC000023967775 519268377 /nfs/dbraw/zinc/26/83/77/519268377.db2.gz ULTVLORLOHWIMZ-OUKQBFOZSA-N 0 0 407.420 5.281 50 30 HKEARN N#Cc1ccc(NC(=O)CSc2ccc3c4c2cccc4C(=O)c2ccccc2-3)cc1 ZINC000023983063 559186936 /nfs/dbraw/zinc/18/69/36/559186936.db2.gz HCCMVHFXPQKSMI-UHFFFAOYSA-N 0 0 420.493 5.654 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc4cc(OC)ccc4c3)c12 ZINC000023989299 519265639 /nfs/dbraw/zinc/26/56/39/519265639.db2.gz CJVWGQOVDHEVND-GXDHUFHOSA-N 0 0 421.500 5.841 50 30 HKEARN C=CCN(C(=O)CSCc1nc2ccccc2s1)c1nc2c(s1)CCCC2 ZINC000023995977 518733842 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N#CCCCCOC(=O)c1ccc(Oc2ccc(C(=O)OCCCCC#N)cc2)cc1 ZINC000024757738 526445099 /nfs/dbraw/zinc/44/50/99/526445099.db2.gz HUHKRNBAAQKBCU-UHFFFAOYSA-N 0 0 420.465 5.180 50 30 HKEARN C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000024767608 519134691 /nfs/dbraw/zinc/13/46/91/519134691.db2.gz LGFUUGHILDWLLL-VWLOTQADSA-N 0 0 419.546 5.038 50 30 HKEARN C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000024767618 519134174 /nfs/dbraw/zinc/13/41/74/519134174.db2.gz LGFUUGHILDWLLL-RUZDIDTESA-N 0 0 419.546 5.038 50 30 HKEARN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1 ZINC000024825297 520133736 /nfs/dbraw/zinc/13/37/36/520133736.db2.gz KVGANTDPFDGUEI-CMDGGOBGSA-N 0 0 400.500 5.280 50 30 HKEARN C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1 ZINC000024828755 519233144 /nfs/dbraw/zinc/23/31/44/519233144.db2.gz AIHCQUXYAQLVHD-UHFFFAOYSA-N 0 0 416.909 5.045 50 30 HKEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000024832258 568469977 /nfs/dbraw/zinc/46/99/77/568469977.db2.gz 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C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000025076338 519043691 /nfs/dbraw/zinc/04/36/91/519043691.db2.gz GGDJCUZGARVQRY-JOCHJYFZSA-N 0 0 405.538 6.065 50 30 HKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000025076348 524173926 /nfs/dbraw/zinc/17/39/26/524173926.db2.gz ZDBLJFJODBKPSQ-HXUWFJFHSA-N 0 0 409.526 5.517 50 30 HKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000025076408 520777196 /nfs/dbraw/zinc/77/71/96/520777196.db2.gz PFGGPRDFRBTNED-QFIPXVFZSA-N 0 0 423.553 5.907 50 30 HKEARN C=C(C)CN(CC)C(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025143188 518597753 /nfs/dbraw/zinc/59/77/53/518597753.db2.gz GETKHDYGZMMOAN-UHFFFAOYSA-N 0 0 416.550 5.246 50 30 HKEARN COc1ccc(-c2nn(CN(C)CCC#N)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000025157180 523246789 /nfs/dbraw/zinc/24/67/89/523246789.db2.gz PVYVKXJRRYOHCY-UHFFFAOYSA-N 0 0 421.570 5.005 50 30 HKEARN C=CCNC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025157402 518944869 /nfs/dbraw/zinc/94/48/69/518944869.db2.gz ZYZOXONSCGVUIM-UHFFFAOYSA-N 0 0 409.514 5.823 50 30 HKEARN C=C(C)CNC(=O)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000025159499 518608815 /nfs/dbraw/zinc/60/88/15/518608815.db2.gz PJOPPFLHUYYIFL-UHFFFAOYSA-N 0 0 423.541 6.213 50 30 HKEARN N#Cc1c(N)nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c1-c1ccccc1 ZINC000025337037 568763405 /nfs/dbraw/zinc/76/34/05/568763405.db2.gz IIPUFOXMGWKCPA-UHFFFAOYSA-N 0 0 420.497 5.202 50 30 HKEARN COc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1 ZINC000025396186 525779989 /nfs/dbraw/zinc/77/99/89/525779989.db2.gz RIOJLWWYBQNLAT-CCEZHUSRSA-N 0 0 420.468 6.190 50 30 HKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(OC(F)F)cc1 ZINC000025396191 527646356 /nfs/dbraw/zinc/64/63/56/527646356.db2.gz XSLXPUWBUSQRKF-JLHYYAGUSA-N 0 0 417.415 5.432 50 30 HKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)N=C(c3ccccc3)c3ccccc3)cc12 ZINC000025514097 527556558 /nfs/dbraw/zinc/55/65/58/527556558.db2.gz MEQYMRKCVHSFFL-UHFFFAOYSA-N 0 0 421.525 6.073 50 30 HKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000025558050 519834251 /nfs/dbraw/zinc/83/42/51/519834251.db2.gz FXDNEGDELLTXNM-FZSIALSZSA-N 0 0 424.493 5.613 50 30 HKEARN Cc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000025558063 526015040 /nfs/dbraw/zinc/01/50/40/526015040.db2.gz XWJAMQNDCPTXIN-NTEUORMPSA-N 0 0 420.530 5.584 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@]21C ZINC000025558875 519648535 /nfs/dbraw/zinc/64/85/35/519648535.db2.gz MKHNPPYVMVKVJL-FRZKEUIGSA-N 0 0 422.682 7.814 50 30 HKEARN C/C(=N\N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000025560167 518458020 /nfs/dbraw/zinc/45/80/20/518458020.db2.gz WTNXHKKRMMYLRC-JVWAILMASA-N 0 0 421.928 7.165 50 30 HKEARN N=C1O[C@@H](c2ccccc2Cl)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000025585490 526839795 /nfs/dbraw/zinc/83/97/95/526839795.db2.gz DQADYLOUMYVGGB-INTGQAGGSA-N 0 0 403.873 5.325 50 30 HKEARN N=C1O[C@H](c2ccccc2Cl)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000025585496 526840419 /nfs/dbraw/zinc/84/04/19/526840419.db2.gz DQADYLOUMYVGGB-WNVVFONQSA-N 0 0 403.873 5.325 50 30 HKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1Cl ZINC000025694812 525861508 /nfs/dbraw/zinc/86/15/08/525861508.db2.gz XVOMQDSBLWWKOC-UHFFFAOYSA-N 0 0 413.945 5.322 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c(Cl)cncc1Cl ZINC000025695028 520257293 /nfs/dbraw/zinc/25/72/93/520257293.db2.gz WBGNMIDZSHINEH-UHFFFAOYSA-N 0 0 419.352 5.362 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)nc1Cl ZINC000025695215 520257902 /nfs/dbraw/zinc/25/79/02/520257902.db2.gz IXANAIAOWTUVCP-UHFFFAOYSA-N 0 0 419.352 5.362 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1Cl ZINC000025695358 520258272 /nfs/dbraw/zinc/25/82/72/520258272.db2.gz YSDOSEAWIWMCTN-UHFFFAOYSA-N 0 0 401.909 5.452 50 30 HKEARN C=C(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000025760731 518587598 /nfs/dbraw/zinc/58/75/98/518587598.db2.gz UJXGDBTUUWCZLZ-GHVJWSGMSA-N 0 0 416.865 5.609 50 30 HKEARN CCOc1ccccc1/C=C1\CN(C(C)C)C/C(=C\c2ccccc2OCC)C1=O ZINC000025760887 521447494 /nfs/dbraw/zinc/44/74/94/521447494.db2.gz ZOTPZLVTSZRPGM-QAOSGDJLSA-N 0 0 405.538 5.244 50 30 HKEARN N#Cc1c2c(sc1C1=NNc3cc(Cl)c(Cl)cc3N1O)CCCCCC2 ZINC000025763563 132487138 /nfs/dbraw/zinc/48/71/38/132487138.db2.gz YEHCQEYVIVCGLD-UHFFFAOYSA-N 0 0 407.326 5.568 50 30 HKEARN Brc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000025782622 518213750 /nfs/dbraw/zinc/21/37/50/518213750.db2.gz RUBDJIHMDVZRMW-BUVRLJJBSA-N 0 0 417.310 5.748 50 30 HKEARN O=[N+]([O-])c1ccc(-n2cc(C=NNc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC000025783032 527344024 /nfs/dbraw/zinc/34/40/24/527344024.db2.gz PQFIUEKNBSDOPU-ZVHZXABRSA-N 0 0 417.856 5.547 50 30 HKEARN O=[N+]([O-])c1ccc(-n2cc(C=NNc3cccc(Cl)c3)c(-c3ccccc3)n2)cc1 ZINC000025783056 527344428 /nfs/dbraw/zinc/34/44/28/527344428.db2.gz JQZWQCYHYRZVHY-ZVHZXABRSA-N 0 0 417.856 5.547 50 30 HKEARN O=[N+]([O-])c1ccc(-n2cc(C=NNc3ccccc3Cl)c(-c3ccccc3)n2)cc1 ZINC000025783094 527344897 /nfs/dbraw/zinc/34/48/97/527344897.db2.gz NGPIIJKMNWDMER-ZVHZXABRSA-N 0 0 417.856 5.547 50 30 HKEARN Cc1sc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(C#N)c1C ZINC000025899375 568933873 /nfs/dbraw/zinc/93/38/73/568933873.db2.gz VNLUGTWMZYIJKT-UHFFFAOYSA-N 0 0 412.518 5.401 50 30 HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000025988848 568987647 /nfs/dbraw/zinc/98/76/47/568987647.db2.gz GMRQFYUYWCNGIN-VGEPUXBGSA-N 0 0 416.646 5.705 50 30 HKEARN CCCc1nc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)cs1 ZINC000026048988 569004231 /nfs/dbraw/zinc/00/42/31/569004231.db2.gz GJQHEYFLMDWOOR-UHFFFAOYSA-N 0 0 408.552 5.215 50 30 HKEARN C=CCn1c(=O)c2sccc2nc1SCc1coc(-c2cccc(Cl)c2)n1 ZINC000026117820 519164220 /nfs/dbraw/zinc/16/42/20/519164220.db2.gz FUVZRYHVHQUZPG-UHFFFAOYSA-N 0 0 415.927 5.245 50 30 HKEARN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 ZINC000026231204 520133006 /nfs/dbraw/zinc/13/30/06/520133006.db2.gz AQIMLYAEMNGJQC-CMDGGOBGSA-N 0 0 400.500 5.280 50 30 HKEARN O=C(/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1)c1ccccc1Cl ZINC000026770677 527590929 /nfs/dbraw/zinc/59/09/29/527590929.db2.gz WDQAZJGTELYVHS-GHRIWEEISA-N 0 0 404.809 5.813 50 30 HKEARN Cc1ccc(-c2nc(CC#N)sc2NC(=O)c2ccc(Br)cc2)cc1 ZINC000026779604 525804525 /nfs/dbraw/zinc/80/45/25/525804525.db2.gz ZDZDPJVHUOHNEN-UHFFFAOYSA-N 0 0 412.312 5.199 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000026963361 527360655 /nfs/dbraw/zinc/36/06/55/527360655.db2.gz BSIICXHGXSNQIU-UKWGHVSLSA-N 0 0 421.196 5.516 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000026963371 527360731 /nfs/dbraw/zinc/36/07/31/527360731.db2.gz PBDMZGCAFNAXMX-UKWGHVSLSA-N 0 0 421.196 5.516 50 30 HKEARN Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)c(C)c1 ZINC000026963405 524211136 /nfs/dbraw/zinc/21/11/36/524211136.db2.gz BGGRGNJWEGVYIA-UHFFFAOYSA-N 0 0 412.533 5.806 50 30 HKEARN O=C(/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000026967920 527591002 /nfs/dbraw/zinc/59/10/02/527591002.db2.gz GIGNMMHBOUVZCZ-ATVHPVEESA-N 0 0 415.323 5.253 50 30 HKEARN C=CCn1c(-c2ccccc2)c(NC(=O)OCC)sc1=Nc1ccc(OCC)cc1 ZINC000027015718 519149818 /nfs/dbraw/zinc/14/98/18/519149818.db2.gz UOWXNQNPQGKOCZ-GYHWCHFESA-N 0 0 423.538 5.602 50 30 HKEARN Cc1ccc(-c2nc(N=NCc3ccccc3)sc2NC(=O)c2ccco2)cc1 ZINC000027015859 525816926 /nfs/dbraw/zinc/81/69/26/525816926.db2.gz BHUZFPBHJYIVMY-OEAKJJBVSA-N 0 0 402.479 5.410 50 30 HKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1cccc(Cl)c1 ZINC000027015874 519148401 /nfs/dbraw/zinc/14/84/01/519148401.db2.gz UOFYYEMAZWKPIK-GYHWCHFESA-N 0 0 411.958 5.945 50 30 HKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(OCC)cc1 ZINC000027015907 519148100 /nfs/dbraw/zinc/14/81/00/519148100.db2.gz UOQUGVYXJGTDFB-BZZOAKBMSA-N 0 0 407.539 5.301 50 30 HKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1ccc(OCC)cc1 ZINC000027016011 519148093 /nfs/dbraw/zinc/14/80/93/519148093.db2.gz WSOIZLDCPYDOFF-IZHYLOQSSA-N 0 0 421.566 5.691 50 30 HKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(C)cc1 ZINC000027016038 519149592 /nfs/dbraw/zinc/14/95/92/519149592.db2.gz BZUDVFYCUISTDF-IZHYLOQSSA-N 0 0 415.518 5.789 50 30 HKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S ZINC000027018223 518828437 /nfs/dbraw/zinc/82/84/37/518828437.db2.gz GIQVPKVSCFNYCJ-ZHZULCJRSA-N 0 0 417.559 5.235 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000027018888 523534842 /nfs/dbraw/zinc/53/48/42/523534842.db2.gz LMTLMMGUVAQUHT-XMHGGMMESA-N 0 0 400.390 5.168 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C\c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000027019113 520326643 /nfs/dbraw/zinc/32/66/43/520326643.db2.gz OXEYEXKFNKBLKI-OQKWZONESA-N 0 0 413.473 6.049 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000027019123 520325739 /nfs/dbraw/zinc/32/57/39/520325739.db2.gz KATRBCWBLDPUAI-LTGZKZEYSA-N 0 0 417.892 6.694 50 30 HKEARN C=CCOc1ccc(-c2nnc(-c3sc4cccc(Cl)c4c3Cl)o2)cc1 ZINC000027021144 519009041 /nfs/dbraw/zinc/00/90/41/519009041.db2.gz FVPFIZYLKONDOR-UHFFFAOYSA-N 0 0 403.290 6.490 50 30 HKEARN Cc1ccc(-c2nc(C#N)c(N=NCc3ccc(-c4ccccc4Cl)o3)o2)cc1 ZINC000027024615 525797796 /nfs/dbraw/zinc/79/77/96/525797796.db2.gz BCCSAXFJCZBAPP-DHRITJCHSA-N 0 0 402.841 5.881 50 30 HKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000027025641 520871100 /nfs/dbraw/zinc/87/11/00/520871100.db2.gz YUABNRMOHHIGJQ-OQKWZONESA-N 0 0 412.489 5.716 50 30 HKEARN CCOc1ccc(C(=O)/C(=C\C=C\c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000027025947 520871385 /nfs/dbraw/zinc/87/13/85/520871385.db2.gz BTWLVHGQRLZILR-VNNYSTBCSA-N 0 0 411.526 6.675 50 30 HKEARN O=C(C(=NNc1cc(C(F)(F)F)ccc1Cl)C(=O)C(F)(F)F)c1ccccc1 ZINC000027026958 527593149 /nfs/dbraw/zinc/59/31/49/527593149.db2.gz MNKUSBSIVOMHRM-LGJNPRDNSA-N 0 0 422.712 5.141 50 30 HKEARN CC(=C\c1ccccc1)/C=C1/S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O ZINC000027229205 519349380 /nfs/dbraw/zinc/34/93/80/519349380.db2.gz SCWDNDBWHVYYLD-GRALHKOYSA-N 0 0 422.859 6.197 50 30 HKEARN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Cl)ccc1O ZINC000027468524 526796596 /nfs/dbraw/zinc/79/65/96/526796596.db2.gz NEFDUONYNNDZLW-FSJBWODESA-N 0 0 414.686 5.790 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1nc2ccccc2[nH]1 ZINC000027471285 527139838 /nfs/dbraw/zinc/13/98/38/527139838.db2.gz CCHVZDDHAPTVAX-BUHFOSPRSA-N 0 0 423.903 6.636 50 30 HKEARN CC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccccc4Cl)NC3=O)o2)cc1 ZINC000027472570 518295503 /nfs/dbraw/zinc/29/55/03/518295503.db2.gz UHTGXEFMMJPXLP-NDENLUEZSA-N 0 0 422.893 5.694 50 30 HKEARN COc1cccc(CC=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000027496225 525760056 /nfs/dbraw/zinc/76/00/56/525760056.db2.gz JMWNMKXELBPZGO-LGLNLBIISA-N 0 0 418.409 5.041 50 30 HKEARN Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(SCc3ccccc3)nc12 ZINC000027496679 525458502 /nfs/dbraw/zinc/45/85/02/525458502.db2.gz AOWKZURRTKETGC-AFUMVMLFSA-N 0 0 419.937 5.699 50 30 HKEARN O=C(Cc1ccccc1)ON[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000027498903 527283505 /nfs/dbraw/zinc/28/35/05/527283505.db2.gz CATYOEAHIGWNKR-LJQANCHMSA-N 0 0 423.727 5.239 50 30 HKEARN O=C(Cc1ccccc1)ON[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000027498908 527283128 /nfs/dbraw/zinc/28/31/28/527283128.db2.gz CATYOEAHIGWNKR-IBGZPJMESA-N 0 0 423.727 5.239 50 30 HKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 ZINC000027500042 524245957 /nfs/dbraw/zinc/24/59/57/524245957.db2.gz KMRGZYCWFGZUSJ-YPRVEJFFSA-N 0 0 423.541 6.593 50 30 HKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000027501233 527354710 /nfs/dbraw/zinc/35/47/10/527354710.db2.gz CTHNGPSVVAQGBJ-ZVBGSRNCSA-N 0 0 410.644 6.261 50 30 HKEARN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(Br)cc1 ZINC000027519402 526096848 /nfs/dbraw/zinc/09/68/48/526096848.db2.gz GHXCRRYZNYMNCH-ZVHZXABRSA-N 0 0 419.326 5.851 50 30 HKEARN COc1ccc(CN=Nc2c(F)c(F)cc(F)c2F)cc1CSc1ccccn1 ZINC000027520754 523444757 /nfs/dbraw/zinc/44/47/57/523444757.db2.gz LRPPYDUBQPEYQN-NSKAYECMSA-N 0 0 421.419 5.385 50 30 HKEARN N#Cc1c2c(sc1N1C(=O)Nc3cc(Cl)c(Cl)cc3N1O)CCCCC2 ZINC000027527865 569364112 /nfs/dbraw/zinc/36/41/12/569364112.db2.gz MJFPODSCRGQGCI-UHFFFAOYSA-N 0 0 409.298 5.358 50 30 HKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000027527969 569364114 /nfs/dbraw/zinc/36/41/14/569364114.db2.gz RLJDRODNRDFUTE-BKUYFWCQSA-N 0 0 421.953 5.948 50 30 HKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)cc1 ZINC000027528320 569364251 /nfs/dbraw/zinc/36/42/51/569364251.db2.gz JLAODTGBEBKSJB-UHFFFAOYSA-N 0 0 423.541 6.275 50 30 HKEARN CC(C)(C)c1ccc(C(=O)On2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000027528455 519023288 /nfs/dbraw/zinc/02/32/88/519023288.db2.gz HUPDVCUIWQAWQT-UHFFFAOYSA-N 0 0 404.510 5.011 50 30 HKEARN CCCc1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000027532344 569367549 /nfs/dbraw/zinc/36/75/49/569367549.db2.gz XECGDZSGQUNHHU-UHFFFAOYSA-N 0 0 417.559 5.827 50 30 HKEARN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc(F)cc1 ZINC000027533687 527041016 /nfs/dbraw/zinc/04/10/16/527041016.db2.gz ZGTDCERTYWXVPS-VGOFMYFVSA-N 0 0 400.784 5.390 50 30 HKEARN COc1ccccc1/C=C1/S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000027533690 524322897 /nfs/dbraw/zinc/32/28/97/524322897.db2.gz ZSQXLHDFMIDYJU-OVCLIPMQSA-N 0 0 412.820 5.259 50 30 HKEARN CC(=C\c1ccccc1)/C=C1/S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000027533702 519347962 /nfs/dbraw/zinc/34/79/62/519347962.db2.gz IXPCPCNUBMTCOP-GRALHKOYSA-N 0 0 422.859 6.197 50 30 HKEARN Cn1cc(/C=C2/S/C(=N\c3cc(Cl)cc(Cl)c3)NC2=O)c2ccccc21 ZINC000027533724 527144529 /nfs/dbraw/zinc/14/45/29/527144529.db2.gz ANPDFCKMZBGFJL-UBKPWBPPSA-N 0 0 402.306 5.377 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000027534050 519910656 /nfs/dbraw/zinc/91/06/56/519910656.db2.gz AVNSKZHPWGBTPG-DEOSSOPVSA-N 0 0 419.481 5.292 50 30 HKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000027534053 519911282 /nfs/dbraw/zinc/91/12/82/519911282.db2.gz AVNSKZHPWGBTPG-XMMPIXPASA-N 0 0 419.481 5.292 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000027547060 520811287 /nfs/dbraw/zinc/81/12/87/520811287.db2.gz SMEUUKBWOOZFHV-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000027547067 520809657 /nfs/dbraw/zinc/80/96/57/520809657.db2.gz GBYZBHQJFOOXOE-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000027547150 520811710 /nfs/dbraw/zinc/81/17/10/520811710.db2.gz JLQLEDUHFSOZST-NRFANRHFSA-N 0 0 410.876 5.086 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000027547153 520803433 /nfs/dbraw/zinc/80/34/33/520803433.db2.gz WUHQRSFDORRTPU-OAQYLSRUSA-N 0 0 410.876 5.086 50 30 HKEARN Cc1ccsc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027547694 525891619 /nfs/dbraw/zinc/89/16/19/525891619.db2.gz IKBABLHPJMLULI-NRFANRHFSA-N 0 0 424.541 5.438 50 30 HKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547836 520812082 /nfs/dbraw/zinc/81/20/82/520812082.db2.gz JSTGVNQXHXVDMN-QFIPXVFZSA-N 0 0 404.485 5.068 50 30 HKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547840 520810138 /nfs/dbraw/zinc/81/01/38/520810138.db2.gz VPVVFUAZZAFEJM-QFIPXVFZSA-N 0 0 404.485 5.068 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547848 520804778 /nfs/dbraw/zinc/80/47/78/520804778.db2.gz RIMBQFBTDJNNRP-JOCHJYFZSA-N 0 0 422.475 5.208 50 30 HKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547852 520805401 /nfs/dbraw/zinc/80/54/01/520805401.db2.gz RIMBQFBTDJNNRP-QFIPXVFZSA-N 0 0 422.475 5.208 50 30 HKEARN N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccc2c(c1)OCO2 ZINC000027562279 569373301 /nfs/dbraw/zinc/37/33/01/569373301.db2.gz WPSPNPIVQMIBMO-UHFFFAOYSA-N 0 0 409.445 5.067 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3cccc(OCCC)c3)o2)CC1 ZINC000027562427 519921325 /nfs/dbraw/zinc/92/13/25/519921325.db2.gz MBNAXGVAIWZCNT-YZSQISJMSA-N 0 0 408.546 6.245 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(C(=O)OC)cc3)o2)CC1 ZINC000027562434 519921360 /nfs/dbraw/zinc/92/13/60/519921360.db2.gz XNFFWYHVMAMQIE-MFKUBSTISA-N 0 0 408.502 5.243 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000027562567 519921164 /nfs/dbraw/zinc/92/11/64/519921164.db2.gz FUUNHCVJXOGOAH-DHRITJCHSA-N 0 0 419.356 6.763 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3c(Cl)cccc3Cl)o2)CC1 ZINC000027562579 519921504 /nfs/dbraw/zinc/92/15/04/519921504.db2.gz TTWMBUUCYADXRX-DHRITJCHSA-N 0 0 419.356 6.763 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000027562585 519920917 /nfs/dbraw/zinc/92/09/17/519920917.db2.gz JDRBWQQVIVYOSJ-WPWMEQJKSA-N 0 0 406.574 6.754 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3c(F)cccc3Cl)o2)CC1 ZINC000027562598 519921417 /nfs/dbraw/zinc/92/14/17/519921417.db2.gz HMSROBJIWPPYOM-DHRITJCHSA-N 0 0 402.901 6.249 50 30 HKEARN N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027562646 569373284 /nfs/dbraw/zinc/37/32/84/569373284.db2.gz JQHRXYPMPSRNJY-GOSISDBHSA-N 0 0 412.946 5.567 50 30 HKEARN N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027562649 569373342 /nfs/dbraw/zinc/37/33/42/569373342.db2.gz JQHRXYPMPSRNJY-SFHVURJKSA-N 0 0 412.946 5.567 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccccc1C(F)(F)F ZINC000027570138 520272719 /nfs/dbraw/zinc/27/27/19/520272719.db2.gz SPAZTGVIGWQNDX-HSZRJFAPSA-N 0 0 422.450 6.563 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccccc1C(F)(F)F ZINC000027570142 520273570 /nfs/dbraw/zinc/27/35/70/520273570.db2.gz SPAZTGVIGWQNDX-QHCPKHFHSA-N 0 0 422.450 6.563 50 30 HKEARN Cc1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1 ZINC000027570909 569374569 /nfs/dbraw/zinc/37/45/69/569374569.db2.gz IRKFZXQBWHVOTJ-UHFFFAOYSA-N 0 0 418.909 5.192 50 30 HKEARN O=C1CCCC2=C1C(c1ccc(OCc3ccc(F)cc3)cc1)C1=C(CCCC1=O)N2 ZINC000027572021 526966339 /nfs/dbraw/zinc/96/63/39/526966339.db2.gz XRUVUNDUDFOXOG-UHFFFAOYSA-N 0 0 417.480 5.106 50 30 HKEARN CCCCOc1ccc(NC2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000027572186 520889857 /nfs/dbraw/zinc/88/98/57/520889857.db2.gz ZKLUWWCIOBDDBW-UHFFFAOYSA-N 0 0 418.537 5.491 50 30 HKEARN CCCCCOc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000027572200 520255493 /nfs/dbraw/zinc/25/54/93/520255493.db2.gz JKJNFSUYWHKMGY-UHFFFAOYSA-N 0 0 404.510 5.054 50 30 HKEARN CCCCCOc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000027572203 520255017 /nfs/dbraw/zinc/25/50/17/520255017.db2.gz BUAFTGYHSFUNGV-UHFFFAOYSA-N 0 0 418.537 5.444 50 30 HKEARN CCCCCOc1ccc(N(C(C)=O)C2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000027572217 520256013 /nfs/dbraw/zinc/25/60/13/520256013.db2.gz QSKINUKTOSCILS-UHFFFAOYSA-N 0 0 411.885 5.138 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CNC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000027654112 558677792 /nfs/dbraw/zinc/67/77/92/558677792.db2.gz GJPXGFGIFQWUOC-ACFHMISVSA-N 0 0 413.131 5.940 50 30 HKEARN COc1ccc(-c2nsc(NC(=O)c3sc4cc(C)ccc4c3Cl)n2)cc1 ZINC000027662941 523307578 /nfs/dbraw/zinc/30/75/78/523307578.db2.gz FSLVBFNPTSVARZ-UHFFFAOYSA-N 0 0 415.927 6.027 50 30 HKEARN C=CCOC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C ZINC000027748528 518979246 /nfs/dbraw/zinc/97/92/46/518979246.db2.gz ZWOIPWUNLNLGEM-UHFFFAOYSA-N 0 0 410.879 5.054 50 30 HKEARN CCCCSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 ZINC000027748536 520977959 /nfs/dbraw/zinc/97/79/59/520977959.db2.gz OXPLXPZCRPRRMO-UHFFFAOYSA-N 0 0 401.941 6.074 50 30 HKEARN C=C(Br)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000027792770 518585800 /nfs/dbraw/zinc/58/58/00/518585800.db2.gz GRQWTIBSISTXSF-KRWDZBQOSA-N 0 0 424.342 5.028 50 30 HKEARN C=C(Br)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000027792772 518584585 /nfs/dbraw/zinc/58/45/85/518584585.db2.gz GRQWTIBSISTXSF-QGZVFWFLSA-N 0 0 424.342 5.028 50 30 HKEARN CN(C)[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1Cl ZINC000027991163 568775878 /nfs/dbraw/zinc/77/58/78/568775878.db2.gz MICDALOUKFQJOL-SFHVURJKSA-N 0 0 401.297 5.235 50 30 HKEARN CN(C)[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1Cl ZINC000027991168 568775833 /nfs/dbraw/zinc/77/58/33/568775833.db2.gz MICDALOUKFQJOL-GOSISDBHSA-N 0 0 401.297 5.235 50 30 HKEARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000028048824 520128045 /nfs/dbraw/zinc/12/80/45/520128045.db2.gz ARYNNZVAWJBJIC-UHFFFAOYSA-N 0 0 405.376 5.291 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000028051653 521274805 /nfs/dbraw/zinc/27/48/05/521274805.db2.gz HRFQEIHFPYOAEI-JPYJTQIMSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000028051655 521249289 /nfs/dbraw/zinc/24/92/89/521249289.db2.gz HRFQEIHFPYOAEI-WZONZLPQSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000028051657 521275678 /nfs/dbraw/zinc/27/56/78/521275678.db2.gz HRFQEIHFPYOAEI-MBSDFSHPSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000028051659 521248487 /nfs/dbraw/zinc/24/84/87/521248487.db2.gz HRFQEIHFPYOAEI-FDDCHVKYSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000028051661 521591527 /nfs/dbraw/zinc/59/15/27/521591527.db2.gz GEXMNKHZKYXEDO-HXOBKFHXSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000028051663 521580583 /nfs/dbraw/zinc/58/05/83/521580583.db2.gz GEXMNKHZKYXEDO-UZUQRXQVSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000028051665 521592508 /nfs/dbraw/zinc/59/25/08/521592508.db2.gz GEXMNKHZKYXEDO-SBUREZEXSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000028051667 521581276 /nfs/dbraw/zinc/58/12/76/521581276.db2.gz GEXMNKHZKYXEDO-GAJHUEQPSA-N 0 0 400.478 5.340 50 30 HKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000028051699 520787439 /nfs/dbraw/zinc/78/74/39/520787439.db2.gz KYIDQJQFMYKYMT-HXOBKFHXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000028051701 520779817 /nfs/dbraw/zinc/77/98/17/520779817.db2.gz KYIDQJQFMYKYMT-UZUQRXQVSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000028051703 520787465 /nfs/dbraw/zinc/78/74/65/520787465.db2.gz KYIDQJQFMYKYMT-SBUREZEXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000028051705 520779441 /nfs/dbraw/zinc/77/94/41/520779441.db2.gz KYIDQJQFMYKYMT-GAJHUEQPSA-N 0 0 416.477 5.046 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052041 526676718 /nfs/dbraw/zinc/67/67/18/526676718.db2.gz YCJRNQQITCZIIR-VGSWGCGISA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052043 526675150 /nfs/dbraw/zinc/67/51/50/526675150.db2.gz YCJRNQQITCZIIR-VGOFRKELSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052045 526676612 /nfs/dbraw/zinc/67/66/12/526676612.db2.gz YCJRNQQITCZIIR-JTSKRJEESA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052047 526675759 /nfs/dbraw/zinc/67/57/59/526675759.db2.gz YCJRNQQITCZIIR-HTAPYJJXSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(C)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052049 526676343 /nfs/dbraw/zinc/67/63/43/526676343.db2.gz WJEOEEQIPBTPSI-VGSWGCGISA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(C)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052051 526675435 /nfs/dbraw/zinc/67/54/35/526675435.db2.gz WJEOEEQIPBTPSI-VGOFRKELSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(C)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052052 526676245 /nfs/dbraw/zinc/67/62/45/526676245.db2.gz WJEOEEQIPBTPSI-JTSKRJEESA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(C)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052054 526675377 /nfs/dbraw/zinc/67/53/77/526675377.db2.gz WJEOEEQIPBTPSI-HTAPYJJXSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1ccccc1C)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052056 526676523 /nfs/dbraw/zinc/67/65/23/526676523.db2.gz PGAJYXAIGKQJDG-ZHRRBRCNSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1ccccc1C)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052058 526675717 /nfs/dbraw/zinc/67/57/17/526675717.db2.gz PGAJYXAIGKQJDG-OPAMFIHVSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1ccccc1C)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052060 526676258 /nfs/dbraw/zinc/67/62/58/526676258.db2.gz PGAJYXAIGKQJDG-AOMKIAJQSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@@H](c1ccccc1C)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052062 526675354 /nfs/dbraw/zinc/67/53/54/526675354.db2.gz PGAJYXAIGKQJDG-KSFYIVLOSA-N 0 0 404.897 5.903 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052064 526676787 /nfs/dbraw/zinc/67/67/87/526676787.db2.gz DOHBQUIEXXHYSP-BTYIYWSLSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052066 526675225 /nfs/dbraw/zinc/67/52/25/526675225.db2.gz DOHBQUIEXXHYSP-YCRPNKLZSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052068 526676579 /nfs/dbraw/zinc/67/65/79/526676579.db2.gz DOHBQUIEXXHYSP-VFNWGFHPSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052070 526675265 /nfs/dbraw/zinc/67/52/65/526675265.db2.gz DOHBQUIEXXHYSP-QVKFZJNVSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052072 526676587 /nfs/dbraw/zinc/67/65/87/526676587.db2.gz KCNFZEJZAAUODM-BTYIYWSLSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052074 526675869 /nfs/dbraw/zinc/67/58/69/526675869.db2.gz KCNFZEJZAAUODM-YCRPNKLZSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052076 526676521 /nfs/dbraw/zinc/67/65/21/526676521.db2.gz KCNFZEJZAAUODM-VFNWGFHPSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000028052077 526675564 /nfs/dbraw/zinc/67/55/64/526675564.db2.gz KCNFZEJZAAUODM-QVKFZJNVSA-N 0 0 408.860 5.734 50 30 HKEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052142 525439230 /nfs/dbraw/zinc/43/92/30/525439230.db2.gz AVMMHNBMYYHEIJ-ZHRRBRCNSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052143 525278145 /nfs/dbraw/zinc/27/81/45/525278145.db2.gz AVMMHNBMYYHEIJ-OPAMFIHVSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052144 525438415 /nfs/dbraw/zinc/43/84/15/525438415.db2.gz AVMMHNBMYYHEIJ-AOMKIAJQSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052146 525276951 /nfs/dbraw/zinc/27/69/51/525276951.db2.gz AVMMHNBMYYHEIJ-KSFYIVLOSA-N 0 0 420.896 5.603 50 30 HKEARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000028052148 524188721 /nfs/dbraw/zinc/18/87/21/524188721.db2.gz RHHMQFYLSLGZGK-ZHRRBRCNSA-N 0 0 420.896 5.603 50 30 HKEARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000028052150 524136193 /nfs/dbraw/zinc/13/61/93/524136193.db2.gz RHHMQFYLSLGZGK-OPAMFIHVSA-N 0 0 420.896 5.603 50 30 HKEARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000028052152 524188245 /nfs/dbraw/zinc/18/82/45/524188245.db2.gz RHHMQFYLSLGZGK-AOMKIAJQSA-N 0 0 420.896 5.603 50 30 HKEARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000028052154 524136072 /nfs/dbraw/zinc/13/60/72/524136072.db2.gz RHHMQFYLSLGZGK-KSFYIVLOSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000028052156 524819358 /nfs/dbraw/zinc/81/93/58/524819358.db2.gz CDJZLVVDXYBYDN-QRQCRPRQSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000028052158 524763449 /nfs/dbraw/zinc/76/34/49/524763449.db2.gz CDJZLVVDXYBYDN-IVZQSRNASA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000028052160 524818627 /nfs/dbraw/zinc/81/86/27/524818627.db2.gz CDJZLVVDXYBYDN-NYHFZMIOSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000028052162 524763544 /nfs/dbraw/zinc/76/35/44/524763544.db2.gz CDJZLVVDXYBYDN-OYHNWAKOSA-N 0 0 420.896 5.603 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1 ZINC000028052319 525234298 /nfs/dbraw/zinc/23/42/98/525234298.db2.gz SNINQDVZBVWMFP-MBSDFSHPSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1 ZINC000028052321 525400874 /nfs/dbraw/zinc/40/08/74/525400874.db2.gz SNINQDVZBVWMFP-JPYJTQIMSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1 ZINC000028052323 525234514 /nfs/dbraw/zinc/23/45/14/525234514.db2.gz SNINQDVZBVWMFP-FDDCHVKYSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1 ZINC000028052325 525400717 /nfs/dbraw/zinc/40/07/17/525400717.db2.gz SNINQDVZBVWMFP-WZONZLPQSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1 ZINC000028052327 525235629 /nfs/dbraw/zinc/23/56/29/525235629.db2.gz MWLCEVSNBILXBZ-MBSDFSHPSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1 ZINC000028052329 525401031 /nfs/dbraw/zinc/40/10/31/525401031.db2.gz MWLCEVSNBILXBZ-JPYJTQIMSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1 ZINC000028052331 525235094 /nfs/dbraw/zinc/23/50/94/525235094.db2.gz MWLCEVSNBILXBZ-FDDCHVKYSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1 ZINC000028052333 525400942 /nfs/dbraw/zinc/40/09/42/525400942.db2.gz MWLCEVSNBILXBZ-WZONZLPQSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1 ZINC000028052335 525235595 /nfs/dbraw/zinc/23/55/95/525235595.db2.gz WVLLAZBNCAQUGN-SBUREZEXSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1 ZINC000028052337 525400948 /nfs/dbraw/zinc/40/09/48/525400948.db2.gz WVLLAZBNCAQUGN-HXOBKFHXSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1 ZINC000028052339 525234195 /nfs/dbraw/zinc/23/41/95/525234195.db2.gz WVLLAZBNCAQUGN-GAJHUEQPSA-N 0 0 400.478 5.258 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1 ZINC000028052341 525401830 /nfs/dbraw/zinc/40/18/30/525401830.db2.gz WVLLAZBNCAQUGN-UZUQRXQVSA-N 0 0 400.478 5.258 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053028 526676465 /nfs/dbraw/zinc/67/64/65/526676465.db2.gz BYGUIYPNICKZQB-BTYIYWSLSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053030 526675624 /nfs/dbraw/zinc/67/56/24/526675624.db2.gz BYGUIYPNICKZQB-YCRPNKLZSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053032 526676769 /nfs/dbraw/zinc/67/67/69/526676769.db2.gz BYGUIYPNICKZQB-VFNWGFHPSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053034 526675489 /nfs/dbraw/zinc/67/54/89/526675489.db2.gz BYGUIYPNICKZQB-QVKFZJNVSA-N 0 0 406.869 5.300 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000028053036 521275195 /nfs/dbraw/zinc/27/51/95/521275195.db2.gz XARRJBAMLCCCOQ-HXOBKFHXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1 ZINC000028053038 521247930 /nfs/dbraw/zinc/24/79/30/521247930.db2.gz XARRJBAMLCCCOQ-UZUQRXQVSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000028053040 521275892 /nfs/dbraw/zinc/27/58/92/521275892.db2.gz XARRJBAMLCCCOQ-SBUREZEXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1 ZINC000028053042 521248693 /nfs/dbraw/zinc/24/86/93/521248693.db2.gz XARRJBAMLCCCOQ-GAJHUEQPSA-N 0 0 416.477 5.046 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053044 526676391 /nfs/dbraw/zinc/67/63/91/526676391.db2.gz JZSUKINEHDPONO-DVECYGJZSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053046 526675658 /nfs/dbraw/zinc/67/56/58/526675658.db2.gz JZSUKINEHDPONO-NTKDMRAZSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053048 526676455 /nfs/dbraw/zinc/67/64/55/526676455.db2.gz JZSUKINEHDPONO-CYFREDJKSA-N 0 0 414.505 5.770 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000028053050 526675439 /nfs/dbraw/zinc/67/54/39/526675439.db2.gz JZSUKINEHDPONO-YADARESESA-N 0 0 414.505 5.770 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182418 521649107 /nfs/dbraw/zinc/64/91/07/521649107.db2.gz SPPHAFURTQONOK-UCQKPKSFSA-N 0 0 404.510 5.122 50 30 HKEARN Cn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000028182437 523344061 /nfs/dbraw/zinc/34/40/61/523344061.db2.gz NEPZRGCKQFLNGT-QFEZKATASA-N 0 0 424.500 5.132 50 30 HKEARN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 ZINC000028182461 524106672 /nfs/dbraw/zinc/10/66/72/524106672.db2.gz PTOXLSIGILQCHH-ZMFRSBBQSA-N 0 0 409.485 5.990 50 30 HKEARN Cn1cc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 ZINC000028182469 527145219 /nfs/dbraw/zinc/14/52/19/527145219.db2.gz QCAMHPUNGSPIBN-MSXFZWOLSA-N 0 0 415.876 6.027 50 30 HKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 ZINC000028182512 524118861 /nfs/dbraw/zinc/11/88/61/524118861.db2.gz LVCXSIXFUHNNCV-MXAYSNPKSA-N 0 0 411.457 5.382 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c2ccccc21 ZINC000028182528 523307567 /nfs/dbraw/zinc/30/75/67/523307567.db2.gz UVHCOGKSLKLNKX-YSMPRRRNSA-N 0 0 423.512 6.473 50 30 HKEARN Cc1ccc(C)c(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 ZINC000028182536 524106099 /nfs/dbraw/zinc/10/60/99/524106099.db2.gz RIEISXWLFJQRSI-WGARJPEWSA-N 0 0 423.512 6.299 50 30 HKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c2ccccc21 ZINC000028182537 523309804 /nfs/dbraw/zinc/30/98/04/523309804.db2.gz KBYMHNJAXCWWFR-WGARJPEWSA-N 0 0 409.485 6.165 50 30 HKEARN Cc1ccccc1COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182541 525175605 /nfs/dbraw/zinc/17/56/05/525175605.db2.gz REDADJXGYCTPTK-QFEZKATASA-N 0 0 409.485 5.990 50 30 HKEARN CCn1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c2ccccc21 ZINC000028182543 523310389 /nfs/dbraw/zinc/31/03/89/523310389.db2.gz OBMBWJQBNAPZJI-VYYCAZPPSA-N 0 0 423.512 6.473 50 30 HKEARN Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 ZINC000028182546 524630761 /nfs/dbraw/zinc/63/07/61/524630761.db2.gz MPWZQLCJDVRCPT-QFEZKATASA-N 0 0 409.485 5.990 50 30 HKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 ZINC000028182575 523309857 /nfs/dbraw/zinc/30/98/57/523309857.db2.gz UVSLAGFVPUQWRN-MXAYSNPKSA-N 0 0 413.448 5.996 50 30 HKEARN Cc1c2c(ccc1OCc1ccccc1F)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182581 525934276 /nfs/dbraw/zinc/93/42/76/525934276.db2.gz CYHVDMAMLYLXMA-CFRMEGHHSA-N 0 0 413.448 5.821 50 30 HKEARN Cc1c2c(ccc1OCc1ccc(F)cc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182617 525935045 /nfs/dbraw/zinc/93/50/45/525935045.db2.gz NEVFHIIBVZIUSO-CFRMEGHHSA-N 0 0 413.448 5.821 50 30 HKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 ZINC000028182643 526061835 /nfs/dbraw/zinc/06/18/35/526061835.db2.gz RPCHOIJFIFWSDU-MXAYSNPKSA-N 0 0 411.457 5.382 50 30 HKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC=C(C)C)c3C)C1=O)cn2C ZINC000028182670 525599806 /nfs/dbraw/zinc/59/98/06/525599806.db2.gz NFHHSNQYHXVOLG-FMCGGJTJSA-N 0 0 403.478 5.457 50 30 HKEARN CCn1cc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182686 523310315 /nfs/dbraw/zinc/31/03/15/523310315.db2.gz LJZLUPXODPGMAT-MSXFZWOLSA-N 0 0 403.478 5.631 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182694 523307018 /nfs/dbraw/zinc/30/70/18/523307018.db2.gz WYTMOXFNGAVDGR-CFRMEGHHSA-N 0 0 417.505 5.939 50 30 HKEARN C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000028182698 518617546 /nfs/dbraw/zinc/61/75/46/518617546.db2.gz SREFBILUHULBKQ-KSEXSDGBSA-N 0 0 403.478 5.549 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2ccccc21 ZINC000028182773 523307776 /nfs/dbraw/zinc/30/77/76/523307776.db2.gz RVUQFKZGAIBBJW-OYKKKHCWSA-N 0 0 416.521 5.215 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2ccccc21 ZINC000028182781 523306685 /nfs/dbraw/zinc/30/66/85/523306685.db2.gz RGVCCDYOTZZXDO-ZKDCOOFMSA-N 0 0 416.521 5.215 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2ccccc21 ZINC000028182783 523308172 /nfs/dbraw/zinc/30/81/72/523308172.db2.gz RGVCCDYOTZZXDO-GHRPQRKGSA-N 0 0 416.521 5.215 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2 ZINC000028182830 521649255 /nfs/dbraw/zinc/64/92/55/521649255.db2.gz KFRKJPAFRNEXTN-IWIPYMOSSA-N 0 0 418.537 5.605 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000028182832 568781785 /nfs/dbraw/zinc/78/17/85/568781785.db2.gz YTEIWYKHMFUXPU-PDESAOGPSA-N 0 0 416.521 5.357 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2ccccc21 ZINC000028182834 523307873 /nfs/dbraw/zinc/30/78/73/523307873.db2.gz YTEIWYKHMFUXPU-SNNLMFDCSA-N 0 0 416.521 5.357 50 30 HKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2 ZINC000028182845 520418477 /nfs/dbraw/zinc/41/84/77/520418477.db2.gz ULSHRMKFWYKLSU-UCQKPKSFSA-N 0 0 404.510 5.215 50 30 HKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2ccccc21 ZINC000028182857 523308415 /nfs/dbraw/zinc/30/84/15/523308415.db2.gz FPBPGGZZOOJIHH-IWIPYMOSSA-N 0 0 416.521 5.359 50 30 HKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2ccccc2Cl)o1 ZINC000028294217 527327426 /nfs/dbraw/zinc/32/74/26/527327426.db2.gz IGMSOCCHKIDZBS-AUEPDCJTSA-N 0 0 409.751 5.973 50 30 HKEARN CN(C)c1ccc(-c2c3c(nc4c2/C(=N/O)CC(C)(C)C4)CC(C)(C)C/C3=N\O)cc1 ZINC000028294802 522125914 /nfs/dbraw/zinc/12/59/14/522125914.db2.gz RAMLSJXTYXOECV-MKYUKRCKSA-N 0 0 420.557 5.116 50 30 HKEARN N#Cc1nc(COc2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000028405522 568784726 /nfs/dbraw/zinc/78/47/26/568784726.db2.gz COFRMNFWRLHULX-UHFFFAOYSA-N 0 0 416.506 5.119 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(C(F)(F)F)c1 ZINC000028466573 520269181 /nfs/dbraw/zinc/26/91/81/520269181.db2.gz DCUNIGDOKTXZCD-UHFFFAOYSA-N 0 0 418.455 6.106 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\Cc1ccccc1 ZINC000028615379 121056241 /nfs/dbraw/zinc/05/62/41/121056241.db2.gz XWULZBDJAJBLFX-ZMPCKTLKSA-N 0 0 423.607 5.719 50 30 HKEARN CCCCSc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2Cl)c1C#N ZINC000028627714 568797335 /nfs/dbraw/zinc/79/73/35/568797335.db2.gz SVXOQAVAPBEQOG-UHFFFAOYSA-N 0 0 403.938 6.705 50 30 HKEARN C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1C1CCCCC1 ZINC000029277980 519248686 /nfs/dbraw/zinc/24/86/86/519248686.db2.gz QABVPQNGIJUGGR-UHFFFAOYSA-N 0 0 415.950 5.508 50 30 HKEARN C=CCn1c(C)nnc1SCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000029382717 519174577 /nfs/dbraw/zinc/17/45/77/519174577.db2.gz FQGMQRGKJZNOIH-UHFFFAOYSA-N 0 0 409.946 5.116 50 30 HKEARN C=CCn1c(C)nnc1S[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000029382731 519173739 /nfs/dbraw/zinc/17/37/39/519173739.db2.gz FCGOOJIRCYERGR-OAHLLOKOSA-N 0 0 423.973 5.677 50 30 HKEARN C=CCn1c(C)nnc1S[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000029382734 519174454 /nfs/dbraw/zinc/17/44/54/519174454.db2.gz FCGOOJIRCYERGR-HNNXBMFYSA-N 0 0 423.973 5.677 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](O)C(C)(C)O ZINC000029399875 569027007 /nfs/dbraw/zinc/02/70/07/569027007.db2.gz FCKJYANJHNLEEP-WQUHCOROSA-N 0 0 416.646 5.705 50 30 HKEARN CCCc1ccc(-c2ccc(C(=O)/C(=C/N(C)C)c3ccc(Cl)cc3)cc2)c(F)c1 ZINC000029763575 521388755 /nfs/dbraw/zinc/38/87/55/521388755.db2.gz BUECWALTNLBQET-JJIBRWJFSA-N 0 0 421.943 6.884 50 30 HKEARN FC(F)(F)c1cnc(N=NCc2ccc3noc(-c4ccccc4)c3c2)c(Cl)c1 ZINC000029763930 527688989 /nfs/dbraw/zinc/68/89/89/527688989.db2.gz PCZWBCHRCTZIAP-KALUYTGESA-N 0 0 416.790 6.008 50 30 HKEARN O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N/OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000029764071 527379455 /nfs/dbraw/zinc/37/94/55/527379455.db2.gz VVKZNKQTINUECC-CHOFAJOMSA-N 0 0 421.812 5.526 50 30 HKEARN O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N/OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000029764074 527376662 /nfs/dbraw/zinc/37/66/62/527376662.db2.gz VVKZNKQTINUECC-AEWZPABSSA-N 0 0 421.812 5.526 50 30 HKEARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000030561556 526927390 /nfs/dbraw/zinc/92/73/90/526927390.db2.gz ZHVMDUFDJVIEIZ-UHFFFAOYSA-N 0 0 410.499 5.336 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C)c1 ZINC000030738655 121059614 /nfs/dbraw/zinc/05/96/14/121059614.db2.gz JHKLPASYVDPXFD-ZMPCKTLKSA-N 0 0 423.607 6.159 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1 ZINC000030738657 121059599 /nfs/dbraw/zinc/05/95/99/121059599.db2.gz RWEIBTQJNDRQEC-ZMPCKTLKSA-N 0 0 423.607 6.159 50 30 HKEARN O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N/c2ccccc2)N1Cc1ccco1 ZINC000030750544 526944765 /nfs/dbraw/zinc/94/47/65/526944765.db2.gz BHLOZQXHTYDGEW-JUAGQRJUSA-N 0 0 410.882 5.443 50 30 HKEARN CC(C)=N/N=c1\cc(-c2ccccc2)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2o1 ZINC000030822721 558739063 /nfs/dbraw/zinc/73/90/63/558739063.db2.gz KULNSNDMFXIQBT-QCWLDUFUSA-N 0 0 420.512 7.426 50 30 HKEARN Cn1c2ccccc2nc1/C(=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC#N ZINC000030822795 558739132 /nfs/dbraw/zinc/73/91/32/558739132.db2.gz IRQCATACOMUOKN-NBVRZTHBSA-N 0 0 401.554 6.328 50 30 HKEARN Cc1ccc(C(=O)O/N=C2\c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000030836384 526236256 /nfs/dbraw/zinc/23/62/56/526236256.db2.gz CXQDCAZUILUYRK-AZPGRJICSA-N 0 0 420.468 5.256 50 30 HKEARN CCCCOc1ccc(C(=O)O/N=C(\c2cccs2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000030836408 520873969 /nfs/dbraw/zinc/87/39/69/520873969.db2.gz LBOZXYTUNFTWNB-LNVKXUELSA-N 0 0 424.478 5.445 50 30 HKEARN C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000030922608 519246196 /nfs/dbraw/zinc/24/61/96/519246196.db2.gz LXIZRKDQVGDLJV-UHFFFAOYSA-N 0 0 402.976 5.335 50 30 HKEARN CSc1ccccc1NC(=O)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000031040343 526168073 /nfs/dbraw/zinc/16/80/73/526168073.db2.gz IYYOSZIJRYBTCI-UHFFFAOYSA-N 0 0 401.535 5.018 50 30 HKEARN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000031433716 568926375 /nfs/dbraw/zinc/92/63/75/568926375.db2.gz URKBFDGWRZBGLL-LJQANCHMSA-N 0 0 421.500 5.690 50 30 HKEARN C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000031433719 568926388 /nfs/dbraw/zinc/92/63/88/568926388.db2.gz URKBFDGWRZBGLL-IBGZPJMESA-N 0 0 421.500 5.690 50 30 HKEARN COc1cc(CN=Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000031783654 522007448 /nfs/dbraw/zinc/00/74/48/522007448.db2.gz SSKFOHRKHNNUSS-YVNNLAQVSA-N 0 0 422.293 5.124 50 30 HKEARN C=CCOc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 ZINC000031816838 519028743 /nfs/dbraw/zinc/02/87/43/519028743.db2.gz FJGIEKIWLNKWQC-UHFFFAOYSA-N 0 0 424.507 5.047 50 30 HKEARN COC(=O)Nc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1cccs1 ZINC000031829200 523478443 /nfs/dbraw/zinc/47/84/43/523478443.db2.gz NDAMEJIONGOXHN-JAIQZWGSSA-N 0 0 400.529 5.619 50 30 HKEARN COC(=O)Nc1sc(N=NCc2cccc3ccccc32)nc1-c1cccs1 ZINC000031829205 523479356 /nfs/dbraw/zinc/47/93/56/523479356.db2.gz ACAYCGAPVKZUQP-MTJSOVHGSA-N 0 0 408.508 5.649 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br ZINC000031833838 523458308 /nfs/dbraw/zinc/45/83/08/523458308.db2.gz DKRNLGSOSSYYHL-UKWGHVSLSA-N 0 0 422.735 5.681 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(F)cc3)cs2)cc1Br ZINC000031833840 523462413 /nfs/dbraw/zinc/46/24/13/523462413.db2.gz WXMQGAUBPHQWQO-UKWGHVSLSA-N 0 0 406.280 5.166 50 30 HKEARN Cc1cc(OCc2ccccc2)c(C(=O)/C=C\c2cnn(-c3ccccc3)n2)cc1C ZINC000031841293 525374938 /nfs/dbraw/zinc/37/49/38/525374938.db2.gz OIKQIGSUHDHKSW-YPKPFQOOSA-N 0 0 409.489 5.359 50 30 HKEARN COc1ccccc1N1CCN(/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000031841358 524543935 /nfs/dbraw/zinc/54/39/35/524543935.db2.gz LQVPNEAIOGOGPQ-IMRQLAEWSA-N 0 0 423.601 5.152 50 30 HKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(Oc4ccccc4)c3)n2)c1 ZINC000031854367 527383082 /nfs/dbraw/zinc/38/30/82/527383082.db2.gz PCAGGMXELFQTTF-UCQKPKSFSA-N 0 0 416.462 5.957 50 30 HKEARN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 ZINC000031854371 522007247 /nfs/dbraw/zinc/00/72/47/522007247.db2.gz VXCUHURKXTXZRV-MYYYXRDXSA-N 0 0 415.518 5.844 50 30 HKEARN Clc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000031854519 526934509 /nfs/dbraw/zinc/93/45/09/526934509.db2.gz OWOTUHUHHJSIFN-QFEZKATASA-N 0 0 419.937 6.489 50 30 HKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000031854539 520884206 /nfs/dbraw/zinc/88/42/06/520884206.db2.gz SXDGQZOJROPOFE-FMCGGJTJSA-N 0 0 419.381 6.409 50 30 HKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1O ZINC000031854544 522006509 /nfs/dbraw/zinc/00/65/09/522006509.db2.gz TUJOKQLHODCKAN-WNFQYIGGSA-N 0 0 424.309 5.286 50 30 HKEARN Fc1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000031854565 526315382 /nfs/dbraw/zinc/31/53/82/526315382.db2.gz OJCIEGHSUYSKLO-QFEZKATASA-N 0 0 403.482 5.974 50 30 HKEARN CCCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000031858844 520323125 /nfs/dbraw/zinc/32/31/25/520323125.db2.gz UNKHWSYBYYRBLB-MTJSOVHGSA-N 0 0 416.344 5.807 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4nccnc4c3)nc(-c3ccccc3)c2c1 ZINC000031870169 526970212 /nfs/dbraw/zinc/97/02/12/526970212.db2.gz BBZZACKEAGNELV-VYYCAZPPSA-N 0 0 410.868 5.339 50 30 HKEARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032074396 525660634 /nfs/dbraw/zinc/66/06/34/525660634.db2.gz ORIISHSUOUIYBQ-HNNXBMFYSA-N 0 0 405.454 5.443 50 30 HKEARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032074399 525661883 /nfs/dbraw/zinc/66/18/83/525661883.db2.gz ORIISHSUOUIYBQ-OAHLLOKOSA-N 0 0 405.454 5.443 50 30 HKEARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032094527 525655068 /nfs/dbraw/zinc/65/50/68/525655068.db2.gz CDNZHMVSRIEDPI-KRWDZBQOSA-N 0 0 405.454 5.443 50 30 HKEARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032094529 525655941 /nfs/dbraw/zinc/65/59/41/525655941.db2.gz CDNZHMVSRIEDPI-QGZVFWFLSA-N 0 0 405.454 5.443 50 30 HKEARN Cc1c(C(=O)Nc2cccc(C)c2)sc2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032104115 525659210 /nfs/dbraw/zinc/65/92/10/525659210.db2.gz WRULWOUIKJZYPE-SFHVURJKSA-N 0 0 401.491 5.613 50 30 HKEARN Cc1c(C(=O)Nc2cccc(C)c2)sc2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000032104117 525659819 /nfs/dbraw/zinc/65/98/19/525659819.db2.gz WRULWOUIKJZYPE-GOSISDBHSA-N 0 0 401.491 5.613 50 30 HKEARN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 ZINC000032123381 527355901 /nfs/dbraw/zinc/35/59/01/527355901.db2.gz SKSYQJNRARGUIW-WVHIBCRRSA-N 0 0 415.652 5.269 50 30 HKEARN C=C(C)CN(CC)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000032178903 518597220 /nfs/dbraw/zinc/59/72/20/518597220.db2.gz MKGPAJIBQZRVRJ-UHFFFAOYSA-N 0 0 415.331 5.048 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C ZINC000032190139 121083718 /nfs/dbraw/zinc/08/37/18/121083718.db2.gz BVENDPUHIAMCSN-BEIQUOEZSA-N 0 0 409.580 5.688 50 30 HKEARN C=CCn1c(SCc2ccc(F)c3cccnc23)nc2sc(C)c(C)c2c1=O ZINC000032324138 519240399 /nfs/dbraw/zinc/24/03/99/519240399.db2.gz NABZOEDXVTUVGJ-UHFFFAOYSA-N 0 0 411.527 5.240 50 30 HKEARN CCOc1cc(Br)c(C=NNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000032465071 520648636 /nfs/dbraw/zinc/64/86/36/520648636.db2.gz MWBPTWGQOUHZPY-UKWGHVSLSA-N 0 0 418.118 5.609 50 30 HKEARN FC(F)(F)c1cccc(NN=Cc2ccccc2OCc2ccccc2Cl)c1 ZINC000032465091 527685621 /nfs/dbraw/zinc/68/56/21/527685621.db2.gz QXFDBHPUDOBULX-ZMFRSBBQSA-N 0 0 404.819 6.384 50 30 HKEARN COc1cc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)ccc1O ZINC000032496216 522007195 /nfs/dbraw/zinc/00/71/95/522007195.db2.gz JNAQRLSEBCFXGY-QQXSKIMKSA-N 0 0 410.477 5.279 50 30 HKEARN CCC[NH+](CCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000032501339 521647854 /nfs/dbraw/zinc/64/78/54/521647854.db2.gz ZIOIEHYPJACOHJ-HMAPJEAMSA-N 0 0 405.494 5.685 50 30 HKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000032501342 520496426 /nfs/dbraw/zinc/49/64/26/520496426.db2.gz DDALFVGDOGDAGQ-JLPGSUDCSA-N 0 0 419.521 6.157 50 30 HKEARN C=CCN1C(=O)COc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc21 ZINC000032593406 518835736 /nfs/dbraw/zinc/83/57/36/518835736.db2.gz SKTBTNXZNBDROX-UHFFFAOYSA-N 0 0 412.898 5.027 50 30 HKEARN C[C@@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N ZINC000032594138 524120352 /nfs/dbraw/zinc/12/03/52/524120352.db2.gz VYLMEZIBBOVFJJ-MRXNPFEDSA-N 0 0 407.901 5.824 50 30 HKEARN C[C@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N ZINC000032594139 526253387 /nfs/dbraw/zinc/25/33/87/526253387.db2.gz VYLMEZIBBOVFJJ-INIZCTEOSA-N 0 0 407.901 5.824 50 30 HKEARN CC[C@@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N ZINC000032594140 523180364 /nfs/dbraw/zinc/18/03/64/523180364.db2.gz SCRBXJCMVYNMPA-LJQANCHMSA-N 0 0 421.928 6.215 50 30 HKEARN CC[C@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N ZINC000032594141 523031168 /nfs/dbraw/zinc/03/11/68/523031168.db2.gz SCRBXJCMVYNMPA-IBGZPJMESA-N 0 0 421.928 6.215 50 30 HKEARN C[C@@H]1CCCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 ZINC000032594174 524250700 /nfs/dbraw/zinc/25/07/00/524250700.db2.gz ZKDMXUISTQWMNB-MRXNPFEDSA-N 0 0 407.901 5.682 50 30 HKEARN C[C@H]1CCCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 ZINC000032594175 524109585 /nfs/dbraw/zinc/10/95/85/524109585.db2.gz ZKDMXUISTQWMNB-INIZCTEOSA-N 0 0 407.901 5.682 50 30 HKEARN COC(=O)/C(=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(C)=O ZINC000032619751 522740691 /nfs/dbraw/zinc/74/06/91/522740691.db2.gz XPZRRMJKWOFJNV-KQWNVCNZSA-N 0 0 412.485 5.638 50 30 HKEARN C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 ZINC000032623200 519028691 /nfs/dbraw/zinc/02/86/91/519028691.db2.gz PBMCASAKSGJYMG-UHFFFAOYSA-N 0 0 415.424 5.360 50 30 HKEARN CC(=O)Nc1s/c(=N\N=C/c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000032623437 519754319 /nfs/dbraw/zinc/75/43/19/519754319.db2.gz VMFWMPHLEBHFGE-CBYLDWDHSA-N 0 0 412.518 5.099 50 30 HKEARN C=CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623674 519027677 /nfs/dbraw/zinc/02/76/77/519027677.db2.gz BCHGBHDWADJZRB-UHFFFAOYSA-N 0 0 415.424 5.360 50 30 HKEARN COc1cc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000032642207 522048747 /nfs/dbraw/zinc/04/87/47/522048747.db2.gz WDIPNYIARGNSIG-SSZFMOIBSA-N 0 0 420.490 5.074 50 30 HKEARN C=C(C)CSc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 ZINC000032674115 518627653 /nfs/dbraw/zinc/62/76/53/518627653.db2.gz OXYRAFJNJNZAOM-CYBMUJFWSA-N 0 0 423.654 5.216 50 30 HKEARN C=C(C)CSc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)s1 ZINC000032674117 518626581 /nfs/dbraw/zinc/62/65/81/518626581.db2.gz OXYRAFJNJNZAOM-ZDUSSCGKSA-N 0 0 423.654 5.216 50 30 HKEARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000032674696 520079626 /nfs/dbraw/zinc/07/96/26/520079626.db2.gz GOCPTRMXEQFASU-CYBMUJFWSA-N 0 0 419.554 5.200 50 30 HKEARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000032674698 520079238 /nfs/dbraw/zinc/07/92/38/520079238.db2.gz GOCPTRMXEQFASU-ZDUSSCGKSA-N 0 0 419.554 5.200 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4)c3c2C1 ZINC000032679257 521363578 /nfs/dbraw/zinc/36/35/78/521363578.db2.gz WWNJLRCVXBUHSD-RNSPVEPZSA-N 0 0 412.990 6.332 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4)c3c2C1 ZINC000032679258 521366027 /nfs/dbraw/zinc/36/60/27/521366027.db2.gz WWNJLRCVXBUHSD-AQDQEMTMSA-N 0 0 412.990 6.332 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC=C(C)Cc4ccccc4)c3c2C1 ZINC000032679259 521363167 /nfs/dbraw/zinc/36/31/67/521363167.db2.gz VPSXTLJIGYFAFD-NZRSFDMJSA-N 0 0 418.610 6.734 50 30 HKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000032688881 524035111 /nfs/dbraw/zinc/03/51/11/524035111.db2.gz NAOBWXJGDKYQOW-KQWNVCNZSA-N 0 0 405.498 5.079 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 ZINC000032691011 523460792 /nfs/dbraw/zinc/46/07/92/523460792.db2.gz OGBAPSNFQUULEZ-ONUIUJJFSA-N 0 0 410.477 5.274 50 30 HKEARN COc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC ZINC000032691017 523458701 /nfs/dbraw/zinc/45/87/01/523458701.db2.gz VWVQBQCIALUKJM-IMRQLAEWSA-N 0 0 424.504 5.298 50 30 HKEARN CN(/N=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691019 523771285 /nfs/dbraw/zinc/77/12/85/523771285.db2.gz CHINCEGUJIXWBS-UQQQWYQISA-N 0 0 409.449 5.189 50 30 HKEARN CC(C)c1nc(C#N)c(N=NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 ZINC000032697549 519858344 /nfs/dbraw/zinc/85/83/44/519858344.db2.gz MXOCCZGCQCLASK-ZMFRSBBQSA-N 0 0 414.444 5.107 50 30 HKEARN CCc1cc(SCc2cccc(C(=O)OC)c2)n2c3ccccc3nc2c1C#N ZINC000032708135 523841984 /nfs/dbraw/zinc/84/19/84/523841984.db2.gz ZHHYXUVDINSHJE-UHFFFAOYSA-N 0 0 401.491 5.000 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000032709498 523536196 /nfs/dbraw/zinc/53/61/96/523536196.db2.gz HNJTYCFUJUTFNA-RGEXLXHISA-N 0 0 415.445 5.277 50 30 HKEARN CCOc1ccc(/C=C(/C(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000032712200 520842283 /nfs/dbraw/zinc/84/22/83/520842283.db2.gz VHADSPINOLMBKD-HKWRFOASSA-N 0 0 414.417 5.558 50 30 HKEARN Cc1nc(CSc2nc(N)c(-c3nc(-c4ccccc4)cs3)cc2C#N)cs1 ZINC000032719107 526916551 /nfs/dbraw/zinc/91/65/51/526916551.db2.gz LMQMISHTXYZADV-UHFFFAOYSA-N 0 0 421.576 5.383 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000032754535 519247066 /nfs/dbraw/zinc/24/70/66/519247066.db2.gz UGGQBYWJEIGZJI-UHFFFAOYSA-N 0 0 421.526 5.364 50 30 HKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000032755162 527332688 /nfs/dbraw/zinc/33/26/88/527332688.db2.gz CDLRIYZJENPALF-UHFFFAOYSA-N 0 0 417.284 5.301 50 30 HKEARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000032759150 527164821 /nfs/dbraw/zinc/16/48/21/527164821.db2.gz URAJRUPTKCPLOY-UHFFFAOYSA-N 0 0 417.284 5.301 50 30 HKEARN CCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032790400 519990548 /nfs/dbraw/zinc/99/05/48/519990548.db2.gz DWSFAVOTORHAAL-QFIPXVFZSA-O 0 0 414.651 5.951 50 30 endogenous,in-man HKEARN CCOc1cc(/C=C/C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000032800874 520616700 /nfs/dbraw/zinc/61/67/00/520616700.db2.gz MRTDMRBGWSSYOA-YHVDPYDOSA-N 0 0 412.917 5.242 50 30 HKEARN CCOc1cc(/C=C/C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000032800877 520616521 /nfs/dbraw/zinc/61/65/21/520616521.db2.gz MRTDMRBGWSSYOA-ONOODXEBSA-N 0 0 412.917 5.242 50 30 HKEARN CCOc1ccccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000032808527 568509769 /nfs/dbraw/zinc/50/97/69/568509769.db2.gz WVJLWBXNCGUARK-BUHFOSPRSA-N 0 0 420.534 5.739 50 30 HKEARN Cc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000032816965 524841296 /nfs/dbraw/zinc/84/12/96/524841296.db2.gz AKXSFNIQSHFKFB-OAQYLSRUSA-N 0 0 418.928 5.565 50 30 HKEARN Cc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000032816967 524888234 /nfs/dbraw/zinc/88/82/34/524888234.db2.gz AKXSFNIQSHFKFB-NRFANRHFSA-N 0 0 418.928 5.565 50 30 HKEARN CCOc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Cl)c1OC ZINC000032831751 520618862 /nfs/dbraw/zinc/61/88/62/520618862.db2.gz VRINHSVUHRIFOT-IZZDOVSWSA-N 0 0 416.905 5.173 50 30 HKEARN C=CCn1c(Sc2nc(-c3cccnc3)nc3ccccc32)nnc1-c1ccccc1 ZINC000032857508 519259875 /nfs/dbraw/zinc/25/98/75/519259875.db2.gz AQYVFKKRUCFGEJ-UHFFFAOYSA-N 0 0 422.517 5.288 50 30 HKEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032905217 527325914 /nfs/dbraw/zinc/32/59/14/527325914.db2.gz JQSVKPQPUYPSMR-SANMLTNESA-N 0 0 420.537 5.954 50 30 HKEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032905218 527326369 /nfs/dbraw/zinc/32/63/69/527326369.db2.gz JQSVKPQPUYPSMR-AREMUKBSSA-N 0 0 420.537 5.954 50 30 HKEARN CCn1c2ccccc2c2cc(NC(=O)CCc3c(C)nn(CCC#N)c3C)ccc21 ZINC000032908819 523274105 /nfs/dbraw/zinc/27/41/05/523274105.db2.gz HDIIOEMWZWYAHI-UHFFFAOYSA-N 0 0 413.525 5.113 50 30 HKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000032908845 526277200 /nfs/dbraw/zinc/27/72/00/526277200.db2.gz JOHYNCDZVNJTCS-UHFFFAOYSA-N 0 0 422.916 5.431 50 30 HKEARN O=C1c2ccccc2S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000032916738 527135214 /nfs/dbraw/zinc/13/52/14/527135214.db2.gz HFRNJQCRNACHEF-JAIQZWGSSA-N 0 0 413.325 6.902 50 30 HKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 ZINC000032916753 524361190 /nfs/dbraw/zinc/36/11/90/524361190.db2.gz WTUVDBVCRJLQQI-UDWIEESQSA-N 0 0 419.462 5.363 50 30 HKEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cc1 ZINC000032922437 519712555 /nfs/dbraw/zinc/71/25/55/519712555.db2.gz AHKXIFHZJTWHOZ-LFYBBSHMSA-N 0 0 421.522 5.148 50 30 HKEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000032931740 526498294 /nfs/dbraw/zinc/49/82/94/526498294.db2.gz ZIFSEMZJPZKEAN-SFHVURJKSA-N 0 0 414.814 6.267 50 30 HKEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000032931741 526511087 /nfs/dbraw/zinc/51/10/87/526511087.db2.gz ZIFSEMZJPZKEAN-GOSISDBHSA-N 0 0 414.814 6.267 50 30 HKEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1Cl ZINC000032931750 526498668 /nfs/dbraw/zinc/49/86/68/526498668.db2.gz JNSWKBSOENIPBG-UGKGYDQZSA-N 0 0 404.922 5.651 50 30 HKEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1Cl ZINC000032931751 526497723 /nfs/dbraw/zinc/49/77/23/526497723.db2.gz JNSWKBSOENIPBG-SIKLNZKXSA-N 0 0 404.922 5.651 50 30 HKEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1Cl ZINC000032931752 526511208 /nfs/dbraw/zinc/51/12/08/526511208.db2.gz JNSWKBSOENIPBG-KNQAVFIVSA-N 0 0 404.922 5.651 50 30 HKEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1Cl ZINC000032931753 526510949 /nfs/dbraw/zinc/51/09/49/526510949.db2.gz JNSWKBSOENIPBG-DENIHFKCSA-N 0 0 404.922 5.651 50 30 HKEARN Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1c[nH]c2ccccc12 ZINC000032941851 525026612 /nfs/dbraw/zinc/02/66/12/525026612.db2.gz CDGVOTQJWIHSOZ-UHFFFAOYSA-N 0 0 421.529 5.888 50 30 HKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1)c1cccc(Cl)c1 ZINC000032943050 527660291 /nfs/dbraw/zinc/66/02/91/527660291.db2.gz UWDSVEDPVFZZHX-UHFFFAOYSA-N 0 0 416.912 5.262 50 30 HKEARN Cc1ccccc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 ZINC000032943084 525218811 /nfs/dbraw/zinc/21/88/11/525218811.db2.gz CXOIKSTVQALMFF-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 ZINC000032943086 524529718 /nfs/dbraw/zinc/52/97/18/524529718.db2.gz JYWUSWQEJMTUSZ-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943104 524911775 /nfs/dbraw/zinc/91/17/75/524911775.db2.gz WXTDGEFKXQLFIZ-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)c1 ZINC000032943108 524159825 /nfs/dbraw/zinc/15/98/25/524159825.db2.gz XYLZYWNNGHROLV-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)c1 ZINC000032943109 524159580 /nfs/dbraw/zinc/15/95/80/524159580.db2.gz VAIGSTDGTXWSGX-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)cc1 ZINC000032943113 526015186 /nfs/dbraw/zinc/01/51/86/526015186.db2.gz QATGGRXHMZMVCB-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN CCOc1ccc(N=C(NCCc2c[nH]c3ccccc23)NC(=O)C(CC)CC)cc1 ZINC000032943131 520857096 /nfs/dbraw/zinc/85/70/96/520857096.db2.gz NHMXDAMPUKKREI-UHFFFAOYSA-N 0 0 420.557 5.779 50 30 HKEARN Cc1ccccc1N=C(NCCc1c[nH]c2ccccc12)NC(=O)CC1CCCC1 ZINC000032943137 525041539 /nfs/dbraw/zinc/04/15/39/525041539.db2.gz UFBMFCFDSQWWOU-UHFFFAOYSA-N 0 0 402.542 5.833 50 30 HKEARN CCCCC(=O)NC(=NCCc1c[nH]c2ccccc12)Nc1ccc(OCC)cc1 ZINC000032943182 519886893 /nfs/dbraw/zinc/88/68/93/519886893.db2.gz UYWLUXWTIQWPMM-UHFFFAOYSA-N 0 0 406.530 5.533 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943187 524912101 /nfs/dbraw/zinc/91/21/01/524912101.db2.gz INQJINYWTJPYHF-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943188 524071302 /nfs/dbraw/zinc/07/13/02/524071302.db2.gz LYWCRZWBQIZYKN-UHFFFAOYSA-N 0 0 410.521 5.171 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943200 524529740 /nfs/dbraw/zinc/52/97/40/524529740.db2.gz HJPJUZLKBPYAAW-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943344 524912297 /nfs/dbraw/zinc/91/22/97/524912297.db2.gz FFEDLJHBVAXZGO-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN CCc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCCc1c[nH]c2ccccc12 ZINC000032943378 521850687 /nfs/dbraw/zinc/85/06/87/521850687.db2.gz HSHINYORPGOOPR-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCCc1c[nH]c2ccccc12 ZINC000032943380 521849949 /nfs/dbraw/zinc/84/99/49/521849949.db2.gz NTWZORQGGYDOCL-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2F)c1 ZINC000032943424 524160051 /nfs/dbraw/zinc/16/00/51/524160051.db2.gz SJJARWFSGWJQFI-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c1C ZINC000032943448 524529789 /nfs/dbraw/zinc/52/97/89/524529789.db2.gz SBJWJDJTCVFWAF-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN CCc1ccc(C(=O)C2=CN(c3ccccc3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950842 523876356 /nfs/dbraw/zinc/87/63/56/523876356.db2.gz VOPAVEMFFFJZHH-UHFFFAOYSA-N 0 0 407.466 5.038 50 30 HKEARN CCc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950845 523876705 /nfs/dbraw/zinc/87/67/05/523876705.db2.gz NWDBSBHXVQHDDW-UHFFFAOYSA-N 0 0 421.493 5.346 50 30 HKEARN CCc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950848 523876465 /nfs/dbraw/zinc/87/64/65/523876465.db2.gz YDYMXYHKRMZOIR-UHFFFAOYSA-N 0 0 421.493 5.346 50 30 HKEARN O=C(c1ccccc1)C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O ZINC000032950891 526789192 /nfs/dbraw/zinc/78/91/92/526789192.db2.gz JKJUNTDNVUOVIG-UHFFFAOYSA-N 0 0 413.857 5.129 50 30 HKEARN CCc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032950901 524071684 /nfs/dbraw/zinc/07/16/84/524071684.db2.gz UYSPCRAXOADIBH-UHFFFAOYSA-N 0 0 407.466 5.038 50 30 HKEARN CCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032950904 523964245 /nfs/dbraw/zinc/96/42/45/523964245.db2.gz ZPHBITOOFVNKBH-UHFFFAOYSA-N 0 0 407.466 5.038 50 30 HKEARN O=C(c1ccccc1)C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O ZINC000032950906 526790115 /nfs/dbraw/zinc/79/01/15/526790115.db2.gz YYNSYFQIQWURIN-UHFFFAOYSA-N 0 0 413.857 5.129 50 30 HKEARN C=CCSc1nc2c(-c3ccccc3)cn(C)c2c(=O)n1-c1ccc(CC)cc1 ZINC000032950918 519080891 /nfs/dbraw/zinc/08/08/91/519080891.db2.gz AZFLNYHWCAXTIY-UHFFFAOYSA-N 0 0 401.535 5.232 50 30 HKEARN C=CCn1c(SCc2cccc(Cl)c2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000032951142 519241441 /nfs/dbraw/zinc/24/14/41/519241441.db2.gz VIIFILDDGRGBET-UHFFFAOYSA-N 0 0 421.953 5.534 50 30 HKEARN C=CCn1c(SCc2ccc(Cl)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000032951145 519240768 /nfs/dbraw/zinc/24/07/68/519240768.db2.gz NOWJUTNBYYUXIB-UHFFFAOYSA-N 0 0 421.953 5.534 50 30 HKEARN C=CCn1c(SCc2ccc(C=C)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000032951148 519240268 /nfs/dbraw/zinc/24/02/68/519240268.db2.gz KIVVGNPSTHIVIV-UHFFFAOYSA-N 0 0 413.546 5.523 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nnc1-c1ccccc1 ZINC000032951272 519247250 /nfs/dbraw/zinc/24/72/50/519247250.db2.gz HZMBYYGONYJKTC-UHFFFAOYSA-N 0 0 422.941 6.040 50 30 HKEARN N#Cc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032954071 526658717 /nfs/dbraw/zinc/65/87/17/526658717.db2.gz GOLGDQRVJQHWAP-UHFFFAOYSA-N 0 0 400.825 5.181 50 30 HKEARN N#Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000032954073 526722444 /nfs/dbraw/zinc/72/24/44/526722444.db2.gz NYRREGZWASMRKM-UHFFFAOYSA-N 0 0 400.825 5.181 50 30 HKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2)Nc2ccc(C(C)C)cc2)c1C ZINC000032972170 523638439 /nfs/dbraw/zinc/63/84/39/523638439.db2.gz IEHVTFJEIDVJOU-UHFFFAOYSA-N 0 0 417.557 5.041 50 30 HKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1Br ZINC000032975871 558803237 /nfs/dbraw/zinc/80/32/37/558803237.db2.gz IJOLFZAFAZPQRZ-UHFFFAOYSA-N 0 0 409.308 5.724 50 30 HKEARN CC(C)c1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984106 519836798 /nfs/dbraw/zinc/83/67/98/519836798.db2.gz ORDDFBQAIGHCQL-UHFFFAOYSA-N 0 0 403.503 5.460 50 30 HKEARN CCCCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984107 521274742 /nfs/dbraw/zinc/27/47/42/521274742.db2.gz MQPZLLNEKPIPDT-UHFFFAOYSA-N 0 0 417.530 5.679 50 30 HKEARN CSc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984116 526108442 /nfs/dbraw/zinc/10/84/42/526108442.db2.gz MDLRCXWCYHMDCV-UHFFFAOYSA-N 0 0 407.516 5.058 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1Cl ZINC000032984139 524935409 /nfs/dbraw/zinc/93/54/09/524935409.db2.gz WWKJBBCDKFYKBM-UHFFFAOYSA-N 0 0 409.894 5.298 50 30 HKEARN CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984143 524071449 /nfs/dbraw/zinc/07/14/49/524071449.db2.gz FLCBJOUCJKVSTC-UHFFFAOYSA-N 0 0 403.503 5.207 50 30 HKEARN CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984144 523964006 /nfs/dbraw/zinc/96/40/06/523964006.db2.gz WFNQQDMJFXNNDI-UHFFFAOYSA-N 0 0 403.503 5.207 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984145 526031031 /nfs/dbraw/zinc/03/10/31/526031031.db2.gz LJQQYGFZCXVSST-UHFFFAOYSA-N 0 0 403.503 5.262 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984146 526030203 /nfs/dbraw/zinc/03/02/03/526030203.db2.gz BNBSJUSOCHTETG-UHFFFAOYSA-N 0 0 403.503 5.262 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984147 526032281 /nfs/dbraw/zinc/03/22/81/526032281.db2.gz DFVMMRKUAUHLER-UHFFFAOYSA-N 0 0 417.530 5.768 50 30 HKEARN CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984154 521040810 /nfs/dbraw/zinc/04/08/10/521040810.db2.gz UWBVWSNOMKISEK-UHFFFAOYSA-N 0 0 419.502 5.043 50 30 HKEARN CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984157 526107658 /nfs/dbraw/zinc/10/76/58/526107658.db2.gz JRXGMABSLHJFSH-UHFFFAOYSA-N 0 0 421.543 5.367 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984169 526029902 /nfs/dbraw/zinc/02/99/02/526029902.db2.gz XNLNTCUWMJFOFY-UHFFFAOYSA-N 0 0 409.894 5.298 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984170 526030887 /nfs/dbraw/zinc/03/08/87/526030887.db2.gz JIDWLCHSULRSJI-UHFFFAOYSA-N 0 0 409.894 5.298 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984176 526030538 /nfs/dbraw/zinc/03/05/38/526030538.db2.gz AGHXUOZTOLWOFO-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984177 526032002 /nfs/dbraw/zinc/03/20/02/526032002.db2.gz DHMWNDYTHNEZHC-UHFFFAOYSA-N 0 0 423.921 5.607 50 30 HKEARN Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984218 524534925 /nfs/dbraw/zinc/53/49/25/524534925.db2.gz QJFNFGHAIUOSGY-UHFFFAOYSA-N 0 0 409.894 5.298 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984219 524934347 /nfs/dbraw/zinc/93/43/47/524934347.db2.gz QMNOLMLAUWTLDP-UHFFFAOYSA-N 0 0 409.894 5.298 50 30 HKEARN CCc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984220 524071445 /nfs/dbraw/zinc/07/14/45/524071445.db2.gz VMUBZOVGWOLTEZ-UHFFFAOYSA-N 0 0 423.921 5.552 50 30 HKEARN CCc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984221 523963732 /nfs/dbraw/zinc/96/37/32/523963732.db2.gz AJDXPFPDQMDQTG-UHFFFAOYSA-N 0 0 423.921 5.552 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1C ZINC000032984222 524934068 /nfs/dbraw/zinc/93/40/68/524934068.db2.gz AJHVIJSHEOKSSB-UHFFFAOYSA-N 0 0 423.921 5.607 50 30 HKEARN Cc1cc(C)cc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984223 524412911 /nfs/dbraw/zinc/41/29/11/524412911.db2.gz VJPZTHTVNOMOKC-UHFFFAOYSA-N 0 0 423.921 5.607 50 30 HKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(F)c2)c2ccccc2S1(=O)=O ZINC000032984241 526674532 /nfs/dbraw/zinc/67/45/32/526674532.db2.gz DJSGIJFAYTWKQF-UHFFFAOYSA-N 0 0 413.857 5.129 50 30 HKEARN Cc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 ZINC000032984248 524536425 /nfs/dbraw/zinc/53/64/25/524536425.db2.gz AOGUAZAPBZFKRC-UHFFFAOYSA-N 0 0 403.503 5.262 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 ZINC000032984249 524933786 /nfs/dbraw/zinc/93/37/86/524933786.db2.gz XGDGJXPZBLEGGR-UHFFFAOYSA-N 0 0 403.503 5.262 50 30 HKEARN CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 ZINC000032984250 524071356 /nfs/dbraw/zinc/07/13/56/524071356.db2.gz NUEQUFRBXSQUSI-UHFFFAOYSA-N 0 0 417.530 5.516 50 30 HKEARN CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 ZINC000032984251 523963741 /nfs/dbraw/zinc/96/37/41/523963741.db2.gz NEKUEMHPUJKBFX-UHFFFAOYSA-N 0 0 417.530 5.516 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984252 526031256 /nfs/dbraw/zinc/03/12/56/526031256.db2.gz PDHIISBYUKHNOJ-UHFFFAOYSA-N 0 0 417.530 5.570 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984253 526030554 /nfs/dbraw/zinc/03/05/54/526030554.db2.gz FCVYXVVMHNLEFI-UHFFFAOYSA-N 0 0 417.530 5.570 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984273 526030160 /nfs/dbraw/zinc/03/01/60/526030160.db2.gz LGROAIOMPSPUQX-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984274 526029704 /nfs/dbraw/zinc/02/97/04/526029704.db2.gz UUMDFFDIZKESCL-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984276 526031069 /nfs/dbraw/zinc/03/10/69/526031069.db2.gz ZBZNQTUCJUIBQW-UHFFFAOYSA-N 0 0 423.921 5.607 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984277 526030171 /nfs/dbraw/zinc/03/01/71/526030171.db2.gz CNRMDKJNTWKRKD-UHFFFAOYSA-N 0 0 423.921 5.607 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984284 526032023 /nfs/dbraw/zinc/03/20/23/526032023.db2.gz QFWLADUXIMXKFI-UHFFFAOYSA-N 0 0 421.493 5.401 50 30 HKEARN CCOc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984289 520884739 /nfs/dbraw/zinc/88/47/39/520884739.db2.gz ATZPNULPUBIWIF-UHFFFAOYSA-N 0 0 419.502 5.043 50 30 HKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984290 520883659 /nfs/dbraw/zinc/88/36/59/520883659.db2.gz FTCCMALFHRVJOO-UHFFFAOYSA-N 0 0 419.502 5.043 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1C ZINC000032984320 524934529 /nfs/dbraw/zinc/93/45/29/524934529.db2.gz LDGYHJVRFKPWEU-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1cc(C)cc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984321 524413856 /nfs/dbraw/zinc/41/38/56/524413856.db2.gz ZFDZJJOCNCYXMX-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984332 526032198 /nfs/dbraw/zinc/03/21/98/526032198.db2.gz ZCSBITYWABAXTD-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984333 526030704 /nfs/dbraw/zinc/03/07/04/526030704.db2.gz DCUCPGYIYAOXPC-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984334 524071345 /nfs/dbraw/zinc/07/13/45/524071345.db2.gz QKSZHCAZIYQBHM-UHFFFAOYSA-N 0 0 421.493 5.346 50 30 HKEARN CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984335 523964124 /nfs/dbraw/zinc/96/41/24/523964124.db2.gz BBAHIBKPPFTSNA-UHFFFAOYSA-N 0 0 421.493 5.346 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984336 526030656 /nfs/dbraw/zinc/03/06/56/526030656.db2.gz HTZZDORLKCIXSC-UHFFFAOYSA-N 0 0 421.493 5.401 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984337 526030389 /nfs/dbraw/zinc/03/03/89/526030389.db2.gz PJHHZIJVHVAEHC-UHFFFAOYSA-N 0 0 421.493 5.401 50 30 HKEARN Cc1ccc(C(=O)C2=CN(c3ccccc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984406 526034336 /nfs/dbraw/zinc/03/43/36/526034336.db2.gz FEAQOALCDPDJRF-UHFFFAOYSA-N 0 0 407.466 5.092 50 30 HKEARN Cc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984407 524535414 /nfs/dbraw/zinc/53/54/14/524535414.db2.gz OUPKQVDZQXXJLJ-UHFFFAOYSA-N 0 0 421.493 5.401 50 30 HKEARN Cc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984408 524934315 /nfs/dbraw/zinc/93/43/15/524934315.db2.gz XPIPHVQXRYIYLP-UHFFFAOYSA-N 0 0 421.493 5.401 50 30 HKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)o1 ZINC000032999858 558826358 /nfs/dbraw/zinc/82/63/58/558826358.db2.gz VGOLUVORCVGLMC-UHFFFAOYSA-N 0 0 403.413 5.445 50 30 HKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)o1 ZINC000032999859 558826399 /nfs/dbraw/zinc/82/63/99/558826399.db2.gz GZYMDTPCDDFBGV-UHFFFAOYSA-N 0 0 419.868 5.959 50 30 HKEARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C)s1 ZINC000033007740 520184851 /nfs/dbraw/zinc/18/48/51/520184851.db2.gz DHWABTLRVIFKAI-UHFFFAOYSA-N 0 0 423.947 5.365 50 30 HKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1cccc2ccccc21 ZINC000033011033 558830374 /nfs/dbraw/zinc/83/03/74/558830374.db2.gz GBPSSVKMMSFZQQ-UHFFFAOYSA-N 0 0 401.516 5.566 50 30 HKEARN CCOc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000033011069 558830377 /nfs/dbraw/zinc/83/03/77/558830377.db2.gz NRDIROZMUPQIHE-UHFFFAOYSA-N 0 0 403.507 5.058 50 30 HKEARN CCOc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000033011071 558830382 /nfs/dbraw/zinc/83/03/82/558830382.db2.gz FHDNOIBGUOKCFA-UHFFFAOYSA-N 0 0 423.925 5.403 50 30 HKEARN CCOc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000033011075 558830415 /nfs/dbraw/zinc/83/04/15/558830415.db2.gz VVHAIGWQJVXRNB-UHFFFAOYSA-N 0 0 403.507 5.058 50 30 HKEARN CCOc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000033011077 558830340 /nfs/dbraw/zinc/83/03/40/558830340.db2.gz FIGXZKAEEJYAGW-UHFFFAOYSA-N 0 0 417.534 5.367 50 30 HKEARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000033011108 558830335 /nfs/dbraw/zinc/83/03/35/558830335.db2.gz WTKMXAQGNOGDOR-UHFFFAOYSA-N 0 0 423.925 5.322 50 30 HKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 ZINC000033011138 558830504 /nfs/dbraw/zinc/83/05/04/558830504.db2.gz UNWLSBFDEOMQEW-UHFFFAOYSA-N 0 0 416.531 5.269 50 30 HKEARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000033011140 558830522 /nfs/dbraw/zinc/83/05/22/558830522.db2.gz KMTXARRCYDGILR-UHFFFAOYSA-N 0 0 403.507 5.058 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000033011180 558830552 /nfs/dbraw/zinc/83/05/52/558830552.db2.gz QNSKWJOCARIMML-UHFFFAOYSA-N 0 0 409.898 5.013 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000033011186 558830561 /nfs/dbraw/zinc/83/05/61/558830561.db2.gz QLIYGHFLDIRFJD-UHFFFAOYSA-N 0 0 409.898 5.013 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000033011190 558830568 /nfs/dbraw/zinc/83/05/68/558830568.db2.gz FHNAWMHBKWBTEW-UHFFFAOYSA-N 0 0 409.898 5.013 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000033011192 558830542 /nfs/dbraw/zinc/83/05/42/558830542.db2.gz YNXATOMEBHSUNN-UHFFFAOYSA-N 0 0 423.925 5.322 50 30 HKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000033011200 558830727 /nfs/dbraw/zinc/83/07/27/558830727.db2.gz XVAWOOYYABJMJV-UHFFFAOYSA-N 0 0 417.534 5.285 50 30 HKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000033011243 558831234 /nfs/dbraw/zinc/83/12/34/558831234.db2.gz WMKNUPZXOZLQOJ-UHFFFAOYSA-N 0 0 424.323 5.114 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1 ZINC000033026389 525234113 /nfs/dbraw/zinc/23/41/13/525234113.db2.gz ZZOPPAPOLOAODZ-NYHFZMIOSA-N 0 0 404.441 5.089 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1 ZINC000033026392 525401743 /nfs/dbraw/zinc/40/17/43/525401743.db2.gz ZZOPPAPOLOAODZ-QRQCRPRQSA-N 0 0 404.441 5.089 50 30 HKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1 ZINC000033026394 525234406 /nfs/dbraw/zinc/23/44/06/525234406.db2.gz ZZOPPAPOLOAODZ-OYHNWAKOSA-N 0 0 404.441 5.089 50 30 HKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1 ZINC000033026397 525401097 /nfs/dbraw/zinc/40/10/97/525401097.db2.gz ZZOPPAPOLOAODZ-IVZQSRNASA-N 0 0 404.441 5.089 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000033026475 526077774 /nfs/dbraw/zinc/07/77/74/526077774.db2.gz RQLICNLVRFPSHB-QRQCRPRQSA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000033026478 526065563 /nfs/dbraw/zinc/06/55/63/526065563.db2.gz RQLICNLVRFPSHB-IVZQSRNASA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000033026481 526077858 /nfs/dbraw/zinc/07/78/58/526077858.db2.gz RQLICNLVRFPSHB-NYHFZMIOSA-N 0 0 418.518 5.369 50 30 HKEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000033026484 526064889 /nfs/dbraw/zinc/06/48/89/526064889.db2.gz RQLICNLVRFPSHB-OYHNWAKOSA-N 0 0 418.518 5.369 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccccc1 ZINC000033027007 558848346 /nfs/dbraw/zinc/84/83/46/558848346.db2.gz JXWZYZYRYAZUED-UHFFFAOYSA-N 0 0 421.456 6.151 50 30 HKEARN Cc1ccc(CNc2oc(-c3ccc(COc4ccc(C)c(C)c4)o3)nc2C#N)cc1 ZINC000033027014 558848460 /nfs/dbraw/zinc/84/84/60/558848460.db2.gz LGUDGCOKJUWNHF-UHFFFAOYSA-N 0 0 413.477 5.923 50 30 HKEARN Cc1ccc(CNc2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)cc1 ZINC000033027016 558848492 /nfs/dbraw/zinc/84/84/92/558848492.db2.gz UADYHNVGUYNXSF-UHFFFAOYSA-N 0 0 413.477 5.923 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1C ZINC000033027019 558848482 /nfs/dbraw/zinc/84/84/82/558848482.db2.gz RCTZFOSHZCZOSR-UHFFFAOYSA-N 0 0 417.440 5.753 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)c1 ZINC000033027022 558848516 /nfs/dbraw/zinc/84/85/16/558848516.db2.gz DJWRTCLMYYSUDY-UHFFFAOYSA-N 0 0 417.440 5.753 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC[C@@H]1CCCO1 ZINC000033027037 558848521 /nfs/dbraw/zinc/84/85/21/558848521.db2.gz KCLKNJKTIQSBEK-IBGZPJMESA-N 0 0 415.449 5.129 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC[C@H]1CCCO1 ZINC000033027041 558848530 /nfs/dbraw/zinc/84/85/30/558848530.db2.gz KCLKNJKTIQSBEK-LJQANCHMSA-N 0 0 415.449 5.129 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccco1 ZINC000033027052 558848676 /nfs/dbraw/zinc/84/86/76/558848676.db2.gz ZRSUANGYFXTBCT-UHFFFAOYSA-N 0 0 411.417 5.744 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccc(C)c(C)c4)o3)nc2C#N)cc1 ZINC000033027060 558848576 /nfs/dbraw/zinc/84/85/76/558848576.db2.gz LLCDZQAVCVOLJD-UHFFFAOYSA-N 0 0 415.449 5.754 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)cc1 ZINC000033027062 558848622 /nfs/dbraw/zinc/84/86/22/558848622.db2.gz BQKWDHIIAGTQHS-UHFFFAOYSA-N 0 0 415.449 5.754 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1C ZINC000033027073 558848599 /nfs/dbraw/zinc/84/85/99/558848599.db2.gz VFJPIRLDEFODTN-GOSISDBHSA-N 0 0 413.477 6.175 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)cc1C ZINC000033027075 558848633 /nfs/dbraw/zinc/84/86/33/558848633.db2.gz VFJPIRLDEFODTN-SFHVURJKSA-N 0 0 413.477 6.175 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)c1 ZINC000033027077 558848478 /nfs/dbraw/zinc/84/84/78/558848478.db2.gz FJZJSJFCVVEZAE-GOSISDBHSA-N 0 0 413.477 6.175 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)c1 ZINC000033027079 558848505 /nfs/dbraw/zinc/84/85/05/558848505.db2.gz FJZJSJFCVVEZAE-SFHVURJKSA-N 0 0 413.477 6.175 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1cccnc1 ZINC000033027082 558848475 /nfs/dbraw/zinc/84/84/75/558848475.db2.gz FKMDBCSSSCWHJI-UHFFFAOYSA-N 0 0 422.444 5.546 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)cc1C ZINC000033027084 558848515 /nfs/dbraw/zinc/84/85/15/558848515.db2.gz MUJLPUAAKGEAOB-UHFFFAOYSA-N 0 0 400.438 5.009 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)c1 ZINC000033027086 558848671 /nfs/dbraw/zinc/84/86/71/558848671.db2.gz VGUICAKNKTXMPK-UHFFFAOYSA-N 0 0 400.438 5.009 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)cc1C ZINC000033027130 558848762 /nfs/dbraw/zinc/84/87/62/558848762.db2.gz MIUPWXZLPCAYPZ-HZPDHXFCSA-N 0 0 405.498 5.484 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@H](C)C4)o3)o2)cc1C ZINC000033027132 558848764 /nfs/dbraw/zinc/84/87/64/558848764.db2.gz MIUPWXZLPCAYPZ-IYBDPMFKSA-N 0 0 405.498 5.484 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)cc1C ZINC000033027136 558848803 /nfs/dbraw/zinc/84/88/03/558848803.db2.gz MIUPWXZLPCAYPZ-HOTGVXAUSA-N 0 0 405.498 5.484 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)c1 ZINC000033027138 558848779 /nfs/dbraw/zinc/84/87/79/558848779.db2.gz HOJUHOIIRHKXCE-IAGOWNOFSA-N 0 0 405.498 5.484 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@H](C)C4)o3)o2)c1 ZINC000033027140 558848811 /nfs/dbraw/zinc/84/88/11/558848811.db2.gz HOJUHOIIRHKXCE-CALCHBBNSA-N 0 0 405.498 5.484 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)c1 ZINC000033027144 558848774 /nfs/dbraw/zinc/84/87/74/558848774.db2.gz HOJUHOIIRHKXCE-IRXDYDNUSA-N 0 0 405.498 5.484 50 30 HKEARN C[C@@H]1CCCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C1 ZINC000033027145 558848752 /nfs/dbraw/zinc/84/87/52/558848752.db2.gz YPDCWJGKLOJHNE-QGZVFWFLSA-N 0 0 413.477 5.775 50 30 HKEARN C[C@H]1CCCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C1 ZINC000033027148 558848798 /nfs/dbraw/zinc/84/87/98/558848798.db2.gz YPDCWJGKLOJHNE-KRWDZBQOSA-N 0 0 413.477 5.775 50 30 HKEARN CC1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1 ZINC000033027159 558848766 /nfs/dbraw/zinc/84/87/66/558848766.db2.gz JWWWPVXBPFRACY-UHFFFAOYSA-N 0 0 413.477 5.775 50 30 HKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)cc1C ZINC000033027166 558848814 /nfs/dbraw/zinc/84/88/14/558848814.db2.gz JFPFXPZHNOGFMP-UHFFFAOYSA-N 0 0 413.477 5.639 50 30 HKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)c1 ZINC000033027168 558848788 /nfs/dbraw/zinc/84/87/88/558848788.db2.gz BFCREQLEAZIAPB-UHFFFAOYSA-N 0 0 413.477 5.639 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCCC1 ZINC000033027202 558849718 /nfs/dbraw/zinc/84/97/18/558849718.db2.gz OGGFPLQRCLOTQP-UHFFFAOYSA-N 0 0 413.477 5.919 50 30 HKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(C)cc2Cl)cc1 ZINC000033096938 558872994 /nfs/dbraw/zinc/87/29/94/558872994.db2.gz VJLHRECIYZJVAC-HAHDFKILSA-N 0 0 402.995 5.595 50 30 HKEARN CCCCN(CC)c1ccc(/C=N\NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000033096940 558872907 /nfs/dbraw/zinc/87/29/07/558872907.db2.gz SGWFIHWRBFASCA-HAHDFKILSA-N 0 0 402.995 5.595 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000033097088 558872999 /nfs/dbraw/zinc/87/29/99/558872999.db2.gz QHHGIPMGIDRIEV-WWPWHYENSA-N 0 0 423.542 5.587 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000033097089 558872915 /nfs/dbraw/zinc/87/29/15/558872915.db2.gz QHHGIPMGIDRIEV-JNXALSOLSA-N 0 0 423.542 5.587 50 30 HKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(C(C)C)cc4)c3c2C1 ZINC000033097092 558872975 /nfs/dbraw/zinc/87/29/75/558872975.db2.gz BLIMJBXVGYMQEP-KEQNQXLQSA-N 0 0 420.626 6.802 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(C(C)C)cc4)c3c2C1 ZINC000033097093 521366778 /nfs/dbraw/zinc/36/67/78/521366778.db2.gz BLIMJBXVGYMQEP-RYNWWGPNSA-N 0 0 420.626 6.802 50 30 HKEARN CCOC(=O)c1c2ccc(C)c(OCc3ccccc3C#N)c2sc1NC(=O)CC ZINC000033113580 558875443 /nfs/dbraw/zinc/87/54/43/558875443.db2.gz RKLZSHPOVQFIQH-UHFFFAOYSA-N 0 0 422.506 5.186 50 30 HKEARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(C#N)c3)c2sc1NC(=O)CC ZINC000033113581 558875498 /nfs/dbraw/zinc/87/54/98/558875498.db2.gz JOOSMHMYVRXAED-UHFFFAOYSA-N 0 0 422.506 5.186 50 30 HKEARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)c2ccc(C#N)cc2)cc1 ZINC000033115571 558874917 /nfs/dbraw/zinc/87/49/17/558874917.db2.gz KKOXHFQIOPIYDX-SANMLTNESA-N 0 0 403.485 5.403 50 30 HKEARN N#Cc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 ZINC000033129612 558885442 /nfs/dbraw/zinc/88/54/42/558885442.db2.gz OLDXRNKZNXIFAI-UHFFFAOYSA-N 0 0 400.825 5.181 50 30 HKEARN C=CCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nnc1-c1ccccc1 ZINC000033130638 558886960 /nfs/dbraw/zinc/88/69/60/558886960.db2.gz NAVPPKMALDIUGX-UHFFFAOYSA-N 0 0 402.523 5.695 50 30 HKEARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033152982 526941757 /nfs/dbraw/zinc/94/17/57/526941757.db2.gz NESPTPIHXFQZCJ-BLFRMDKKSA-N 0 0 401.447 5.403 50 30 HKEARN S=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1 ZINC000033154809 526383092 /nfs/dbraw/zinc/38/30/92/526383092.db2.gz FIMQOSNWQPXMAW-NDENLUEZSA-N 0 0 400.301 5.030 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000033154955 527042302 /nfs/dbraw/zinc/04/23/02/527042302.db2.gz WEXDYYIKSKVZOI-STZFKDTASA-N 0 0 420.921 5.811 50 30 HKEARN COc1ccc(/C=C\C(=O)c2c(C)nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 ZINC000033246269 523432853 /nfs/dbraw/zinc/43/28/53/523432853.db2.gz FPFUZDZZXMDMPL-GDNBJRDFSA-N 0 0 424.456 6.023 50 30 HKEARN Clc1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Br)cc2)cc1 ZINC000033246982 526954743 /nfs/dbraw/zinc/95/47/43/526954743.db2.gz VPUSJSOZRREUOG-ZMOGYAJESA-N 0 0 424.729 6.251 50 30 HKEARN O=C1c2ccccc2S/C1=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000033247080 527135655 /nfs/dbraw/zinc/13/56/55/527135655.db2.gz UVNUJQAWBGMKJA-FSJBWODESA-N 0 0 419.908 6.812 50 30 HKEARN O=C(/C=C\C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1cccs1 ZINC000033248947 527652521 /nfs/dbraw/zinc/65/25/21/527652521.db2.gz RZAGGYXGZSKSJM-POUWIMNSSA-N 0 0 420.533 7.123 50 30 HKEARN O=C(/C=C\C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1cccs1 ZINC000033248948 527652425 /nfs/dbraw/zinc/65/24/25/527652425.db2.gz RZAGGYXGZSKSJM-VSAWTJFQSA-N 0 0 420.533 7.123 50 30 HKEARN C=CCn1c(SCc2cccc(F)c2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033267935 519243597 /nfs/dbraw/zinc/24/35/97/519243597.db2.gz OVNXUHFHBBEYHM-UHFFFAOYSA-N 0 0 405.498 5.019 50 30 HKEARN C=CCn1c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033267936 519240491 /nfs/dbraw/zinc/24/04/91/519240491.db2.gz UKMLBWYEJGMKCC-UHFFFAOYSA-N 0 0 405.498 5.019 50 30 HKEARN C=CCn1c(SCc2ccc(C)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033267937 519239870 /nfs/dbraw/zinc/23/98/70/519239870.db2.gz GGXMRXVUXIGSEN-UHFFFAOYSA-N 0 0 401.535 5.189 50 30 HKEARN O=C1/C(=C\c2ccc(O)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000033286259 526946738 /nfs/dbraw/zinc/94/67/38/526946738.db2.gz OXVYFQRFUFHQQR-LBMUFILHSA-N 0 0 400.503 5.065 50 30 HKEARN COc1cc(Cl)cc(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1OC ZINC000033293442 522531197 /nfs/dbraw/zinc/53/11/97/522531197.db2.gz FBGILUHVCUODSI-FRKPEAEDSA-N 0 0 423.321 5.211 50 30 HKEARN C=CCN1c2ccccc2C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)C1=O ZINC000033293445 518877796 /nfs/dbraw/zinc/87/77/96/518877796.db2.gz KGNOVCNOGNYPQF-ISLYRVAYSA-N 0 0 409.898 5.283 50 30 HKEARN COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Cl)c1OC ZINC000033293481 521953145 /nfs/dbraw/zinc/95/31/45/521953145.db2.gz RDFMGTCYJODZGE-CXUHLZMHSA-N 0 0 423.321 5.211 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000033293967 527043551 /nfs/dbraw/zinc/04/35/51/527043551.db2.gz BSZUWADRYHNHQV-SFQUDFHCSA-N 0 0 418.503 5.199 50 30 HKEARN CC/N=C1\S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1CC ZINC000033293972 520206397 /nfs/dbraw/zinc/20/63/97/520206397.db2.gz KIRGSLBBEMBQPU-HPGAWOKTSA-N 0 0 405.926 5.199 50 30 HKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 ZINC000033295988 559047394 /nfs/dbraw/zinc/04/73/94/559047394.db2.gz MANGFGHGCHDVHO-URVUXULASA-N 0 0 413.527 5.219 50 30 HKEARN C=C(C)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000033313199 518613399 /nfs/dbraw/zinc/61/33/99/518613399.db2.gz IUBKJKNYQQPXPB-XDHOZWIPSA-N 0 0 411.299 5.210 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033321180 526676189 /nfs/dbraw/zinc/67/61/89/526676189.db2.gz RBAVNNZATBLEHR-QKKBWIMNSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033321181 526675818 /nfs/dbraw/zinc/67/58/18/526675818.db2.gz RBAVNNZATBLEHR-LHSJRXKWSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321182 526676560 /nfs/dbraw/zinc/67/65/60/526676560.db2.gz RBAVNNZATBLEHR-SZNDQCEHSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321183 526675255 /nfs/dbraw/zinc/67/52/55/526675255.db2.gz RBAVNNZATBLEHR-SPLOXXLWSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033321192 526676570 /nfs/dbraw/zinc/67/65/70/526676570.db2.gz OAIPZAXTKAQNOW-QKKBWIMNSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033321193 526675649 /nfs/dbraw/zinc/67/56/49/526675649.db2.gz OAIPZAXTKAQNOW-LHSJRXKWSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321194 526676603 /nfs/dbraw/zinc/67/66/03/526676603.db2.gz OAIPZAXTKAQNOW-SZNDQCEHSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321195 526675606 /nfs/dbraw/zinc/67/56/06/526675606.db2.gz OAIPZAXTKAQNOW-SPLOXXLWSA-N 0 0 406.869 5.300 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000033321216 521275277 /nfs/dbraw/zinc/27/52/77/521275277.db2.gz LVXTXYKKNUBHIF-MWTRTKDXSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1 ZINC000033321217 521248248 /nfs/dbraw/zinc/24/82/48/521248248.db2.gz LVXTXYKKNUBHIF-WAIKUNEKSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000033321218 521275041 /nfs/dbraw/zinc/27/50/41/521275041.db2.gz LVXTXYKKNUBHIF-HJPURHCSSA-N 0 0 416.477 5.046 50 30 HKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1 ZINC000033321219 521248937 /nfs/dbraw/zinc/24/89/37/521248937.db2.gz LVXTXYKKNUBHIF-QMHKHESXSA-N 0 0 416.477 5.046 50 30 HKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S ZINC000033321705 518826558 /nfs/dbraw/zinc/82/65/58/518826558.db2.gz WWXOTBPVXREBAE-ZHZULCJRSA-N 0 0 411.548 5.052 50 30 HKEARN CC(C)CNc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N ZINC000033324433 559058278 /nfs/dbraw/zinc/05/82/78/559058278.db2.gz RHMLPWSKHIOGRI-UHFFFAOYSA-N 0 0 416.275 5.216 50 30 HKEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N ZINC000033324434 559058291 /nfs/dbraw/zinc/05/82/91/559058291.db2.gz FLLFLLSFFOUUKV-GFCCVEGCSA-N 0 0 416.275 5.358 50 30 HKEARN CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N ZINC000033324435 559058287 /nfs/dbraw/zinc/05/82/87/559058287.db2.gz FLLFLLSFFOUUKV-LBPRGKRZSA-N 0 0 416.275 5.358 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCc1ccc(F)cc1 ZINC000033324439 559058285 /nfs/dbraw/zinc/05/82/85/559058285.db2.gz WYFLQYJGAVOACE-UHFFFAOYSA-N 0 0 423.831 5.790 50 30 HKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)cc1 ZINC000033324449 559058283 /nfs/dbraw/zinc/05/82/83/559058283.db2.gz KGMNPXPPQQOPSM-UHFFFAOYSA-N 0 0 421.840 5.791 50 30 HKEARN C[C@@H](Nc1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N)c1ccccc1 ZINC000033324454 559058238 /nfs/dbraw/zinc/05/82/38/559058238.db2.gz JYOKPDQSDCGAEX-OAHLLOKOSA-N 0 0 419.868 6.212 50 30 HKEARN C[C@H](Nc1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N)c1ccccc1 ZINC000033324455 559058272 /nfs/dbraw/zinc/05/82/72/559058272.db2.gz JYOKPDQSDCGAEX-HNNXBMFYSA-N 0 0 419.868 6.212 50 30 HKEARN N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCc1cccnc1 ZINC000033324457 559058230 /nfs/dbraw/zinc/05/82/30/559058230.db2.gz MEEMABZWEFBXJU-UHFFFAOYSA-N 0 0 406.829 5.046 50 30 HKEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 ZINC000033324468 559058237 /nfs/dbraw/zinc/05/82/37/559058237.db2.gz HSVFGQFKQOXFHE-HUUCEWRRSA-N 0 0 411.889 5.521 50 30 HKEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 ZINC000033324469 559058275 /nfs/dbraw/zinc/05/82/75/559058275.db2.gz HSVFGQFKQOXFHE-GASCZTMLSA-N 0 0 411.889 5.521 50 30 HKEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 ZINC000033324470 559058229 /nfs/dbraw/zinc/05/82/29/559058229.db2.gz HSVFGQFKQOXFHE-GJZGRUSLSA-N 0 0 411.889 5.521 50 30 HKEARN CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N ZINC000033324475 559058240 /nfs/dbraw/zinc/05/82/40/559058240.db2.gz WDCVOWUDVMXEIA-UHFFFAOYSA-N 0 0 419.868 5.675 50 30 HKEARN Cc1noc2c1[C@H](c1ccccc1F)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324913 526676322 /nfs/dbraw/zinc/67/63/22/526676322.db2.gz SCCMPDGGCISVNS-QKKBWIMNSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1ccccc1F)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324914 526676269 /nfs/dbraw/zinc/67/62/69/526676269.db2.gz SCCMPDGGCISVNS-LHSJRXKWSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@H](c1ccccc1F)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324915 526676302 /nfs/dbraw/zinc/67/63/02/526676302.db2.gz SCCMPDGGCISVNS-SZNDQCEHSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@@H](c1ccccc1F)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324916 526675559 /nfs/dbraw/zinc/67/55/59/526675559.db2.gz SCCMPDGGCISVNS-SPLOXXLWSA-N 0 0 408.860 5.734 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324921 526676473 /nfs/dbraw/zinc/67/64/73/526676473.db2.gz UHTCMSHZLRWRSP-BTYIYWSLSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(O)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324922 526675865 /nfs/dbraw/zinc/67/58/65/526675865.db2.gz UHTCMSHZLRWRSP-YCRPNKLZSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324923 526676224 /nfs/dbraw/zinc/67/62/24/526676224.db2.gz UHTCMSHZLRWRSP-VFNWGFHPSA-N 0 0 406.869 5.300 50 30 HKEARN Cc1noc2c1[C@@H](c1cccc(O)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324924 526675509 /nfs/dbraw/zinc/67/55/09/526675509.db2.gz UHTCMSHZLRWRSP-QVKFZJNVSA-N 0 0 406.869 5.300 50 30 HKEARN O=C1/C(=C\c2cccc(F)c2)CN(Cc2ccccc2)C/C1=C/c1cccc(F)c1 ZINC000033340889 526946870 /nfs/dbraw/zinc/94/68/70/526946870.db2.gz SJDWRYZWCMBXBE-YFBGDSSHSA-N 0 0 401.456 5.517 50 30 HKEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc(F)cc1F ZINC000033345694 523409826 /nfs/dbraw/zinc/40/98/26/523409826.db2.gz VZVDFIWSIBKAGQ-PDGQHHTCSA-N 0 0 406.428 5.765 50 30 HKEARN CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/Cc1ccccc1 ZINC000033347314 520556255 /nfs/dbraw/zinc/55/62/55/520556255.db2.gz QGXOAGMWQOLCDK-LNZAWAQUSA-N 0 0 409.580 5.329 50 30 HKEARN CCCCc1ccc(-n2c(C)cc(/C=N\NC(=S)Nc3ccccc3)c2C)cc1 ZINC000033347343 521264116 /nfs/dbraw/zinc/26/41/16/521264116.db2.gz LUSNKOIYHHWIIP-UQQQWYQISA-N 0 0 404.583 5.757 50 30 HKEARN O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033347568 526946374 /nfs/dbraw/zinc/94/63/74/526946374.db2.gz XCNPPMMIWPMXFF-KWPJTZOTSA-N 0 0 406.510 6.648 50 30 HKEARN O=C1c2ccccc2S/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033347587 527135844 /nfs/dbraw/zinc/13/58/44/527135844.db2.gz CXAOGIXDVASSPK-RGVLZGJSSA-N 0 0 420.402 5.625 50 30 HKEARN CN1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)C1 ZINC000033347864 523739335 /nfs/dbraw/zinc/73/93/35/523739335.db2.gz KNIUVCCZZZCRBA-SWRBISBUSA-N 0 0 401.594 6.263 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000033347958 527041867 /nfs/dbraw/zinc/04/18/67/527041867.db2.gz SCEIGZQADZCQNZ-STZFKDTASA-N 0 0 420.921 5.811 50 30 HKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)ccc1OC(C)C ZINC000033348171 520631508 /nfs/dbraw/zinc/63/15/08/520631508.db2.gz OBQZJIPHBXFWBM-UNOMPAQXSA-N 0 0 416.930 5.418 50 30 HKEARN COc1ccc(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c2ccccc12 ZINC000033348330 523411785 /nfs/dbraw/zinc/41/17/85/523411785.db2.gz NSOGXAPDJGIUCV-RGVLZGJSSA-N 0 0 408.910 5.702 50 30 HKEARN C/N=C1\S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1C ZINC000033348829 518573910 /nfs/dbraw/zinc/57/39/10/518573910.db2.gz UBGAKPGFAVDZSH-WFAMMYHVSA-N 0 0 407.322 5.104 50 30 HKEARN CCOc1ccc(/C=C2/CN(C(C)C)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000033348976 520847153 /nfs/dbraw/zinc/84/71/53/520847153.db2.gz AFZACBCUIPTJIS-OZKZUFLSSA-N 0 0 405.538 5.244 50 30 HKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccccc1Sc1ccc(Cl)cc1 ZINC000033349144 527042551 /nfs/dbraw/zinc/04/25/51/527042551.db2.gz ISEZDGRLXZYELG-ZHZULCJRSA-N 0 0 422.962 6.383 50 30 HKEARN O=C1c2ccccc2C/C1=C\c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000033349855 527132002 /nfs/dbraw/zinc/13/20/02/527132002.db2.gz AJCRCOONDLYRKW-OQLLNIDSSA-N 0 0 415.798 6.369 50 30 HKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)ccc3NC(C)(C)C2=S)S1 ZINC000033352003 519370365 /nfs/dbraw/zinc/37/03/65/519370365.db2.gz VURLRJSHWOZOJJ-PYCFMQQDSA-N 0 0 423.628 6.675 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1 ZINC000033353027 519994147 /nfs/dbraw/zinc/99/41/47/519994147.db2.gz XSWGQZCVCBXQPQ-UHFFFAOYSA-N 0 0 423.685 8.831 50 30 HKEARN CCCCCCCCCCCCCCCCCCc1ccc(S(N)(=O)=O)cc1 ZINC000033353038 519996666 /nfs/dbraw/zinc/99/66/66/519996666.db2.gz IZNMEZOHDJECMH-UHFFFAOYSA-N 0 0 409.680 7.138 50 30 HKEARN Fc1nc(F)c(F)c(Oc2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c1F ZINC000033353682 526426986 /nfs/dbraw/zinc/42/69/86/526426986.db2.gz KJROPBSBPLKDFO-UHFFFAOYSA-N 0 0 419.149 5.557 50 30 HKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCCC)cc3)n2)cc1 ZINC000033354389 520069219 /nfs/dbraw/zinc/06/92/19/520069219.db2.gz UJKLJMRBUGMDCL-UHFFFAOYSA-N 0 0 404.598 8.039 50 30 HKEARN CCCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCCC ZINC000033354466 520038961 /nfs/dbraw/zinc/03/89/61/520038961.db2.gz BMDRZANGYOQWPL-UHFFFAOYSA-N 0 0 400.604 5.940 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(N(C)C)c1 ZINC000033354699 519993537 /nfs/dbraw/zinc/99/35/37/519993537.db2.gz MYBWKZDSUTUNPJ-UHFFFAOYSA-N 0 0 402.667 7.953 50 30 biogenic HKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCC2=CCCCC2)cc1 ZINC000033354729 520021445 /nfs/dbraw/zinc/02/14/45/520021445.db2.gz HDJQJUPCQGLFDA-UHFFFAOYSA-N 0 0 400.607 7.218 50 30 HKEARN CCCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)c(OC)c1 ZINC000033354894 519992622 /nfs/dbraw/zinc/99/26/22/519992622.db2.gz HNYZYMDJMVNFIH-ZZIIXHQDSA-N 0 0 417.678 8.384 50 30 HKEARN CCCCCCCCCCCCCCCCCC/N=C/c1cccc([N+](=O)[O-])c1 ZINC000033354895 519992957 /nfs/dbraw/zinc/99/29/57/519992957.db2.gz CYJAUTJCVVTAMF-WNAAXNPUSA-N 0 0 402.623 8.275 50 30 HKEARN Fc1c(F)c(F)c2c(c1F)Sc1c(F)c(F)c(F)c(F)c1N2c1ccccc1 ZINC000033355228 526293126 /nfs/dbraw/zinc/29/31/26/526293126.db2.gz SXZQZVTWISOTEA-UHFFFAOYSA-N 0 0 419.296 6.734 50 30 HKEARN CC(C)(C#N)c1ccc(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cc1 ZINC000033359412 518508292 /nfs/dbraw/zinc/50/82/92/518508292.db2.gz BFZRWFNXSNWGCF-UHFFFAOYSA-N 0 0 411.259 5.450 50 30 HKEARN CSC(=Nc1ccc(/C=C\c2ccc(N=C(SC)SC)cc2)cc1)SC ZINC000033369221 525286524 /nfs/dbraw/zinc/28/65/24/525286524.db2.gz CBTZRSAFQVVSGD-WAYWQWQTSA-N 0 0 418.678 7.284 50 30 HKEARN O=C(/C=C\c1cccc(Cl)c1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000033376692 527656791 /nfs/dbraw/zinc/65/67/91/527656791.db2.gz YJYNEOWRYSAIGL-PQMHYQBVSA-N 0 0 416.857 5.143 50 30 HKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(Oc4ccccc4)c3)n2)c1 ZINC000033377354 527383201 /nfs/dbraw/zinc/38/32/01/527383201.db2.gz PCAGGMXELFQTTF-OEAKJJBVSA-N 0 0 416.462 5.957 50 30 HKEARN COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000033378859 523434510 /nfs/dbraw/zinc/43/45/10/523434510.db2.gz KMPULMSHNFVSPZ-ZSOIEALJSA-N 0 0 422.864 5.473 50 30 HKEARN CCOc1cc(C=NNc2cccc(C(F)(F)F)c2)c(Br)cc1OC ZINC000033382125 520647820 /nfs/dbraw/zinc/64/78/20/520647820.db2.gz XTPZOBYHROXKND-YVNNLAQVSA-N 0 0 417.225 5.321 50 30 HKEARN CCOc1ccc2nc(S/C=C\C(=O)c3ccc(Br)cc3)sc2c1 ZINC000033384386 521308459 /nfs/dbraw/zinc/30/84/59/521308459.db2.gz WEXGAOSFINPVRF-KTKRTIGZSA-N 0 0 420.353 5.946 50 30 HKEARN O=C1/C(=C/c2ccccc2OC(F)F)CCC/C1=C/c1ccccc1OC(F)F ZINC000033385687 526942652 /nfs/dbraw/zinc/94/26/52/526942652.db2.gz GZTANQRBMICPHN-RFTYBOQRSA-N 0 0 406.375 6.109 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000033386839 523606696 /nfs/dbraw/zinc/60/66/96/523606696.db2.gz XIHYHVVFWMMUCK-MNWLEOAJSA-N 0 0 417.534 5.093 50 30 HKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccc(Br)cc1 ZINC000033389032 519120527 /nfs/dbraw/zinc/12/05/27/519120527.db2.gz FNWPWQIDILMVBL-UCQKPKSFSA-N 0 0 407.315 5.389 50 30 HKEARN O=C1/C(=C\c2ccc(Br)cc2)CC/C1=C/c1ccccc1OC(F)F ZINC000033389776 526946946 /nfs/dbraw/zinc/94/69/46/526946946.db2.gz XNSQNQUDMAXKHA-NFLUSIDLSA-N 0 0 405.238 5.880 50 30 HKEARN C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000033390007 525621196 /nfs/dbraw/zinc/62/11/96/525621196.db2.gz LLWGNAGAPXUASA-ZKHVIILWSA-N 0 0 407.926 5.347 50 30 HKEARN CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 ZINC000033400314 520393451 /nfs/dbraw/zinc/39/34/51/520393451.db2.gz ILAAJMWXHYLNQV-XSFVSMFZSA-N 0 0 419.502 5.524 50 30 HKEARN Cc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1 ZINC000033400571 526080817 /nfs/dbraw/zinc/08/08/17/526080817.db2.gz YPJGDXKXKPZGCS-HKOYGPOVSA-N 0 0 417.512 6.394 50 30 HKEARN O=C(/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000033400691 527590968 /nfs/dbraw/zinc/59/09/68/527590968.db2.gz RXNCUZOGZHQKPT-NBVRZTHBSA-N 0 0 403.279 5.749 50 30 HKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000033402815 524035239 /nfs/dbraw/zinc/03/52/39/524035239.db2.gz NWYCGIGOSCDJJB-YRMQSZDBSA-N 0 0 416.546 5.176 50 30 HKEARN CCN(CC)c1ccc(/C=C2/CCC/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000033402825 520879490 /nfs/dbraw/zinc/87/94/90/520879490.db2.gz LIFWPLOFXPGAJJ-VQINFILPSA-N 0 0 416.609 6.599 50 30 HKEARN COc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033417150 521949437 /nfs/dbraw/zinc/94/94/37/521949437.db2.gz XFPBVSLAUKWNBE-PDGQHHTCSA-N 0 0 406.865 5.586 50 30 HKEARN O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000033417153 527658336 /nfs/dbraw/zinc/65/83/36/527658336.db2.gz POTJOUWUAUYROC-OBIZFTICSA-N 0 0 415.876 5.523 50 30 HKEARN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000033417155 527657655 /nfs/dbraw/zinc/65/76/55/527657655.db2.gz POTJOUWUAUYROC-NYURDRINSA-N 0 0 415.876 5.523 50 30 HKEARN Cc1ccc(Sc2ccc(/C=C3/CCc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 ZINC000033420781 525670338 /nfs/dbraw/zinc/67/03/38/525670338.db2.gz YOVIPNQJQNSFDB-RGEXLXHISA-N 0 0 401.487 6.267 50 30 HKEARN COc1ccc(Oc2ccc(/C=C3/CCc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 ZINC000033421929 524992797 /nfs/dbraw/zinc/99/27/97/524992797.db2.gz PWMDCIGQTYBHIG-JXAWBTAJSA-N 0 0 401.418 5.608 50 30 HKEARN Cc1ccc(Sc2ccc(/C=C3/COc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 ZINC000033422035 525670804 /nfs/dbraw/zinc/67/08/04/525670804.db2.gz MHNUQSIFYJMURY-ATVHPVEESA-N 0 0 403.459 5.713 50 30 HKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000033423910 523541116 /nfs/dbraw/zinc/54/11/16/523541116.db2.gz FYSDRTSQVDPCRN-LFIBNONCSA-N 0 0 414.892 6.097 50 30 HKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000033424188 523542425 /nfs/dbraw/zinc/54/24/25/523542425.db2.gz RMXSRFLAHUJHEC-SFQUDFHCSA-N 0 0 410.473 5.453 50 30 HKEARN COC(=O)c1ccc(COc2ccc(/C=C3/CSc4ccccc4C3=O)cc2)cc1 ZINC000033424874 522046282 /nfs/dbraw/zinc/04/62/82/522046282.db2.gz LMDXWIYYWPLEAN-ZHZULCJRSA-N 0 0 416.498 5.424 50 30 HKEARN COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033428421 521950419 /nfs/dbraw/zinc/95/04/19/521950419.db2.gz WLVUOPATIGFGQQ-ZHZULCJRSA-N 0 0 404.893 6.140 50 30 HKEARN CC(C)(C)[C@@H]1CCC[C@@H](C(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O ZINC000033435771 571305191 /nfs/dbraw/zinc/30/51/91/571305191.db2.gz OIFIHEIMRZQFOM-ACYYHSRXSA-N 0 0 423.504 6.172 50 30 HKEARN CC(C)(C)[C@H]1CCC[C@@H](C(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O ZINC000033435772 571305256 /nfs/dbraw/zinc/30/52/56/571305256.db2.gz OIFIHEIMRZQFOM-WAEKDHKBSA-N 0 0 423.504 6.172 50 30 HKEARN CC(C)(C)[C@@H]1CCC[C@H](C(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O ZINC000033435773 571305230 /nfs/dbraw/zinc/30/52/30/571305230.db2.gz OIFIHEIMRZQFOM-NNHKJVDYSA-N 0 0 423.504 6.172 50 30 HKEARN CC(C)(C)[C@H]1CCC[C@H](C(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O ZINC000033435774 571305176 /nfs/dbraw/zinc/30/51/76/571305176.db2.gz OIFIHEIMRZQFOM-MBQYMCAJSA-N 0 0 423.504 6.172 50 30 HKEARN CC(C)(C)/N=C1\[C@@H]([NH+]2CCCC2)C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000033435820 121225972 /nfs/dbraw/zinc/22/59/72/121225972.db2.gz VORSLXAWSKRTLZ-ZBCDYPQOSA-N 0 0 401.982 5.299 50 30 HKEARN Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000033435834 524918791 /nfs/dbraw/zinc/91/87/91/524918791.db2.gz ZZQKGZIGAUAWLR-HELSZXIZSA-N 0 0 421.629 5.878 50 30 HKEARN Cc1ccc(N2C(=O)C3(CCCCC3)[C@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000033435835 524918879 /nfs/dbraw/zinc/91/88/79/524918879.db2.gz ZZQKGZIGAUAWLR-CZSVHLHGSA-N 0 0 421.629 5.878 50 30 HKEARN S=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@@H]([NH+]2CCCC2)C12CCCCC2 ZINC000033435860 526387082 /nfs/dbraw/zinc/38/70/82/526387082.db2.gz DUINUOPVOYFWBA-NJGKLKBPSA-N 0 0 409.643 5.980 50 30 HKEARN CC(C)(C)/N=C1\[C@@H]([NH+]2CCCC2)C2(CCCCC2)C(=S)N1c1ccc(C#N)cc1 ZINC000033435870 559193018 /nfs/dbraw/zinc/19/30/18/559193018.db2.gz NUKGVUKASKXCGQ-KZLURRSOSA-N 0 0 408.615 5.318 50 30 HKEARN C=CCc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000033436808 519126723 /nfs/dbraw/zinc/12/67/23/519126723.db2.gz DRRRFDMGOBVLBB-YVLHZVERSA-N 0 0 417.939 5.189 50 30 HKEARN O=C(/C=C\c1cccs1)c1cc(Br)ccc1OC(=O)c1ccco1 ZINC000033442044 527659405 /nfs/dbraw/zinc/65/94/05/527659405.db2.gz VOEIJODYSCHTGT-SREVYHEPSA-N 0 0 403.253 5.219 50 30 HKEARN COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC(=O)c2ccc(F)cc2)cc1OC ZINC000033442441 523433359 /nfs/dbraw/zinc/43/33/59/523433359.db2.gz ZKDWJIORYLRYIO-WZUFQYTHSA-N 0 0 420.436 5.267 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 ZINC000033442586 523534964 /nfs/dbraw/zinc/53/49/64/523534964.db2.gz HQBBVOLWTRAUHB-XSFVSMFZSA-N 0 0 415.445 5.277 50 30 HKEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000033452236 559193965 /nfs/dbraw/zinc/19/39/65/559193965.db2.gz CXXKDFDSGZQIGI-UHFFFAOYSA-N 0 0 420.468 6.035 50 30 HKEARN C=CCn1c(C)c(/C=C2/S/C(=N\c3ccc(Cl)cc3C)NC2=O)c2ccccc21 ZINC000033452269 519167602 /nfs/dbraw/zinc/16/76/02/519167602.db2.gz JQLVUHNHASXSBL-FYJGNVAPSA-N 0 0 421.953 5.989 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C\c2ccccc2F)c2nc3ccccc3o2)cc1 ZINC000033457356 520325627 /nfs/dbraw/zinc/32/56/27/520325627.db2.gz BIMZOCRPOBRNHL-CAPFRKAQSA-N 0 0 401.437 6.179 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000033467550 521119174 /nfs/dbraw/zinc/11/91/74/521119174.db2.gz YQUPKFFMVYWKGH-WHEZCBNMSA-N 0 0 422.598 5.085 50 30 HKEARN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C\C(=O)c1ccc2c(c1)OCCO2 ZINC000033497390 527535269 /nfs/dbraw/zinc/53/52/69/527535269.db2.gz HEGYSDSOJAFIIY-SREVYHEPSA-N 0 0 415.276 5.155 50 30 HKEARN COc1cccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c1OC ZINC000033502966 525761241 /nfs/dbraw/zinc/76/12/41/525761241.db2.gz ZNCFPQYFSIHZJD-OBGWFSINSA-N 0 0 401.487 5.737 50 30 HKEARN O=C1/C(=C/C=C\c2ccccc2)CN(Cc2ccccc2)C/C1=C/C=C\c1ccccc1 ZINC000033507350 526938371 /nfs/dbraw/zinc/93/83/71/526938371.db2.gz ACUDLGCHGBLTCW-DSDILHDUSA-N 0 0 417.552 6.351 50 30 HKEARN O=C1/C(=C/C=C\c2ccccc2)CN(Cc2ccccc2)C/C1=C/C=C/c1ccccc1 ZINC000033507354 526938110 /nfs/dbraw/zinc/93/81/10/526938110.db2.gz ACUDLGCHGBLTCW-UOERAFTDSA-N 0 0 417.552 6.351 50 30 HKEARN CC(C)c1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000033527511 519834263 /nfs/dbraw/zinc/83/42/63/519834263.db2.gz IJOGFPQYYMEHLQ-SRZZPIQSSA-N 0 0 400.345 6.142 50 30 HKEARN CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000033567463 520182631 /nfs/dbraw/zinc/18/26/31/520182631.db2.gz ZRTBQIULPYUWAF-WBILBPDKSA-N 0 0 422.598 5.796 50 30 HKEARN CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000033567464 520181435 /nfs/dbraw/zinc/18/14/35/520181435.db2.gz ZRTBQIULPYUWAF-KSXCTLEASA-N 0 0 422.598 5.796 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000033574379 559213860 /nfs/dbraw/zinc/21/38/60/559213860.db2.gz ZQJOPIFBUMYDLN-YYRKOSNBSA-N 0 0 409.511 5.331 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000033574380 559213824 /nfs/dbraw/zinc/21/38/24/559213824.db2.gz ZQJOPIFBUMYDLN-XMELGKRDSA-N 0 0 409.511 5.331 50 30 HKEARN O=C(/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1 ZINC000033594179 527591814 /nfs/dbraw/zinc/59/18/14/527591814.db2.gz QZXZDVDGNPCATO-SFQUDFHCSA-N 0 0 410.325 7.027 50 30 HKEARN O=C1/C(=C\c2ccc(Cl)cc2)CC(c2ccccc2)C/C1=C/c1ccc(Cl)cc1 ZINC000033654292 526945927 /nfs/dbraw/zinc/94/59/27/526945927.db2.gz QGYABMNFULJNKT-VMTNTFKOSA-N 0 0 419.351 7.607 50 30 HKEARN Cc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033658741 525959098 /nfs/dbraw/zinc/95/90/98/525959098.db2.gz JNSGQDXGOZIIKX-NEHLPSIOSA-N 0 0 415.474 5.712 50 30 HKEARN COc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O ZINC000033659774 521985552 /nfs/dbraw/zinc/98/55/52/521985552.db2.gz RCJGRGBNECZUTP-WAYWQWQTSA-N 0 0 401.178 5.078 50 30 HKEARN COc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3ccccc3Cl)cc2)cc1OC ZINC000033660416 523774104 /nfs/dbraw/zinc/77/41/04/523774104.db2.gz HYLOECVSWXEVBF-LCYFTJDESA-N 0 0 422.864 5.473 50 30 HKEARN CN1CCc2c(c(C#N)c(SC/C=C\c3ccccc3)nc2-c2cccs2)C1 ZINC000033672652 559227849 /nfs/dbraw/zinc/22/78/49/559227849.db2.gz XXMFCWYGYPAJQE-UITAMQMPSA-N 0 0 403.576 5.475 50 30 HKEARN CN1CCc2c(c(C#N)c(SC/C=C/c3ccccc3)nc2-c2cccs2)C1 ZINC000033672653 559227859 /nfs/dbraw/zinc/22/78/59/559227859.db2.gz XXMFCWYGYPAJQE-WEVVVXLNSA-N 0 0 403.576 5.475 50 30 HKEARN O=C(/C=C\Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 ZINC000033686857 527652754 /nfs/dbraw/zinc/65/27/54/527652754.db2.gz DCFYGBBSBNSQRB-WAYWQWQTSA-N 0 0 422.653 6.005 50 30 HKEARN CCOc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc1C ZINC000033688264 520850121 /nfs/dbraw/zinc/85/01/21/520850121.db2.gz SSWTXAZQGBWEJF-GZTJUZNOSA-N 0 0 417.328 5.048 50 30 HKEARN O=C(/C(=C\c1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000033690137 527590948 /nfs/dbraw/zinc/59/09/48/527590948.db2.gz PNNFGCWNESRPDF-NBVRZTHBSA-N 0 0 420.331 6.482 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)c2ccccc21 ZINC000033693224 519167630 /nfs/dbraw/zinc/16/76/30/519167630.db2.gz JKCKHWUASQSBBG-FYJGNVAPSA-N 0 0 421.953 6.180 50 30 HKEARN CC(C)(C)C(=CCc1ccc(Cl)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033702755 518550544 /nfs/dbraw/zinc/55/05/44/518550544.db2.gz YCMTVQSRPRHKHH-JKTNXHDXSA-N 0 0 402.838 5.684 50 30 HKEARN O=C1[C@H](C[C@@H]2CCC[C@@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 ZINC000033703855 559230710 /nfs/dbraw/zinc/23/07/10/559230710.db2.gz SRXHLHLYMDYESA-QXVOXHNYSA-N 0 0 400.559 5.059 50 30 biogenic HKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000033715547 527658387 /nfs/dbraw/zinc/65/83/87/527658387.db2.gz NFSBEGUMUMWDMQ-SSSWZJSRSA-N 0 0 419.864 5.111 50 30 HKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000033715548 527658047 /nfs/dbraw/zinc/65/80/47/527658047.db2.gz NFSBEGUMUMWDMQ-GJCOWUBNSA-N 0 0 419.864 5.111 50 30 HKEARN COc1ccc(/C=C\C(=O)c2ccccc2)cc1COc1ccc(Cl)cc1Cl ZINC000033718574 523436401 /nfs/dbraw/zinc/43/64/01/523436401.db2.gz WRYUJFMYNZGHDI-YFHOEESVSA-N 0 0 413.300 6.477 50 30 HKEARN COc1ccc(C(=O)Cn2c3ccccc3nc2C(=O)C=Cc2ccccc2C)cc1 ZINC000033752511 523595982 /nfs/dbraw/zinc/59/59/82/523595982.db2.gz SNYXNMQIVBRMIA-SSZFMOIBSA-N 0 0 410.473 5.132 50 30 HKEARN O=C(OCc1ccccc1)N1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000033758297 526427049 /nfs/dbraw/zinc/42/70/49/526427049.db2.gz PNVQIZTXRLTGFH-MGYAYREDSA-N 0 0 421.543 5.498 50 30 HKEARN O=C(OCc1ccccc1)N1C/C(=C/c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000033758298 526427107 /nfs/dbraw/zinc/42/71/07/526427107.db2.gz PNVQIZTXRLTGFH-BKHHGCLFSA-N 0 0 421.543 5.498 50 30 HKEARN C=CCn1c(/C=C(\OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000033761534 519150994 /nfs/dbraw/zinc/15/09/94/519150994.db2.gz CNQNRKSBSMOSIA-KQWNVCNZSA-N 0 0 416.427 5.856 50 30 HKEARN O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(OC(F)F)cc1OC(F)F ZINC000033762641 527657028 /nfs/dbraw/zinc/65/70/28/527657028.db2.gz SUJSXXCGOIMCKY-DAXSKMNVSA-N 0 0 409.162 6.092 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000033766799 521252736 /nfs/dbraw/zinc/25/27/36/521252736.db2.gz PWEBKOBRFDZTTM-JYAWBRCSSA-N 0 0 423.582 5.336 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000033768166 523536732 /nfs/dbraw/zinc/53/67/32/523536732.db2.gz IPRIEITZVJIMFM-XMHGGMMESA-N 0 0 400.390 5.168 50 30 HKEARN O=C(/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000033773644 527591760 /nfs/dbraw/zinc/59/17/60/527591760.db2.gz SVPYAQZXNHFVQT-NBVRZTHBSA-N 0 0 403.279 5.749 50 30 HKEARN C=CCn1c(C)c(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c2ccccc21 ZINC000033778098 519166884 /nfs/dbraw/zinc/16/68/84/519166884.db2.gz BLUPNJCNWDHCCM-FYJGNVAPSA-N 0 0 421.953 6.180 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000033784072 523421811 /nfs/dbraw/zinc/42/18/11/523421811.db2.gz GMUAHLKPDUUAGK-JYAWBRCSSA-N 0 0 417.534 5.093 50 30 HKEARN CC(C)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000033793221 519834298 /nfs/dbraw/zinc/83/42/98/519834298.db2.gz RWWPLANHRNFNMR-CTVDDJEBSA-N 0 0 414.633 8.426 50 30 HKEARN CCCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2)c2nc3ccccc3o2)cc1 ZINC000033826825 520326504 /nfs/dbraw/zinc/32/65/04/520326504.db2.gz AGNUDXZJENZPBB-OQKWZONESA-N 0 0 413.473 6.049 50 30 HKEARN CCCCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 ZINC000033861487 571316228 /nfs/dbraw/zinc/31/62/28/571316228.db2.gz BRNPAEUKZMBRLQ-UHFFFAOYSA-N 0 0 422.606 7.222 50 30 HKEARN O=C(/C=C\c1ccco1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000033906720 527658620 /nfs/dbraw/zinc/65/86/20/527658620.db2.gz QREHRPYUBWNHDV-LUAWRHEFSA-N 0 0 420.262 5.447 50 30 HKEARN Cc1cccc(C(=O)Oc2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2)c1 ZINC000033908165 524225203 /nfs/dbraw/zinc/22/52/03/524225203.db2.gz JQCDXIUBDVDRRX-QNGOZBTKSA-N 0 0 414.486 5.106 50 30 HKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccco1 ZINC000033909342 527132739 /nfs/dbraw/zinc/13/27/39/527132739.db2.gz HWNWGGDGWZCNIV-BENRWUELSA-N 0 0 418.290 6.462 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033921817 527139386 /nfs/dbraw/zinc/13/93/86/527139386.db2.gz LCTAHPLEMDIDLD-ZROIWOOFSA-N 0 0 418.323 7.413 50 30 HKEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1 ZINC000033921940 518847185 /nfs/dbraw/zinc/84/71/85/518847185.db2.gz LMJBAFBJSQSOCM-VDSIAQTOSA-N 0 0 415.518 5.009 50 30 HKEARN C=CCOC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000033923887 518977689 /nfs/dbraw/zinc/97/76/89/518977689.db2.gz XKOWSQXADKFMIL-OQLLNIDSSA-N 0 0 405.884 5.272 50 30 HKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc(OC)cc4)c3c2C1 ZINC000033930511 558772223 /nfs/dbraw/zinc/77/22/23/558772223.db2.gz HACOCPQNJRFEFM-JEWIKEISSA-N 0 0 422.598 6.077 50 30 HKEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000033932725 523423260 /nfs/dbraw/zinc/42/32/60/523423260.db2.gz JDNUEOWPQRBVJU-JYAWBRCSSA-N 0 0 417.534 5.093 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000033957389 525350943 /nfs/dbraw/zinc/35/09/43/525350943.db2.gz XQQADLVGNFCRTE-UUQDEERNSA-N 0 0 424.947 6.516 50 30 HKEARN N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SC(F)(F)F ZINC000034046644 560563808 /nfs/dbraw/zinc/56/38/08/560563808.db2.gz FQXWEKADCSXYOC-UHFFFAOYSA-N 0 0 421.153 5.264 50 30 in-vitro HKEARN COc1cc(/C=C/C=C2/CCC/C(=C/C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000034074240 560566537 /nfs/dbraw/zinc/56/65/37/560566537.db2.gz QTCFGIPIXZIJHC-WCTZNUABSA-N 0 0 418.489 5.447 50 30 HKEARN CC(C)(C)c1cc(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc(C(C)(C)C)c1O ZINC000034100175 519001138 /nfs/dbraw/zinc/00/11/38/519001138.db2.gz ANQDOUCWVFVYJD-UHFFFAOYSA-N 0 0 423.641 7.587 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000034112431 525350299 /nfs/dbraw/zinc/35/02/99/525350299.db2.gz PROGDNSPTJYDEC-YHSZCRTBSA-N 0 0 424.487 6.112 50 30 HKEARN O=C(/C=C\c1ccc2c(c1)OCCCO2)c1cc(F)ccc1OCc1ccccc1 ZINC000034257726 527656218 /nfs/dbraw/zinc/65/62/18/527656218.db2.gz FPYMZELCSOUODX-YFHOEESVSA-N 0 0 404.437 5.462 50 30 HKEARN C[C@@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C=C21 ZINC000034329151 524466103 /nfs/dbraw/zinc/46/61/03/524466103.db2.gz HKAPCUHZEFKGQP-JTSKRJEESA-N 0 0 406.522 5.716 50 30 HKEARN C[C@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C=C21 ZINC000034329152 524153306 /nfs/dbraw/zinc/15/33/06/524153306.db2.gz HKAPCUHZEFKGQP-VGSWGCGISA-N 0 0 406.522 5.716 50 30 HKEARN C[C@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C=C21 ZINC000034329153 524154382 /nfs/dbraw/zinc/15/43/82/524154382.db2.gz HKAPCUHZEFKGQP-VGOFRKELSA-N 0 0 406.522 5.716 50 30 HKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](c2ccc(F)cc2)C1(C#N)C#N ZINC000034367319 526144652 /nfs/dbraw/zinc/14/46/52/526144652.db2.gz OQDJRLNLVPDQLH-VABKMULXSA-N 0 0 413.496 5.151 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000034378481 521253059 /nfs/dbraw/zinc/25/30/59/521253059.db2.gz WTXCCRJQCPCOEX-LSIOVLHASA-N 0 0 409.555 5.028 50 30 HKEARN Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(c(C)c(Cl)cc3C)C1=O)C2=O ZINC000034463328 524846569 /nfs/dbraw/zinc/84/65/69/524846569.db2.gz WNQYKPVIXDBBAO-FMQUCBEESA-N 0 0 421.370 6.716 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034711658 518946916 /nfs/dbraw/zinc/94/69/16/518946916.db2.gz LUSYQXFPRVTXSG-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCOc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000034711685 519007142 /nfs/dbraw/zinc/00/71/42/519007142.db2.gz CCBGHVSLAKCVPS-UHFFFAOYSA-N 0 0 404.413 5.646 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034711983 518946841 /nfs/dbraw/zinc/94/68/41/518946841.db2.gz ZYMNVYBRVIPLMX-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000034712029 518947624 /nfs/dbraw/zinc/94/76/24/518947624.db2.gz HIJUSQVEHIKDPK-UHFFFAOYSA-N 0 0 402.878 5.097 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000034712057 518946815 /nfs/dbraw/zinc/94/68/15/518946815.db2.gz JHAHKLQZSKFQFH-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN C=CCNC(=O)c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034712932 518947559 /nfs/dbraw/zinc/94/75/59/518947559.db2.gz XRQZGOIZNRQBSV-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCNC(=O)c1csc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000034713001 518946666 /nfs/dbraw/zinc/94/66/66/518946666.db2.gz JTEFPAIUBJNAAC-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN C=CCNC(=O)c1csc(-c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000034713026 518947551 /nfs/dbraw/zinc/94/75/51/518947551.db2.gz LZBRGUDTUYPLFC-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN C=CCNC(=O)c1csc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)n1 ZINC000034713037 518946674 /nfs/dbraw/zinc/94/66/74/518946674.db2.gz BRHZAMPNGKRXRR-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1 ZINC000034713069 518947679 /nfs/dbraw/zinc/94/76/79/518947679.db2.gz KSBCLMRMMUBAAX-UHFFFAOYSA-N 0 0 402.878 5.097 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1 ZINC000034713114 518947184 /nfs/dbraw/zinc/94/71/84/518947184.db2.gz VNGYXXSQHJGACV-UHFFFAOYSA-N 0 0 402.878 5.097 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1 ZINC000034713129 518946548 /nfs/dbraw/zinc/94/65/48/518946548.db2.gz ZHOPRAQDBRDKFR-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1 ZINC000034713303 518947041 /nfs/dbraw/zinc/94/70/41/518947041.db2.gz PLKJGYLWNKWZOB-UHFFFAOYSA-N 0 0 402.878 5.097 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713475 518947206 /nfs/dbraw/zinc/94/72/06/518947206.db2.gz GLPGGBKCKAEWSA-UHFFFAOYSA-N 0 0 402.878 5.097 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2F)n1 ZINC000034713506 518947126 /nfs/dbraw/zinc/94/71/26/518947126.db2.gz JHDNVJUVYRRICK-UHFFFAOYSA-N 0 0 420.868 5.237 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1 ZINC000034713686 518946986 /nfs/dbraw/zinc/94/69/86/518946986.db2.gz HUEPPTYAWGWNAJ-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2cccc(C(F)(F)F)c2)n1 ZINC000034714260 518947403 /nfs/dbraw/zinc/94/74/03/518947403.db2.gz VRHNBECVHNCNQN-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1 ZINC000034714447 518947539 /nfs/dbraw/zinc/94/75/39/518947539.db2.gz DTTGUSGZXAWJSL-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000034714474 518947480 /nfs/dbraw/zinc/94/74/80/518947480.db2.gz YMUAGXZQRFGSLX-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN C=CCOc1cccc(-c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)c1 ZINC000034717378 519051595 /nfs/dbraw/zinc/05/15/95/519051595.db2.gz GGAXSTKTQOKTNR-UHFFFAOYSA-N 0 0 404.413 5.646 50 30 HKEARN O=C1c2ccccc2C/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000034719404 527131918 /nfs/dbraw/zinc/13/19/18/527131918.db2.gz UGUNDCMHMNUTSP-HKWRFOASSA-N 0 0 420.468 5.133 50 30 HKEARN C=CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000034737442 518910620 /nfs/dbraw/zinc/91/06/20/518910620.db2.gz FXQCWVJUKKZJAP-UHFFFAOYSA-N 0 0 420.557 5.258 50 30 HKEARN NC1=C(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)C(=O)CN1Cc1ccccc1 ZINC000034769691 527136557 /nfs/dbraw/zinc/13/65/57/527136557.db2.gz LFUMJPDSEBGKII-UHFFFAOYSA-N 0 0 423.541 5.189 50 30 HKEARN CC(C)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4Cl)cs3)=C2N)cc1 ZINC000034769978 519836731 /nfs/dbraw/zinc/83/67/31/519836731.db2.gz WQGBCBCCQIBHOG-UHFFFAOYSA-N 0 0 409.942 5.304 50 30 HKEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2cccc3ccccc32)c(C)c1 ZINC000034805497 525963538 /nfs/dbraw/zinc/96/35/38/525963538.db2.gz GIXWLNKBJJGFOB-ZJYJGZPJSA-N 0 0 401.535 5.311 50 30 HKEARN N#Cc1ccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000034805925 568827733 /nfs/dbraw/zinc/82/77/33/568827733.db2.gz SCDRETBOJOFBDH-HMAPJEAMSA-N 0 0 413.477 5.374 50 30 HKEARN N#Cc1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000034848096 568829267 /nfs/dbraw/zinc/82/92/67/568829267.db2.gz IECWGWMCVRZTDI-NTMALXAHSA-N 0 0 405.350 6.237 50 30 HKEARN Cc1cc(/C=C\C(=O)c2ccccc2)c2c(c1)C=C[C@]1(Oc3ccccc3C(=O)N1C)O2 ZINC000034848594 526094111 /nfs/dbraw/zinc/09/41/11/526094111.db2.gz WPSRXZHMOUHWJO-OFQPSRFPSA-N 0 0 423.468 5.115 50 30 HKEARN Cc1cc(/C=C\C(=O)c2ccccc2)c2c(c1)C=C[C@@]1(Oc3ccccc3C(=O)N1C)O2 ZINC000034848595 526093375 /nfs/dbraw/zinc/09/33/75/526093375.db2.gz WPSRXZHMOUHWJO-MEOKJUQFSA-N 0 0 423.468 5.115 50 30 HKEARN O=C1/C(=C\c2cccc(Cl)c2Cl)CCC/C1=C/c1cccc(Cl)c1Cl ZINC000034857244 526946937 /nfs/dbraw/zinc/94/69/37/526946937.db2.gz HUNYAVDCZBRPHW-HYQBVQLESA-N 0 0 412.143 7.520 50 30 HKEARN COc1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc(Br)c1O ZINC000034863920 521983052 /nfs/dbraw/zinc/98/30/52/521983052.db2.gz VIVGXPXXBDTJFK-GHXNOFRVSA-N 0 0 415.327 6.107 50 30 HKEARN N#C[C@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@@H]21 ZINC000034889421 526514305 /nfs/dbraw/zinc/51/43/05/526514305.db2.gz BCCSYYNPYNJQAW-ZJSXRUAMSA-N 0 0 401.897 5.196 50 30 HKEARN N#C[C@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@H]21 ZINC000034889422 526514876 /nfs/dbraw/zinc/51/48/76/526514876.db2.gz BCCSYYNPYNJQAW-XUZZJYLKSA-N 0 0 401.897 5.196 50 30 HKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1F ZINC000034909609 527659209 /nfs/dbraw/zinc/65/92/09/527659209.db2.gz VBBOZKVIVMHSKV-PFONDFGASA-N 0 0 408.432 6.321 50 30 HKEARN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000035045674 519834294 /nfs/dbraw/zinc/83/42/94/519834294.db2.gz QSAXWXIANQUWCD-HXNPFYCNSA-N 0 0 412.558 6.614 50 30 HKEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 ZINC000035087394 526473537 /nfs/dbraw/zinc/47/35/37/526473537.db2.gz WRDIHRGWMAJAKM-KAMYIIQDSA-N 0 0 409.272 5.709 50 30 HKEARN O=C(/C=C\c1ccccc1)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000035104743 527657851 /nfs/dbraw/zinc/65/78/51/527657851.db2.gz OKGMGDSLMCPGPB-WDZFZDKYSA-N 0 0 423.353 6.221 50 30 HKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000035126455 527042993 /nfs/dbraw/zinc/04/29/93/527042993.db2.gz KSARYMQPOVDXMP-WQRHYEAKSA-N 0 0 415.301 6.145 50 30 HKEARN COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(NC(=O)c3ccccc3)c21 ZINC000035326870 569032930 /nfs/dbraw/zinc/03/29/30/569032930.db2.gz XGHNOXGBBNUYIP-UHFFFAOYSA-N 0 0 413.502 5.542 50 30 HKEARN N#C[C@@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 ZINC000035335112 526503392 /nfs/dbraw/zinc/50/33/92/526503392.db2.gz ODRWOUKIHMCLJQ-GGAORHGYSA-N 0 0 416.506 5.095 50 30 HKEARN CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000035339773 522131467 /nfs/dbraw/zinc/13/14/67/522131467.db2.gz YYRDUGSLGUBVMO-PFMNSIPKSA-N 0 0 413.546 5.557 50 30 HKEARN O=C(/C(=C\c1cccc(Br)c1)c1nc2ccccc2s1)c1ccccc1 ZINC000035363808 527591228 /nfs/dbraw/zinc/59/12/28/527591228.db2.gz NTDJIYUWDWXTMP-NBVRZTHBSA-N 0 0 420.331 6.482 50 30 HKEARN CC(C)(C)C(=O)[C@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366033 518595223 /nfs/dbraw/zinc/59/52/23/518595223.db2.gz GRONKESKVLEQQO-BDTNDASRSA-N 0 0 415.924 5.482 50 30 HKEARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366061 518595459 /nfs/dbraw/zinc/59/54/59/518595459.db2.gz PFAOMULZVZAFSP-BDTNDASRSA-N 0 0 415.924 5.482 50 30 HKEARN COc1ccc(C(=O)/C=C\Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000035394087 523543882 /nfs/dbraw/zinc/54/38/82/523543882.db2.gz GEJXSURWPRDZRG-SREVYHEPSA-N 0 0 406.347 6.222 50 30 HKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1 ZINC000035396483 569034646 /nfs/dbraw/zinc/03/46/46/569034646.db2.gz KWJRPFUAWQSFJY-UHFFFAOYSA-N 0 0 413.521 5.449 50 30 HKEARN CN1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2Sc2ccccc2C1=O ZINC000035453748 569037783 /nfs/dbraw/zinc/03/77/83/569037783.db2.gz NFMKEGRWJAVWFK-UHFFFAOYSA-N 0 0 410.458 5.016 50 30 HKEARN CCN1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2Sc2ccccc2C1=O ZINC000035453789 569037794 /nfs/dbraw/zinc/03/77/94/569037794.db2.gz KYCGJEZIGZHRCS-UHFFFAOYSA-N 0 0 424.485 5.407 50 30 HKEARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000035489176 526240515 /nfs/dbraw/zinc/24/05/15/526240515.db2.gz AKQSEPMNORZAEK-WEWMWRJBSA-N 0 0 415.496 5.405 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000035653431 571304532 /nfs/dbraw/zinc/30/45/32/571304532.db2.gz VNVUJLSOMLVNKJ-UFFVCSGVSA-N 0 0 407.282 5.861 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000035653438 571304474 /nfs/dbraw/zinc/30/44/74/571304474.db2.gz PAIXHVQKZLOFBV-UFFVCSGVSA-N 0 0 407.282 5.861 50 30 HKEARN C=CCn1c(SCCOc2ccccc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000035655187 519235475 /nfs/dbraw/zinc/23/54/75/519235475.db2.gz QZTMLFLQTLTKQT-UHFFFAOYSA-N 0 0 407.495 5.057 50 30 HKEARN CCCCC1CCC(c2nc(C#N)c(NCCc3nc(-c4ccccc4)no3)o2)CC1 ZINC000035671834 569048519 /nfs/dbraw/zinc/04/85/19/569048519.db2.gz AQRDEIYDCUSTPS-UHFFFAOYSA-N 0 0 419.529 5.715 50 30 HKEARN CNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1=O ZINC000035820826 522577528 /nfs/dbraw/zinc/57/75/28/522577528.db2.gz MFZMNRDZDHTFGX-YVMONPNESA-N 0 0 413.098 5.054 50 30 HKEARN Cc1ccc(Cn2cccc2CN(Cc2ccccc2)Cc2ccccc2C#N)cc1 ZINC000035841074 569062296 /nfs/dbraw/zinc/06/22/96/569062296.db2.gz KPCKZTXDUXOMBM-UHFFFAOYSA-N 0 0 405.545 5.919 50 30 HKEARN C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(OC)c1 ZINC000035841231 518788629 /nfs/dbraw/zinc/78/86/29/518788629.db2.gz DUUABOFLUJBCPD-UHFFFAOYSA-N 0 0 414.471 5.752 50 30 HKEARN C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1C ZINC000035843362 518457021 /nfs/dbraw/zinc/45/70/21/518457021.db2.gz DYVACBCKDDLESY-BRPDVVIDSA-N 0 0 412.508 6.841 50 30 HKEARN C/C(=N/OCc1ccccc1)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C ZINC000035843370 518457306 /nfs/dbraw/zinc/45/73/06/518457306.db2.gz VCMZCRAQKBGWLH-USHMODERSA-N 0 0 414.936 7.047 50 30 HKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3)c(C)n2-c2cccc(C)c2)cc1 ZINC000035843388 523090431 /nfs/dbraw/zinc/09/04/31/523090431.db2.gz UGFCQXBKMPXTDL-ANYBSYGZSA-N 0 0 424.544 6.711 50 30 HKEARN C=CCO/N=C(/C)c1cc(-c2ccc(OC)cc2)n(-c2ccc(OC)c(OC)c2)c1C ZINC000035843395 518967541 /nfs/dbraw/zinc/96/75/41/518967541.db2.gz WFWCRSWYUAQFQM-ONUIUJJFSA-N 0 0 420.509 5.405 50 30 HKEARN COc1cccc(-c2cc(/C(C)=N\OCc3ccccc3)c(C)n2-c2ccccc2)c1 ZINC000035843399 525698014 /nfs/dbraw/zinc/69/80/14/525698014.db2.gz IRHUWXZQJAHVEV-RRAHZORUSA-N 0 0 410.517 6.402 50 30 HKEARN C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843433 518457756 /nfs/dbraw/zinc/45/77/56/518457756.db2.gz ASKCDQSSFLTPJK-MIXAMLLLSA-N 0 0 416.471 6.672 50 30 HKEARN C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843434 518457379 /nfs/dbraw/zinc/45/73/79/518457379.db2.gz BLNXVHLEYKDDJX-MIXAMLLLSA-N 0 0 416.471 6.672 50 30 HKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843436 518456714 /nfs/dbraw/zinc/45/67/14/518456714.db2.gz NYUCTVAHFOAKQG-BRPDVVIDSA-N 0 0 412.508 6.841 50 30 HKEARN C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843437 518457263 /nfs/dbraw/zinc/45/72/63/518457263.db2.gz ZMZFBXMNUKPAJK-BRPDVVIDSA-N 0 0 412.508 6.841 50 30 HKEARN C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843438 518457694 /nfs/dbraw/zinc/45/76/94/518457694.db2.gz FMSINRWOUGCWBR-MIXAMLLLSA-N 0 0 416.471 6.672 50 30 HKEARN C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843439 518457747 /nfs/dbraw/zinc/45/77/47/518457747.db2.gz KYILWAHUXNHAQD-BRPDVVIDSA-N 0 0 412.508 6.841 50 30 HKEARN C/C(=N/OCc1ccccc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843447 518456831 /nfs/dbraw/zinc/45/68/31/518456831.db2.gz KQGGAYBGWADLSC-BRPDVVIDSA-N 0 0 412.508 6.841 50 30 HKEARN C=CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843753 518787781 /nfs/dbraw/zinc/78/77/81/518787781.db2.gz VZPKNFARVUOAJH-UHFFFAOYSA-N 0 0 402.435 5.883 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)NCCCCCC)n2Cc1cccc(Cl)c1 ZINC000035908451 519064563 /nfs/dbraw/zinc/06/45/63/519064563.db2.gz RCVVSIKCVQBFKT-UHFFFAOYSA-N 0 0 424.972 6.218 50 30 HKEARN C=CCn1c(C(=O)N2CCC(C)CC2)cc2c1cccc2OCc1cccc(C)c1 ZINC000035908481 519165253 /nfs/dbraw/zinc/16/52/53/519165253.db2.gz BFLPONZDEXBHKU-UHFFFAOYSA-N 0 0 402.538 5.587 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)NC1CC1)n2Cc1ccc(C(C)(C)C)cc1 ZINC000035927717 519064627 /nfs/dbraw/zinc/06/46/27/519064627.db2.gz INHBNVFBVFVTSK-UHFFFAOYSA-N 0 0 402.538 5.444 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1ccccc1C ZINC000035927749 519061739 /nfs/dbraw/zinc/06/17/39/519061739.db2.gz GTTXJHJBTQSOEA-UHFFFAOYSA-N 0 0 402.538 5.435 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1c(F)cccc1F ZINC000035927861 519062210 /nfs/dbraw/zinc/06/22/10/519062210.db2.gz XYMDQPIZMKNFEU-UHFFFAOYSA-N 0 0 424.491 5.405 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cc(F)ccc1F ZINC000035927869 519064173 /nfs/dbraw/zinc/06/41/73/519064173.db2.gz YGSLGRDACHXSIM-UHFFFAOYSA-N 0 0 422.431 5.056 50 30 HKEARN C=CCOc1cccc2c1cc(C(=O)NC1CCCCC1)n2Cc1cc(F)ccc1F ZINC000035927870 519064326 /nfs/dbraw/zinc/06/43/26/519064326.db2.gz XEQACRREFNOESX-UHFFFAOYSA-N 0 0 424.491 5.595 50 30 HKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1 ZINC000035979829 518800288 /nfs/dbraw/zinc/80/02/88/518800288.db2.gz RFHUOWWAFKESGV-UHFFFAOYSA-N 0 0 418.299 5.206 50 30 HKEARN CCN1C/C(=C\c2cc(C)n(C3CC3)c2C)C(=O)/C(=C\c2cc(C)n(C3CC3)c2C)C1 ZINC000036011770 521541656 /nfs/dbraw/zinc/54/16/56/521541656.db2.gz YIHLOHRONKFZFI-NQGGHMMCSA-N 0 0 417.597 5.565 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000036020220 569078076 /nfs/dbraw/zinc/07/80/76/569078076.db2.gz AKQSEPMNORZAEK-OHSXHVKISA-N 0 0 415.496 5.405 50 30 HKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000036020222 569077997 /nfs/dbraw/zinc/07/79/97/569077997.db2.gz AKQSEPMNORZAEK-CMTIAEDTSA-N 0 0 415.496 5.405 50 30 HKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 ZINC000036022848 526430680 /nfs/dbraw/zinc/43/06/80/526430680.db2.gz MANGFGHGCHDVHO-SJBKTWHCSA-N 0 0 413.527 5.219 50 30 HKEARN C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023192 526009752 /nfs/dbraw/zinc/00/97/52/526009752.db2.gz CARBEWXCDALLEZ-CYUIRQCWSA-N 0 0 411.552 5.159 50 30 HKEARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023194 526010834 /nfs/dbraw/zinc/01/08/34/526010834.db2.gz CARBEWXCDALLEZ-FDIDITGRSA-N 0 0 411.552 5.159 50 30 HKEARN C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023226 526012849 /nfs/dbraw/zinc/01/28/49/526012849.db2.gz SRSFIVARBVIBSL-CPOQMQJTSA-N 0 0 411.571 5.479 50 30 HKEARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023229 526011601 /nfs/dbraw/zinc/01/16/01/526011601.db2.gz SRSFIVARBVIBSL-KWPCUBQOSA-N 0 0 411.571 5.479 50 30 HKEARN N#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CCCCCCCCCC2 ZINC000036030338 569079218 /nfs/dbraw/zinc/07/92/18/569079218.db2.gz RKHCJMJOEKYPMF-UHFFFAOYSA-N 0 0 412.375 6.184 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036031756 518796783 /nfs/dbraw/zinc/79/67/83/518796783.db2.gz NGWCIMIETZGEMZ-UHFFFAOYSA-N 0 0 412.942 5.512 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)Nc1ccc(C)cc1 ZINC000036032065 518796408 /nfs/dbraw/zinc/79/64/08/518796408.db2.gz SODCFAPOKJQYQO-UHFFFAOYSA-N 0 0 407.539 5.559 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1C ZINC000036032180 518796326 /nfs/dbraw/zinc/79/63/26/518796326.db2.gz NSWQSTJMINLGLR-UHFFFAOYSA-N 0 0 406.551 5.476 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036032182 518796556 /nfs/dbraw/zinc/79/65/56/518796556.db2.gz DSZWSRKXYXFDSQ-UHFFFAOYSA-N 0 0 422.550 5.176 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036032264 518795065 /nfs/dbraw/zinc/79/50/65/518795065.db2.gz CSHBYIBPUIYQDJ-UHFFFAOYSA-N 0 0 410.514 5.306 50 30 HKEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1 ZINC000036038132 518844629 /nfs/dbraw/zinc/84/46/29/518844629.db2.gz LMJBAFBJSQSOCM-IJGBZFIWSA-N 0 0 415.518 5.009 50 30 HKEARN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036051225 569357979 /nfs/dbraw/zinc/35/79/79/569357979.db2.gz FAODDNXUWZRRDC-HWUODZQRSA-N 0 0 402.732 8.326 50 30 HKEARN CC/N=C1/S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CC ZINC000036067344 520205988 /nfs/dbraw/zinc/20/59/88/520205988.db2.gz GWNJVLOOORZMIL-AHHCQKMLSA-N 0 0 409.001 5.865 50 30 HKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1O ZINC000036081889 520633597 /nfs/dbraw/zinc/63/35/97/520633597.db2.gz ACXUKMHZPUOYPO-WMOWQXFYSA-N 0 0 422.550 5.728 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000036093479 523607242 /nfs/dbraw/zinc/60/72/42/523607242.db2.gz AJDWCAPTDNGUFZ-STXSBSPXSA-N 0 0 415.562 5.701 50 30 HKEARN CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000036093488 520895366 /nfs/dbraw/zinc/89/53/66/520895366.db2.gz WHXYRHUKHGMFFF-WHEZCBNMSA-N 0 0 401.535 5.474 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O ZINC000036093497 521117435 /nfs/dbraw/zinc/11/74/35/521117435.db2.gz PWEBKOBRFDZTTM-MNWLEOAJSA-N 0 0 423.582 5.336 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(F)cc1 ZINC000036105134 518796147 /nfs/dbraw/zinc/79/61/47/518796147.db2.gz VPASDJMCBXWFAL-UHFFFAOYSA-N 0 0 424.541 5.813 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccs1 ZINC000036105140 518796861 /nfs/dbraw/zinc/79/68/61/518796861.db2.gz BWHRLDCSFLIHMU-UHFFFAOYSA-N 0 0 412.580 5.735 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(C)cc1 ZINC000036105146 518796450 /nfs/dbraw/zinc/79/64/50/518796450.db2.gz QAHFARWHPGYVJI-UHFFFAOYSA-N 0 0 420.578 5.982 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1F ZINC000036105150 518796601 /nfs/dbraw/zinc/79/66/01/518796601.db2.gz NANPTNTXAZOTPY-UHFFFAOYSA-N 0 0 424.541 5.813 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Cc1ccccc1 ZINC000036105152 518796069 /nfs/dbraw/zinc/79/60/69/518796069.db2.gz VKSFHNKAVGJORR-UHFFFAOYSA-N 0 0 420.578 5.603 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C ZINC000036105157 518796789 /nfs/dbraw/zinc/79/67/89/518796789.db2.gz DADTWLBUNDPABB-UHFFFAOYSA-N 0 0 420.578 5.982 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(C)c1 ZINC000036105162 518796530 /nfs/dbraw/zinc/79/65/30/518796530.db2.gz YBIJGOPCBNYDOY-UHFFFAOYSA-N 0 0 420.578 5.982 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036106134 518795254 /nfs/dbraw/zinc/79/52/54/518795254.db2.gz BUHLLUHHMFEEHP-UHFFFAOYSA-N 0 0 424.541 5.615 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccs1 ZINC000036106142 518794610 /nfs/dbraw/zinc/79/46/10/518794610.db2.gz BFNIYUHCAKSDKH-UHFFFAOYSA-N 0 0 412.580 5.537 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(C)cc1 ZINC000036106152 518794726 /nfs/dbraw/zinc/79/47/26/518794726.db2.gz FHBXNJDFMZWVFJ-UHFFFAOYSA-N 0 0 420.578 5.784 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036106156 518795241 /nfs/dbraw/zinc/79/52/41/518795241.db2.gz DALVCWKHWRFQKM-UHFFFAOYSA-N 0 0 424.541 5.615 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036106159 518795160 /nfs/dbraw/zinc/79/51/60/518795160.db2.gz NEEUJQQFROSUNY-UHFFFAOYSA-N 0 0 420.578 5.405 50 30 HKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccccc1C ZINC000036106165 518795130 /nfs/dbraw/zinc/79/51/30/518795130.db2.gz OQMNJAFNVXFDPU-UHFFFAOYSA-N 0 0 420.578 5.784 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(C)cc1 ZINC000036107091 518794805 /nfs/dbraw/zinc/79/48/05/518794805.db2.gz WTXDRVIROAONIK-UHFFFAOYSA-N 0 0 406.551 5.476 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036107095 518794940 /nfs/dbraw/zinc/79/49/40/518794940.db2.gz CCWKYPXNXKCCES-UHFFFAOYSA-N 0 0 410.514 5.306 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036107099 518795082 /nfs/dbraw/zinc/79/50/82/518795082.db2.gz PSQUIGUIFMRHMW-UHFFFAOYSA-N 0 0 406.551 5.096 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1C ZINC000036107105 518795149 /nfs/dbraw/zinc/79/51/49/518795149.db2.gz DHQYODBQYPOKGM-UHFFFAOYSA-N 0 0 406.551 5.476 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036107107 518795543 /nfs/dbraw/zinc/79/55/43/518795543.db2.gz POTSCEQZJLZDST-UHFFFAOYSA-N 0 0 422.550 5.176 50 30 HKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccc(C)c1 ZINC000036107111 518795437 /nfs/dbraw/zinc/79/54/37/518795437.db2.gz FYZCEFODXICEBC-UHFFFAOYSA-N 0 0 406.551 5.476 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(F)cc1 ZINC000036114327 518796855 /nfs/dbraw/zinc/79/68/55/518796855.db2.gz CTGQSABTSFCRIK-UHFFFAOYSA-N 0 0 410.514 5.306 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114336 518796132 /nfs/dbraw/zinc/79/61/32/518796132.db2.gz GTAAWFVATVETJS-UHFFFAOYSA-N 0 0 422.550 5.176 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(C)cc1 ZINC000036114345 518796523 /nfs/dbraw/zinc/79/65/23/518796523.db2.gz RTMPCAVWXUEMPI-UHFFFAOYSA-N 0 0 406.551 5.476 50 30 HKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036114354 518796348 /nfs/dbraw/zinc/79/63/48/518796348.db2.gz BABXYQWLTSSABN-UHFFFAOYSA-N 0 0 406.551 5.096 50 30 HKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)NC(C)(C)C ZINC000036115087 518796493 /nfs/dbraw/zinc/79/64/93/518796493.db2.gz LEYDCDVABNNGAJ-UHFFFAOYSA-N 0 0 401.576 5.342 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1 ZINC000036157150 518698981 /nfs/dbraw/zinc/69/89/81/518698981.db2.gz XKCGNIJXLGRWDC-UHFFFAOYSA-N 0 0 405.538 6.195 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccccc2F)o1 ZINC000036167879 518698202 /nfs/dbraw/zinc/69/82/02/518698202.db2.gz QVSAQTDUFRUYHR-UHFFFAOYSA-N 0 0 423.528 6.334 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccc(C)o2)o1 ZINC000036202457 518698685 /nfs/dbraw/zinc/69/86/85/518698685.db2.gz OOSMSOFGRHXCJN-UHFFFAOYSA-N 0 0 409.526 6.096 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)Cc2ccco2)o1 ZINC000036202716 518697609 /nfs/dbraw/zinc/69/76/09/518697609.db2.gz VJVUOYHOUWZLCH-UHFFFAOYSA-N 0 0 411.567 6.257 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)C[C@@H]2CCCO2)o1 ZINC000036202749 518698599 /nfs/dbraw/zinc/69/85/99/518698599.db2.gz DOQYWYSSOPUGLT-NRFANRHFSA-N 0 0 415.599 5.642 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccsc2)C[C@H]2CCCO2)o1 ZINC000036202752 518698209 /nfs/dbraw/zinc/69/82/09/518698209.db2.gz DOQYWYSSOPUGLT-OAQYLSRUSA-N 0 0 415.599 5.642 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2cccc(F)c2)o1 ZINC000036202979 518698369 /nfs/dbraw/zinc/69/83/69/518698369.db2.gz BTVXTOWLMMYPPL-UHFFFAOYSA-N 0 0 423.528 6.334 50 30 HKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2cccc(OC)c2)o1 ZINC000036203307 518587454 /nfs/dbraw/zinc/58/74/54/518587454.db2.gz PHZGRLXIVVRCSO-UHFFFAOYSA-N 0 0 407.510 5.423 50 30 HKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2cccc(C)c2)o1 ZINC000036203436 518698960 /nfs/dbraw/zinc/69/89/60/518698960.db2.gz ZUJLLRBQCMHKNA-UHFFFAOYSA-N 0 0 419.565 6.503 50 30 HKEARN C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1O ZINC000036245383 519133601 /nfs/dbraw/zinc/13/36/01/519133601.db2.gz JHCXWEPLXJISKK-JOCHJYFZSA-N 0 0 401.897 5.919 50 30 HKEARN C=CCc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1O ZINC000036245384 519134075 /nfs/dbraw/zinc/13/40/75/519134075.db2.gz JHCXWEPLXJISKK-QFIPXVFZSA-N 0 0 401.897 5.919 50 30 HKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000036245395 525770268 /nfs/dbraw/zinc/77/02/68/525770268.db2.gz LMUSQXHUEFHWAW-WMOWQXFYSA-N 0 0 400.503 5.499 50 30 HKEARN O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000036245396 526942853 /nfs/dbraw/zinc/94/28/53/526942853.db2.gz JEIJASCQJQMZKP-YVADOFBFSA-N 0 0 404.922 6.144 50 30 HKEARN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000036245397 524322763 /nfs/dbraw/zinc/32/27/63/524322763.db2.gz SNJYWSNTYATPIO-WMOWQXFYSA-N 0 0 400.503 5.499 50 30 HKEARN N#C[C@@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000036249997 526497098 /nfs/dbraw/zinc/49/70/98/526497098.db2.gz NFJDLFJJBCGKDP-GOTSBHOMSA-N 0 0 416.322 5.865 50 30 HKEARN CCN1c2ccccc2S/C1=C\C(=O)/C=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000036294099 521731032 /nfs/dbraw/zinc/73/10/32/521731032.db2.gz VJXMPGITMDJSNF-KWNHFAPVSA-N 0 0 402.563 5.897 50 30 HKEARN N#Cc1cccc(CSc2nc(Oc3ccccc3F)cc(-c3ccccc3)n2)c1 ZINC000036349475 569144622 /nfs/dbraw/zinc/14/46/22/569144622.db2.gz QOHBWRODQWQTQE-UHFFFAOYSA-N 0 0 413.477 6.239 50 30 HKEARN N#Cc1cccc(CSc2nc(Oc3cccc(F)c3)cc(-c3ccccc3)n2)c1 ZINC000036349476 569144687 /nfs/dbraw/zinc/14/46/87/569144687.db2.gz FSRFVSVSFDYTTG-UHFFFAOYSA-N 0 0 413.477 6.239 50 30 HKEARN Cc1ccccc1Oc1cc(-c2ccccc2)nc(SCc2cccc(C#N)c2)n1 ZINC000036349477 569144672 /nfs/dbraw/zinc/14/46/72/569144672.db2.gz KWHRKHFVUDKBFS-UHFFFAOYSA-N 0 0 409.514 6.408 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cccc1C ZINC000036349608 519993811 /nfs/dbraw/zinc/99/38/11/519993811.db2.gz PUZLNTXXVOFAIU-UHFFFAOYSA-N 0 0 416.694 8.686 50 30 HKEARN CC(C)c1cc(Oc2ccccc2C(C)C)nc(SCc2cccc(C#N)c2)n1 ZINC000036349800 569147167 /nfs/dbraw/zinc/14/71/67/569147167.db2.gz NHXSZKLWGHXZEF-UHFFFAOYSA-N 0 0 403.551 6.680 50 30 HKEARN CC(C)c1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)cc1 ZINC000036349803 569147171 /nfs/dbraw/zinc/14/71/71/569147171.db2.gz WNOVTPUVGRGSSS-UHFFFAOYSA-N 0 0 403.551 6.680 50 30 HKEARN COc1cc(C)ccc1Oc1cc(C(C)C)nc(SCc2cccc(C#N)c2)n1 ZINC000036349809 569147213 /nfs/dbraw/zinc/14/72/13/569147213.db2.gz PUNCHPAMSJHYIF-UHFFFAOYSA-N 0 0 405.523 5.873 50 30 HKEARN CC(C)c1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000036349814 569147229 /nfs/dbraw/zinc/14/72/29/569147229.db2.gz COLKIXFAAVRTQS-UHFFFAOYSA-N 0 0 403.551 6.680 50 30 HKEARN CC(=O)c1ccc(Oc2cc(C(C)C)nc(SCc3cccc(C#N)c3)n2)cc1 ZINC000036349826 569147177 /nfs/dbraw/zinc/14/71/77/569147177.db2.gz BSFSNCBJHNLLJR-UHFFFAOYSA-N 0 0 403.507 5.759 50 30 HKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000036351117 519045611 /nfs/dbraw/zinc/04/56/11/519045611.db2.gz LFVSLWUHJJBRPP-NOZRDPDXSA-N 0 0 400.453 5.633 50 30 HKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000036351120 519045849 /nfs/dbraw/zinc/04/58/49/519045849.db2.gz DOFJEHVXUDMMPE-RSXGOPAZSA-N 0 0 412.489 5.502 50 30 HKEARN Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CCCCC4)o3)cccc2c1=O ZINC000036358682 569150189 /nfs/dbraw/zinc/15/01/89/569150189.db2.gz ZMOXHMKHTDHGDR-UHFFFAOYSA-N 0 0 411.461 5.285 50 30 HKEARN Cc1c(=O)c2cccc(-c3nc(C#N)c(NCc4ccco4)o3)c2oc1-c1ccccc1 ZINC000036360545 569151813 /nfs/dbraw/zinc/15/18/13/569151813.db2.gz RXXIFUJGFUKSCM-UHFFFAOYSA-N 0 0 423.428 5.500 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](C#N)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000036371334 569358068 /nfs/dbraw/zinc/35/80/68/569358068.db2.gz DCHRLKUKWOETLV-RUPNZJAMSA-N 0 0 411.674 7.379 50 30 HKEARN C=C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000036371992 569358125 /nfs/dbraw/zinc/35/81/25/569358125.db2.gz LQJLWZKFQZZWGW-QFZGSHKPSA-N 0 0 402.575 5.449 50 30 HKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc(F)cc1 ZINC000036393642 527157521 /nfs/dbraw/zinc/15/75/21/527157521.db2.gz ZOFOINQBTAEQPT-OVCLIPMQSA-N 0 0 401.868 6.899 50 30 HKEARN C=CCN(C(=O)CCc1nc(-c2ccccc2)no1)c1nc(-c2ccccc2)cs1 ZINC000036394153 518732162 /nfs/dbraw/zinc/73/21/62/518732162.db2.gz CFIWVRUEEYOGDT-UHFFFAOYSA-N 0 0 416.506 5.012 50 30 HKEARN Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000036397673 569170947 /nfs/dbraw/zinc/17/09/47/569170947.db2.gz XRXZAYBOKCWRMO-UHFFFAOYSA-N 0 0 421.469 5.256 50 30 HKEARN C=CCN(C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccccc2)cs1 ZINC000036397976 518731654 /nfs/dbraw/zinc/73/16/54/518731654.db2.gz IWIXNMSRBIBLLV-UHFFFAOYSA-N 0 0 414.534 5.148 50 30 HKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 ZINC000036398089 525627491 /nfs/dbraw/zinc/62/74/91/525627491.db2.gz VENQSKQQPNPZST-FQEVSTJZSA-N 0 0 423.563 5.012 50 30 HKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 ZINC000036398090 525628037 /nfs/dbraw/zinc/62/80/37/525628037.db2.gz VENQSKQQPNPZST-HXUWFJFHSA-N 0 0 423.563 5.012 50 30 HKEARN C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc(-c2ccccc2)cs1 ZINC000036398320 518738673 /nfs/dbraw/zinc/73/86/73/518738673.db2.gz VYCIZXUZUPXEDK-UHFFFAOYSA-N 0 0 400.507 5.203 50 30 HKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000036522118 525228125 /nfs/dbraw/zinc/22/81/25/525228125.db2.gz QSQHAMSBLJELNE-OAQYLSRUSA-N 0 0 409.526 5.517 50 30 HKEARN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000036522639 520923790 /nfs/dbraw/zinc/92/37/90/520923790.db2.gz VNIKSDPLWLNDCR-QHCPKHFHSA-N 0 0 420.597 6.346 50 30 HKEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000036559056 569199457 /nfs/dbraw/zinc/19/94/57/569199457.db2.gz UOSPEQCBLBSMIP-UHFFFAOYSA-N 0 0 421.525 6.077 50 30 HKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2Cl)o1 ZINC000036611341 521794185 /nfs/dbraw/zinc/79/41/85/521794185.db2.gz IPPBIKMEJDWXAS-ZVBGSRNCSA-N 0 0 412.849 5.035 50 30 HKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 ZINC000036611354 521794926 /nfs/dbraw/zinc/79/49/26/521794926.db2.gz AFAFRWKZHBMFOZ-ZVBGSRNCSA-N 0 0 412.849 5.035 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611356 521795207 /nfs/dbraw/zinc/79/52/07/521795207.db2.gz BORMCTAEYCVQBB-AWQFTUOYSA-N 0 0 411.314 5.060 50 30 HKEARN CSc1nncn1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000036611365 526229277 /nfs/dbraw/zinc/22/92/77/526229277.db2.gz ZDUSKQMDIULRRO-CGOBSMCZSA-N 0 0 417.705 5.014 50 30 HKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2C)o1 ZINC000036611373 521791883 /nfs/dbraw/zinc/79/18/83/521791883.db2.gz AUPDDRCYJJJTMK-LPYMAVHISA-N 0 0 408.483 5.013 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000036611388 521795290 /nfs/dbraw/zinc/79/52/90/521795290.db2.gz WIBUYHNMTHBLKB-AWQFTUOYSA-N 0 0 411.314 5.060 50 30 HKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611410 521794726 /nfs/dbraw/zinc/79/47/26/521794726.db2.gz MIOHJOWFJSHHLX-ZVBGSRNCSA-N 0 0 412.849 5.035 50 30 HKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000036611501 521793707 /nfs/dbraw/zinc/79/37/07/521793707.db2.gz NTLHMZUGNYFJNG-AWQFTUOYSA-N 0 0 411.314 5.060 50 30 HKEARN COc1ccccc1C(=O)N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000036612721 569209083 /nfs/dbraw/zinc/20/90/83/569209083.db2.gz ATLGKCBVTFXXRP-UHFFFAOYSA-N 0 0 419.484 5.572 50 30 HKEARN C=CCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000036612876 518963745 /nfs/dbraw/zinc/96/37/45/518963745.db2.gz USQNPHPSHDCCOE-UHFFFAOYSA-N 0 0 404.467 5.160 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000036614427 523307585 /nfs/dbraw/zinc/30/75/85/523307585.db2.gz IATLNWYXDOFXTO-JPOUBHQHSA-N 0 0 404.554 5.339 50 30 HKEARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccc(CC#N)cc1 ZINC000036615800 523670213 /nfs/dbraw/zinc/67/02/13/523670213.db2.gz UEIINKIKEWUKCU-UHFFFAOYSA-N 0 0 409.493 5.053 50 30 HKEARN CCCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O ZINC000036619597 521672045 /nfs/dbraw/zinc/67/20/45/521672045.db2.gz JCOSBAWMYWWBFV-WQJCZGEMSA-N 0 0 404.554 5.420 50 30 HKEARN CCCCOc1ccc(C(=O)O/N=C(/c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000036644272 520871699 /nfs/dbraw/zinc/87/16/99/520871699.db2.gz IGSBFQCVYYXXOA-IMVLJIQESA-N 0 0 413.473 6.221 50 30 HKEARN C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1nc(-c2ccccc2)cs1 ZINC000036824321 518737032 /nfs/dbraw/zinc/73/70/32/518737032.db2.gz PVMXQCGKDAIEMM-UHFFFAOYSA-N 0 0 405.910 5.845 50 30 HKEARN COc1ccc(Oc2cc(C(C)(C)C)nc(SCc3ccccc3C#N)n2)cc1 ZINC000037509705 569302301 /nfs/dbraw/zinc/30/23/01/569302301.db2.gz IJXFGYXHZSTQIB-UHFFFAOYSA-N 0 0 405.523 5.739 50 30 HKEARN CC(C)(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2ccccc2C#N)n1 ZINC000037509887 569302413 /nfs/dbraw/zinc/30/24/13/569302413.db2.gz FPLMOLYKPHAXLV-UHFFFAOYSA-N 0 0 411.477 6.009 50 30 HKEARN COc1ccccc1Oc1cc(C(C)(C)C)nc(SCc2ccccc2C#N)n1 ZINC000037509889 569302417 /nfs/dbraw/zinc/30/24/17/569302417.db2.gz YNBCPDNTWVLAEZ-UHFFFAOYSA-N 0 0 405.523 5.739 50 30 HKEARN CC(C)(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2C#N)n1 ZINC000037509891 569302431 /nfs/dbraw/zinc/30/24/31/569302431.db2.gz QNCWOWFFLUFNPR-UHFFFAOYSA-N 0 0 419.506 5.459 50 30 HKEARN Cc1cccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000037510099 569302423 /nfs/dbraw/zinc/30/24/23/569302423.db2.gz ZWCQNWQFUUMKKW-UHFFFAOYSA-N 0 0 401.413 5.760 50 30 HKEARN N#Cc1cccc(CSc2nc(Oc3cccc(Cl)c3)cc(C(F)(F)F)n2)c1 ZINC000037510101 569302398 /nfs/dbraw/zinc/30/23/98/569302398.db2.gz ULCOIAZICLJUMH-UHFFFAOYSA-N 0 0 421.831 6.105 50 30 HKEARN N#Cc1cccc(CSc2nc(Oc3ccccc3Cl)cc(C(F)(F)F)n2)c1 ZINC000037510870 569302536 /nfs/dbraw/zinc/30/25/36/569302536.db2.gz PAOHPCUILYNDEO-UHFFFAOYSA-N 0 0 421.831 6.105 50 30 HKEARN COc1cccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C#N)c3)n2)c1 ZINC000037510871 569302535 /nfs/dbraw/zinc/30/25/35/569302535.db2.gz DEAMOLIQZQAXFV-UHFFFAOYSA-N 0 0 417.412 5.460 50 30 HKEARN COc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C#N)c3)n2)cc1 ZINC000037510872 569302476 /nfs/dbraw/zinc/30/24/76/569302476.db2.gz SFXKKZOKJOZQAR-UHFFFAOYSA-N 0 0 417.412 5.460 50 30 HKEARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C#N)c3)n2)cc1 ZINC000037510873 569302542 /nfs/dbraw/zinc/30/25/42/569302542.db2.gz MPVSZTBELCWGMY-UHFFFAOYSA-N 0 0 401.413 5.760 50 30 HKEARN Cc1ccccc1Oc1cc(C(F)(F)F)nc(SCc2cccc(C#N)c2)n1 ZINC000037511171 569302497 /nfs/dbraw/zinc/30/24/97/569302497.db2.gz ZVQGCYSYPMYPFR-UHFFFAOYSA-N 0 0 401.413 5.760 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2ccc(F)cc2)cc2sc(Br)cc21 ZINC000037542300 518638161 /nfs/dbraw/zinc/63/81/61/518638161.db2.gz MMMXLTSYTYUIQP-UHFFFAOYSA-N 0 0 407.308 5.111 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2cccc(C)c2)cc2sc(Br)cc21 ZINC000037542306 518639036 /nfs/dbraw/zinc/63/90/36/518639036.db2.gz OHIVNRLTNBXOCC-UHFFFAOYSA-N 0 0 403.345 5.280 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2cccc(C)c2)cc2scc(Br)c21 ZINC000037542342 518638546 /nfs/dbraw/zinc/63/85/46/518638546.db2.gz JMDLJHHRWZKAHI-UHFFFAOYSA-N 0 0 403.345 5.280 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2ccccc2F)cc2sc(Br)cc21 ZINC000037542844 518639300 /nfs/dbraw/zinc/63/93/00/518639300.db2.gz NDJVUBXBTQXDPU-UHFFFAOYSA-N 0 0 407.308 5.111 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2ccccc2F)cc2scc(Br)c21 ZINC000037542875 518639415 /nfs/dbraw/zinc/63/94/15/518639415.db2.gz QSOPGZGBDVPXLI-UHFFFAOYSA-N 0 0 407.308 5.111 50 30 HKEARN C=C(C)Cn1c(C(=O)N[C@@H](C)c2ccccc2)cc2scc(Br)c21 ZINC000037543320 518639279 /nfs/dbraw/zinc/63/92/79/518639279.db2.gz PVLVACJEUSBOJP-ZDUSSCGKSA-N 0 0 403.345 5.532 50 30 HKEARN C=C(C)Cn1c(C(=O)N[C@H](C)c2ccccc2)cc2scc(Br)c21 ZINC000037543322 518639545 /nfs/dbraw/zinc/63/95/45/518639545.db2.gz PVLVACJEUSBOJP-CYBMUJFWSA-N 0 0 403.345 5.532 50 30 HKEARN C=C(C)Cn1c(C(=O)N2CCc3ccccc3C2)cc2scc(Br)c21 ZINC000037543332 518639167 /nfs/dbraw/zinc/63/91/67/518639167.db2.gz HRLTZXQYIFZVMI-UHFFFAOYSA-N 0 0 415.356 5.240 50 30 HKEARN C=CCNC(=O)c1cc2scc(Br)c2n1Cc1cccc(Cl)c1 ZINC000037544319 518934472 /nfs/dbraw/zinc/93/44/72/518934472.db2.gz UPHKDYLFYYMQPN-UHFFFAOYSA-N 0 0 409.736 5.083 50 30 HKEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037556608 518901333 /nfs/dbraw/zinc/90/13/33/518901333.db2.gz FIGFNIPRGJFGQK-SAPNQHFASA-N 0 0 424.544 5.086 50 30 HKEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000037557001 518902004 /nfs/dbraw/zinc/90/20/04/518902004.db2.gz AALIQXOFCOZIQM-UHFFFAOYSA-N 0 0 418.924 5.032 50 30 HKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccccc2)cc1 ZINC000037557878 518903188 /nfs/dbraw/zinc/90/31/88/518903188.db2.gz KOXWEUDKBHARCR-UHFFFAOYSA-N 0 0 413.521 5.078 50 30 HKEARN C=C(C)Cn1c(C(=O)NCc2cccc(F)c2)cc2scc(Br)c21 ZINC000037587510 518639265 /nfs/dbraw/zinc/63/92/65/518639265.db2.gz CGVNPXYVYJPURL-UHFFFAOYSA-N 0 0 407.308 5.111 50 30 HKEARN C=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037600751 518900919 /nfs/dbraw/zinc/90/09/19/518900919.db2.gz LWORYONTCPZMSN-WUKNDPDISA-N 0 0 424.544 5.086 50 30 HKEARN C=CCNC(=O)c1csc(-c2ccccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000037614009 518947097 /nfs/dbraw/zinc/94/70/97/518947097.db2.gz OVTBXQSHOSYFPZ-UHFFFAOYSA-N 0 0 419.333 5.612 50 30 HKEARN Clc1cccc(Cl)c1CO/N=C/c1c(-c2ccccc2)nc2n1CCS2 ZINC000037868877 568561160 /nfs/dbraw/zinc/56/11/60/568561160.db2.gz CWJORMLVBATDTA-SSDVNMTOSA-N 0 0 404.322 5.513 50 30 HKEARN CCCCCCCCCCOc1cc2c(cc1OCC)ncc(C(=O)OCC)c2O ZINC000038139853 558811029 /nfs/dbraw/zinc/81/10/29/558811029.db2.gz JHAYEQICABJSTP-UHFFFAOYSA-N 0 0 417.546 5.623 50 30 in-man HKEARN C=CCN1C(=O)/C(=C/c2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)SC1=S ZINC000038165590 518824842 /nfs/dbraw/zinc/82/48/42/518824842.db2.gz LJENJXXPIDCTIT-UYRXBGFRSA-N 0 0 404.560 5.839 50 30 HKEARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000038206453 568979190 /nfs/dbraw/zinc/97/91/90/568979190.db2.gz AVJGWMYCJIGANR-BZPDREMPSA-N 0 0 420.622 6.720 50 30 HKEARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000038206454 568979106 /nfs/dbraw/zinc/97/91/06/568979106.db2.gz AVJGWMYCJIGANR-SZJVNEJHSA-N 0 0 420.622 6.720 50 30 HKEARN COc1ccc(C)cc1[C@@H](CCOS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000038319609 523854458 /nfs/dbraw/zinc/85/44/58/523854458.db2.gz XFMJXASCGLTHSN-QFIPXVFZSA-N 0 0 410.535 5.240 50 30 HKEARN COc1ccc(C)cc1[C@H](CCOS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000038319610 523860480 /nfs/dbraw/zinc/86/04/80/523860480.db2.gz XFMJXASCGLTHSN-JOCHJYFZSA-N 0 0 410.535 5.240 50 30 HKEARN CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)c1 ZINC000038653258 571052489 /nfs/dbraw/zinc/05/24/89/571052489.db2.gz OFPXFRBDXAVQMP-UHFFFAOYSA-N 0 0 416.500 5.224 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 ZINC000038653292 571052519 /nfs/dbraw/zinc/05/25/19/571052519.db2.gz IKKYJVBBNUFCQZ-UHFFFAOYSA-N 0 0 412.537 5.393 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)(C)O ZINC000038791498 569362628 /nfs/dbraw/zinc/36/26/28/569362628.db2.gz KJKIIUAXZGLUND-QVKZFZTCSA-N 0 0 412.658 6.756 50 30 HKEARN O=C1N(c2ccccc2)/C(=N/c2ccccc2)SC1(c1ccccc1)c1ccccc1 ZINC000038991204 571317532 /nfs/dbraw/zinc/31/75/32/571317532.db2.gz QXZMDSRZYZNPGP-SGEDCAFJSA-N 0 0 420.537 6.398 50 30 HKEARN Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@@H]2c2ccc(C)cc2)s1 ZINC000039365166 568596004 /nfs/dbraw/zinc/59/60/04/568596004.db2.gz BOQCHHZXLDJJBX-GOSISDBHSA-N 0 0 408.556 5.336 50 30 HKEARN CC1CCN(CN2c3ccccc3/C(=N/c3ccc(F)c(C(F)(F)F)c3)C2=O)CC1 ZINC000039379184 521016874 /nfs/dbraw/zinc/01/68/74/521016874.db2.gz ZJZFUQGEAZCRHC-OOAXWGSJSA-N 0 0 419.422 5.001 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCC1 ZINC000039383561 571131703 /nfs/dbraw/zinc/13/17/03/571131703.db2.gz UQXMDRUKLOJEMF-UHFFFAOYSA-N 0 0 413.546 5.438 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000039404124 571308203 /nfs/dbraw/zinc/30/82/03/571308203.db2.gz URAMBQYVTBQFST-UGXHBQBLSA-N 0 0 402.439 5.762 50 30 HKEARN N#Cc1c(=O)n(-c2ccccc2)c2c(c1-c1ccccc1)CC/C2=C\c1ccccc1 ZINC000039931376 571134958 /nfs/dbraw/zinc/13/49/58/571134958.db2.gz YAADHVLEBICFQD-RELWKKBWSA-N 0 0 400.481 5.863 50 30 HKEARN CC(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccc(C)cc1 ZINC000039940601 519754244 /nfs/dbraw/zinc/75/42/44/519754244.db2.gz FRQRJDQIBNFVLX-LSHDLFTRSA-N 0 0 402.882 5.315 50 30 HKEARN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000039940602 519753983 /nfs/dbraw/zinc/75/39/83/519753983.db2.gz RPRKKRXTXMCCKB-UFFVCSGVSA-N 0 0 405.310 5.521 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000039942057 569358267 /nfs/dbraw/zinc/35/82/67/569358267.db2.gz PRYIJAGAEJZDBO-HBLDXHCRSA-N 0 0 402.663 6.600 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000039942058 569358186 /nfs/dbraw/zinc/35/81/86/569358186.db2.gz PRYIJAGAEJZDBO-XDOIUYBPSA-N 0 0 402.663 6.600 50 30 HKEARN CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3c(C)cccc3C)n2)cc1 ZINC000040005006 523876473 /nfs/dbraw/zinc/87/64/73/523876473.db2.gz RWONPIUTVOCCMA-BUHFOSPRSA-N 0 0 404.535 5.903 50 30 HKEARN C=CCn1c(Sc2ncnc3sc4c(c32)CC[C@@H](C)C4)nnc1-c1ccoc1C ZINC000040023351 571139494 /nfs/dbraw/zinc/13/94/94/571139494.db2.gz AJLROLHVONPKHD-GFCCVEGCSA-N 0 0 423.567 5.313 50 30 HKEARN C=CCn1c(Sc2ncnc3sc4c(c32)CC[C@H](C)C4)nnc1-c1ccoc1C ZINC000040023352 571139445 /nfs/dbraw/zinc/13/94/45/571139445.db2.gz AJLROLHVONPKHD-LBPRGKRZSA-N 0 0 423.567 5.313 50 30 HKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000040051147 526276738 /nfs/dbraw/zinc/27/67/38/526276738.db2.gz RPRZIMUDMJSOGG-UHFFFAOYSA-N 0 0 402.498 5.086 50 30 HKEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)c(C(F)(F)F)c1 ZINC000040110786 571169038 /nfs/dbraw/zinc/16/90/38/571169038.db2.gz HEVRGTQFOZZDMQ-UHFFFAOYSA-N 0 0 421.831 5.530 50 30 HKEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3F)s2)c(C(F)(F)F)c1 ZINC000040110790 571168980 /nfs/dbraw/zinc/16/89/80/571168980.db2.gz KIXVTIWCNRINAQ-UHFFFAOYSA-N 0 0 405.376 5.016 50 30 HKEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3F)s2)c(C(F)(F)F)c1 ZINC000040110796 571168957 /nfs/dbraw/zinc/16/89/57/571168957.db2.gz ULQGZNADADRREH-UHFFFAOYSA-N 0 0 423.366 5.155 50 30 HKEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)o3)s2)c(C(F)(F)F)c1 ZINC000040110808 571169035 /nfs/dbraw/zinc/16/90/35/571169035.db2.gz MEESFSLTZHTTJC-UHFFFAOYSA-N 0 0 411.792 5.123 50 30 HKEARN COc1cc(CN(C(=O)Nc2ccc(Cl)c(C#N)c2)C2CC2)ccc1OC(F)F ZINC000040120214 571176430 /nfs/dbraw/zinc/17/64/30/571176430.db2.gz ADTCVJDUSIBPFK-UHFFFAOYSA-N 0 0 421.831 5.018 50 30 HKEARN N#Cc1ccc(CSCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000040120817 571176922 /nfs/dbraw/zinc/17/69/22/571176922.db2.gz AHQSIEFJKKTMRR-NRFANRHFSA-N 0 0 410.589 5.089 50 30 HKEARN N#Cc1ccc(CSCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000040120818 571176947 /nfs/dbraw/zinc/17/69/47/571176947.db2.gz AHQSIEFJKKTMRR-OAQYLSRUSA-N 0 0 410.589 5.089 50 30 HKEARN CN(c1ccccc1)c1ccccc1NCC(=O)Nc1ccccc1SCC#N ZINC000040122937 523654271 /nfs/dbraw/zinc/65/42/71/523654271.db2.gz POOYVHRBQSYUQC-UHFFFAOYSA-N 0 0 402.523 5.121 50 30 HKEARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)CSCc3ccc(C#N)cc3)n2c1 ZINC000040130988 571183094 /nfs/dbraw/zinc/18/30/94/571183094.db2.gz HHAVURGRTULTNF-UHFFFAOYSA-N 0 0 412.518 5.053 50 30 HKEARN C=CCSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000040131230 519079360 /nfs/dbraw/zinc/07/93/60/519079360.db2.gz NTMMTRKXZVIQPR-UHFFFAOYSA-N 0 0 423.559 5.191 50 30 HKEARN C=CCOc1ccc(/C=C/c2cc(C(=O)OCC)nc(-c3ccccc3)n2)cc1OC ZINC000040146045 519014000 /nfs/dbraw/zinc/01/40/00/519014000.db2.gz QWWJTXKZBGLVFF-ACCUITESSA-N 0 0 416.477 5.064 50 30 HKEARN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCOc2ccccc2)cc1 ZINC000040146406 571196164 /nfs/dbraw/zinc/19/61/64/571196164.db2.gz UFIMBNFUNFSIFM-UHFFFAOYSA-N 0 0 402.469 5.085 50 30 HKEARN CSCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 ZINC000040146408 571196237 /nfs/dbraw/zinc/19/62/37/571196237.db2.gz HYVUYAHGKTXBGM-UHFFFAOYSA-N 0 0 404.510 5.403 50 30 HKEARN C=CCn1c(SC/C(=C/C(=O)C(C)(C)C)C(C)(C)C)nnc1-c1ccoc1C ZINC000040152424 519197938 /nfs/dbraw/zinc/19/79/38/519197938.db2.gz TWAQGIVVKRFQFC-SSZFMOIBSA-N 0 0 401.576 5.712 50 30 HKEARN CCc1cccc(CC)c1NC(=O)C[C@](C#N)(C(C)=O)c1c(Cl)cccc1Cl ZINC000040155622 524068065 /nfs/dbraw/zinc/06/80/65/524068065.db2.gz JBCAGASZSLUUCS-QFIPXVFZSA-N 0 0 417.336 5.497 50 30 HKEARN CCc1cccc(CC)c1NC(=O)C[C@@](C#N)(C(C)=O)c1c(Cl)cccc1Cl ZINC000040155623 524068109 /nfs/dbraw/zinc/06/81/09/524068109.db2.gz JBCAGASZSLUUCS-JOCHJYFZSA-N 0 0 417.336 5.497 50 30 HKEARN C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@@H]1CCc2ccccc21 ZINC000040158352 518262624 /nfs/dbraw/zinc/26/26/24/518262624.db2.gz LZZBFQDIVOXQJT-XMMPIXPASA-N 0 0 415.562 5.259 50 30 HKEARN C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@H]1CCc2ccccc21 ZINC000040158353 518262548 /nfs/dbraw/zinc/26/25/48/518262548.db2.gz LZZBFQDIVOXQJT-DEOSSOPVSA-N 0 0 415.562 5.259 50 30 HKEARN C=CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000040160245 519010316 /nfs/dbraw/zinc/01/03/16/519010316.db2.gz ZKQMTHRDLPUSPG-MIWMXLOXSA-N 0 0 423.516 5.241 50 30 HKEARN C=CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000040160246 519013275 /nfs/dbraw/zinc/01/32/75/519013275.db2.gz ZKQMTHRDLPUSPG-YGMDYZATSA-N 0 0 423.516 5.241 50 30 HKEARN Cc1cc(C)c(C#N)c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000040217222 524218505 /nfs/dbraw/zinc/21/85/05/524218505.db2.gz NGSIGZSKFDFYHN-UHFFFAOYSA-N 0 0 417.921 5.883 50 30 HKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F ZINC000040389870 518800978 /nfs/dbraw/zinc/80/09/78/518800978.db2.gz HERGDRKCXQGNFS-UHFFFAOYSA-N 0 0 418.299 5.206 50 30 HKEARN CCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000040486466 521782767 /nfs/dbraw/zinc/78/27/67/521782767.db2.gz MQFHQMGCCZMWEJ-UHFFFAOYSA-N 0 0 407.926 5.946 50 30 HKEARN CCCC[NH+](CCCC)Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000040544765 520495700 /nfs/dbraw/zinc/49/57/00/520495700.db2.gz PTXXYIJFSNOHPS-BUVRLJJBSA-N 0 0 417.937 6.107 50 30 HKEARN Cc1c2c(cc3c1OCN(C1CC1)C3)C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000041588684 525932857 /nfs/dbraw/zinc/93/28/57/525932857.db2.gz XMDVBONPXLLHKA-CFRMEGHHSA-N 0 0 409.485 5.593 50 30 HKEARN C=CCCCCCCCOC(=O)C12CC(C(=O)OCCCCCCCC=C)(C1)C2 ZINC000043198574 569012869 /nfs/dbraw/zinc/01/28/69/569012869.db2.gz ASNPUYFFSKOFRW-UHFFFAOYSA-N 0 0 404.591 6.296 50 30 HKEARN CCCCCCCCCCCCCCCCN(C)c1ccc(S(C)(=O)=O)cc1N ZINC000043242405 519999747 /nfs/dbraw/zinc/99/97/47/519999747.db2.gz MQPMBFVDKKMVIS-UHFFFAOYSA-N 0 0 424.695 6.590 50 30 HKEARN CCCCCCCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S ZINC000043491228 558644569 /nfs/dbraw/zinc/64/45/69/558644569.db2.gz ACGQTBAFQLDLFS-UHFFFAOYSA-N 0 0 408.611 5.788 50 30 in-vitro HKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccc(F)cc2)C1(C#N)C#N ZINC000043701752 526144854 /nfs/dbraw/zinc/14/48/54/526144854.db2.gz OQDJRLNLVPDQLH-ZRBLBEILSA-N 0 0 413.496 5.151 50 30 HKEARN CC(N=Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(Cl)c(Cl)c1 ZINC000043761244 571304394 /nfs/dbraw/zinc/30/43/94/571304394.db2.gz SVIJVWNLNZRBAU-WYMPLXKRSA-N 0 0 402.350 6.442 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Br ZINC000043761278 518467571 /nfs/dbraw/zinc/46/75/71/518467571.db2.gz SUCQHTHREYONAC-SRZZPIQSSA-N 0 0 406.736 6.062 50 30 HKEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1Br ZINC000043761279 518467663 /nfs/dbraw/zinc/46/76/63/518467663.db2.gz GNJYSWACXYXKAP-RGVLZGJSSA-N 0 0 417.288 5.317 50 30 HKEARN Cc1cc(C)c(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C)c1 ZINC000043761281 518467161 /nfs/dbraw/zinc/46/71/61/518467161.db2.gz MBCZGIQLDALHHV-ZVHZXABRSA-N 0 0 404.366 6.878 50 30 HKEARN COc1ccc(OC)c(-c2csc(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000043761308 524792816 /nfs/dbraw/zinc/79/28/16/524792816.db2.gz YGVGXHQIPYQYQQ-FOKLQQMPSA-N 0 0 422.337 5.970 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc2ccccc21 ZINC000043761312 518467673 /nfs/dbraw/zinc/46/76/73/518467673.db2.gz UDMSWRZWAJJLBR-DHRITJCHSA-N 0 0 412.345 7.106 50 30 HKEARN COc1ccc(OC)c(-c2csc(N=NC(C)c3cccc4ccccc43)n2)c1 ZINC000043761313 524793101 /nfs/dbraw/zinc/79/31/01/524793101.db2.gz JWYOMAXFOGFCTG-MFKUBSTISA-N 0 0 403.507 5.817 50 30 HKEARN C[C@@H](CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000043761709 526235493 /nfs/dbraw/zinc/23/54/93/526235493.db2.gz RYNKNZJQZHCFRG-PFRBSUFTSA-N 0 0 404.426 5.369 50 30 HKEARN C[C@H](CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000043761710 525918860 /nfs/dbraw/zinc/91/88/60/525918860.db2.gz RYNKNZJQZHCFRG-LGVXEURYSA-N 0 0 404.426 5.369 50 30 HKEARN CC[C@H]1/C(=N/NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@H]1C ZINC000043762273 569012939 /nfs/dbraw/zinc/01/29/39/569012939.db2.gz BOSGGEKSWSZHCI-XZBHJBHXSA-N 0 0 406.636 6.147 50 30 HKEARN CC[C@@H]1/C(=N/NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@H]1C ZINC000043762274 569012971 /nfs/dbraw/zinc/01/29/71/569012971.db2.gz BOSGGEKSWSZHCI-QVTOUVPASA-N 0 0 406.636 6.147 50 30 HKEARN CC[C@H]1/C(=N/NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@@H]1C ZINC000043762275 569012951 /nfs/dbraw/zinc/01/29/51/569012951.db2.gz BOSGGEKSWSZHCI-OBQPKHBVSA-N 0 0 406.636 6.147 50 30 HKEARN CC[C@@H]1/C(=N/NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@@H]1C ZINC000043762276 569012948 /nfs/dbraw/zinc/01/29/48/569012948.db2.gz BOSGGEKSWSZHCI-OTEBAESWSA-N 0 0 406.636 6.147 50 30 HKEARN C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C(=O)CC ZINC000043762407 569012957 /nfs/dbraw/zinc/01/29/57/569012957.db2.gz CORFUANGMXFXPM-OJWCNPDFSA-N 0 0 408.673 6.266 50 30 HKEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C(=O)CC ZINC000043762408 569012956 /nfs/dbraw/zinc/01/29/56/569012956.db2.gz CORFUANGMXFXPM-JCXROGDPSA-N 0 0 408.673 6.266 50 30 HKEARN C=C[C@](C)(C[C@@H](OC)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C(=O)CC ZINC000043762409 569012927 /nfs/dbraw/zinc/01/29/27/569012927.db2.gz CORFUANGMXFXPM-MQYXYMALSA-N 0 0 408.673 6.266 50 30 HKEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C(=O)CC ZINC000043762410 569012938 /nfs/dbraw/zinc/01/29/38/569012938.db2.gz CORFUANGMXFXPM-ZHODDXKCSA-N 0 0 408.673 6.266 50 30 HKEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\CCC[C@@H]2C(C)C)c(C(C)C)c1 ZINC000043763004 569012968 /nfs/dbraw/zinc/01/29/68/569012968.db2.gz HPBDLDWEMKASCP-RSTPCFTMSA-N 0 0 406.636 6.147 50 30 HKEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\CCC[C@H]2C(C)C)c(C(C)C)c1 ZINC000043763005 569012958 /nfs/dbraw/zinc/01/29/58/569012958.db2.gz HPBDLDWEMKASCP-DRGFOCDESA-N 0 0 406.636 6.147 50 30 HKEARN C=C[C@@H](C)C[C@@H](C)[C@@H](O)[C@H](COCc1ccc(OC)cc1)C1SCCCS1 ZINC000043763343 569012970 /nfs/dbraw/zinc/01/29/70/569012970.db2.gz ASKZPDNNFIFJDF-SGLNWRHMSA-N 0 0 410.645 5.233 50 30 HKEARN C=C[C@@H](C)C[C@@H](C)[C@@H](OCc1ccc(OC)cc1)[C@H](CO)C1SCCCS1 ZINC000043763350 569012930 /nfs/dbraw/zinc/01/29/30/569012930.db2.gz NAHXNXMLPFWROL-SGLNWRHMSA-N 0 0 410.645 5.233 50 30 HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000043765392 569048180 /nfs/dbraw/zinc/04/81/80/569048180.db2.gz NHRVXFXRRONMJZ-GVAUOCQISA-N 0 0 419.459 5.110 50 30 HKEARN N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000043769651 559049809 /nfs/dbraw/zinc/04/98/09/559049809.db2.gz PPBABPDVOHWTOJ-USZFVNFHSA-N 0 0 401.469 5.096 50 30 HKEARN Nc1cc(Cl)c(Cl)cc1NC=CC(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000043790768 527450409 /nfs/dbraw/zinc/45/04/09/527450409.db2.gz XVASVSLBXXUMLM-WAYWQWQTSA-N 0 0 424.740 6.161 50 30 HKEARN N#Cc1cccc(COc2cccc(C=C(Cl)c3nc4ccccc4c(=O)[nH]3)c2)c1 ZINC000044024181 526710487 /nfs/dbraw/zinc/71/04/87/526710487.db2.gz HYLGRWNWQVBEII-BKUYFWCQSA-N 0 0 413.864 5.523 50 30 HKEARN CCn1c2ccccc2c2cc(/C=N/N(Cc3ccccc3)c3ccccc3)ccc21 ZINC000044075929 523274755 /nfs/dbraw/zinc/27/47/55/523274755.db2.gz RPHJRJPXKZMFFQ-ZTKZIYFRSA-N 0 0 403.529 6.855 50 30 HKEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085693 519151111 /nfs/dbraw/zinc/15/11/11/519151111.db2.gz KGXPREJFXNDBPR-UHFFFAOYSA-N 0 0 413.930 5.129 50 30 HKEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085695 519150539 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N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087809 526480779 /nfs/dbraw/zinc/48/07/79/526480779.db2.gz INOHRFFGHAMKRQ-UHFFFAOYSA-N 0 0 404.373 5.082 50 30 HKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087811 519083914 /nfs/dbraw/zinc/08/39/14/519083914.db2.gz NJDZFFZTGLXNJW-UHFFFAOYSA-N 0 0 405.401 5.744 50 30 HKEARN COc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000044087943 523148934 /nfs/dbraw/zinc/14/89/34/523148934.db2.gz ZBEMWKCXCFXZCJ-UHFFFAOYSA-N 0 0 405.401 5.062 50 30 HKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087945 519083029 /nfs/dbraw/zinc/08/30/29/519083029.db2.gz GQAKYJDFXYXNOH-UHFFFAOYSA-N 0 0 406.429 5.725 50 30 HKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088029 519083751 /nfs/dbraw/zinc/08/37/51/519083751.db2.gz RXKVVJFSPGPUAR-UHFFFAOYSA-N 0 0 421.400 5.624 50 30 HKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088203 519083956 /nfs/dbraw/zinc/08/39/56/519083956.db2.gz ADZPBJGMKKXGQR-UHFFFAOYSA-N 0 0 403.410 5.327 50 30 HKEARN C=CCSc1ccccc1CN(C)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125196 519078020 /nfs/dbraw/zinc/07/80/20/519078020.db2.gz OIFCVGBOGRZTGP-XMMPIXPASA-N 0 0 400.547 5.490 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1 ZINC000044167562 526257104 /nfs/dbraw/zinc/25/71/04/526257104.db2.gz FDZNECQFRXKGHE-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2c1 ZINC000044167773 524060788 /nfs/dbraw/zinc/06/07/88/524060788.db2.gz ICXZFUZDCVWZHQ-UHFFFAOYSA-N 0 0 412.537 5.141 50 30 HKEARN CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1 ZINC000044459907 520031352 /nfs/dbraw/zinc/03/13/52/520031352.db2.gz VHJFWJXYEWHCGD-UHFFFAOYSA-N 0 0 408.674 8.730 50 30 HKEARN CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O)cc1 ZINC000044699672 519347304 /nfs/dbraw/zinc/34/73/04/519347304.db2.gz NZVOGZATHCUFRC-KFJFTADJSA-N 0 0 405.538 6.041 50 30 in-vitro HKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)cc1 ZINC000044842969 560897618 /nfs/dbraw/zinc/89/76/18/560897618.db2.gz RPRSQCPFENEPFK-ISLYRVAYSA-N 0 0 401.506 6.253 50 30 HKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000044843080 560897631 /nfs/dbraw/zinc/89/76/31/560897631.db2.gz DNTCZFYRWDGDFO-CCEZHUSRSA-N 0 0 404.466 5.519 50 30 HKEARN CCCCOc1ccc(C(=O)C=CNc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000044843091 560897715 /nfs/dbraw/zinc/89/77/15/560897715.db2.gz XQVZFAGDHGBERM-WUKNDPDISA-N 0 0 412.533 6.802 50 30 HKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(I)cc2)cc1 ZINC000044843155 560897747 /nfs/dbraw/zinc/89/77/47/560897747.db2.gz IWCBBPIWIJOHBD-OUKQBFOZSA-N 0 0 421.278 5.279 50 30 HKEARN O=C(C=CNc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000044843400 560897732 /nfs/dbraw/zinc/89/77/32/560897732.db2.gz QBNFQNPPMZJPGY-CCEZHUSRSA-N 0 0 408.295 5.837 50 30 HKEARN O=C(C=CNc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)cc1 ZINC000044843518 560897733 /nfs/dbraw/zinc/89/77/33/560897733.db2.gz GUGQPHPEVCRANF-BQYQJAHWSA-N 0 0 404.613 5.930 50 30 HKEARN CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)cc1 ZINC000044973488 560898327 /nfs/dbraw/zinc/89/83/27/560898327.db2.gz VINHBWOQGVUEOL-KRWDZBQOSA-N 0 0 408.571 5.070 50 30 HKEARN CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 ZINC000044973493 560898300 /nfs/dbraw/zinc/89/83/00/560898300.db2.gz VINHBWOQGVUEOL-QGZVFWFLSA-N 0 0 408.571 5.070 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccccc1C(F)(F)F ZINC000044973888 560898347 /nfs/dbraw/zinc/89/83/47/560898347.db2.gz MSXXKWRSUCJXEF-ZDUSSCGKSA-N 0 0 421.444 5.064 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccccc1C(F)(F)F ZINC000044973893 560898306 /nfs/dbraw/zinc/89/83/06/560898306.db2.gz MSXXKWRSUCJXEF-CYBMUJFWSA-N 0 0 421.444 5.064 50 30 HKEARN COc1ccc(-c2csc(N=NC(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000045068164 571308687 /nfs/dbraw/zinc/30/86/87/571308687.db2.gz ARFBIFYDJPZNCN-UHFFFAOYSA-N 0 0 413.546 6.072 50 30 HKEARN Clc1ccc(-c2csc(N=NC(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000045068171 526934170 /nfs/dbraw/zinc/93/41/70/526934170.db2.gz TWWQCIDUVKZRKS-UHFFFAOYSA-N 0 0 417.965 6.717 50 30 HKEARN Cc1ccc(/[NH+]=C(\[O-])Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1F ZINC000045896322 568421326 /nfs/dbraw/zinc/42/13/26/568421326.db2.gz UZNPZXXIHNCJNG-UHFFFAOYSA-N 0 0 409.461 5.643 50 30 HKEARN O=C(Nc1ccc(F)cc1F)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000045896327 568421334 /nfs/dbraw/zinc/42/13/34/568421334.db2.gz RHMTYHGXAYULLT-UHFFFAOYSA-N 0 0 413.424 5.473 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 ZINC000045939483 568920946 /nfs/dbraw/zinc/92/09/46/568920946.db2.gz LOEZCLHBZJUGOR-UHFFFAOYSA-N 0 0 400.526 5.086 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 ZINC000045939486 571040536 /nfs/dbraw/zinc/04/05/36/571040536.db2.gz SIORUDYCQAWUSP-UHFFFAOYSA-N 0 0 400.526 5.086 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 ZINC000045939490 568920932 /nfs/dbraw/zinc/92/09/32/568920932.db2.gz JCZLUANEEZYDIU-UHFFFAOYSA-N 0 0 414.553 5.340 50 30 HKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 ZINC000045939500 571040532 /nfs/dbraw/zinc/04/05/32/571040532.db2.gz KONCQEKUKMNPHJ-UHFFFAOYSA-N 0 0 414.553 5.394 50 30 HKEARN CC(C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2cccc(Cl)c2)cc1 ZINC000045939522 568921056 /nfs/dbraw/zinc/92/10/56/568921056.db2.gz IOJPCRXLTLSLAM-UHFFFAOYSA-N 0 0 406.917 5.066 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C(C)C)cc2)cc1F ZINC000045940044 568421673 /nfs/dbraw/zinc/42/16/73/568421673.db2.gz LZLSGRBPBMBMKE-UHFFFAOYSA-N 0 0 404.489 5.051 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccncc2)cc1 ZINC000045940287 568421654 /nfs/dbraw/zinc/42/16/54/568421654.db2.gz OJZDUGXXUYXZLF-GOSISDBHSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccncc2)cc1 ZINC000045940290 568421690 /nfs/dbraw/zinc/42/16/90/568421690.db2.gz OJZDUGXXUYXZLF-SFHVURJKSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2cccc(Cl)c2)cc1 ZINC000045940300 568421708 /nfs/dbraw/zinc/42/17/08/568421708.db2.gz PKCKZDXMDWQKEO-QGZVFWFLSA-N 0 0 420.944 5.456 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2cccc(Cl)c2)cc1 ZINC000045940303 568421790 /nfs/dbraw/zinc/42/17/90/568421790.db2.gz PKCKZDXMDWQKEO-KRWDZBQOSA-N 0 0 420.944 5.456 50 30 HKEARN CC(C)c1cccc(NC(=NCc2ccncc2)NC(=O)c2cccc(Cl)c2)c1 ZINC000045940344 568421801 /nfs/dbraw/zinc/42/18/01/568421801.db2.gz SHPUQMMNIUDRMX-UHFFFAOYSA-N 0 0 406.917 5.066 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccncc2)cc1 ZINC000045940368 568421850 /nfs/dbraw/zinc/42/18/50/568421850.db2.gz WGJOFRXBIJMADP-QGZVFWFLSA-N 0 0 420.944 5.647 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccncc2)cc1 ZINC000045940370 568421852 /nfs/dbraw/zinc/42/18/52/568421852.db2.gz WGJOFRXBIJMADP-KRWDZBQOSA-N 0 0 420.944 5.647 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 ZINC000045940379 568921487 /nfs/dbraw/zinc/92/14/87/568921487.db2.gz SYKPWBARIYOGBC-GOSISDBHSA-N 0 0 414.553 5.610 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 ZINC000045940381 568421800 /nfs/dbraw/zinc/42/18/00/568421800.db2.gz SYKPWBARIYOGBC-SFHVURJKSA-N 0 0 414.553 5.610 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccccc2F)NCc2ccncc2)cc1 ZINC000045940383 568921327 /nfs/dbraw/zinc/92/13/27/568921327.db2.gz VSNWTUFESXQDIT-QGZVFWFLSA-N 0 0 404.489 5.132 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccccc2F)NCc2ccncc2)cc1 ZINC000045940385 568421846 /nfs/dbraw/zinc/42/18/46/568421846.db2.gz VSNWTUFESXQDIT-KRWDZBQOSA-N 0 0 404.489 5.132 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccncc2)cc1 ZINC000045940391 568421813 /nfs/dbraw/zinc/42/18/13/568421813.db2.gz SRBFPZRBXSCEHS-LJQANCHMSA-N 0 0 400.526 5.302 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccncc2)cc1 ZINC000045940393 568421820 /nfs/dbraw/zinc/42/18/20/568421820.db2.gz SRBFPZRBXSCEHS-IBGZPJMESA-N 0 0 400.526 5.302 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NCc2ccncc2)cc1 ZINC000045940403 568421842 /nfs/dbraw/zinc/42/18/42/568421842.db2.gz HHSAOIRSKGVDEA-MRXNPFEDSA-N 0 0 422.479 5.271 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NCc2ccncc2)cc1 ZINC000045940405 568421789 /nfs/dbraw/zinc/42/17/89/568421789.db2.gz HHSAOIRSKGVDEA-INIZCTEOSA-N 0 0 422.479 5.271 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cc(C)cc(C)c2)NCc2ccncc2)cc1 ZINC000045940407 568421814 /nfs/dbraw/zinc/42/18/14/568421814.db2.gz CEFBXXUMDQBRPN-HXUWFJFHSA-N 0 0 414.553 5.610 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cc(C)cc(C)c2)NCc2ccncc2)cc1 ZINC000045940409 568421821 /nfs/dbraw/zinc/42/18/21/568421821.db2.gz CEFBXXUMDQBRPN-FQEVSTJZSA-N 0 0 414.553 5.610 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccncc2)cc1 ZINC000045940411 568421822 /nfs/dbraw/zinc/42/18/22/568421822.db2.gz NHUWMDHILBVJSR-QGZVFWFLSA-N 0 0 404.489 5.132 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccncc2)cc1 ZINC000045940413 568421796 /nfs/dbraw/zinc/42/17/96/568421796.db2.gz NHUWMDHILBVJSR-KRWDZBQOSA-N 0 0 404.489 5.132 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccccc2Cl)cc1 ZINC000045940423 568421829 /nfs/dbraw/zinc/42/18/29/568421829.db2.gz MFAZQSSQVWLVDD-QGZVFWFLSA-N 0 0 420.944 5.456 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccccc2Cl)cc1 ZINC000045940425 568421837 /nfs/dbraw/zinc/42/18/37/568421837.db2.gz MFAZQSSQVWLVDD-KRWDZBQOSA-N 0 0 420.944 5.456 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)cc2)NCc2ccncc2)cc1 ZINC000045940438 568421828 /nfs/dbraw/zinc/42/18/28/568421828.db2.gz VWUZAPSGFOPLMC-GOSISDBHSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)cc2)NCc2ccncc2)cc1 ZINC000045940439 568421833 /nfs/dbraw/zinc/42/18/33/568421833.db2.gz VWUZAPSGFOPLMC-SFHVURJKSA-N 0 0 416.525 5.002 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1C ZINC000045940483 568421794 /nfs/dbraw/zinc/42/17/94/568421794.db2.gz OFVHWDMURIUYFU-UHFFFAOYSA-N 0 0 414.553 5.394 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1C ZINC000045940532 568421795 /nfs/dbraw/zinc/42/17/95/568421795.db2.gz VSZFIUSZQXVDSN-UHFFFAOYSA-N 0 0 400.526 5.220 50 30 HKEARN CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1 ZINC000045940538 568421806 /nfs/dbraw/zinc/42/18/06/568421806.db2.gz MHCWIFNCSHKPBF-UHFFFAOYSA-N 0 0 416.525 5.002 50 30 HKEARN Cc1cc(C)cc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(C)C)c2)c1 ZINC000045940541 568421793 /nfs/dbraw/zinc/42/17/93/568421793.db2.gz XTKXNPPGXSWRAE-UHFFFAOYSA-N 0 0 400.526 5.220 50 30 HKEARN CC(C)c1cccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000045940551 568421857 /nfs/dbraw/zinc/42/18/57/568421857.db2.gz GWYPEUBMECBVMT-UHFFFAOYSA-N 0 0 424.907 5.205 50 30 HKEARN CCc1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 ZINC000045940559 568421810 /nfs/dbraw/zinc/42/18/10/568421810.db2.gz IKPHUQCMXFFEEG-UHFFFAOYSA-N 0 0 414.553 5.340 50 30 HKEARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccc(C#N)cc3)cc(C)c12 ZINC000045995673 568423184 /nfs/dbraw/zinc/42/31/84/568423184.db2.gz YSMIEWHGIFGWRF-UHFFFAOYSA-N 0 0 402.885 5.450 50 30 HKEARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccccc3C#N)cc(C)c12 ZINC000045995675 568423216 /nfs/dbraw/zinc/42/32/16/568423216.db2.gz JLJSJNRLYRKMCL-UHFFFAOYSA-N 0 0 402.885 5.450 50 30 HKEARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3cccc(C#N)c3)cc(C)c12 ZINC000045995677 568423213 /nfs/dbraw/zinc/42/32/13/568423213.db2.gz JGTOUTRUPXQOEX-UHFFFAOYSA-N 0 0 402.885 5.450 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OCC ZINC000046075901 518328340 /nfs/dbraw/zinc/32/83/40/518328340.db2.gz BJQHLRKAZLUELM-SFHVURJKSA-N 0 0 403.503 5.300 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OCC ZINC000046075904 518329166 /nfs/dbraw/zinc/32/91/66/518329166.db2.gz BJQHLRKAZLUELM-GOSISDBHSA-N 0 0 403.503 5.300 50 30 HKEARN C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(C)cc3)csc21 ZINC000046076002 519005546 /nfs/dbraw/zinc/00/55/46/519005546.db2.gz VNFRKHMZGQZSQX-GOSISDBHSA-N 0 0 405.519 5.771 50 30 HKEARN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(C)cc3)csc21 ZINC000046076005 519005826 /nfs/dbraw/zinc/00/58/26/519005826.db2.gz VNFRKHMZGQZSQX-SFHVURJKSA-N 0 0 405.519 5.771 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OC ZINC000046076036 519048368 /nfs/dbraw/zinc/04/83/68/519048368.db2.gz GNGORETXPMMDKW-GOSISDBHSA-N 0 0 405.519 5.771 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OC ZINC000046076039 519042770 /nfs/dbraw/zinc/04/27/70/519042770.db2.gz GNGORETXPMMDKW-SFHVURJKSA-N 0 0 405.519 5.771 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OC ZINC000046076042 518328999 /nfs/dbraw/zinc/32/89/99/518328999.db2.gz KAPJYUCKSFYUHX-GOSISDBHSA-N 0 0 403.503 5.218 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OC ZINC000046076045 518325822 /nfs/dbraw/zinc/32/58/22/518325822.db2.gz KAPJYUCKSFYUHX-SFHVURJKSA-N 0 0 403.503 5.218 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076059 519042835 /nfs/dbraw/zinc/04/28/35/519042835.db2.gz YKTIBCNNONKQAF-IBGZPJMESA-N 0 0 419.546 6.161 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076062 519048142 /nfs/dbraw/zinc/04/81/42/519048142.db2.gz YKTIBCNNONKQAF-LJQANCHMSA-N 0 0 419.546 6.161 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076065 518326632 /nfs/dbraw/zinc/32/66/32/518326632.db2.gz FRPXGVKSSPPBEC-IBGZPJMESA-N 0 0 417.530 5.608 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC ZINC000046076068 518329894 /nfs/dbraw/zinc/32/98/94/518329894.db2.gz FRPXGVKSSPPBEC-LJQANCHMSA-N 0 0 417.530 5.608 50 30 HKEARN C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076161 519005556 /nfs/dbraw/zinc/00/55/56/519005556.db2.gz YUVCUYLWZADOAO-GOSISDBHSA-N 0 0 421.518 5.471 50 30 HKEARN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000046076164 519006154 /nfs/dbraw/zinc/00/61/54/519006154.db2.gz YUVCUYLWZADOAO-SFHVURJKSA-N 0 0 421.518 5.471 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076249 519048726 /nfs/dbraw/zinc/04/87/26/519048726.db2.gz OBWYHJPOZFCTOQ-GOSISDBHSA-N 0 0 421.518 5.471 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OC ZINC000046076252 519042763 /nfs/dbraw/zinc/04/27/63/519042763.db2.gz OBWYHJPOZFCTOQ-SFHVURJKSA-N 0 0 421.518 5.471 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076611 519042831 /nfs/dbraw/zinc/04/28/31/519042831.db2.gz MSPBJTOTOZAUHM-INIZCTEOSA-N 0 0 409.482 5.602 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076613 519048785 /nfs/dbraw/zinc/04/87/85/519048785.db2.gz MSPBJTOTOZAUHM-MRXNPFEDSA-N 0 0 409.482 5.602 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076616 518328457 /nfs/dbraw/zinc/32/84/57/518328457.db2.gz GBDQBWGKUYGROB-INIZCTEOSA-N 0 0 407.466 5.049 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076618 518329037 /nfs/dbraw/zinc/32/90/37/518329037.db2.gz GBDQBWGKUYGROB-MRXNPFEDSA-N 0 0 407.466 5.049 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076634 518328400 /nfs/dbraw/zinc/32/84/00/518328400.db2.gz NTYWHZPNQCOZAF-KRWDZBQOSA-N 0 0 421.493 5.439 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OCC ZINC000046076637 518329463 /nfs/dbraw/zinc/32/94/63/518329463.db2.gz NTYWHZPNQCOZAF-QGZVFWFLSA-N 0 0 421.493 5.439 50 30 HKEARN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076785 519006348 /nfs/dbraw/zinc/00/63/48/519006348.db2.gz REIGIZYREJTLQA-KRWDZBQOSA-N 0 0 409.482 5.602 50 30 HKEARN C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076786 519005346 /nfs/dbraw/zinc/00/53/46/519005346.db2.gz REIGIZYREJTLQA-QGZVFWFLSA-N 0 0 409.482 5.602 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076835 519042718 /nfs/dbraw/zinc/04/27/18/519042718.db2.gz LYRNDAJUNTVBOC-KRWDZBQOSA-N 0 0 409.482 5.602 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076837 519048082 /nfs/dbraw/zinc/04/80/82/519048082.db2.gz LYRNDAJUNTVBOC-QGZVFWFLSA-N 0 0 409.482 5.602 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076839 518328110 /nfs/dbraw/zinc/32/81/10/518328110.db2.gz IIIHZBAENLFCNI-KRWDZBQOSA-N 0 0 407.466 5.049 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OC ZINC000046076841 518329954 /nfs/dbraw/zinc/32/99/54/518329954.db2.gz IIIHZBAENLFCNI-QGZVFWFLSA-N 0 0 407.466 5.049 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076851 519042756 /nfs/dbraw/zinc/04/27/56/519042756.db2.gz YREWTMFKBDSNIR-SFHVURJKSA-N 0 0 423.509 5.992 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076853 519048868 /nfs/dbraw/zinc/04/88/68/519048868.db2.gz YREWTMFKBDSNIR-GOSISDBHSA-N 0 0 423.509 5.992 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076855 518326014 /nfs/dbraw/zinc/32/60/14/518326014.db2.gz RQSAOOVOJPGTTJ-SFHVURJKSA-N 0 0 421.493 5.439 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1OCC ZINC000046076857 518329025 /nfs/dbraw/zinc/32/90/25/518329025.db2.gz RQSAOOVOJPGTTJ-GOSISDBHSA-N 0 0 421.493 5.439 50 30 HKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077085 519042708 /nfs/dbraw/zinc/04/27/08/519042708.db2.gz IOEPCDBTZKGYPW-KRWDZBQOSA-N 0 0 409.482 5.602 50 30 HKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077087 519048089 /nfs/dbraw/zinc/04/80/89/519048089.db2.gz IOEPCDBTZKGYPW-QGZVFWFLSA-N 0 0 409.482 5.602 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077089 518325888 /nfs/dbraw/zinc/32/58/88/518325888.db2.gz SGQZSNKSPGTUKX-KRWDZBQOSA-N 0 0 407.466 5.049 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OC ZINC000046077091 518329383 /nfs/dbraw/zinc/32/93/83/518329383.db2.gz SGQZSNKSPGTUKX-QGZVFWFLSA-N 0 0 407.466 5.049 50 30 HKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077101 518326960 /nfs/dbraw/zinc/32/69/60/518326960.db2.gz JTGORPQUYLOEFY-SFHVURJKSA-N 0 0 421.493 5.439 50 30 HKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1OCC ZINC000046077103 518329417 /nfs/dbraw/zinc/32/94/17/518329417.db2.gz JTGORPQUYLOEFY-GOSISDBHSA-N 0 0 421.493 5.439 50 30 HKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2nccnc2c1 ZINC000046085322 527156670 /nfs/dbraw/zinc/15/66/70/527156670.db2.gz KUIAQSVOCUKTQC-WYMLVPIESA-N 0 0 401.469 6.050 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(Cl)ccc2C)cc1C ZINC000046125270 568428464 /nfs/dbraw/zinc/42/84/64/568428464.db2.gz BBWLXBDQPFTIDA-UHFFFAOYSA-N 0 0 406.917 5.058 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(Cl)c2C)cc1C ZINC000046125628 568930828 /nfs/dbraw/zinc/93/08/28/568930828.db2.gz CIZZVJCQLUTQTL-UHFFFAOYSA-N 0 0 406.917 5.058 50 30 HKEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046125911 568428480 /nfs/dbraw/zinc/42/84/80/568428480.db2.gz SPYZLBLXMCAJLZ-UHFFFAOYSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccccn2)cc1 ZINC000046126853 568428698 /nfs/dbraw/zinc/42/86/98/568428698.db2.gz QSLCJRMMGOUTCZ-GOSISDBHSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccccn2)cc1 ZINC000046126858 568428712 /nfs/dbraw/zinc/42/87/12/568428712.db2.gz QSLCJRMMGOUTCZ-SFHVURJKSA-N 0 0 416.525 5.002 50 30 HKEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C(C)C)c2)cc1 ZINC000046126961 568428824 /nfs/dbraw/zinc/42/88/24/568428824.db2.gz SRFIFXKKWOTKBA-UHFFFAOYSA-N 0 0 416.525 5.002 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(Cl)c2C)cc1C ZINC000046127465 568428825 /nfs/dbraw/zinc/42/88/25/568428825.db2.gz UJZZRXNPHQMAHE-UHFFFAOYSA-N 0 0 406.917 5.058 50 30 HKEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046127758 568930858 /nfs/dbraw/zinc/93/08/58/568930858.db2.gz KOFJATQNKMHKPT-UHFFFAOYSA-N 0 0 416.525 5.002 50 30 HKEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(Cl)cc2C)cc1C ZINC000046128549 568429046 /nfs/dbraw/zinc/42/90/46/568429046.db2.gz LUJXHDALDOUFBZ-UHFFFAOYSA-N 0 0 406.917 5.058 50 30 HKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2cccnc2)cc1 ZINC000046128643 568429056 /nfs/dbraw/zinc/42/90/56/568429056.db2.gz VAFRTITXYVKSON-GOSISDBHSA-N 0 0 416.525 5.002 50 30 HKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cccc(OC)c2)NCc2cccnc2)cc1 ZINC000046128647 568429043 /nfs/dbraw/zinc/42/90/43/568429043.db2.gz VAFRTITXYVKSON-SFHVURJKSA-N 0 0 416.525 5.002 50 30 HKEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C(C)C)c2)cc1 ZINC000046128768 568429008 /nfs/dbraw/zinc/42/90/08/568429008.db2.gz SLUXQUVTWZXWOO-UHFFFAOYSA-N 0 0 416.525 5.002 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000048231748 568433502 /nfs/dbraw/zinc/43/35/02/568433502.db2.gz TVUIDYJSZQOZLL-RMKNXTFCSA-N 0 0 411.860 5.472 50 30 HKEARN N#Cc1cccc(COc2cccc(C=C(Cl)c3nc4ccccc4c(=O)[nH]3)c2)c1 ZINC000048237947 568433245 /nfs/dbraw/zinc/43/32/45/568433245.db2.gz HYLGRWNWQVBEII-FYJGNVAPSA-N 0 0 413.864 5.523 50 30 HKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000048252882 568434411 /nfs/dbraw/zinc/43/44/11/568434411.db2.gz PSHRKMJEEGRGSW-RMKNXTFCSA-N 0 0 411.860 5.472 50 30 HKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000048263880 568433768 /nfs/dbraw/zinc/43/37/68/568433768.db2.gz ACPURZQMBJGQQA-UHFFFAOYSA-N 0 0 412.424 5.302 50 30 HKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000048263931 568433840 /nfs/dbraw/zinc/43/38/40/568433840.db2.gz MQYXSCXNDWHBJZ-UHFFFAOYSA-N 0 0 403.507 5.637 50 30 HKEARN Cc1sc2nc(SCc3cn4ccccc4c3C#N)n(C(C)C)c(=O)c2c1C ZINC000048300659 568437365 /nfs/dbraw/zinc/43/73/65/568437365.db2.gz PUCBBPQDDCVZJF-UHFFFAOYSA-N 0 0 408.552 5.072 50 30 HKEARN COc1cc(/C=C/C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N ZINC000048326254 521937236 /nfs/dbraw/zinc/93/72/36/521937236.db2.gz XMYUGDGNVODJGU-RQOTYCFOSA-N 0 0 413.473 5.138 50 30 HKEARN COc1cc(/C=C/C(=O)O[C@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N ZINC000048326255 521938235 /nfs/dbraw/zinc/93/82/35/521938235.db2.gz XMYUGDGNVODJGU-DQRYEYLNSA-N 0 0 413.473 5.138 50 30 HKEARN N#Cc1ccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 ZINC000048344294 568440782 /nfs/dbraw/zinc/44/07/82/568440782.db2.gz LYLPHORFZUETPR-UHFFFAOYSA-N 0 0 415.440 5.207 50 30 HKEARN CCC(=O)c1ccc(OCC(=O)Nc2cc(-c3ccc(C#N)s3)ccc2C)cc1 ZINC000048355525 568441488 /nfs/dbraw/zinc/44/14/88/568441488.db2.gz MUKCYUDYDSSLMG-UHFFFAOYSA-N 0 0 404.491 5.205 50 30 HKEARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1 ZINC000049005153 568916822 /nfs/dbraw/zinc/91/68/22/568916822.db2.gz VWYDDXGDNTVBKN-GOSISDBHSA-N 0 0 417.488 5.097 50 30 HKEARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1 ZINC000049005155 568916885 /nfs/dbraw/zinc/91/68/85/568916885.db2.gz VWYDDXGDNTVBKN-SFHVURJKSA-N 0 0 417.488 5.097 50 30 HKEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc(Cl)cc1Cl)=C2 ZINC000049544027 523023945 /nfs/dbraw/zinc/02/39/45/523023945.db2.gz NQPCPSPVFNPMRN-UHFFFAOYSA-N 0 0 420.336 5.501 50 30 HKEARN CC(C)(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(Oc2ncccc2C#N)cc1 ZINC000049547466 568451616 /nfs/dbraw/zinc/45/16/16/568451616.db2.gz XAKIOQSHGHDFRD-IBGZPJMESA-N 0 0 419.510 5.121 50 30 HKEARN CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(Oc2ncccc2C#N)cc1 ZINC000049547468 568451551 /nfs/dbraw/zinc/45/15/51/568451551.db2.gz XAKIOQSHGHDFRD-LJQANCHMSA-N 0 0 419.510 5.121 50 30 HKEARN COc1cc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049551949 522050258 /nfs/dbraw/zinc/05/02/58/522050258.db2.gz SIJGRJACVSNQOW-AQTBWJFISA-N 0 0 414.461 5.012 50 30 HKEARN CN(C)/C=C/c1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3 ZINC000049590242 568453077 /nfs/dbraw/zinc/45/30/77/568453077.db2.gz RYMSLPLCDUAPMB-WUKNDPDISA-N 0 0 404.517 5.585 50 30 HKEARN O=C1CN(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000050097464 527005371 /nfs/dbraw/zinc/00/53/71/527005371.db2.gz GKRLUHYJSCSELM-SIBVSACJSA-N 0 0 424.331 5.371 50 30 HKEARN O=C1CN(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000050097466 527006146 /nfs/dbraw/zinc/00/61/46/527006146.db2.gz GKRLUHYJSCSELM-XHEHIBSSSA-N 0 0 424.331 5.371 50 30 HKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3 ZINC000050259486 518627001 /nfs/dbraw/zinc/62/70/01/518627001.db2.gz RKUMLBWOEPVZGN-UHFFFAOYSA-N 0 0 414.600 5.158 50 30 HKEARN C=CCOc1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 ZINC000050647379 519010662 /nfs/dbraw/zinc/01/06/62/519010662.db2.gz BLICNILJFYNOEB-QJOMJCCJSA-N 0 0 416.502 5.100 50 30 HKEARN O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000050647520 527591071 /nfs/dbraw/zinc/59/10/71/527591071.db2.gz BBOXMQYVSOYLDU-WOJGMQOQSA-N 0 0 407.429 5.196 50 30 HKEARN O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000050647524 527591385 /nfs/dbraw/zinc/59/13/85/527591385.db2.gz QXEIBUURUKJSGZ-CPNJWEJPSA-N 0 0 421.456 5.239 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC ZINC000050647525 523536548 /nfs/dbraw/zinc/53/65/48/523536548.db2.gz FPROBZJQYWPYEV-UYRXBGFRSA-N 0 0 423.472 5.485 50 30 HKEARN COc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c(OC)c1 ZINC000050647529 523535487 /nfs/dbraw/zinc/53/54/87/523535487.db2.gz JMUCIVBZLMFRNS-MOSHPQCFSA-N 0 0 423.472 5.485 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000050704703 520048197 /nfs/dbraw/zinc/04/81/97/520048197.db2.gz PLHQPDCORQTACY-UHFFFAOYSA-N 0 0 424.592 7.623 50 30 HKEARN CCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000050704987 520030794 /nfs/dbraw/zinc/03/07/94/520030794.db2.gz DOPPMVWKBSZVQH-UHFFFAOYSA-N 0 0 406.614 7.663 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000050704991 520031265 /nfs/dbraw/zinc/03/12/65/520031265.db2.gz VWCIIFHNIITXDH-QHCPKHFHSA-N 0 0 404.642 8.137 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000050704992 520031208 /nfs/dbraw/zinc/03/12/08/520031208.db2.gz VWCIIFHNIITXDH-HSZRJFAPSA-N 0 0 404.642 8.137 50 30 HKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1nc2ccccc2[nH]1 ZINC000050838668 527139559 /nfs/dbraw/zinc/13/95/59/527139559.db2.gz CCHVZDDHAPTVAX-YPKPFQOOSA-N 0 0 423.903 6.636 50 30 HKEARN CCCCCCCCCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000050860152 520015125 /nfs/dbraw/zinc/01/51/25/520015125.db2.gz FQMDKEVCPSRDMJ-UHFFFAOYSA-N 0 0 416.613 7.181 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000050860163 520051217 /nfs/dbraw/zinc/05/12/17/520051217.db2.gz FNWKIEPQFCRQBJ-OAQYLSRUSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000050860165 520052149 /nfs/dbraw/zinc/05/21/49/520052149.db2.gz FNWKIEPQFCRQBJ-NRFANRHFSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 ZINC000050860204 520047740 /nfs/dbraw/zinc/04/77/40/520047740.db2.gz BUPWCSSHMBJMSR-UHFFFAOYSA-N 0 0 416.613 7.315 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccc1 ZINC000050860210 520047304 /nfs/dbraw/zinc/04/73/04/520047304.db2.gz XLQXUCGHJQUXRT-UHFFFAOYSA-N 0 0 424.592 7.183 50 30 HKEARN CCCCCCCCCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCC2 ZINC000050860228 520015552 /nfs/dbraw/zinc/01/55/52/520015552.db2.gz VDUNMUYSAYHFMM-UHFFFAOYSA-N 0 0 402.586 6.791 50 30 HKEARN CCCCCCCCCCCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000050860231 520016157 /nfs/dbraw/zinc/01/61/57/520016157.db2.gz XOKUVQWLHNNJQT-UHFFFAOYSA-N 0 0 404.602 7.173 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(C)c1 ZINC000050860253 520048736 /nfs/dbraw/zinc/04/87/36/520048736.db2.gz NTOZBAYEEKCCBV-UHFFFAOYSA-N 0 0 424.592 7.623 50 30 HKEARN CCCCCCCCNc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21 ZINC000050860488 520037411 /nfs/dbraw/zinc/03/74/11/520037411.db2.gz HDTPDSUBVFLMRR-UHFFFAOYSA-N 0 0 404.602 7.029 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000050860495 520072116 /nfs/dbraw/zinc/07/21/16/520072116.db2.gz RAAQHTWCMDNAML-LJQANCHMSA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000050860497 520071904 /nfs/dbraw/zinc/07/19/04/520071904.db2.gz RAAQHTWCMDNAML-IBGZPJMESA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000050860536 520052103 /nfs/dbraw/zinc/05/21/03/520052103.db2.gz OXSWIZGRCVIYHT-OAQYLSRUSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000050860537 520051264 /nfs/dbraw/zinc/05/12/64/520051264.db2.gz OXSWIZGRCVIYHT-NRFANRHFSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000050860545 520072258 /nfs/dbraw/zinc/07/22/58/520072258.db2.gz JTDLCEIJFSKVCG-LJQANCHMSA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000050860546 520072219 /nfs/dbraw/zinc/07/22/19/520072219.db2.gz JTDLCEIJFSKVCG-IBGZPJMESA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCCCCCNc1cc(C(C)C)c(C#N)c2nc3ccccc3n21 ZINC000050860562 520016182 /nfs/dbraw/zinc/01/61/82/520016182.db2.gz LMNCROKHDCOFJH-UHFFFAOYSA-N 0 0 404.602 7.425 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000050860575 520050934 /nfs/dbraw/zinc/05/09/34/520050934.db2.gz KRKIVNMLBZEZOA-OAQYLSRUSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000050860577 520051606 /nfs/dbraw/zinc/05/16/06/520051606.db2.gz KRKIVNMLBZEZOA-NRFANRHFSA-N 0 0 403.570 6.226 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000050861246 520047803 /nfs/dbraw/zinc/04/78/03/520047803.db2.gz NPBPEHVLNFDQGY-UHFFFAOYSA-N 0 0 402.586 6.561 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 ZINC000050861249 520048306 /nfs/dbraw/zinc/04/83/06/520048306.db2.gz IVYFQEPXGXRVJS-UHFFFAOYSA-N 0 0 416.613 6.807 50 30 HKEARN CCCCCCCCCCCn1c2ccccc2nc1Cc1cccc2ccccc21 ZINC000050861352 520017062 /nfs/dbraw/zinc/01/70/62/520017062.db2.gz YVCZJHIECMIWFS-UHFFFAOYSA-N 0 0 412.621 8.311 50 30 HKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)ccc1OC ZINC000050861927 520034933 /nfs/dbraw/zinc/03/49/33/520034933.db2.gz RDCFNYLHRARABA-UHFFFAOYSA-N 0 0 409.530 5.133 50 30 HKEARN COc1cc(C(=O)/C(=C\c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065502 522048896 /nfs/dbraw/zinc/04/88/96/522048896.db2.gz SIJGRJACVSNQOW-QGOAFFKASA-N 0 0 414.461 5.012 50 30 HKEARN COc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1O ZINC000051092008 523379726 /nfs/dbraw/zinc/37/97/26/523379726.db2.gz OCEJCIROQIBDKQ-SFQUDFHCSA-N 0 0 404.853 5.354 50 30 HKEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000051318595 520719516 /nfs/dbraw/zinc/71/95/16/520719516.db2.gz MLJLDQZIKTVYQD-OUKQBFOZSA-N 0 0 402.288 5.215 50 30 HKEARN CCn1c2ccccc2c2cc(NC=CC(=O)c3ccc(Br)cc3)ccc21 ZINC000051318597 523275267 /nfs/dbraw/zinc/27/52/67/523275267.db2.gz RKIGVOFHLGVZPA-BUHFOSPRSA-N 0 0 419.322 6.385 50 30 HKEARN O=C(C=CNc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 ZINC000051318606 527596851 /nfs/dbraw/zinc/59/68/51/527596851.db2.gz IDOXNGPGOKHVQZ-BQYQJAHWSA-N 0 0 404.613 5.930 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000051366846 523606565 /nfs/dbraw/zinc/60/65/65/523606565.db2.gz WVKUJRXKEZACKK-MNWLEOAJSA-N 0 0 401.535 5.392 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366850 523606193 /nfs/dbraw/zinc/60/61/93/523606193.db2.gz LKQYULGPIDNFCE-MNWLEOAJSA-N 0 0 401.535 5.392 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366855 523606323 /nfs/dbraw/zinc/60/63/23/523606323.db2.gz GMUAHLKPDUUAGK-MNWLEOAJSA-N 0 0 417.534 5.093 50 30 HKEARN CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000051366893 523606636 /nfs/dbraw/zinc/60/66/36/523606636.db2.gz PMFKVTALUGFERM-IZNZCJHFSA-N 0 0 405.498 5.223 50 30 HKEARN CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000051366922 520895453 /nfs/dbraw/zinc/89/54/53/520895453.db2.gz MWGUENIFBORDOX-UIAIJNLVSA-N 0 0 415.562 5.782 50 30 HKEARN CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc32)C1=O ZINC000051366936 520896641 /nfs/dbraw/zinc/89/66/41/520896641.db2.gz DCQBXIAHENZUTI-MJHJUBQXSA-N 0 0 407.564 5.536 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O ZINC000051366970 521118896 /nfs/dbraw/zinc/11/88/96/521118896.db2.gz WCTSUQOMKZPMGE-MNWLEOAJSA-N 0 0 407.583 5.636 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000051366973 521119000 /nfs/dbraw/zinc/11/90/00/521119000.db2.gz YVUASLQDINPIKL-DZRHBTRISA-N 0 0 409.555 5.028 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000051366979 521120747 /nfs/dbraw/zinc/12/07/47/521120747.db2.gz VRFQWUJFWUXMCH-DZRHBTRISA-N 0 0 409.555 5.028 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000051366987 521119883 /nfs/dbraw/zinc/11/98/83/521119883.db2.gz NMXVGXJUXGIFNT-DZRHBTRISA-N 0 0 405.523 5.457 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366993 521118408 /nfs/dbraw/zinc/11/84/08/521118408.db2.gz WTXCCRJQCPCOEX-DZRHBTRISA-N 0 0 409.555 5.028 50 30 HKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O ZINC000051367007 521119199 /nfs/dbraw/zinc/11/91/99/521119199.db2.gz CBXLGGVASYWVNZ-IZNZCJHFSA-N 0 0 411.546 5.467 50 30 HKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000051367009 521253151 /nfs/dbraw/zinc/25/31/51/521253151.db2.gz LOLKGDPOQFSHNT-MUESUYGVSA-N 0 0 417.937 5.503 50 30 HKEARN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000052509431 518656662 /nfs/dbraw/zinc/65/66/62/518656662.db2.gz HKXBNHCUPKIYDM-ZKVKAWQFSA-N 0 0 412.658 6.612 50 30 HKEARN CCCCCCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 ZINC000053307387 520065446 /nfs/dbraw/zinc/06/54/46/520065446.db2.gz FBJIOJDLJFZPES-UHFFFAOYSA-N 0 0 415.628 6.462 50 30 HKEARN N#Cc1c(Cl)nsc1N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054124611 569059535 /nfs/dbraw/zinc/05/95/35/569059535.db2.gz FDGMFAZPTFSACY-UHFFFAOYSA-N 0 0 400.718 5.074 50 30 HKEARN Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1 ZINC000054430313 524198586 /nfs/dbraw/zinc/19/85/86/524198586.db2.gz DAHXRRZBSZZARD-SFHVURJKSA-N 0 0 416.278 5.344 50 30 HKEARN Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1 ZINC000054430315 524198256 /nfs/dbraw/zinc/19/82/56/524198256.db2.gz DAHXRRZBSZZARD-GOSISDBHSA-N 0 0 416.278 5.344 50 30 HKEARN CN1c2ccccc2[C@]2(Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)C1=O ZINC000055104759 524036776 /nfs/dbraw/zinc/03/67/76/524036776.db2.gz NUXBXQWKQMMKQW-HHHXNRCGSA-N 0 0 408.501 5.280 50 30 HKEARN CN1c2ccccc2[C@@]2(Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)C1=O ZINC000055104760 524036064 /nfs/dbraw/zinc/03/60/64/524036064.db2.gz NUXBXQWKQMMKQW-MHZLTWQESA-N 0 0 408.501 5.280 50 30 HKEARN COc1cc(C=NNC(=Nc2ccc(C)cc2)c2ccc3ccccc3n2)ccc1O ZINC000055501566 521986240 /nfs/dbraw/zinc/98/62/40/521986240.db2.gz GBLJHTHZGWFTAL-WGOQTCKBSA-N 0 0 410.477 5.150 50 30 HKEARN COc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2C2CCCCC2)cc1 ZINC000057223519 523469431 /nfs/dbraw/zinc/46/94/31/523469431.db2.gz JSHYBQMTTZEUIT-YVADOFBFSA-N 0 0 410.514 5.771 50 30 HKEARN CC1=C(C)SC(=C2SC(NN=C(c3ccccc3)c3ccccc3)=NC2=O)S1 ZINC000057354883 568827613 /nfs/dbraw/zinc/82/76/13/568827613.db2.gz OJLNVQXBHNTTKU-UHFFFAOYSA-N 0 0 423.588 5.559 50 30 HKEARN Cc1ccc(N2C(=O)c3ccccc3/C(=C\c3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000057399434 568831750 /nfs/dbraw/zinc/83/17/50/568831750.db2.gz TYYFUENSFGPGMS-XIEYBQDHSA-N 0 0 421.500 5.073 50 30 HKEARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2ccc(N(C)CCC#N)cc2)C1=O ZINC000057399481 568831784 /nfs/dbraw/zinc/83/17/84/568831784.db2.gz IDRCMFPGGBLQNU-HKOYGPOVSA-N 0 0 421.500 5.073 50 30 HKEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)s1 ZINC000057434718 568836725 /nfs/dbraw/zinc/83/67/25/568836725.db2.gz WMDLIKFWFUWONE-WQRHYEAKSA-N 0 0 412.923 5.666 50 30 HKEARN O=C1/C(=C/C=C/c2ccccc2)CN(Cc2ccccc2)C/C1=C\C=C\c1ccccc1 ZINC000057457577 558888636 /nfs/dbraw/zinc/88/86/36/558888636.db2.gz ACUDLGCHGBLTCW-HRZITWIFSA-N 0 0 417.552 6.351 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000057478228 520504671 /nfs/dbraw/zinc/50/46/71/520504671.db2.gz DKKNOHYQCWKPAZ-GOSISDBHSA-N 0 0 414.288 5.125 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000057478230 568839695 /nfs/dbraw/zinc/83/96/95/568839695.db2.gz DKKNOHYQCWKPAZ-SFHVURJKSA-N 0 0 414.288 5.125 50 30 HKEARN N#Cc1cccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC000057486346 568842103 /nfs/dbraw/zinc/84/21/03/568842103.db2.gz IXFJLRCUCGRDJH-UHFFFAOYSA-N 0 0 413.546 6.038 50 30 HKEARN C=CCn1c(SCc2cccc(C)c2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000057519934 568849173 /nfs/dbraw/zinc/84/91/73/568849173.db2.gz NNOTZHQPPJWTHK-UHFFFAOYSA-N 0 0 401.535 5.189 50 30 HKEARN O=C(Nc1ccccc1C(F)(F)F)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000057630883 568856895 /nfs/dbraw/zinc/85/68/95/568856895.db2.gz NWUNKADPVCWBAZ-UHFFFAOYSA-N 0 0 417.387 5.070 50 30 HKEARN N#CCCN(C(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000057992780 558892975 /nfs/dbraw/zinc/89/29/75/558892975.db2.gz VLTZYMNIFISJEE-LJQANCHMSA-N 0 0 420.315 5.216 50 30 HKEARN N#CCCN(C(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000057992782 526447580 /nfs/dbraw/zinc/44/75/80/526447580.db2.gz VLTZYMNIFISJEE-IBGZPJMESA-N 0 0 420.315 5.216 50 30 HKEARN C#Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 ZINC000058005877 568874806 /nfs/dbraw/zinc/87/48/06/568874806.db2.gz XBPKPJLWEVKATC-UHFFFAOYSA-N 0 0 405.504 5.119 50 30 HKEARN NC(=NOCc1coc(-c2ccc(Cl)cc2)n1)c1cccnc1Oc1ccccc1 ZINC000058047585 558896694 /nfs/dbraw/zinc/89/66/94/558896694.db2.gz LTZWEKJQQNTRFA-UHFFFAOYSA-N 0 0 420.856 5.019 50 30 HKEARN CCN(c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1)C(C)C ZINC000058053739 568881253 /nfs/dbraw/zinc/88/12/53/568881253.db2.gz ZXLVTENLVGMRPR-UHFFFAOYSA-N 0 0 414.509 5.541 50 30 HKEARN CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)sc2C)cs1)c1cccc(C)c1C ZINC000058109429 558899555 /nfs/dbraw/zinc/89/95/55/558899555.db2.gz METKHKVLMGYAGF-MDZDMXLPSA-N 0 0 410.564 6.019 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CNC(c3ccccc3)c3ccccc3)sc2C1 ZINC000058131715 568890070 /nfs/dbraw/zinc/89/00/70/568890070.db2.gz UFSKRERQSSKIFU-QGZVFWFLSA-N 0 0 415.562 5.062 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CNC(c3ccccc3)c3ccccc3)sc2C1 ZINC000058131725 568889938 /nfs/dbraw/zinc/88/99/38/568889938.db2.gz UFSKRERQSSKIFU-KRWDZBQOSA-N 0 0 415.562 5.062 50 30 HKEARN N#Cc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 ZINC000058157908 568892601 /nfs/dbraw/zinc/89/26/01/568892601.db2.gz UNPPROUHAOJLCO-UHFFFAOYSA-N 0 0 411.292 5.494 50 30 HKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3cccc(Cl)c3Cl)sc2C1 ZINC000058160229 568892639 /nfs/dbraw/zinc/89/26/39/568892639.db2.gz ZXBYEHWIZAQGLJ-GFCCVEGCSA-N 0 0 422.381 5.122 50 30 HKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3cccc(Cl)c3Cl)sc2C1 ZINC000058160230 568892730 /nfs/dbraw/zinc/89/27/30/568892730.db2.gz ZXBYEHWIZAQGLJ-LBPRGKRZSA-N 0 0 422.381 5.122 50 30 HKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 ZINC000058161094 568894377 /nfs/dbraw/zinc/89/43/77/568894377.db2.gz GMFFRJVFKXVAEF-FMIVXFBMSA-N 0 0 417.468 5.343 50 30 HKEARN CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000058161852 521189448 /nfs/dbraw/zinc/18/94/48/521189448.db2.gz CYTFXABWHSPVCF-INIZCTEOSA-N 0 0 411.962 5.163 50 30 HKEARN CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000058161853 568894632 /nfs/dbraw/zinc/89/46/32/568894632.db2.gz CYTFXABWHSPVCF-MRXNPFEDSA-N 0 0 411.962 5.163 50 30 HKEARN N#Cc1ccc(CN(Cn2c(=S)snc2-c2ccccc2)CC(F)(F)F)cc1 ZINC000058162814 568894244 /nfs/dbraw/zinc/89/42/44/568894244.db2.gz ZZEJDENXOCRWHA-UHFFFAOYSA-N 0 0 420.485 5.235 50 30 HKEARN CCc1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 ZINC000058176614 568896042 /nfs/dbraw/zinc/89/60/42/568896042.db2.gz PQZKNXIRCQQJJN-QFIPXVFZSA-N 0 0 421.591 5.050 50 30 HKEARN CCc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 ZINC000058176615 568896099 /nfs/dbraw/zinc/89/60/99/568896099.db2.gz PQZKNXIRCQQJJN-JOCHJYFZSA-N 0 0 421.591 5.050 50 30 HKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000058179509 568895989 /nfs/dbraw/zinc/89/59/89/568895989.db2.gz BXGLTTXBALVYNU-UHFFFAOYSA-N 0 0 408.486 5.419 50 30 HKEARN CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 ZINC000058196698 558911144 /nfs/dbraw/zinc/91/11/44/558911144.db2.gz UEHKICOEVGXWGY-BMRADRMJSA-N 0 0 407.513 6.813 50 30 HKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1c(F)cccc1Cl ZINC000058196701 558911187 /nfs/dbraw/zinc/91/11/87/558911187.db2.gz PFKYWBQNQVWZKP-CCEZHUSRSA-N 0 0 401.868 6.899 50 30 HKEARN Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 ZINC000058196714 558911147 /nfs/dbraw/zinc/91/11/47/558911147.db2.gz XKIWSQUQRXFJFZ-JLHYYAGUSA-N 0 0 415.496 6.358 50 30 HKEARN CCOc1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000058196716 558911169 /nfs/dbraw/zinc/91/11/69/558911169.db2.gz BDYPMVBUVRMMCR-GHRIWEEISA-N 0 0 407.513 6.813 50 30 HKEARN N#Cc1cccc(/C=C2\CN(C3CCCCC3)C/C(=C/c3cccc(C#N)c3)C2=O)c1 ZINC000058202024 558911300 /nfs/dbraw/zinc/91/13/00/558911300.db2.gz PGAHWBBCRMUAMG-WJVNUPORSA-N 0 0 407.517 5.114 50 30 HKEARN CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 ZINC000058268823 558915965 /nfs/dbraw/zinc/91/59/65/558915965.db2.gz AYYRDXJBSDULCB-LVZFUZTISA-N 0 0 420.556 6.953 50 30 HKEARN COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000058314796 558919174 /nfs/dbraw/zinc/91/91/74/558919174.db2.gz MDLWCTBPRFZONJ-ZRDIBKRKSA-N 0 0 420.534 5.658 50 30 HKEARN Cc1ccc(-n2cc(C(=O)Nc3ccc(OCC#N)cc3)c(-c3ccccc3)n2)cc1 ZINC000058323847 558919462 /nfs/dbraw/zinc/91/94/62/558919462.db2.gz CPCYAIDPUSMGER-UHFFFAOYSA-N 0 0 408.461 5.002 50 30 HKEARN O=C(/C=C/c1c(F)cccc1Cl)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000058324555 558919523 /nfs/dbraw/zinc/91/95/23/558919523.db2.gz SYSIWOKPMKUHFM-BUHFOSPRSA-N 0 0 403.840 5.884 50 30 HKEARN O=C(/C=C/c1ccc2nccnc2c1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000058324578 527622844 /nfs/dbraw/zinc/62/28/44/527622844.db2.gz YPPHEJKRAMUTTI-ACCUITESSA-N 0 0 403.441 5.034 50 30 HKEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000058380870 568915730 /nfs/dbraw/zinc/91/57/30/568915730.db2.gz KOOTYLWROOQJOQ-YVLHZVERSA-N 0 0 412.333 5.095 50 30 HKEARN C=C(Br)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000058391322 568928452 /nfs/dbraw/zinc/92/84/52/568928452.db2.gz YOADOFQSEXLEEX-BOPFTXTBSA-N 0 0 417.303 5.211 50 30 HKEARN COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1O ZINC000058407611 558924880 /nfs/dbraw/zinc/92/48/80/558924880.db2.gz MSZDLMFDGOGFOU-FARCUNLSSA-N 0 0 401.178 5.078 50 30 HKEARN CCCCCCCCCC(=O)Oc1cc(-c2ccccc2)nn1-c1cccc(C)c1 ZINC000058591983 568926311 /nfs/dbraw/zinc/92/63/11/568926311.db2.gz JGFYPDOORBZMQW-UHFFFAOYSA-N 0 0 404.554 6.894 50 30 HKEARN COc1ccccc1-c1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000058616344 568926718 /nfs/dbraw/zinc/92/67/18/568926718.db2.gz DZVIWYSHNFQBJH-UHFFFAOYSA-N 0 0 409.536 5.273 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000058826808 558930498 /nfs/dbraw/zinc/93/04/98/558930498.db2.gz RLQQAIRTBBHEMF-WGOQTCKBSA-N 0 0 404.535 5.316 50 30 HKEARN CCCCCCCCCCCCc1ccc(CCCCCCCCCCCC)cc1 ZINC000059213735 558932490 /nfs/dbraw/zinc/93/24/90/558932490.db2.gz UDDNERKMSGPLJQ-UHFFFAOYSA-N 0 0 414.762 10.613 50 30 HKEARN CCCCCCCC[C@H](Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C(=O)OC ZINC000059268483 568948461 /nfs/dbraw/zinc/94/84/61/568948461.db2.gz NPJNZIRWRSZQBF-QHCPKHFHSA-N 0 0 422.521 6.131 50 30 HKEARN CCCCCCCC[C@@H](Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C(=O)OC ZINC000059268484 568948478 /nfs/dbraw/zinc/94/84/78/568948478.db2.gz NPJNZIRWRSZQBF-HSZRJFAPSA-N 0 0 422.521 6.131 50 30 HKEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000059435917 527099138 /nfs/dbraw/zinc/09/91/38/527099138.db2.gz YTRHDPQXHJACCP-UDWIEESQSA-N 0 0 424.283 5.917 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc2ccccc21 ZINC000059461920 558936821 /nfs/dbraw/zinc/93/68/21/558936821.db2.gz XUAQPJGEWJUTGM-UKILVPOCSA-N 0 0 405.497 5.882 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc2ccccc21 ZINC000059461921 520258755 /nfs/dbraw/zinc/25/87/55/520258755.db2.gz XUAQPJGEWJUTGM-ILBGXUMGSA-N 0 0 405.497 5.882 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc2ccccc21 ZINC000059461922 520256908 /nfs/dbraw/zinc/25/69/08/520256908.db2.gz XUAQPJGEWJUTGM-ZCYQVOJMSA-N 0 0 405.497 5.882 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc2ccccc21 ZINC000059461923 558936805 /nfs/dbraw/zinc/93/68/05/558936805.db2.gz XUAQPJGEWJUTGM-NOZRDPDXSA-N 0 0 405.497 5.882 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccnc1 ZINC000059503805 568957334 /nfs/dbraw/zinc/95/73/34/568957334.db2.gz IWGURNQMFCWVMA-JOCHJYFZSA-N 0 0 404.514 5.234 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000059503806 568957408 /nfs/dbraw/zinc/95/74/08/568957408.db2.gz IWGURNQMFCWVMA-QFIPXVFZSA-N 0 0 404.514 5.234 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000059514709 568958153 /nfs/dbraw/zinc/95/81/53/568958153.db2.gz WJTCTZOMJDKFEN-OAQYLSRUSA-N 0 0 409.555 5.900 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccs1 ZINC000059514712 568958168 /nfs/dbraw/zinc/95/81/68/568958168.db2.gz WJTCTZOMJDKFEN-NRFANRHFSA-N 0 0 409.555 5.900 50 30 HKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000059530784 527330884 /nfs/dbraw/zinc/33/08/84/527330884.db2.gz BBDYPPRKVDRVIK-UHFFFAOYSA-N 0 0 402.216 5.390 50 30 HKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000059530788 568965548 /nfs/dbraw/zinc/96/55/48/568965548.db2.gz QLRXLZMTUSRULR-UHFFFAOYSA-N 0 0 402.216 5.390 50 30 HKEARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059620901 558937983 /nfs/dbraw/zinc/93/79/83/558937983.db2.gz HDAQHYKSPLYTEL-UHFFFAOYSA-N 0 0 416.243 6.387 50 30 HKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000059660570 527102370 /nfs/dbraw/zinc/10/23/70/527102370.db2.gz IQUJSDHMRLHYGS-UHFFFAOYSA-N 0 0 423.181 5.672 50 30 HKEARN CCCCCCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21 ZINC000059691125 520039710 /nfs/dbraw/zinc/03/97/10/520039710.db2.gz XHKYZTKESQPEMQ-UHFFFAOYSA-N 0 0 400.526 6.724 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCO ZINC000059725652 558462693 /nfs/dbraw/zinc/46/26/93/558462693.db2.gz HJPVEPFLQVCCLM-UHFFFAOYSA-N 0 0 411.715 7.697 50 30 in-vitro HKEARN CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC ZINC000059796782 520005820 /nfs/dbraw/zinc/00/58/20/520005820.db2.gz DZKXJUASMGQEMA-UHFFFAOYSA-N 0 0 424.754 9.932 50 30 HKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000059837363 558939464 /nfs/dbraw/zinc/93/94/64/558939464.db2.gz AQGCMDSHXOAESU-UHFFFAOYSA-N 0 0 401.228 5.995 50 30 HKEARN CCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCC ZINC000060059891 558940524 /nfs/dbraw/zinc/94/05/24/558940524.db2.gz DTLNWWCVFDUZMD-UHFFFAOYSA-N 0 0 400.604 5.940 50 30 HKEARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000060083895 558728243 /nfs/dbraw/zinc/72/82/43/558728243.db2.gz IZLIHVVWNOCDHR-UHFFFAOYSA-N 0 0 410.452 5.135 50 30 HKEARN CCCCCCCCCCCCCCOCCCCCCCCCCCCCC ZINC000060164470 558941546 /nfs/dbraw/zinc/94/15/46/558941546.db2.gz HANWHVWXFQSQGJ-UHFFFAOYSA-N 0 0 410.771 10.405 50 30 HKEARN CCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21 ZINC000060272676 558941987 /nfs/dbraw/zinc/94/19/87/558941987.db2.gz ZVUYYSZDKRSPES-UHFFFAOYSA-N 0 0 412.662 7.629 50 30 HKEARN CCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC ZINC000060292397 571317915 /nfs/dbraw/zinc/31/79/15/571317915.db2.gz CDXFYPWJGOODOG-SQFISAMPSA-N 0 0 422.738 9.708 50 30 in-vitro HKEARN C=CCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000060364742 518691815 /nfs/dbraw/zinc/69/18/15/518691815.db2.gz MWAYQMJRGPCDMJ-AWEZNQCLSA-N 0 0 411.354 5.595 50 30 HKEARN C=CCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000060364743 558888493 /nfs/dbraw/zinc/88/84/93/558888493.db2.gz MWAYQMJRGPCDMJ-CQSZACIVSA-N 0 0 411.354 5.595 50 30 HKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)cc1 ZINC000060383586 558954020 /nfs/dbraw/zinc/95/40/20/558954020.db2.gz ZWHSWQVLUZRPTF-UHFFFAOYSA-N 0 0 404.539 5.623 50 30 HKEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)[nH]c3ccc(F)cc31)=C2 ZINC000062001622 560565802 /nfs/dbraw/zinc/56/58/02/560565802.db2.gz IBZUDMGFXTYXGM-UHFFFAOYSA-N 0 0 422.500 5.123 50 30 biogenic HKEARN C#CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000062402676 560605351 /nfs/dbraw/zinc/60/53/51/560605351.db2.gz YNVLMLBYGLJWAI-GOSISDBHSA-N 0 0 423.944 5.022 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)cc1Cl ZINC000064473707 569063814 /nfs/dbraw/zinc/06/38/14/569063814.db2.gz IUNOECQXPGCOJY-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064473709 569063806 /nfs/dbraw/zinc/06/38/06/569063806.db2.gz ZBUUNSOFBHICKX-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064473718 569063837 /nfs/dbraw/zinc/06/38/37/569063837.db2.gz ZEEKVWCFBPEQRB-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)c(Cl)c1 ZINC000064473741 569063817 /nfs/dbraw/zinc/06/38/17/569063817.db2.gz LYTXMIWZOBOCQA-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN CC(C)c1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)cc1 ZINC000064473744 569063847 /nfs/dbraw/zinc/06/38/47/569063847.db2.gz RWHSHDRKAPHBGW-UHFFFAOYSA-N 0 0 416.500 5.224 50 30 HKEARN Cc1cc(Cl)ccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064473753 569063884 /nfs/dbraw/zinc/06/38/84/569063884.db2.gz SUEHPOKHABSZIZ-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1C ZINC000064473793 569063898 /nfs/dbraw/zinc/06/38/98/569063898.db2.gz JUONYWPQYKOSRC-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1cc(C)cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000064473795 569063880 /nfs/dbraw/zinc/06/38/80/569063880.db2.gz XGLUMWWGVZPKIA-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1ccc(C)c(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000064473796 569063840 /nfs/dbraw/zinc/06/38/40/569063840.db2.gz ZUYKXJAMCNJGFJ-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1F ZINC000064473798 569063897 /nfs/dbraw/zinc/06/38/97/569063897.db2.gz WODLYFASHACGKW-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1C ZINC000064473799 569063842 /nfs/dbraw/zinc/06/38/42/569063842.db2.gz FTUKSWZLYVOTOV-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c(C)c1 ZINC000064473801 569063864 /nfs/dbraw/zinc/06/38/64/569063864.db2.gz ZNXXXDSCSLMLFW-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN CCc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000064473820 569063879 /nfs/dbraw/zinc/06/38/79/569063879.db2.gz KWEBGOADJIXXGW-UHFFFAOYSA-N 0 0 418.928 5.177 50 30 HKEARN CCc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000064473824 569063855 /nfs/dbraw/zinc/06/38/55/569063855.db2.gz LOKAUSDOQLQEGD-UHFFFAOYSA-N 0 0 418.928 5.177 50 30 HKEARN Cc1cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)ccc1F ZINC000064473839 569063878 /nfs/dbraw/zinc/06/38/78/569063878.db2.gz YTQHGCWRFHJVPY-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2c1 ZINC000064473868 569063609 /nfs/dbraw/zinc/06/36/09/569063609.db2.gz CFIHFYXWHUMYHW-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)c2c1 ZINC000064473885 569063578 /nfs/dbraw/zinc/06/35/78/569063578.db2.gz KBWSFGJMDXMLFK-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)c(F)c4)CC3)c2c1 ZINC000064473895 569063599 /nfs/dbraw/zinc/06/35/99/569063599.db2.gz BTSXAKPYBODUCB-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)c(Cl)c1 ZINC000064473916 569063587 /nfs/dbraw/zinc/06/35/87/569063587.db2.gz RMGJRTGXUUFPNZ-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1 ZINC000064473924 569063607 /nfs/dbraw/zinc/06/36/07/569063607.db2.gz YLLQIJQSELWPCB-UHFFFAOYSA-N 0 0 412.537 5.393 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c2c1 ZINC000064473928 569063606 /nfs/dbraw/zinc/06/36/06/569063606.db2.gz QJVRPCREIRERNW-UHFFFAOYSA-N 0 0 422.891 5.063 50 30 HKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)c2c1 ZINC000064473933 569063582 /nfs/dbraw/zinc/06/35/82/569063582.db2.gz LVPYCHXOZTWDPF-UHFFFAOYSA-N 0 0 418.928 5.232 50 30 HKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000064624419 527661603 /nfs/dbraw/zinc/66/16/03/527661603.db2.gz FYJQJMIEZVMYSD-ZCFIWIBFSA-N 0 0 416.055 5.014 50 30 in-vitro HKEARN CCCCCC/C=C\CC/C=C\CCCCCCCCCCCCCCCCC ZINC000064858503 569109031 /nfs/dbraw/zinc/10/90/31/569109031.db2.gz KWUWRILZYFCPRI-ADYYPQGGSA-N 0 0 404.767 11.111 50 30 in-vitro HKEARN CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000064858530 519988051 /nfs/dbraw/zinc/98/80/51/519988051.db2.gz AKQOZSXOPVLUHA-UHFFFAOYSA-N 0 0 414.634 7.014 50 30 in-vitro HKEARN CCCN1c2ccc(NC(=O)c3ccc(C#N)cc3)cc2Sc2ccccc2C1=O ZINC000064979766 569141166 /nfs/dbraw/zinc/14/11/66/569141166.db2.gz YPMLXAVQYHCNMB-UHFFFAOYSA-N 0 0 413.502 5.332 50 30 HKEARN N#Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000064979791 569141164 /nfs/dbraw/zinc/14/11/64/569141164.db2.gz UXLBYKUJUFNXML-UHFFFAOYSA-N 0 0 411.486 5.084 50 30 HKEARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cc1 ZINC000065005378 569391048 /nfs/dbraw/zinc/39/10/48/569391048.db2.gz OTYSKOXNDOZUQR-UHFFFAOYSA-N 0 0 414.396 5.165 50 30 HKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000065164837 526966657 /nfs/dbraw/zinc/96/66/57/526966657.db2.gz YGULKYYUUCBTBK-HXUWFJFHSA-N 0 0 422.941 5.246 50 30 HKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2cccs2)C1 ZINC000065165043 558970204 /nfs/dbraw/zinc/97/02/04/558970204.db2.gz BREWKTFVMHVXND-IBGZPJMESA-N 0 0 422.579 5.290 50 30 HKEARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccc(C#N)cc3F)n2)cc1 ZINC000065218999 569198215 /nfs/dbraw/zinc/19/82/15/569198215.db2.gz FLAKSIDQGPMJOD-UHFFFAOYSA-N 0 0 404.426 5.037 50 30 HKEARN N#Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000065219162 569198198 /nfs/dbraw/zinc/19/81/98/569198198.db2.gz SMBYBGSDJPSPDK-UHFFFAOYSA-N 0 0 406.854 5.242 50 30 HKEARN N#Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000065219217 569198204 /nfs/dbraw/zinc/19/82/04/569198204.db2.gz DVIZZLDBIRJJTE-UHFFFAOYSA-N 0 0 424.844 5.382 50 30 HKEARN Cc1cccc(-c2noc(-c3sccc3NC(=O)c3ccc(C#N)cc3F)n2)c1 ZINC000065219295 569197893 /nfs/dbraw/zinc/19/78/93/569197893.db2.gz DDQFIKSXAORIQG-UHFFFAOYSA-N 0 0 404.426 5.037 50 30 HKEARN CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NC3CCCCCC3)n2c1C ZINC000065318731 569391866 /nfs/dbraw/zinc/39/18/66/569391866.db2.gz XEOMONVIWDOVAC-UHFFFAOYSA-N 0 0 422.554 5.554 50 30 HKEARN Cc1ccc2c(c1)sc1nc(-c3ccc(C#N)cc3)c(NCCCOC(C)C)n21 ZINC000065319305 569222032 /nfs/dbraw/zinc/22/20/32/569222032.db2.gz KYIURDVTEVWSFN-UHFFFAOYSA-N 0 0 404.539 5.623 50 30 HKEARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1 ZINC000065453294 569230463 /nfs/dbraw/zinc/23/04/63/569230463.db2.gz LRMTZXZBSAHDSJ-IRXDYDNUSA-N 0 0 404.535 5.985 50 30 HKEARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1 ZINC000065453299 569230468 /nfs/dbraw/zinc/23/04/68/569230468.db2.gz LRMTZXZBSAHDSJ-SJORKVTESA-N 0 0 404.535 5.985 50 30 HKEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000065453309 569230518 /nfs/dbraw/zinc/23/05/18/569230518.db2.gz MQEYBVPXKPFTEU-INIZCTEOSA-N 0 0 402.523 5.396 50 30 HKEARN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000065453315 526219147 /nfs/dbraw/zinc/21/91/47/526219147.db2.gz MQEYBVPXKPFTEU-MRXNPFEDSA-N 0 0 402.523 5.396 50 30 HKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1 ZINC000065532248 569234465 /nfs/dbraw/zinc/23/44/65/569234465.db2.gz DSQQKMMDIXQMNZ-BUHFOSPRSA-N 0 0 405.457 5.276 50 30 HKEARN CN(Cc1cccc(C#N)c1)Cn1cc(-c2ccccc2)n(CC(F)(F)F)c1=S ZINC000065591425 569236633 /nfs/dbraw/zinc/23/66/33/569236633.db2.gz IDDNFYKYOFUFST-UHFFFAOYSA-N 0 0 416.472 5.210 50 30 HKEARN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1c(F)cccc1Cl ZINC000065976386 569307397 /nfs/dbraw/zinc/30/73/97/569307397.db2.gz TWWMJUBCFUBCJH-RIYZIHGNSA-N 0 0 400.784 5.390 50 30 HKEARN Fc1ccc(C(F)(F)F)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000066088701 526326959 /nfs/dbraw/zinc/32/69/59/526326959.db2.gz PUYRWRFRFHWGMR-KXEZBXAJSA-N 0 0 419.127 6.616 50 30 HKEARN Cc1ccc(C(=O)c2c(/C=C/C=C/c3ccccc3)oc3cc(C#N)c(C#N)cc32)cc1 ZINC000066089284 569314429 /nfs/dbraw/zinc/31/44/29/569314429.db2.gz FXEJVCPLWYQSKR-NXZHAISVSA-N 0 0 414.464 6.442 50 30 HKEARN Cc1ccccc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 ZINC000066437629 568971079 /nfs/dbraw/zinc/97/10/79/568971079.db2.gz CHKWRXVBGOUUPC-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c1 ZINC000066437630 568970955 /nfs/dbraw/zinc/97/09/55/568970955.db2.gz UTLBVKQXUUAQPA-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c1 ZINC000066437634 568970931 /nfs/dbraw/zinc/97/09/31/568970931.db2.gz MUJMEVDLOHIONE-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1 ZINC000066437636 568971008 /nfs/dbraw/zinc/97/10/08/568971008.db2.gz FOHFHZPDDKNXMY-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437639 568970961 /nfs/dbraw/zinc/97/09/61/568970961.db2.gz VKUZEBRSNREQKQ-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437641 568970969 /nfs/dbraw/zinc/97/09/69/568970969.db2.gz MBFVWJCBAJKUIJ-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)c1 ZINC000066437644 568970977 /nfs/dbraw/zinc/97/09/77/568970977.db2.gz WVAQTTIVHZKSPO-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)c1 ZINC000066437646 568971015 /nfs/dbraw/zinc/97/10/15/568971015.db2.gz FUNKEOHJUOQTBA-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1 ZINC000066437651 568971094 /nfs/dbraw/zinc/97/10/94/568971094.db2.gz YNSRAMRPGWNWPO-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)cc1 ZINC000066437652 568970991 /nfs/dbraw/zinc/97/09/91/568970991.db2.gz GAWJYQHZKBAMBE-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437654 568971020 /nfs/dbraw/zinc/97/10/20/568971020.db2.gz NDASQFSDWQKEOD-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)cc1 ZINC000066437657 568971091 /nfs/dbraw/zinc/97/10/91/568971091.db2.gz KMCCTJOAZJSNBI-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1 ZINC000066437659 568970987 /nfs/dbraw/zinc/97/09/87/568970987.db2.gz RSVMNBGFKQVRQG-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437695 568971097 /nfs/dbraw/zinc/97/10/97/568971097.db2.gz GHZXWQQFGNWXDI-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437757 568971034 /nfs/dbraw/zinc/97/10/34/568971034.db2.gz DTBSCABQQBRVJX-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437759 568970958 /nfs/dbraw/zinc/97/09/58/568970958.db2.gz FPEUBIAAXHVTPR-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437761 568971037 /nfs/dbraw/zinc/97/10/37/568971037.db2.gz OVPPBUATNCMFOJ-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437771 568970975 /nfs/dbraw/zinc/97/09/75/568970975.db2.gz BGESBYWMJCJMPH-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN CC(C)c1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437776 568970994 /nfs/dbraw/zinc/97/09/94/568970994.db2.gz YCGWJQYNBLYUSI-UHFFFAOYSA-N 0 0 424.548 5.732 50 30 HKEARN CCc1ccccc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 ZINC000066437781 568970951 /nfs/dbraw/zinc/97/09/51/568970951.db2.gz WQPXDRNZPOLVOZ-UHFFFAOYSA-N 0 0 424.548 5.479 50 30 HKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1cccc(F)c1 ZINC000066437803 568970972 /nfs/dbraw/zinc/97/09/72/568970972.db2.gz SDYVEAPZSJHMIX-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)c1 ZINC000066437805 568971043 /nfs/dbraw/zinc/97/10/43/568971043.db2.gz GDLFUKNDBNKYJG-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1 ZINC000066437806 568971062 /nfs/dbraw/zinc/97/10/62/568971062.db2.gz TUUVIDWERKKWJE-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 ZINC000067258520 571057644 /nfs/dbraw/zinc/05/76/44/571057644.db2.gz UVSTZLGTBIVTPJ-UHFFFAOYSA-N 0 0 417.921 5.262 50 30 HKEARN N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 ZINC000067259577 571058888 /nfs/dbraw/zinc/05/88/88/571058888.db2.gz RNRZYOOAWYUXTC-UHFFFAOYSA-N 0 0 417.921 5.262 50 30 HKEARN C#CC(CCCC(C#C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000067319189 568942845 /nfs/dbraw/zinc/94/28/45/568942845.db2.gz VGMGNSWHLFMYFQ-UHFFFAOYSA-N 0 0 424.587 7.396 50 30 HKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)c(C)c3)oc2c1 ZINC000067321394 558986269 /nfs/dbraw/zinc/98/62/69/558986269.db2.gz YNGOCHAKKVBUSO-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN CCCCCCCCCCNC(=O)C(Br)(C(F)(F)F)C(F)(F)F ZINC000068575183 520019450 /nfs/dbraw/zinc/01/94/50/520019450.db2.gz DWJGJCRKHCGOCG-UHFFFAOYSA-N 0 0 414.228 5.502 50 30 HKEARN CCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000068589226 519976906 /nfs/dbraw/zinc/97/69/06/519976906.db2.gz ITSZCDLNGBMMHT-UHFFFAOYSA-N 0 0 415.581 7.008 50 30 HKEARN CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC ZINC000068589536 558863671 /nfs/dbraw/zinc/86/36/71/558863671.db2.gz DROMNWUQASBTFM-UHFFFAOYSA-N 0 0 418.618 7.501 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1c(C)cccc1C ZINC000068766783 558864874 /nfs/dbraw/zinc/86/48/74/558864874.db2.gz BQDZDJADGLUHJT-FDHBPBSMSA-N 0 0 421.566 5.067 50 30 HKEARN Cn1c2ccccc2c(-c2ccccc2)c(C(=O)/C=C/c2ccc3nccnc3c2)c1=O ZINC000069351887 571222045 /nfs/dbraw/zinc/22/20/45/571222045.db2.gz PNTZSQSIGKLROG-WYMLVPIESA-N 0 0 417.468 5.045 50 30 HKEARN Cn1c2ccccc2c(-c2ccccc2)c(C(=O)/C=C/c2cccc3cccnc23)c1=O ZINC000069351894 571222058 /nfs/dbraw/zinc/22/20/58/571222058.db2.gz LSBAXXYOQINPON-WUKNDPDISA-N 0 0 416.480 5.650 50 30 HKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccccc1F ZINC000069383094 571225735 /nfs/dbraw/zinc/22/57/35/571225735.db2.gz QCBZCKCSNOQQFO-NTCAYCPXSA-N 0 0 401.868 6.899 50 30 HKEARN CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC ZINC000070664852 569413205 /nfs/dbraw/zinc/41/32/05/569413205.db2.gz CVLLHCKELSRMOR-RPWUZVMVSA-N 0 0 419.606 5.862 50 30 biogenic HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664870 569359030 /nfs/dbraw/zinc/35/90/30/569359030.db2.gz XKCSBVSQDYCBQX-QHGKGOKPSA-N 0 0 402.732 8.614 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O ZINC000070665138 559043666 /nfs/dbraw/zinc/04/36/66/559043666.db2.gz UAJPPQYHAXPBMV-UHFFFAOYSA-N 0 0 414.590 6.654 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000070665345 569413193 /nfs/dbraw/zinc/41/31/93/569413193.db2.gz FJYQLFPQKOBYMM-QHCPKHFHSA-N 0 0 424.673 8.095 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000070665347 569413176 /nfs/dbraw/zinc/41/31/76/569413176.db2.gz FJYQLFPQKOBYMM-HSZRJFAPSA-N 0 0 424.673 8.095 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@H]12 ZINC000070665483 569413210 /nfs/dbraw/zinc/41/32/10/569413210.db2.gz GXCLTLUTGZEMKG-HOFKKMOUSA-N 0 0 412.662 7.899 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@H]12 ZINC000070665485 569413189 /nfs/dbraw/zinc/41/31/89/569413189.db2.gz GXCLTLUTGZEMKG-KCWPFWIISA-N 0 0 412.662 7.899 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@@H]12 ZINC000070665487 569413155 /nfs/dbraw/zinc/41/31/55/569413155.db2.gz GXCLTLUTGZEMKG-WNCULLNHSA-N 0 0 412.662 7.899 50 30 biogenic HKEARN CCCCCCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@@H]12 ZINC000070665488 569413201 /nfs/dbraw/zinc/41/32/01/569413201.db2.gz GXCLTLUTGZEMKG-YIXXDRMTSA-N 0 0 412.662 7.899 50 30 biogenic HKEARN CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000070687509 520062026 /nfs/dbraw/zinc/06/20/26/520062026.db2.gz COVRGLNJQIFMIC-FOHRATBMSA-N 0 0 418.581 5.673 50 30 biogenic HKEARN CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000070687511 569048670 /nfs/dbraw/zinc/04/86/70/569048670.db2.gz COVRGLNJQIFMIC-YJUNHESCSA-N 0 0 418.581 5.673 50 30 biogenic HKEARN CCCCCCCCCCCCN1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000070687535 520007701 /nfs/dbraw/zinc/00/77/01/520007701.db2.gz PWVSILVMYYCGIM-SANMLTNESA-N 0 0 423.601 6.124 50 30 biogenic HKEARN CCCCCCCCCCCCCCCc1noc2c1/C(=N/OC(C)=O)CCC2 ZINC000070687771 569413285 /nfs/dbraw/zinc/41/32/85/569413285.db2.gz NTQMIYPICFRDEH-YYDJUVGSSA-N 0 0 404.595 6.912 50 30 biogenic HKEARN Cc1ccc(/N=C(/c2ccccc2)N(N)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000071195137 569251292 /nfs/dbraw/zinc/25/12/92/569251292.db2.gz MGIBBPGAOYAZHS-NFFVHWSESA-N 0 0 407.477 5.289 50 30 HKEARN O=C1NC(=Nc2cccc(Br)c2)C(=Cc2cccc3nccnc23)S1 ZINC000071288376 569252418 /nfs/dbraw/zinc/25/24/18/569252418.db2.gz FHAFKNZZWOGBHY-DHDCSXOGSA-N 0 0 411.284 5.124 50 30 HKEARN CCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000071782832 571300862 /nfs/dbraw/zinc/30/08/62/571300862.db2.gz FBMXLHMQUBYVTL-CMJZJTAVSA-N 0 0 418.581 5.718 50 30 HKEARN CC(C)[C@@H]1CC[C@](C)(C[C@@H]2CC(=O)[C@@]34CC[C@@H](C)[C@@H]3CC[C@@]24C)[C@H]1OS(C)(=O)=O ZINC000071786211 569013069 /nfs/dbraw/zinc/01/30/69/569013069.db2.gz WHAKDIODNDKDDS-CKCRBEDZSA-N 0 0 424.647 5.215 50 30 HKEARN CC(C)[C@@H]1CC[C@](C)(C[C@H]2CC(=O)[C@@]34CC[C@@H](C)[C@@H]3CC[C@@]24C)[C@H]1OS(C)(=O)=O ZINC000071786212 569013079 /nfs/dbraw/zinc/01/30/79/569013079.db2.gz WHAKDIODNDKDDS-FLLRVKOOSA-N 0 0 424.647 5.215 50 30 HKEARN C=C(C)CC[C@@H]1[C@@H](C)CC[C@@H]2C[C@@H](Sc3ccccc3)[C@@]3(CO)CC(=C)C[C@H]3[C@]21C ZINC000071786416 569013086 /nfs/dbraw/zinc/01/30/86/569013086.db2.gz GACNHQFKPIMNQM-QBHXXJDVSA-N 0 0 424.694 7.521 50 30 HKEARN COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F ZINC000072025307 558432257 /nfs/dbraw/zinc/43/22/57/558432257.db2.gz IEZDXDMKOPCCJZ-UHFFFAOYSA-N 0 0 404.441 5.378 50 30 HKEARN C=CCCCCCCCCCOc1ccc(OCCCCCCCCCC=C)cc1 ZINC000072099148 518699923 /nfs/dbraw/zinc/69/99/23/518699923.db2.gz WCFSIYFISCSTNX-UHFFFAOYSA-N 0 0 414.674 9.058 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000072176181 558930460 /nfs/dbraw/zinc/93/04/60/558930460.db2.gz BLHLKJLSYHEOGY-UHFFFAOYSA-N 0 0 404.679 9.072 50 30 endogenous,in-man HKEARN Cc1ccc(N2C(=O)c3ccccc3/C(=C/c3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000072235931 558635361 /nfs/dbraw/zinc/63/53/61/558635361.db2.gz TYYFUENSFGPGMS-BWAHOGKJSA-N 0 0 421.500 5.073 50 30 HKEARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccc(N(C)CCC#N)cc2)C1=O ZINC000072235932 558635349 /nfs/dbraw/zinc/63/53/49/558635349.db2.gz IDRCMFPGGBLQNU-MOHJPFBDSA-N 0 0 421.500 5.073 50 30 HKEARN C#CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000072273312 558694403 /nfs/dbraw/zinc/69/44/03/558694403.db2.gz XLKKQCUMOUAKGS-UHFFFAOYSA-N 0 0 422.579 5.282 50 30 HKEARN CCCCCC[C@@H](C)N(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1C(=O)OC ZINC000072300854 558750560 /nfs/dbraw/zinc/75/05/60/558750560.db2.gz BOGZXTGCVMHYED-QGZVFWFLSA-N 0 0 407.514 5.054 50 30 HKEARN CCCCCC[C@H](C)N(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1C(=O)OC ZINC000072300855 558750525 /nfs/dbraw/zinc/75/05/25/558750525.db2.gz BOGZXTGCVMHYED-KRWDZBQOSA-N 0 0 407.514 5.054 50 30 HKEARN Cc1ccc(F)c(S(=O)(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000072305604 558760165 /nfs/dbraw/zinc/76/01/65/558760165.db2.gz LCCOJAJCGOCFTE-AWEZNQCLSA-N 0 0 416.314 5.162 50 30 HKEARN Cc1ccc(F)c(S(=O)(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000072305605 558760188 /nfs/dbraw/zinc/76/01/88/558760188.db2.gz LCCOJAJCGOCFTE-CQSZACIVSA-N 0 0 416.314 5.162 50 30 HKEARN Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 ZINC000072305873 558762073 /nfs/dbraw/zinc/76/20/73/558762073.db2.gz KKCVAIPYKPKWDC-IBGZPJMESA-N 0 0 416.529 5.182 50 30 HKEARN Cc1[nH]c([C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 ZINC000072305874 558762100 /nfs/dbraw/zinc/76/21/00/558762100.db2.gz KKCVAIPYKPKWDC-LJQANCHMSA-N 0 0 416.529 5.182 50 30 HKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C/c2ccc3nccnc3c2)cc1 ZINC000072314662 558848134 /nfs/dbraw/zinc/84/81/34/558848134.db2.gz NUOFYJUBXKLPHV-GXDHUFHOSA-N 0 0 415.496 6.358 50 30 HKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000072314682 558848328 /nfs/dbraw/zinc/84/83/28/558848328.db2.gz LWVXTTVWXWYVEU-QGOAFFKASA-N 0 0 406.529 6.481 50 30 HKEARN CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccc(C)cc1 ZINC000072314685 558848292 /nfs/dbraw/zinc/84/82/92/558848292.db2.gz NSSRLUGKYAFVES-ISLYRVAYSA-N 0 0 407.513 6.813 50 30 HKEARN C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000072328178 558863236 /nfs/dbraw/zinc/86/32/36/558863236.db2.gz WPYONZVQFLCBLU-GBYSFBBLSA-N 0 0 415.606 6.971 50 30 HKEARN C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000072328179 558863179 /nfs/dbraw/zinc/86/31/79/558863179.db2.gz WPYONZVQFLCBLU-CTOFZRSPSA-N 0 0 415.606 6.971 50 30 HKEARN N#Cc1c(=S)[nH]c(-c2ccc(Br)cc2)cc1-c1ccc(Cl)cc1 ZINC000072332264 526512361 /nfs/dbraw/zinc/51/23/61/526512361.db2.gz GEVRAKPUSPMBHN-MRXNPFEDSA-N 0 0 401.716 5.456 50 30 HKEARN N#Cc1c(=S)[nH]c(-c2ccc(Br)cc2)cc1-c1ccc(Cl)cc1 ZINC000072332265 558935408 /nfs/dbraw/zinc/93/54/08/558935408.db2.gz GEVRAKPUSPMBHN-INIZCTEOSA-N 0 0 401.716 5.456 50 30 HKEARN COc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O ZINC000072334092 558935315 /nfs/dbraw/zinc/93/53/15/558935315.db2.gz VKPIZWNDCXLANN-AFUMVMLFSA-N 0 0 416.433 5.159 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000072400077 558977226 /nfs/dbraw/zinc/97/72/26/558977226.db2.gz QKQVFFACWLFRRX-UHFFFAOYSA-N 0 0 414.586 7.488 50 30 in-vitro HKEARN O=C1NC(=Nc2cccc(OC(F)(F)F)c2)C(=Cc2cccc3nccnc23)S1 ZINC000072400424 559189081 /nfs/dbraw/zinc/18/90/81/559189081.db2.gz YWIZHAYYJRYFPS-DHDCSXOGSA-N 0 0 416.384 5.260 50 30 HKEARN O=C1NC(=Nc2ccc(Br)cc2)C(=Cc2cccc3nccnc23)S1 ZINC000072401277 527514600 /nfs/dbraw/zinc/51/46/00/527514600.db2.gz BDVQMQFSELPKOL-GDNBJRDFSA-N 0 0 411.284 5.124 50 30 HKEARN O=C1NC(=Nc2ccc(OC(F)(F)F)cc2)C(=Cc2cccc3nccnc23)S1 ZINC000072401996 558936525 /nfs/dbraw/zinc/93/65/25/558936525.db2.gz XKZHDOSBVHHJAX-GDNBJRDFSA-N 0 0 416.384 5.260 50 30 HKEARN COc1cc2cc(CN3CCC[C@H](C#N)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072421523 558978335 /nfs/dbraw/zinc/97/83/35/558978335.db2.gz WZTXVOCVJNPSRX-MRXNPFEDSA-N 0 0 421.928 5.308 50 30 HKEARN COc1cc2cc(CN3CCC[C@@H](C#N)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072421524 558978315 /nfs/dbraw/zinc/97/83/15/558978315.db2.gz WZTXVOCVJNPSRX-INIZCTEOSA-N 0 0 421.928 5.308 50 30 HKEARN CCC[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 ZINC000072427528 558988558 /nfs/dbraw/zinc/98/85/58/558988558.db2.gz VNWBNDPAWABFIA-AWEZNQCLSA-N 0 0 400.276 5.565 50 30 HKEARN CCC[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 ZINC000072427529 558988617 /nfs/dbraw/zinc/98/86/17/558988617.db2.gz VNWBNDPAWABFIA-CQSZACIVSA-N 0 0 400.276 5.565 50 30 HKEARN C[C@H](Nc1oc(Cc2cccc3ccccc32)nc1C#N)c1cccc(C(F)(F)F)c1 ZINC000072427666 558988557 /nfs/dbraw/zinc/98/85/57/558988557.db2.gz PWUFWXKIYYFLML-HNNXBMFYSA-N 0 0 421.422 6.482 50 30 HKEARN C[C@@H](Nc1oc(Cc2cccc3ccccc32)nc1C#N)c1cccc(C(F)(F)F)c1 ZINC000072427667 558988604 /nfs/dbraw/zinc/98/86/04/558988604.db2.gz PWUFWXKIYYFLML-OAHLLOKOSA-N 0 0 421.422 6.482 50 30 HKEARN CCCCCCCCCCN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000077292643 520017183 /nfs/dbraw/zinc/01/71/83/520017183.db2.gz AWGULBUAOMFSCY-UHFFFAOYSA-N 0 0 421.581 6.577 50 30 in-vitro HKEARN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3SCCC#N)n2)cc1 ZINC000078668847 519833980 /nfs/dbraw/zinc/83/39/80/519833980.db2.gz FWYCDXSOQCALDH-UHFFFAOYSA-N 0 0 420.538 5.437 50 30 HKEARN N#CCCSc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000078668951 526463886 /nfs/dbraw/zinc/46/38/86/526463886.db2.gz HAXQAGPJNFKFTB-UHFFFAOYSA-N 0 0 404.491 5.502 50 30 HKEARN COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(CSC(C)C)c1C ZINC000078877225 569421192 /nfs/dbraw/zinc/42/11/92/569421192.db2.gz UYBMAHWEYXYBFZ-UHFFFAOYSA-N 0 0 412.555 5.315 50 30 HKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc12 ZINC000079052876 569425675 /nfs/dbraw/zinc/42/56/75/569425675.db2.gz DUUQDXBIQXNVCE-UHFFFAOYSA-N 0 0 406.898 5.197 50 30 HKEARN C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 ZINC000079058343 569426206 /nfs/dbraw/zinc/42/62/06/569426206.db2.gz AZDJWGDVXMLSII-UHFFFAOYSA-N 0 0 412.902 5.633 50 30 HKEARN O=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1Cl)c1ccco1 ZINC000080340277 568602622 /nfs/dbraw/zinc/60/26/22/568602622.db2.gz ZYGJVRYBZZVYPW-SRZZPIQSSA-N 0 0 403.663 5.698 50 30 HKEARN COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1SC ZINC000082048876 569403192 /nfs/dbraw/zinc/40/31/92/569403192.db2.gz JDHVOTOBVMJYSB-ZDUSSCGKSA-N 0 0 421.950 5.267 50 30 HKEARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC ZINC000082048879 569403238 /nfs/dbraw/zinc/40/32/38/569403238.db2.gz JDHVOTOBVMJYSB-CYBMUJFWSA-N 0 0 421.950 5.267 50 30 HKEARN N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1Cl ZINC000082055635 569403206 /nfs/dbraw/zinc/40/32/06/569403206.db2.gz PZMZDXWACSEOSU-FQEVSTJZSA-N 0 0 413.955 5.570 50 30 HKEARN N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl ZINC000082055636 569403198 /nfs/dbraw/zinc/40/31/98/569403198.db2.gz PZMZDXWACSEOSU-HXUWFJFHSA-N 0 0 413.955 5.570 50 30 HKEARN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000082097264 522403209 /nfs/dbraw/zinc/40/32/09/522403209.db2.gz XTUMATVDZQLZGK-UHFFFAOYSA-N 0 0 408.260 5.508 50 30 HKEARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1F ZINC000082098399 568821656 /nfs/dbraw/zinc/82/16/56/568821656.db2.gz NJNZFWAHEHCFHP-SFHVURJKSA-N 0 0 404.869 5.066 50 30 HKEARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1F ZINC000082098400 568821699 /nfs/dbraw/zinc/82/16/99/568821699.db2.gz NJNZFWAHEHCFHP-GOSISDBHSA-N 0 0 404.869 5.066 50 30 HKEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000082107521 522403463 /nfs/dbraw/zinc/40/34/63/522403463.db2.gz DULISFNLEKVNNF-UHFFFAOYSA-N 0 0 408.260 5.508 50 30 HKEARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1Cl ZINC000082107523 527587166 /nfs/dbraw/zinc/58/71/66/527587166.db2.gz ZQRYKPOWHHHHJI-QGZVFWFLSA-N 0 0 421.324 5.580 50 30 HKEARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1Cl ZINC000082107524 568821844 /nfs/dbraw/zinc/82/18/44/568821844.db2.gz ZQRYKPOWHHHHJI-KRWDZBQOSA-N 0 0 421.324 5.580 50 30 HKEARN CN(Cc1csc(Br)c1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000083862042 568921478 /nfs/dbraw/zinc/92/14/78/568921478.db2.gz CWUGTPOPXAGSPU-UHFFFAOYSA-N 0 0 411.324 5.321 50 30 HKEARN Cc1sc2nc([C@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)nc(N)c2c1C ZINC000084076947 568935302 /nfs/dbraw/zinc/93/53/02/568935302.db2.gz RHAYABQPNSJZRW-JTQLQIEISA-N 0 0 423.489 5.338 50 30 HKEARN Cc1sc2nc([C@@H](C)Sc3nc(C)cc(C(F)(F)F)c3C#N)nc(N)c2c1C ZINC000084076950 568935526 /nfs/dbraw/zinc/93/55/26/568935526.db2.gz RHAYABQPNSJZRW-SNVBAGLBSA-N 0 0 423.489 5.338 50 30 HKEARN CC(C)(C)C(=O)N1CCC(=NOCc2csc(-c3ccccc3Cl)n2)CC1 ZINC000084140012 568940213 /nfs/dbraw/zinc/94/02/13/568940213.db2.gz NKHSKGKYJJSYHC-UHFFFAOYSA-N 0 0 405.951 5.005 50 30 HKEARN N#C[C@H](C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 ZINC000084368074 568947656 /nfs/dbraw/zinc/94/76/56/568947656.db2.gz UHBZOIZCLLRTTG-AWEZNQCLSA-N 0 0 406.816 5.972 50 30 HKEARN N#C[C@@H](C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 ZINC000084368078 568947588 /nfs/dbraw/zinc/94/75/88/568947588.db2.gz UHBZOIZCLLRTTG-CQSZACIVSA-N 0 0 406.816 5.972 50 30 HKEARN N#CCOc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084393524 568948535 /nfs/dbraw/zinc/94/85/35/568948535.db2.gz DRJMBYCQQMLNDP-IBGZPJMESA-N 0 0 403.404 5.367 50 30 HKEARN N#CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084393528 568948538 /nfs/dbraw/zinc/94/85/38/568948538.db2.gz DRJMBYCQQMLNDP-LJQANCHMSA-N 0 0 403.404 5.367 50 30 HKEARN Brc1ccc(N=CC=CC=CNc2ccc(Br)cc2)cc1 ZINC000084459772 559054295 /nfs/dbraw/zinc/05/42/95/559054295.db2.gz LCGIWYLFITWHBL-YTLURPJLSA-N 0 0 406.121 6.096 50 30 HKEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000084609792 568952769 /nfs/dbraw/zinc/95/27/69/568952769.db2.gz JWZMJYDJNGFEJU-UHFFFAOYSA-N 0 0 405.866 5.104 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc(Cl)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000085206077 559056537 /nfs/dbraw/zinc/05/65/37/559056537.db2.gz IUZAYWPRPYUXOA-UHFFFAOYSA-N 0 0 402.918 5.826 50 30 HKEARN Cc1nc(NCc2ccccc2)nc(N)c1C#CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000085388625 568984202 /nfs/dbraw/zinc/98/42/02/568984202.db2.gz INYHVRGAFCQOQC-UHFFFAOYSA-N 0 0 424.470 5.327 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)c(O)c1 ZINC000085413348 559056841 /nfs/dbraw/zinc/05/68/41/559056841.db2.gz DBPRBYHZBKIWBO-DEOSSOPVSA-N 0 0 403.909 6.508 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)c(O)c1 ZINC000085413352 559056873 /nfs/dbraw/zinc/05/68/73/559056873.db2.gz DBPRBYHZBKIWBO-XMMPIXPASA-N 0 0 403.909 6.508 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000085413354 559056895 /nfs/dbraw/zinc/05/68/95/559056895.db2.gz QDNUTDJOPIPYTJ-DEOSSOPVSA-N 0 0 421.462 7.168 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000085413358 520269619 /nfs/dbraw/zinc/26/96/19/520269619.db2.gz QDNUTDJOPIPYTJ-XMMPIXPASA-N 0 0 421.462 7.168 50 30 HKEARN CCc1cccc(NC(=NC(=O)c2cccs2)NCCc2c[nH]c3ccccc23)c1 ZINC000085581302 569002305 /nfs/dbraw/zinc/00/23/05/569002305.db2.gz PDALHRQPGDAJJR-UHFFFAOYSA-N 0 0 416.550 5.232 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c1 ZINC000085581303 569002222 /nfs/dbraw/zinc/00/22/22/569002222.db2.gz PIWISLNUFHFMCQ-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)c1 ZINC000085581336 569002314 /nfs/dbraw/zinc/00/23/14/569002314.db2.gz DUQMJXRQMCFPMY-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)cc1 ZINC000085581340 569002221 /nfs/dbraw/zinc/00/22/21/569002221.db2.gz YJCSDWWTCMMHJU-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1ccc(C)c(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)c1 ZINC000085581344 569002277 /nfs/dbraw/zinc/00/22/77/569002277.db2.gz OTSFILYZZNTBBL-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000085581349 569002233 /nfs/dbraw/zinc/00/22/33/569002233.db2.gz DIYCVWAYTBDPBR-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F ZINC000085581379 569002302 /nfs/dbraw/zinc/00/23/02/569002302.db2.gz ZUJAATVTJUKHEF-UHFFFAOYSA-N 0 0 414.484 5.056 50 30 HKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1 ZINC000085581388 569002239 /nfs/dbraw/zinc/00/22/39/569002239.db2.gz BSCGQJGPYYQCQJ-UHFFFAOYSA-N 0 0 424.548 5.534 50 30 HKEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)c1C ZINC000085581393 569002271 /nfs/dbraw/zinc/00/22/71/569002271.db2.gz UKXCUKCBKZLMPB-UHFFFAOYSA-N 0 0 410.521 5.225 50 30 HKEARN CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC ZINC000085589797 569062873 /nfs/dbraw/zinc/06/28/73/569062873.db2.gz VWOKINHIVGKNRX-UHFFFAOYSA-N 0 0 424.754 9.932 50 30 in-vitro HKEARN CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC ZINC000085733709 519981516 /nfs/dbraw/zinc/98/15/16/519981516.db2.gz HETBCUMLBCUVKC-UHFFFAOYSA-N 0 0 424.714 7.061 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000085831548 559057613 /nfs/dbraw/zinc/05/76/13/559057613.db2.gz SCVPLVIKFSVDDH-UHFFFAOYSA-N 0 0 424.754 9.932 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000085836253 519994701 /nfs/dbraw/zinc/99/47/01/519994701.db2.gz VHUJBYYFFWDLNM-UHFFFAOYSA-N 0 0 410.727 9.542 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)=O ZINC000085836272 569063057 /nfs/dbraw/zinc/06/30/57/569063057.db2.gz TXJQEFZXBSKQGU-UHFFFAOYSA-N 0 0 424.754 9.932 50 30 HKEARN Cc1ccc(S(=O)(=O)OCCn2c3ccccc3c3c2-c2ccccc2CC3)cc1 ZINC000086012774 559058011 /nfs/dbraw/zinc/05/80/11/559058011.db2.gz ZOIKYMFWKSAQGU-UHFFFAOYSA-N 0 0 417.530 5.121 50 30 HKEARN CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC ZINC000086047236 520039927 /nfs/dbraw/zinc/03/99/27/520039927.db2.gz XWVQUJDBOICHGH-UHFFFAOYSA-N 0 0 412.655 7.525 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC ZINC000086050952 569013062 /nfs/dbraw/zinc/01/30/62/569013062.db2.gz KBODESQIOVVMAI-UHFFFAOYSA-N 0 0 424.754 9.932 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000087724199 520253359 /nfs/dbraw/zinc/25/33/59/520253359.db2.gz DUGRMDBVAGUQJS-UHFFFAOYSA-N 0 0 413.470 5.081 50 30 HKEARN C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccncc1 ZINC000089694249 569262578 /nfs/dbraw/zinc/26/25/78/569262578.db2.gz DVMXEIWRAZJDLK-UHFFFAOYSA-N 0 0 423.542 5.165 50 30 HKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3OCc3ccc(F)cc3)cc2)cc1 ZINC000089813134 569266403 /nfs/dbraw/zinc/26/64/03/569266403.db2.gz VJWOQIHQGKASEO-UHFFFAOYSA-N 0 0 423.443 6.163 50 30 HKEARN O=S(=O)(Oc1ccc(/N=C/c2cccs2)cc1)c1cc(Cl)ccc1Cl ZINC000091302285 527262383 /nfs/dbraw/zinc/26/23/83/527262383.db2.gz NGXMLBXWKMRQQG-RGVLZGJSSA-N 0 0 412.319 5.573 50 30 HKEARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C=NNc3ccc(Cl)cc3)c2)n1 ZINC000091695231 559073133 /nfs/dbraw/zinc/07/31/33/559073133.db2.gz UZJROELRVBLJQU-LGJNPRDNSA-N 0 0 418.850 5.933 50 30 HKEARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=NNc3ccc(Cl)cc3)cc2)n1 ZINC000091695257 559073136 /nfs/dbraw/zinc/07/31/36/559073136.db2.gz JQSNKVNUBPJYTQ-LGJNPRDNSA-N 0 0 418.850 5.933 50 30 HKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCSC)n2)cc1 ZINC000094992853 568593473 /nfs/dbraw/zinc/59/34/73/568593473.db2.gz LQLYWTCTSLQVKW-UHFFFAOYSA-N 0 0 424.513 6.049 50 30 HKEARN O=C(/C=C\c1c(F)cccc1Cl)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000095116050 568596089 /nfs/dbraw/zinc/59/60/89/568596089.db2.gz SYSIWOKPMKUHFM-YPKPFQOOSA-N 0 0 403.840 5.884 50 30 HKEARN N#Cc1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cc1 ZINC000095349159 568600414 /nfs/dbraw/zinc/60/04/14/568600414.db2.gz MTCUJWBWHBDWBU-UHFFFAOYSA-N 0 0 410.296 5.119 50 30 HKEARN Cc1sc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(C#N)c1C ZINC000095349535 568600742 /nfs/dbraw/zinc/60/07/42/568600742.db2.gz PHQSPPBLBIBLLE-UHFFFAOYSA-N 0 0 414.861 6.376 50 30 HKEARN N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000095352986 568601526 /nfs/dbraw/zinc/60/15/26/568601526.db2.gz LHZLOAWNBXYQLO-HNNXBMFYSA-N 0 0 412.301 6.088 50 30 HKEARN N#C[C@H](C(=O)c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000095352987 568601541 /nfs/dbraw/zinc/60/15/41/568601541.db2.gz LHZLOAWNBXYQLO-OAHLLOKOSA-N 0 0 412.301 6.088 50 30 HKEARN C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)c1 ZINC000095408501 568606342 /nfs/dbraw/zinc/60/63/42/568606342.db2.gz DUCNIANLLMVVRU-NRFANRHFSA-N 0 0 402.498 5.319 50 30 HKEARN C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)c1 ZINC000095408502 568606339 /nfs/dbraw/zinc/60/63/39/568606339.db2.gz DUCNIANLLMVVRU-OAQYLSRUSA-N 0 0 402.498 5.319 50 30 HKEARN CC(C)CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000095471987 568627258 /nfs/dbraw/zinc/62/72/58/568627258.db2.gz KMGNEHJUEJOWPC-UHFFFAOYSA-N 0 0 401.535 5.152 50 30 HKEARN COc1cccc(N=C2NC(=O)SC2=Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000095473475 568628803 /nfs/dbraw/zinc/62/88/03/568628803.db2.gz VMRQLZWDPVAFJL-FYJGNVAPSA-N 0 0 417.490 5.401 50 30 HKEARN O=C1NC(=Nc2cccc(Br)c2)C(=Cc2ccc3nccnc3c2)S1 ZINC000095477028 568630808 /nfs/dbraw/zinc/63/08/08/568630808.db2.gz BXHQDCWWSCMCBR-CXUHLZMHSA-N 0 0 411.284 5.124 50 30 HKEARN COc1cccc(N=C2NC(=O)SC2=Cc2cccc(OCc3cccnc3)c2)c1 ZINC000095478367 525778267 /nfs/dbraw/zinc/77/82/67/525778267.db2.gz ZTPJLOKKEJSNSE-CIAFOILYSA-N 0 0 417.490 5.401 50 30 HKEARN COc1cccc(N=C2NC(=O)SC2=Cc2cccc(Oc3ncccn3)c2)c1 ZINC000095478451 568631760 /nfs/dbraw/zinc/63/17/60/568631760.db2.gz VUEJVLJXLLELFI-LDADJPATSA-N 0 0 404.451 5.009 50 30 HKEARN COc1cccc(N=C2NC(=O)SC2=Cc2ccccc2OCc2ccccn2)c1 ZINC000095478666 568631896 /nfs/dbraw/zinc/63/18/96/568631896.db2.gz SESPYYZJZRMDQF-FYJGNVAPSA-N 0 0 417.490 5.401 50 30 HKEARN O=C1NC(=Nc2ccc(OC(F)(F)F)cc2)C(=Cc2ccc3nccnc3c2)S1 ZINC000095479981 568632775 /nfs/dbraw/zinc/63/27/75/568632775.db2.gz MRJWPWHKMZRIRU-MHWRWJLKSA-N 0 0 416.384 5.260 50 30 HKEARN COc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000095482060 568634017 /nfs/dbraw/zinc/63/40/17/568634017.db2.gz HTIFNTLILXJPOF-DHRITJCHSA-N 0 0 420.852 5.803 50 30 HKEARN Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2o1 ZINC000095482066 568633911 /nfs/dbraw/zinc/63/39/11/568633911.db2.gz YMHDNRDTISUVTP-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 ZINC000095482067 559081323 /nfs/dbraw/zinc/08/13/23/559081323.db2.gz JZVOGXDLKNNWQL-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000095482117 568634195 /nfs/dbraw/zinc/63/41/95/568634195.db2.gz SYSJOGHOSMPWDM-FOCLMDBBSA-N 0 0 420.468 6.528 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Cl)cc1Cl ZINC000095482962 559081356 /nfs/dbraw/zinc/08/13/56/559081356.db2.gz FLNHXIZNFPNIRI-PZJWPPBQSA-N 0 0 424.327 6.036 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095572327 559087320 /nfs/dbraw/zinc/08/73/20/559087320.db2.gz ULFUJLFTRWWLPO-XMMPIXPASA-N 0 0 415.533 5.521 50 30 in-vitro HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095572328 559087347 /nfs/dbraw/zinc/08/73/47/559087347.db2.gz ULFUJLFTRWWLPO-DEOSSOPVSA-N 0 0 415.533 5.521 50 30 in-vitro HKEARN CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000095618410 574417056 /nfs/dbraw/zinc/41/70/56/574417056.db2.gz RUVUHIUYGJBLGI-SWLGACBESA-N 0 0 412.702 8.233 50 30 endogenous,in-man HKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1O ZINC000095618972 559087595 /nfs/dbraw/zinc/08/75/95/559087595.db2.gz ZTYYEUNNYCJSBT-SFHVURJKSA-N 0 0 411.288 5.915 50 30 HKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1O ZINC000095618973 559087624 /nfs/dbraw/zinc/08/76/24/559087624.db2.gz ZTYYEUNNYCJSBT-GOSISDBHSA-N 0 0 411.288 5.915 50 30 HKEARN CC(=CNOC(=O)c1c(F)cccc1F)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000095626608 519348425 /nfs/dbraw/zinc/34/84/25/519348425.db2.gz BLTQPBWKCZOXTK-LOIOVEMKSA-N 0 0 420.630 5.556 50 30 HKEARN CC(=CNOC(=O)c1ccc(F)cc1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000095626610 559087579 /nfs/dbraw/zinc/08/75/79/559087579.db2.gz GJUJGQQJYJMEOS-QFNQXPJWSA-N 0 0 402.640 5.417 50 30 HKEARN CC(C=NOCc1c(F)cccc1Cl)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000095626611 559087608 /nfs/dbraw/zinc/08/76/08/559087608.db2.gz GKRFZQVSIYQHLL-AEJFBDKMSA-N 0 0 423.102 6.430 50 30 HKEARN CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000095660840 559087742 /nfs/dbraw/zinc/08/77/42/559087742.db2.gz SPQDJFIUDLFURP-OAQYLSRUSA-N 0 0 405.604 5.981 50 30 HKEARN CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000095660843 520014134 /nfs/dbraw/zinc/01/41/34/520014134.db2.gz IOZCWAPNTISCKP-HXUWFJFHSA-N 0 0 410.023 6.626 50 30 HKEARN CCCCCCCCCCCCCCOS(=O)(=O)c1cc(OC)ccc1OC ZINC000095660896 559087814 /nfs/dbraw/zinc/08/78/14/559087814.db2.gz HXEKFLMXIBMHOE-UHFFFAOYSA-N 0 0 414.608 6.110 50 30 HKEARN CCO[C@](F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095671249 559087758 /nfs/dbraw/zinc/08/77/58/559087758.db2.gz HHBBIOLEJRWIGU-LURJTMIESA-N 0 0 414.108 5.355 50 30 HKEARN CCO[C@@](F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095671250 559087873 /nfs/dbraw/zinc/08/78/73/559087873.db2.gz HHBBIOLEJRWIGU-ZCFIWIBFSA-N 0 0 414.108 5.355 50 30 HKEARN F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095671259 527660818 /nfs/dbraw/zinc/66/08/18/527660818.db2.gz RGBFMLVTZCWFSL-OWOJBTEDSA-N 0 0 400.056 5.803 50 30 HKEARN FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671260 559087871 /nfs/dbraw/zinc/08/78/71/559087871.db2.gz YCBPKOZNGFQMPB-UHFFFAOYSA-N 0 0 400.056 5.803 50 30 HKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681695 559087839 /nfs/dbraw/zinc/08/78/39/559087839.db2.gz JCRVQXKRULILSR-UHFFFAOYSA-N 0 0 402.072 5.328 50 30 HKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681696 559087825 /nfs/dbraw/zinc/08/78/25/559087825.db2.gz KBHBUUBXEQUIMV-UHFFFAOYSA-N 0 0 420.062 5.626 50 30 HKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)F ZINC000095681869 527679611 /nfs/dbraw/zinc/67/96/11/527679611.db2.gz GHBZJUJZNRLHBI-XIXRPRMCSA-N 0 0 400.056 5.082 50 30 HKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)F ZINC000095681871 527679766 /nfs/dbraw/zinc/67/97/66/527679766.db2.gz GHBZJUJZNRLHBI-JCYAYHJZSA-N 0 0 400.056 5.082 50 30 HKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)F ZINC000095681872 559087838 /nfs/dbraw/zinc/08/78/38/559087838.db2.gz GHBZJUJZNRLHBI-LWMBPPNESA-N 0 0 400.056 5.082 50 30 HKEARN FC(F)(Cl)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)C(F)(Cl)Cl ZINC000095681911 559087864 /nfs/dbraw/zinc/08/78/64/559087864.db2.gz DVAVTWDOWVBESE-LWMBPPNESA-N 0 0 420.313 5.999 50 30 HKEARN FC(F)(Cl)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)C(F)(Cl)Cl ZINC000095681912 559087842 /nfs/dbraw/zinc/08/78/42/559087842.db2.gz DVAVTWDOWVBESE-NCGGTJAESA-N 0 0 420.313 5.999 50 30 HKEARN FC(Cl)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000095681913 559087844 /nfs/dbraw/zinc/08/78/44/559087844.db2.gz DVAVTWDOWVBESE-NHYDCYSISA-N 0 0 420.313 5.999 50 30 HKEARN FC(F)(Cl)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)C(F)(Cl)Cl ZINC000095681914 527661459 /nfs/dbraw/zinc/66/14/59/527661459.db2.gz DVAVTWDOWVBESE-JCYAYHJZSA-N 0 0 420.313 5.999 50 30 HKEARN CCCCCCCN1CCc2c1n1ncc(-c3ccc(OC)c(OC)c3)c1nc2C ZINC000095686747 568643772 /nfs/dbraw/zinc/64/37/72/568643772.db2.gz LFORMMVSWCSJJS-UHFFFAOYSA-N 0 0 408.546 5.055 50 30 HKEARN CCCCCCCCCCCCSCc1csc(Cc2ccc(OC)cc2)n1 ZINC000095696370 559087969 /nfs/dbraw/zinc/08/79/69/559087969.db2.gz BLMFMGBJAJKSEY-UHFFFAOYSA-N 0 0 419.700 7.897 50 30 HKEARN FC(F)(F)c1cccc(CSc2ncc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000095703748 527685932 /nfs/dbraw/zinc/68/59/32/527685932.db2.gz XJWSVMJEXPTKFC-UHFFFAOYSA-N 0 0 405.285 6.430 50 30 HKEARN FC(F)(F)c1ccc(CSc2ncc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000095703749 559088018 /nfs/dbraw/zinc/08/80/18/559088018.db2.gz CVBCTYARSKBIAB-UHFFFAOYSA-N 0 0 405.285 6.430 50 30 HKEARN C=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707935 559088070 /nfs/dbraw/zinc/08/80/70/559088070.db2.gz KSXRFZHNNOXBLE-UHFFFAOYSA-N 0 0 424.982 5.634 50 30 HKEARN FC(F)(F)C(F)(F)C(F)(F)C(/C=C/Br)(C(F)(F)F)C(F)(F)F ZINC000095707954 569278617 /nfs/dbraw/zinc/27/86/17/569278617.db2.gz KVLSPRHWDKLGCE-OWOJBTEDSA-N 0 0 424.982 5.839 50 30 HKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)F)C1(F)F ZINC000095719248 559088260 /nfs/dbraw/zinc/08/82/60/559088260.db2.gz LOQGSOTUHASIHI-XIXRPRMCSA-N 0 0 400.056 5.082 50 30 HKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)F)C1(F)F ZINC000095719249 527678373 /nfs/dbraw/zinc/67/83/73/527678373.db2.gz LOQGSOTUHASIHI-LWMBPPNESA-N 0 0 400.056 5.082 50 30 HKEARN CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1 ZINC000095719472 559088233 /nfs/dbraw/zinc/08/82/33/559088233.db2.gz GAODDBNJCKQQDY-UHFFFAOYSA-N 0 0 424.760 8.888 50 30 HKEARN CCCCCCCC(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc32)s1 ZINC000095722903 559088245 /nfs/dbraw/zinc/08/82/45/559088245.db2.gz CFDHZENTBOCFPJ-UHFFFAOYSA-N 0 0 420.991 6.190 50 30 HKEARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742569 559088441 /nfs/dbraw/zinc/08/84/41/559088441.db2.gz ZTSOMJAZCVBQKU-UHFFFAOYSA-N 0 0 415.255 5.673 50 30 HKEARN C/C(=N\N=C(/N=C/N(C)C)SCc1ccc(Cl)cc1Cl)c1ccc(C)nc1 ZINC000095747895 559088461 /nfs/dbraw/zinc/08/84/61/559088461.db2.gz CHIBMZQCLVZJKL-UMXYJSEHSA-N 0 0 422.385 5.300 50 30 HKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]12 ZINC000095871197 569067678 /nfs/dbraw/zinc/06/76/78/569067678.db2.gz CMMUMPUVMQKMLU-VIUFNMEASA-N 0 0 410.730 9.054 50 30 HKEARN N#CCCSc1ccccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000095944763 526464111 /nfs/dbraw/zinc/46/41/11/526464111.db2.gz AMQXMDFXIPYNNR-UHFFFAOYSA-N 0 0 401.413 5.512 50 30 HKEARN N#CCCSc1ccccc1NC(=O)c1ccccc1SCc1cscn1 ZINC000095944764 568663032 /nfs/dbraw/zinc/66/30/32/568663032.db2.gz WPHJGHCTETXSJP-UHFFFAOYSA-N 0 0 411.577 5.693 50 30 HKEARN N#CCCSc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000095944784 526463613 /nfs/dbraw/zinc/46/36/13/526463613.db2.gz IRYRIKMJQHDFCN-QFIPXVFZSA-N 0 0 404.560 6.164 50 30 HKEARN N#CCCSc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000095944785 568663020 /nfs/dbraw/zinc/66/30/20/568663020.db2.gz IRYRIKMJQHDFCN-JOCHJYFZSA-N 0 0 404.560 6.164 50 30 HKEARN N#Cc1ncn(-c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)c1C#N ZINC000095945029 568663365 /nfs/dbraw/zinc/66/33/65/568663365.db2.gz PPDBWLCBOFPBSL-UHFFFAOYSA-N 0 0 410.487 5.016 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OC(F)F)C1=C(CCCC1=O)N2 ZINC000095950901 527553835 /nfs/dbraw/zinc/55/38/35/527553835.db2.gz HCOXYQWOPIAZMH-OAQYLSRUSA-N 0 0 421.447 5.347 50 30 HKEARN COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OC(C)C ZINC000095953454 568668342 /nfs/dbraw/zinc/66/83/42/568668342.db2.gz BOPOEJKNLGVQIZ-UHFFFAOYSA-N 0 0 404.919 5.394 50 30 HKEARN Cc1c(C(=O)Nc2ccccc2SCCC#N)sc2nc(C(C)(C)C)nc(C)c12 ZINC000095953493 568668363 /nfs/dbraw/zinc/66/83/63/568668363.db2.gz IXRCQOQWYHFMSZ-UHFFFAOYSA-N 0 0 424.595 5.864 50 30 HKEARN COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SCCC#N)o1 ZINC000095953562 568668268 /nfs/dbraw/zinc/66/82/68/568668268.db2.gz DQHBTCWMWMPHDL-UHFFFAOYSA-N 0 0 408.479 5.125 50 30 HKEARN N#CCCSc1ccccc1NC(=O)CCCc1ccc(Br)s1 ZINC000095953599 568668467 /nfs/dbraw/zinc/66/84/67/568668467.db2.gz NKDBAOISBRKCKE-UHFFFAOYSA-N 0 0 409.374 5.478 50 30 HKEARN CCSc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC#N)CCC#N)cc1 ZINC000095997171 568679150 /nfs/dbraw/zinc/67/91/50/568679150.db2.gz RRVHYXYTIQLKIC-UHFFFAOYSA-N 0 0 415.566 5.281 50 30 HKEARN CCCCCCCCCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000096019723 559089684 /nfs/dbraw/zinc/08/96/84/559089684.db2.gz TXKDZAOZHQOIBA-UHFFFAOYSA-N 0 0 422.639 5.236 50 30 HKEARN C/C=C/Cn1c(SCCCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000096019834 559089726 /nfs/dbraw/zinc/08/97/26/559089726.db2.gz PFIPSMPOLXJKNY-FNORWQNLSA-N 0 0 420.623 5.012 50 30 biogenic HKEARN CCCCCCCCCCCNc1cc(CCC)c(C#N)c2nc3ccccc3n21 ZINC000096021463 559089676 /nfs/dbraw/zinc/08/96/76/559089676.db2.gz UYCOHJUWIRRETH-UHFFFAOYSA-N 0 0 404.602 7.254 50 30 HKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCCCCCCCCC ZINC000096021513 519120341 /nfs/dbraw/zinc/12/03/41/519120341.db2.gz FAJNGBUSJYEWEJ-UHFFFAOYSA-N 0 0 416.613 7.339 50 30 HKEARN CCCCCCCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000096021538 559089687 /nfs/dbraw/zinc/08/96/87/559089687.db2.gz QQQHPLKMKLQOJU-UHFFFAOYSA-N 0 0 418.629 7.563 50 30 HKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCOCC ZINC000096021541 559089681 /nfs/dbraw/zinc/08/96/81/559089681.db2.gz IMVQYFATBGTTHE-UHFFFAOYSA-N 0 0 420.601 6.409 50 30 HKEARN CCCCCCCCCCCN1CCc2c1n1c3ccccc3nc1c(C#N)c2C ZINC000096021543 559089714 /nfs/dbraw/zinc/08/97/14/559089714.db2.gz SNMTVGARAHPBRP-UHFFFAOYSA-N 0 0 402.586 6.561 50 30 HKEARN CCCCCCCCCCCCS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096022249 559089678 /nfs/dbraw/zinc/08/96/78/559089678.db2.gz HTLYERXONXGOJB-UHFFFAOYSA-N 0 0 423.497 6.308 50 30 HKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000096024109 559089857 /nfs/dbraw/zinc/08/98/57/559089857.db2.gz SXWNDVMPYULZFG-HSZRJFAPSA-N 0 0 423.553 5.262 50 30 HKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000096035400 568687308 /nfs/dbraw/zinc/68/73/08/568687308.db2.gz LWVXTTVWXWYVEU-AQTBWJFISA-N 0 0 406.529 6.481 50 30 HKEARN CCOc1ccccc1/C=C\C(=O)c1c(C)nc2ccccc2c1-c1ccc(C)cc1 ZINC000096035403 568687305 /nfs/dbraw/zinc/68/73/05/568687305.db2.gz NSSRLUGKYAFVES-ZCXUNETKSA-N 0 0 407.513 6.813 50 30 HKEARN Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)/C=C\c2ccc3nccnc3c2)cc1 ZINC000096035404 568687223 /nfs/dbraw/zinc/68/72/23/568687223.db2.gz NUOFYJUBXKLPHV-UVTDQMKNSA-N 0 0 415.496 6.358 50 30 HKEARN COc1cc(/C=C\C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N ZINC000096133978 568702103 /nfs/dbraw/zinc/70/21/03/568702103.db2.gz XMYUGDGNVODJGU-ANVLDHPDSA-N 0 0 413.473 5.138 50 30 HKEARN COc1cc(/C=C\C(=O)O[C@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N ZINC000096133979 568702124 /nfs/dbraw/zinc/70/21/24/568702124.db2.gz XMYUGDGNVODJGU-NNRIVUTJSA-N 0 0 413.473 5.138 50 30 HKEARN Clc1ccc2oc(SCC#CCSc3nc4cc(Cl)ccc4o3)nc2c1 ZINC000096136966 568702257 /nfs/dbraw/zinc/70/22/57/568702257.db2.gz ZDIGBPOSGJJBMN-UHFFFAOYSA-N 0 0 421.330 6.164 50 30 HKEARN CC(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000096186653 559101154 /nfs/dbraw/zinc/10/11/54/559101154.db2.gz VJPIOFISKTUXDG-UHFFFAOYSA-N 0 0 410.554 6.296 50 30 HKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1 ZINC000096190137 568703271 /nfs/dbraw/zinc/70/32/71/568703271.db2.gz DSQQKMMDIXQMNZ-YPKPFQOOSA-N 0 0 405.457 5.276 50 30 HKEARN N#C[C@@]1(c2nc3ccccc3s2)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096191563 568703683 /nfs/dbraw/zinc/70/36/83/568703683.db2.gz CPSNRNMXEMIGEK-QHCPKHFHSA-N 0 0 415.905 5.306 50 30 HKEARN N#C[C@]1(c2nc3ccccc3s2)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096191564 568703576 /nfs/dbraw/zinc/70/35/76/568703576.db2.gz CPSNRNMXEMIGEK-HSZRJFAPSA-N 0 0 415.905 5.306 50 30 HKEARN CCC(=O)C1=C(C)NC(C)=C(C(=O)CC)C1c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000096191626 521069588 /nfs/dbraw/zinc/06/95/88/521069588.db2.gz DNBFOSYQLRVFRP-UHFFFAOYSA-N 0 0 416.521 5.132 50 30 HKEARN O[C@](C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 ZINC000096194491 568704023 /nfs/dbraw/zinc/70/40/23/568704023.db2.gz PXODUACRISTCKU-GDLZYMKVSA-N 0 0 409.573 5.770 50 30 HKEARN O[C@@](C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 ZINC000096194492 568704122 /nfs/dbraw/zinc/70/41/22/568704122.db2.gz PXODUACRISTCKU-LJAQVGFWSA-N 0 0 409.573 5.770 50 30 HKEARN CN1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C(F)(F)F)o3)sc2C1 ZINC000096247369 568709936 /nfs/dbraw/zinc/70/99/36/568709936.db2.gz QMHKKPRFMFVDDR-KBKYJPHKSA-N 0 0 415.440 5.637 50 30 HKEARN Cn1c2ccccc2c(-c2ccccc2)c(C(=O)/C=C\c2ccc3nccnc3c2)c1=O ZINC000096265915 568713983 /nfs/dbraw/zinc/71/39/83/568713983.db2.gz PNTZSQSIGKLROG-OWBHPGMISA-N 0 0 417.468 5.045 50 30 HKEARN Cn1c2ccccc2c(-c2ccccc2)c(C(=O)/C=C\c2cccc3cccnc23)c1=O ZINC000096265916 568713964 /nfs/dbraw/zinc/71/39/64/568713964.db2.gz LSBAXXYOQINPON-MSUUIHNZSA-N 0 0 416.480 5.650 50 30 HKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccccc1F ZINC000096265987 568713959 /nfs/dbraw/zinc/71/39/59/568713959.db2.gz QCBZCKCSNOQQFO-QINSGFPZSA-N 0 0 401.868 6.899 50 30 HKEARN Cc1ccc2nc(-c3ccc(OS(=O)(=O)c4ccccc4C#N)c(Cl)c3)oc2c1 ZINC000096279081 568717271 /nfs/dbraw/zinc/71/72/71/568717271.db2.gz MFGHSAFYIILRES-UHFFFAOYSA-N 0 0 424.865 5.096 50 30 HKEARN Cc1ccc(OS(=O)(=O)c2ccccc2C#N)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000096279110 568717167 /nfs/dbraw/zinc/71/71/67/568717167.db2.gz CNURSHGHVRDTCJ-UHFFFAOYSA-N 0 0 424.865 5.096 50 30 HKEARN Cc1ccc2nc(-c3ccc(Cl)cc3OS(=O)(=O)c3ccccc3C#N)oc2c1 ZINC000096279285 568717419 /nfs/dbraw/zinc/71/74/19/568717419.db2.gz XJPKQRBLIZYESE-UHFFFAOYSA-N 0 0 424.865 5.096 50 30 HKEARN Cc1cccc2oc(-c3ccc(Cl)cc3OS(=O)(=O)c3ccccc3C#N)nc21 ZINC000096279298 568717532 /nfs/dbraw/zinc/71/75/32/568717532.db2.gz PJPCIFXXKPYREJ-UHFFFAOYSA-N 0 0 424.865 5.096 50 30 HKEARN Cc1ccc2oc(-c3ccc(OS(=O)(=O)c4ccccc4C#N)c(Cl)c3)nc2c1 ZINC000096279529 568717520 /nfs/dbraw/zinc/71/75/20/568717520.db2.gz BMDUGVRDXNMIOD-UHFFFAOYSA-N 0 0 424.865 5.096 50 30 HKEARN C=CCNC(=O)c1csc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000096281526 568718760 /nfs/dbraw/zinc/71/87/60/568718760.db2.gz VQBDXSNAGAREDJ-UHFFFAOYSA-N 0 0 418.440 5.324 50 30 HKEARN COc1ccc([C@@]2(N3CCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000096286810 568719276 /nfs/dbraw/zinc/71/92/76/568719276.db2.gz RJOMLGVKBRGWHN-LJAQVGFWSA-N 0 0 421.540 5.862 50 30 HKEARN COc1ccc([C@]2(N3CCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000096286811 568719169 /nfs/dbraw/zinc/71/91/69/568719169.db2.gz RJOMLGVKBRGWHN-GDLZYMKVSA-N 0 0 421.540 5.862 50 30 HKEARN C=CCn1c(SCc2cccc(C(=O)NCC(C)C)c2)nnc1-c1ccc(C)cc1 ZINC000096290984 568720716 /nfs/dbraw/zinc/72/07/16/568720716.db2.gz QWTVFACZCUPNOA-UHFFFAOYSA-N 0 0 420.582 5.118 50 30 HKEARN C=CCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccc(C)cc1 ZINC000096291003 568720691 /nfs/dbraw/zinc/72/06/91/568720691.db2.gz GMOQAVGQJAZJKR-UHFFFAOYSA-N 0 0 420.582 5.118 50 30 HKEARN C=CCn1c(SCc2cccc(C(=O)N[C@H](C)CC)c2)nnc1-c1ccc(C)cc1 ZINC000096291008 568720707 /nfs/dbraw/zinc/72/07/07/568720707.db2.gz QEXGATZQXBWRNW-GOSISDBHSA-N 0 0 420.582 5.260 50 30 HKEARN C=CCn1c(SCc2cccc(C(=O)N[C@@H](C)CC)c2)nnc1-c1ccc(C)cc1 ZINC000096291009 568720669 /nfs/dbraw/zinc/72/06/69/568720669.db2.gz QEXGATZQXBWRNW-SFHVURJKSA-N 0 0 420.582 5.260 50 30 HKEARN C=CCN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000096299896 568723029 /nfs/dbraw/zinc/72/30/29/568723029.db2.gz ZONZNYYLUKWXTQ-UHFFFAOYSA-N 0 0 420.425 6.022 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000096305199 519477208 /nfs/dbraw/zinc/47/72/08/519477208.db2.gz MUWODVBIFVKXET-KHPPLWFESA-N 0 0 416.424 5.743 50 30 HKEARN COc1cc(C)ccc1C(=O)/C=C\c1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000096305251 568723438 /nfs/dbraw/zinc/72/34/38/568723438.db2.gz MDLWCTBPRFZONJ-BENRWUELSA-N 0 0 420.534 5.658 50 30 HKEARN N#Cc1cccc(/C=C2\CN(C3CCCCC3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 ZINC000096314577 568725459 /nfs/dbraw/zinc/72/54/59/568725459.db2.gz PGAHWBBCRMUAMG-KOJZRSEWSA-N 0 0 407.517 5.114 50 30 HKEARN N#Cc1cccc(/C=C2/CN(C3CCCCC3)C/C(=C/c3cccc(C#N)c3)C2=O)c1 ZINC000096314579 568725479 /nfs/dbraw/zinc/72/54/79/568725479.db2.gz PGAHWBBCRMUAMG-MQDDAKQZSA-N 0 0 407.517 5.114 50 30 HKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C\c1c(F)cccc1Cl ZINC000096315868 527156875 /nfs/dbraw/zinc/15/68/75/527156875.db2.gz PFKYWBQNQVWZKP-PFONDFGASA-N 0 0 401.868 6.899 50 30 HKEARN CCOc1ccccc1/C=C\C(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 ZINC000096315870 568725785 /nfs/dbraw/zinc/72/57/85/568725785.db2.gz UEHKICOEVGXWGY-ICFOKQHNSA-N 0 0 407.513 6.813 50 30 HKEARN CCOc1ccc(/C=C\C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000096315871 568725755 /nfs/dbraw/zinc/72/57/55/568725755.db2.gz BDYPMVBUVRMMCR-LGMDPLHJSA-N 0 0 407.513 6.813 50 30 HKEARN Cc1ccc2nc(C)c(C(=O)/C=C\c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 ZINC000096315872 568725626 /nfs/dbraw/zinc/72/56/26/568725626.db2.gz XKIWSQUQRXFJFZ-RAXLEYEMSA-N 0 0 415.496 6.358 50 30 HKEARN CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 ZINC000096316119 568725728 /nfs/dbraw/zinc/72/57/28/568725728.db2.gz AYYRDXJBSDULCB-JZJYNLBNSA-N 0 0 420.556 6.953 50 30 HKEARN C[C@H]([NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1)c1ccccc1 ZINC000096316592 559109677 /nfs/dbraw/zinc/10/96/77/559109677.db2.gz VBQFZLXDNSQZRE-GNYKCMPYSA-N 0 0 424.529 5.622 50 30 HKEARN C[C@@H]([NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1)c1ccccc1 ZINC000096316593 559109602 /nfs/dbraw/zinc/10/96/02/559109602.db2.gz VBQFZLXDNSQZRE-MOROIOLQSA-N 0 0 424.529 5.622 50 30 HKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCCCCCC1 ZINC000096318463 568727261 /nfs/dbraw/zinc/72/72/61/568727261.db2.gz GTBKFEPBGSGFEV-UHFFFAOYSA-N 0 0 401.963 5.088 50 30 HKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000096319766 568728316 /nfs/dbraw/zinc/72/83/16/568728316.db2.gz JJWKHLIAUCBBIR-OHYPFYFLSA-N 0 0 423.560 5.375 50 30 HKEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000096346033 568737697 /nfs/dbraw/zinc/73/76/97/568737697.db2.gz FFYTWMVGFRVTQF-OALUTQOASA-N 0 0 410.477 5.343 50 30 HKEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000096346035 568737645 /nfs/dbraw/zinc/73/76/45/568737645.db2.gz FFYTWMVGFRVTQF-MOPGFXCFSA-N 0 0 410.477 5.343 50 30 HKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000096346037 568737618 /nfs/dbraw/zinc/73/76/18/568737618.db2.gz FFYTWMVGFRVTQF-RBUKOAKNSA-N 0 0 410.477 5.343 50 30 HKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 ZINC000096346040 568737631 /nfs/dbraw/zinc/73/76/31/568737631.db2.gz FFYTWMVGFRVTQF-RTBURBONSA-N 0 0 410.477 5.343 50 30 HKEARN Cc1ccc(C(=O)Nc2sc(N=NCc3ccccc3)nc2-c2ccccc2)cc1 ZINC000096346602 568737863 /nfs/dbraw/zinc/73/78/63/568737863.db2.gz QPLLCMUTTJOWLD-XYGWBWBKSA-N 0 0 412.518 5.817 50 30 HKEARN COc1ccc(/C=C2/CC(C)C/C(=C/c3ccc(OC)cc3OC)C2=O)c(OC)c1 ZINC000096400485 523408169 /nfs/dbraw/zinc/40/81/69/523408169.db2.gz MZJFSNRLLRWBDW-YXZJEIOKSA-N 0 0 408.494 5.187 50 30 HKEARN CCOc1ccc(OCC)c(NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)c1 ZINC000096401216 568750172 /nfs/dbraw/zinc/75/01/72/568750172.db2.gz NGTMVVXZKIMYNU-RAXLEYEMSA-N 0 0 403.482 5.004 50 30 HKEARN COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1O ZINC000096401769 568750330 /nfs/dbraw/zinc/75/03/30/568750330.db2.gz MSZDLMFDGOGFOU-UQCOIBPSSA-N 0 0 401.178 5.078 50 30 HKEARN C=C(Br)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000096401826 568750361 /nfs/dbraw/zinc/75/03/61/568750361.db2.gz YOADOFQSEXLEEX-GZTJUZNOSA-N 0 0 417.303 5.211 50 30 HKEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C(\c2ccccc2)C(F)(F)F)cc1 ZINC000096402192 568750309 /nfs/dbraw/zinc/75/03/09/568750309.db2.gz KOOTYLWROOQJOQ-LICLKQGHSA-N 0 0 412.333 5.095 50 30 HKEARN O=C(/C=C\c1ccc2nccnc2c1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000096402197 568750296 /nfs/dbraw/zinc/75/02/96/568750296.db2.gz YPPHEJKRAMUTTI-QBFSEMIESA-N 0 0 403.441 5.034 50 30 HKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 ZINC000096402541 558942626 /nfs/dbraw/zinc/94/26/26/558942626.db2.gz GMFFRJVFKXVAEF-XFXZXTDPSA-N 0 0 417.468 5.343 50 30 HKEARN CC1=C(c2ccccc2)Oc2ccccc2/C1=C\C(=N\c1ccccc1)c1ccccc1 ZINC000096430097 560559644 /nfs/dbraw/zinc/55/96/44/560559644.db2.gz CWCPBIXVTKURAW-USUYBSHXSA-N 0 0 413.520 7.715 50 30 HKEARN Oc1ccc2cc(Br)ccc2c1/C=N/c1ccc(Br)cn1 ZINC000096430107 558948720 /nfs/dbraw/zinc/94/87/20/558948720.db2.gz ABAHBZYZGBHYJB-AWQFTUOYSA-N 0 0 406.077 5.216 50 30 HKEARN Cc1cc(-c2ccc(/N=C\c3ccccc3O)c(C)c2)ccc1/N=C/c1ccccc1O ZINC000096486885 526039808 /nfs/dbraw/zinc/03/98/08/526039808.db2.gz BEDLGXJEYNEBOO-QCOHSWCKSA-N 0 0 420.512 6.883 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000096544412 521515637 /nfs/dbraw/zinc/51/56/37/521515637.db2.gz VIMTWHUJXXKFTN-NMQOHBJASA-N 0 0 422.550 5.395 50 30 HKEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)OCC(Cl)(Cl)Cl)cc1C(C)C ZINC000096558684 558972112 /nfs/dbraw/zinc/97/21/12/558972112.db2.gz VRNPOHOYCLSKSF-UHFFFAOYSA-N 0 0 415.810 6.132 50 30 HKEARN C=C(C)CSc1nc(=O)n(Cc2ccccc2)c2sc3c(c21)CC(C)(C)OC3 ZINC000096562418 568760401 /nfs/dbraw/zinc/76/04/01/568760401.db2.gz XEDQBTRIISWSTP-UHFFFAOYSA-N 0 0 412.580 5.026 50 30 HKEARN C=CCC1(SCc2ccccc2)C(=O)OC2(C[C@H](C)CC[C@@H]2C(C)C)OC1=O ZINC000096564573 568760806 /nfs/dbraw/zinc/76/08/06/568760806.db2.gz BFQAJQUTJKYIDN-POEPRGHXSA-N 0 0 402.556 5.123 50 30 HKEARN C=CCC1(SCc2ccccc2)C(=O)OC2(C[C@@H](C)CC[C@@H]2C(C)C)OC1=O ZINC000096564575 568760774 /nfs/dbraw/zinc/76/07/74/568760774.db2.gz BFQAJQUTJKYIDN-SWIMNWDESA-N 0 0 402.556 5.123 50 30 HKEARN C=CCC1(SCc2ccccc2)C(=O)OC2(C[C@H](C)CC[C@H]2C(C)C)OC1=O ZINC000096564577 568760863 /nfs/dbraw/zinc/76/08/63/568760863.db2.gz BFQAJQUTJKYIDN-OMMZEQHOSA-N 0 0 402.556 5.123 50 30 HKEARN C=CCC1(SCc2ccccc2)C(=O)OC2(C[C@@H](C)CC[C@H]2C(C)C)OC1=O ZINC000096564579 568760792 /nfs/dbraw/zinc/76/07/92/568760792.db2.gz BFQAJQUTJKYIDN-YILSLVNCSA-N 0 0 402.556 5.123 50 30 HKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc(Br)cc2)c1C#N ZINC000096568822 568760724 /nfs/dbraw/zinc/76/07/24/568760724.db2.gz BSFVFZBJFDQPIZ-UHFFFAOYSA-N 0 0 415.234 5.018 50 30 HKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000096568917 568761014 /nfs/dbraw/zinc/76/10/14/568761014.db2.gz NHRVXFXRRONMJZ-UBFVSLLYSA-N 0 0 419.459 5.110 50 30 HKEARN CCn1ncc(/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 ZINC000096569892 569359147 /nfs/dbraw/zinc/35/91/47/569359147.db2.gz YBVXROOOLSXZHU-AYDOMQLQSA-N 0 0 408.586 5.098 50 30 biogenic HKEARN Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)c2nc(Cl)ccc2Cl)c1 ZINC000096576471 568761159 /nfs/dbraw/zinc/76/11/59/568761159.db2.gz IFZQNDJKEREWJC-UHFFFAOYSA-N 0 0 408.354 5.661 50 30 HKEARN O=C(C=C(CC(=O)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000096576482 568761330 /nfs/dbraw/zinc/76/13/30/568761330.db2.gz XSZUWZOPRPWYRK-HKWRFOASSA-N 0 0 405.291 5.988 50 30 HKEARN O=C1C=CC([N+](=O)[O-])=C/C1=C\C1=C2c3ccccc3N(Cc3ccccc3)C=C2CCC1 ZINC000096576546 568761380 /nfs/dbraw/zinc/76/13/80/568761380.db2.gz VPKHNPCONHOHSE-PXLXIMEGSA-N 0 0 422.484 5.754 50 30 HKEARN Cc1nnc(N=C(Nc2ccc(C)cc2)N2N=C(C)S[C@@H]2c2ccc(C)cc2)s1 ZINC000096576603 568761326 /nfs/dbraw/zinc/76/13/26/568761326.db2.gz PWXKJOPSQULAOD-LJQANCHMSA-N 0 0 422.583 5.644 50 30 HKEARN N#Cc1c(N)nc2nc(Nc3ccccc3)sc2c1-c1ccc(Br)cc1 ZINC000096581187 568762411 /nfs/dbraw/zinc/76/24/11/568762411.db2.gz JKWNUGVUZAQQSK-UHFFFAOYSA-N 0 0 422.311 5.318 50 30 HKEARN N#CCSc1nc(-c2ccccc2)cc(-c2ccccn2)c1C(=O)c1ccccc1 ZINC000096581271 568762428 /nfs/dbraw/zinc/76/24/28/568762428.db2.gz BMKUBACRNZIXLM-UHFFFAOYSA-N 0 0 407.498 5.657 50 30 HKEARN N#Cc1c(N)c(C#N)c(-c2cc3c(ccc4ccccc43)oc2=O)cc1-c1ccccc1 ZINC000096581854 568762640 /nfs/dbraw/zinc/76/26/40/568762640.db2.gz BPEVUZMJHXPSHT-UHFFFAOYSA-N 0 0 413.436 5.606 50 30 HKEARN CSc1ccccc1C1=c2cc(Cl)ccc2=N[C@@]1(C#N)c1ccccc1SC ZINC000096582270 568762671 /nfs/dbraw/zinc/76/26/71/568762671.db2.gz YQRKPBBIIVADRO-QHCPKHFHSA-N 0 0 420.990 5.035 50 30 HKEARN CSc1ccccc1C1=c2cc(Cl)ccc2=N[C@]1(C#N)c1ccccc1SC ZINC000096582272 568762688 /nfs/dbraw/zinc/76/26/88/568762688.db2.gz YQRKPBBIIVADRO-HSZRJFAPSA-N 0 0 420.990 5.035 50 30 HKEARN N#Cc1c(-c2ccccc2[N+](=O)[O-])cc(-c2ccccc2)nc1SCc1ccccc1 ZINC000096592359 568763262 /nfs/dbraw/zinc/76/32/62/568763262.db2.gz XSROXCNXUNFEDV-UHFFFAOYSA-N 0 0 423.497 6.488 50 30 HKEARN O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000096594036 568763518 /nfs/dbraw/zinc/76/35/18/568763518.db2.gz PXUWVGGCENWIAY-NJMAKWBESA-N 0 0 418.990 5.983 50 30 HKEARN Cc1ccc(Sc2nc(Cl)c(Cl)c(Sc3ccc(C)cc3)c2C#N)cc1 ZINC000096594042 568763453 /nfs/dbraw/zinc/76/34/53/568763453.db2.gz OFTNJCQJUCLKOH-UHFFFAOYSA-N 0 0 417.386 7.179 50 30 HKEARN CCOC(=O)[C@]1(C#N)C(/C=C\c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000096594046 568763529 /nfs/dbraw/zinc/76/35/29/568763529.db2.gz DWJUYFSZVXMKOE-DSYKIGEYSA-N 0 0 421.500 5.390 50 30 HKEARN CCOC(=O)[C@]1(C#N)C(/C=C\c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000096594048 521349216 /nfs/dbraw/zinc/34/92/16/521349216.db2.gz DWJUYFSZVXMKOE-DEZAKYELSA-N 0 0 421.500 5.390 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCSc1nnc(-c2ccccc2O)o1 ZINC000096594053 568763548 /nfs/dbraw/zinc/76/35/48/568763548.db2.gz AITCEGBMORWMNW-NRYAXDJKSA-N 0 0 412.599 6.723 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccccc2O)o1 ZINC000096594054 568763484 /nfs/dbraw/zinc/76/34/84/568763484.db2.gz AITCEGBMORWMNW-MFSJNOQSSA-N 0 0 412.599 6.723 50 30 HKEARN C[C@@H]1CC2=CCCC(C)(C)[C@@H]2C[C@H]1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000096594527 569363480 /nfs/dbraw/zinc/36/34/80/569363480.db2.gz NDSONPMOFYKBTC-CFVJEIBWSA-N 0 0 402.546 5.323 50 30 biogenic HKEARN CCCCSc1nc(C)cc(NC(=S)SNc2ccc(OCC)cc2)n1 ZINC000096602149 558981225 /nfs/dbraw/zinc/98/12/25/558981225.db2.gz ZXGGNFLRGXOGFD-UHFFFAOYSA-N 0 0 408.618 5.754 50 30 HKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccn1 ZINC000096602382 558981558 /nfs/dbraw/zinc/98/15/58/558981558.db2.gz PPTPQIWMMBATMI-UHFFFAOYSA-N 0 0 422.513 5.413 50 30 HKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@]1(C=C(C(C)(C)C)C(C(C)(C)C)=CC1=O)C2 ZINC000096602678 558981851 /nfs/dbraw/zinc/98/18/51/558981851.db2.gz VUFFCPUVTCOGDP-LJAQVGFWSA-N 0 0 422.653 7.483 50 30 HKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@]1(C=C(C(C)(C)C)C(C(C)(C)C)=CC1=O)C2 ZINC000096602679 558981746 /nfs/dbraw/zinc/98/17/46/558981746.db2.gz VUFFCPUVTCOGDP-GDLZYMKVSA-N 0 0 422.653 7.483 50 30 HKEARN COc1ccc(NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C)=O)cc1 ZINC000096663144 524450502 /nfs/dbraw/zinc/45/05/02/524450502.db2.gz DDNVBKPKJZYAKO-QRVIBDJDSA-N 0 0 422.912 5.367 50 30 HKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/S/C(=N\c2c(C)cccc2C)NC1=O ZINC000096663347 527546390 /nfs/dbraw/zinc/54/63/90/527546390.db2.gz WTLANZNRIOFIDH-LDADJPATSA-N 0 0 422.941 5.343 50 30 HKEARN CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000096759310 520489585 /nfs/dbraw/zinc/48/95/85/520489585.db2.gz DKIPHCKBLVVQST-SDQBBNPISA-N 0 0 406.309 5.137 50 30 HKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765572 558986371 /nfs/dbraw/zinc/98/63/71/558986371.db2.gz PSHRKMJEEGRGSW-TWGQIWQCSA-N 0 0 411.860 5.472 50 30 HKEARN O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765573 558986355 /nfs/dbraw/zinc/98/63/55/558986355.db2.gz TVUIDYJSZQOZLL-TWGQIWQCSA-N 0 0 411.860 5.472 50 30 HKEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc2cc(Br)ccc2o1 ZINC000096765897 522819473 /nfs/dbraw/zinc/81/94/73/522819473.db2.gz XLRMYZYPNUGUNC-XQRVVYSFSA-N 0 0 417.255 5.117 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Cl)cc2)cs1)c1ccc(C)c(C)c1 ZINC000096766273 519474451 /nfs/dbraw/zinc/47/44/51/519474451.db2.gz VNPWKMILPIQJST-LUAWRHEFSA-N 0 0 410.926 5.994 50 30 HKEARN O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc2ccccc2c1 ZINC000096766531 527659687 /nfs/dbraw/zinc/65/96/87/527659687.db2.gz BQBMWEWFUDDCHC-PFONDFGASA-N 0 0 415.496 6.043 50 30 HKEARN COc1cc(Br)c(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1O ZINC000096766814 522018382 /nfs/dbraw/zinc/01/83/82/522018382.db2.gz PMEGVSHOTQCHTN-DJWKRKHSSA-N 0 0 402.071 5.366 50 30 HKEARN CC[C@@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Br)cc3)cc2)=N1 ZINC000096767546 523519917 /nfs/dbraw/zinc/51/99/17/523519917.db2.gz STTCHIFAKPRKIP-OMLDUKLJSA-N 0 0 415.356 5.448 50 30 HKEARN CC[C@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Br)cc3)cc2)=N1 ZINC000096767547 523354423 /nfs/dbraw/zinc/35/44/23/523354423.db2.gz STTCHIFAKPRKIP-AVHYGJPMSA-N 0 0 415.356 5.448 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cc(C)sc2C)cs1)c1cccc(C)c1C ZINC000096809636 519473690 /nfs/dbraw/zinc/47/36/90/519473690.db2.gz METKHKVLMGYAGF-KTKRTIGZSA-N 0 0 410.564 6.019 50 30 HKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc(O)ccc2Br)S1 ZINC000096835980 558992859 /nfs/dbraw/zinc/99/28/59/558992859.db2.gz VXWRWBCRMOLSGA-OVCLIPMQSA-N 0 0 423.719 5.008 50 30 HKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2nccnc2c1 ZINC000096837318 558992942 /nfs/dbraw/zinc/99/29/42/558992942.db2.gz KUIAQSVOCUKTQC-OWBHPGMISA-N 0 0 401.469 6.050 50 30 HKEARN Cc1ccccc1/C=C\C(=O)c1c(=O)n(C)c2ccc(Cl)cc2c1-c1ccccc1 ZINC000096839938 525039374 /nfs/dbraw/zinc/03/93/74/525039374.db2.gz QKLUXANVMZVNKG-QINSGFPZSA-N 0 0 413.904 6.063 50 30 HKEARN C#CCOc1c(Cl)cc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1OC ZINC000096920096 518314696 /nfs/dbraw/zinc/31/46/96/518314696.db2.gz MKAREXYQKNUNMB-RIYZIHGNSA-N 0 0 407.278 5.209 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Cl)c2)cs1)c1cccc(C)c1C ZINC000096924468 519475776 /nfs/dbraw/zinc/47/57/76/519475776.db2.gz KMAIVFTUYYTSBZ-KHPPLWFESA-N 0 0 410.926 5.994 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Cl)c2)cs1)c1c(C)cccc1C ZINC000096924471 519477230 /nfs/dbraw/zinc/47/72/30/519477230.db2.gz MQYZMTOUKUKRJK-KHPPLWFESA-N 0 0 410.926 5.994 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)c(C)c2)cs1)c1cccc(C)c1C ZINC000096924472 519473913 /nfs/dbraw/zinc/47/39/13/519473913.db2.gz CIUWMVOPXBXYKS-QXMHVHEDSA-N 0 0 404.535 5.957 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc3c(c2)OCO3)cs1)c1cccc(C)c1C ZINC000096924480 519475980 /nfs/dbraw/zinc/47/59/80/519475980.db2.gz DYSRWPSLQMMXHM-HJWRWDBZSA-N 0 0 420.490 5.069 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)cc2)cs1)c1cccc(Cl)c1 ZINC000096924485 519477217 /nfs/dbraw/zinc/47/72/17/519477217.db2.gz IQYUIMUEFXUWLT-KTKRTIGZSA-N 0 0 400.862 5.516 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2cc3ccccc3o2)cs1)c1cccc(C)c1C ZINC000096924497 519474514 /nfs/dbraw/zinc/47/45/14/519474514.db2.gz RFCXCFMAIJTCMB-QXMHVHEDSA-N 0 0 416.502 6.087 50 30 HKEARN CC(=O)N(c1nc(/C=C2/COc3ccccc3C2=O)cs1)c1c(C)cccc1C ZINC000096924516 519473408 /nfs/dbraw/zinc/47/34/08/519473408.db2.gz HNIUGEMOCWSBCH-BOPFTXTBSA-N 0 0 404.491 5.103 50 30 HKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccc(C)cc2C)cs1)c1ccc(F)cc1F ZINC000096924537 519474846 /nfs/dbraw/zinc/47/48/46/519474846.db2.gz GWJLZDOFHUWDFW-TWGQIWQCSA-N 0 0 412.461 5.619 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(Cl)c3Cl)c12 ZINC000096925840 519267555 /nfs/dbraw/zinc/26/75/55/519267555.db2.gz VAOVTYIFVCDOBJ-QXMHVHEDSA-N 0 0 410.304 5.986 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OC)c(OCC)c3)c12 ZINC000096925851 519267904 /nfs/dbraw/zinc/26/79/04/519267904.db2.gz GNZUTBFYQGUMNQ-QBFSEMIESA-N 0 0 415.493 5.087 50 30 HKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(N4CCCCC4)cc3)c12 ZINC000096925854 519267574 /nfs/dbraw/zinc/26/75/74/519267574.db2.gz QSRUDKFFOMHRQS-SSZFMOIBSA-N 0 0 424.548 5.670 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000096936316 521698212 /nfs/dbraw/zinc/69/82/12/521698212.db2.gz XHJFJIRLJHBZHC-WFXBMRRRSA-N 0 0 423.582 5.555 50 30 HKEARN C#CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000096999858 518260703 /nfs/dbraw/zinc/26/07/03/518260703.db2.gz YNVLMLBYGLJWAI-SFHVURJKSA-N 0 0 423.944 5.022 50 30 HKEARN O=C(/C=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000097324117 557270053 /nfs/dbraw/zinc/27/00/53/557270053.db2.gz SEXLPVQYJXAECC-YHYXMXQVSA-N 0 0 403.286 6.170 50 30 HKEARN COc1ccc(/C=C\C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(OC)c1 ZINC000097359962 523435502 /nfs/dbraw/zinc/43/55/02/523435502.db2.gz QTLHOZNVOHASAB-UVTDQMKNSA-N 0 0 401.462 5.161 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000097464883 559118828 /nfs/dbraw/zinc/11/88/28/559118828.db2.gz HQSKGVKEVMMSIX-BRBBDLJVSA-N 0 0 410.539 5.416 50 30 HKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1 ZINC000097464915 519014914 /nfs/dbraw/zinc/01/49/14/519014914.db2.gz IECHIKMUNXGIAR-RDHMHZQQSA-N 0 0 408.523 5.274 50 30 HKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(Cl)c3)C(=O)N2CC)cc1 ZINC000097464916 520859120 /nfs/dbraw/zinc/85/91/20/520859120.db2.gz LARFQDQWNVVASF-XMFNYGHISA-N 0 0 416.930 5.371 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccccc2OCC)S/C1=N/c1ccc(OCC)cc1 ZINC000097464924 559118941 /nfs/dbraw/zinc/11/89/41/559118941.db2.gz WDFHJOKERSDOQN-RDHMHZQQSA-N 0 0 410.539 5.498 50 30 HKEARN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CCC)C2=O)cc1 ZINC000097464938 559118965 /nfs/dbraw/zinc/11/89/65/559118965.db2.gz VJCJTHBYXOVJEX-WFXBMRRRSA-N 0 0 420.534 5.111 50 30 HKEARN O=C(C1=C(c2ccccc2)S/C(=C/C(=S)c2ccccc2)S1)c1ccccc1 ZINC000097466794 557809063 /nfs/dbraw/zinc/80/90/63/557809063.db2.gz OYZZILZSKFMTOX-PGMHBOJBSA-N 0 0 416.592 6.978 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N/c1ccc(OC)cc1 ZINC000097466967 121585977 /nfs/dbraw/zinc/58/59/77/121585977.db2.gz VXHDHSDFSBFWNP-AHHCQKMLSA-N 0 0 421.316 5.065 50 30 HKEARN COc1ccc(C=CC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000097472363 557811919 /nfs/dbraw/zinc/81/19/19/557811919.db2.gz MIEXRHUVPYRIOG-VKAVYKQESA-N 0 0 408.457 5.421 50 30 HKEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1=O ZINC000097474788 557809353 /nfs/dbraw/zinc/80/93/53/557809353.db2.gz KDIIQZAHDUSVDR-CLTKARDFSA-N 0 0 413.098 5.054 50 30 HKEARN CNc1ccc(Br)cc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O ZINC000097474789 557809343 /nfs/dbraw/zinc/80/93/43/557809343.db2.gz UAPOBKMRCWWKEA-VURMDHGXSA-N 0 0 413.098 5.054 50 30 HKEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1=O ZINC000097474790 557809396 /nfs/dbraw/zinc/80/93/96/557809396.db2.gz QWIZQLJVJHRAKI-CLTKARDFSA-N 0 0 413.098 5.054 50 30 HKEARN O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1cc(Br)ccc(=O)c1O ZINC000097474830 557809349 /nfs/dbraw/zinc/80/93/49/557809349.db2.gz DJYNNRXECCFUOY-LUAWRHEFSA-N 0 0 423.262 5.203 50 30 HKEARN COc1ccc(/C=C\C(=O)c2c(OC)ccc3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000097475199 557809630 /nfs/dbraw/zinc/80/96/30/557809630.db2.gz TYGLLAWYVFJZNC-UVTDQMKNSA-N 0 0 412.441 5.373 50 30 HKEARN Cc1cccc(C)c1N=C1S[C@@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097601953 557835237 /nfs/dbraw/zinc/83/52/37/557835237.db2.gz GTEMFJHQNRZEFW-AWEZNQCLSA-N 0 0 407.461 5.979 50 30 HKEARN Cc1cccc(C)c1N=C1S[C@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097601954 557835216 /nfs/dbraw/zinc/83/52/16/557835216.db2.gz GTEMFJHQNRZEFW-CQSZACIVSA-N 0 0 407.461 5.979 50 30 HKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/Cc1ccccc1 ZINC000097636211 520556953 /nfs/dbraw/zinc/55/69/53/520556953.db2.gz QGXOAGMWQOLCDK-ZCGWOIPMSA-N 0 0 409.580 5.329 50 30 HKEARN N#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc(Cl)c1Cl ZINC000097656541 526473820 /nfs/dbraw/zinc/47/38/20/526473820.db2.gz HNGSVPPYOBZGDE-SQFISAMPSA-N 0 0 423.299 6.099 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000097939919 559124478 /nfs/dbraw/zinc/12/44/78/559124478.db2.gz RSPLBLJRSNSPMZ-KRWDZBQOSA-N 0 0 401.934 6.016 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000097939920 559124484 /nfs/dbraw/zinc/12/44/84/559124484.db2.gz RSPLBLJRSNSPMZ-QGZVFWFLSA-N 0 0 401.934 6.016 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000097940014 520061491 /nfs/dbraw/zinc/06/14/91/520061491.db2.gz ICKGEVXARDSLSW-FQEVSTJZSA-N 0 0 423.597 6.661 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000097940015 559124504 /nfs/dbraw/zinc/12/45/04/559124504.db2.gz ICKGEVXARDSLSW-HXUWFJFHSA-N 0 0 423.597 6.661 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000097940022 520062309 /nfs/dbraw/zinc/06/23/09/520062309.db2.gz JCBNXNWCSNWKLE-INIZCTEOSA-N 0 0 401.934 6.016 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000097940023 559124462 /nfs/dbraw/zinc/12/44/62/559124462.db2.gz JCBNXNWCSNWKLE-MRXNPFEDSA-N 0 0 401.934 6.016 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000097940026 559124507 /nfs/dbraw/zinc/12/45/07/559124507.db2.gz LAJIGWHPWBXEFP-IBGZPJMESA-N 0 0 411.542 5.762 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 ZINC000097940027 559124472 /nfs/dbraw/zinc/12/44/72/559124472.db2.gz LAJIGWHPWBXEFP-LJQANCHMSA-N 0 0 411.542 5.762 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000097940028 559124514 /nfs/dbraw/zinc/12/45/14/559124514.db2.gz ZWWFJNXPQZXJPO-IBGZPJMESA-N 0 0 410.558 5.429 50 30 HKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000097940029 520061914 /nfs/dbraw/zinc/06/19/14/520061914.db2.gz ZWWFJNXPQZXJPO-LJQANCHMSA-N 0 0 410.558 5.429 50 30 HKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1c2ccccc2nc1C(F)(F)F ZINC000097940052 558944668 /nfs/dbraw/zinc/94/46/68/558944668.db2.gz GXJBDFOYKQKJLZ-UHFFFAOYSA-N 0 0 402.191 5.620 50 30 HKEARN CCCCCCCCCCCCCCCCSc1nc(N)nc(SC)c1C#N ZINC000097940197 520003490 /nfs/dbraw/zinc/00/34/90/520003490.db2.gz UIQGLXJLLCLDRQ-UHFFFAOYSA-N 0 0 422.708 7.226 50 30 HKEARN CCCCCCCC(=O)NCc1cccc(-c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000097940610 558945405 /nfs/dbraw/zinc/94/54/05/558945405.db2.gz FQAVWVVROPXOGM-UHFFFAOYSA-N 0 0 405.542 5.729 50 30 biogenic HKEARN CCCCCCCC(=O)NCc1cccc(-c2nc(-c3ccc(OC)cc3)c[nH]2)c1 ZINC000097940611 558945308 /nfs/dbraw/zinc/94/53/08/558945308.db2.gz OZGSYRWDFNFBAE-UHFFFAOYSA-N 0 0 405.542 5.729 50 30 biogenic HKEARN CCCCCCCC(=O)NCc1ccc(-c2nc(-c3ccc(OC)cc3)c[nH]2)cc1 ZINC000097940612 519963774 /nfs/dbraw/zinc/96/37/74/519963774.db2.gz KABFWCFWRAWUQJ-UHFFFAOYSA-N 0 0 405.542 5.729 50 30 biogenic HKEARN CCCCCCCC(=O)NCc1ccc(-c2nc(-c3cccc(OC)c3)c[nH]2)cc1 ZINC000097940613 558945364 /nfs/dbraw/zinc/94/53/64/558945364.db2.gz SRKUFJXKSBSWTR-UHFFFAOYSA-N 0 0 405.542 5.729 50 30 biogenic HKEARN O=C(NCC(F)(F)C(F)(F)F)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000097940676 527547129 /nfs/dbraw/zinc/54/71/29/527547129.db2.gz NJXWZHVKECMFHH-UHFFFAOYSA-N 0 0 403.294 5.361 50 30 HKEARN CCCCCCCc1ccc(C(=O)Cn2c3ccccc3nc2NCCCO)cc1 ZINC000097944154 558950956 /nfs/dbraw/zinc/95/09/56/558950956.db2.gz QXWQFZOLGZTQFP-UHFFFAOYSA-N 0 0 407.558 5.226 50 30 HKEARN CCCCCCCCC(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000097944402 559124624 /nfs/dbraw/zinc/12/46/24/559124624.db2.gz ZIFIOFQLUCEHMB-UHFFFAOYSA-N 0 0 401.395 6.323 50 30 HKEARN CCCCCCCCCCC(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCC3 ZINC000097944406 558950970 /nfs/dbraw/zinc/95/09/70/558950970.db2.gz XUZNLSABYQJXRW-UHFFFAOYSA-N 0 0 407.605 5.210 50 30 HKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000097944407 558951136 /nfs/dbraw/zinc/95/11/36/558951136.db2.gz HHUONVRRVABZBQ-QGZVFWFLSA-N 0 0 407.620 6.517 50 30 HKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000097944408 519977559 /nfs/dbraw/zinc/97/75/59/519977559.db2.gz HHUONVRRVABZBQ-KRWDZBQOSA-N 0 0 407.620 6.517 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC ZINC000097944411 558951185 /nfs/dbraw/zinc/95/11/85/558951185.db2.gz CLFJLVOINPNNSR-UHFFFAOYSA-N 0 0 410.580 5.192 50 30 HKEARN CCCCCCCCCCCCCCCc1nn2c(nc3ccccc3c2=O)s1 ZINC000097944414 558951226 /nfs/dbraw/zinc/95/12/26/558951226.db2.gz TZIPIJRIQVGMGB-UHFFFAOYSA-N 0 0 413.631 6.938 50 30 HKEARN CCCCCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000097944571 558951205 /nfs/dbraw/zinc/95/12/05/558951205.db2.gz DRAIQRUFWMHZDE-UHFFFAOYSA-N 0 0 416.609 7.471 50 30 HKEARN CCCCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000097944577 558951229 /nfs/dbraw/zinc/95/12/29/558951229.db2.gz SKYIPKAAYSNJEV-UHFFFAOYSA-N 0 0 418.581 6.781 50 30 HKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(C)=O)c1)C2=O ZINC000097944593 559124607 /nfs/dbraw/zinc/12/46/07/559124607.db2.gz VHFBCTHYYUCAGG-UHFFFAOYSA-N 0 0 421.493 5.207 50 30 HKEARN CCCCCCCCCCCC(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCC3 ZINC000097944594 558951218 /nfs/dbraw/zinc/95/12/18/558951218.db2.gz AVYBFQBUNSDIDU-UHFFFAOYSA-N 0 0 421.632 5.600 50 30 HKEARN O=C1/C(=C/c2ccco2)CC/C1=C\c1ccc(/C=C2\CC/C(=C\c3ccco3)C2=O)cc1 ZINC000097945975 526942872 /nfs/dbraw/zinc/94/28/72/526942872.db2.gz CXGAAZIOOQRPJU-WAAZFXEXSA-N 0 0 422.480 6.532 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1 ZINC000097946015 558970901 /nfs/dbraw/zinc/97/09/01/558970901.db2.gz KXWPCZJTLIEMJP-PYCFMQQDSA-N 0 0 408.567 6.318 50 30 HKEARN CCCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000097946884 558983529 /nfs/dbraw/zinc/98/35/29/558983529.db2.gz NANPELXZNDBANY-HMMYKYKNSA-N 0 0 417.571 6.647 50 30 HKEARN CCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000097946885 558983514 /nfs/dbraw/zinc/98/35/14/558983514.db2.gz LZLLOGHXJMSYDX-XMHGGMMESA-N 0 0 403.544 6.257 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000097949409 559124843 /nfs/dbraw/zinc/12/48/43/559124843.db2.gz MBGMGVISROGRGY-UHFFFAOYSA-N 0 0 418.622 7.586 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)NCCOC(=O)Nc1cccnc1 ZINC000097949440 558983847 /nfs/dbraw/zinc/98/38/47/558983847.db2.gz GTYONWQCTQNPNZ-UHFFFAOYSA-N 0 0 419.610 6.228 50 30 HKEARN CCCCCCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000097949451 558983833 /nfs/dbraw/zinc/98/38/33/558983833.db2.gz DJCWEZIDRLZMCS-UHFFFAOYSA-N 0 0 404.683 7.346 50 30 HKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000097949510 558983882 /nfs/dbraw/zinc/98/38/82/558983882.db2.gz FEYLNGIEAXXUNZ-UHFFFAOYSA-N 0 0 422.639 5.236 50 30 HKEARN CCCCCCCCCCCCn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 ZINC000097949640 558983858 /nfs/dbraw/zinc/98/38/58/558983858.db2.gz KUPPMJRKUHCTEN-UHFFFAOYSA-N 0 0 424.589 6.264 50 30 HKEARN C=CCc1ccc(-c2ccc(C3CCC(CCCCCCCCC)CC3)cc2)nc1 ZINC000097949646 558984005 /nfs/dbraw/zinc/98/40/05/558984005.db2.gz NSFHTRGZDMAWSC-UHFFFAOYSA-N 0 0 403.654 8.892 50 30 HKEARN CCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCC)cn2)cc1 ZINC000097949652 558984028 /nfs/dbraw/zinc/98/40/28/558984028.db2.gz MMXMTUYHAUNSCJ-UHFFFAOYSA-N 0 0 421.713 9.725 50 30 HKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NC(=O)CC ZINC000097949654 571306749 /nfs/dbraw/zinc/30/67/49/571306749.db2.gz WBFZHAWCAAOLHN-UHFFFAOYSA-N 0 0 413.650 7.866 50 30 HKEARN CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000097949664 558983987 /nfs/dbraw/zinc/98/39/87/558983987.db2.gz FJDBUKHLSGQCLX-UHFFFAOYSA-N 0 0 409.658 8.781 50 30 HKEARN CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000097949670 558983980 /nfs/dbraw/zinc/98/39/80/558983980.db2.gz RCDDCRRSYYYQKV-UHFFFAOYSA-N 0 0 423.685 9.171 50 30 HKEARN CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1F ZINC000097949686 558983967 /nfs/dbraw/zinc/98/39/67/558983967.db2.gz KGFCOUVEOVMWSR-UHFFFAOYSA-N 0 0 413.621 8.530 50 30 HKEARN CCCCCCCCCCCCCCCCCCn1c2ccncc2[nH]c1=S ZINC000097949720 558984016 /nfs/dbraw/zinc/98/40/16/558984016.db2.gz IVZWTHQNCFYFTL-UHFFFAOYSA-N 0 0 403.680 8.355 50 30 HKEARN CCCCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCCCC ZINC000097950360 558863242 /nfs/dbraw/zinc/86/32/42/558863242.db2.gz LKNFAVXXKZUEEX-UHFFFAOYSA-N 0 0 407.602 6.847 50 30 HKEARN CCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000097950427 558863201 /nfs/dbraw/zinc/86/32/01/558863201.db2.gz UAHIETKDBUFNFR-UHFFFAOYSA-N 0 0 413.656 7.133 50 30 HKEARN CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000097950501 558863238 /nfs/dbraw/zinc/86/32/38/558863238.db2.gz OBUBMTOVEOHXRR-UHFFFAOYSA-N 0 0 413.656 7.304 50 30 HKEARN CCCCCCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097950536 559124839 /nfs/dbraw/zinc/12/48/39/559124839.db2.gz CYTHEGGBHKWVKW-UHFFFAOYSA-N 0 0 401.576 5.396 50 30 HKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097950538 559124818 /nfs/dbraw/zinc/12/48/18/559124818.db2.gz VWRXIEBUEOVHBW-UHFFFAOYSA-N 0 0 415.603 5.786 50 30 HKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000097950576 559124827 /nfs/dbraw/zinc/12/48/27/559124827.db2.gz JYWUHAZQZQGGAA-UHFFFAOYSA-N 0 0 412.570 7.214 50 30 HKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950699 559124841 /nfs/dbraw/zinc/12/48/41/559124841.db2.gz VFHBQOUCBINCMR-OAHLLOKOSA-N 0 0 424.825 5.146 50 30 HKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950700 559124826 /nfs/dbraw/zinc/12/48/26/559124826.db2.gz VFHBQOUCBINCMR-HNNXBMFYSA-N 0 0 424.825 5.146 50 30 HKEARN CCCCCCCCCC(=O)N[C@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097950786 559124838 /nfs/dbraw/zinc/12/48/38/559124838.db2.gz BMWNYLQSEQNGQZ-SFHVURJKSA-N 0 0 423.812 6.060 50 30 HKEARN CCCCCCCCCC(=O)N[C@@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097950787 559124829 /nfs/dbraw/zinc/12/48/29/559124829.db2.gz BMWNYLQSEQNGQZ-GOSISDBHSA-N 0 0 423.812 6.060 50 30 HKEARN CCCCCCCCCC(=O)N[C@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000097950788 559124811 /nfs/dbraw/zinc/12/48/11/559124811.db2.gz WLJGWLJHTDGDHX-SFHVURJKSA-N 0 0 423.812 6.060 50 30 HKEARN CCCCCCCCCC(=O)N[C@@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000097950789 559124825 /nfs/dbraw/zinc/12/48/25/559124825.db2.gz WLJGWLJHTDGDHX-GOSISDBHSA-N 0 0 423.812 6.060 50 30 HKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000097950852 559124821 /nfs/dbraw/zinc/12/48/21/559124821.db2.gz CZFGGHAGYUYNFO-QFIPXVFZSA-N 0 0 405.579 5.294 50 30 HKEARN CCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC ZINC000097950853 559124842 /nfs/dbraw/zinc/12/48/42/559124842.db2.gz CZFGGHAGYUYNFO-JOCHJYFZSA-N 0 0 405.579 5.294 50 30 HKEARN CCCCCCCCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000097950937 559124910 /nfs/dbraw/zinc/12/49/10/559124910.db2.gz UMGQMEWBCNZEEU-UHFFFAOYSA-N 0 0 406.375 5.240 50 30 HKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCC)cc2)cc1 ZINC000097950963 558863281 /nfs/dbraw/zinc/86/32/81/558863281.db2.gz GBYSKQJGGZSUMH-UHFFFAOYSA-N 0 0 424.581 7.408 50 30 HKEARN CCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951061 558863316 /nfs/dbraw/zinc/86/33/16/558863316.db2.gz SDGAFFTYPKSIFD-UHFFFAOYSA-N 0 0 401.601 6.153 50 30 HKEARN CCCCCCCCCn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097951181 558863658 /nfs/dbraw/zinc/86/36/58/558863658.db2.gz FKLQENQQNILAKI-UHFFFAOYSA-N 0 0 413.587 5.608 50 30 HKEARN CCCCCCCCCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951205 558863606 /nfs/dbraw/zinc/86/36/06/558863606.db2.gz KKQIEAQQAHCKMT-UHFFFAOYSA-N 0 0 413.587 6.220 50 30 HKEARN CCCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951238 558863307 /nfs/dbraw/zinc/86/33/07/558863307.db2.gz QMORFTBYWYJEHW-UHFFFAOYSA-N 0 0 415.628 6.543 50 30 HKEARN CCCCCCCSc1ncnc2c3c4c(c(CCCC)nc3sc21)CCC4 ZINC000097951487 558863305 /nfs/dbraw/zinc/86/33/05/558863305.db2.gz FHADHGFDJWPLHI-UHFFFAOYSA-N 0 0 413.656 7.133 50 30 HKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000097951489 558863217 /nfs/dbraw/zinc/86/32/17/558863217.db2.gz HYNLFTLTJPFYBL-UHFFFAOYSA-N 0 0 404.580 6.264 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000097951594 559124887 /nfs/dbraw/zinc/12/48/87/559124887.db2.gz HGKIOVDXNVKZEW-UHFFFAOYSA-N 0 0 409.530 6.856 50 30 HKEARN CCCCCCCCCCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000097951597 558863310 /nfs/dbraw/zinc/86/33/10/558863310.db2.gz YMYYCJNHEISAHP-UHFFFAOYSA-N 0 0 418.647 7.353 50 30 HKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000097951685 558863284 /nfs/dbraw/zinc/86/32/84/558863284.db2.gz BVTPPGSNRNOROB-UHFFFAOYSA-N 0 0 408.999 6.909 50 30 HKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000097951691 558863234 /nfs/dbraw/zinc/86/32/34/558863234.db2.gz IVFSVQZLUPZUCD-UHFFFAOYSA-N 0 0 408.999 6.909 50 30 HKEARN CCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000097951703 558863191 /nfs/dbraw/zinc/86/31/91/558863191.db2.gz UVZBYHWAPHBVCR-UHFFFAOYSA-N 0 0 417.619 5.026 50 30 HKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2[nH]c1=S ZINC000097951848 558863601 /nfs/dbraw/zinc/86/36/01/558863601.db2.gz KHDDHGCKJHOEKC-UHFFFAOYSA-N 0 0 402.692 8.960 50 30 HKEARN CCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000097951874 558863627 /nfs/dbraw/zinc/86/36/27/558863627.db2.gz SQGXXQLPOUADEN-UHFFFAOYSA-N 0 0 420.641 8.054 50 30 HKEARN CCCCCCCSc1ncnc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000097951996 558863552 /nfs/dbraw/zinc/86/35/52/558863552.db2.gz UCHWRRWVEAHRTD-UHFFFAOYSA-N 0 0 413.656 6.989 50 30 HKEARN C=CCCCCCCCCc1nc(SCCCCCCCCCCCC)n[nH]1 ZINC000097952015 558863675 /nfs/dbraw/zinc/86/36/75/558863675.db2.gz NXPMHWSSWAPJML-UHFFFAOYSA-N 0 0 407.712 8.277 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 ZINC000097952480 558863928 /nfs/dbraw/zinc/86/39/28/558863928.db2.gz KEYTYYUNRLFJCY-UHFFFAOYSA-N 0 0 407.562 5.200 50 30 HKEARN CCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000097952498 559124870 /nfs/dbraw/zinc/12/48/70/559124870.db2.gz CXCZWTSCUBHRMD-UHFFFAOYSA-N 0 0 407.554 5.737 50 30 HKEARN CCCCCCCCCNc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097952583 558865055 /nfs/dbraw/zinc/86/50/55/558865055.db2.gz KFKXSGRXTMGKPU-UHFFFAOYSA-N 0 0 412.603 6.253 50 30 HKEARN C=CCc1cccc(CNc2nc3ccccc3n2CCCCCCCCC)c1O ZINC000097952615 558865076 /nfs/dbraw/zinc/86/50/76/558865076.db2.gz QDEUKZPVWPHDLJ-UHFFFAOYSA-N 0 0 405.586 6.833 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc21 ZINC000097952652 558865089 /nfs/dbraw/zinc/86/50/89/558865089.db2.gz VYDQOMWDUCKNFD-UHFFFAOYSA-N 0 0 410.562 5.874 50 30 HKEARN CCCCCCCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 ZINC000097952657 558865296 /nfs/dbraw/zinc/86/52/96/558865296.db2.gz UIAYEXDMYIIFGM-UHFFFAOYSA-N 0 0 410.562 5.874 50 30 HKEARN CCCCCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000097952666 558865263 /nfs/dbraw/zinc/86/52/63/558865263.db2.gz RPAZTXSOGORQSM-UHFFFAOYSA-N 0 0 408.546 5.627 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000097952918 558864903 /nfs/dbraw/zinc/86/49/03/558864903.db2.gz OXMQEWFMYODGHO-UHFFFAOYSA-N 0 0 408.546 5.799 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 ZINC000097952920 558864914 /nfs/dbraw/zinc/86/49/14/558864914.db2.gz DPGWCGPFSQLZBA-KRWDZBQOSA-N 0 0 410.562 5.730 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 ZINC000097952921 558864993 /nfs/dbraw/zinc/86/49/93/558864993.db2.gz DPGWCGPFSQLZBA-QGZVFWFLSA-N 0 0 410.562 5.730 50 30 HKEARN CCCCCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000097952950 558864925 /nfs/dbraw/zinc/86/49/25/558864925.db2.gz FSSKLBBBACXJFG-UHFFFAOYSA-N 0 0 401.598 7.967 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 ZINC000097952972 558864990 /nfs/dbraw/zinc/86/49/90/558864990.db2.gz UDVFOZKXFUSWBE-UHFFFAOYSA-N 0 0 424.589 6.264 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(CCCCCCC)c2nc3ccccc3nc21 ZINC000097953002 558864980 /nfs/dbraw/zinc/86/49/80/558864980.db2.gz GTHAPXBNNMJTEJ-UHFFFAOYSA-N 0 0 424.589 6.264 50 30 HKEARN CCCCCCCNC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc21 ZINC000097953020 558865000 /nfs/dbraw/zinc/86/50/00/558865000.db2.gz YPNRMFGXCLPOLE-UHFFFAOYSA-N 0 0 409.578 5.447 50 30 HKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000097953059 558864909 /nfs/dbraw/zinc/86/49/09/558864909.db2.gz FWCVSGJAESNMAY-UHFFFAOYSA-N 0 0 415.541 5.165 50 30 HKEARN CCCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000097953094 558864882 /nfs/dbraw/zinc/86/48/82/558864882.db2.gz PGJPWVISHUFCPW-UHFFFAOYSA-N 0 0 416.525 5.592 50 30 HKEARN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000097953118 558865150 /nfs/dbraw/zinc/86/51/50/558865150.db2.gz QNDWKEZNHNXNOO-ZCNNSNEGSA-N 0 0 422.573 5.233 50 30 HKEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000097953120 558865116 /nfs/dbraw/zinc/86/51/16/558865116.db2.gz QNDWKEZNHNXNOO-SLFFLAALSA-N 0 0 422.573 5.233 50 30 HKEARN CCCCCCCCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 ZINC000097953138 558865074 /nfs/dbraw/zinc/86/50/74/558865074.db2.gz PDBCEABWXFNVJG-UHFFFAOYSA-N 0 0 424.589 6.120 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953157 558865085 /nfs/dbraw/zinc/86/50/85/558865085.db2.gz GXFNRYUZEMCXCH-JOCHJYFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953158 558865139 /nfs/dbraw/zinc/86/51/39/558865139.db2.gz GXFNRYUZEMCXCH-QFIPXVFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097953952 558865480 /nfs/dbraw/zinc/86/54/80/558865480.db2.gz QFOQVJMPWIYDKF-HXUWFJFHSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097953953 558865445 /nfs/dbraw/zinc/86/54/45/558865445.db2.gz QFOQVJMPWIYDKF-FQEVSTJZSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097953971 558865658 /nfs/dbraw/zinc/86/56/58/558865658.db2.gz CRWGGUSROAWWOL-JOCHJYFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097953972 558865585 /nfs/dbraw/zinc/86/55/85/558865585.db2.gz CRWGGUSROAWWOL-QFIPXVFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCn1c(C)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097954104 558865543 /nfs/dbraw/zinc/86/55/43/558865543.db2.gz IAGAARGNRCQNFX-UHFFFAOYSA-N 0 0 413.587 5.526 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954426 558865562 /nfs/dbraw/zinc/86/55/62/558865562.db2.gz RYYXDGLYWFTLLQ-HXUWFJFHSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954427 558865654 /nfs/dbraw/zinc/86/56/54/558865654.db2.gz RYYXDGLYWFTLLQ-FQEVSTJZSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954522 558865636 /nfs/dbraw/zinc/86/56/36/558865636.db2.gz QIEJISVFGQZZRG-LJQANCHMSA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954523 558865646 /nfs/dbraw/zinc/86/56/46/558865646.db2.gz QIEJISVFGQZZRG-IBGZPJMESA-N 0 0 405.542 5.536 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954699 558865776 /nfs/dbraw/zinc/86/57/76/558865776.db2.gz FKDSWBSCNANQIY-JOCHJYFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954700 558865879 /nfs/dbraw/zinc/86/58/79/558865879.db2.gz FKDSWBSCNANQIY-QFIPXVFZSA-N 0 0 417.597 6.616 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954711 558865768 /nfs/dbraw/zinc/86/57/68/558865768.db2.gz GFUMYSFOZPNMHD-HXUWFJFHSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954712 558865881 /nfs/dbraw/zinc/86/58/81/558865881.db2.gz GFUMYSFOZPNMHD-FQEVSTJZSA-N 0 0 419.569 5.926 50 30 HKEARN CCCCCCCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21 ZINC000097954870 558865764 /nfs/dbraw/zinc/86/57/64/558865764.db2.gz DGBXBFXCZHRVTG-UHFFFAOYSA-N 0 0 406.530 5.685 50 30 HKEARN CCCCCCCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000097954977 520030736 /nfs/dbraw/zinc/03/07/36/520030736.db2.gz JCDLMWCHAQFWLU-UHFFFAOYSA-N 0 0 406.530 5.822 50 30 HKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CC)cc2)cc1 ZINC000097955830 558869086 /nfs/dbraw/zinc/86/90/86/558869086.db2.gz BLQLIERJKVIYLH-UHFFFAOYSA-N 0 0 410.554 7.018 50 30 HKEARN CCCCCCCCCCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000097957269 559125192 /nfs/dbraw/zinc/12/51/92/559125192.db2.gz FAGYODAJNLXMRF-JOCHJYFZSA-N 0 0 422.635 5.547 50 30 HKEARN CCCCCCCCCCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000097957272 559125141 /nfs/dbraw/zinc/12/51/41/559125141.db2.gz FAGYODAJNLXMRF-QFIPXVFZSA-N 0 0 422.635 5.547 50 30 HKEARN Fc1c(F)c(F)c(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(F)c1F ZINC000097958036 558986824 /nfs/dbraw/zinc/98/68/24/558986824.db2.gz RSFSKGADGCACJG-OAHLVZFQSA-N 0 0 420.259 6.107 50 30 HKEARN COc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccc3ccccc3n2)s1 ZINC000097958245 558987143 /nfs/dbraw/zinc/98/71/43/558987143.db2.gz CCXFEMAKZRGOOS-BRJLIKDPSA-N 0 0 413.424 6.136 50 30 HKEARN Oc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000097958246 558987236 /nfs/dbraw/zinc/98/72/36/558987236.db2.gz LHAXIEPKPSCIBM-ZTKZIYFRSA-N 0 0 415.496 6.663 50 30 HKEARN Clc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 ZINC000097958250 558987208 /nfs/dbraw/zinc/98/72/08/558987208.db2.gz AEABERVJGNAGCB-FSJBWODESA-N 0 0 411.686 6.661 50 30 HKEARN CCCCCCCCCCOc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000097958647 558987164 /nfs/dbraw/zinc/98/71/64/558987164.db2.gz IESDQMKXYVWTCV-OCOZRVBESA-N 0 0 417.575 6.269 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)cc1 ZINC000097959610 558992452 /nfs/dbraw/zinc/99/24/52/558992452.db2.gz YHJVWTOASMESJY-JWGURIENSA-N 0 0 424.566 6.023 50 30 HKEARN CCCCCCCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000097960072 558993159 /nfs/dbraw/zinc/99/31/59/558993159.db2.gz SZHGYHOKOJZYLS-UHFFFAOYSA-N 0 0 416.433 7.190 50 30 HKEARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 ZINC000097960669 558992833 /nfs/dbraw/zinc/99/28/33/558992833.db2.gz CAVFRIFJIAYEGR-HKOYGPOVSA-N 0 0 401.293 5.665 50 30 HKEARN Fc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(F)c4)cc3)cc2)c1 ZINC000097960671 558992811 /nfs/dbraw/zinc/99/28/11/558992811.db2.gz FKERFLIOYHGHTI-YAGSLNJISA-N 0 0 412.439 7.258 50 30 HKEARN CCOc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(OCC)cc4)cccc23)cc1 ZINC000097960672 558992846 /nfs/dbraw/zinc/99/28/46/558992846.db2.gz OTTIRVSANNGZRN-CZYCKNNWSA-N 0 0 422.528 7.138 50 30 HKEARN CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)cc1 ZINC000097961259 558993328 /nfs/dbraw/zinc/99/33/28/558993328.db2.gz GTPJWQZJAGFLRR-UHFFFAOYSA-N 0 0 424.673 8.566 50 30 HKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1 ZINC000097961729 558993323 /nfs/dbraw/zinc/99/33/23/558993323.db2.gz JHGVJRIBVWUOGT-LTGZKZEYSA-N 0 0 409.555 5.903 50 30 HKEARN CCCCCCCc1ccc(/C=C/c2nc(C3CCC(CCCC)CC3)no2)cc1 ZINC000097961891 558993168 /nfs/dbraw/zinc/99/31/68/558993168.db2.gz RURZUSHFOAYNIH-DYTRJAOYSA-N 0 0 408.630 8.217 50 30 HKEARN CCCCCCCCCCCCN1C(=O)C(=CNc2ccccc2)SC1=S ZINC000097961958 558993119 /nfs/dbraw/zinc/99/31/19/558993119.db2.gz VCBGYOWYNLUMEW-CZIZESTLSA-N 0 0 404.645 6.721 50 30 HKEARN Fc1ccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 ZINC000097962803 526313978 /nfs/dbraw/zinc/31/39/78/526313978.db2.gz WGCBJKGGMQHWKL-FEDGQQDLSA-N 0 0 420.259 6.107 50 30 HKEARN CCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2O)cc1 ZINC000097962844 558993281 /nfs/dbraw/zinc/99/32/81/558993281.db2.gz MEBWRGNAAAGZSF-XAYXJRQQSA-N 0 0 409.614 8.005 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1 ZINC000097966738 558994436 /nfs/dbraw/zinc/99/44/36/558994436.db2.gz LEWZTYILICXSRW-NKFKGCMQSA-N 0 0 422.594 6.626 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc1 ZINC000097969109 558994845 /nfs/dbraw/zinc/99/48/45/558994845.db2.gz CJXJMWAMZGVMJJ-NKFKGCMQSA-N 0 0 422.594 6.626 50 30 HKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc1 ZINC000097969557 558994861 /nfs/dbraw/zinc/99/48/61/558994861.db2.gz PTGLGWAHRZKCGJ-XLNRJJMWSA-N 0 0 424.566 6.214 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1 ZINC000097970996 558997897 /nfs/dbraw/zinc/99/78/97/558997897.db2.gz VMLHBQPDBIJSJV-NKFKGCMQSA-N 0 0 422.594 6.626 50 30 HKEARN C=C(C)Cn1c(SCCCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097976946 559125483 /nfs/dbraw/zinc/12/54/83/559125483.db2.gz MZHAHCPVKAJXOK-UHFFFAOYSA-N 0 0 420.623 5.012 50 30 HKEARN CCCCCCCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976975 559125472 /nfs/dbraw/zinc/12/54/72/559125472.db2.gz NUMKGHCMODIMIT-MRXNPFEDSA-N 0 0 401.850 6.108 50 30 HKEARN CCCCCCCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976976 559125513 /nfs/dbraw/zinc/12/55/13/559125513.db2.gz NUMKGHCMODIMIT-INIZCTEOSA-N 0 0 401.850 6.108 50 30 HKEARN CCCCCCCCCCCCOc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1 ZINC000097982689 569050099 /nfs/dbraw/zinc/05/00/99/569050099.db2.gz XTLBOPVCYJJIFM-YYDJUVGSSA-N 0 0 424.629 7.142 50 30 HKEARN CCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC000097983543 559005043 /nfs/dbraw/zinc/00/50/43/559005043.db2.gz KJISQDPXFXDOSZ-OAQYLSRUSA-N 0 0 423.538 5.018 50 30 HKEARN CCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC000097983544 559005058 /nfs/dbraw/zinc/00/50/58/559005058.db2.gz KJISQDPXFXDOSZ-NRFANRHFSA-N 0 0 423.538 5.018 50 30 HKEARN CCCCCCCCCCCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000097985321 559008638 /nfs/dbraw/zinc/00/86/38/559008638.db2.gz ZYEYBOFFVKKXEY-UHFFFAOYSA-N 0 0 408.586 7.251 50 30 HKEARN CCCCCCCCCCCCCCCCN1c2cccc3cccc(c23)C1=S ZINC000097993335 559011243 /nfs/dbraw/zinc/01/12/43/559011243.db2.gz RDJXWOUPDVPSPC-UHFFFAOYSA-N 0 0 409.683 8.817 50 30 HKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000097995855 559011746 /nfs/dbraw/zinc/01/17/46/559011746.db2.gz KEVDCUYVZLNMNA-UHFFFAOYSA-N 0 0 423.380 7.732 50 30 HKEARN CCCCCCCCCCOc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 ZINC000097995856 559011766 /nfs/dbraw/zinc/01/17/66/559011766.db2.gz NDMVYXYYSWPGJD-UHFFFAOYSA-N 0 0 416.646 7.968 50 30 HKEARN CCCCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 ZINC000097996995 520020996 /nfs/dbraw/zinc/02/09/96/520020996.db2.gz CZVGOAPQSLSDNN-UHFFFAOYSA-N 0 0 424.673 8.566 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 ZINC000097997720 559011892 /nfs/dbraw/zinc/01/18/92/559011892.db2.gz TVBKAKKWPNSVMH-CLCOLTQESA-N 0 0 423.528 6.690 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 ZINC000097997725 559011883 /nfs/dbraw/zinc/01/18/83/559011883.db2.gz HROALGLGKJQXAW-CLCOLTQESA-N 0 0 423.528 6.690 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 ZINC000097997726 559011919 /nfs/dbraw/zinc/01/19/19/559011919.db2.gz LMSFEBARBZOCGQ-CLCOLTQESA-N 0 0 423.528 6.690 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 ZINC000097997732 559011933 /nfs/dbraw/zinc/01/19/33/559011933.db2.gz GYBULVXFLUTGMO-QQTULTPQSA-N 0 0 419.565 6.859 50 30 HKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 ZINC000097997754 520021166 /nfs/dbraw/zinc/02/11/66/520021166.db2.gz CMUZYXXMBADCHL-UHFFFAOYSA-N 0 0 421.537 6.565 50 30 HKEARN CCCCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(SCC)s2)cc1 ZINC000097997769 559011879 /nfs/dbraw/zinc/01/18/79/559011879.db2.gz KBJKFZIPWSZZRV-NTCAYCPXSA-N 0 0 419.616 6.041 50 30 HKEARN CCCCCCCCCCOC(=O)c1ccc(-c2ccc(CCCCC)cn2)cc1 ZINC000097997808 559012024 /nfs/dbraw/zinc/01/20/24/559012024.db2.gz ZFCJQHFAPWHMSU-UHFFFAOYSA-N 0 0 409.614 7.779 50 30 HKEARN CCCCCCCCCOC(=O)c1ccc(NC(=O)CC(=O)c2ccccc2)cc1 ZINC000097997853 520030069 /nfs/dbraw/zinc/03/00/69/520030069.db2.gz VOXMDYKEKNAZPB-UHFFFAOYSA-N 0 0 409.526 5.806 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)OC(C)C)cc2)cc1 ZINC000097997858 559011985 /nfs/dbraw/zinc/01/19/85/559011985.db2.gz AAFJHIVBXSDPAQ-NRFANRHFSA-N 0 0 424.581 6.754 50 30 HKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)OC(C)C)cc2)cc1 ZINC000097997859 559012021 /nfs/dbraw/zinc/01/20/21/559012021.db2.gz AAFJHIVBXSDPAQ-OAQYLSRUSA-N 0 0 424.581 6.754 50 30 HKEARN CCCCCCCCCc1cnc(-c2ccc(OCCCCCCCC)cc2)nc1 ZINC000097997879 569133807 /nfs/dbraw/zinc/13/38/07/569133807.db2.gz FMCGFINLOXSJPV-UHFFFAOYSA-N 0 0 410.646 8.176 50 30 HKEARN CCCCCCCOc1ccc(COC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 ZINC000097997891 559012014 /nfs/dbraw/zinc/01/20/14/559012014.db2.gz RQVKXRRUFOKNPB-UHFFFAOYSA-N 0 0 413.514 5.353 50 30 HKEARN CCCCCCCOc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000097997893 559011987 /nfs/dbraw/zinc/01/19/87/559011987.db2.gz ZPMDMYYJYLHMNU-PGMHBOJBSA-N 0 0 408.454 5.289 50 30 HKEARN CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000097997895 559012010 /nfs/dbraw/zinc/01/20/10/559012010.db2.gz LDHWBJYPBRBQNO-NKFKGCMQSA-N 0 0 406.526 5.446 50 30 HKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H](CCCC)C3)cc2)cc1 ZINC000097997914 520062643 /nfs/dbraw/zinc/06/26/43/520062643.db2.gz FBPFTUJHJKOPCH-WNCULLNHSA-N 0 0 420.637 8.492 50 30 HKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CCCC)C3)cc2)cc1 ZINC000097997915 559012008 /nfs/dbraw/zinc/01/20/08/559012008.db2.gz FBPFTUJHJKOPCH-HOFKKMOUSA-N 0 0 420.637 8.492 50 30 HKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H](CCCC)C3)cc2)cc1 ZINC000097997916 559011994 /nfs/dbraw/zinc/01/19/94/559011994.db2.gz FBPFTUJHJKOPCH-YIXXDRMTSA-N 0 0 420.637 8.492 50 30 HKEARN CCCCCCCOc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H](CCCC)C3)cc2)cc1 ZINC000097997917 559011986 /nfs/dbraw/zinc/01/19/86/559011986.db2.gz FBPFTUJHJKOPCH-KCWPFWIISA-N 0 0 420.637 8.492 50 30 HKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3ccccc3F)OC2=O)cc1 ZINC000097997928 520043454 /nfs/dbraw/zinc/04/34/54/520043454.db2.gz SWGUNNMIGDBOQT-XLNRJJMWSA-N 0 0 410.489 5.822 50 30 HKEARN Fc1nc(F)c(Oc2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2F)c(F)c1F ZINC000097997938 559011997 /nfs/dbraw/zinc/01/19/97/559011997.db2.gz SDJVLGJOCIVWRC-UHFFFAOYSA-N 0 0 419.149 5.557 50 30 HKEARN CCCCCCCCc1ccc(C(=O)Nc2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000097998393 560758820 /nfs/dbraw/zinc/75/88/20/560758820.db2.gz PZWKCLSCSXYUQK-UHFFFAOYSA-N 0 0 411.929 6.602 50 30 HKEARN CCCCCCCCOc1ccc(OC(=O)C2CCC(CCCCCC)CC2)cc1 ZINC000097998403 559126032 /nfs/dbraw/zinc/12/60/32/559126032.db2.gz WMRONTUGFKXXIX-UHFFFAOYSA-N 0 0 416.646 8.108 50 30 HKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCC)cc2)cc1 ZINC000097998410 559126046 /nfs/dbraw/zinc/12/60/46/559126046.db2.gz NZUOOQPMLNOOJL-UHFFFAOYSA-N 0 0 412.570 7.214 50 30 biogenic HKEARN CCCCCCCCCc1ccc(-c2ccc3c(n2)CC[C@H](CCCCC)C3)cc1 ZINC000097998432 559012031 /nfs/dbraw/zinc/01/20/31/559012031.db2.gz GOSLTXGMFYCUBG-VWLOTQADSA-N 0 0 405.670 8.727 50 30 HKEARN CCCCCCCCCc1ccc(-c2ccc3c(n2)CC[C@@H](CCCCC)C3)cc1 ZINC000097998433 559012005 /nfs/dbraw/zinc/01/20/05/559012005.db2.gz GOSLTXGMFYCUBG-RUZDIDTESA-N 0 0 405.670 8.727 50 30 HKEARN CCCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000097998499 559011918 /nfs/dbraw/zinc/01/19/18/559011918.db2.gz XOSCLTFUTUCSTL-UHFFFAOYSA-N 0 0 416.525 5.673 50 30 HKEARN CCCCCCCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000097998507 559012016 /nfs/dbraw/zinc/01/20/16/559012016.db2.gz HQJNPCPWNQIBPD-UHFFFAOYSA-N 0 0 420.513 5.325 50 30 HKEARN CCCCCCCCOC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc21 ZINC000097998510 520039272 /nfs/dbraw/zinc/03/92/72/520039272.db2.gz HFATVMJUBYQHGC-UHFFFAOYSA-N 0 0 424.589 6.264 50 30 HKEARN CCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc21 ZINC000097998513 559011941 /nfs/dbraw/zinc/01/19/41/559011941.db2.gz MEUVZOWMYHMWKO-UHFFFAOYSA-N 0 0 410.562 5.874 50 30 HKEARN CCCCCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 ZINC000097998514 559011898 /nfs/dbraw/zinc/01/18/98/559011898.db2.gz NTIMXBJOHRMFTI-UHFFFAOYSA-N 0 0 410.562 5.730 50 30 HKEARN CCCCCCCOc1ccc(-c2noc(-c3ccc(OCCCC)cc3)n2)cc1 ZINC000098000410 559015900 /nfs/dbraw/zinc/01/59/00/559015900.db2.gz MHJYRBGQUKBYDX-UHFFFAOYSA-N 0 0 408.542 6.932 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000098001207 559016427 /nfs/dbraw/zinc/01/64/27/559016427.db2.gz QHTHAJRMUDAHQS-UHFFFAOYSA-N 0 0 416.565 7.171 50 30 biogenic HKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000098001275 559016452 /nfs/dbraw/zinc/01/64/52/559016452.db2.gz ATCVOUHOYSWSCR-UHFFFAOYSA-N 0 0 400.485 5.681 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000098001353 559016442 /nfs/dbraw/zinc/01/64/42/559016442.db2.gz FBDVUYQVSZTYLO-UHFFFAOYSA-N 0 0 400.950 6.672 50 30 biogenic HKEARN CCCCCCCCC[C@@H](CC)OC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000098001371 520029854 /nfs/dbraw/zinc/02/98/54/520029854.db2.gz YNGUYZBYUUZRMU-JOCHJYFZSA-N 0 0 409.570 7.015 50 30 HKEARN CCCCCCCCC[C@H](CC)OC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000098001372 520031990 /nfs/dbraw/zinc/03/19/90/520031990.db2.gz YNGUYZBYUUZRMU-QFIPXVFZSA-N 0 0 409.570 7.015 50 30 HKEARN CCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 ZINC000098001406 559016404 /nfs/dbraw/zinc/01/64/04/559016404.db2.gz SYFFKDASVXWWGK-UHFFFAOYSA-N 0 0 416.650 7.246 50 30 biogenic HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000098001408 559016412 /nfs/dbraw/zinc/01/64/12/559016412.db2.gz VHPAAAUKSYVFOL-UHFFFAOYSA-N 0 0 408.542 6.221 50 30 biogenic HKEARN CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccco1 ZINC000098001436 519997264 /nfs/dbraw/zinc/99/72/64/519997264.db2.gz GMUCJGSIBLEANX-UHFFFAOYSA-N 0 0 423.707 8.004 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCCCc2ccccc2)cc1 ZINC000098001476 559016393 /nfs/dbraw/zinc/01/63/93/559016393.db2.gz IQEXHOXXVJYQGM-UHFFFAOYSA-N 0 0 424.629 7.351 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000098001525 559016450 /nfs/dbraw/zinc/01/64/50/559016450.db2.gz LPQJGZUCZPVKNS-UHFFFAOYSA-N 0 0 400.950 6.672 50 30 biogenic HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000098001527 559016429 /nfs/dbraw/zinc/01/64/29/559016429.db2.gz QWJPCSQWLNMURX-UHFFFAOYSA-N 0 0 410.558 6.417 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000098001529 519977810 /nfs/dbraw/zinc/97/78/10/519977810.db2.gz CSUUPXIBZUXGET-UHFFFAOYSA-N 0 0 411.502 5.926 50 30 biogenic HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000098001530 519977036 /nfs/dbraw/zinc/97/70/36/519977036.db2.gz TXTWJMBXMNMSBO-UHFFFAOYSA-N 0 0 400.950 6.672 50 30 biogenic HKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1 ZINC000098001615 559016386 /nfs/dbraw/zinc/01/63/86/559016386.db2.gz YGGHZTWWVJKFIT-UHFFFAOYSA-N 0 0 421.754 9.257 50 30 HKEARN CCCCCCCCCCCCCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000098002667 519998746 /nfs/dbraw/zinc/99/87/46/519998746.db2.gz RFEJQYCJRXDATF-UHFFFAOYSA-N 0 0 416.562 6.672 50 30 HKEARN CCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000098003628 559016542 /nfs/dbraw/zinc/01/65/42/559016542.db2.gz SIBUBLABMJANOI-UHFFFAOYSA-N 0 0 400.544 5.977 50 30 HKEARN CCCCCCCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000098005212 559126040 /nfs/dbraw/zinc/12/60/40/559126040.db2.gz XAYMWAUPVBUNNN-UHFFFAOYSA-N 0 0 409.860 5.998 50 30 HKEARN CCCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl ZINC000098006133 559017162 /nfs/dbraw/zinc/01/71/62/559017162.db2.gz XIYCOKANPDUQOG-UHFFFAOYSA-N 0 0 422.462 8.088 50 30 HKEARN CC(C)(C)C1=CC(=O)C(P(=O)(Oc2ccccc2)Oc2ccccc2)C(=O)C1=O ZINC000098006308 559017151 /nfs/dbraw/zinc/01/71/51/559017151.db2.gz JKOHGQJUYPBERO-UHFFFAOYSA-N 0 0 412.378 5.231 50 30 HKEARN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000098006775 559126051 /nfs/dbraw/zinc/12/60/51/559126051.db2.gz DKJKPCUJOWXVNL-UHFFFAOYSA-N 0 0 413.470 5.374 50 30 HKEARN CCCCCCCOC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000098007292 559126047 /nfs/dbraw/zinc/12/60/47/559126047.db2.gz PLRFIUKTBYCEML-UHFFFAOYSA-N 0 0 411.586 6.359 50 30 HKEARN CCCCCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2CC)CC1 ZINC000098021292 559021938 /nfs/dbraw/zinc/02/19/38/559021938.db2.gz OFIUEDCMVWEQOY-UHFFFAOYSA-N 0 0 422.617 5.332 50 30 HKEARN CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000098021307 559021942 /nfs/dbraw/zinc/02/19/42/559021942.db2.gz WINSTADZNYIQSN-RUZDIDTESA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000098021308 559021898 /nfs/dbraw/zinc/02/18/98/559021898.db2.gz WINSTADZNYIQSN-VWLOTQADSA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCC(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1 ZINC000098021339 519965105 /nfs/dbraw/zinc/96/51/05/519965105.db2.gz MLNKSGBYJVIDEH-UHFFFAOYSA-N 0 0 423.582 6.861 50 30 HKEARN CCCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(OC)c2)s1 ZINC000098021477 559021911 /nfs/dbraw/zinc/02/19/11/559021911.db2.gz XQIHKOBMFGQEGL-UHFFFAOYSA-N 0 0 421.588 5.211 50 30 HKEARN CCCCCCCC(=O)Nc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1 ZINC000098021478 559021913 /nfs/dbraw/zinc/02/19/13/559021913.db2.gz BLVCRVWVOCTFTD-UHFFFAOYSA-N 0 0 413.515 5.090 50 30 HKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000098021504 559021961 /nfs/dbraw/zinc/02/19/61/559021961.db2.gz UJPCURITMMHZAJ-RUZDIDTESA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000098021505 559021901 /nfs/dbraw/zinc/02/19/01/559021901.db2.gz UJPCURITMMHZAJ-VWLOTQADSA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCC(=O)Nc1nnc(SCc2ccccc2C(F)(F)F)s1 ZINC000098021508 559021895 /nfs/dbraw/zinc/02/18/95/559021895.db2.gz XKPBHWSQLCRTDM-UHFFFAOYSA-N 0 0 417.522 6.148 50 30 HKEARN CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000098021582 559021933 /nfs/dbraw/zinc/02/19/33/559021933.db2.gz LFUIBTDRXFWPCR-UHFFFAOYSA-N 0 0 422.617 5.002 50 30 HKEARN CCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2CC)c1 ZINC000098022878 519967207 /nfs/dbraw/zinc/96/72/07/519967207.db2.gz BHRCVLVIYFJLDG-RUZDIDTESA-N 0 0 424.610 6.327 50 30 HKEARN CCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2CC)c1 ZINC000098022879 519965354 /nfs/dbraw/zinc/96/53/54/519965354.db2.gz BHRCVLVIYFJLDG-VWLOTQADSA-N 0 0 424.610 6.327 50 30 HKEARN CCCCCCCC(=O)Nc1ccc(-c2csc(Nc3cccc(OC)c3)n2)cc1 ZINC000098022880 559021632 /nfs/dbraw/zinc/02/16/32/559021632.db2.gz LJRQPXWYENHADI-UHFFFAOYSA-N 0 0 423.582 6.861 50 30 HKEARN CCCCCCCC(=O)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 ZINC000098022887 559021626 /nfs/dbraw/zinc/02/16/26/559021626.db2.gz IXIHXCDGBCIKPI-UHFFFAOYSA-N 0 0 418.415 6.436 50 30 HKEARN CCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000098022894 559021620 /nfs/dbraw/zinc/02/16/20/559021620.db2.gz QWLOMDXGYPLPMN-RUZDIDTESA-N 0 0 424.610 6.327 50 30 HKEARN CCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2CC)cc1 ZINC000098022895 519966869 /nfs/dbraw/zinc/96/68/69/519966869.db2.gz QWLOMDXGYPLPMN-VWLOTQADSA-N 0 0 424.610 6.327 50 30 HKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000098022901 559021637 /nfs/dbraw/zinc/02/16/37/559021637.db2.gz JYWINBYXEWZACT-RUZDIDTESA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000098022902 559021609 /nfs/dbraw/zinc/02/16/09/559021609.db2.gz JYWINBYXEWZACT-VWLOTQADSA-N 0 0 424.610 6.463 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000098044616 559031962 /nfs/dbraw/zinc/03/19/62/559031962.db2.gz BMNFLJHHFCAYFY-UHFFFAOYSA-N 0 0 417.634 7.293 50 30 biogenic HKEARN CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 ZINC000098044767 559031931 /nfs/dbraw/zinc/03/19/31/559031931.db2.gz IWZAFMARMJZJDW-UHFFFAOYSA-N 0 0 410.646 8.176 50 30 HKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCCCC)cc3)n2)cc1 ZINC000098045005 559031951 /nfs/dbraw/zinc/03/19/51/559031951.db2.gz ZRXHZJKZIYPKIQ-UHFFFAOYSA-N 0 0 418.625 8.429 50 30 HKEARN CCCCCCCNC(=O)CCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000098045218 559031956 /nfs/dbraw/zinc/03/19/56/559031956.db2.gz MWDRURCHUGVBBR-UHFFFAOYSA-N 0 0 407.558 5.620 50 30 HKEARN CCCCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000098045626 559032025 /nfs/dbraw/zinc/03/20/25/559032025.db2.gz HFGWDSTWBLEELP-UHFFFAOYSA-N 0 0 407.598 6.509 50 30 HKEARN CCCCCCCc1ccc(-c2nnc(C3CCC(c4ccccc4)CC3)o2)cc1 ZINC000098045628 520069245 /nfs/dbraw/zinc/06/92/45/520069245.db2.gz BAYFCIGQPGXYJT-UHFFFAOYSA-N 0 0 402.582 7.691 50 30 HKEARN CCCCCCCc1ccc(-c2nnc(C3CCC(CCCCCC)CC3)o2)cc1 ZINC000098045629 559032076 /nfs/dbraw/zinc/03/20/76/559032076.db2.gz ZMGNFGKRFOQEIF-UHFFFAOYSA-N 0 0 410.646 8.494 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000098048082 519992593 /nfs/dbraw/zinc/99/25/93/519992593.db2.gz DDJRIUSXAVXHLW-UHFFFAOYSA-N 0 0 404.595 7.795 50 30 HKEARN CCCCCCCSC1=Nc2sc3c(c2CN1Cc1ccccc1)CCCC3 ZINC000098048244 520066942 /nfs/dbraw/zinc/06/69/42/520066942.db2.gz OJUGWZQXJHDTLW-UHFFFAOYSA-N 0 0 412.668 7.334 50 30 HKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098048299 559126226 /nfs/dbraw/zinc/12/62/26/559126226.db2.gz GTDQFHVHQXDDMM-UHFFFAOYSA-N 0 0 408.586 6.508 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000098048303 559032204 /nfs/dbraw/zinc/03/22/04/559032204.db2.gz JQLAPXYNNJRMEF-UHFFFAOYSA-N 0 0 411.502 5.926 50 30 biogenic HKEARN CCCCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000098048361 520064482 /nfs/dbraw/zinc/06/44/82/520064482.db2.gz WPHVRGSSGULZCL-UHFFFAOYSA-N 0 0 420.553 6.197 50 30 HKEARN Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3O)sc3c2CCCC3)cc1C ZINC000098086343 559064896 /nfs/dbraw/zinc/06/48/96/559064896.db2.gz NNGUMBOTAYYUED-AFUMVMLFSA-N 0 0 404.535 5.952 50 30 HKEARN COP(=O)(OC)C(C)(C)CC(C)N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000098086605 559065326 /nfs/dbraw/zinc/06/53/26/559065326.db2.gz JPQGCSPJMMSQLM-GRSHGNNSSA-N 0 0 411.317 5.056 50 30 HKEARN CCCP(=O)(CCC)C(C)(C)C/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000098086606 559065294 /nfs/dbraw/zinc/06/52/94/559065294.db2.gz DMFZQASVUUSFEH-LVZFUZTISA-N 0 0 400.525 5.001 50 30 HKEARN CCOc1cccc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O ZINC000098086856 521316968 /nfs/dbraw/zinc/31/69/68/521316968.db2.gz MNFLXPQHOMKUMT-MFKUBSTISA-N 0 0 400.434 5.540 50 30 HKEARN O=C(Nc1cccc(/N=C/c2c(O)ccc3ccccc32)c1)c1cc2ccccc2o1 ZINC000098086858 559126846 /nfs/dbraw/zinc/12/68/46/559126846.db2.gz NKSDTAYNTBGVKV-JVWAILMASA-N 0 0 406.441 6.295 50 30 HKEARN CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 ZINC000098086884 559126783 /nfs/dbraw/zinc/12/67/83/559126783.db2.gz JJQLTJQWXKSGQI-ZMOGYAJESA-N 0 0 421.294 6.276 50 30 HKEARN CC(C)c1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3o2)cc1 ZINC000098086893 559065186 /nfs/dbraw/zinc/06/51/86/559065186.db2.gz RMCRWFVVLJLWDF-LQKURTRISA-N 0 0 406.485 7.228 50 30 HKEARN CCc1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 ZINC000098086895 523861700 /nfs/dbraw/zinc/86/17/00/523861700.db2.gz MANRYGXACCZYQD-ZVHZXABRSA-N 0 0 405.295 6.570 50 30 HKEARN CCc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 ZINC000098086897 559126814 /nfs/dbraw/zinc/12/68/14/559126814.db2.gz XEPHZVOHPNMTLG-ZMOGYAJESA-N 0 0 405.841 6.369 50 30 HKEARN CC(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 ZINC000098086898 519833944 /nfs/dbraw/zinc/83/39/44/519833944.db2.gz LCIPFHSWPGLDSR-DHRITJCHSA-N 0 0 419.868 6.930 50 30 HKEARN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)c1 ZINC000098087422 559065388 /nfs/dbraw/zinc/06/53/88/559065388.db2.gz AGPWYXVBKMGVLD-HAHDFKILSA-N 0 0 414.530 5.774 50 30 HKEARN Cc1ccc(/N=C/c2cc3ccc(C)cc3nc2S(=O)(=O)c2ccccc2)cc1 ZINC000098212145 559127625 /nfs/dbraw/zinc/12/76/25/559127625.db2.gz NSIYGMFVFJRRNY-PCLIKHOPSA-N 0 0 400.503 5.435 50 30 HKEARN CCCCCCCCCCCCCCCCCCSc1nc2ccccc2s1 ZINC000100001142 569013013 /nfs/dbraw/zinc/01/30/13/569013013.db2.gz RBCKELHDGBEBPT-UHFFFAOYSA-N 0 0 419.744 9.650 50 30 HKEARN Clc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(Cl)c4)cccc23)c1 ZINC000100003582 559128326 /nfs/dbraw/zinc/12/83/26/559128326.db2.gz WAIOBBWNKLXGRZ-DPCVLPDWSA-N 0 0 403.312 7.648 50 30 HKEARN CC(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100004297 559128376 /nfs/dbraw/zinc/12/83/76/559128376.db2.gz ZOMSFOSRJXOPCQ-QFIPXVFZSA-N 0 0 410.554 5.669 50 30 HKEARN CC(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100004299 559128379 /nfs/dbraw/zinc/12/83/79/559128379.db2.gz ZOMSFOSRJXOPCQ-JOCHJYFZSA-N 0 0 410.554 5.669 50 30 HKEARN CC1(C)CC(=O)C(C(c2c[nH]c3ccccc32)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004666 559128397 /nfs/dbraw/zinc/12/83/97/559128397.db2.gz KNRNFKZXBSEZBT-OAQYLSRUSA-N 0 0 407.510 5.027 50 30 HKEARN CC1(C)CC(=O)C(C(c2c[nH]c3ccccc32)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004668 520253980 /nfs/dbraw/zinc/25/39/80/520253980.db2.gz KNRNFKZXBSEZBT-NRFANRHFSA-N 0 0 407.510 5.027 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc(Cl)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004677 559128421 /nfs/dbraw/zinc/12/84/21/559128421.db2.gz FYWRTRIQWSJIJX-LJQANCHMSA-N 0 0 402.918 5.199 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc(Cl)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004679 559128405 /nfs/dbraw/zinc/12/84/05/559128405.db2.gz FYWRTRIQWSJIJX-IBGZPJMESA-N 0 0 402.918 5.199 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccc3ccccc3c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004682 559128432 /nfs/dbraw/zinc/12/84/32/559128432.db2.gz NKISYGWEDANKIA-HSZRJFAPSA-N 0 0 418.533 5.699 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccc3ccccc3c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004684 559128441 /nfs/dbraw/zinc/12/84/41/559128441.db2.gz NKISYGWEDANKIA-QHCPKHFHSA-N 0 0 418.533 5.699 50 30 HKEARN CSc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100004694 559128385 /nfs/dbraw/zinc/12/83/85/559128385.db2.gz CHTQPLGIXWLMMI-HXUWFJFHSA-N 0 0 414.567 5.268 50 30 HKEARN CSc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100004697 559128444 /nfs/dbraw/zinc/12/84/44/559128444.db2.gz CHTQPLGIXWLMMI-FQEVSTJZSA-N 0 0 414.567 5.268 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc3ccccc32)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004745 559128406 /nfs/dbraw/zinc/12/84/06/559128406.db2.gz WNMFUGGGXYQVAC-HSZRJFAPSA-N 0 0 418.533 5.699 50 30 HKEARN CC1(C)CC(=O)C(C(c2cccc3ccccc32)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004746 559128439 /nfs/dbraw/zinc/12/84/39/559128439.db2.gz WNMFUGGGXYQVAC-QHCPKHFHSA-N 0 0 418.533 5.699 50 30 HKEARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000100006716 559128535 /nfs/dbraw/zinc/12/85/35/559128535.db2.gz NKEDMNAJWSDOPS-UHFFFAOYSA-N 0 0 416.243 6.387 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006861 520253712 /nfs/dbraw/zinc/25/37/12/520253712.db2.gz BEHQTJNRAAEDPA-LJQANCHMSA-N 0 0 402.918 5.199 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006863 559128550 /nfs/dbraw/zinc/12/85/50/559128550.db2.gz BEHQTJNRAAEDPA-IBGZPJMESA-N 0 0 402.918 5.199 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100007766 559128585 /nfs/dbraw/zinc/12/85/85/559128585.db2.gz UMYHTZOAZYHTIA-LJQANCHMSA-N 0 0 402.918 5.199 50 30 HKEARN CC1(C)CC(=O)C(C(c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100007768 520252567 /nfs/dbraw/zinc/25/25/67/520252567.db2.gz UMYHTZOAZYHTIA-IBGZPJMESA-N 0 0 402.918 5.199 50 30 HKEARN CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000100014757 519995924 /nfs/dbraw/zinc/99/59/24/519995924.db2.gz IZSBVVGANRHKEE-UHFFFAOYSA-N 0 0 424.691 7.962 50 30 HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000100015048 574417200 /nfs/dbraw/zinc/41/72/00/574417200.db2.gz GMRQFYUYWCNGIN-NKMMMXOESA-N 0 0 416.646 5.705 50 30 endogenous,fda HKEARN CCCCCCCCOc1cc(CC#N)c(OCCCCCCCC)cc1CC#N ZINC000100021044 559128575 /nfs/dbraw/zinc/12/85/75/559128575.db2.gz LDZVSSLTZXUFQD-UHFFFAOYSA-N 0 0 412.618 7.297 50 30 HKEARN CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZINC000100025209 519996905 /nfs/dbraw/zinc/99/69/05/519996905.db2.gz DIROHOMJLWMERM-UHFFFAOYSA-O 0 0 420.724 6.602 50 30 HKEARN CCCCCCCCCCCCCC(=O)O[C@@H](C)C(CCC(C)C)CCC(C)C ZINC000100025480 559128733 /nfs/dbraw/zinc/12/87/33/559128733.db2.gz JHAGSLRTFDBCLA-VWLOTQADSA-N 0 0 410.727 9.108 50 30 HKEARN CCCCCCCCCCCCCC(=O)O[C@H](C)C(CCC(C)C)CCC(C)C ZINC000100025482 559128723 /nfs/dbraw/zinc/12/87/23/559128723.db2.gz JHAGSLRTFDBCLA-RUZDIDTESA-N 0 0 410.727 9.108 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100028919 559128764 /nfs/dbraw/zinc/12/87/64/559128764.db2.gz OXIOBRVDDFZDDM-GOSISDBHSA-N 0 0 408.325 5.161 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000100028921 559128767 /nfs/dbraw/zinc/12/87/67/559128767.db2.gz OXIOBRVDDFZDDM-SFHVURJKSA-N 0 0 408.325 5.161 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOCc1ccccc1 ZINC000100029028 519992973 /nfs/dbraw/zinc/99/29/73/519992973.db2.gz LYWJMLVVNCUIIR-UHFFFAOYSA-N 0 0 417.678 7.581 50 30 biogenic HKEARN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000100031094 568430720 /nfs/dbraw/zinc/43/07/20/568430720.db2.gz GMRQFYUYWCNGIN-DRQJEBLXSA-N 0 0 416.646 5.705 50 30 in-vitro HKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(/N=N/c4ccccc4)cc3)ccc21 ZINC000100031606 523274069 /nfs/dbraw/zinc/27/40/69/523274069.db2.gz ZSZGRQSRHXGZAU-DOJSKZQGSA-N 0 0 402.501 7.980 50 30 HKEARN CCCCCCCOc1ccc(NCc2ccccc2OCCc2ccccc2)cc1 ZINC000100033825 559129001 /nfs/dbraw/zinc/12/90/01/559129001.db2.gz ZQWJKBUILWVYPU-UHFFFAOYSA-N 0 0 417.593 7.269 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Oc1c[nH]c2cc(Cl)ccc12 ZINC000100034274 559129032 /nfs/dbraw/zinc/12/90/32/559129032.db2.gz GYQVOAOTWFXDDC-UHFFFAOYSA-N 0 0 406.010 8.208 50 30 HKEARN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O ZINC000100035147 518664077 /nfs/dbraw/zinc/66/40/77/518664077.db2.gz KJKIIUAXZGLUND-FOZBYKFWSA-N 0 0 412.658 6.756 50 30 in-vitro HKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000100036724 559129003 /nfs/dbraw/zinc/12/90/03/559129003.db2.gz JIMMXKUAHBEQPE-UHFFFAOYSA-N 0 0 410.642 9.007 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](C)c1ccccc1 ZINC000100038030 559129093 /nfs/dbraw/zinc/12/90/93/559129093.db2.gz RVZRCFDTNFWTPN-RUZDIDTESA-N 0 0 401.679 8.168 50 30 biogenic HKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@H](C)c1ccccc1 ZINC000100038031 559129092 /nfs/dbraw/zinc/12/90/92/559129092.db2.gz RVZRCFDTNFWTPN-VWLOTQADSA-N 0 0 401.679 8.168 50 30 biogenic HKEARN Oc1ccccc1/C=N/c1ccccc1/N=N/c1ccccc1/N=C/c1ccccc1O ZINC000100038456 559129113 /nfs/dbraw/zinc/12/91/13/559129113.db2.gz SOZKMMFWBXRDSE-VBJJXLHFSA-N 0 0 420.472 7.014 50 30 HKEARN CCCCCCCOc1ccc(CNc2cccc(OCCc3ccccc3)c2)cc1 ZINC000100039761 559129104 /nfs/dbraw/zinc/12/91/04/559129104.db2.gz ZYYSVFMHDNWNDP-UHFFFAOYSA-N 0 0 417.593 7.269 50 30 HKEARN CCCCCCCc1cnc(-c2ccc(-c3ccc(OCCCCC)cc3)cc2)nc1 ZINC000100042199 559129107 /nfs/dbraw/zinc/12/91/07/559129107.db2.gz DFXJGRXRHRVQAT-UHFFFAOYSA-N 0 0 416.609 7.893 50 30 HKEARN Fc1c(F)c(F)c(Oc2c(F)c(F)c(Br)c(F)c2F)c(F)c1F ZINC000100045510 568935371 /nfs/dbraw/zinc/93/53/71/568935371.db2.gz UHIGTBMVQHTRMG-UHFFFAOYSA-N 0 0 411.017 5.493 50 30 HKEARN CCCCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O ZINC000100045794 559129179 /nfs/dbraw/zinc/12/91/79/559129179.db2.gz GSGMEQUXTCYOAU-UHFFFAOYSA-N 0 0 423.170 5.230 50 30 HKEARN CCCCCCCC[P@@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1 ZINC000100050746 520047509 /nfs/dbraw/zinc/04/75/09/520047509.db2.gz SGZRFMMIONYDQU-MUUNZHRXSA-N 0 0 407.579 6.176 50 30 HKEARN CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1 ZINC000100050750 520047559 /nfs/dbraw/zinc/04/75/59/520047559.db2.gz SGZRFMMIONYDQU-NDEPHWFRSA-N 0 0 407.579 6.176 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O ZINC000100051969 568442931 /nfs/dbraw/zinc/44/29/31/568442931.db2.gz FCKJYANJHNLEEP-XRWYNYHCSA-N 0 0 416.646 5.705 50 30 endogenous,in-man HKEARN COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000100055525 571317803 /nfs/dbraw/zinc/31/78/03/571317803.db2.gz UTROQYQKNNCTMF-CZYCKNNWSA-N 0 0 420.512 6.872 50 30 HKEARN O=C1c2ccccc2SC1=C(Nc1ccc(Br)cc1)c1ccccc1 ZINC000100056433 559129281 /nfs/dbraw/zinc/12/92/81/559129281.db2.gz YMOVMTRGZWCQCB-XUTLUUPISA-N 0 0 408.320 6.218 50 30 HKEARN O=C1c2ccccc2SC1=C(Nc1ccc(Br)cc1)c1ccccc1 ZINC000100056435 559118982 /nfs/dbraw/zinc/11/89/82/559118982.db2.gz YMOVMTRGZWCQCB-VZCXRCSSSA-N 0 0 408.320 6.218 50 30 HKEARN C=CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100059842 519040612 /nfs/dbraw/zinc/04/06/12/519040612.db2.gz OXHUQUMKFKHFCT-JOCHJYFZSA-N 0 0 424.537 5.111 50 30 HKEARN C=CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100059846 559129269 /nfs/dbraw/zinc/12/92/69/559129269.db2.gz OXHUQUMKFKHFCT-QFIPXVFZSA-N 0 0 424.537 5.111 50 30 HKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000100061208 559129315 /nfs/dbraw/zinc/12/93/15/559129315.db2.gz HBQIJIKRIGMABH-UHFFFAOYSA-N 0 0 416.071 7.100 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2ccccc21 ZINC000100064087 519992547 /nfs/dbraw/zinc/99/25/47/519992547.db2.gz CJVDJPQHLSHHMZ-UHFFFAOYSA-N 0 0 410.642 9.007 50 30 HKEARN CCCCCCCCOc1ccc(/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000100066872 520043610 /nfs/dbraw/zinc/04/36/10/520043610.db2.gz KIKRTEQLPSWZNG-LHLOQNFPSA-N 0 0 423.557 6.685 50 30 HKEARN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000100067642 569283711 /nfs/dbraw/zinc/28/37/11/569283711.db2.gz WCUBBMIUIPEPOH-UHFFFAOYSA-N 0 0 423.707 7.535 50 30 HKEARN C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000100071706 559123039 /nfs/dbraw/zinc/12/30/39/559123039.db2.gz DKTAXNFSRHLSEC-UHFFFAOYSA-N 0 0 420.644 5.948 50 30 HKEARN CC(C)(C)c1cc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc(C(C)(C)C)c1O ZINC000100073336 559129662 /nfs/dbraw/zinc/12/96/62/559129662.db2.gz GNZDAXRYGVFYPU-UHFFFAOYSA-N 0 0 421.645 8.337 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000100073805 519024041 /nfs/dbraw/zinc/02/40/41/519024041.db2.gz JVZLYQFRRGLPON-PCLIKHOPSA-N 0 0 402.450 5.862 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000100073809 519024096 /nfs/dbraw/zinc/02/40/96/519024096.db2.gz ITHHAMXFKSCSDS-CVKSISIWSA-N 0 0 401.462 5.683 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000100073815 559124157 /nfs/dbraw/zinc/12/41/57/559124157.db2.gz DGRILWDREQAPIV-PCLIKHOPSA-N 0 0 402.450 5.862 50 30 HKEARN C/C=C/C=N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100075724 559129679 /nfs/dbraw/zinc/12/96/79/559129679.db2.gz HYQCUKOHQHEHJH-KPHLVTAESA-N 0 0 406.485 5.251 50 30 HKEARN C/C=C/C=N/N=C1/c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100075727 518515702 /nfs/dbraw/zinc/51/57/02/518515702.db2.gz HYQCUKOHQHEHJH-YQTYFVAESA-N 0 0 406.485 5.251 50 30 HKEARN S=c1ss/c(=N\C(=N\c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000100080911 559126899 /nfs/dbraw/zinc/12/68/99/559126899.db2.gz FJPXMHIJROTFCE-JMALZQNKSA-N 0 0 405.573 6.009 50 30 HKEARN O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100083126 526938684 /nfs/dbraw/zinc/93/86/84/526938684.db2.gz XTRPYSJRQXCPKZ-RXBBGTROSA-N 0 0 400.906 6.026 50 30 HKEARN CC(C)CCN1c2ccccc2C(=NNc2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000100084305 559127020 /nfs/dbraw/zinc/12/70/20/559127020.db2.gz NFRMQTPVPFJBRH-QJOMJCCJSA-N 0 0 410.732 5.856 50 30 HKEARN CCCCCCCCOc1ccc(Cl)cc1/C=C1/S/C(=N\C(C)=O)NC1=O ZINC000100085285 559127017 /nfs/dbraw/zinc/12/70/17/559127017.db2.gz ADQGQSSIMLYLFZ-QGOAFFKASA-N 0 0 408.951 5.186 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000100089451 519990041 /nfs/dbraw/zinc/99/00/41/519990041.db2.gz ITQZQRAXGGXRRH-UHFFFAOYSA-N 0 0 413.602 7.521 50 30 HKEARN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000100091215 568454748 /nfs/dbraw/zinc/45/47/48/568454748.db2.gz OFHCOWSQAMBJIW-GITLSTMWSA-N 0 0 400.647 6.590 50 30 in-vitro HKEARN CC(=CC(=O)C(F)(F)F)Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000100094423 559144220 /nfs/dbraw/zinc/14/42/20/559144220.db2.gz AZCVUODXGDMBJP-RMKNXTFCSA-N 0 0 424.728 5.993 50 30 HKEARN CC(=CC(=O)C(F)(F)F)Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000100094617 559146501 /nfs/dbraw/zinc/14/65/01/559146501.db2.gz BGFFNCVUKJKZNV-UITAMQMPSA-N 0 0 424.728 5.993 50 30 HKEARN CC(=CC(=O)C(F)(F)F)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100095106 518409928 /nfs/dbraw/zinc/40/99/28/518409928.db2.gz PVPVYVKDFBUVAD-TWGQIWQCSA-N 0 0 424.728 5.993 50 30 HKEARN CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000100101017 520064621 /nfs/dbraw/zinc/06/46/21/520064621.db2.gz BKYDPWGMCBVRME-XIEYBQDHSA-N 0 0 413.587 5.043 50 30 HKEARN Cc1nc(C=CNc2ccc(F)cc2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N ZINC000100101084 559149274 /nfs/dbraw/zinc/14/92/74/559149274.db2.gz DYSBDNWKFXILQY-MDZDMXLPSA-N 0 0 423.278 6.329 50 30 HKEARN Cc1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1C ZINC000100102448 524913474 /nfs/dbraw/zinc/91/34/74/524913474.db2.gz AIYJOEXHOKFXNC-OUKQBFOZSA-N 0 0 409.888 6.483 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000100103338 559129785 /nfs/dbraw/zinc/12/97/85/559129785.db2.gz GXMOBDSRECTWGH-VDQGFZQOSA-N 0 0 409.514 6.285 50 30 HKEARN Cc1cc(Cl)ccc1NC=CC(=O)c1ccc2noc(-c3cccc(F)c3)c2c1 ZINC000100108617 559151363 /nfs/dbraw/zinc/15/13/63/559151363.db2.gz FNRHLMVBSSHXIW-MDZDMXLPSA-N 0 0 406.844 6.404 50 30 HKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CNc1ccc(Cl)cc1Cl ZINC000100109124 526572477 /nfs/dbraw/zinc/57/24/77/526572477.db2.gz AXZVZOBRESMLMB-CMDGGOBGSA-N 0 0 423.752 6.887 50 30 HKEARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNCc1ccc(Cl)c(Cl)c1 ZINC000100109688 559151714 /nfs/dbraw/zinc/15/17/14/559151714.db2.gz LTCGJUVVLZQLKF-UHFFFAOYSA-N 0 0 408.712 5.336 50 30 aggregator HKEARN Cc1cccc2c1NC(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100110347 559129886 /nfs/dbraw/zinc/12/98/86/559129886.db2.gz HAGGZCWDHVTCGK-SFFDJHAESA-N 0 0 411.486 5.126 50 30 HKEARN O=C(Nc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000100113827 559155341 /nfs/dbraw/zinc/15/53/41/559155341.db2.gz GCMDNTZPKZULMN-MXAYSNPKSA-N 0 0 413.355 5.617 50 30 HKEARN Fc1ccc(-c2n[nH]cc2CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000100114748 526314949 /nfs/dbraw/zinc/31/49/49/526314949.db2.gz CMDMAVPCVXYDJP-UYOSMMAWSA-N 0 0 420.263 5.237 50 30 HKEARN COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1 ZINC000100117605 559155726 /nfs/dbraw/zinc/15/57/26/559155726.db2.gz HBVAGNDQLFFJLE-ORTFSBGYSA-N 0 0 410.517 5.651 50 30 HKEARN COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1 ZINC000100117609 523472226 /nfs/dbraw/zinc/47/22/26/523472226.db2.gz HBVAGNDQLFFJLE-TZAZENOZSA-N 0 0 410.517 5.651 50 30 HKEARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 ZINC000100117651 559155723 /nfs/dbraw/zinc/15/57/23/559155723.db2.gz GXPVENMMDSUEJS-NSUNUEHASA-N 0 0 414.936 6.296 50 30 HKEARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 ZINC000100117656 559155827 /nfs/dbraw/zinc/15/58/27/559155827.db2.gz GXPVENMMDSUEJS-BMNAXSRBSA-N 0 0 414.936 6.296 50 30 HKEARN CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O ZINC000100129181 559130191 /nfs/dbraw/zinc/13/01/91/559130191.db2.gz LRFMTNCHUNRFPD-UHFFFAOYSA-N 0 0 421.589 6.065 50 30 HKEARN Cc1ccc(C)c(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)c1 ZINC000100132704 559162954 /nfs/dbraw/zinc/16/29/54/559162954.db2.gz QOICTOVMHBWXPJ-OUKQBFOZSA-N 0 0 409.888 6.483 50 30 HKEARN Cc1ccc(C2=NOC(=O)/C2=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000100136304 559163217 /nfs/dbraw/zinc/16/32/17/559163217.db2.gz RZZUEOKHZNCNBD-KGENOOAVSA-N 0 0 403.865 5.572 50 30 HKEARN Cc1ccc(C2=NOC(=O)/C2=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000100136317 524234725 /nfs/dbraw/zinc/23/47/25/524234725.db2.gz XJVIZTHHRXOUAH-HYARGMPZSA-N 0 0 403.865 5.572 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000100137752 559163184 /nfs/dbraw/zinc/16/31/84/559163184.db2.gz BJNNPQYOEMYJCE-KROBSHITSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000100137756 559163232 /nfs/dbraw/zinc/16/32/32/559163232.db2.gz BJNNPQYOEMYJCE-LXGWOEDASA-N 0 0 413.448 5.317 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100137768 559163226 /nfs/dbraw/zinc/16/32/26/559163226.db2.gz GLOABBQFENJIPL-BFFNPARHSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100137771 559163209 /nfs/dbraw/zinc/16/32/09/559163209.db2.gz GLOABBQFENJIPL-OMHSXHNCSA-N 0 0 413.448 5.317 50 30 HKEARN CCCCC(NCCc1c(C)[nH]c2ccc(OC)cc21)=C1C(=O)CC(C)(C)CC1=O ZINC000100140285 559163798 /nfs/dbraw/zinc/16/37/98/559163798.db2.gz WEMOHQLVXDVZDY-UHFFFAOYSA-N 0 0 410.558 5.020 50 30 HKEARN CCCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CC(C)(C)CC1=O ZINC000100140294 559163796 /nfs/dbraw/zinc/16/37/96/559163796.db2.gz HADHWTWNTUMWPK-UHFFFAOYSA-N 0 0 415.574 5.019 50 30 HKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)CC(C)(C)CC1=O ZINC000100140347 559163761 /nfs/dbraw/zinc/16/37/61/559163761.db2.gz OSIDHVOSYVXHEZ-UHFFFAOYSA-N 0 0 410.558 5.020 50 30 HKEARN CCCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)CC(C)(C)CC1=O ZINC000100140360 519905360 /nfs/dbraw/zinc/90/53/60/519905360.db2.gz ADUMWIHFAYEPAZ-UHFFFAOYSA-N 0 0 415.574 5.019 50 30 HKEARN Cc1ccc(N=NC(=NNc2ccc(C)cc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100142872 559163837 /nfs/dbraw/zinc/16/38/37/559163837.db2.gz XPIIOPUBQIRMJD-YPGYYBNOSA-N 0 0 405.889 6.105 50 30 HKEARN Cc1ccc(NC=CC(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000100142930 559163869 /nfs/dbraw/zinc/16/38/69/559163869.db2.gz LKJXNKMPEQAALV-VAWYXSNFSA-N 0 0 412.316 6.689 50 30 HKEARN Cc1ccc(NC=CC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000100142938 524913492 /nfs/dbraw/zinc/91/34/92/524913492.db2.gz BYTNTZJBOMQLQA-OUKQBFOZSA-N 0 0 412.316 6.689 50 30 HKEARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2cc(Cl)cc(Cl)c2)cc1 ZINC000100143799 559163851 /nfs/dbraw/zinc/16/38/51/559163851.db2.gz XORQAJWXJDMMGA-FSJBWODESA-N 0 0 417.317 7.112 50 30 HKEARN Cc1ccc(Sc2nc(-c3ccccc3)[nH]c2C=Nc2ccc(Cl)cc2)cc1 ZINC000100143803 559163866 /nfs/dbraw/zinc/16/38/66/559163866.db2.gz MKTAEBJPTZVHNP-MFKUBSTISA-N 0 0 403.938 6.940 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000100145051 559164005 /nfs/dbraw/zinc/16/40/05/559164005.db2.gz JPOLKQCWAATQLF-DKUDOZJNSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000100145054 559163981 /nfs/dbraw/zinc/16/39/81/559163981.db2.gz JPOLKQCWAATQLF-ZXYASIKESA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1 ZINC000100145069 559130526 /nfs/dbraw/zinc/13/05/26/559130526.db2.gz BYMXOTYXFCWKSE-USXRGHEGSA-N 0 0 413.448 5.317 50 30 HKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000100145070 559130533 /nfs/dbraw/zinc/13/05/33/559130533.db2.gz BYMXOTYXFCWKSE-RLMNYEENSA-N 0 0 413.448 5.317 50 30 HKEARN CCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100146048 521650403 /nfs/dbraw/zinc/65/04/03/521650403.db2.gz TUSSFDMKSUAZMJ-UHFFFAOYSA-N 0 0 414.549 5.297 50 30 HKEARN Cc1cccc(NC=CC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000100146719 559164347 /nfs/dbraw/zinc/16/43/47/559164347.db2.gz MAVKDAKWTHYQHQ-VAWYXSNFSA-N 0 0 412.316 6.689 50 30 HKEARN Cc1cccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)c1C ZINC000100146722 559164285 /nfs/dbraw/zinc/16/42/85/559164285.db2.gz QKXOXSODLPQEEI-BUHFOSPRSA-N 0 0 409.888 6.483 50 30 HKEARN CCCC(NCCc1c(C)[nH]c2ccccc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100146918 559164288 /nfs/dbraw/zinc/16/42/88/559164288.db2.gz HVFALGDWQHVQTM-UHFFFAOYSA-N 0 0 414.549 5.378 50 30 HKEARN Cc1nc(CSc2nsc(C=CNc3ccc(Cl)cc3)c2C#N)cs1 ZINC000100147158 559164335 /nfs/dbraw/zinc/16/43/35/559164335.db2.gz KBCCTDLDMAICNB-VOTSOKGWSA-N 0 0 404.973 5.808 50 30 HKEARN CCCCCCCCc1noc(-c2cc(Br)sc2Br)n1 ZINC000100160015 559131335 /nfs/dbraw/zinc/13/13/35/559131335.db2.gz QCPKSBRIUGCRLI-UHFFFAOYSA-N 0 0 422.186 6.226 50 30 HKEARN CCCCc1ccc(NC(=O)CSc2ccccc2/N=C\c2ccccc2O)cc1 ZINC000100164399 559131452 /nfs/dbraw/zinc/13/14/52/559131452.db2.gz ILVBHHBDOIUACM-ONUIUJJFSA-N 0 0 418.562 6.216 50 30 HKEARN CCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000100165711 559167900 /nfs/dbraw/zinc/16/79/00/559167900.db2.gz JRGQNMAQZNTSHU-JZJYNLBNSA-N 0 0 400.518 7.002 50 30 HKEARN CCCCCCCc1ccc(/C=C/C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000100165815 559167886 /nfs/dbraw/zinc/16/78/86/559167886.db2.gz OKBUNDICCAGKCP-LTGZKZEYSA-N 0 0 422.572 7.435 50 30 HKEARN CCCCCCCCC/C(=N\O)c1cc(CCCCCC)c(OCCCC)cc1O ZINC000100166358 559131448 /nfs/dbraw/zinc/13/14/48/559131448.db2.gz LKMMLBZOZACXKO-SOYKGTTHSA-N 0 0 419.650 8.013 50 30 HKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000100166417 559167873 /nfs/dbraw/zinc/16/78/73/559167873.db2.gz ZDNQUQWVDUNSBW-YBEGLDIGSA-N 0 0 422.521 6.358 50 30 HKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000100166421 559167920 /nfs/dbraw/zinc/16/79/20/559167920.db2.gz BSNDSTRKUHNTRL-STZFKDTASA-N 0 0 420.593 7.752 50 30 HKEARN CCCCCCCCCCCC(=NNc1ccccc1)c1cc(Cl)ccc1O ZINC000100166619 571317790 /nfs/dbraw/zinc/31/77/90/571317790.db2.gz DMPHTYGNSHQNHT-SLEBQGDGSA-N 0 0 400.994 7.783 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1 ZINC000100167035 569013005 /nfs/dbraw/zinc/01/30/05/569013005.db2.gz WCDKWODSRHMUFA-SLEBQGDGSA-N 0 0 419.650 8.231 50 30 HKEARN CCCCCCCCOc1ccc(-c2nccc(/C=C(/C(C)=O)C(=O)OC)n2)cc1 ZINC000100168011 559167634 /nfs/dbraw/zinc/16/76/34/559167634.db2.gz FWVMZFRKMSMTKR-XLNRJJMWSA-N 0 0 410.514 5.028 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000100168128 559167950 /nfs/dbraw/zinc/16/79/50/559167950.db2.gz XXLDOKRFQKMXFF-CJLVFECKSA-N 0 0 422.481 5.679 50 30 HKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3cccc(OC)c3)OC2=O)cc1 ZINC000100168311 559167973 /nfs/dbraw/zinc/16/79/73/559167973.db2.gz PGLWJOSNKCPSBC-NKFKGCMQSA-N 0 0 422.525 5.691 50 30 HKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000100168318 559167971 /nfs/dbraw/zinc/16/79/71/559167971.db2.gz IQQHGWJKPSPYJF-NKFKGCMQSA-N 0 0 406.526 5.991 50 30 HKEARN CCCCn1c(/N=C/c2ccccc2C)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176590 521354246 /nfs/dbraw/zinc/35/42/46/521354246.db2.gz ITFWBRJHYYNIKC-NJZRLIGZSA-N 0 0 417.556 7.553 50 30 HKEARN CCCCn1c(/N=C/c2ccccc2F)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176617 559172051 /nfs/dbraw/zinc/17/20/51/559172051.db2.gz RFJXBLDUMHAHSQ-AJBULDERSA-N 0 0 421.519 7.384 50 30 HKEARN CCCCn1c(/N=C/c2cccc(C)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176649 559171992 /nfs/dbraw/zinc/17/19/92/559171992.db2.gz KNKQHXWONOCMTP-NJZRLIGZSA-N 0 0 417.556 7.553 50 30 HKEARN CCCCn1c(/N=C/c2ccc(C)o2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176667 559171993 /nfs/dbraw/zinc/17/19/93/559171993.db2.gz PSTKUCLYAYOMPR-VUTHCHCSSA-N 0 0 407.517 7.146 50 30 HKEARN CCCCn1c(/N=C/c2ccccc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176695 559172055 /nfs/dbraw/zinc/17/20/55/559172055.db2.gz GBDLAGFEIJYQDE-MWAVMZGNSA-N 0 0 403.529 7.244 50 30 HKEARN CCCCn1c(/N=C/c2cccs2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176704 559172030 /nfs/dbraw/zinc/17/20/30/559172030.db2.gz GSIPUSQVLVJCKT-TURZUDJPSA-N 0 0 409.558 7.306 50 30 HKEARN CCCCCCCCCCCCS[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100208105 520013924 /nfs/dbraw/zinc/01/39/24/520013924.db2.gz SPQDJFIUDLFURP-NRFANRHFSA-N 0 0 405.604 5.981 50 30 HKEARN CCCCCCCCCCCCS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100208118 559131855 /nfs/dbraw/zinc/13/18/55/559131855.db2.gz IOZCWAPNTISCKP-FQEVSTJZSA-N 0 0 410.023 6.626 50 30 HKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1Sc2ccccc2C1=O ZINC000100209447 521370027 /nfs/dbraw/zinc/37/00/27/521370027.db2.gz MFARWWKLGSQGTF-XDHOZWIPSA-N 0 0 421.543 6.142 50 30 HKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1Sc2ccccc2C1=O ZINC000100209452 559131882 /nfs/dbraw/zinc/13/18/82/559131882.db2.gz MFARWWKLGSQGTF-UNOMPAQXSA-N 0 0 421.543 6.142 50 30 HKEARN CCOC(=O)c1c(-c2ccccc2)csc1NC=C1Sc2ccccc2C1=O ZINC000100209457 559177570 /nfs/dbraw/zinc/17/75/70/559177570.db2.gz YPQSSRXJQNJUBH-LDADJPATSA-N 0 0 407.516 5.834 50 30 HKEARN CCOC(=O)c1c(-c2ccccc2)csc1NC=C1Sc2ccccc2C1=O ZINC000100209461 559177624 /nfs/dbraw/zinc/17/76/24/559177624.db2.gz YPQSSRXJQNJUBH-PDGQHHTCSA-N 0 0 407.516 5.834 50 30 HKEARN CCOC(=O)c1cc(-c2cccc(/N=C/c3ccc([N+](=O)[O-])o3)c2)nc2ccccc21 ZINC000100210446 559177925 /nfs/dbraw/zinc/17/79/25/559177925.db2.gz ZDYRZKRGRVKIES-ZVHZXABRSA-N 0 0 415.405 5.330 50 30 HKEARN C=CCn1c(=N)c2c3c(sc2nc1SCc1ccc(Cl)cc1)CCCC3 ZINC000100227813 519152318 /nfs/dbraw/zinc/15/23/18/519152318.db2.gz GAVKPJBOLZASET-UHFFFAOYSA-N 0 0 401.988 5.588 50 30 HKEARN N#Cc1c(SCC(=O)c2cc3ccccc3o2)nc2c(c1C(F)(F)F)CCCC2 ZINC000100233195 557293483 /nfs/dbraw/zinc/29/34/83/557293483.db2.gz ABCAWUXSEMWROP-WJDWOHSUSA-N 0 0 416.424 6.246 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000100233580 559181366 /nfs/dbraw/zinc/18/13/66/559181366.db2.gz UHMCMLYKVKJYLU-TWGQILOBSA-N 0 0 408.523 5.221 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC2=C(Cc3ccccc3)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000100238156 559133068 /nfs/dbraw/zinc/13/30/68/559133068.db2.gz IEHCFWGUERFWOB-DGZHZMGISA-N 0 0 414.421 5.349 50 30 HKEARN CCCCCCCCC(CCCCCCCC)OS(=O)(=O)c1ccc(C)cc1 ZINC000100239894 569283678 /nfs/dbraw/zinc/28/36/78/569283678.db2.gz WUZFVFUKQALPIJ-UHFFFAOYSA-N 0 0 410.664 7.570 50 30 HKEARN Cc1oc(/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(C#N)c1C ZINC000100251832 559133406 /nfs/dbraw/zinc/13/34/06/559133406.db2.gz HUAFBQKUKPJZCQ-ZVBGSRNCSA-N 0 0 414.215 5.449 50 30 HKEARN CN(C)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000100252990 559189285 /nfs/dbraw/zinc/18/92/85/559189285.db2.gz KRYNRGNGULVGHD-WFXBMRRRSA-N 0 0 405.567 5.689 50 30 HKEARN CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100255893 523967918 /nfs/dbraw/zinc/96/79/18/523967918.db2.gz PFIUSUSKFZQGEE-GJIPYRLRSA-N 0 0 420.275 5.227 50 30 HKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2CC)cc1 ZINC000100259540 559133477 /nfs/dbraw/zinc/13/34/77/559133477.db2.gz DONUJMPKVCNWIX-CFDZAGTRSA-N 0 0 402.903 5.068 50 30 HKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N2CC)cc1 ZINC000100259632 559190387 /nfs/dbraw/zinc/19/03/87/559190387.db2.gz SSJYTMBVNJLUPN-WFXBMRRRSA-N 0 0 423.582 5.555 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(OCC)cc1 ZINC000100259722 521698395 /nfs/dbraw/zinc/69/83/95/521698395.db2.gz GHVOVZIUHJARCB-RDHMHZQQSA-N 0 0 409.555 5.165 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000100259761 559133497 /nfs/dbraw/zinc/13/34/97/559133497.db2.gz LAGLAQPTJJVXCW-XMFNYGHISA-N 0 0 416.930 5.458 50 30 HKEARN Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(C3CCCCC3)C1=O)OCO2 ZINC000100262761 560724112 /nfs/dbraw/zinc/72/41/12/560724112.db2.gz PSOXVNDYIWEJIW-QMSJJHEMSA-N 0 0 420.534 5.660 50 30 HKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000100265487 559133480 /nfs/dbraw/zinc/13/34/80/559133480.db2.gz CNZSXSSKVWGQRQ-SXZIKPQKSA-N 0 0 411.546 5.718 50 30 HKEARN Cc1ccc(/N=C/c2c3ccccc3n(C)c2Oc2ccc(C(F)(F)F)cc2)cc1C ZINC000100265820 525968769 /nfs/dbraw/zinc/96/87/69/525968769.db2.gz POSWRWXEVPGFGD-WKULSOCRSA-N 0 0 422.450 7.357 50 30 HKEARN Cn1nc(C(F)(F)F)c(/C=N/c2ccc(F)cc2F)c1Sc1ccc(F)cc1 ZINC000100271431 559190682 /nfs/dbraw/zinc/19/06/82/559190682.db2.gz YBMBNGGQAMYYQP-YCPBAFNGSA-N 0 0 415.362 5.758 50 30 HKEARN C/N=C1\S/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1C ZINC000100272025 559190661 /nfs/dbraw/zinc/19/06/61/559190661.db2.gz UBGAKPGFAVDZSH-UYMBLXCVSA-N 0 0 407.322 5.104 50 30 HKEARN COC(=O)c1ccccc1CSc1nsc(C=CNc2ccccc2)c1C#N ZINC000100277831 559190848 /nfs/dbraw/zinc/19/08/48/559190848.db2.gz VWTLCNOXYRUIHL-VAWYXSNFSA-N 0 0 407.520 5.176 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100282489 559133612 /nfs/dbraw/zinc/13/36/12/559133612.db2.gz HEUWPRFJPQGNQC-UHFFFAOYSA-N 0 0 402.966 7.504 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000100282518 559133627 /nfs/dbraw/zinc/13/36/27/559133627.db2.gz MSYIDQFKYSGYDW-DEOSSOPVSA-N 0 0 417.678 8.134 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000100282522 559133609 /nfs/dbraw/zinc/13/36/09/559133609.db2.gz MSYIDQFKYSGYDW-XMMPIXPASA-N 0 0 417.678 8.134 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1OC(C)C ZINC000100282673 559133603 /nfs/dbraw/zinc/13/36/03/559133603.db2.gz PHXNKSRGAJLFMZ-UHFFFAOYSA-N 0 0 417.678 8.674 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2)cc1 ZINC000100283762 559133631 /nfs/dbraw/zinc/13/36/31/559133631.db2.gz SIMFDEGLLZZDTQ-UHFFFAOYSA-N 0 0 412.574 6.407 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000100283781 559133601 /nfs/dbraw/zinc/13/36/01/559133601.db2.gz YWUZBNYYVKOQAR-UHFFFAOYSA-N 0 0 402.966 7.504 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(F)cc1 ZINC000100283955 519992559 /nfs/dbraw/zinc/99/25/59/519992559.db2.gz MAUUAQVNXSXMSX-UHFFFAOYSA-N 0 0 421.641 7.582 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C(C)C)cc1 ZINC000100284794 559133618 /nfs/dbraw/zinc/13/36/18/559133618.db2.gz LYGZYFDXUJJAAW-UHFFFAOYSA-N 0 0 415.706 8.688 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1 ZINC000100284799 559133623 /nfs/dbraw/zinc/13/36/23/559133623.db2.gz CFKGCKLGBTYICF-UHFFFAOYSA-N 0 0 403.651 7.443 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000100284893 559133629 /nfs/dbraw/zinc/13/36/29/559133629.db2.gz JAFXHYHJAGKIFH-DEOSSOPVSA-N 0 0 422.613 7.228 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000100284896 559133614 /nfs/dbraw/zinc/13/36/14/559133614.db2.gz JAFXHYHJAGKIFH-XMMPIXPASA-N 0 0 422.613 7.228 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)N(C)CCOc1ccccc1 ZINC000100285159 559133706 /nfs/dbraw/zinc/13/37/06/559133706.db2.gz AMEFNLGVALEEFV-UHFFFAOYSA-N 0 0 417.678 7.785 50 30 HKEARN CCCCCCCCOc1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000100285279 559133728 /nfs/dbraw/zinc/13/37/28/559133728.db2.gz VIJFWHHJFJYYTN-UHFFFAOYSA-N 0 0 406.595 7.388 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1F ZINC000100285292 559133722 /nfs/dbraw/zinc/13/37/22/559133722.db2.gz IAHDWIPJXZKCLA-UHFFFAOYSA-N 0 0 421.641 7.582 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCc1cccc2ccccc21 ZINC000100285334 559133695 /nfs/dbraw/zinc/13/36/95/559133695.db2.gz FMGXCHVUWQWSCN-UHFFFAOYSA-N 0 0 423.685 8.718 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(Cl)cc1 ZINC000100285346 559133732 /nfs/dbraw/zinc/13/37/32/559133732.db2.gz OQKKEPSYJAYEHN-UHFFFAOYSA-N 0 0 422.097 8.260 50 30 HKEARN COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000100287155 523426978 /nfs/dbraw/zinc/42/69/78/523426978.db2.gz LDFAESWBFQNWBF-JHHKTYBCSA-N 0 0 423.494 5.150 50 30 HKEARN Cc1cc(-c2ccc(/N=C/c3ccccc3O)c(C)c2)ccc1/N=C/c1ccccc1O ZINC000100287991 559133711 /nfs/dbraw/zinc/13/37/11/559133711.db2.gz BEDLGXJEYNEBOO-YAGSLNJISA-N 0 0 420.512 6.883 50 30 HKEARN CCOC(=O)c1c(C)oc2c1/C(=C/N[C@@H](C)c1ccccc1)C(=O)c1ccccc1-2 ZINC000100289897 559192766 /nfs/dbraw/zinc/19/27/66/559192766.db2.gz YZAYQFMDZYOZEE-CPOQMQJTSA-N 0 0 401.462 5.320 50 30 HKEARN CCOC(=O)c1c(C)oc2c1/C(=C/N[C@H](C)c1ccccc1)C(=O)c1ccccc1-2 ZINC000100289900 559192779 /nfs/dbraw/zinc/19/27/79/559192779.db2.gz YZAYQFMDZYOZEE-KWPCUBQOSA-N 0 0 401.462 5.320 50 30 HKEARN CCOC(=O)c1c(C)oc2c1C(=CNCCC1=CCCCC1)C(=O)c1ccccc1-2 ZINC000100289905 521400107 /nfs/dbraw/zinc/40/01/07/521400107.db2.gz FHRWQYPSTUXUNP-HKWRFOASSA-N 0 0 405.494 5.449 50 30 HKEARN CN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1cccc(C(F)(F)F)c1 ZINC000100291939 559193109 /nfs/dbraw/zinc/19/31/09/559193109.db2.gz POEJSVGYASAULC-CSRNMWFLSA-N 0 0 412.820 5.298 50 30 HKEARN CCCCCCCC(=O)OCc1cnc(C)c(O)c1COC(=O)CCCCCCC ZINC000100295310 559133819 /nfs/dbraw/zinc/13/38/19/559133819.db2.gz PAUSGZCRNOTKPK-UHFFFAOYSA-N 0 0 421.578 5.903 50 30 HKEARN CCCCCCCCCCCCSCCS(=O)(=O)OCC(F)(F)C(F)F ZINC000100295887 559133797 /nfs/dbraw/zinc/13/37/97/559133797.db2.gz OUSYJJKROZXERU-UHFFFAOYSA-N 0 0 424.566 5.887 50 30 HKEARN CCCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N/c1ccccc1 ZINC000100297115 559133808 /nfs/dbraw/zinc/13/38/08/559133808.db2.gz SXYOAJMEZSSOHM-KEWIZWJQSA-N 0 0 408.523 5.267 50 30 HKEARN Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100297270 559133810 /nfs/dbraw/zinc/13/38/10/559133810.db2.gz RDKAYXDRWCYVEP-DHRITJCHSA-N 0 0 404.853 6.103 50 30 HKEARN CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 ZINC000100298175 559193223 /nfs/dbraw/zinc/19/32/23/559193223.db2.gz DNCVZSRWGTUUNM-LRXZINBSSA-N 0 0 422.937 6.396 50 30 HKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000100298559 521316366 /nfs/dbraw/zinc/31/63/66/521316366.db2.gz INFMETJIXULXRF-CVKSISIWSA-N 0 0 414.461 5.848 50 30 HKEARN COc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000100298987 559133899 /nfs/dbraw/zinc/13/38/99/559133899.db2.gz MQUGRVACVCOHNY-AFUMVMLFSA-N 0 0 400.434 5.458 50 30 HKEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(Br)cc1 ZINC000100306886 559193697 /nfs/dbraw/zinc/19/36/97/559193697.db2.gz KZQNNFKNZUFTJA-VZCXRCSSSA-N 0 0 401.329 5.406 50 30 HKEARN CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)Br ZINC000100309266 519997253 /nfs/dbraw/zinc/99/72/53/519997253.db2.gz RBOQJHMBYJZWJL-UHFFFAOYSA-N 0 0 419.488 7.965 50 30 HKEARN CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C=O)cc1 ZINC000100309309 519996948 /nfs/dbraw/zinc/99/69/48/519996948.db2.gz DSTQLLFFZIANJD-UHFFFAOYSA-N 0 0 402.619 7.917 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2)cc1 ZINC000100309466 559134048 /nfs/dbraw/zinc/13/40/48/559134048.db2.gz WJPFTOGDAJEWPP-UHFFFAOYSA-N 0 0 422.697 9.994 50 30 HKEARN CCCCCCCCN1CCc2c1n1ncc(-c3ccc(OC)c(OC)c3)c1nc2C ZINC000100313010 559193929 /nfs/dbraw/zinc/19/39/29/559193929.db2.gz GKQVVONZSDPWRC-UHFFFAOYSA-N 0 0 422.573 5.445 50 30 HKEARN CC(C)N1C(=O)C(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000100322626 519664980 /nfs/dbraw/zinc/66/49/80/519664980.db2.gz GESSNCVQMRCEFI-BUVRLJJBSA-N 0 0 416.230 5.583 50 30 HKEARN C=CCN1C(=O)C(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 ZINC000100322638 559194423 /nfs/dbraw/zinc/19/44/23/559194423.db2.gz GVHSZCBAKKNBQS-BUVRLJJBSA-N 0 0 414.214 5.361 50 30 HKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1 ZINC000100322788 559194381 /nfs/dbraw/zinc/19/43/81/559194381.db2.gz BUSCTVFLVZSEQK-LBMUFILHSA-N 0 0 416.502 5.512 50 30 HKEARN COc1ccc(OC)c(NC=CC(=O)c2ccc3noc(-c4cccc(C)c4)c3c2)c1 ZINC000100331458 559195447 /nfs/dbraw/zinc/19/54/47/559195447.db2.gz YQNRRCMNZPGGQY-VAWYXSNFSA-N 0 0 414.461 5.629 50 30 HKEARN COc1ccc(NC=Cc2nc(C)c(C#N)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000100332669 559195420 /nfs/dbraw/zinc/19/54/20/559195420.db2.gz IIOWIQUJCUFXCR-VAWYXSNFSA-N 0 0 400.869 5.545 50 30 HKEARN N#Cc1c(-c2ccc(Cl)cc2)cn(Cc2ccc(F)cc2)c1/N=C/c1ccccc1 ZINC000100334224 559134238 /nfs/dbraw/zinc/13/42/38/559134238.db2.gz YFADLBDNTDZKLP-WKULSOCRSA-N 0 0 413.883 6.618 50 30 HKEARN COc1ccc(NC=Cc2onc(-c3c(Cl)cccc3Cl)c2C#N)c(OC)c1 ZINC000100335070 559195452 /nfs/dbraw/zinc/19/54/52/559195452.db2.gz BYGYINCQVTVXKJ-CMDGGOBGSA-N 0 0 416.264 5.620 50 30 HKEARN COc1ccc(C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1 ZINC000100338221 559195470 /nfs/dbraw/zinc/19/54/70/559195470.db2.gz QTLQKJJAHJCVIH-GDNBJRDFSA-N 0 0 417.305 5.024 50 30 HKEARN COc1ccc(/N=C/c2c3ccccc3n(C)c2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000100349690 559196183 /nfs/dbraw/zinc/19/61/83/559196183.db2.gz VNLPZOYKALLXAB-RWPZCVJISA-N 0 0 424.422 6.749 50 30 HKEARN COc1ccc(S(=O)(=O)Oc2ccc(/N=C\c3cccc4ccccc34)cc2)cc1 ZINC000100352040 558653983 /nfs/dbraw/zinc/65/39/83/558653983.db2.gz XZVIRAPTVAJNBJ-UQQQWYQISA-N 0 0 417.486 5.367 50 30 HKEARN COc1ccc(NC=CC(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1 ZINC000100364554 559196601 /nfs/dbraw/zinc/19/66/01/559196601.db2.gz IUFWHIIQQCCDEN-OUKQBFOZSA-N 0 0 411.860 5.875 50 30 HKEARN COc1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000100364562 559196670 /nfs/dbraw/zinc/19/66/70/559196670.db2.gz FLPYQDPVXZYOSQ-BUHFOSPRSA-N 0 0 411.860 5.875 50 30 HKEARN COc1cccc(-c2onc3ccc(C(=O)C=CNc4cc(F)ccc4C)cc32)c1 ZINC000100368705 559196755 /nfs/dbraw/zinc/19/67/55/559196755.db2.gz GWPBKCWCNQKDQD-ZHACJKMWSA-N 0 0 402.425 5.759 50 30 HKEARN O=c1[nH]c2ccc(/N=C/c3c(OCc4ccc(F)cc4)ccc4ccccc43)cc2[nH]1 ZINC000100384209 559134675 /nfs/dbraw/zinc/13/46/75/559134675.db2.gz MEGJGZVTFGGDMB-MZJWZYIUSA-N 0 0 411.436 5.478 50 30 HKEARN CCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000100384294 559134673 /nfs/dbraw/zinc/13/46/73/559134673.db2.gz BISJQSUETUHALV-WGOQTCKBSA-N 0 0 406.913 6.408 50 30 HKEARN CCCCCCCCCCCCSC(=S)C1C(=O)N(c2ccccc2)N=C1C ZINC000100384555 559134737 /nfs/dbraw/zinc/13/47/37/559134737.db2.gz GTYNBBMBURKOHS-UHFFFAOYSA-N 0 0 418.672 7.216 50 30 HKEARN N#Cc1c(C=CNc2ccccc2)snc1SCc1ccc(Cl)cc1Cl ZINC000100394305 559198549 /nfs/dbraw/zinc/19/85/49/559198549.db2.gz RIIWKWDNZRQXRK-CMDGGOBGSA-N 0 0 418.374 6.697 50 30 HKEARN O=C1/C(=N/c2ccc(Cl)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000100397421 559198538 /nfs/dbraw/zinc/19/85/38/559198538.db2.gz PCMLDZIFBZVLKA-LKUDQCMESA-N 0 0 415.707 6.314 50 30 HKEARN O=S(=O)(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000100397932 558743060 /nfs/dbraw/zinc/74/30/60/558743060.db2.gz MESJQFAORLPYCT-LPYMAVHISA-N 0 0 406.290 5.512 50 30 HKEARN O=C(Nc1ccccc1)C(N=Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1 ZINC000100401558 559199180 /nfs/dbraw/zinc/19/91/80/559199180.db2.gz BKJHVRGBMDPYHI-OYMPBZEMSA-N 0 0 412.280 6.141 50 30 HKEARN N#Cc1c(C=CNc2ccccc2)snc1SCc1c(Cl)cccc1Cl ZINC000100403908 559199179 /nfs/dbraw/zinc/19/91/79/559199179.db2.gz AJOFUSIQLQUTSU-MDZDMXLPSA-N 0 0 418.374 6.697 50 30 HKEARN Clc1ncc(Cn2cc(/C=N/Cc3ccc4c(c3)OCO4)c3ccccc32)s1 ZINC000100404601 559198974 /nfs/dbraw/zinc/19/89/74/559198974.db2.gz BIWMMYAQPUCNEH-NUGSKGIGSA-N 0 0 409.898 5.147 50 30 HKEARN N#Cc1c(C=CNc2ccccc2C(F)(F)F)onc1-c1c(Cl)cccc1Cl ZINC000100405989 559198980 /nfs/dbraw/zinc/19/89/80/559198980.db2.gz GQEIZUDMUHSGAI-CMDGGOBGSA-N 0 0 424.209 6.622 50 30 HKEARN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000100406418 559198978 /nfs/dbraw/zinc/19/89/78/559198978.db2.gz HDDQGOIJNHEHEE-BUHFOSPRSA-N 0 0 407.395 5.853 50 30 HKEARN O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccc1Cl ZINC000100406875 559198977 /nfs/dbraw/zinc/19/89/77/559198977.db2.gz JRZRSJHFVJCIKH-NHFJDJAPSA-N 0 0 414.814 6.026 50 30 HKEARN O=C(C=CNc1ccc(Cl)cc1F)c1ccccc1OCc1ccc(Cl)cc1 ZINC000100411337 527598317 /nfs/dbraw/zinc/59/83/17/527598317.db2.gz QHNCOTYHMHVUKA-VAWYXSNFSA-N 0 0 416.279 6.520 50 30 HKEARN Fc1ccc(F)c(C=NNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 ZINC000100411455 559199317 /nfs/dbraw/zinc/19/93/17/559199317.db2.gz WWPAACOFFJGJGO-IOXBOXJCSA-N 0 0 420.263 5.392 50 30 HKEARN O=S(=O)(Oc1ccc(/C=N/c2ccc(F)cc2F)cc1)c1ccc(Cl)cc1 ZINC000100411518 558771646 /nfs/dbraw/zinc/77/16/46/558771646.db2.gz NOBQRQIQWUVMIH-FSJBWODESA-N 0 0 407.825 5.137 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000100415535 559134874 /nfs/dbraw/zinc/13/48/74/559134874.db2.gz JRKSTYGKCXALFQ-DVECYGJZSA-N 0 0 403.481 5.382 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000100415538 559134899 /nfs/dbraw/zinc/13/48/99/559134899.db2.gz JRKSTYGKCXALFQ-CYFREDJKSA-N 0 0 403.481 5.382 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000100415542 559134885 /nfs/dbraw/zinc/13/48/85/559134885.db2.gz JRKSTYGKCXALFQ-NTKDMRAZSA-N 0 0 403.481 5.382 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000100415545 527132668 /nfs/dbraw/zinc/13/26/68/527132668.db2.gz JRKSTYGKCXALFQ-YADARESESA-N 0 0 403.481 5.382 50 30 HKEARN O=C(C=CNc1ccc(F)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100417305 527598158 /nfs/dbraw/zinc/59/81/58/527598158.db2.gz YPXNRRRCHXUBFE-VAWYXSNFSA-N 0 0 416.279 6.520 50 30 HKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000100417676 559135019 /nfs/dbraw/zinc/13/50/19/559135019.db2.gz FINOZFLXFJGKMG-XMMPIXPASA-N 0 0 403.481 5.655 50 30 HKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000100417679 559135006 /nfs/dbraw/zinc/13/50/06/559135006.db2.gz FINOZFLXFJGKMG-DEOSSOPVSA-N 0 0 403.481 5.655 50 30 HKEARN CSc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000100417683 559135031 /nfs/dbraw/zinc/13/50/31/559135031.db2.gz PGUFJVHWCUDSEB-FQEVSTJZSA-N 0 0 401.531 5.346 50 30 HKEARN CSc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000100417685 559135000 /nfs/dbraw/zinc/13/50/00/559135000.db2.gz PGUFJVHWCUDSEB-HXUWFJFHSA-N 0 0 401.531 5.346 50 30 HKEARN O=C(C=CNc1ccc(Cl)cc1)c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000100418378 527596188 /nfs/dbraw/zinc/59/61/88/527596188.db2.gz DHPFEEMSEVWDPJ-VAWYXSNFSA-N 0 0 416.279 6.520 50 30 HKEARN N#Cc1c(C=CNc2ccccc2)snc1SCc1c(F)cccc1Cl ZINC000100418419 559199269 /nfs/dbraw/zinc/19/92/69/559199269.db2.gz QPTMQWKURXMZCK-MDZDMXLPSA-N 0 0 401.919 6.182 50 30 HKEARN Nc1cc(Cl)c(Cl)cc1NC=CC(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000100424654 527450056 /nfs/dbraw/zinc/45/00/56/527450056.db2.gz XVASVSLBXXUMLM-AATRIKPKSA-N 0 0 424.740 6.161 50 30 HKEARN CC1(C)CC(=O)C(C(=S)Nc2ccc(F)cc2)=C(NCc2ccc(Cl)cc2)C1 ZINC000100424791 559135139 /nfs/dbraw/zinc/13/51/39/559135139.db2.gz VMBQOBAJJLJGIG-UHFFFAOYSA-N 0 0 416.949 5.651 50 30 HKEARN CCCCc1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 ZINC000100425216 559135100 /nfs/dbraw/zinc/13/51/00/559135100.db2.gz LEKWNWOPBGHHAL-UHFFFAOYSA-N 0 0 420.622 6.202 50 30 HKEARN COc1ccc(CNC2=C(C(=S)Nc3ccc(F)cc3)C(=O)CC(C)(C)C2)cc1 ZINC000100429948 559135320 /nfs/dbraw/zinc/13/53/20/559135320.db2.gz NYVQMOSPZRUBGK-UHFFFAOYSA-N 0 0 412.530 5.007 50 30 HKEARN CC(=O)c1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 ZINC000100430359 559135299 /nfs/dbraw/zinc/13/52/99/559135299.db2.gz CNNWPVBEQCSDQS-UHFFFAOYSA-N 0 0 406.551 5.062 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100431623 559135352 /nfs/dbraw/zinc/13/53/52/559135352.db2.gz BVOJDCQQRWMACO-WZONZLPQSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100431628 559135361 /nfs/dbraw/zinc/13/53/61/559135361.db2.gz BVOJDCQQRWMACO-JPYJTQIMSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100431633 559135359 /nfs/dbraw/zinc/13/53/59/559135359.db2.gz BVOJDCQQRWMACO-FDDCHVKYSA-N 0 0 421.924 5.265 50 30 HKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100431640 559135341 /nfs/dbraw/zinc/13/53/41/559135341.db2.gz BVOJDCQQRWMACO-MBSDFSHPSA-N 0 0 421.924 5.265 50 30 HKEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000100436104 559135363 /nfs/dbraw/zinc/13/53/63/559135363.db2.gz YENYUAVSTSFOAM-WCTVFOPTSA-N 0 0 417.464 6.295 50 30 HKEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000100436107 559135329 /nfs/dbraw/zinc/13/53/29/559135329.db2.gz YENYUAVSTSFOAM-PBBVDAKRSA-N 0 0 417.464 6.295 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000100436705 559135334 /nfs/dbraw/zinc/13/53/34/559135334.db2.gz QGDYQCDFXRMBEZ-UHFFFAOYSA-N 0 0 402.579 6.965 50 30 HKEARN O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000100436967 526941249 /nfs/dbraw/zinc/94/12/49/526941249.db2.gz SKDVXLOWFLNJGV-WRKLRJIISA-N 0 0 406.507 5.352 50 30 HKEARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000100437048 559202000 /nfs/dbraw/zinc/20/20/00/559202000.db2.gz FLHVPPZLQKSDTD-MKIITAJQSA-N 0 0 401.535 6.105 50 30 HKEARN O=c1c(C=[NH+]Cc2ccccc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100437551 559200740 /nfs/dbraw/zinc/20/07/40/559200740.db2.gz LDBOQPARRRXKEB-XYGWBWBKSA-N 0 0 410.502 5.061 50 30 HKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNCCc1cccc(Cl)c1 ZINC000100439319 559135343 /nfs/dbraw/zinc/13/53/43/559135343.db2.gz PROAJBIGGOSFHH-NTEUORMPSA-N 0 0 412.114 5.038 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000100439696 559200750 /nfs/dbraw/zinc/20/07/50/559200750.db2.gz SDRQLCWKYNSKTI-NHFXJNLRSA-N 0 0 423.390 5.332 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000100439703 559200718 /nfs/dbraw/zinc/20/07/18/559200718.db2.gz SDRQLCWKYNSKTI-YDJIHCHBSA-N 0 0 423.390 5.332 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000100439737 559200705 /nfs/dbraw/zinc/20/07/05/559200705.db2.gz HMLRNEOBKUDQNQ-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000100439744 559200762 /nfs/dbraw/zinc/20/07/62/559200762.db2.gz HMLRNEOBKUDQNQ-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000100439778 559200873 /nfs/dbraw/zinc/20/08/73/559200873.db2.gz ZXBSQTUOBKHKQB-NHFXJNLRSA-N 0 0 424.283 5.620 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000100439784 559200882 /nfs/dbraw/zinc/20/08/82/559200882.db2.gz ZXBSQTUOBKHKQB-YDJIHCHBSA-N 0 0 424.283 5.620 50 30 HKEARN CCCCCCCCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000100442807 559135337 /nfs/dbraw/zinc/13/53/37/559135337.db2.gz UQVSPYKRUUSUTK-UHFFFAOYSA-N 0 0 405.932 7.998 50 30 HKEARN CCOc1ccc([N-][NH+]=C2C=CC(=O)C(C=NNc3ccc([N+](=O)[O-])cc3)=C2)cc1 ZINC000100450828 559135502 /nfs/dbraw/zinc/13/55/02/559135502.db2.gz SNUXMOSHSNHEEG-BTRCZGFISA-N 0 0 405.414 5.561 50 30 HKEARN O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(F)c(Cl)c1 ZINC000100457309 558450898 /nfs/dbraw/zinc/45/08/98/558450898.db2.gz MTLRRJMMBZUJBG-WYMPLXKRSA-N 0 0 414.889 5.666 50 30 HKEARN Oc1ccc(/C=N/Cc2ccc(Cl)cc2)c(O)c1Cc1c(F)cccc1Cl ZINC000100460027 559135513 /nfs/dbraw/zinc/13/55/13/559135513.db2.gz XPLNYPYBSFXQMZ-BRJLIKDPSA-N 0 0 404.268 5.754 50 30 HKEARN O/N=C1/CCCc2cnc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)nc21 ZINC000100467917 559204138 /nfs/dbraw/zinc/20/41/38/559204138.db2.gz AQAVOAVBPYQIIX-USHMODERSA-N 0 0 413.399 5.256 50 30 HKEARN CCCCCCCCCCCCSc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000100474528 520013573 /nfs/dbraw/zinc/01/35/73/520013573.db2.gz JHFMHSMYVZDXLI-UHFFFAOYSA-N 0 0 418.668 7.532 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1Sc1ccccn1 ZINC000100474820 527326351 /nfs/dbraw/zinc/32/63/51/527326351.db2.gz STQYKYAQGSGIKR-SSDVNMTOSA-N 0 0 404.278 6.198 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1SCc1ccco1 ZINC000100475000 527325843 /nfs/dbraw/zinc/32/58/43/527325843.db2.gz UMUUKLOLWUUBJM-UFFVCSGVSA-N 0 0 407.278 6.538 50 30 HKEARN Clc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1Cl ZINC000100476758 559135583 /nfs/dbraw/zinc/13/55/83/559135583.db2.gz UGAXFBRRNXWQOZ-ZVHZXABRSA-N 0 0 401.293 5.841 50 30 HKEARN O=C(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100477216 526438977 /nfs/dbraw/zinc/43/89/77/526438977.db2.gz XZOPBDDXLRWNAI-DHRITJCHSA-N 0 0 414.339 5.583 50 30 HKEARN CCOc1ccc2c(c1)C(=O)C(=CNCCC(c1ccccc1)c1ccccc1)S2 ZINC000100479071 559207823 /nfs/dbraw/zinc/20/78/23/559207823.db2.gz BFXHRBPEMXFLGK-XIEYBQDHSA-N 0 0 415.558 6.027 50 30 HKEARN CC(C)[C@@]1(Br)CC[C@@H](C)/C(=C\c2ccc(Br)cc2)C1=O ZINC000100479727 519808338 /nfs/dbraw/zinc/80/83/38/519808338.db2.gz RTUCGFZPXUNQHQ-SMXWKSDWSA-N 0 0 400.154 5.621 50 30 HKEARN CC(C)[C@@]1(Br)CC[C@H](C)/C(=C\c2ccc(Br)cc2)C1=O ZINC000100479729 519808379 /nfs/dbraw/zinc/80/83/79/519808379.db2.gz RTUCGFZPXUNQHQ-WPXLOKBTSA-N 0 0 400.154 5.621 50 30 HKEARN CC(C)[C@]1(Br)CC[C@@H](C)/C(=C\c2ccc(Br)cc2)C1=O ZINC000100479732 559207870 /nfs/dbraw/zinc/20/78/70/559207870.db2.gz RTUCGFZPXUNQHQ-MXBGREKESA-N 0 0 400.154 5.621 50 30 HKEARN CC(C)[C@]1(Br)CC[C@H](C)/C(=C\c2ccc(Br)cc2)C1=O ZINC000100479734 559207839 /nfs/dbraw/zinc/20/78/39/559207839.db2.gz RTUCGFZPXUNQHQ-VLLKGGHDSA-N 0 0 400.154 5.621 50 30 HKEARN O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000100481186 559135634 /nfs/dbraw/zinc/13/56/34/559135634.db2.gz WBVBLQGLAFWIFD-ZUOQFLAMSA-N 0 0 418.453 5.188 50 30 HKEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100481626 526941841 /nfs/dbraw/zinc/94/18/41/526941841.db2.gz OLYOYBAFECCGND-BLFRMDKKSA-N 0 0 401.447 5.403 50 30 HKEARN CCCCCCCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F ZINC000100481882 559208547 /nfs/dbraw/zinc/20/85/47/559208547.db2.gz AITCDZSCNLCJJL-UHFFFAOYSA-N 0 0 413.449 6.190 50 30 HKEARN CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccccc3Cl)=C1NC2=O ZINC000100484168 559208559 /nfs/dbraw/zinc/20/85/59/559208559.db2.gz JLURWWIDCQKEEU-UHFFFAOYSA-N 0 0 420.921 5.279 50 30 HKEARN CCCCCCCCCc1noc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)n1 ZINC000100487480 559135690 /nfs/dbraw/zinc/13/56/90/559135690.db2.gz VOLKQFYENDBMNH-UHFFFAOYSA-N 0 0 418.625 8.429 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1 ZINC000100491132 559209866 /nfs/dbraw/zinc/20/98/66/559209866.db2.gz QFGUDXDZGCOTRC-GFMRDNFCSA-N 0 0 405.538 6.551 50 30 HKEARN CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 ZINC000100492308 559209923 /nfs/dbraw/zinc/20/99/23/559209923.db2.gz KYZDJPKHSCBOIB-NAHLOZMDSA-N 0 0 413.433 6.087 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C\C=C\c4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000100497763 559209805 /nfs/dbraw/zinc/20/98/05/559209805.db2.gz CSSBNEHCIJMZAA-GGAZBMJYSA-N 0 0 407.300 7.526 50 30 HKEARN CCN(CC)c1ccc(/C=N/c2c(C)c3ccc(N(CC)CC)cc3oc2=O)c(O)c1 ZINC000100500395 559135817 /nfs/dbraw/zinc/13/58/17/559135817.db2.gz PHPINWQYWMMFJS-WGOQTCKBSA-N 0 0 421.541 5.250 50 30 HKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Cl)cc1 ZINC000100500561 559135792 /nfs/dbraw/zinc/13/57/92/559135792.db2.gz DXAAPWWEPQQKIU-PNFLQUQDSA-N 0 0 413.955 5.500 50 30 HKEARN COc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 ZINC000100501273 559135797 /nfs/dbraw/zinc/13/57/97/559135797.db2.gz QYDCSEFSZADARP-FSJBWODESA-N 0 0 423.266 5.722 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000100501556 559135785 /nfs/dbraw/zinc/13/57/85/559135785.db2.gz ZJMXIYHLXZGJMG-AMKUCRCLSA-N 0 0 403.825 6.472 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000100501560 527383402 /nfs/dbraw/zinc/38/34/02/527383402.db2.gz GOHJFRTWBPGBMF-KMNHIJHVSA-N 0 0 403.825 6.472 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4c(O)cc(C)c(Cl)c4C)c3C)nc2c1 ZINC000100502234 559135800 /nfs/dbraw/zinc/13/58/00/559135800.db2.gz UUDLGOQNWBTCNN-RPPGKUMJSA-N 0 0 404.897 6.838 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3C)nc2c1 ZINC000100502235 559135765 /nfs/dbraw/zinc/13/57/65/559135765.db2.gz RANLLDUTEGYXFD-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3C)nc2c1 ZINC000100502237 559135775 /nfs/dbraw/zinc/13/57/75/559135775.db2.gz MEJISHGLLIWGEW-BHGWPJFGSA-N 0 0 415.405 5.499 50 30 HKEARN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000100502408 559135794 /nfs/dbraw/zinc/13/57/94/559135794.db2.gz JNUYZMHHDDUGLE-AFUMVMLFSA-N 0 0 409.401 6.012 50 30 HKEARN Cc1cc2nc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)oc2c(C)c1 ZINC000100502823 559135932 /nfs/dbraw/zinc/13/59/32/559135932.db2.gz JTSUTPTWUAVHHB-BHGWPJFGSA-N 0 0 415.405 5.499 50 30 HKEARN CCc1ccc2oc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000100502831 559135939 /nfs/dbraw/zinc/13/59/39/559135939.db2.gz LTTKHXRRIPMKNL-MLZQUUFASA-N 0 0 413.433 6.087 50 30 HKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 ZINC000100502926 559135919 /nfs/dbraw/zinc/13/59/19/559135919.db2.gz ASKREDZUGLOJGJ-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)c1 ZINC000100503040 559135903 /nfs/dbraw/zinc/13/59/03/559135903.db2.gz KUZIMWYRORLGOF-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4O)c3)oc2c1 ZINC000100503043 559135895 /nfs/dbraw/zinc/13/58/95/559135895.db2.gz NRPRAKQFKHPVLB-WYMPLXKRSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c1 ZINC000100503049 526241443 /nfs/dbraw/zinc/24/14/43/526241443.db2.gz YFCBEWHLZSCQCB-BHGWPJFGSA-N 0 0 415.405 5.499 50 30 HKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 ZINC000100503075 559135901 /nfs/dbraw/zinc/13/59/01/559135901.db2.gz UOXZZFZZOZVHNT-BHGWPJFGSA-N 0 0 415.405 5.499 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N\c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000100503085 559212244 /nfs/dbraw/zinc/21/22/44/559212244.db2.gz TZECKOVNVZCWJI-KSEXSDGBSA-N 0 0 412.232 6.460 50 30 HKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000100503088 559135945 /nfs/dbraw/zinc/13/59/45/559135945.db2.gz AHUDTIXONLYRJY-WYMPLXKRSA-N 0 0 405.841 6.424 50 30 HKEARN COc1ccc(-n2c(C)ns/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000100504657 559212205 /nfs/dbraw/zinc/21/22/05/559212205.db2.gz WMEGIPBQFLUAQC-MRAZZECGSA-N 0 0 414.534 5.238 50 30 HKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)ccc1Cl ZINC000100505816 527326433 /nfs/dbraw/zinc/32/64/33/527326433.db2.gz XBEQKOWWUQXTOB-FOKLQQMPSA-N 0 0 412.232 6.460 50 30 HKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1O ZINC000100505820 559135879 /nfs/dbraw/zinc/13/58/79/559135879.db2.gz JUZHMUCBQSKXFC-FOKLQQMPSA-N 0 0 424.254 5.117 50 30 HKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000100506272 559212208 /nfs/dbraw/zinc/21/22/08/559212208.db2.gz QUWFOUHCMBMNPO-FSJBWODESA-N 0 0 407.451 5.426 50 30 HKEARN Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)ccc3O)cc2)c1 ZINC000100507130 559135979 /nfs/dbraw/zinc/13/59/79/559135979.db2.gz OHYDWUFHUGFITJ-YDZHTSKRSA-N 0 0 409.283 5.466 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000100507137 559135959 /nfs/dbraw/zinc/13/59/59/559135959.db2.gz KBMZOXKIZJPBLX-AMKUCRCLSA-N 0 0 403.825 6.472 50 30 HKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000100507615 559135952 /nfs/dbraw/zinc/13/59/52/559135952.db2.gz XAVDPSODIZHWJR-FOKLQQMPSA-N 0 0 411.230 5.853 50 30 HKEARN CN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000100507970 522136255 /nfs/dbraw/zinc/13/62/55/522136255.db2.gz XSJDPNYWLVPIJN-VUTHCHCSSA-N 0 0 404.513 6.789 50 30 HKEARN Cc1cccc(N2C(=O)C[C@H](SC(=Nc3ccccc3)Nc3ccccc3)C2=O)c1 ZINC000100511122 559136065 /nfs/dbraw/zinc/13/60/65/559136065.db2.gz GPPXCGOIFIIHAR-NRFANRHFSA-N 0 0 415.518 5.160 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000100515462 559215764 /nfs/dbraw/zinc/21/57/64/559215764.db2.gz RKHYYSYTNKAJQZ-GOSISDBHSA-N 0 0 422.352 5.551 50 30 HKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100515467 559215713 /nfs/dbraw/zinc/21/57/13/559215713.db2.gz RKHYYSYTNKAJQZ-SFHVURJKSA-N 0 0 422.352 5.551 50 30 HKEARN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5Cl)o4)cc3)nc2c1 ZINC000100517786 524085786 /nfs/dbraw/zinc/08/57/86/524085786.db2.gz FQKXMZVMYYAZDH-JFLMPSFJSA-N 0 0 412.876 7.467 50 30 HKEARN COc1ccc(N2C(SC)=N/C(=N\c3c(C)cccc3C)C23CCCCC3)cc1 ZINC000100520999 559217173 /nfs/dbraw/zinc/21/71/73/559217173.db2.gz AOVAGBLMBJJJBQ-LVWGJNHUSA-N 0 0 407.583 6.284 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000100524146 525823395 /nfs/dbraw/zinc/82/33/95/525823395.db2.gz JKANPCXASWRTNW-MLZQUUFASA-N 0 0 417.852 6.781 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2/N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 ZINC000100524148 559218014 /nfs/dbraw/zinc/21/80/14/559218014.db2.gz HXDZUZDMLIZLTK-HEHNFIMWSA-N 0 0 422.481 5.679 50 30 HKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1 ZINC000100529850 559136157 /nfs/dbraw/zinc/13/61/57/559136157.db2.gz IXNGZRCWYHLWFJ-PNFLQUQDSA-N 0 0 413.955 5.500 50 30 HKEARN Cc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000100531383 559136180 /nfs/dbraw/zinc/13/61/80/559136180.db2.gz KNOUUNMDVWYQCP-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000100537200 559136278 /nfs/dbraw/zinc/13/62/78/559136278.db2.gz KZEIIGANORVYOA-STBIYBPSSA-N 0 0 422.459 6.681 50 30 HKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000100540186 559136254 /nfs/dbraw/zinc/13/62/54/559136254.db2.gz ZWNFJOVPPQBLIH-UHFFFAOYSA-N 0 0 408.612 5.017 50 30 HKEARN CCCCCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000100540421 559223755 /nfs/dbraw/zinc/22/37/55/559223755.db2.gz ZTDSBMLUPNZLKZ-ZPHPHTNESA-N 0 0 419.612 5.572 50 30 HKEARN CCCCCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000100544105 559136275 /nfs/dbraw/zinc/13/62/75/559136275.db2.gz IKKOEFAXERCDOM-ZOVQAKDCSA-N 0 0 401.550 5.413 50 30 HKEARN CCCCCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000100544107 559136378 /nfs/dbraw/zinc/13/63/78/559136378.db2.gz IKKOEFAXERCDOM-ZCOIRKDISA-N 0 0 401.550 5.413 50 30 HKEARN CCCCCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000100544110 559136369 /nfs/dbraw/zinc/13/63/69/559136369.db2.gz IKKOEFAXERCDOM-PGAZUGQPSA-N 0 0 401.550 5.413 50 30 HKEARN CCCCCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000100544113 559136390 /nfs/dbraw/zinc/13/63/90/559136390.db2.gz IKKOEFAXERCDOM-AYIBLLACSA-N 0 0 401.550 5.413 50 30 HKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1 ZINC000100547725 559223936 /nfs/dbraw/zinc/22/39/36/559223936.db2.gz RAWXHPRRHBVWKR-PYCFMQQDSA-N 0 0 411.567 6.612 50 30 HKEARN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000100550684 559136374 /nfs/dbraw/zinc/13/63/74/559136374.db2.gz JWRKRPFCABLNRW-PTNGSMBKSA-N 0 0 409.121 5.800 50 30 HKEARN O=C1C(=NN=c2[nH]c(-c3ccccc3)cs2)C(c2ccccc2)=NN1c1ccccc1 ZINC000100557577 559136477 /nfs/dbraw/zinc/13/64/77/559136477.db2.gz WQADAEJRFNYVKN-XTCLZLMSSA-N 0 0 423.501 5.029 50 30 HKEARN Cc1ccc(C(=O)C=C(Nc2cc(Cl)ccc2O)C(=O)c2ccc(C)cc2)cc1 ZINC000100558736 559226250 /nfs/dbraw/zinc/22/62/50/559226250.db2.gz KMOZFHORYTXUEY-STZFKDTASA-N 0 0 405.881 5.724 50 30 HKEARN CCCCCCCCSc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000100566249 559227738 /nfs/dbraw/zinc/22/77/38/559227738.db2.gz YKQVZYSJWFGJTI-UHFFFAOYSA-N 0 0 411.699 9.104 50 30 HKEARN CCCCCCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000100573127 559230706 /nfs/dbraw/zinc/23/07/06/559230706.db2.gz LQYFWWOJOQWYQD-NRFANRHFSA-N 0 0 420.384 5.933 50 30 HKEARN CCCCCCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000100573129 559230711 /nfs/dbraw/zinc/23/07/11/559230711.db2.gz LQYFWWOJOQWYQD-OAQYLSRUSA-N 0 0 420.384 5.933 50 30 HKEARN CCCCCCCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000100600747 559136886 /nfs/dbraw/zinc/13/68/86/559136886.db2.gz QWJQTSQEZNSLLU-UHFFFAOYSA-N 0 0 422.638 7.399 50 30 HKEARN O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000100602142 559240545 /nfs/dbraw/zinc/24/05/45/559240545.db2.gz QNEZNLULZBKVNY-BZTNSOLFSA-N 0 0 407.886 6.517 50 30 HKEARN CCCCCCCCCCCCSC(=NCc1ccc(C)cc1)Nc1ccccc1 ZINC000100604122 559136939 /nfs/dbraw/zinc/13/69/39/559136939.db2.gz OBOJOQCGMMJZCX-UHFFFAOYSA-N 0 0 424.698 8.426 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000100633885 520257026 /nfs/dbraw/zinc/25/70/26/520257026.db2.gz HPHHTUQEPDRQMW-IBGZPJMESA-N 0 0 423.434 5.643 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000100633886 559137194 /nfs/dbraw/zinc/13/71/94/559137194.db2.gz HPHHTUQEPDRQMW-LJQANCHMSA-N 0 0 423.434 5.643 50 30 HKEARN O=C1CC(c2ccccc2)CC(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000100641745 526961496 /nfs/dbraw/zinc/96/14/96/526961496.db2.gz JDYOEWLDRQIVMS-UHFFFAOYSA-N 0 0 409.529 5.398 50 30 HKEARN CCCCCCCCOc1cc2c(cc1OCCCCCCCC)C(=N)NC2=N ZINC000100651763 559137406 /nfs/dbraw/zinc/13/74/06/559137406.db2.gz BSEHMIIRKOOGMD-UHFFFAOYSA-N 0 0 401.595 6.419 50 30 HKEARN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N\Cc1ccccc1 ZINC000100666128 559251372 /nfs/dbraw/zinc/25/13/72/559251372.db2.gz QHMFHJZRVHGPOU-PKAZHMFMSA-N 0 0 405.457 5.265 50 30 HKEARN CC(N=Nc1nc2ccccc2n1Cc1ccccc1)N=Nc1cccc2c1NCC=N2 ZINC000100674304 519348784 /nfs/dbraw/zinc/34/87/84/519348784.db2.gz NQTYTZYHTAXTPH-IFVJPHPOSA-N 0 0 422.496 5.742 50 30 HKEARN Cc1ccc(NC(=O)NC(O/N=C(/Cl)C(C)C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000100676062 559255312 /nfs/dbraw/zinc/25/53/12/559255312.db2.gz SAERYWTWYMCHLZ-OPEKNORGSA-N 0 0 419.753 5.162 50 30 HKEARN Cc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/c2cccc(Cl)c2)cc1 ZINC000100676713 559254507 /nfs/dbraw/zinc/25/45/07/559254507.db2.gz FEMIVWJOJWTMDM-AFUMVMLFSA-N 0 0 402.885 5.459 50 30 HKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(C)cc2)C12CCCCC2 ZINC000100683522 559256271 /nfs/dbraw/zinc/25/62/71/559256271.db2.gz NPNYIDUYUOAYQA-RWEWTDSWSA-N 0 0 405.611 6.838 50 30 HKEARN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@H]2O[C@]23C)c1 ZINC000100684689 569359229 /nfs/dbraw/zinc/35/92/29/569359229.db2.gz CSMZFWICBSTSSS-LVBIXKBISA-N 0 0 414.542 5.090 50 30 HKEARN CCCCCCCCCCCCCCCCn1c(=S)[nH]c2c1c(=O)[nH]c(=O)n2C ZINC000100684942 559256274 /nfs/dbraw/zinc/25/62/74/559256274.db2.gz NDJRRAUDNZCKEC-UHFFFAOYSA-N 0 0 422.639 5.193 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000100686342 517554044 /nfs/dbraw/zinc/55/40/44/517554044.db2.gz MQMXWCNYHQFBRS-UHFFFAOYSA-N 0 0 420.681 9.798 50 30 HKEARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100688900 527331231 /nfs/dbraw/zinc/33/12/31/527331231.db2.gz NRTNVBVDGFFOPA-UHFFFAOYSA-N 0 0 416.243 6.387 50 30 HKEARN O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000100692450 559257133 /nfs/dbraw/zinc/25/71/33/559257133.db2.gz LYJLPGHUQOOJAS-UHFFFAOYSA-N 0 0 417.277 5.012 50 30 HKEARN C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCCCCC ZINC000100692947 559137957 /nfs/dbraw/zinc/13/79/57/559137957.db2.gz UTWSKLVVXUYXNO-UHFFFAOYSA-N 0 0 420.623 5.012 50 30 HKEARN CCCCCCCCCCCCCCCCOc1nc(NCC)nc(NCC)n1 ZINC000100697410 520001864 /nfs/dbraw/zinc/00/18/64/520001864.db2.gz JEHJJDSDWKICAK-UHFFFAOYSA-N 0 0 407.647 6.595 50 30 HKEARN CCCCCCCCCCCCNC(=O)C(=O)NCCCCCCCCCCCC ZINC000100697686 559257268 /nfs/dbraw/zinc/25/72/68/559257268.db2.gz WHQSLMYNWIIFHX-UHFFFAOYSA-N 0 0 424.714 7.061 50 30 HKEARN CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000100699629 559257257 /nfs/dbraw/zinc/25/72/57/559257257.db2.gz FNBZCGOLBZFFLA-FVJYTRCDSA-N 0 0 412.405 5.533 50 30 HKEARN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000100699633 559257391 /nfs/dbraw/zinc/25/73/91/559257391.db2.gz FNBZCGOLBZFFLA-GPWMFUPLSA-N 0 0 412.405 5.533 50 30 HKEARN CCCCCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100701319 559257562 /nfs/dbraw/zinc/25/75/62/559257562.db2.gz AFANIPMFKLJSKR-DTQAZKPQSA-N 0 0 424.492 5.395 50 30 HKEARN Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccc(Cl)cc3)c(=O)n2c1 ZINC000100703310 559138122 /nfs/dbraw/zinc/13/81/22/559138122.db2.gz NXVJKCJTVQLMQF-AFUMVMLFSA-N 0 0 402.885 5.019 50 30 HKEARN Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/c3ccc(Cl)cc3)c(=O)n2c1 ZINC000100703488 559138093 /nfs/dbraw/zinc/13/80/93/559138093.db2.gz PKJCEFXWDHYIHI-BRJLIKDPSA-N 0 0 423.303 5.804 50 30 HKEARN Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3cccc(Cl)c3)c(=O)n2c1 ZINC000100703696 526254372 /nfs/dbraw/zinc/25/43/72/526254372.db2.gz OXHWKVAIRPBADJ-AFUMVMLFSA-N 0 0 402.885 5.019 50 30 HKEARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1N=Cc1ccccc1O ZINC000100703757 559258234 /nfs/dbraw/zinc/25/82/34/559258234.db2.gz QZSLLCZUUWFWFK-ZMOGYAJESA-N 0 0 419.278 5.826 50 30 HKEARN COc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(Cl)cc2)cc1 ZINC000100704192 559258612 /nfs/dbraw/zinc/25/86/12/559258612.db2.gz KCUMGRLRUOQAQD-AFUMVMLFSA-N 0 0 418.884 5.159 50 30 HKEARN CCCCCCCCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000100707791 559259272 /nfs/dbraw/zinc/25/92/72/559259272.db2.gz POXWMEIHPFTDJD-RVDMUPIBSA-N 0 0 405.365 7.629 50 30 HKEARN C=CCN1C(=O)/C(=C/C=C2/Sc3ccc4sccc4c3N2CC)SC1=S ZINC000100717949 518822144 /nfs/dbraw/zinc/82/21/44/518822144.db2.gz JGUGGMLXMUEWOJ-BSHIDLADSA-N 0 0 416.618 5.605 50 30 HKEARN C=CCN1C(=O)/C(=C/C=C2/Sc3c(ccc4c3CCCC4)N2CC)SC1=S ZINC000100717975 559259606 /nfs/dbraw/zinc/25/96/06/559259606.db2.gz PFPZBDLIPLGCQN-MJZABRMRSA-N 0 0 414.621 5.269 50 30 HKEARN CCCCCCCCCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000100723202 571317808 /nfs/dbraw/zinc/31/78/08/571317808.db2.gz KAHCDTLJRJPAEL-UHFFFAOYSA-N 0 0 416.631 6.434 50 30 HKEARN CCCCCCCCCCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC ZINC000100723349 519985315 /nfs/dbraw/zinc/98/53/15/519985315.db2.gz OPRUDRUVMUBMMG-UHFFFAOYSA-N 0 0 407.595 5.801 50 30 HKEARN Br/C(=C/c1ccccc1)C/C=N/c1ccccc1-c1nc2ccccc2[nH]1 ZINC000100723996 559260069 /nfs/dbraw/zinc/26/00/69/559260069.db2.gz CJWCXUXQYVGGGY-OVSBSPABSA-N 0 0 416.322 6.758 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000100726595 559138550 /nfs/dbraw/zinc/13/85/50/559138550.db2.gz ZAPANJDPBAYATR-QGZVFWFLSA-N 0 0 402.834 6.273 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)Cl ZINC000100726597 559138518 /nfs/dbraw/zinc/13/85/18/559138518.db2.gz ZAPANJDPBAYATR-KRWDZBQOSA-N 0 0 402.834 6.273 50 30 HKEARN CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1 ZINC000100727700 559260153 /nfs/dbraw/zinc/26/01/53/559260153.db2.gz DPCYBKNIAFUUCS-YZSQISJMSA-N 0 0 411.461 5.377 50 30 HKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H](C)O ZINC000100729035 559260122 /nfs/dbraw/zinc/26/01/22/559260122.db2.gz WILFVODEZMIOLL-XMMPIXPASA-N 0 0 414.678 8.351 50 30 HKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H](C)O ZINC000100729038 519997567 /nfs/dbraw/zinc/99/75/67/519997567.db2.gz WILFVODEZMIOLL-DEOSSOPVSA-N 0 0 414.678 8.351 50 30 HKEARN CCCCCCCCCCCCOC(=O)CCCCSc1ncnc2[nH]cnc21 ZINC000100730180 520012413 /nfs/dbraw/zinc/01/24/13/520012413.db2.gz NRZMPCGTFVKNDT-UHFFFAOYSA-N 0 0 420.623 6.079 50 30 HKEARN CCCCCCCCCCNC(=O)COCC(=O)NCCCCCCCCCC ZINC000100730559 571317793 /nfs/dbraw/zinc/31/77/93/571317793.db2.gz RCNXXLWQBGWVSL-UHFFFAOYSA-N 0 0 412.659 5.517 50 30 HKEARN CCCCCCCSCCSCCSCCSCCCCCCC ZINC000100730580 571317827 /nfs/dbraw/zinc/31/78/27/571317827.db2.gz ZXUFWWMOLJXXND-UHFFFAOYSA-N 0 0 410.824 7.860 50 30 HKEARN CCCCCCCCCC(=O)c1cc(CCCCCC)c(OCCCC)cc1O ZINC000100730597 571317811 /nfs/dbraw/zinc/31/78/11/571317811.db2.gz DOEZZFKVUBSQAA-UHFFFAOYSA-N 0 0 404.635 8.017 50 30 HKEARN CCCCCCCCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1O ZINC000100730653 571317834 /nfs/dbraw/zinc/31/78/34/571317834.db2.gz CYAOZLGYCHGXKD-UHFFFAOYSA-N 0 0 410.598 7.855 50 30 HKEARN CCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000100734646 559138742 /nfs/dbraw/zinc/13/87/42/559138742.db2.gz QIKSPRSNBNVIRV-HHHXNRCGSA-N 0 0 407.642 7.788 50 30 HKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000100734650 559138768 /nfs/dbraw/zinc/13/87/68/559138768.db2.gz QIKSPRSNBNVIRV-MHZLTWQESA-N 0 0 407.642 7.788 50 30 HKEARN O=C1C[C@H](c2ccccc2)CC(NCc2ccccc2)=C1C(=S)Nc1ccccc1 ZINC000100739699 559139174 /nfs/dbraw/zinc/13/91/74/559139174.db2.gz ORNDZCOMLQRTPS-OAQYLSRUSA-N 0 0 412.558 5.617 50 30 HKEARN O=C1C[C@@H](c2ccccc2)CC(NCc2ccccc2)=C1C(=S)Nc1ccccc1 ZINC000100739701 559139199 /nfs/dbraw/zinc/13/91/99/559139199.db2.gz ORNDZCOMLQRTPS-NRFANRHFSA-N 0 0 412.558 5.617 50 30 HKEARN COc1ccccc1C/N=C\c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000100748496 559262033 /nfs/dbraw/zinc/26/20/33/559262033.db2.gz FJEBXNXDAVZISJ-QFEZKATASA-N 0 0 420.465 5.119 50 30 HKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1cccc(Cl)c1)C(=O)c1ccccc1-2 ZINC000100752534 559262590 /nfs/dbraw/zinc/26/25/90/559262590.db2.gz ZLGNXQDIPZCPQZ-PDGQHHTCSA-N 0 0 407.853 5.734 50 30 HKEARN CCCCCCCCCCCc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000100754348 559263551 /nfs/dbraw/zinc/26/35/51/559263551.db2.gz WUSYQPUEBAXLML-UHFFFAOYSA-N 0 0 403.548 5.592 50 30 HKEARN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1 ZINC000100761023 520287314 /nfs/dbraw/zinc/28/73/14/520287314.db2.gz ZZURGLVLOGGSOR-DCMBZTQJSA-N 0 0 411.889 5.599 50 30 HKEARN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 ZINC000100761026 559264746 /nfs/dbraw/zinc/26/47/46/559264746.db2.gz ZZURGLVLOGGSOR-PNUJLQCPSA-N 0 0 411.889 5.599 50 30 HKEARN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 ZINC000100761030 559264821 /nfs/dbraw/zinc/26/48/21/559264821.db2.gz ZZURGLVLOGGSOR-AHRHJCDGSA-N 0 0 411.889 5.599 50 30 HKEARN CC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000100765817 559265069 /nfs/dbraw/zinc/26/50/69/559265069.db2.gz REKSWJJWCCQHDP-XTCLZLMSSA-N 0 0 413.506 5.041 50 30 HKEARN C=CCn1c(-c2ccc(OCC)cc2)c(C)s/c1=N/c1cccc2ccccc21 ZINC000100787740 519149964 /nfs/dbraw/zinc/14/99/64/519149964.db2.gz JRFSLVQOVYYMMO-OCEACIFDSA-N 0 0 400.547 6.495 50 30 HKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1cccc2ccccc21 ZINC000100811433 559268975 /nfs/dbraw/zinc/26/89/75/559268975.db2.gz SSGFJPXUOWTRHW-ZNTNEXAZSA-N 0 0 421.363 6.551 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCC)cc1 ZINC000100813088 519982031 /nfs/dbraw/zinc/98/20/31/519982031.db2.gz DEYVPIUBZIQUHB-UHFFFAOYSA-N 0 0 406.592 5.597 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1 ZINC000100813094 569013023 /nfs/dbraw/zinc/01/30/23/569013023.db2.gz MOMAGBVGEAHGDO-UHFFFAOYSA-N 0 0 405.608 5.403 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000100813102 519980882 /nfs/dbraw/zinc/98/08/82/519980882.db2.gz YTWPGYGRSKHYIV-UHFFFAOYSA-N 0 0 402.526 6.439 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000100813157 519977399 /nfs/dbraw/zinc/97/73/99/519977399.db2.gz OWUSKHICEDVIBN-FQEVSTJZSA-N 0 0 422.569 6.223 50 30 HKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000100813161 569013035 /nfs/dbraw/zinc/01/30/35/569013035.db2.gz OWUSKHICEDVIBN-HXUWFJFHSA-N 0 0 422.569 6.223 50 30 HKEARN COc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000100813224 559269068 /nfs/dbraw/zinc/26/90/68/559269068.db2.gz MZAWRRKMSHXSEL-ZVHZXABRSA-N 0 0 404.560 6.663 50 30 HKEARN Oc1ccc(Cl)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000100813229 559269145 /nfs/dbraw/zinc/26/91/45/559269145.db2.gz LJBSSOSVFRKULX-WYMPLXKRSA-N 0 0 424.978 7.013 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)N(C)Cc1ccccc1 ZINC000100813319 569013008 /nfs/dbraw/zinc/01/30/08/569013008.db2.gz NOLBSGNQXUNILR-UHFFFAOYSA-N 0 0 416.694 8.090 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100813367 569013009 /nfs/dbraw/zinc/01/30/09/569013009.db2.gz CKZLFTBGEWEPAP-UHFFFAOYSA-N 0 0 413.971 5.982 50 30 HKEARN CCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2[nH]1 ZINC000100813481 559141041 /nfs/dbraw/zinc/14/10/41/559141041.db2.gz GFKCPQFKWRDCLN-UHFFFAOYSA-N 0 0 404.620 6.899 50 30 HKEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2cccc(Cl)c2)cc1 ZINC000100815172 525968789 /nfs/dbraw/zinc/96/87/89/525968789.db2.gz LZPSNUXBZOPIIF-AFUMVMLFSA-N 0 0 402.885 5.459 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)CC(=O)Nc1ccc(OC)cc1 ZINC000100815695 558827110 /nfs/dbraw/zinc/82/71/10/558827110.db2.gz NDOSNAYLZYTHQD-UHFFFAOYSA-N 0 0 403.607 7.074 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000100815779 559141040 /nfs/dbraw/zinc/14/10/40/559141040.db2.gz QVLMROVFRNSXAM-UHFFFAOYSA-N 0 0 423.663 6.900 50 30 HKEARN CCCCCCCCCCCCCCC[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000100815850 571317814 /nfs/dbraw/zinc/31/78/14/571317814.db2.gz QUTAOQWFALAOIL-JOCHJYFZSA-N 0 0 411.608 6.544 50 30 HKEARN CCCCCCCCCCCCCCC[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000100815852 571317805 /nfs/dbraw/zinc/31/78/05/571317805.db2.gz QUTAOQWFALAOIL-QFIPXVFZSA-N 0 0 411.608 6.544 50 30 HKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(NN)cc1 ZINC000100815898 571317810 /nfs/dbraw/zinc/31/78/10/571317810.db2.gz LCHGMHBZTMFCAX-UHFFFAOYSA-N 0 0 411.656 5.732 50 30 HKEARN Cc1ccc(C(NN=c2[nH]c3ccccc3s2)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000100816331 559269140 /nfs/dbraw/zinc/26/91/40/559269140.db2.gz GCCMDXKKILJDQV-QLYXXIJNSA-N 0 0 411.486 5.587 50 30 HKEARN CCCCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000100816434 559269158 /nfs/dbraw/zinc/26/91/58/559269158.db2.gz WPAGSSBNDGAQBY-XDHOZWIPSA-N 0 0 423.553 6.255 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1NC(C)=O ZINC000100816612 569013031 /nfs/dbraw/zinc/01/30/31/569013031.db2.gz LCRABOKLAPSBTC-UHFFFAOYSA-N 0 0 403.651 8.285 50 30 HKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(Cl)c1 ZINC000100829206 560759452 /nfs/dbraw/zinc/75/94/52/560759452.db2.gz QGRBZAFZOYKYHK-DAFNUICNSA-N 0 0 412.002 6.929 50 30 HKEARN CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CC(C)C)C2=O)C1=O ZINC000100833469 569283745 /nfs/dbraw/zinc/28/37/45/569283745.db2.gz AJZAAJKGCBRPAA-HNENSFHCSA-N 0 0 416.612 5.231 50 30 HKEARN CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCC)C2=O)C1=O ZINC000100833491 559141151 /nfs/dbraw/zinc/14/11/51/559141151.db2.gz IXAMQIJKSVLYIM-HNENSFHCSA-N 0 0 416.612 5.375 50 30 HKEARN CCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100839413 520064700 /nfs/dbraw/zinc/06/47/00/520064700.db2.gz YQDAXRFMGYIQDW-KVYREEOHSA-N 0 0 407.554 6.510 50 30 HKEARN CCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100839415 520064797 /nfs/dbraw/zinc/06/47/97/520064797.db2.gz YQDAXRFMGYIQDW-GUKAZZPRSA-N 0 0 407.554 6.510 50 30 HKEARN CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)Oc3ccccc3)c(OC)c2)cc1 ZINC000100847517 560759850 /nfs/dbraw/zinc/75/98/50/560759850.db2.gz APMCFPIOMZIWQG-PCLIKHOPSA-N 0 0 419.433 5.200 50 30 HKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100852051 560760265 /nfs/dbraw/zinc/76/02/65/560760265.db2.gz OYCDJDJTZOJBEU-WYMPLXKRSA-N 0 0 411.523 5.177 50 30 HKEARN CCCCCCCCCCCCCCc1sc(N)nc1-c1ccc(OC)cc1 ZINC000100852829 569013084 /nfs/dbraw/zinc/01/30/84/569013084.db2.gz PDBHOIXWNQRQMP-UHFFFAOYSA-N 0 0 402.648 7.645 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1F ZINC000100852887 569013050 /nfs/dbraw/zinc/01/30/50/569013050.db2.gz YCUHEFGDBBDGGH-UHFFFAOYSA-N 0 0 406.630 8.209 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1 ZINC000100852889 569013059 /nfs/dbraw/zinc/01/30/59/569013059.db2.gz WXHGQPOOSRXKGB-UHFFFAOYSA-N 0 0 406.630 8.209 50 30 HKEARN CCCCCCCCCCCCCCCc1cc(Cl)c2cc(OC)ccc2n1 ZINC000100853411 559141319 /nfs/dbraw/zinc/14/13/19/559141319.db2.gz UDQLXTMHDWSIMX-UHFFFAOYSA-N 0 0 404.038 8.531 50 30 HKEARN CCCCCCCCCCCCCCCCCCSc1ccc2ccccc2n1 ZINC000100853428 569013106 /nfs/dbraw/zinc/01/31/06/569013106.db2.gz DJBPSUZFRPSUEE-UHFFFAOYSA-N 0 0 413.715 9.588 50 30 HKEARN CCCCCCCCCCCCCCCc1ccc(-c2nnc(SC)s2)cc1 ZINC000100853520 520005036 /nfs/dbraw/zinc/00/50/36/520005036.db2.gz ITFOZMUUWPLCLO-UHFFFAOYSA-N 0 0 418.716 8.561 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccccc1O ZINC000100854900 518467119 /nfs/dbraw/zinc/46/71/19/518467119.db2.gz PYHYGDFUCWUCPG-UVHMKAGCSA-N 0 0 423.303 6.145 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(OC)c1 ZINC000100855513 519994176 /nfs/dbraw/zinc/99/41/76/519994176.db2.gz FNWQSBOQLGSUIA-UHFFFAOYSA-N 0 0 418.666 8.078 50 30 HKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100855547 560760254 /nfs/dbraw/zinc/76/02/54/560760254.db2.gz YNVONKQEARSDBH-QCCZVWFUSA-N 0 0 421.581 6.900 50 30 HKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100855548 560760284 /nfs/dbraw/zinc/76/02/84/560760284.db2.gz YNVONKQEARSDBH-ONNMZWHZSA-N 0 0 421.581 6.900 50 30 HKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(OC)cc1)C(=O)c1ccccc1-2 ZINC000100856133 560760287 /nfs/dbraw/zinc/76/02/87/560760287.db2.gz BVRXJXVZQOZYGF-UYRXBGFRSA-N 0 0 403.434 5.090 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(C)c1 ZINC000100856162 569013116 /nfs/dbraw/zinc/01/31/16/569013116.db2.gz NWWWLJGBWBYDJY-UHFFFAOYSA-N 0 0 402.667 8.378 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000100856181 569013109 /nfs/dbraw/zinc/01/31/09/569013109.db2.gz HBAVCLDRBKVZEX-UHFFFAOYSA-N 0 0 423.085 8.723 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1 ZINC000100856210 519994011 /nfs/dbraw/zinc/99/40/11/519994011.db2.gz PNUBGRZSKZFJBL-UHFFFAOYSA-N 0 0 402.667 8.378 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1C ZINC000100856214 569013097 /nfs/dbraw/zinc/01/30/97/569013097.db2.gz BDVQQGINICEIFP-UHFFFAOYSA-N 0 0 416.694 8.686 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1C ZINC000100856217 519995451 /nfs/dbraw/zinc/99/54/51/519995451.db2.gz LNSRVLNHHZYYKZ-UHFFFAOYSA-N 0 0 402.667 8.378 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(C)c1C ZINC000100856245 569013112 /nfs/dbraw/zinc/01/31/12/569013112.db2.gz KYAJNKPGVXKWRG-UHFFFAOYSA-N 0 0 416.694 8.686 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(Cl)c1 ZINC000100856261 519995143 /nfs/dbraw/zinc/99/51/43/519995143.db2.gz AYNOFAQALQOCAX-UHFFFAOYSA-N 0 0 423.085 8.723 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1 ZINC000100856263 519994394 /nfs/dbraw/zinc/99/43/94/519994394.db2.gz XBAHFVAWFJVCJV-UHFFFAOYSA-N 0 0 418.666 8.078 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1OC ZINC000100856278 569013148 /nfs/dbraw/zinc/01/31/48/569013148.db2.gz JETCITWUUFTEPE-UHFFFAOYSA-N 0 0 418.666 8.078 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100856324 560760259 /nfs/dbraw/zinc/76/02/59/560760259.db2.gz SSJPDCKMAINEQR-PYCFMQQDSA-N 0 0 409.551 6.667 50 30 HKEARN CCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 ZINC000100856560 560760275 /nfs/dbraw/zinc/76/02/75/560760275.db2.gz IPBVOARNANTRTP-NHFJDJAPSA-N 0 0 407.554 6.512 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)N(C)C1CCCCC1 ZINC000100856907 519993901 /nfs/dbraw/zinc/99/39/01/519993901.db2.gz NVELQNBVSCWFAF-UHFFFAOYSA-N 0 0 408.715 8.222 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)NCCc1ccccc1 ZINC000100857024 569013096 /nfs/dbraw/zinc/01/30/96/569013096.db2.gz KKMADEGRJLDNKM-UHFFFAOYSA-N 0 0 416.694 7.790 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(CC)cc1 ZINC000100857212 569013145 /nfs/dbraw/zinc/01/31/45/569013145.db2.gz HRWHIHHTCAUMTE-UHFFFAOYSA-N 0 0 416.694 8.632 50 30 HKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)nc1 ZINC000100857608 559141386 /nfs/dbraw/zinc/14/13/86/559141386.db2.gz WIAFUYPFXJMIJF-UHFFFAOYSA-N 0 0 417.059 6.495 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1ccc(NC(C)=O)cc1 ZINC000100858427 519997169 /nfs/dbraw/zinc/99/71/69/519997169.db2.gz KFNGNXMQHBTIIW-UHFFFAOYSA-N 0 0 403.651 8.285 50 30 HKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(OCC)cc1)C(=O)c1ccccc1-2 ZINC000100859143 521400838 /nfs/dbraw/zinc/40/08/38/521400838.db2.gz ZVYFNKYWAUPYNR-ZHZULCJRSA-N 0 0 417.461 5.480 50 30 HKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(Cl)cn1)C(=O)c1ccccc1-2 ZINC000100859155 521402542 /nfs/dbraw/zinc/40/25/42/521402542.db2.gz KFTDVDSVKLVSDK-WJDWOHSUSA-N 0 0 408.841 5.129 50 30 HKEARN COc1ccc(C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)C(F)(F)F)cc1 ZINC000100862312 560760381 /nfs/dbraw/zinc/76/03/81/560760381.db2.gz ROCMXXAVZHFAOX-RAXLEYEMSA-N 0 0 417.305 5.024 50 30 HKEARN CC(C)/N=C(\c1ccccc1)n1c(=S)nc(-c2ccccc2)n(C(C)C)c1=S ZINC000100862434 519387353 /nfs/dbraw/zinc/38/73/53/519387353.db2.gz WKWCIMLYBZZBKD-FCDQGJHFSA-N 0 0 408.596 6.095 50 30 HKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000100863964 560760863 /nfs/dbraw/zinc/76/08/63/560760863.db2.gz UTWNBSMAOHVOMY-DEOSSOPVSA-N 0 0 418.669 8.527 50 30 HKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000100863965 560760873 /nfs/dbraw/zinc/76/08/73/560760873.db2.gz UTWNBSMAOHVOMY-XMMPIXPASA-N 0 0 418.669 8.527 50 30 HKEARN CC(=O)/C(=N/Nc1ccc(Br)cc1)Sc1cccc2cccnc21 ZINC000100869620 560760363 /nfs/dbraw/zinc/76/03/63/560760363.db2.gz CEYLDTRPOARDMD-PYCFMQQDSA-N 0 0 400.301 5.104 50 30 HKEARN C=CCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100874067 519261171 /nfs/dbraw/zinc/26/11/71/519261171.db2.gz ZSWWPCZCBZLNOH-QPLCGJKRSA-N 0 0 412.514 5.169 50 30 HKEARN C=CCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cccc(OCCCCC)c1 ZINC000100874292 560761441 /nfs/dbraw/zinc/76/14/41/560761441.db2.gz VZWFTHJVGQGSNT-GYHWCHFESA-N 0 0 414.958 5.852 50 30 HKEARN C=CCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cc2ccccc2cc1OC ZINC000100874294 519262324 /nfs/dbraw/zinc/26/23/24/519262324.db2.gz QMVCBMMSNMJGBT-GYHWCHFESA-N 0 0 408.910 5.445 50 30 HKEARN CCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100879167 560761858 /nfs/dbraw/zinc/76/18/58/560761858.db2.gz FPYRGCROSOOTIF-QCCZVWFUSA-N 0 0 421.581 6.900 50 30 HKEARN CCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100879169 560761859 /nfs/dbraw/zinc/76/18/59/560761859.db2.gz FPYRGCROSOOTIF-ONNMZWHZSA-N 0 0 421.581 6.900 50 30 HKEARN CCCCCCCCCCCCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O ZINC000100911079 520016502 /nfs/dbraw/zinc/01/65/02/520016502.db2.gz JESUQIUNIXZQKH-UHFFFAOYSA-N 0 0 421.984 6.858 50 30 HKEARN CO/N=C/C(=CNc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000100911770 560762475 /nfs/dbraw/zinc/76/24/75/560762475.db2.gz OWWJDZHHDYCGDV-HZMXDJAJSA-N 0 0 424.637 6.146 50 30 HKEARN CO/N=C/C(=CNc1ccc(C(F)(F)F)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100911774 560762452 /nfs/dbraw/zinc/76/24/52/560762452.db2.gz WJNRYDVASDXDKK-BWHWZERSSA-N 0 0 423.744 5.858 50 30 HKEARN CN(C)c1ccc(/C=C/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000100912834 560762464 /nfs/dbraw/zinc/76/24/64/560762464.db2.gz LEMFHMNRAUBWRZ-UILIMSKGSA-N 0 0 417.512 6.967 50 30 HKEARN FC(F)(F)c1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1 ZINC000100913710 560762819 /nfs/dbraw/zinc/76/28/19/560762819.db2.gz CFMYNFNCDPOYJG-BHGWPJFGSA-N 0 0 405.832 6.486 50 30 HKEARN CC(=CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)Nc1ccc(F)cc1C ZINC000100914656 560762685 /nfs/dbraw/zinc/76/26/85/560762685.db2.gz BWYPFSJXFKFXMZ-QINSGFPZSA-N 0 0 404.416 6.280 50 30 HKEARN Fc1ccc(F)c(-c2nnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n32)c1 ZINC000100917334 526348350 /nfs/dbraw/zinc/34/83/50/526348350.db2.gz HDKGRMGQWTZMHV-UHFFFAOYSA-N 0 0 418.247 5.260 50 30 HKEARN N#Cc1c(C=CNc2ccccc2)nc2c(c1-c1ccccc1F)C(=O)c1ccccc1-2 ZINC000100922340 560763194 /nfs/dbraw/zinc/76/31/94/560763194.db2.gz UEMGJHIHZMOSGL-CCEZHUSRSA-N 0 0 417.443 6.054 50 30 HKEARN Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)c(Cl)c1 ZINC000100922992 569050246 /nfs/dbraw/zinc/05/02/46/569050246.db2.gz IZRKBEKJXVVLDZ-CVKSISIWSA-N 0 0 406.316 6.465 50 30 HKEARN Brc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1 ZINC000100923405 558805707 /nfs/dbraw/zinc/80/57/07/558805707.db2.gz DLBACLNGYOIDQB-PCLIKHOPSA-N 0 0 416.322 5.921 50 30 HKEARN CCCCCCCc1ccc([C@H](O)CC(=O)c2cnc(-c3cccnc3)s2)cc1 ZINC000100925235 520069592 /nfs/dbraw/zinc/06/95/92/520069592.db2.gz GZXVFINLOBTKIO-OAQYLSRUSA-N 0 0 408.567 6.024 50 30 HKEARN CCCCCCCc1ccc([C@@H](O)CC(=O)c2cnc(-c3cccnc3)s2)cc1 ZINC000100925237 560763221 /nfs/dbraw/zinc/76/32/21/560763221.db2.gz GZXVFINLOBTKIO-NRFANRHFSA-N 0 0 408.567 6.024 50 30 HKEARN CCCCCCCCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1O ZINC000100930310 519982482 /nfs/dbraw/zinc/98/24/82/519982482.db2.gz HPKJNPMFDFIEFI-ZZIIXHQDSA-N 0 0 424.585 7.574 50 30 HKEARN CCCCCCCCCC[NH2+][C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000100933156 520019275 /nfs/dbraw/zinc/01/92/75/520019275.db2.gz MUKWWTKMWZZTOR-DEOSSOPVSA-N 0 0 415.618 6.491 50 30 HKEARN CCCCCCCCCC[NH2+][C@H](CC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000100933158 560763365 /nfs/dbraw/zinc/76/33/65/560763365.db2.gz MUKWWTKMWZZTOR-XMMPIXPASA-N 0 0 415.618 6.491 50 30 HKEARN CC1(C)CC(=O)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(NCc2ccccc2)C1 ZINC000100938233 520252585 /nfs/dbraw/zinc/25/25/85/520252585.db2.gz LZYBGLUMSXORPP-UHFFFAOYSA-N 0 0 416.443 5.077 50 30 HKEARN CCCCCCCCCCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000100952901 520009222 /nfs/dbraw/zinc/00/92/22/520009222.db2.gz MUDSQBHPYOPBIP-UHFFFAOYSA-N 0 0 408.586 6.590 50 30 HKEARN CCCCCCCCNC(=S)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100955169 559142279 /nfs/dbraw/zinc/14/22/79/559142279.db2.gz HTFSTLNNVNHUMP-UHFFFAOYSA-N 0 0 418.990 6.206 50 30 HKEARN CCCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCCC)c1 ZINC000100956438 560764641 /nfs/dbraw/zinc/76/46/41/560764641.db2.gz PNUBTWULXGBFNP-UHFFFAOYSA-N 0 0 406.567 7.033 50 30 HKEARN CCCCCCCCCCCNC(=O)c1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000100959142 560764846 /nfs/dbraw/zinc/76/48/46/560764846.db2.gz AKTYNQJKEFBRFQ-QUPMIFSKSA-N 0 0 421.629 6.764 50 30 HKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000100959254 560764867 /nfs/dbraw/zinc/76/48/67/560764867.db2.gz HLFZJKTWNBPCBA-UHFFFAOYSA-N 0 0 412.549 6.339 50 30 HKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000100959269 560764883 /nfs/dbraw/zinc/76/48/83/560764883.db2.gz WZSQCTMOKLQAQI-UHFFFAOYSA-N 0 0 422.613 6.519 50 30 biogenic HKEARN CCCCCCCCCCCCCCCCCCNC(=S)Nc1ccccc1 ZINC000100965481 519997540 /nfs/dbraw/zinc/99/75/40/519997540.db2.gz OQJQHSPPUZDPHJ-UHFFFAOYSA-N 0 0 404.708 8.235 50 30 HKEARN CCCCCCCCCCCCCCCCOc1ccccc1NC(=O)CC(C)=O ZINC000100969911 520001660 /nfs/dbraw/zinc/00/16/60/520001660.db2.gz SBHCWTHAYDWYGI-UHFFFAOYSA-N 0 0 417.634 7.464 50 30 HKEARN CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(OC)cc1 ZINC000100969949 569013108 /nfs/dbraw/zinc/01/31/08/569013108.db2.gz IMCGSELWSFPCDH-UHFFFAOYSA-N 0 0 405.692 7.784 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1C ZINC000100970139 519995060 /nfs/dbraw/zinc/99/50/60/519995060.db2.gz FGTQEHURDKYWTO-UHFFFAOYSA-N 0 0 416.694 8.686 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)N(CC)c1ccccc1 ZINC000100970149 519994272 /nfs/dbraw/zinc/99/42/72/519994272.db2.gz KOZPOBSLYCDTHG-UHFFFAOYSA-N 0 0 416.694 8.484 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000100970380 520004282 /nfs/dbraw/zinc/00/42/82/520004282.db2.gz DZQLGPCNQDVJIK-UHFFFAOYSA-N 0 0 401.056 7.595 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100970959 519989597 /nfs/dbraw/zinc/98/95/97/519989597.db2.gz RXUZBXOTBIUGRU-UHFFFAOYSA-N 0 0 400.434 8.413 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(O)c1 ZINC000100971073 569013099 /nfs/dbraw/zinc/01/30/99/569013099.db2.gz PLCGFXCACVMJGR-UHFFFAOYSA-N 0 0 404.639 7.775 50 30 HKEARN CCCCCCCCCCCCSC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100971419 569013105 /nfs/dbraw/zinc/01/31/05/569013105.db2.gz GPMIVFYKGBOPOS-UHFFFAOYSA-N 0 0 400.972 7.434 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000100971451 569013095 /nfs/dbraw/zinc/01/30/95/569013095.db2.gz OMZLWMZOZZFLQI-UHFFFAOYSA-N 0 0 403.419 6.727 50 30 HKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000100971461 569013103 /nfs/dbraw/zinc/01/31/03/569013103.db2.gz NNACWBJTYFNZCZ-UHFFFAOYSA-N 0 0 409.552 5.337 50 30 HKEARN CCCCCCCCCC[NH2+][C@H](c1ccccc1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000100971685 569013123 /nfs/dbraw/zinc/01/31/23/569013123.db2.gz JRMQEQBMAPHMJK-XMMPIXPASA-N 0 0 419.565 6.349 50 30 HKEARN CCCCCCCCCC[NH2+][C@@H](c1ccccc1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000100971688 569013135 /nfs/dbraw/zinc/01/31/35/569013135.db2.gz JRMQEQBMAPHMJK-DEOSSOPVSA-N 0 0 419.565 6.349 50 30 HKEARN Cc1oc(/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C ZINC000100982570 559142448 /nfs/dbraw/zinc/14/24/48/559142448.db2.gz NHGCCGBGBUBAHN-UVHMKAGCSA-N 0 0 401.897 6.484 50 30 HKEARN CCOc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1 ZINC000100986521 520861345 /nfs/dbraw/zinc/86/13/45/520861345.db2.gz FYSKFBMJPIDWJH-YBNBZSSTSA-N 0 0 424.544 6.041 50 30 HKEARN CCOc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1 ZINC000100986525 560765498 /nfs/dbraw/zinc/76/54/98/560765498.db2.gz FYSKFBMJPIDWJH-FRHWEDRMSA-N 0 0 424.544 6.041 50 30 HKEARN CN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 ZINC000100988324 523674388 /nfs/dbraw/zinc/67/43/88/523674388.db2.gz IVFAMNFVFDXGAV-QGVLPLFYSA-N 0 0 408.266 5.135 50 30 HKEARN N#Cc1c(/N=C/N2CCCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000100992318 560766067 /nfs/dbraw/zinc/76/60/67/560766067.db2.gz CMKXOCLHOSFRSZ-ZTKZIYFRSA-N 0 0 420.516 6.091 50 30 HKEARN CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(OC)cc1 ZINC000101007960 559142620 /nfs/dbraw/zinc/14/26/20/559142620.db2.gz ROFQZXOTPNHKQU-ZBJSNUHESA-N 0 0 402.619 7.733 50 30 HKEARN CCCCCCCCCCCCCCCCCc1cc2ccccc2c2ccccc12 ZINC000101012950 519998075 /nfs/dbraw/zinc/99/80/75/519998075.db2.gz QPJMTTCTRWAKMP-UHFFFAOYSA-N 0 0 416.693 10.407 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1N ZINC000101015051 571317801 /nfs/dbraw/zinc/31/78/01/571317801.db2.gz MTEFMJCVGAQPHS-UHFFFAOYSA-N 0 0 416.071 7.177 50 30 HKEARN CCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2s1 ZINC000101015320 520005769 /nfs/dbraw/zinc/00/57/69/520005769.db2.gz ZQOUJRXREJENNU-UHFFFAOYSA-N 0 0 421.672 7.633 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000101015771 520001966 /nfs/dbraw/zinc/00/19/66/520001966.db2.gz NJHHLAPTZGMJHN-UHFFFAOYSA-N 0 0 408.648 7.144 50 30 HKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1COc1ccc(Cl)cc1 ZINC000101016018 569013102 /nfs/dbraw/zinc/01/31/02/569013102.db2.gz VVIGPMNMZIYQIK-UHFFFAOYSA-N 0 0 419.949 7.347 50 30 HKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1COc1cccc(Cl)c1 ZINC000101016019 569013114 /nfs/dbraw/zinc/01/31/14/569013114.db2.gz PVLIGCKJUBFDMZ-UHFFFAOYSA-N 0 0 419.949 7.347 50 30 HKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1cc(C)ccc1C ZINC000101016022 569013144 /nfs/dbraw/zinc/01/31/44/569013144.db2.gz SBAKYQJDFAMULF-UHFFFAOYSA-N 0 0 412.574 7.343 50 30 HKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1COc1cc(C)ccc1C ZINC000101016035 569013134 /nfs/dbraw/zinc/01/31/34/569013134.db2.gz IYDJAYNSVHSSIO-UHFFFAOYSA-N 0 0 413.558 7.310 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1cccc(NC(C)=O)c1 ZINC000101016486 519997372 /nfs/dbraw/zinc/99/73/72/519997372.db2.gz KJQRQEIGNKOWPD-UHFFFAOYSA-N 0 0 403.651 8.285 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000101016524 519997652 /nfs/dbraw/zinc/99/76/52/519997652.db2.gz NRYXPVLDVKIIMD-UHFFFAOYSA-N 0 0 404.635 8.114 50 30 HKEARN CCCCCCCCCCCCCCCCCCOc1cccc(C(=O)OC)c1 ZINC000101016527 569013111 /nfs/dbraw/zinc/01/31/11/569013111.db2.gz WANNMVFNRPIFOR-UHFFFAOYSA-N 0 0 404.635 8.114 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)c1cc(OC)ccc1OC ZINC000101016594 569013133 /nfs/dbraw/zinc/01/31/33/569013133.db2.gz QKEKNFSRPLZSHY-UHFFFAOYSA-N 0 0 404.635 8.148 50 30 HKEARN CCCCCCCCCCCCCCCCOc1ccc(S(C)(=O)=O)cc1N ZINC000101016603 569013130 /nfs/dbraw/zinc/01/31/30/569013130.db2.gz YGEANWRETQEORI-UHFFFAOYSA-N 0 0 411.652 6.532 50 30 HKEARN C=CCC(O)(CC=C)CCCCCCCCCCCCCCCCCCCCC ZINC000101016637 518685627 /nfs/dbraw/zinc/68/56/27/518685627.db2.gz RCTONRGCTNBPQY-UHFFFAOYSA-N 0 0 406.739 9.692 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)CC(=O)Nc1ccccc1OC ZINC000101016665 569013110 /nfs/dbraw/zinc/01/31/10/569013110.db2.gz XCGMZDCHFSTBMW-UHFFFAOYSA-N 0 0 403.607 7.074 50 30 HKEARN CCCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC)cc1N ZINC000101016725 569013094 /nfs/dbraw/zinc/01/30/94/569013094.db2.gz SHIHISWWQLCYRA-UHFFFAOYSA-N 0 0 419.650 7.235 50 30 HKEARN CCCCCCCCCCCCCCCCN(C)C(=O)c1ccc(Cl)c(N)c1 ZINC000101016819 569013104 /nfs/dbraw/zinc/01/31/04/569013104.db2.gz GKOGQHGVUZBZMB-UHFFFAOYSA-N 0 0 409.058 7.476 50 30 HKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cccc(N)c1 ZINC000101016837 519998894 /nfs/dbraw/zinc/99/88/94/519998894.db2.gz IHAJXIZFTZRGHO-UHFFFAOYSA-N 0 0 410.668 6.371 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc2ccccc2c1O ZINC000101017326 569013127 /nfs/dbraw/zinc/01/31/27/569013127.db2.gz ZEEXNGJDQDBVAV-UHFFFAOYSA-N 0 0 410.642 8.990 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101017338 520004298 /nfs/dbraw/zinc/00/42/98/520004298.db2.gz VZXVGMJSTIUCQS-UHFFFAOYSA-N 0 0 411.608 6.850 50 30 HKEARN CCCCCCCCCCCCCCCCNc1cc(C)cc(Br)c1 ZINC000101017717 569013113 /nfs/dbraw/zinc/01/31/13/569013113.db2.gz SRXHNHAHDFLEIE-UHFFFAOYSA-N 0 0 410.484 8.651 50 30 HKEARN CCCCCCCC[C@@H](C)N1CCc2cc(N[C@@H](C)CCCCCCCC)ccc21 ZINC000101018001 569363505 /nfs/dbraw/zinc/36/35/05/569363505.db2.gz UHQNAXIWFPAWJU-LOSJGSFVSA-N 0 0 414.722 8.739 50 30 HKEARN CCCCCCCC[C@@H](C)Nc1ccc2c(c1)CCN2[C@H](C)CCCCCCCC ZINC000101018003 569363481 /nfs/dbraw/zinc/36/34/81/569363481.db2.gz UHQNAXIWFPAWJU-JWQCQUIFSA-N 0 0 414.722 8.739 50 30 HKEARN CCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1 ZINC000101019652 569013100 /nfs/dbraw/zinc/01/31/00/569013100.db2.gz VUDFOFXOBVVNNW-UHFFFAOYSA-N 0 0 403.651 8.372 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2ccccc2c1 ZINC000101019655 569013098 /nfs/dbraw/zinc/01/30/98/569013098.db2.gz DQMSSQYEMIPENU-UHFFFAOYSA-N 0 0 409.658 9.040 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000101019752 569013129 /nfs/dbraw/zinc/01/31/29/569013129.db2.gz HWXVUZIEZAINJS-UHFFFAOYSA-N 0 0 407.642 8.773 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCC ZINC000101019842 519987460 /nfs/dbraw/zinc/98/74/60/519987460.db2.gz RJYDKFKGWAGGEC-UHFFFAOYSA-N 0 0 423.770 9.505 50 30 HKEARN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1 ZINC000101019859 519997011 /nfs/dbraw/zinc/99/70/11/519997011.db2.gz ZBDTVAOQVHJXKC-UHFFFAOYSA-N 0 0 424.695 6.809 50 30 HKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000101019993 520003565 /nfs/dbraw/zinc/00/35/65/520003565.db2.gz AJLIPJZNQMZDJZ-UHFFFAOYSA-N 0 0 411.608 6.850 50 30 HKEARN CCCCCCCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1 ZINC000101020012 557668538 /nfs/dbraw/zinc/66/85/38/557668538.db2.gz DFPUUWZWLKVREB-UHFFFAOYSA-N 0 0 406.698 10.158 50 30 HKEARN CCCCCCCCOP(=O)(OCCCCCCCC)C(=O)N(CC)CC ZINC000101020651 569013118 /nfs/dbraw/zinc/01/31/18/569013118.db2.gz WMLWCCYCFTXZFU-UHFFFAOYSA-N 0 0 405.560 7.396 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)O[C@@H]1CC[C@H](CO)O1 ZINC000101021046 519994195 /nfs/dbraw/zinc/99/41/95/519994195.db2.gz HREQVSCRQPLSNQ-DHIUTWEWSA-N 0 0 413.643 6.472 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)O[C@H]1CC[C@H](CO)O1 ZINC000101021049 569013122 /nfs/dbraw/zinc/01/31/22/569013122.db2.gz HREQVSCRQPLSNQ-PKTZIBPZSA-N 0 0 413.643 6.472 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)O[C@@H]1CC[C@@H](CO)O1 ZINC000101021052 519994838 /nfs/dbraw/zinc/99/48/38/519994838.db2.gz HREQVSCRQPLSNQ-XZOQPEGZSA-N 0 0 413.643 6.472 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)O[C@H]1CC[C@@H](CO)O1 ZINC000101021053 569013101 /nfs/dbraw/zinc/01/31/01/569013101.db2.gz HREQVSCRQPLSNQ-GOTSBHOMSA-N 0 0 413.643 6.472 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000101022712 569013141 /nfs/dbraw/zinc/01/31/41/569013141.db2.gz CMRXQSHFBGGHFI-UHFFFAOYSA-N 0 0 409.058 8.122 50 30 HKEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101022806 569013169 /nfs/dbraw/zinc/01/31/69/569013169.db2.gz BHHISSFQULWNCJ-UHFFFAOYSA-N 0 0 404.960 5.447 50 30 HKEARN CCN(CC)C(=S)SC/C(=N\O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000101038036 560767129 /nfs/dbraw/zinc/76/71/29/560767129.db2.gz QXCONMLJFIJECI-OQKWZONESA-N 0 0 410.649 5.525 50 30 HKEARN CC(C)(C)c1cc(C=C2C(C(C)(C)C)=CC(=O)C=C2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101041262 569013168 /nfs/dbraw/zinc/01/31/68/569013168.db2.gz YBRZVAHOLOZBNW-UHFFFAOYSA-N 0 0 422.653 7.898 50 30 HKEARN COc1ccc(F)cc1C1=CSC(=C2C=CC(=NC(=O)c3cccs3)C=C2)N1 ZINC000101050844 560767779 /nfs/dbraw/zinc/76/77/79/560767779.db2.gz YRPYRDRYVDJQOZ-UHFFFAOYSA-N 0 0 410.495 5.150 50 30 HKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000101080838 560772369 /nfs/dbraw/zinc/77/23/69/560772369.db2.gz DEDPXTVIHNAKDY-RSXNERHXSA-N 0 0 400.931 5.609 50 30 HKEARN Brc1ccc(-c2nc3ccccc3o2)cc1/N=C/C=C/c1ccccc1 ZINC000101087092 559143173 /nfs/dbraw/zinc/14/31/73/559143173.db2.gz BTDKTMAADZOXGO-XWJCGCQVSA-N 0 0 403.279 6.673 50 30 HKEARN COc1ccc(C)cc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 ZINC000101091872 559143273 /nfs/dbraw/zinc/14/32/73/559143273.db2.gz BEOYDXFITNXYIR-UHFFFAOYSA-N 0 0 409.407 6.199 50 30 HKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1Cl ZINC000101091880 559143287 /nfs/dbraw/zinc/14/32/87/559143287.db2.gz REYQHCLSTFPAPY-UHFFFAOYSA-N 0 0 413.826 6.844 50 30 HKEARN COc1ccc(C2=C(Nc3ccc(Br)c(C)c3)c3ccccc3C2=O)cc1 ZINC000101093052 559143263 /nfs/dbraw/zinc/14/32/63/559143263.db2.gz QOHYGTZIZVYVNI-UHFFFAOYSA-N 0 0 420.306 5.943 50 30 HKEARN CCCCCCCCSc1cc2c(C(C)=O)ccc(C(C)=O)c2c2ccccc12 ZINC000101094210 569013152 /nfs/dbraw/zinc/01/31/52/569013152.db2.gz GGRDKMGTKDABHC-UHFFFAOYSA-N 0 0 406.591 7.851 50 30 HKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000101109521 559143431 /nfs/dbraw/zinc/14/34/31/559143431.db2.gz IRXDDUHAPDEDOX-WSDLNYQXSA-N 0 0 422.238 5.916 50 30 HKEARN Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000101113110 560786694 /nfs/dbraw/zinc/78/66/94/560786694.db2.gz SIVLCDBIXUANTL-XSFVSMFZSA-N 0 0 412.518 5.370 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc21 ZINC000101126787 569013154 /nfs/dbraw/zinc/01/31/54/569013154.db2.gz KVDCEOOVOSUMOB-YAGSLNJISA-N 0 0 416.480 6.905 50 30 HKEARN CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000101127510 569013165 /nfs/dbraw/zinc/01/31/65/569013165.db2.gz VTNGGKHMERMEIU-MDZDMXLPSA-N 0 0 408.626 8.783 50 30 HKEARN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@@H](O)CC(C)(C)O ZINC000101148258 568963327 /nfs/dbraw/zinc/96/33/27/568963327.db2.gz JVBPQHSRTHJMLM-WORHRCAZSA-N 0 0 416.646 5.705 50 30 in-vitro HKEARN CC(=[NH+]Cc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000101156861 518457864 /nfs/dbraw/zinc/45/78/64/518457864.db2.gz DJGLYYLLHZQXQV-YZSQISJMSA-N 0 0 424.529 5.452 50 30 HKEARN C/C(=N\OCc1ccccc1)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000101160962 559143679 /nfs/dbraw/zinc/14/36/79/559143679.db2.gz SPFYLNIPRASPFK-ZXVVBBHZSA-N 0 0 410.473 5.151 50 30 HKEARN C=CCSc1ccccc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173643 568963343 /nfs/dbraw/zinc/96/33/43/568963343.db2.gz OIFCVGBOGRZTGP-DEOSSOPVSA-N 0 0 400.547 5.490 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccs2)CCCCC3)cc1 ZINC000101183270 560788978 /nfs/dbraw/zinc/78/89/78/560788978.db2.gz BWIVJQAUPVOWQC-OEAKJJBVSA-N 0 0 410.564 6.090 50 30 HKEARN CC(C)(C)c1cc(/N=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)cc(C(C)(C)C)c1O ZINC000101183704 560788966 /nfs/dbraw/zinc/78/89/66/560788966.db2.gz JBJSTMQYZHVVSL-QUPMIFSKSA-N 0 0 423.641 7.587 50 30 HKEARN S=c1ss/c(=N/C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000101183736 526388161 /nfs/dbraw/zinc/38/81/61/526388161.db2.gz FJPXMHIJROTFCE-WDAKLKSISA-N 0 0 405.573 6.009 50 30 HKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2sccc2C)CCCCC3)cc1 ZINC000101185176 560788969 /nfs/dbraw/zinc/78/89/69/560788969.db2.gz KEWAXVQQALAOGV-ZVHZXABRSA-N 0 0 424.591 6.398 50 30 HKEARN CCOP(=O)(OCC)[C@H](/N=C/c1ccc(Br)cc1)c1ccccc1 ZINC000101193567 560789215 /nfs/dbraw/zinc/78/92/15/560789215.db2.gz HWRYILBDNDYNBR-OFBHVFLISA-N 0 0 410.248 5.833 50 30 HKEARN CCOP(=O)(OCC)[C@@H](/N=C/c1ccc(Br)cc1)c1ccccc1 ZINC000101193570 560789164 /nfs/dbraw/zinc/78/91/64/560789164.db2.gz HWRYILBDNDYNBR-SQVRNEIYSA-N 0 0 410.248 5.833 50 30 HKEARN CCC/C(=N\OCC)C1/C(=N/OCC)CC(C[C@H](C)SCC)C/C1=N\OCC ZINC000101209268 560789294 /nfs/dbraw/zinc/78/92/94/560789294.db2.gz KYGAIMIQMXQORH-IKVYOGKHSA-N 0 0 413.628 5.522 50 30 HKEARN CCC/C(=N\OCC)C1/C(=N/OCC)CC(C[C@@H](C)SCC)C/C1=N\OCC ZINC000101209271 560789292 /nfs/dbraw/zinc/78/92/92/560789292.db2.gz KYGAIMIQMXQORH-GIXYXIIXSA-N 0 0 413.628 5.522 50 30 HKEARN COc1ccc2c(c1)C=C1C(=C/C(=N/c3ccc(Br)cc3)CC1(C)C)O2 ZINC000101268462 559144365 /nfs/dbraw/zinc/14/43/65/559144365.db2.gz DGKZECPVMHMEPS-ULJHMMPZSA-N 0 0 410.311 6.320 50 30 HKEARN Cc1n[nH]c(NC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)c1-c1ccc(Cl)cc1 ZINC000101284019 559144531 /nfs/dbraw/zinc/14/45/31/559144531.db2.gz OADRSFYWXVKADY-UHFFFAOYSA-N 0 0 423.875 5.189 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(Cl)c1 ZINC000101284689 560790505 /nfs/dbraw/zinc/79/05/05/560790505.db2.gz BCWJAOMJJRTXEE-LJQANCHMSA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(Cl)c1 ZINC000101284692 560790538 /nfs/dbraw/zinc/79/05/38/560790538.db2.gz BCWJAOMJJRTXEE-IBGZPJMESA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000101284717 560790510 /nfs/dbraw/zinc/79/05/10/560790510.db2.gz LJRBYPDKDUNYEI-LJQANCHMSA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 ZINC000101284721 560790507 /nfs/dbraw/zinc/79/05/07/560790507.db2.gz LJRBYPDKDUNYEI-IBGZPJMESA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1Cl ZINC000101284788 560790584 /nfs/dbraw/zinc/79/05/84/560790584.db2.gz NLEQXPOJYQCORY-LJQANCHMSA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1Cl ZINC000101284790 560790607 /nfs/dbraw/zinc/79/06/07/560790607.db2.gz NLEQXPOJYQCORY-IBGZPJMESA-N 0 0 402.926 5.124 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000101285114 560790712 /nfs/dbraw/zinc/79/07/12/560790712.db2.gz HYPHBQMLEJKBHK-HSZRJFAPSA-N 0 0 421.516 5.978 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000101285117 520060397 /nfs/dbraw/zinc/06/03/97/520060397.db2.gz HYPHBQMLEJKBHK-QHCPKHFHSA-N 0 0 421.516 5.978 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000101285126 560790732 /nfs/dbraw/zinc/79/07/32/560790732.db2.gz ABOIQJCHAVQXSU-HSZRJFAPSA-N 0 0 421.516 5.978 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000101285129 520060443 /nfs/dbraw/zinc/06/04/43/520060443.db2.gz ABOIQJCHAVQXSU-QHCPKHFHSA-N 0 0 421.516 5.978 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000101285204 560790757 /nfs/dbraw/zinc/79/07/57/560790757.db2.gz WTWQVLXUYSYZRV-JOCHJYFZSA-N 0 0 404.514 5.234 50 30 HKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000101285207 560790756 /nfs/dbraw/zinc/79/07/56/560790756.db2.gz WTWQVLXUYSYZRV-QFIPXVFZSA-N 0 0 404.514 5.234 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 ZINC000101315276 523665726 /nfs/dbraw/zinc/66/57/26/523665726.db2.gz BPBWXYUJJPCQEA-GNOCETLISA-N 0 0 404.510 5.041 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc21 ZINC000101315301 523665273 /nfs/dbraw/zinc/66/52/73/523665273.db2.gz SZHDJIIWZSYFIW-PPYUERFYSA-N 0 0 412.489 5.071 50 30 HKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 ZINC000101315519 559145927 /nfs/dbraw/zinc/14/59/27/559145927.db2.gz JFDHLSJSCLORCK-LIAVLPADSA-N 0 0 412.489 5.071 50 30 HKEARN C=CCS[C@@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 ZINC000101321682 560791767 /nfs/dbraw/zinc/79/17/67/560791767.db2.gz KZFZDPUCNIILPV-RUZDIDTESA-N 0 0 416.590 6.080 50 30 HKEARN C=CCS[C@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 ZINC000101321683 560791753 /nfs/dbraw/zinc/79/17/53/560791753.db2.gz KZFZDPUCNIILPV-VWLOTQADSA-N 0 0 416.590 6.080 50 30 HKEARN C=CCc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000101332726 560791960 /nfs/dbraw/zinc/79/19/60/560791960.db2.gz ONDPXBOVLPDHSY-DEOSSOPVSA-N 0 0 402.538 6.609 50 30 HKEARN C=CCc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000101332729 560791970 /nfs/dbraw/zinc/79/19/70/560791970.db2.gz ONDPXBOVLPDHSY-XMMPIXPASA-N 0 0 402.538 6.609 50 30 HKEARN CCCCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000101333204 560791934 /nfs/dbraw/zinc/79/19/34/560791934.db2.gz VZJRFNPTRKJTAC-SFHVURJKSA-N 0 0 407.813 6.360 50 30 HKEARN CCCCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000101333208 560791965 /nfs/dbraw/zinc/79/19/65/560791965.db2.gz VZJRFNPTRKJTAC-GOSISDBHSA-N 0 0 407.813 6.360 50 30 HKEARN O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101337109 560792024 /nfs/dbraw/zinc/79/20/24/560792024.db2.gz ILVZNSRWMSIOPD-UHFFFAOYSA-N 0 0 419.655 5.072 50 30 HKEARN COc1cccc(C(=O)C=C(Nc2ccc(Br)c3ccccc23)C(C)=O)c1 ZINC000101355717 560792384 /nfs/dbraw/zinc/79/23/84/560792384.db2.gz OZXUCTFJAODKHF-BKUYFWCQSA-N 0 0 424.294 5.379 50 30 HKEARN CC[C@@H](C)c1ccc2oc(=O)c(CC(=O)c3ccc(C4CCCCC4)cc3)nc2c1 ZINC000101355914 522431550 /nfs/dbraw/zinc/43/15/50/522431550.db2.gz SEFGXHKZOBDJIZ-BXDFRRGMSA-N 0 0 403.522 6.346 50 30 HKEARN CC[C@H](C)c1ccc2oc(=O)c(CC(=O)c3ccc(C4CCCCC4)cc3)nc2c1 ZINC000101355916 522043299 /nfs/dbraw/zinc/04/32/99/522043299.db2.gz SEFGXHKZOBDJIZ-CSUZIONRSA-N 0 0 403.522 6.346 50 30 HKEARN CCCCCCCCCCCCCCCCc1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000101359990 559146591 /nfs/dbraw/zinc/14/65/91/559146591.db2.gz RHQPKHHYQCFWGW-UHFFFAOYSA-N 0 0 400.607 6.439 50 30 HKEARN CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC ZINC000101360061 559146616 /nfs/dbraw/zinc/14/66/16/559146616.db2.gz ULTFKCDPRAWOOU-UHFFFAOYSA-N 0 0 423.770 9.505 50 30 HKEARN C[C@@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C=C21 ZINC000101360472 559146620 /nfs/dbraw/zinc/14/66/20/559146620.db2.gz HKAPCUHZEFKGQP-HTAPYJJXSA-N 0 0 406.522 5.716 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)c1cccs1 ZINC000101360537 559146586 /nfs/dbraw/zinc/14/65/86/559146586.db2.gz DXMMJKJOYQGPCA-UHFFFAOYSA-N 0 0 406.720 9.753 50 30 HKEARN Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c(Cl)c1 ZINC000101363933 560792748 /nfs/dbraw/zinc/79/27/48/560792748.db2.gz ZBHUMYRSJYSIQB-UHFFFAOYSA-N 0 0 413.826 6.844 50 30 HKEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc(Oc2ccccc2)cc1 ZINC000101370992 560793064 /nfs/dbraw/zinc/79/30/64/560793064.db2.gz VMLAZSWRLXNLLJ-HAVVHWLPSA-N 0 0 413.473 5.010 50 30 HKEARN CC(C)(C)/N=C1\[C@@H]([NH+]2CCCC2)C2(CCCCC2)C(=S)N1c1ccccc1Cl ZINC000101377315 568417944 /nfs/dbraw/zinc/41/79/44/568417944.db2.gz PXABEAPOSSYLLI-ZBCDYPQOSA-N 0 0 418.050 6.099 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/[C@@H](C)c1ccccc1 ZINC000101379238 121635041 /nfs/dbraw/zinc/63/50/41/121635041.db2.gz LYTJHUIMVBMYJT-QTUPEUCQSA-N 0 0 409.580 5.500 50 30 HKEARN CCCCCCCCCCCCCCCC(=O)Nc1nnc(N2CCOCC2)s1 ZINC000101388629 560794014 /nfs/dbraw/zinc/79/40/14/560794014.db2.gz JJWZOFMWCIOPRF-UHFFFAOYSA-N 0 0 424.655 5.795 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C)c(C)c1 ZINC000101390298 560794095 /nfs/dbraw/zinc/79/40/95/560794095.db2.gz LMJPDWSQIODPHV-JOWZZTKRSA-N 0 0 421.566 5.067 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C)c(C)c1 ZINC000101390301 560794141 /nfs/dbraw/zinc/79/41/41/560794141.db2.gz LMJPDWSQIODPHV-PWKIUMOWSA-N 0 0 421.566 5.067 50 30 HKEARN CC(=O)C(=C(C)O)c1cc(Nc2ccc(C)cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000101403982 560793927 /nfs/dbraw/zinc/79/39/27/560793927.db2.gz YDYCRGQNDZNQFH-NHFJDJAPSA-N 0 0 424.456 5.307 50 30 HKEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(OCCCC)c(OC)c2)o1 ZINC000101411347 560794415 /nfs/dbraw/zinc/79/44/15/560794415.db2.gz GGWRNVGAWYHVQU-KOEQRZSOSA-N 0 0 412.534 5.693 50 30 HKEARN CCCCCCCc1nc(C#N)c(N=NCc2cccc(OCc3ccccc3)c2)o1 ZINC000101411380 520069770 /nfs/dbraw/zinc/06/97/70/520069770.db2.gz MVFVUAPADHIQHB-OVVQPSECSA-N 0 0 416.525 6.084 50 30 HKEARN CCCCCCCCCCCCCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000101424639 519988154 /nfs/dbraw/zinc/98/81/54/519988154.db2.gz JNJYQCGJCXITGZ-UHFFFAOYSA-N 0 0 412.618 7.235 50 30 HKEARN O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccccc1)C(=O)c1ccccc1 ZINC000101426321 560794219 /nfs/dbraw/zinc/79/42/19/560794219.db2.gz KYFHFSDDSSLPNX-LGUFXXKBSA-N 0 0 412.276 5.283 50 30 HKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 ZINC000101427592 560794165 /nfs/dbraw/zinc/79/41/65/560794165.db2.gz KEKLIWGPHZPCAK-KRWDZBQOSA-N 0 0 410.514 5.032 50 30 HKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 ZINC000101427595 520063230 /nfs/dbraw/zinc/06/32/30/520063230.db2.gz KEKLIWGPHZPCAK-QGZVFWFLSA-N 0 0 410.514 5.032 50 30 HKEARN CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000101444204 520253884 /nfs/dbraw/zinc/25/38/84/520253884.db2.gz OBQBCHMEIBSHBO-UHFFFAOYSA-N 0 0 406.182 5.542 50 30 HKEARN CCc1ccc(/N=C2\S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 ZINC000101504600 559147181 /nfs/dbraw/zinc/14/71/81/559147181.db2.gz WNFCAXDYDYQIIQ-QMSJJHEMSA-N 0 0 408.567 5.923 50 30 HKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCCC)cc2)cc1 ZINC000101509206 559147182 /nfs/dbraw/zinc/14/71/82/559147182.db2.gz AQSFFEGQHZABAF-UHFFFAOYSA-N 0 0 410.598 7.768 50 30 HKEARN CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000101509225 559147198 /nfs/dbraw/zinc/14/71/98/559147198.db2.gz JSEVVWGKESAWHK-UHFFFAOYSA-N 0 0 420.549 6.540 50 30 HKEARN CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc32)S/C1=N/c1ccc(C)cc1 ZINC000101510518 560796662 /nfs/dbraw/zinc/79/66/62/560796662.db2.gz CJWNZLNBUZZUNA-HLTANSAUSA-N 0 0 402.519 5.781 50 30 HKEARN CC(Nc1ccccc1NC1=CC(=O)CC(C)(C)C1)=C1C(=O)c2ccccc2C1=O ZINC000101535782 520173723 /nfs/dbraw/zinc/17/37/23/520173723.db2.gz NNLSCLACTGKVEB-UHFFFAOYSA-N 0 0 400.478 5.137 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C(C)=O)c1 ZINC000101613958 121642849 /nfs/dbraw/zinc/64/28/49/121642849.db2.gz SMDMJFGHSDUFKE-BEIQUOEZSA-N 0 0 423.563 5.273 50 30 HKEARN CC/N=C1/S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CC ZINC000101633036 560797498 /nfs/dbraw/zinc/79/74/98/560797498.db2.gz GWNJVLOOORZMIL-AXMBFVIUSA-N 0 0 409.001 5.865 50 30 HKEARN O=C(C=CCc1ccc(Br)cc1)C=Cc1ccc(Br)cc1 ZINC000101642875 559147503 /nfs/dbraw/zinc/14/75/03/559147503.db2.gz IDNREQSDHURKJG-ZELSAPOASA-N 0 0 406.117 5.897 50 30 HKEARN C/N=C1\S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C ZINC000101643352 569014786 /nfs/dbraw/zinc/01/47/86/569014786.db2.gz VQKODWMVSQZFRY-SCTUZPNZSA-N 0 0 409.942 5.183 50 30 HKEARN Oc1ccc2ccccc2c1/C=N/CCCCCC/N=C/c1c(O)ccc2ccccc21 ZINC000101671894 526354444 /nfs/dbraw/zinc/35/44/44/526354444.db2.gz ALAJPMPJASASQJ-CZYCKNNWSA-N 0 0 424.544 6.503 50 30 HKEARN CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#Cc1ccccc1 ZINC000101674914 560797859 /nfs/dbraw/zinc/79/78/59/560797859.db2.gz NRUFSPVVXJCGNK-HIGLYJDASA-N 0 0 409.573 5.907 50 30 HKEARN CCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000101771730 559147903 /nfs/dbraw/zinc/14/79/03/559147903.db2.gz ULTFWGZIWDQDSW-SEYXRHQNSA-N 0 0 410.465 5.005 50 30 HKEARN C=CCCOC(=O)C(C)(C)SC(=S)SCCCCCCCCCCCC ZINC000101772675 559147998 /nfs/dbraw/zinc/14/79/98/559147998.db2.gz PJYDHYBGYFGBRC-UHFFFAOYSA-N 0 0 418.734 7.557 50 30 HKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CCCCC2 ZINC000101892575 569024893 /nfs/dbraw/zinc/02/48/93/569024893.db2.gz MMJQBNFCPJEPAV-WGOQTCKBSA-N 0 0 419.550 5.814 50 30 HKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CC[C@@H](C)C2 ZINC000101892677 560804454 /nfs/dbraw/zinc/80/44/54/560804454.db2.gz NCZUAVTYTIFJAP-FIKYGGOLSA-N 0 0 408.523 5.786 50 30 HKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CC[C@H](C)C2 ZINC000101892684 560804482 /nfs/dbraw/zinc/80/44/82/560804482.db2.gz NCZUAVTYTIFJAP-KIQCMGJBSA-N 0 0 408.523 5.786 50 30 HKEARN CCCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000101967254 559148704 /nfs/dbraw/zinc/14/87/04/559148704.db2.gz UEDNLNWLIMQFJD-UHFFFAOYSA-N 0 0 416.348 7.336 50 30 HKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C/c2ccc(/N=C/c3cnc(-c4ccccc4)nc3)cc2)C1=O ZINC000101989354 569321542 /nfs/dbraw/zinc/32/15/42/569321542.db2.gz KAKVNRIKKWSGEO-IZNRLCBBSA-N 0 0 423.560 6.549 50 30 HKEARN CC(C)[C@H]1CC[C@H](C)/C(=C/c2ccc(/N=C/c3cnc(-c4ccccc4)nc3)cc2)C1=O ZINC000101989357 569321599 /nfs/dbraw/zinc/32/15/99/569321599.db2.gz KAKVNRIKKWSGEO-FQRQRTFLSA-N 0 0 423.560 6.549 50 30 HKEARN CC(C)[C@@H]1CC[C@@H](C)/C(=C/c2ccc(/N=C/c3cnc(-c4ccccc4)nc3)cc2)C1=O ZINC000101989361 569321527 /nfs/dbraw/zinc/32/15/27/569321527.db2.gz KAKVNRIKKWSGEO-XJNYRMTQSA-N 0 0 423.560 6.549 50 30 HKEARN CC(C)[C@@H]1CC[C@H](C)/C(=C/c2ccc(/N=C/c3cnc(-c4ccccc4)nc3)cc2)C1=O ZINC000101989362 569321611 /nfs/dbraw/zinc/32/16/11/569321611.db2.gz KAKVNRIKKWSGEO-VIDNYXPFSA-N 0 0 423.560 6.549 50 30 HKEARN C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2cccc3cccnc32)o1 ZINC000101993714 559148846 /nfs/dbraw/zinc/14/88/46/559148846.db2.gz MGQNTOPFGJLXRG-LQKURTRISA-N 0 0 420.493 7.629 50 30 HKEARN FC(F)(F)c1c(C(F)(F)C(F)(F)F)nc2ccccc2c1Nc1ccccc1 ZINC000102031487 527679698 /nfs/dbraw/zinc/67/96/98/527679698.db2.gz SZFAOSWPNABWRB-UHFFFAOYSA-N 0 0 406.276 6.651 50 30 HKEARN CCCCCCCCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 ZINC000102034120 560807485 /nfs/dbraw/zinc/80/74/85/560807485.db2.gz COAHDZRNPNIUKC-UHFFFAOYSA-N 0 0 421.669 8.359 50 30 HKEARN O=C1C(F)=C(Oc2c(F)c(F)c(F)c(F)c2F)C(F)=C(F)[C@@]1(F)c1ccccc1 ZINC000102038922 560807482 /nfs/dbraw/zinc/80/74/82/560807482.db2.gz VMDOAGVHQZDDSM-SFHVURJKSA-N 0 0 424.218 5.540 50 30 HKEARN O=C1C(F)=C(Oc2c(F)c(F)c(F)c(F)c2F)C(F)=C(F)[C@]1(F)c1ccccc1 ZINC000102038925 560807456 /nfs/dbraw/zinc/80/74/56/560807456.db2.gz VMDOAGVHQZDDSM-GOSISDBHSA-N 0 0 424.218 5.540 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1Cl ZINC000102044444 560805922 /nfs/dbraw/zinc/80/59/22/560805922.db2.gz VJJQYDMOPIQGRV-IBGZPJMESA-N 0 0 419.912 5.020 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1Cl ZINC000102044450 560805867 /nfs/dbraw/zinc/80/58/67/560805867.db2.gz VJJQYDMOPIQGRV-LJQANCHMSA-N 0 0 419.912 5.020 50 30 HKEARN C=C1CCc2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc21 ZINC000102054406 518665102 /nfs/dbraw/zinc/66/51/02/518665102.db2.gz JYBKRENUNWLGBC-UHFFFAOYSA-N 0 0 411.674 8.846 50 30 HKEARN CCCCCCCOc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1 ZINC000102057798 560807479 /nfs/dbraw/zinc/80/74/79/560807479.db2.gz MWLZUMQIKQHRFQ-UHFFFAOYSA-N 0 0 415.533 6.661 50 30 HKEARN CCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)CC)C2 ZINC000102065600 560807677 /nfs/dbraw/zinc/80/76/77/560807677.db2.gz SYQCSUAOOCSYQR-INIZCTEOSA-N 0 0 406.636 6.077 50 30 HKEARN CCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 ZINC000102065604 519973554 /nfs/dbraw/zinc/97/35/54/519973554.db2.gz SYQCSUAOOCSYQR-MRXNPFEDSA-N 0 0 406.636 6.077 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000102065709 560807698 /nfs/dbraw/zinc/80/76/98/560807698.db2.gz UHLBHGJTTSODFB-KRWDZBQOSA-N 0 0 407.620 6.519 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 ZINC000102065712 560807647 /nfs/dbraw/zinc/80/76/47/560807647.db2.gz UHLBHGJTTSODFB-QGZVFWFLSA-N 0 0 407.620 6.519 50 30 HKEARN CCCCCCC[C@@H]1C(=O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 ZINC000102068221 560807679 /nfs/dbraw/zinc/80/76/79/560807679.db2.gz MQYJBRIBYJJYCI-DGWZTRNLSA-N 0 0 409.570 6.025 50 30 HKEARN CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 ZINC000102068229 560807670 /nfs/dbraw/zinc/80/76/70/560807670.db2.gz MQYJBRIBYJJYCI-RMTZWNOUSA-N 0 0 409.570 6.025 50 30 HKEARN CCCCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000102079642 520019815 /nfs/dbraw/zinc/01/98/15/520019815.db2.gz HTTILCOCTYNYNB-UHFFFAOYSA-N 0 0 423.984 7.853 50 30 HKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 ZINC000102079655 559149096 /nfs/dbraw/zinc/14/90/96/559149096.db2.gz DWHHRKDGKSYXRU-UHFFFAOYSA-N 0 0 409.957 7.381 50 30 HKEARN CCCCCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 ZINC000102091821 559149191 /nfs/dbraw/zinc/14/91/91/559149191.db2.gz LLIITSNPAKGEKJ-UHFFFAOYSA-N 0 0 401.959 7.052 50 30 HKEARN CCCCCCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 ZINC000102091827 559149194 /nfs/dbraw/zinc/14/91/94/559149194.db2.gz XBRGUHCQQSYWET-UHFFFAOYSA-N 0 0 415.986 7.442 50 30 HKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)CC2 ZINC000102096947 560807616 /nfs/dbraw/zinc/80/76/16/560807616.db2.gz FQUGRYOMZNPDPI-UHFFFAOYSA-N 0 0 413.646 8.016 50 30 HKEARN CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 ZINC000102128961 560807939 /nfs/dbraw/zinc/80/79/39/560807939.db2.gz MQYJBRIBYJJYCI-USZFVNFHSA-N 0 0 409.570 6.025 50 30 HKEARN CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCCO ZINC000102129356 560807954 /nfs/dbraw/zinc/80/79/54/560807954.db2.gz OVHKDRIZYJUXHT-UHFFFAOYSA-N 0 0 416.734 8.978 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000102137238 560808131 /nfs/dbraw/zinc/80/81/31/560808131.db2.gz WHGDLJBZLIXNHH-NRFANRHFSA-N 0 0 421.447 5.347 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000102137241 560808151 /nfs/dbraw/zinc/80/81/51/560808151.db2.gz WHGDLJBZLIXNHH-OAQYLSRUSA-N 0 0 421.447 5.347 50 30 HKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OC(F)F)C1=C(CCCC1=O)N2 ZINC000102144048 560808127 /nfs/dbraw/zinc/80/81/27/560808127.db2.gz HCOXYQWOPIAZMH-NRFANRHFSA-N 0 0 421.447 5.347 50 30 HKEARN CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N\Cc1ccccc1 ZINC000102145682 560808244 /nfs/dbraw/zinc/80/82/44/560808244.db2.gz QGXOAGMWQOLCDK-WFAAQJSFSA-N 0 0 409.580 5.329 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1O ZINC000102148900 121651968 /nfs/dbraw/zinc/65/19/68/121651968.db2.gz KTPGMIOTMYQQHI-QHQVFXOCSA-N 0 0 411.552 5.085 50 30 HKEARN CC1(C)C(=O)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCCC1 ZINC000102221725 560809048 /nfs/dbraw/zinc/80/90/48/560809048.db2.gz HJISULFNASDQCZ-SXHXIUBKSA-N 0 0 419.613 5.281 50 30 HKEARN NC1=C(c2nc3ccccc3s2)C(=O)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000102236358 560808859 /nfs/dbraw/zinc/80/88/59/560808859.db2.gz JTEWQNUZFGQSQY-HXUWFJFHSA-N 0 0 417.921 5.408 50 30 HKEARN Clc1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000102265967 569039149 /nfs/dbraw/zinc/03/91/49/569039149.db2.gz NXGZPTCLULKMIF-BRJLIKDPSA-N 0 0 414.723 6.795 50 30 HKEARN O=C(/N=C1/SCC(=O)N1c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000102300895 559149762 /nfs/dbraw/zinc/14/97/62/559149762.db2.gz VVICEENSHLNTCU-XQNSMLJCSA-N 0 0 413.808 5.027 50 30 HKEARN O=C1c2cc(Br)ccc2N/C1=C1/Sc2c(ccc3ccccc23)C1=O ZINC000102311084 559149915 /nfs/dbraw/zinc/14/99/15/559149915.db2.gz XYWGINGZGDZNMW-CAPFRKAQSA-N 0 0 408.276 5.411 50 30 HKEARN CCCCCCCC/C=C/CCCCCCCCNC(=O)Nc1cccc(OC)c1 ZINC000102313792 569013191 /nfs/dbraw/zinc/01/31/91/569013191.db2.gz HTNMBLDCXMDPTK-ZHACJKMWSA-N 0 0 416.650 7.854 50 30 HKEARN CCCCCCCCCCCC(=O)N/C=C(/c1ccccc1)c1ccc(Cl)cc1 ZINC000102314200 569013170 /nfs/dbraw/zinc/01/31/70/569013170.db2.gz LHVDOQDUIIMIMA-DAFNUICNSA-N 0 0 412.017 7.766 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1 ZINC000102335533 560810049 /nfs/dbraw/zinc/81/00/49/560810049.db2.gz BTANZDLTOPFIHP-UHFFFAOYSA-N 0 0 402.542 5.896 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000102335594 560810022 /nfs/dbraw/zinc/81/00/22/560810022.db2.gz IWLBDNODTQUBNS-UHFFFAOYSA-N 0 0 406.505 5.727 50 30 HKEARN CCCCCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000102335726 520056268 /nfs/dbraw/zinc/05/62/68/520056268.db2.gz SVVPLFDVKUFOJE-UHFFFAOYSA-N 0 0 406.505 5.727 50 30 HKEARN CCCCCCCNC(=O)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000102350670 559149972 /nfs/dbraw/zinc/14/99/72/559149972.db2.gz RECYXDCRMLGAFU-UHFFFAOYSA-N 0 0 406.505 5.727 50 30 HKEARN CCCCCCCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1 ZINC000102350747 559149975 /nfs/dbraw/zinc/14/99/75/559149975.db2.gz HBKDOPANPBPYLO-UHFFFAOYSA-N 0 0 402.542 5.896 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102401886 560810538 /nfs/dbraw/zinc/81/05/38/560810538.db2.gz FSWJSXSJGOQEOW-HOGKFDNTSA-N 0 0 401.462 5.025 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102401889 560810522 /nfs/dbraw/zinc/81/05/22/560810522.db2.gz FSWJSXSJGOQEOW-MOBKVPTQSA-N 0 0 401.462 5.025 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 ZINC000102403985 519984521 /nfs/dbraw/zinc/98/45/21/519984521.db2.gz GSGSVRAOGNHSOJ-UHFFFAOYSA-N 0 0 407.620 6.663 50 30 HKEARN Cc1cc(/N=C/c2cc(Br)ccc2O)cc2nc(-c3ccccc3)oc21 ZINC000102414081 560810809 /nfs/dbraw/zinc/81/08/09/560810809.db2.gz WPECRDIYQYTJKU-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000102417254 559150229 /nfs/dbraw/zinc/15/02/29/559150229.db2.gz OZNQFOXJPJYLEQ-ZMOGYAJESA-N 0 0 419.824 5.997 50 30 HKEARN O=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1)c1cc2ccccc2o1 ZINC000102417264 527153393 /nfs/dbraw/zinc/15/33/93/527153393.db2.gz MEJBOBIVHRHBBI-ZVHZXABRSA-N 0 0 419.278 6.198 50 30 HKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O ZINC000102417268 559150257 /nfs/dbraw/zinc/15/02/57/559150257.db2.gz XTWSHZUVUYSOQZ-MFKUBSTISA-N 0 0 400.434 5.540 50 30 HKEARN O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)c1cc2ccccc2o1 ZINC000102417278 559150235 /nfs/dbraw/zinc/15/02/35/559150235.db2.gz JUUTYYWPMCROHS-JVWAILMASA-N 0 0 406.441 6.295 50 30 HKEARN O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1Cl)c1ccco1 ZINC000102417315 559150225 /nfs/dbraw/zinc/15/02/25/559150225.db2.gz GPOGMDLVEUPSGC-UFFVCSGVSA-N 0 0 419.662 5.404 50 30 HKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl)c1ccco1 ZINC000102417334 559150254 /nfs/dbraw/zinc/15/02/54/559150254.db2.gz IPGGOYJORMRTQX-UFFVCSGVSA-N 0 0 404.209 5.498 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3o2)cc1 ZINC000102417444 559150233 /nfs/dbraw/zinc/15/02/33/559150233.db2.gz QLRIOQUKRSWHOX-STBIYBPSSA-N 0 0 420.512 7.402 50 30 HKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O ZINC000102417451 521316155 /nfs/dbraw/zinc/31/61/55/521316155.db2.gz XHFZQRLURYOBGK-JVWAILMASA-N 0 0 414.505 6.647 50 30 HKEARN COc1cccc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O ZINC000102417454 559150273 /nfs/dbraw/zinc/15/02/73/559150273.db2.gz QDHOHYBSIZBOSF-CVKSISIWSA-N 0 0 400.478 6.257 50 30 HKEARN Cc1cccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)c1 ZINC000102417504 559150362 /nfs/dbraw/zinc/15/03/62/559150362.db2.gz QXJAIANUJZNZSG-FSJBWODESA-N 0 0 407.267 6.022 50 30 HKEARN Cc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102420063 559150368 /nfs/dbraw/zinc/15/03/68/559150368.db2.gz OIJSWFVEFIDWEP-LQKURTRISA-N 0 0 420.468 6.603 50 30 HKEARN COc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102422514 559150359 /nfs/dbraw/zinc/15/03/59/559150359.db2.gz HTTZVYBVSBDQGT-AFUMVMLFSA-N 0 0 404.853 6.098 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1 ZINC000102449844 560811578 /nfs/dbraw/zinc/81/15/78/560811578.db2.gz KRUPAYPFWTUIPT-IBGZPJMESA-N 0 0 419.912 5.020 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1 ZINC000102449851 560811683 /nfs/dbraw/zinc/81/16/83/560811683.db2.gz KRUPAYPFWTUIPT-LJQANCHMSA-N 0 0 419.912 5.020 50 30 HKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102453895 559150462 /nfs/dbraw/zinc/15/04/62/559150462.db2.gz MCYQVXXYNJKROK-UHFFFAOYSA-N 0 0 413.518 6.758 50 30 HKEARN CCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000102489994 560811905 /nfs/dbraw/zinc/81/19/05/560811905.db2.gz PITYSWHRJHNBLY-UHFFFAOYSA-N 0 0 406.526 5.547 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102496009 560812283 /nfs/dbraw/zinc/81/22/83/560812283.db2.gz NJXIINYOJVPBAA-SELCWUDQSA-N 0 0 424.909 5.040 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102496016 560812297 /nfs/dbraw/zinc/81/22/97/560812297.db2.gz NJXIINYOJVPBAA-GHNGSUTGSA-N 0 0 424.909 5.040 50 30 HKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102511355 560815101 /nfs/dbraw/zinc/81/51/01/560815101.db2.gz CGFCLQAGMNWYRE-JBCNATCCSA-N 0 0 421.855 5.101 50 30 HKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102511365 526955704 /nfs/dbraw/zinc/95/57/04/526955704.db2.gz CGFCLQAGMNWYRE-MRJHHRETSA-N 0 0 421.855 5.101 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102511468 560815131 /nfs/dbraw/zinc/81/51/31/560815131.db2.gz SGAPYMLXELPUIH-NHFXJNLRSA-N 0 0 424.283 5.620 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102511475 560815198 /nfs/dbraw/zinc/81/51/98/560815198.db2.gz SGAPYMLXELPUIH-YDJIHCHBSA-N 0 0 424.283 5.620 50 30 HKEARN CC(=O)C(=C(C)O)c1cc(Nc2cccc(C)c2)c2c3c1noc3-c1ccccc1C2=O ZINC000102516083 560815467 /nfs/dbraw/zinc/81/54/67/560815467.db2.gz RUQPXVCQUKFKSX-NHFJDJAPSA-N 0 0 424.456 5.307 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)sc1C ZINC000102521185 560815920 /nfs/dbraw/zinc/81/59/20/560815920.db2.gz LLPQAJWWARFNQC-SELCWUDQSA-N 0 0 424.909 5.040 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)sc1C ZINC000102521194 560815925 /nfs/dbraw/zinc/81/59/25/560815925.db2.gz LLPQAJWWARFNQC-GHNGSUTGSA-N 0 0 424.909 5.040 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102525713 560816201 /nfs/dbraw/zinc/81/62/01/560816201.db2.gz NTFIXDODTUVGPY-HOGKFDNTSA-N 0 0 417.892 5.583 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102525719 560816148 /nfs/dbraw/zinc/81/61/48/560816148.db2.gz NTFIXDODTUVGPY-MOBKVPTQSA-N 0 0 417.892 5.583 50 30 HKEARN O=c1c(C=[NH+]C2CCCCCC2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000102527742 560816296 /nfs/dbraw/zinc/81/62/96/560816296.db2.gz JAWDRYILECOUNC-FOKLQQMPSA-N 0 0 408.449 5.348 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl ZINC000102532969 560813501 /nfs/dbraw/zinc/81/35/01/560813501.db2.gz ARTVREJYTRZPIQ-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl ZINC000102532978 560813464 /nfs/dbraw/zinc/81/34/64/560813464.db2.gz ARTVREJYTRZPIQ-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102538471 560813946 /nfs/dbraw/zinc/81/39/46/560813946.db2.gz WEPFVKBHBHWXPV-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102538477 560813908 /nfs/dbraw/zinc/81/39/08/560813908.db2.gz WEPFVKBHBHWXPV-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102569521 560816602 /nfs/dbraw/zinc/81/66/02/560816602.db2.gz NXMOXMNEZFBRCY-HOGKFDNTSA-N 0 0 407.510 5.006 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102569529 560816619 /nfs/dbraw/zinc/81/66/19/560816619.db2.gz NXMOXMNEZFBRCY-MOBKVPTQSA-N 0 0 407.510 5.006 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 ZINC000102574837 560816705 /nfs/dbraw/zinc/81/67/05/560816705.db2.gz OENPMZABHUKSMV-HOGKFDNTSA-N 0 0 407.510 5.006 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102574842 560816678 /nfs/dbraw/zinc/81/66/78/560816678.db2.gz OENPMZABHUKSMV-MOBKVPTQSA-N 0 0 407.510 5.006 50 30 HKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102583491 560816962 /nfs/dbraw/zinc/81/69/62/560816962.db2.gz TVPYMKNVSJOBIA-JBCNATCCSA-N 0 0 421.880 5.117 50 30 HKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102583498 560816972 /nfs/dbraw/zinc/81/69/72/560816972.db2.gz TVPYMKNVSJOBIA-MRJHHRETSA-N 0 0 421.880 5.117 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000102587228 560817282 /nfs/dbraw/zinc/81/72/82/560817282.db2.gz DWJGWTFLHPAOEU-NHFXJNLRSA-N 0 0 424.283 5.620 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000102587234 560817263 /nfs/dbraw/zinc/81/72/63/560817263.db2.gz DWJGWTFLHPAOEU-YDJIHCHBSA-N 0 0 424.283 5.620 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102588256 560817334 /nfs/dbraw/zinc/81/73/34/560817334.db2.gz UEJWTGIHMWGGPS-IBGZPJMESA-N 0 0 400.434 5.373 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102588259 560817311 /nfs/dbraw/zinc/81/73/11/560817311.db2.gz UEJWTGIHMWGGPS-LJQANCHMSA-N 0 0 400.434 5.373 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102590106 560817361 /nfs/dbraw/zinc/81/73/61/560817361.db2.gz OBRWDCDXYJMPEY-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102590112 560817338 /nfs/dbraw/zinc/81/73/38/560817338.db2.gz OBRWDCDXYJMPEY-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC000102595708 560817672 /nfs/dbraw/zinc/81/76/72/560817672.db2.gz LAAZWXRNJIEGKN-HOGKFDNTSA-N 0 0 407.510 5.006 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC000102595715 520077286 /nfs/dbraw/zinc/07/72/86/520077286.db2.gz LAAZWXRNJIEGKN-MOBKVPTQSA-N 0 0 407.510 5.006 50 30 HKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102596255 560817675 /nfs/dbraw/zinc/81/76/75/560817675.db2.gz AYZRNULSKILFQY-SELCWUDQSA-N 0 0 404.293 5.215 50 30 HKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102596261 560817645 /nfs/dbraw/zinc/81/76/45/560817645.db2.gz AYZRNULSKILFQY-GHNGSUTGSA-N 0 0 404.293 5.215 50 30 HKEARN CCCCCCCCn1c(=S)n(CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000102609552 560818821 /nfs/dbraw/zinc/81/88/21/560818821.db2.gz NNHNYFCWJSDZMX-UHFFFAOYSA-N 0 0 423.026 5.385 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102609693 560818825 /nfs/dbraw/zinc/81/88/25/560818825.db2.gz ZNZFEERSWHYFFS-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102609700 560818858 /nfs/dbraw/zinc/81/88/58/560818858.db2.gz ZNZFEERSWHYFFS-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102612744 560818003 /nfs/dbraw/zinc/81/80/03/560818003.db2.gz MNHGMOPQHDUKSV-ZHHPLPSFSA-N 0 0 420.553 5.063 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102612750 569040893 /nfs/dbraw/zinc/04/08/93/569040893.db2.gz MNHGMOPQHDUKSV-AYWGPLOBSA-N 0 0 420.553 5.063 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000102616166 560818137 /nfs/dbraw/zinc/81/81/37/560818137.db2.gz IXXZHWNSIRWGOO-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000102616170 560818150 /nfs/dbraw/zinc/81/81/50/560818150.db2.gz IXXZHWNSIRWGOO-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1 ZINC000102618843 560818180 /nfs/dbraw/zinc/81/81/80/560818180.db2.gz QUUOEWIDBZYERS-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 ZINC000102618851 560818160 /nfs/dbraw/zinc/81/81/60/560818160.db2.gz QUUOEWIDBZYERS-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102624158 560818447 /nfs/dbraw/zinc/81/84/47/560818447.db2.gz NFUOOGDDWNYDJM-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102624166 560818371 /nfs/dbraw/zinc/81/83/71/560818371.db2.gz NFUOOGDDWNYDJM-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102624557 560818386 /nfs/dbraw/zinc/81/83/86/560818386.db2.gz GUDVMAICOPLWKQ-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102624564 560818422 /nfs/dbraw/zinc/81/84/22/560818422.db2.gz GUDVMAICOPLWKQ-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102625000 560818431 /nfs/dbraw/zinc/81/84/31/560818431.db2.gz SOVSBXVVBYSGGG-SBXHHDGASA-N 0 0 419.565 6.120 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102625005 560818439 /nfs/dbraw/zinc/81/84/39/560818439.db2.gz SOVSBXVVBYSGGG-NXLSWJSLSA-N 0 0 419.565 6.120 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102627767 560818533 /nfs/dbraw/zinc/81/85/33/560818533.db2.gz SEHFFJURRWGCQS-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102627773 560818517 /nfs/dbraw/zinc/81/85/17/560818517.db2.gz SEHFFJURRWGCQS-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN CCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000102642274 560819683 /nfs/dbraw/zinc/81/96/83/560819683.db2.gz TTZMPHUYFZNRFO-ZPHPHTNESA-N 0 0 418.566 5.491 50 30 HKEARN O=C(NCc1ccccc1)c1c2c(sc1/N=C/c1ccc3c(c1)OCO3)CCCC2 ZINC000102656327 560819066 /nfs/dbraw/zinc/81/90/66/560819066.db2.gz BMIGTXYIXHJPND-VULFUBBASA-N 0 0 418.518 5.036 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1Cl ZINC000102663486 569041210 /nfs/dbraw/zinc/04/12/10/569041210.db2.gz URCIQXQXDAZPPL-IBGZPJMESA-N 0 0 424.327 6.771 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102663487 520288880 /nfs/dbraw/zinc/28/88/80/520288880.db2.gz URCIQXQXDAZPPL-LJQANCHMSA-N 0 0 424.327 6.771 50 30 HKEARN C=CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000102682402 560821289 /nfs/dbraw/zinc/82/12/89/560821289.db2.gz TVOZQNAPBHNPSP-AZGAKELHSA-N 0 0 412.489 5.502 50 30 HKEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1SCC(F)(F)F ZINC000102706402 560820683 /nfs/dbraw/zinc/82/06/83/560820683.db2.gz ZKENAQKZORDKCP-UHFFFAOYSA-N 0 0 415.305 5.218 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1 ZINC000102718503 569041369 /nfs/dbraw/zinc/04/13/69/569041369.db2.gz KAQQEFPWPYRBGN-ZHHPLPSFSA-N 0 0 424.456 5.071 50 30 HKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1 ZINC000102718504 560823406 /nfs/dbraw/zinc/82/34/06/560823406.db2.gz KAQQEFPWPYRBGN-AYWGPLOBSA-N 0 0 424.456 5.071 50 30 HKEARN CCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102755264 560825893 /nfs/dbraw/zinc/82/58/93/560825893.db2.gz QUNLWPZFVAWEDT-DEOSSOPVSA-N 0 0 407.554 6.577 50 30 HKEARN CCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102755265 560825839 /nfs/dbraw/zinc/82/58/39/560825839.db2.gz QUNLWPZFVAWEDT-XMMPIXPASA-N 0 0 407.554 6.577 50 30 HKEARN CCCCCCCCNC(=O)c1ccc(Nc2cccc(Cl)c2)c(NC(C)=O)c1 ZINC000102772941 560825234 /nfs/dbraw/zinc/82/52/34/560825234.db2.gz UJXWOBWNVFFFPE-UHFFFAOYSA-N 0 0 415.965 6.132 50 30 HKEARN CCCCCCCCCCCCCCCCCC/N=C\c1c(O)ccc2ccccc21 ZINC000102774356 559152789 /nfs/dbraw/zinc/15/27/89/559152789.db2.gz JAYIUYNQPAYHPU-JVCXMKTPSA-N 0 0 423.685 9.226 50 30 HKEARN CCCCCCCCOc1ccc(Cl)cc1/C=C1\S/C(=N\C(C)=O)NC1=O ZINC000102779920 560825543 /nfs/dbraw/zinc/82/55/43/560825543.db2.gz ADQGQSSIMLYLFZ-AQTBWJFISA-N 0 0 408.951 5.186 50 30 HKEARN Cc1cc2c(cc1/C=N\c1sc3c(c1C(=O)NC1CCCCC1)CCCC3)OCO2 ZINC000102789251 525592443 /nfs/dbraw/zinc/59/24/43/525592443.db2.gz YFDUYZFYLBOJKR-MXAYSNPKSA-N 0 0 424.566 5.477 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102800930 560828572 /nfs/dbraw/zinc/82/85/72/560828572.db2.gz IRCWOZKJYUCHBH-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102800932 560828459 /nfs/dbraw/zinc/82/84/59/560828459.db2.gz IRCWOZKJYUCHBH-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102801071 560828593 /nfs/dbraw/zinc/82/85/93/560828593.db2.gz OXRHTNKFQLHOGB-ZHHPLPSFSA-N 0 0 405.538 5.812 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102801073 560828602 /nfs/dbraw/zinc/82/86/02/560828602.db2.gz OXRHTNKFQLHOGB-AYWGPLOBSA-N 0 0 405.538 5.812 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000102802297 560828770 /nfs/dbraw/zinc/82/87/70/560828770.db2.gz OGRWTZFYXGVYJS-JBCNATCCSA-N 0 0 411.929 5.650 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl ZINC000102802299 560828787 /nfs/dbraw/zinc/82/87/87/560828787.db2.gz OGRWTZFYXGVYJS-MRJHHRETSA-N 0 0 411.929 5.650 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102802560 560828869 /nfs/dbraw/zinc/82/88/69/560828869.db2.gz BUUINLUUDZGCIG-JBCNATCCSA-N 0 0 411.929 5.650 50 30 HKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102802563 560828886 /nfs/dbraw/zinc/82/88/86/560828886.db2.gz BUUINLUUDZGCIG-MRJHHRETSA-N 0 0 411.929 5.650 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000102803155 560826506 /nfs/dbraw/zinc/82/65/06/560826506.db2.gz GWLDMHGQQNVKIE-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000102803158 560826471 /nfs/dbraw/zinc/82/64/71/560826471.db2.gz GWLDMHGQQNVKIE-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN CCCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc21 ZINC000102817991 560829511 /nfs/dbraw/zinc/82/95/11/560829511.db2.gz UHAIIKZTQWFVJB-UHFFFAOYSA-N 0 0 424.589 6.264 50 30 HKEARN COc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000102822817 560829673 /nfs/dbraw/zinc/82/96/73/560829673.db2.gz HNJBRDTZPMCWFO-XDJHFCHBSA-N 0 0 415.445 5.277 50 30 HKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2n1C(F)F ZINC000102853555 560830786 /nfs/dbraw/zinc/83/07/86/560830786.db2.gz JIGIEWFBIWLLCB-UNOMPAQXSA-N 0 0 413.493 5.404 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102856826 560830872 /nfs/dbraw/zinc/83/08/72/560830872.db2.gz PCEHNVGTLCVFLP-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102856830 560830883 /nfs/dbraw/zinc/83/08/83/560830883.db2.gz PCEHNVGTLCVFLP-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102858135 560831093 /nfs/dbraw/zinc/83/10/93/560831093.db2.gz FJIXAXPEIBWPBD-SELCWUDQSA-N 0 0 424.909 5.040 50 30 HKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102858138 560831175 /nfs/dbraw/zinc/83/11/75/560831175.db2.gz FJIXAXPEIBWPBD-GHNGSUTGSA-N 0 0 424.909 5.040 50 30 HKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102858721 560831198 /nfs/dbraw/zinc/83/11/98/560831198.db2.gz ZQYQUVACOFFCCJ-HOGKFDNTSA-N 0 0 415.489 5.199 50 30 HKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102858722 519050025 /nfs/dbraw/zinc/05/00/25/519050025.db2.gz ZQYQUVACOFFCCJ-MOBKVPTQSA-N 0 0 415.489 5.199 50 30 HKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102861285 560831852 /nfs/dbraw/zinc/83/18/52/560831852.db2.gz ZYJPYFHTSJJTKR-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102861289 560831855 /nfs/dbraw/zinc/83/18/55/560831855.db2.gz ZYJPYFHTSJJTKR-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102865467 560832540 /nfs/dbraw/zinc/83/25/40/560832540.db2.gz XSNPHSQMFQZBPF-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102865469 560832568 /nfs/dbraw/zinc/83/25/68/560832568.db2.gz XSNPHSQMFQZBPF-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102876514 560830501 /nfs/dbraw/zinc/83/05/01/560830501.db2.gz QONZNSORGVXTEL-NHFXJNLRSA-N 0 0 418.518 5.201 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102876515 560830562 /nfs/dbraw/zinc/83/05/62/560830562.db2.gz QONZNSORGVXTEL-YDJIHCHBSA-N 0 0 418.518 5.201 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102881824 560833930 /nfs/dbraw/zinc/83/39/30/560833930.db2.gz GOMHZTZHYBGVKG-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102881826 560833977 /nfs/dbraw/zinc/83/39/77/560833977.db2.gz GOMHZTZHYBGVKG-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN CCCCCCCCCCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000102923247 560834192 /nfs/dbraw/zinc/83/41/92/560834192.db2.gz XMTBAZVHWZYYAS-UHFFFAOYSA-N 0 0 414.442 7.859 50 30 HKEARN COc1ccc(OC)c([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000102927234 524890827 /nfs/dbraw/zinc/89/08/27/524890827.db2.gz SSXDLXNXEITOER-NRFANRHFSA-N 0 0 415.489 5.482 50 30 HKEARN COc1ccc(OC)c([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000102927236 560834486 /nfs/dbraw/zinc/83/44/86/560834486.db2.gz SSXDLXNXEITOER-OAQYLSRUSA-N 0 0 415.489 5.482 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000102927313 560834417 /nfs/dbraw/zinc/83/44/17/560834417.db2.gz YDIXPKOBVHMNDE-JBCNATCCSA-N 0 0 418.518 5.201 50 30 HKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000102927315 560834452 /nfs/dbraw/zinc/83/44/52/560834452.db2.gz YDIXPKOBVHMNDE-MRJHHRETSA-N 0 0 418.518 5.201 50 30 HKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102929039 560834749 /nfs/dbraw/zinc/83/47/49/560834749.db2.gz WAANNZRYJWWDSY-LFVOPCPISA-N 0 0 422.481 5.032 50 30 HKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102929040 560834708 /nfs/dbraw/zinc/83/47/08/560834708.db2.gz WAANNZRYJWWDSY-WOOAAIBNSA-N 0 0 422.481 5.032 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000102930123 560835895 /nfs/dbraw/zinc/83/58/95/560835895.db2.gz RJUSCLCKSYZBEZ-CJFMBICVSA-N 0 0 417.508 6.531 50 30 HKEARN Cc1ccc([C@@H]2C3=C(NC4=C2C(=O)C[C@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000102930125 525793374 /nfs/dbraw/zinc/79/33/74/525793374.db2.gz RJUSCLCKSYZBEZ-NLFFAJNJSA-N 0 0 417.508 6.531 50 30 HKEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)C[C@@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000102930127 560835914 /nfs/dbraw/zinc/83/59/14/560835914.db2.gz RJUSCLCKSYZBEZ-NBGIEHNGSA-N 0 0 417.508 6.531 50 30 HKEARN Cc1ccc([C@@H]2C3=C(NC4=C2C(=O)C[C@@H](c2ccccc2)C4)c2ccccc2C3=O)cc1 ZINC000102930129 560835934 /nfs/dbraw/zinc/83/59/34/560835934.db2.gz RJUSCLCKSYZBEZ-CPJSRVTESA-N 0 0 417.508 6.531 50 30 HKEARN CC(C)CCN(CCC(C)C)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 ZINC000102941026 519651829 /nfs/dbraw/zinc/65/18/29/519651829.db2.gz FTUJRBNVIYFXCA-QURGRASLSA-N 0 0 406.617 5.278 50 30 HKEARN O=C1/C(=C\c2ccccc2OC(F)F)CCCC/C1=C/c1ccccc1OC(F)F ZINC000102957746 569050264 /nfs/dbraw/zinc/05/02/64/569050264.db2.gz IRXPXLQZVVUOLW-JTFWXBGUSA-N 0 0 420.402 6.500 50 30 HKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102960411 560835706 /nfs/dbraw/zinc/83/57/06/560835706.db2.gz HBUVNOADDUOJFD-BJKOFHAPSA-N 0 0 412.449 5.019 50 30 HKEARN CCCCCCCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000102967665 519998522 /nfs/dbraw/zinc/99/85/22/519998522.db2.gz SBQIVGVYTYMNNS-UHFFFAOYSA-N 0 0 418.710 7.736 50 30 HKEARN CCCCCCCC(=O)N(C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1 ZINC000102991654 519962009 /nfs/dbraw/zinc/96/20/09/519962009.db2.gz ITNVHRGNFGAIQU-UHFFFAOYSA-N 0 0 402.538 6.431 50 30 HKEARN CCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000102992122 560836569 /nfs/dbraw/zinc/83/65/69/560836569.db2.gz PZHSFPYLPXVVDH-UHFFFAOYSA-N 0 0 408.995 5.099 50 30 HKEARN CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1 ZINC000102992332 560836606 /nfs/dbraw/zinc/83/66/06/560836606.db2.gz XWCXPJDSUBUCMR-UHFFFAOYSA-N 0 0 422.617 5.002 50 30 HKEARN CCCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000102992404 560836556 /nfs/dbraw/zinc/83/65/56/560836556.db2.gz OHSPUOJLAQNEJH-UHFFFAOYSA-N 0 0 414.619 5.195 50 30 HKEARN CCCCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn21 ZINC000102993298 519964147 /nfs/dbraw/zinc/96/41/47/519964147.db2.gz WHLLTIQEHIYDTM-UHFFFAOYSA-N 0 0 409.530 5.626 50 30 HKEARN CCCCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2cc(C)ccn21 ZINC000102993324 560836559 /nfs/dbraw/zinc/83/65/59/560836559.db2.gz BLGSRNQEKDGABN-UHFFFAOYSA-N 0 0 409.530 5.626 50 30 HKEARN CCCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000102993379 560836553 /nfs/dbraw/zinc/83/65/53/560836553.db2.gz YRQLZIPUBMWTBF-UHFFFAOYSA-N 0 0 403.448 6.319 50 30 HKEARN CCCCCCCC(=O)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000102993409 560836594 /nfs/dbraw/zinc/83/65/94/560836594.db2.gz OUCRZUKXXCKXOB-UHFFFAOYSA-N 0 0 408.464 6.538 50 30 HKEARN CCCCCCCC(=O)Nc1cc(-c2onc3c2CCc2ccccc2-3)ccc1OC ZINC000102993437 560836593 /nfs/dbraw/zinc/83/65/93/560836593.db2.gz AHFUWTMDAKRUIR-UHFFFAOYSA-N 0 0 418.537 6.415 50 30 HKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000102993440 560836596 /nfs/dbraw/zinc/83/65/96/560836596.db2.gz CSFJBRFSOGDRFZ-UHFFFAOYSA-N 0 0 410.389 6.776 50 30 HKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Br)cc1 ZINC000102993453 519964007 /nfs/dbraw/zinc/96/40/07/519964007.db2.gz UAYUPZDIHIPUNR-UHFFFAOYSA-N 0 0 420.395 6.231 50 30 HKEARN CCCCCCCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000102993463 519963319 /nfs/dbraw/zinc/96/33/19/519963319.db2.gz MDUKWZPHABDPHI-UHFFFAOYSA-N 0 0 419.447 6.450 50 30 HKEARN CCCCCCCC(=O)Nc1cc(-c2ccc(OC)cc2)nn1-c1ccc(C)cc1 ZINC000102993465 519963849 /nfs/dbraw/zinc/96/38/49/519963849.db2.gz MRPAGAASYFKSMS-UHFFFAOYSA-N 0 0 405.542 6.155 50 30 HKEARN CCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCc2ccccc2)c1 ZINC000102993535 519966838 /nfs/dbraw/zinc/96/68/38/519966838.db2.gz YJKARHAXXRYBLR-UHFFFAOYSA-N 0 0 421.585 5.516 50 30 HKEARN CCCCCCCC(=O)Nc1ccc(-c2onc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000102993654 560836595 /nfs/dbraw/zinc/83/65/95/560836595.db2.gz LDJGMQQFNMJNKB-UHFFFAOYSA-N 0 0 418.537 6.415 50 30 HKEARN CCCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(C)cc1 ZINC000102995975 560836228 /nfs/dbraw/zinc/83/62/28/560836228.db2.gz YALCLIYCIZGJPC-UHFFFAOYSA-N 0 0 402.604 5.144 50 30 HKEARN CCCCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000102996013 519971186 /nfs/dbraw/zinc/97/11/86/519971186.db2.gz LPVFNDNOCWQRFW-HSZRJFAPSA-N 0 0 404.554 6.909 50 30 HKEARN CCCCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000102996015 560836262 /nfs/dbraw/zinc/83/62/62/560836262.db2.gz LPVFNDNOCWQRFW-QHCPKHFHSA-N 0 0 404.554 6.909 50 30 HKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2cc(C)ccn21 ZINC000102996482 560836270 /nfs/dbraw/zinc/83/62/70/560836270.db2.gz WIJYYJZUCXQDQR-UHFFFAOYSA-N 0 0 423.557 6.016 50 30 HKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000102996515 560836219 /nfs/dbraw/zinc/83/62/19/560836219.db2.gz JHGNHIDTVSXZGV-UHFFFAOYSA-N 0 0 417.475 6.709 50 30 HKEARN CCCCCCCCCC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000102997867 560836267 /nfs/dbraw/zinc/83/62/67/560836267.db2.gz QGBBXJHSAPVYSE-UHFFFAOYSA-N 0 0 417.981 6.237 50 30 HKEARN CCCCCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000102997953 560836230 /nfs/dbraw/zinc/83/62/30/560836230.db2.gz MMFFVXZDLPXPFZ-XMMPIXPASA-N 0 0 418.581 7.299 50 30 HKEARN CCCCCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000102997955 560836260 /nfs/dbraw/zinc/83/62/60/560836260.db2.gz MMFFVXZDLPXPFZ-DEOSSOPVSA-N 0 0 418.581 7.299 50 30 HKEARN CCCCCCCCCC(=O)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000102998094 519974963 /nfs/dbraw/zinc/97/49/63/519974963.db2.gz KLGWSADCRFHCJW-UHFFFAOYSA-N 0 0 416.609 6.715 50 30 HKEARN CCCCCCCCCCCC(=O)N(CCCCCC)CC(=O)Nc1ccon1 ZINC000102999674 560836400 /nfs/dbraw/zinc/83/64/00/560836400.db2.gz QSFCRBJUSZIZFE-UHFFFAOYSA-N 0 0 407.599 5.943 50 30 HKEARN CCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1 ZINC000102999679 519982429 /nfs/dbraw/zinc/98/24/29/519982429.db2.gz DTCBEXITVOZVIW-UHFFFAOYSA-N 0 0 407.599 5.717 50 30 HKEARN CCCCCCCCCCCC(=O)N1CCC2(CC1)NC(=O)c1cccc(C)c1N2 ZINC000102999833 560836398 /nfs/dbraw/zinc/83/63/98/560836398.db2.gz VFNYTIXWYMIOSQ-UHFFFAOYSA-N 0 0 413.606 5.390 50 30 HKEARN CCCCCCCCCCCC(=O)N1CCC2(CC1)Nc1ccc(C)cc1C(=O)N2 ZINC000102999844 560836356 /nfs/dbraw/zinc/83/63/56/560836356.db2.gz JIPGXWSXJDPMPS-UHFFFAOYSA-N 0 0 413.606 5.390 50 30 HKEARN CCCCCCCCCCCC(=O)Nc1cc(-c2onc3c2CCCC3)ccc1C ZINC000103000049 519982401 /nfs/dbraw/zinc/98/24/01/519982401.db2.gz SEVPQIDMGDHBQT-UHFFFAOYSA-N 0 0 410.602 7.388 50 30 HKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C1CC1 ZINC000103000611 519986680 /nfs/dbraw/zinc/98/66/80/519986680.db2.gz LPYZDGRWIQHPCB-UHFFFAOYSA-N 0 0 405.583 5.614 50 30 HKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)CC(C)C ZINC000103000664 560836367 /nfs/dbraw/zinc/83/63/67/560836367.db2.gz NPHQLRRUCPKEEB-UHFFFAOYSA-N 0 0 407.599 5.799 50 30 HKEARN CCCCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1ccon1 ZINC000103000672 560836399 /nfs/dbraw/zinc/83/63/99/560836399.db2.gz AFHVSJMEVIDUOR-UHFFFAOYSA-N 0 0 421.626 6.189 50 30 HKEARN CCCCCCCCCCCCCC(=O)N(CCC)CC(=O)Nc1ncc(C)s1 ZINC000103000673 560836352 /nfs/dbraw/zinc/83/63/52/560836352.db2.gz PUQGPMGGUMRGJW-UHFFFAOYSA-N 0 0 423.667 6.330 50 30 HKEARN C=CCN(CC(=O)Nc1cc(C)on1)C(=O)CCCCCCCCCCCCC ZINC000103000682 560836401 /nfs/dbraw/zinc/83/64/01/560836401.db2.gz FEVLFOQTKRMKTQ-UHFFFAOYSA-N 0 0 405.583 5.637 50 30 HKEARN CCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCSCC3)cc2)cc1 ZINC000103017080 560836771 /nfs/dbraw/zinc/83/67/71/560836771.db2.gz IUHVHIHEEKTOGF-UHFFFAOYSA-N 0 0 412.595 6.866 50 30 HKEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000103018488 559154257 /nfs/dbraw/zinc/15/42/57/559154257.db2.gz NEMIYKSVLMBKHI-LCUIJRPUSA-N 0 0 418.562 5.374 50 30 HKEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 ZINC000103022936 559154245 /nfs/dbraw/zinc/15/42/45/559154245.db2.gz YXJYBKJPMKIQEG-CVKSISIWSA-N 0 0 402.519 5.837 50 30 HKEARN CCCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1ncc(C)s1 ZINC000103033313 560836674 /nfs/dbraw/zinc/83/66/74/560836674.db2.gz KHMNSQCSLJBFKV-UHFFFAOYSA-N 0 0 423.667 6.330 50 30 HKEARN CCCCCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1cc(C)on1 ZINC000103033316 560836620 /nfs/dbraw/zinc/83/66/20/560836620.db2.gz UUSITCOPGSGPDM-UHFFFAOYSA-N 0 0 407.599 5.861 50 30 HKEARN CCCCCCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1 ZINC000103065653 560837308 /nfs/dbraw/zinc/83/73/08/560837308.db2.gz NYUWALCFWMIVCV-UHFFFAOYSA-N 0 0 407.599 5.943 50 30 HKEARN Cc1nc(C(F)(F)F)ccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000103120838 560838123 /nfs/dbraw/zinc/83/81/23/560838123.db2.gz FSQGQORDNDJOKE-IUCAKERBSA-N 0 0 422.291 5.048 50 30 HKEARN Cc1nc(C(F)(F)F)ccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000103120840 560838072 /nfs/dbraw/zinc/83/80/72/560838072.db2.gz FSQGQORDNDJOKE-RKDXNWHRSA-N 0 0 422.291 5.048 50 30 HKEARN CCCCc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000103168051 521288602 /nfs/dbraw/zinc/28/86/02/521288602.db2.gz UPLHOAGYRVAELG-HSZRJFAPSA-N 0 0 411.545 6.807 50 30 HKEARN CCCCc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000103168056 560839732 /nfs/dbraw/zinc/83/97/32/560839732.db2.gz UPLHOAGYRVAELG-QHCPKHFHSA-N 0 0 411.545 6.807 50 30 HKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000103168282 527607505 /nfs/dbraw/zinc/60/75/05/527607505.db2.gz NVPRMCVGVSRSBD-IAGONARPSA-N 0 0 407.296 6.786 50 30 HKEARN CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccccc2)C1=O ZINC000103170165 560839752 /nfs/dbraw/zinc/83/97/52/560839752.db2.gz SHBFCLMVOFDFPX-LFIBNONCSA-N 0 0 419.424 5.249 50 30 HKEARN C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000103175106 560839856 /nfs/dbraw/zinc/83/98/56/560839856.db2.gz DOFJEHVXUDMMPE-AHWVRZQESA-N 0 0 412.489 5.502 50 30 HKEARN CCCCCCCC(=O)N(CCOC)Cc1cccn1Cc1cccc(Cl)c1 ZINC000103195864 560840150 /nfs/dbraw/zinc/84/01/50/560840150.db2.gz NWLBMACTQZYDRA-UHFFFAOYSA-N 0 0 404.982 5.525 50 30 HKEARN O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c1 ZINC000103423076 559155704 /nfs/dbraw/zinc/15/57/04/559155704.db2.gz PWLRATBJLZHMGG-FSJBWODESA-N 0 0 411.248 5.967 50 30 HKEARN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000103431248 560842309 /nfs/dbraw/zinc/84/23/09/560842309.db2.gz MJBSQIBAZLCWAD-HPVIMXLTSA-N 0 0 407.886 6.517 50 30 HKEARN Cc1ccc(N[P@](=O)(Nc2ccccc2)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000103447105 560842361 /nfs/dbraw/zinc/84/23/61/560842361.db2.gz NILQHQACEVAQHN-HHHXNRCGSA-N 0 0 414.261 6.503 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1 ZINC000103459684 559155968 /nfs/dbraw/zinc/15/59/68/559155968.db2.gz GQYCYKNHEHGWAM-DWNWEZKESA-N 0 0 401.944 5.334 50 30 HKEARN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 ZINC000103504870 560842643 /nfs/dbraw/zinc/84/26/43/560842643.db2.gz JOHUABUYSVBPDE-CYBMUJFWSA-N 0 0 421.280 5.617 50 30 HKEARN Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 ZINC000103504873 560842645 /nfs/dbraw/zinc/84/26/45/560842645.db2.gz JOHUABUYSVBPDE-ZDUSSCGKSA-N 0 0 421.280 5.617 50 30 HKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/N=C/C=C/c1ccccc1 ZINC000103529073 560842973 /nfs/dbraw/zinc/84/29/73/560842973.db2.gz JTIVNXQUASPVCN-FPLBCCSPSA-N 0 0 424.367 5.765 50 30 HKEARN O=c1c(C=[NH+]CCc2ccccc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000103539916 559156151 /nfs/dbraw/zinc/15/61/51/559156151.db2.gz YXNDBRFQHLQFLX-YZSQISJMSA-N 0 0 424.529 5.104 50 30 HKEARN CCCCCCCCCCCCS(=O)(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000103600982 559156525 /nfs/dbraw/zinc/15/65/25/559156525.db2.gz WQOBMOYCYLMGKH-UHFFFAOYSA-N 0 0 406.510 6.126 50 30 HKEARN COc1ccc(C2=C(N3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3C2=O)cc1 ZINC000103610972 559156521 /nfs/dbraw/zinc/15/65/21/559156521.db2.gz UWZWOIJXIIUWNW-HXUWFJFHSA-N 0 0 424.544 5.279 50 30 HKEARN C=CCn1cc(-c2ccc(Br)cc2)s/c1=N/c1ccc(OCC)cc1 ZINC000103618324 568968501 /nfs/dbraw/zinc/96/85/01/568968501.db2.gz FSTFYZMTMPOTMN-LSDHQDQOSA-N 0 0 415.356 5.796 50 30 HKEARN Cc1cc(C)nc(S/C(=N/c2cc([N+](=O)[O-])ccc2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000103633951 559156642 /nfs/dbraw/zinc/15/66/42/559156642.db2.gz SVLRQLMSCHCRBW-FCDQGJHFSA-N 0 0 423.454 5.089 50 30 HKEARN O=c1c(C=[NH+]Cc2cccs2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000103638963 559156619 /nfs/dbraw/zinc/15/66/19/559156619.db2.gz ZZRMOLBOUAPXGL-OEAKJJBVSA-N 0 0 416.531 5.123 50 30 HKEARN N#Cc1ccccc1/N=C(C(=N/c1ccccc1C#N)/c1ccccc1)\c1ccccc1 ZINC000103644190 559156614 /nfs/dbraw/zinc/15/66/14/559156614.db2.gz RWRNFOPJJAZZDJ-WWQQVGJXSA-N 0 0 410.480 6.372 50 30 HKEARN CCCCCCCCCCCCCCCCCCOCCOCCOCCO ZINC000103645994 559156643 /nfs/dbraw/zinc/15/66/43/559156643.db2.gz KPRFGGDCSHOVQB-UHFFFAOYSA-N 0 0 402.660 6.290 50 30 HKEARN CCCCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000103657962 559156766 /nfs/dbraw/zinc/15/67/66/559156766.db2.gz SHVKFBUBFSLWFV-UHFFFAOYSA-N 0 0 415.873 8.161 50 30 HKEARN CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1CC ZINC000103687518 560843926 /nfs/dbraw/zinc/84/39/26/560843926.db2.gz KIRGSLBBEMBQPU-PDIQUHFFSA-N 0 0 405.926 5.199 50 30 HKEARN COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c1OC ZINC000103710605 525771283 /nfs/dbraw/zinc/77/12/83/525771283.db2.gz SISPRYGWTWLVGT-BRNMAAFJSA-N 0 0 408.523 5.250 50 30 HKEARN CCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103728348 560844081 /nfs/dbraw/zinc/84/40/81/560844081.db2.gz YSQYTTOKXSSBLQ-PTGBLXJZSA-N 0 0 402.560 5.047 50 30 HKEARN N#CC1=C(c2ccccc2)C(=NNc2ccc(Cl)cc2)C(=O)n2c3ccccc3nc21 ZINC000103735275 569049509 /nfs/dbraw/zinc/04/95/09/569049509.db2.gz OTGJXKPPFCUYFH-ZIADKAODSA-N 0 0 423.863 6.801 50 30 HKEARN Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 ZINC000103746803 560844207 /nfs/dbraw/zinc/84/42/07/560844207.db2.gz XYUULYDQMQOPQB-FLFQWRMESA-N 0 0 419.527 5.046 50 30 HKEARN Cc1cccc(S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000103747753 559156942 /nfs/dbraw/zinc/15/69/42/559156942.db2.gz RDAMZMBTLYIGEO-LSDHQDQOSA-N 0 0 401.940 5.576 50 30 HKEARN COc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103748299 559156917 /nfs/dbraw/zinc/15/69/17/559156917.db2.gz AXEKOKHPZOHONF-LPYMAVHISA-N 0 0 407.382 5.363 50 30 HKEARN COc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103748331 559156913 /nfs/dbraw/zinc/15/69/13/559156913.db2.gz BAKDZJMEZAEKMM-LPYMAVHISA-N 0 0 407.382 5.363 50 30 HKEARN COc1ccccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000103748336 524328350 /nfs/dbraw/zinc/32/83/50/524328350.db2.gz ACKPSYFRUUSMET-LPYMAVHISA-N 0 0 423.381 5.063 50 30 HKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000103749402 559156901 /nfs/dbraw/zinc/15/69/01/559156901.db2.gz OFPSZUKMZUEZBY-MFKUBSTISA-N 0 0 409.401 6.414 50 30 HKEARN COC(=O)c1ccc(-c2ccc(/C=N/c3cccc(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000103749412 559156960 /nfs/dbraw/zinc/15/69/60/559156960.db2.gz DATGMOARNZEXTE-JVWAILMASA-N 0 0 422.440 6.292 50 30 HKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000103752433 559156907 /nfs/dbraw/zinc/15/69/07/559156907.db2.gz ZDUZXPUELSJKGL-YDZHTSKRSA-N 0 0 419.393 5.090 50 30 HKEARN Cc1ccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc54)ccc3Cl)nc2c1 ZINC000103753658 559156955 /nfs/dbraw/zinc/15/69/55/559156955.db2.gz DBQGHGAEKRRMSL-MZJWZYIUSA-N 0 0 412.876 7.066 50 30 HKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103760613 527547607 /nfs/dbraw/zinc/54/76/07/527547607.db2.gz FQPHACNNBRGFGH-MFKUBSTISA-N 0 0 416.868 6.160 50 30 HKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4cc(Cl)ccc4o3)cc1)OCO2 ZINC000103764246 527340848 /nfs/dbraw/zinc/34/08/48/527340848.db2.gz KHDATCLTSFACJP-AUEPDCJTSA-N 0 0 421.796 5.536 50 30 HKEARN CCOC(=O)c1ccc(NC(=CC(=O)c2ccc(Br)cc2)CC)cc1 ZINC000103764852 560844339 /nfs/dbraw/zinc/84/43/39/560844339.db2.gz KVLCYFLIRVDDAX-GHRIWEEISA-N 0 0 402.288 5.215 50 30 HKEARN CCOC(=O)c1c(/N=C/c2cc(Br)cc(C)c2O)sc2c1CCCC2 ZINC000103776291 521375655 /nfs/dbraw/zinc/37/56/55/521375655.db2.gz GVSFMKMSQKOGML-UFFVCSGVSA-N 0 0 422.344 5.331 50 30 HKEARN CCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000103793399 560844438 /nfs/dbraw/zinc/84/44/38/560844438.db2.gz UREFRCQOIVLSEI-CFRMEGHHSA-N 0 0 424.492 5.574 50 30 HKEARN CCCCCCCCN1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(CCCC)C1=O ZINC000103840710 560844554 /nfs/dbraw/zinc/84/45/54/560844554.db2.gz VHAYXOGGADEHQY-DYLDCLEOSA-N 0 0 410.558 5.578 50 30 HKEARN CC(=CC(=O)c1cc(Br)c(C)s1)c1cc(Br)c(C)s1 ZINC000103841538 560844592 /nfs/dbraw/zinc/84/45/92/560844592.db2.gz GKFHMMFFTZUJDT-QPJJXVBHSA-N 0 0 420.191 6.238 50 30 HKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2c[nH]c3c2cccc3CC)C1=O ZINC000103846680 560844569 /nfs/dbraw/zinc/84/45/69/560844569.db2.gz DKPKCKYBPGDWNZ-CPNJWEJPSA-N 0 0 418.518 5.274 50 30 HKEARN COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3Cl)cc2)cc1OC ZINC000103847587 560844574 /nfs/dbraw/zinc/84/45/74/560844574.db2.gz QKYWCDKVOLZIBL-YPKPFQOOSA-N 0 0 409.869 5.958 50 30 HKEARN COc1cccc(C(=O)C=CNc2ccc(Br)cc2Br)c1 ZINC000103848535 560844601 /nfs/dbraw/zinc/84/46/01/560844601.db2.gz XFFHTDIYESWLLM-FPLPWBNLSA-N 0 0 411.093 5.029 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000103861392 525433145 /nfs/dbraw/zinc/43/31/45/525433145.db2.gz YPFLGGBUKXSHGM-CVKSISIWSA-N 0 0 413.546 6.420 50 30 HKEARN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 ZINC000103862344 560844736 /nfs/dbraw/zinc/84/47/36/560844736.db2.gz VAKOUGHITSTNND-PLRJNAJWSA-N 0 0 418.577 7.531 50 30 HKEARN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000103886579 560844927 /nfs/dbraw/zinc/84/49/27/560844927.db2.gz IZOXGRNBIJBELF-WAYWQWQTSA-N 0 0 405.506 6.218 50 30 HKEARN C=CCN1c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc2Sc2ccccc2C1=O ZINC000103892053 560844812 /nfs/dbraw/zinc/84/48/12/560844812.db2.gz GXWQLRVXUJNMQV-FUHIMQAGSA-N 0 0 420.578 5.539 50 30 HKEARN CS/C(=N\C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1 ZINC000103926230 525286221 /nfs/dbraw/zinc/28/62/21/525286221.db2.gz VUCTUWWTWBLEEL-ZIADKAODSA-N 0 0 403.550 7.393 50 30 HKEARN C=CCc1cccc(/C=N\CCCCCCCCCCCCCCCCCC)c1O ZINC000103946164 560845134 /nfs/dbraw/zinc/84/51/34/560845134.db2.gz CCHAZUUOXACWRM-GNVQSUKOSA-N 0 0 413.690 8.801 50 30 HKEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])C(C(=O)c1ccccc1)=C1SCCCS1 ZINC000103988857 560846065 /nfs/dbraw/zinc/84/60/65/560846065.db2.gz PDQGXAVCVIMOPH-QXMHVHEDSA-N 0 0 411.504 5.142 50 30 HKEARN CN(C)c1ccc(/C=C\C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 ZINC000103988936 560846103 /nfs/dbraw/zinc/84/61/03/560846103.db2.gz JRZODULEQIWSLY-QINSGFPZSA-N 0 0 423.603 5.690 50 30 HKEARN O=C(/C=C/C=C\c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCCS1 ZINC000103989128 560846273 /nfs/dbraw/zinc/84/62/73/560846273.db2.gz ODXCQLWOQQSCFY-QBZWNVLOSA-N 0 0 406.572 6.180 50 30 HKEARN CCOC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)=C(C)O ZINC000104005000 560847589 /nfs/dbraw/zinc/84/75/89/560847589.db2.gz ZCMPNKMTFTUUSX-JWGURIENSA-N 0 0 416.502 5.732 50 30 HKEARN CCOc1cc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)ccc1O ZINC000104068336 560847895 /nfs/dbraw/zinc/84/78/95/560847895.db2.gz ODBLWNGUULTYOU-OAQYLSRUSA-N 0 0 415.489 5.569 50 30 HKEARN CCOc1cc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)ccc1O ZINC000104068340 560847860 /nfs/dbraw/zinc/84/78/60/560847860.db2.gz ODBLWNGUULTYOU-NRFANRHFSA-N 0 0 415.489 5.569 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104079158 560847966 /nfs/dbraw/zinc/84/79/66/560847966.db2.gz KHBPIIADKLVSJS-YDJIHCHBSA-N 0 0 424.283 5.620 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104079162 560847992 /nfs/dbraw/zinc/84/79/92/560847992.db2.gz KHBPIIADKLVSJS-NHFXJNLRSA-N 0 0 424.283 5.620 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000104103026 560848142 /nfs/dbraw/zinc/84/81/42/560848142.db2.gz FOXWYSAIYTXCQZ-MRJHHRETSA-N 0 0 421.855 5.414 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000104103030 560848109 /nfs/dbraw/zinc/84/81/09/560848109.db2.gz FOXWYSAIYTXCQZ-JBCNATCCSA-N 0 0 421.855 5.414 50 30 HKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000104109156 560848260 /nfs/dbraw/zinc/84/82/60/560848260.db2.gz WDGVQJZFZQWFGB-HOGKFDNTSA-N 0 0 417.892 5.004 50 30 HKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000104109159 560848266 /nfs/dbraw/zinc/84/82/66/560848266.db2.gz WDGVQJZFZQWFGB-MOBKVPTQSA-N 0 0 417.892 5.004 50 30 HKEARN Cc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 ZINC000104121725 560848448 /nfs/dbraw/zinc/84/84/48/560848448.db2.gz CPOWXNWXJNTZEP-RNDJKCMBSA-N 0 0 424.569 7.672 50 30 HKEARN Cc1ccc([C@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 ZINC000104121729 560848426 /nfs/dbraw/zinc/84/84/26/560848426.db2.gz CPOWXNWXJNTZEP-CNDSNSFTSA-N 0 0 424.569 7.672 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000104123201 560848440 /nfs/dbraw/zinc/84/84/40/560848440.db2.gz MKOJDDUNMDQJGY-JBCNATCCSA-N 0 0 403.865 5.275 50 30 HKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000104123206 560848340 /nfs/dbraw/zinc/84/83/40/560848340.db2.gz MKOJDDUNMDQJGY-MRJHHRETSA-N 0 0 403.865 5.275 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000104125491 560848325 /nfs/dbraw/zinc/84/83/25/560848325.db2.gz URTGYLVCXGSGCH-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000104125495 560848376 /nfs/dbraw/zinc/84/83/76/560848376.db2.gz URTGYLVCXGSGCH-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000104133151 560848362 /nfs/dbraw/zinc/84/83/62/560848362.db2.gz OKSBHHVVLWQQIC-HOGKFDNTSA-N 0 0 401.437 5.069 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000104133157 560848504 /nfs/dbraw/zinc/84/85/04/560848504.db2.gz OKSBHHVVLWQQIC-MOBKVPTQSA-N 0 0 401.437 5.069 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000104142758 560848819 /nfs/dbraw/zinc/84/88/19/560848819.db2.gz XUKLZDPISHEOIQ-YDJIHCHBSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000104142764 560848734 /nfs/dbraw/zinc/84/87/34/560848734.db2.gz XUKLZDPISHEOIQ-NHFXJNLRSA-N 0 0 407.828 5.105 50 30 HKEARN O=C(N[C@H](c1ccccc1)[C@@H](/N=C\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104154655 560848638 /nfs/dbraw/zinc/84/86/38/560848638.db2.gz RYDILFMFMIUVNX-DMHWPSFNSA-N 0 0 404.513 6.018 50 30 HKEARN O=C(N[C@H](c1ccccc1)[C@H](/N=C\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104154659 560848636 /nfs/dbraw/zinc/84/86/36/560848636.db2.gz RYDILFMFMIUVNX-PSHFTHFFSA-N 0 0 404.513 6.018 50 30 HKEARN COc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1OC ZINC000104155954 560848662 /nfs/dbraw/zinc/84/86/62/560848662.db2.gz ASVKVSCHJAVJQM-NRFANRHFSA-N 0 0 415.489 5.482 50 30 HKEARN COc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1OC ZINC000104155959 560848628 /nfs/dbraw/zinc/84/86/28/560848628.db2.gz ASVKVSCHJAVJQM-OAQYLSRUSA-N 0 0 415.489 5.482 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000104194563 560849676 /nfs/dbraw/zinc/84/96/76/560849676.db2.gz UYDPILZJQZLNCG-AYWGPLOBSA-N 0 0 412.489 5.140 50 30 HKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000104194566 560849656 /nfs/dbraw/zinc/84/96/56/560849656.db2.gz UYDPILZJQZLNCG-ZHHPLPSFSA-N 0 0 412.489 5.140 50 30 HKEARN CCCCCCCC[C@@H](C)Nc1ccc2c(c1)CCN2[C@@H](C)CCCCCCCC ZINC000104238805 569013186 /nfs/dbraw/zinc/01/31/86/569013186.db2.gz UHQNAXIWFPAWJU-RPBOFIJWSA-N 0 0 414.722 8.739 50 30 HKEARN CCCCCCCC[C@H](C)Nc1ccc2c(c1)CCN2[C@@H](C)CCCCCCCC ZINC000104238811 569013161 /nfs/dbraw/zinc/01/31/61/569013161.db2.gz UHQNAXIWFPAWJU-DQEYMECFSA-N 0 0 414.722 8.739 50 30 HKEARN CCCCCCCCCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000104271839 559159619 /nfs/dbraw/zinc/15/96/19/559159619.db2.gz QTPILGMQLFCKIH-MRXNPFEDSA-N 0 0 407.511 5.851 50 30 HKEARN CCCCCCCCCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000104271845 559159605 /nfs/dbraw/zinc/15/96/05/559159605.db2.gz QTPILGMQLFCKIH-INIZCTEOSA-N 0 0 407.511 5.851 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Cl)c1Cl ZINC000104330984 560850321 /nfs/dbraw/zinc/85/03/21/560850321.db2.gz CLKKKWQYPQGNMD-SFHVURJKSA-N 0 0 424.327 5.931 50 30 HKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Cl)c1Cl ZINC000104330988 560850439 /nfs/dbraw/zinc/85/04/39/560850439.db2.gz CLKKKWQYPQGNMD-GOSISDBHSA-N 0 0 424.327 5.931 50 30 HKEARN CCCCSc1ccc(/N=C2/c3ccccc3N(CN3CCC(C)CC3)C2=O)cc1 ZINC000104427988 560851319 /nfs/dbraw/zinc/85/13/19/560851319.db2.gz XJVLXISLUYUGFZ-LCUIJRPUSA-N 0 0 421.610 5.736 50 30 HKEARN C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O ZINC000104885278 571314286 /nfs/dbraw/zinc/31/42/86/571314286.db2.gz GMRQFYUYWCNGIN-FAUDWNASSA-N 0 0 416.646 5.705 50 30 HKEARN Cc1cc(C)c(C#C/C=C\c2cc3c(-c4ccccc4)cccc3c3ccccc23)c(C)c1 ZINC000104971798 560858697 /nfs/dbraw/zinc/85/86/97/560858697.db2.gz ZOEHGWNJFKXSAH-AUWJEWJLSA-N 0 0 422.571 8.650 50 30 HKEARN CNc1ccc(Br)cc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1=O ZINC000105073637 560861462 /nfs/dbraw/zinc/86/14/62/560861462.db2.gz IIHHSHKYACYDGZ-DJWKRKHSSA-N 0 0 413.098 5.054 50 30 HKEARN O=C(/C=C/c1ccco1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000105221561 559162477 /nfs/dbraw/zinc/16/24/77/559162477.db2.gz NLZQOHRDWSSSBQ-NWCLXBQCSA-N 0 0 401.893 6.656 50 30 HKEARN Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C ZINC000105262422 560869071 /nfs/dbraw/zinc/86/90/71/560869071.db2.gz QQBKZPLGKBYNRX-OZOVDZOFSA-N 0 0 404.558 5.074 50 30 HKEARN Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000105262429 560869092 /nfs/dbraw/zinc/86/90/92/560869092.db2.gz QQBKZPLGKBYNRX-DHNQWXAFSA-N 0 0 404.558 5.074 50 30 HKEARN CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 ZINC000105263331 560869133 /nfs/dbraw/zinc/86/91/33/560869133.db2.gz PTWZGVXKEQFRBH-VAQUOZORSA-N 0 0 415.581 5.789 50 30 HKEARN CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 ZINC000105263341 560869111 /nfs/dbraw/zinc/86/91/11/560869111.db2.gz PTWZGVXKEQFRBH-KYYPGUNRSA-N 0 0 415.581 5.789 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000105263841 560869097 /nfs/dbraw/zinc/86/90/97/560869097.db2.gz LYWNEJOPIMJYIT-JTLFAELUSA-N 0 0 414.589 6.937 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000105263855 525533359 /nfs/dbraw/zinc/53/33/59/525533359.db2.gz HEISBLGPHCGBTI-JHJLEOOKSA-N 0 0 406.953 6.467 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000105263941 560869117 /nfs/dbraw/zinc/86/91/17/560869117.db2.gz IATLNWYXDOFXTO-GSFYFPTOSA-N 0 0 404.554 5.339 50 30 HKEARN CCCCCCCCOc1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000105424948 560872374 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CCCCCCN=C1O[C@@H](c2ccc(OC)c(OC)c2)C(=O)C(c2ccccc2)C1=O ZINC000140516632 569001621 /nfs/dbraw/zinc/00/16/21/569001621.db2.gz NKWRVOULVJXICX-KLLVQBIDSA-N 0 0 423.509 5.292 50 30 HKEARN CCCCCCN=C1O[C@H](c2ccc(OC)c(OC)c2)C(=O)C(c2ccccc2)C1=O ZINC000140516801 569001466 /nfs/dbraw/zinc/00/14/66/569001466.db2.gz NKWRVOULVJXICX-ZBPGLEGESA-N 0 0 423.509 5.292 50 30 HKEARN COc1ccc(Cl)cc1/N=C/c1c(C)n(-c2ccccc2)c(C)c1Br ZINC000144585550 569363616 /nfs/dbraw/zinc/36/36/16/569363616.db2.gz RFBLOBCEKHHJEA-FSJBWODESA-N 0 0 417.734 6.269 50 30 HKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@H]1O ZINC000146562122 569031705 /nfs/dbraw/zinc/03/17/05/569031705.db2.gz GMRQFYUYWCNGIN-MKYMGODKSA-N 0 0 416.646 5.705 50 30 HKEARN CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1 ZINC000146840789 560555688 /nfs/dbraw/zinc/55/56/88/560555688.db2.gz BIOVSNWTCKRADD-UHFFFAOYSA-N 0 0 405.623 5.808 50 30 in-vitro HKEARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C ZINC000147165788 560556184 /nfs/dbraw/zinc/55/61/84/560556184.db2.gz ZHLQDHFHQIQYGH-BZSLZFAESA-N 0 0 424.629 5.486 50 30 HKEARN CCn1nc(C)c(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C ZINC000147165983 560556197 /nfs/dbraw/zinc/55/61/97/560556197.db2.gz ZHLQDHFHQIQYGH-YXOIODBWSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000147166294 560556160 /nfs/dbraw/zinc/55/61/60/560556160.db2.gz ZXGJYVCSCCHJLY-CXXQQJDHSA-N 0 0 410.602 5.177 50 30 HKEARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000147166448 560556137 /nfs/dbraw/zinc/55/61/37/560556137.db2.gz ZXGJYVCSCCHJLY-IMKCCPJOSA-N 0 0 410.602 5.177 50 30 HKEARN COc1cc(/C=C/C=C2\CC/C(=C/C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000148292304 560540581 /nfs/dbraw/zinc/54/05/81/560540581.db2.gz GYYPECSETJYYJN-RALDZFJGSA-N 0 0 404.462 5.057 50 30 HKEARN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C ZINC000169331433 569067566 /nfs/dbraw/zinc/06/75/66/569067566.db2.gz HYWJWQQIDDGRNG-NKZFSIKVSA-N 0 0 404.558 5.248 50 30 biogenic HKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000169618328 569104845 /nfs/dbraw/zinc/10/48/45/569104845.db2.gz NHRVXFXRRONMJZ-ISJGIBHGSA-N 0 0 419.459 5.110 50 30 HKEARN CC1=CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000169681365 569127350 /nfs/dbraw/zinc/12/73/50/569127350.db2.gz FNYMTBNFKFNMRY-RUZDIDTESA-N 0 0 424.548 5.690 50 30 HKEARN CC1=CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000169681366 569127372 /nfs/dbraw/zinc/12/73/72/569127372.db2.gz FNYMTBNFKFNMRY-VWLOTQADSA-N 0 0 424.548 5.690 50 30 HKEARN C[C@@H]1CC(C)(C)N(C)c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc21 ZINC000169681418 569127428 /nfs/dbraw/zinc/12/74/28/569127428.db2.gz QYUYTEDAGRFWEO-OAHLLOKOSA-N 0 0 404.554 5.110 50 30 HKEARN C[C@H]1CC(C)(C)N(C)c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc21 ZINC000169681419 569127548 /nfs/dbraw/zinc/12/75/48/569127548.db2.gz QYUYTEDAGRFWEO-HNNXBMFYSA-N 0 0 404.554 5.110 50 30 HKEARN CC1=CC(C)(C)N(C)c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc21 ZINC000169681420 520851278 /nfs/dbraw/zinc/85/12/78/520851278.db2.gz IQCSMAWJNKWEJD-UHFFFAOYSA-N 0 0 402.538 5.019 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000169683831 569135622 /nfs/dbraw/zinc/13/56/22/569135622.db2.gz VOPFGQSZFQTNNB-KMJBSNCISA-N 0 0 409.489 6.480 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 ZINC000169683833 569135568 /nfs/dbraw/zinc/13/55/68/569135568.db2.gz DITRHTVVQVXPDB-KMJBSNCISA-N 0 0 409.489 6.480 50 30 HKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 ZINC000169683846 569135601 /nfs/dbraw/zinc/13/56/01/569135601.db2.gz UAYSIFNVDLISKS-MNDURDFUSA-N 0 0 407.561 6.638 50 30 HKEARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Cl)c2C#C[Si](C)(C)C ZINC000169794198 569039180 /nfs/dbraw/zinc/03/91/80/569039180.db2.gz UEWZHESADZMKDB-UHFFFAOYSA-N 0 0 405.134 6.942 50 30 HKEARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cl)c(C#C[Si](C)(C)C)nc21 ZINC000169794266 569039153 /nfs/dbraw/zinc/03/91/53/569039153.db2.gz UBCBTOYSRXSPKC-UHFFFAOYSA-N 0 0 405.134 6.942 50 30 HKEARN CCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816500 569013244 /nfs/dbraw/zinc/01/32/44/569013244.db2.gz QWERZFXILNIEPJ-UHFFFAOYSA-N 0 0 400.682 6.298 50 30 HKEARN Cc1ccc2c(c1)nc(C)c(C(=O)/C=C/c1ccc3nccnc3c1)c2-c1ccccc1 ZINC000170618930 526218613 /nfs/dbraw/zinc/21/86/13/526218613.db2.gz XTDUKAGLYYUVLA-JLHYYAGUSA-N 0 0 415.496 6.358 50 30 HKEARN Cc1nc(C#N)c(NCc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)o1 ZINC000170623658 569249930 /nfs/dbraw/zinc/24/99/30/569249930.db2.gz IXMUHTMQCOHYTL-UHFFFAOYSA-N 0 0 413.525 5.120 50 30 HKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000170623759 569249857 /nfs/dbraw/zinc/24/98/57/569249857.db2.gz CPXVCDJEHJWBKN-UHFFFAOYSA-N 0 0 407.832 5.806 50 30 HKEARN Cc1ccc(CN(Cc2ccco2)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000170623771 569249934 /nfs/dbraw/zinc/24/99/34/569249934.db2.gz ZMEXIGAUFNIGBZ-UHFFFAOYSA-N 0 0 403.869 5.975 50 30 HKEARN COc1ccc(CN(Cc2ccco2)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000170623772 569249868 /nfs/dbraw/zinc/24/98/68/569249868.db2.gz DVSFQGBMEYIREP-UHFFFAOYSA-N 0 0 419.868 5.675 50 30 HKEARN N#Cc1nc(-c2cccc3ccccc32)oc1N(Cc1ccco1)Cc1cccs1 ZINC000170623781 569249928 /nfs/dbraw/zinc/24/99/28/569249928.db2.gz HKUYTUHECAXELU-UHFFFAOYSA-N 0 0 411.486 6.228 50 30 HKEARN Cc1ccc(CN(Cc2ccco2)c2oc(-c3cccc4ccccc43)nc2C#N)o1 ZINC000170623782 569249923 /nfs/dbraw/zinc/24/99/23/569249923.db2.gz RZWFGVFAZBFEOG-UHFFFAOYSA-N 0 0 409.445 6.068 50 30 HKEARN N#Cc1nc(-c2cccc3ccccc32)oc1N(Cc1ccco1)Cc1ccccc1F ZINC000170623785 569249878 /nfs/dbraw/zinc/24/98/78/569249878.db2.gz YWVNRQOCEOFVER-UHFFFAOYSA-N 0 0 423.447 6.305 50 30 HKEARN N#Cc1nc(-c2cccc3ccccc32)oc1SCc1ccc(Cl)cc1Cl ZINC000170623860 569249931 /nfs/dbraw/zinc/24/99/31/569249931.db2.gz MZNAUIVKARYFLW-UHFFFAOYSA-N 0 0 411.313 6.966 50 30 HKEARN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)c1 ZINC000170682583 569298379 /nfs/dbraw/zinc/29/83/79/569298379.db2.gz HCOBFIAJUBIFLA-OAQYLSRUSA-N 0 0 416.502 5.116 50 30 HKEARN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Sc3ccccc3C)cc2)c1 ZINC000170682586 569298402 /nfs/dbraw/zinc/29/84/02/569298402.db2.gz HCOBFIAJUBIFLA-NRFANRHFSA-N 0 0 416.502 5.116 50 30 HKEARN CCCCCCCCCCCCCCCCCCCCCCOCCOCCO ZINC000197407994 569055045 /nfs/dbraw/zinc/05/50/45/569055045.db2.gz HSTIFWMWLCYDFT-UHFFFAOYSA-N 0 0 414.715 7.834 50 30 HKEARN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 ZINC000197930658 569318623 /nfs/dbraw/zinc/31/86/23/569318623.db2.gz FSDYRGXVQNQUNN-YSMPRRRNSA-N 0 0 413.546 6.452 50 30 HKEARN CCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1 ZINC000201260773 558811298 /nfs/dbraw/zinc/81/12/98/558811298.db2.gz ZTUBOAYBUBUTPH-UHFFFAOYSA-N 0 0 414.320 6.740 50 30 HKEARN COc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O ZINC000207527264 569389968 /nfs/dbraw/zinc/38/99/68/569389968.db2.gz HNLHXGGHKKUNFZ-BJPQZVBLSA-N 0 0 422.521 5.607 50 30 HKEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000208773053 569293021 /nfs/dbraw/zinc/29/30/21/569293021.db2.gz ZXXOHWFDXGEQBJ-CPNJWEJPSA-N 0 0 424.283 5.917 50 30 HKEARN C[C@@H]1CS/C(=C(\C(=O)/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2)S1 ZINC000211047141 568756752 /nfs/dbraw/zinc/75/67/52/568756752.db2.gz RKHIVJYDHLWLQT-PNJUSXPZSA-N 0 0 411.504 5.140 50 30 HKEARN C[C@@H]1CS/C(=C(/C(=O)/C=C\c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2)S1 ZINC000211047174 568756722 /nfs/dbraw/zinc/75/67/22/568756722.db2.gz RKHIVJYDHLWLQT-FAYIHMLCSA-N 0 0 411.504 5.140 50 30 HKEARN C[C@@H]1CS/C(=C(\C(=O)/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2)S1 ZINC000211047200 568756802 /nfs/dbraw/zinc/75/68/02/568756802.db2.gz RKHIVJYDHLWLQT-RYBTXHNUSA-N 0 0 411.504 5.140 50 30 HKEARN O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000211060953 568762977 /nfs/dbraw/zinc/76/29/77/568762977.db2.gz PXUWVGGCENWIAY-NVTWWLNUSA-N 0 0 418.990 5.983 50 30 HKEARN N#C[C@@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@H]21 ZINC000211382767 568454775 /nfs/dbraw/zinc/45/47/75/568454775.db2.gz BCCSYYNPYNJQAW-URXFXBBRSA-N 0 0 401.897 5.196 50 30 HKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc4ncccc43)n2)cc1 ZINC000215673537 568788315 /nfs/dbraw/zinc/78/83/15/568788315.db2.gz YBWABWQMXDILSZ-UHFFFAOYSA-N 0 0 410.502 5.208 50 30 HKEARN Cc1cc(C#N)c(SCC(=O)Nc2cccc3ncccc32)nc1-c1ccccc1 ZINC000215678313 568788553 /nfs/dbraw/zinc/78/85/53/568788553.db2.gz KNWKQLRDHWRPSM-UHFFFAOYSA-N 0 0 410.502 5.208 50 30 HKEARN C[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1ccccc1F ZINC000215717822 568793430 /nfs/dbraw/zinc/79/34/30/568793430.db2.gz VSPKXYJQVCWFGQ-XHCMJAMOSA-N 0 0 413.905 5.744 50 30 HKEARN C[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1ccccc1F ZINC000215717864 568793427 /nfs/dbraw/zinc/79/34/27/568793427.db2.gz VSPKXYJQVCWFGQ-AZRQGOPLSA-N 0 0 413.905 5.744 50 30 HKEARN CC(C)c1ccc(NC(=O)CSc2ccccc2/N=C/c2cccnc2Cl)cc1 ZINC000215718297 568793501 /nfs/dbraw/zinc/79/35/01/568793501.db2.gz RYOVTFWPHQQTGY-VULFUBBASA-N 0 0 423.969 6.340 50 30 HKEARN CC(=O)c1cccc(NC(=O)CSc2ccc(N=Cc3cccnc3Cl)cc2)c1 ZINC000215718544 568793469 /nfs/dbraw/zinc/79/34/69/568793469.db2.gz PVNWSVAEOOQRHV-DHRITJCHSA-N 0 0 423.925 5.419 50 30 HKEARN CC(=O)c1cccc(NC(=O)CSc2ccccc2N=Cc2cccnc2Cl)c1 ZINC000215720113 568793447 /nfs/dbraw/zinc/79/34/47/568793447.db2.gz NLFWNFALXMMQLD-DHRITJCHSA-N 0 0 423.925 5.419 50 30 HKEARN CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1cc(C)on1 ZINC000215720708 569050813 /nfs/dbraw/zinc/05/08/13/569050813.db2.gz HPVOQJOSLXLTCP-PDYUXYPTSA-N 0 0 414.918 5.291 50 30 HKEARN CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1cc(C)on1 ZINC000215720753 568793453 /nfs/dbraw/zinc/79/34/53/568793453.db2.gz HPVOQJOSLXLTCP-PLVXZXGYSA-N 0 0 414.918 5.291 50 30 HKEARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)cc1C ZINC000215721566 568793443 /nfs/dbraw/zinc/79/34/43/568793443.db2.gz KPEANTPASGYNEL-OXVLKEGXSA-N 0 0 423.969 6.222 50 30 HKEARN Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)cc1C ZINC000215721617 568794994 /nfs/dbraw/zinc/79/49/94/568794994.db2.gz KPEANTPASGYNEL-HSOLMKNUSA-N 0 0 423.969 6.222 50 30 HKEARN CC(=O)c1ccc(NC(=O)CSc2cccc(N=Cc3cccnc3Cl)c2)cc1 ZINC000215722616 568794903 /nfs/dbraw/zinc/79/49/03/568794903.db2.gz ZIAZOUNZYOBAII-DHRITJCHSA-N 0 0 423.925 5.419 50 30 HKEARN Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 ZINC000215723004 569050778 /nfs/dbraw/zinc/05/07/78/569050778.db2.gz NKQNLGBYMQUMCC-OXVLKEGXSA-N 0 0 423.969 6.222 50 30 HKEARN Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 ZINC000215723049 568794999 /nfs/dbraw/zinc/79/49/99/568794999.db2.gz NKQNLGBYMQUMCC-HSOLMKNUSA-N 0 0 423.969 6.222 50 30 HKEARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 ZINC000215723894 568794972 /nfs/dbraw/zinc/79/49/72/568794972.db2.gz NNGNNDIAJDKNDK-OXVLKEGXSA-N 0 0 423.969 6.222 50 30 HKEARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 ZINC000215723938 568795005 /nfs/dbraw/zinc/79/50/05/568795005.db2.gz NNGNNDIAJDKNDK-HSOLMKNUSA-N 0 0 423.969 6.222 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](CCC#N)[C@](C)(CCC#N)[C@H]3CC[C@@]21C ZINC000216029297 519645740 /nfs/dbraw/zinc/64/57/40/519645740.db2.gz HEWXCDIWMWJHEW-HZROKWHXSA-N 0 0 424.717 8.531 50 30 HKEARN CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 ZINC000217228062 568862413 /nfs/dbraw/zinc/86/24/13/568862413.db2.gz CONOXECQMYAHHA-INIZCTEOSA-N 0 0 421.522 5.394 50 30 HKEARN CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 ZINC000217228065 568862427 /nfs/dbraw/zinc/86/24/27/568862427.db2.gz CONOXECQMYAHHA-MRXNPFEDSA-N 0 0 421.522 5.394 50 30 HKEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c2ccccc12 ZINC000217757710 568910341 /nfs/dbraw/zinc/91/03/41/568910341.db2.gz SGYXSBDMZUIOBF-SFHVURJKSA-N 0 0 400.430 5.158 50 30 biogenic HKEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c2ccccc12 ZINC000217757795 568910330 /nfs/dbraw/zinc/91/03/30/568910330.db2.gz SGYXSBDMZUIOBF-GOSISDBHSA-N 0 0 400.430 5.158 50 30 biogenic HKEARN C=C(C)COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1OC ZINC000218258647 569039165 /nfs/dbraw/zinc/03/91/65/569039165.db2.gz JHHCMANOTOMBER-UHFFFAOYSA-N 0 0 401.422 5.193 50 30 HKEARN COc1ccccc1C=CC(=O)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000222335258 524323923 /nfs/dbraw/zinc/32/39/23/524323923.db2.gz ZGQVPZQYGUGPEQ-QINSGFPZSA-N 0 0 415.876 6.166 50 30 HKEARN Cn1c(=O)c(C(=O)/C=C\c2cccs2)c(-c2ccc(Cl)cc2)c2ccccc21 ZINC000222335475 527022515 /nfs/dbraw/zinc/02/25/15/527022515.db2.gz YGXZIWGHBVCTQS-SEYXRHQNSA-N 0 0 405.906 5.817 50 30 HKEARN CC/N=C1\S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1CC ZINC000225385498 568633281 /nfs/dbraw/zinc/63/32/81/568633281.db2.gz IRXDXYIHYPLMAG-WMOWQXFYSA-N 0 0 419.550 5.032 50 30 HKEARN CCOc1ccc(/N=C2\S/C(=C\c3c[nH]c4c3cccc4CC)C(=O)N2C)cc1 ZINC000225386988 520861127 /nfs/dbraw/zinc/86/11/27/520861127.db2.gz MPQZQXNEVGGCFE-VDJWSQCXSA-N 0 0 405.523 5.363 50 30 HKEARN N#CC[C@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000225419352 568636219 /nfs/dbraw/zinc/63/62/19/568636219.db2.gz NIXBKHDQSYOJKJ-ILBGXUMGSA-N 0 0 409.489 5.034 50 30 HKEARN N#CC[C@@H](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000225419390 568636273 /nfs/dbraw/zinc/63/62/73/568636273.db2.gz NIXBKHDQSYOJKJ-UKILVPOCSA-N 0 0 409.489 5.034 50 30 HKEARN N#CC[C@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000225419426 568636324 /nfs/dbraw/zinc/63/63/24/568636324.db2.gz NIXBKHDQSYOJKJ-NOZRDPDXSA-N 0 0 409.489 5.034 50 30 HKEARN N#CC[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000225419466 568636193 /nfs/dbraw/zinc/63/61/93/568636193.db2.gz NIXBKHDQSYOJKJ-ZCYQVOJMSA-N 0 0 409.489 5.034 50 30 HKEARN C=C(C)C[NH+](Cc1c[nH]nc1-c1ccccc1F)Cc1c[nH]nc1-c1ccccc1F ZINC000225503630 559271970 /nfs/dbraw/zinc/27/19/70/559271970.db2.gz GEJDMEQARXGYLM-UHFFFAOYSA-N 0 0 419.479 5.323 50 30 HKEARN Cc1ccc(-n2c(SCCCC3(C#N)CCOCC3)nnc2-c2ccccc2)cc1 ZINC000225569834 525900869 /nfs/dbraw/zinc/90/08/69/525900869.db2.gz LOWUWGDISAKPBB-UHFFFAOYSA-N 0 0 418.566 5.435 50 30 HKEARN CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C ZINC000226375317 568695013 /nfs/dbraw/zinc/69/50/13/568695013.db2.gz MLKUQGRBKYSZFA-OPFJKLEUSA-N 0 0 418.585 5.557 50 30 HKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000226403410 568695380 /nfs/dbraw/zinc/69/53/80/568695380.db2.gz JKKLUSGJEQWZSQ-JFSFRJDTSA-N 0 0 402.534 5.823 50 30 HKEARN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000226438209 521672034 /nfs/dbraw/zinc/67/20/34/521672034.db2.gz NTWGOOVKOLVKLF-KCBIPTSASA-N 0 0 404.558 5.330 50 30 HKEARN CCCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]2(C)C1=O ZINC000226438244 521672542 /nfs/dbraw/zinc/67/25/42/521672542.db2.gz JCOSBAWMYWWBFV-VWPCWSKDSA-N 0 0 404.554 5.420 50 30 HKEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000226518450 568696313 /nfs/dbraw/zinc/69/63/13/568696313.db2.gz QNDWKEZNHNXNOO-VAMGGRTRSA-N 0 0 422.573 5.233 50 30 HKEARN CCn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c(C)n1 ZINC000226626790 568696691 /nfs/dbraw/zinc/69/66/91/568696691.db2.gz GSVVJZATHITTBT-DENOJAJQSA-N 0 0 404.558 5.248 50 30 HKEARN CCCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)cc1 ZINC000226756940 559273796 /nfs/dbraw/zinc/27/37/96/559273796.db2.gz DTXKJWFHZLZTOG-LCUIJRPUSA-N 0 0 405.542 5.166 50 30 HKEARN COc1ccc(/C=C2\CCc3c2c(C#N)c(N)c(C#N)c3-c2ccc(OC)cc2)cc1 ZINC000226758135 568823342 /nfs/dbraw/zinc/82/33/42/568823342.db2.gz WQOGXFLNVONJFD-QGOAFFKASA-N 0 0 407.473 5.183 50 30 HKEARN Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@@H](c2ccc(F)cc2)C1(C#N)C#N ZINC000226841670 568697982 /nfs/dbraw/zinc/69/79/82/568697982.db2.gz OQDJRLNLVPDQLH-YTFSRNRJSA-N 0 0 413.496 5.151 50 30 HKEARN CC(C)c1ccc(NC(=O)CSc2cccc(/N=C\c3cccnc3Cl)c2)cc1 ZINC000227005078 568826923 /nfs/dbraw/zinc/82/69/23/568826923.db2.gz XZSUEWWYGXLAHJ-WGARJPEWSA-N 0 0 423.969 6.340 50 30 HKEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)NN=C2CCC(F)(F)CC2)c(C(C)C)c1 ZINC000228984539 568712730 /nfs/dbraw/zinc/71/27/30/568712730.db2.gz GUINLWDANLLJFI-UHFFFAOYSA-N 0 0 414.562 5.900 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@@]1(O)O[C@@H]2c1ccc(F)cc1 ZINC000229740343 568955750 /nfs/dbraw/zinc/95/57/50/568955750.db2.gz XZPGAROSGKQXQY-SCRXBLKDSA-N 0 0 424.487 5.738 50 30 biogenic HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000229875662 568715752 /nfs/dbraw/zinc/71/57/52/568715752.db2.gz PROGDNSPTJYDEC-ZAYNBGMWSA-N 0 0 424.487 6.112 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000230074735 568831403 /nfs/dbraw/zinc/83/14/03/568831403.db2.gz XQQADLVGNFCRTE-CHCSJXHYSA-N 0 0 424.947 6.516 50 30 HKEARN CCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000230137906 568851071 /nfs/dbraw/zinc/85/10/71/568851071.db2.gz FBMXLHMQUBYVTL-RLGSIZSXSA-N 0 0 418.581 5.718 50 30 HKEARN CCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000230137913 568850967 /nfs/dbraw/zinc/85/09/67/568850967.db2.gz FBMXLHMQUBYVTL-FKSQHIQSSA-N 0 0 418.581 5.718 50 30 HKEARN C(=N\C(/N=C\c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 ZINC000230202574 568854780 /nfs/dbraw/zinc/85/47/80/568854780.db2.gz BZFYOPUGACRKBU-VYRNSOSESA-N 0 0 415.500 6.367 50 30 HKEARN C(=N/C(/N=C\c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 ZINC000230202579 568854814 /nfs/dbraw/zinc/85/48/14/568854814.db2.gz BZFYOPUGACRKBU-YHIIUTLSSA-N 0 0 415.500 6.367 50 30 HKEARN C=CCN(CC=C)C(=O)c1ccc(Oc2ccc(C(=O)N(CC=C)CC=C)cc2)cc1 ZINC000230510569 568933230 /nfs/dbraw/zinc/93/32/30/568933230.db2.gz ZERRCFZJRNGSJG-UHFFFAOYSA-N 0 0 416.521 5.107 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000242498481 525349632 /nfs/dbraw/zinc/34/96/32/525349632.db2.gz HHSXYDOROIURIP-BZHGYKMTSA-N 0 0 420.593 6.063 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000242498482 569369876 /nfs/dbraw/zinc/36/98/76/569369876.db2.gz HHSXYDOROIURIP-GNIWQWAMSA-N 0 0 420.593 6.063 50 30 HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000242718338 569369970 /nfs/dbraw/zinc/36/99/70/569369970.db2.gz XKCSBVSQDYCBQX-KWLDEBNHSA-N 0 0 402.732 8.614 50 30 HKEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000244574991 569370127 /nfs/dbraw/zinc/37/01/27/569370127.db2.gz CUTFZEZNOZKJJF-UHFFFAOYSA-N 0 0 400.507 5.003 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccc2Br)cc1 ZINC000244659406 560766779 /nfs/dbraw/zinc/76/67/79/560766779.db2.gz HCCJFFGINWYZER-UHFFFAOYSA-N 0 0 415.360 5.176 50 30 HKEARN COc1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1OCc1ccccc1 ZINC000244716095 523885218 /nfs/dbraw/zinc/88/52/18/523885218.db2.gz LIIPJIDGBHWUKM-UHFFFAOYSA-N 0 0 422.554 5.084 50 30 HKEARN Clc1ccc(N2CCN(N=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000244723563 569370187 /nfs/dbraw/zinc/37/01/87/569370187.db2.gz MDTDPCVBPXGMQV-UHFFFAOYSA-N 0 0 405.929 5.075 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000244734297 526389799 /nfs/dbraw/zinc/38/97/99/526389799.db2.gz NCWHXUDDPSZKKP-UHFFFAOYSA-N 0 0 406.898 5.562 50 30 HKEARN Clc1ccccc1CN1CCN(N=Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000244787530 569370196 /nfs/dbraw/zinc/37/01/96/569370196.db2.gz PYRLZHYFPZPDCN-UHFFFAOYSA-N 0 0 405.929 5.284 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000244817082 569370149 /nfs/dbraw/zinc/37/01/49/569370149.db2.gz SUBSPGYBIRDWDZ-UHFFFAOYSA-N 0 0 402.523 5.272 50 30 HKEARN FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000244875021 569370202 /nfs/dbraw/zinc/37/02/02/569370202.db2.gz XLHGNPDDFNOSAP-UHFFFAOYSA-N 0 0 417.243 5.442 50 30 HKEARN Clc1ccc(N2CCN(N=Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000244899340 569370109 /nfs/dbraw/zinc/37/01/09/569370109.db2.gz ZIAVFDRZQDMGLS-UHFFFAOYSA-N 0 0 405.929 5.075 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@H]4C)nnc3c2c1 ZINC000245226894 526111002 /nfs/dbraw/zinc/11/10/02/526111002.db2.gz QYIMABHCVGWZOK-CCVPFZATSA-N 0 0 402.546 5.621 50 30 biogenic HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@@H]5C(=CCCC5(C)C)C[C@H]4C)nnc3c2c1 ZINC000245226895 526109920 /nfs/dbraw/zinc/10/99/20/526109920.db2.gz QYIMABHCVGWZOK-NNMJKUESSA-N 0 0 402.546 5.621 50 30 biogenic HKEARN COc1ccc(/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)cc1 ZINC000245231871 571219028 /nfs/dbraw/zinc/21/90/28/571219028.db2.gz LFBOEUGQWILAMO-MGPKCWJKSA-N 0 0 406.566 5.581 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000245237971 571219585 /nfs/dbraw/zinc/21/95/85/571219585.db2.gz AMLPMOKTYSXKFI-ODCANVRXSA-N 0 0 408.561 5.924 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000245237972 571219487 /nfs/dbraw/zinc/21/94/87/571219487.db2.gz AMLPMOKTYSXKFI-VXSWQWKTSA-N 0 0 408.561 5.924 50 30 HKEARN 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 ZINC000245238051 571219455 /nfs/dbraw/zinc/21/94/55/571219455.db2.gz DRNZIQCLIKZYPJ-HNBBKCOLSA-N 0 0 422.613 5.406 50 30 HKEARN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)c1C ZINC000245238265 569370218 /nfs/dbraw/zinc/37/02/18/569370218.db2.gz HYWJWQQIDDGRNG-IPVFGQFKSA-N 0 0 404.558 5.248 50 30 biogenic HKEARN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)c1C ZINC000245238266 569370369 /nfs/dbraw/zinc/37/03/69/569370369.db2.gz HYWJWQQIDDGRNG-ITULOSINSA-N 0 0 404.558 5.248 50 30 biogenic HKEARN 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 ZINC000245238275 571219472 /nfs/dbraw/zinc/21/94/72/571219472.db2.gz IKSAIBRTZFZGMG-SWYZRDPRSA-N 0 0 408.586 5.098 50 30 HKEARN Cc1ccc(CN2CCN(N=Cc3ccc(OCc4ccccc4)cc3)CC2)c(C)c1 ZINC000245238523 571219566 /nfs/dbraw/zinc/21/95/66/571219566.db2.gz SIEITZPEILOUPK-UHFFFAOYSA-N 0 0 413.565 5.034 50 30 HKEARN CC(C)(C)c1cc(C=NN2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000245238594 569370385 /nfs/dbraw/zinc/37/03/85/569370385.db2.gz VIOOPISOHRCVKI-UHFFFAOYSA-N 0 0 407.602 5.139 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000245238645 569370383 /nfs/dbraw/zinc/37/03/83/569370383.db2.gz XNIHMWPAFYIFGK-ATANXXGXSA-N 0 0 410.985 6.226 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000245238646 525349846 /nfs/dbraw/zinc/34/98/46/525349846.db2.gz XNIHMWPAFYIFGK-HIHCUNAASA-N 0 0 410.985 6.226 50 30 biogenic HKEARN CCn1ncc(/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 ZINC000245238667 571219451 /nfs/dbraw/zinc/21/94/51/571219451.db2.gz YBVXROOOLSXZHU-SWYZRDPRSA-N 0 0 408.586 5.098 50 30 HKEARN CCn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)c(C)n1 ZINC000245239236 569370375 /nfs/dbraw/zinc/37/03/75/569370375.db2.gz GSVVJZATHITTBT-CIEQLXKASA-N 0 0 404.558 5.248 50 30 HKEARN CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)c1C ZINC000245239821 569370368 /nfs/dbraw/zinc/37/03/68/569370368.db2.gz MLKUQGRBKYSZFA-CXJIRVTOSA-N 0 0 418.585 5.557 50 30 HKEARN CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)c1C ZINC000245239824 569370370 /nfs/dbraw/zinc/37/03/70/569370370.db2.gz MLKUQGRBKYSZFA-PUWGRMHFSA-N 0 0 418.585 5.557 50 30 HKEARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000245240550 569370347 /nfs/dbraw/zinc/37/03/47/569370347.db2.gz QAZWWNKLOZAMBB-CGSKUXKFSA-N 0 0 410.602 5.003 50 30 HKEARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000245240551 569370353 /nfs/dbraw/zinc/37/03/53/569370353.db2.gz QAZWWNKLOZAMBB-CXDOVXBJSA-N 0 0 410.602 5.003 50 30 HKEARN CCn1nc(C)c(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C ZINC000245241230 569370464 /nfs/dbraw/zinc/37/04/64/569370464.db2.gz ZHLQDHFHQIQYGH-AOILHQGDSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1nc(C)c(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C ZINC000245241231 569370492 /nfs/dbraw/zinc/37/04/92/569370492.db2.gz ZHLQDHFHQIQYGH-KNSJLTMPSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000245241294 569370471 /nfs/dbraw/zinc/37/04/71/569370471.db2.gz ZXGJYVCSCCHJLY-HLCUSZQOSA-N 0 0 410.602 5.177 50 30 HKEARN CCn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000245241295 569370476 /nfs/dbraw/zinc/37/04/76/569370476.db2.gz ZXGJYVCSCCHJLY-IITGAEIISA-N 0 0 410.602 5.177 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000245241391 525349466 /nfs/dbraw/zinc/34/94/66/525349466.db2.gz CNJPGFFQFAETRQ-PXQWAQRQSA-N 0 0 410.985 6.226 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000245241392 571219754 /nfs/dbraw/zinc/21/97/54/571219754.db2.gz CNJPGFFQFAETRQ-SBEBFCLWSA-N 0 0 410.985 6.226 50 30 HKEARN C=CCn1c(-c2c(C)oc3ccccc32)csc1=NS(=O)(=O)c1ccc(C)cc1 ZINC000245241712 571220466 /nfs/dbraw/zinc/22/04/66/571220466.db2.gz NNLIRRQBGVBXBY-UHFFFAOYSA-N 0 0 424.547 5.055 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000245241745 571220534 /nfs/dbraw/zinc/22/05/34/571220534.db2.gz OCCYLBDLKHPVGI-GMVHITBYSA-N 0 0 413.001 6.306 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000245241748 525348609 /nfs/dbraw/zinc/34/86/09/525348609.db2.gz OCCYLBDLKHPVGI-UKUIUATGSA-N 0 0 413.001 6.306 50 30 biogenic HKEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2 ZINC000245241975 569370478 /nfs/dbraw/zinc/37/04/78/569370478.db2.gz VLNUFZKTWCXVTO-FWTKZUDYSA-N 0 0 417.505 5.090 50 30 biogenic HKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2 ZINC000245241976 569370466 /nfs/dbraw/zinc/37/04/66/569370466.db2.gz VLNUFZKTWCXVTO-LKPXGQAVSA-N 0 0 417.505 5.090 50 30 biogenic HKEARN CC(=Nc1cc(-c2ccccc2)[nH]n1)C(C)(C)C(C)=Nc1cc(-c2ccccc2)[nH]n1 ZINC000245245127 569370493 /nfs/dbraw/zinc/37/04/93/569370493.db2.gz ABCMHMSDLKATAM-BFJUWEKCSA-N 0 0 410.525 6.378 50 30 HKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 ZINC000245253611 569370497 /nfs/dbraw/zinc/37/04/97/569370497.db2.gz JKKLUSGJEQWZSQ-IGXPLGDOSA-N 0 0 402.534 5.823 50 30 HKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000245253612 523418792 /nfs/dbraw/zinc/41/87/92/523418792.db2.gz JKKLUSGJEQWZSQ-LLENLHHBSA-N 0 0 402.534 5.823 50 30 HKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000245253613 569370452 /nfs/dbraw/zinc/37/04/52/569370452.db2.gz JKKLUSGJEQWZSQ-WXAWJTAASA-N 0 0 402.534 5.823 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000245253782 569370485 /nfs/dbraw/zinc/37/04/85/569370485.db2.gz PROGDNSPTJYDEC-BKPVSETPSA-N 0 0 424.487 6.112 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000245253783 525350811 /nfs/dbraw/zinc/35/08/11/525350811.db2.gz PROGDNSPTJYDEC-GUUZFPRHSA-N 0 0 424.487 6.112 50 30 HKEARN CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 ZINC000245253784 569370456 /nfs/dbraw/zinc/37/04/56/569370456.db2.gz PTWZGVXKEQFRBH-RCKANDEFSA-N 0 0 415.581 5.789 50 30 HKEARN Cc1ccc(N=C2C=C(Nc3ccc(C)cc3)C(=O)C=C2Nc2ccc(C)cc2)cc1 ZINC000245263530 571221633 /nfs/dbraw/zinc/22/16/33/571221633.db2.gz ANNRSDHGEAAMAB-UHFFFAOYSA-N 0 0 407.517 6.259 50 30 HKEARN COc1ccc(/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)cc1 ZINC000245267020 569370503 /nfs/dbraw/zinc/37/05/03/569370503.db2.gz LFBOEUGQWILAMO-BJBWFSKLSA-N 0 0 406.566 5.581 50 30 HKEARN COc1ccc(/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)cc1 ZINC000245267022 569370489 /nfs/dbraw/zinc/37/04/89/569370489.db2.gz LFBOEUGQWILAMO-GFFFFLHYSA-N 0 0 406.566 5.581 50 30 HKEARN CC(=O)Nc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000245283800 569370502 /nfs/dbraw/zinc/37/05/02/569370502.db2.gz OXSDDPZXDPLBKP-BPUCEFOASA-N 0 0 402.494 5.069 50 30 HKEARN CC(=O)Nc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000245283802 569370577 /nfs/dbraw/zinc/37/05/77/569370577.db2.gz OXSDDPZXDPLBKP-SDDRYLNPSA-N 0 0 402.494 5.069 50 30 HKEARN C(N=Nc1nc2ccccc2s1)=C1CCCCC1Sc1nc2ccccc2o1 ZINC000245284956 571222892 /nfs/dbraw/zinc/22/28/92/571222892.db2.gz VGYHJKWJDNFFQE-UHFFFAOYSA-N 0 0 406.536 6.456 50 30 HKEARN CC[C@@H]1C/C(=C\c2ccc(OC)cc2OC)C(=O)/C(=C\c2ccc(OC)cc2OC)C1 ZINC000245295519 571223217 /nfs/dbraw/zinc/22/32/17/571223217.db2.gz GMQFDEIQGDXHKZ-BFPUBRAUSA-N 0 0 422.521 5.577 50 30 HKEARN CC[C@H]1C/C(=C\c2ccc(OC)cc2OC)C(=O)/C(=C\c2ccc(OC)cc2OC)C1 ZINC000245295521 571223252 /nfs/dbraw/zinc/22/32/52/571223252.db2.gz GMQFDEIQGDXHKZ-MDXQDHBRSA-N 0 0 422.521 5.577 50 30 HKEARN COc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(OC)cc3OC)C2=O)c(OC)c1 ZINC000245296633 523418699 /nfs/dbraw/zinc/41/86/99/523418699.db2.gz MZJFSNRLLRWBDW-UJLSWVIWSA-N 0 0 408.494 5.187 50 30 HKEARN COc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(OC)cc3OC)C2=O)c(OC)c1 ZINC000245296635 523419896 /nfs/dbraw/zinc/41/98/96/523419896.db2.gz MZJFSNRLLRWBDW-UTJZJESFSA-N 0 0 408.494 5.187 50 30 HKEARN CC(C)c1ccc(/C=C2\C[C@@H](C(C)(C)C)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000245297254 571223655 /nfs/dbraw/zinc/22/36/55/571223655.db2.gz RWWPLANHRNFNMR-HGKMIYOJSA-N 0 0 414.633 8.426 50 30 HKEARN CC(C)c1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000245297255 519834270 /nfs/dbraw/zinc/83/42/70/519834270.db2.gz RWWPLANHRNFNMR-NCKXYRMBSA-N 0 0 414.633 8.426 50 30 HKEARN C[C@H]1C/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)C1 ZINC000245309354 569370576 /nfs/dbraw/zinc/37/05/76/569370576.db2.gz CHWYPPRBAWCRMC-BXYYLCOUSA-N 0 0 424.384 7.190 50 30 HKEARN C[C@@H]1C/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)C1 ZINC000245309357 569370614 /nfs/dbraw/zinc/37/06/14/569370614.db2.gz CHWYPPRBAWCRMC-KZMPDLLWSA-N 0 0 424.384 7.190 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000245377427 569370600 /nfs/dbraw/zinc/37/06/00/569370600.db2.gz LGWMHNQKTCVZTP-ATANXXGXSA-N 0 0 421.537 5.481 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000245377428 569370580 /nfs/dbraw/zinc/37/05/80/569370580.db2.gz LGWMHNQKTCVZTP-HIHCUNAASA-N 0 0 421.537 5.481 50 30 HKEARN COc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000245391959 571228021 /nfs/dbraw/zinc/22/80/21/571228021.db2.gz ROLCMYQRKXGMSQ-UJLSWVIWSA-N 0 0 408.494 5.187 50 30 HKEARN COc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000245391961 571228048 /nfs/dbraw/zinc/22/80/48/571228048.db2.gz ROLCMYQRKXGMSQ-UTJZJESFSA-N 0 0 408.494 5.187 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000245391989 571227994 /nfs/dbraw/zinc/22/79/94/571227994.db2.gz UMTNXSOYNXUORQ-DQFYAAJASA-N 0 0 406.570 6.043 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000245391991 571228051 /nfs/dbraw/zinc/22/80/51/571228051.db2.gz UMTNXSOYNXUORQ-VGXAJBSDSA-N 0 0 406.570 6.043 50 30 HKEARN N#C[C@@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 ZINC000247653709 559109092 /nfs/dbraw/zinc/10/90/92/559109092.db2.gz ODRWOUKIHMCLJQ-GMAHTHKFSA-N 0 0 416.506 5.095 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000247657417 569370875 /nfs/dbraw/zinc/37/08/75/569370875.db2.gz QGVQZRDQPDLHHV-RACBGXLOSA-N 0 0 402.732 8.326 50 30 biogenic HKEARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000247939201 559255974 /nfs/dbraw/zinc/25/59/74/559255974.db2.gz FSQGQORDNDJOKE-MYJAWHEDSA-N 0 0 422.291 5.048 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4c(C(C#N)C#N)csc4[C@H]3CC[C@]21C ZINC000248261018 569371783 /nfs/dbraw/zinc/37/17/83/569371783.db2.gz MKHNPPYVMVKVJL-IVSWRXFHSA-N 0 0 422.682 7.814 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4c(C(C#N)C#N)csc4[C@H]3CC[C@@]21C ZINC000248261023 569371756 /nfs/dbraw/zinc/37/17/56/569371756.db2.gz MKHNPPYVMVKVJL-PVBJERRCSA-N 0 0 422.682 7.814 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@@]21C ZINC000248261027 519648572 /nfs/dbraw/zinc/64/85/72/519648572.db2.gz MKHNPPYVMVKVJL-XYYULSBXSA-N 0 0 422.682 7.814 50 30 HKEARN CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000250574727 569258115 /nfs/dbraw/zinc/25/81/15/569258115.db2.gz NJWYLVQOSGELIN-FAUZKNKFSA-N 0 0 420.637 6.776 50 30 HKEARN CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000250574728 519834300 /nfs/dbraw/zinc/83/43/00/519834300.db2.gz NJWYLVQOSGELIN-QHCSAWBJSA-N 0 0 420.637 6.776 50 30 HKEARN N#Cc1c2c(sc1N=Cc1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2 ZINC000250775735 569258287 /nfs/dbraw/zinc/25/82/87/569258287.db2.gz DRPWEQZUIQKYDO-UHFFFAOYSA-N 0 0 401.318 6.816 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)cc2)C[C@@H](c2ccccc2)C/C1=C/c1ccc(Cl)cc1 ZINC000250818773 569258444 /nfs/dbraw/zinc/25/84/44/569258444.db2.gz QGYABMNFULJNKT-PUBUZBAISA-N 0 0 419.351 7.607 50 30 HKEARN O=C1/C(=C/c2ccc(Cl)cc2)C[C@H](c2ccccc2)C/C1=C/c1ccc(Cl)cc1 ZINC000250818774 526940531 /nfs/dbraw/zinc/94/05/31/526940531.db2.gz QGYABMNFULJNKT-SEUPFNDSSA-N 0 0 419.351 7.607 50 30 HKEARN Cc1cc(C=NO)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000251250374 569371952 /nfs/dbraw/zinc/37/19/52/569371952.db2.gz ASCPBUASEISVCY-UHFFFAOYSA-N 0 0 407.539 5.403 50 30 HKEARN CCC(C)(C)[C@@H]1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000251284276 569259332 /nfs/dbraw/zinc/25/93/32/569259332.db2.gz OUNOQAPNNMWORK-DCHPAVENSA-N 0 0 413.388 7.876 50 30 HKEARN CCC(C)(C)[C@H]1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000251284287 521364081 /nfs/dbraw/zinc/36/40/81/521364081.db2.gz OUNOQAPNNMWORK-ODAMYASBSA-N 0 0 413.388 7.876 50 30 HKEARN CCC(C)(C)[C@@H]1C/C(=C\c2cccc(OC)c2)C(=O)/C(=C\c2cccc(OC)c2)C1 ZINC000251303659 569259398 /nfs/dbraw/zinc/25/93/98/569259398.db2.gz RSHVYKRCDXSXTA-HEFZEIJBSA-N 0 0 404.550 6.586 50 30 HKEARN CCC(C)(C)[C@H]1C/C(=C\c2cccc(OC)c2)C(=O)/C(=C\c2cccc(OC)c2)C1 ZINC000251303671 521363431 /nfs/dbraw/zinc/36/34/31/521363431.db2.gz RSHVYKRCDXSXTA-VLFSTSLSSA-N 0 0 404.550 6.586 50 30 HKEARN CC[C@@H]1C/C(=C\c2cc(OC)ccc2OC)C(=O)/C(=C\c2cc(OC)ccc2OC)C1 ZINC000251675975 569260396 /nfs/dbraw/zinc/26/03/96/569260396.db2.gz OYGUFWVWKCAYFS-BFPUBRAUSA-N 0 0 422.521 5.577 50 30 HKEARN CC[C@H]1C/C(=C\c2cc(OC)ccc2OC)C(=O)/C(=C\c2cc(OC)ccc2OC)C1 ZINC000251675982 569260380 /nfs/dbraw/zinc/26/03/80/569260380.db2.gz OYGUFWVWKCAYFS-MDXQDHBRSA-N 0 0 422.521 5.577 50 30 HKEARN Cc1ccc(CN2CCN(N=Cc3cccc(OCc4ccccc4)c3)CC2)c(C)c1 ZINC000252320661 569371947 /nfs/dbraw/zinc/37/19/47/569371947.db2.gz JOMPLBCMTNCZMV-UHFFFAOYSA-N 0 0 413.565 5.034 50 30 HKEARN CCCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]2(C)C1=O ZINC000252427877 569285282 /nfs/dbraw/zinc/28/52/82/569285282.db2.gz JCOSBAWMYWWBFV-FTXOLSDMSA-N 0 0 404.554 5.420 50 30 HKEARN CCCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O ZINC000252427878 569285285 /nfs/dbraw/zinc/28/52/85/569285285.db2.gz JCOSBAWMYWWBFV-LJRFWBOOSA-N 0 0 404.554 5.420 50 30 HKEARN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000252428015 569285257 /nfs/dbraw/zinc/28/52/57/569285257.db2.gz NTWGOOVKOLVKLF-CZZXEVCUSA-N 0 0 404.558 5.330 50 30 HKEARN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000252428016 569285290 /nfs/dbraw/zinc/28/52/90/569285290.db2.gz NTWGOOVKOLVKLF-LQYVFEFJSA-N 0 0 404.558 5.330 50 30 HKEARN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C ZINC000252428017 569285252 /nfs/dbraw/zinc/28/52/52/569285252.db2.gz NTWGOOVKOLVKLF-LUVPPNKHSA-N 0 0 404.558 5.330 50 30 HKEARN N#CC1=C(c2ccccc2)C(=NNc2ccc(Cl)cc2)C(=O)n2c3ccccc3nc21 ZINC000252428049 569387413 /nfs/dbraw/zinc/38/74/13/569387413.db2.gz OTGJXKPPFCUYFH-UHFFFAOYSA-N 0 0 423.863 6.801 50 30 HKEARN CSC(=NC(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1 ZINC000252428248 569371911 /nfs/dbraw/zinc/37/19/11/569371911.db2.gz VUCTUWWTWBLEEL-UHFFFAOYSA-N 0 0 403.550 7.393 50 30 HKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5)ccc4[C@H]3CC[C@@]21C ZINC000252428460 569371949 /nfs/dbraw/zinc/37/19/49/569371949.db2.gz FXQAXGWCZPTTRN-OYHZZYGJSA-N 0 0 417.505 5.608 50 30 HKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5)ccc4[C@@H]3CC[C@]21C ZINC000252428461 569371976 /nfs/dbraw/zinc/37/19/76/569371976.db2.gz FXQAXGWCZPTTRN-QJEZIUSSSA-N 0 0 417.505 5.608 50 30 HKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5)ccc4[C@H]3CC[C@]21C ZINC000252428462 518358866 /nfs/dbraw/zinc/35/88/66/518358866.db2.gz FXQAXGWCZPTTRN-SDVOOXDOSA-N 0 0 417.505 5.608 50 30 HKEARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@]4(C)CC(=O)/C(=C/c5ccccc5)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252428594 569372060 /nfs/dbraw/zinc/37/20/60/569372060.db2.gz PKVGSSXTDXHOQC-XRBUUBHXSA-N 0 0 406.610 6.433 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC(Br)=Cc1ccccc1 ZINC000252429310 569372089 /nfs/dbraw/zinc/37/20/89/569372089.db2.gz BMKJGUSHJUERCD-NYWKFCTQSA-N 0 0 419.735 5.157 50 30 HKEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000252429325 569285403 /nfs/dbraw/zinc/28/54/03/569285403.db2.gz CRZDVQWNOMNISE-UHFFFAOYSA-N 0 0 405.354 5.720 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC(Cl)=Cc1ccccc1 ZINC000252429337 569372107 /nfs/dbraw/zinc/37/21/07/569372107.db2.gz FCGHOAVWOZSLJQ-MOLUGADWSA-N 0 0 409.729 5.654 50 30 HKEARN Cl/C(C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000252429342 569285324 /nfs/dbraw/zinc/28/53/24/569285324.db2.gz FJAHAMZVQINZKB-FFROYRAFSA-N 0 0 413.952 5.640 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Cl)c1Cl ZINC000252429344 569285375 /nfs/dbraw/zinc/28/53/75/569285375.db2.gz FLLUVGJIVYQTKS-UHFFFAOYSA-N 0 0 418.136 5.730 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c(Cl)cccc1Cl ZINC000252429361 569285366 /nfs/dbraw/zinc/28/53/66/569285366.db2.gz HHAARQIKVDZYRB-UHFFFAOYSA-N 0 0 418.136 5.730 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(Br)c2)cc1 ZINC000252429374 569285367 /nfs/dbraw/zinc/28/53/67/569285367.db2.gz IKEQMRPFYAIWFX-UHFFFAOYSA-N 0 0 415.360 5.176 50 30 HKEARN Clc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000252429420 569285326 /nfs/dbraw/zinc/28/53/26/569285326.db2.gz MCNKNEUWFPOBKM-UHFFFAOYSA-N 0 0 422.359 5.715 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000252429422 569285342 /nfs/dbraw/zinc/28/53/42/569285342.db2.gz MUFCLWAKVXJBIC-UHFFFAOYSA-N 0 0 405.354 5.720 50 30 HKEARN Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000252429433 569372078 /nfs/dbraw/zinc/37/20/78/569372078.db2.gz OGFHJHKRGYHBLU-UHFFFAOYSA-N 0 0 400.507 5.003 50 30 HKEARN COc1ccccc1/C=C\C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000252429478 569285328 /nfs/dbraw/zinc/28/53/28/569285328.db2.gz TZGWMQUPMCHRJQ-QDQOTWJTSA-N 0 0 409.533 5.082 50 30 HKEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000252429511 569285377 /nfs/dbraw/zinc/28/53/77/569285377.db2.gz YIUIOVKOGQXYKJ-UHFFFAOYSA-N 0 0 420.925 5.348 50 30 HKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000252429517 569285391 /nfs/dbraw/zinc/28/53/91/569285391.db2.gz YQXKGUJOMJIAFQ-UHFFFAOYSA-N 0 0 405.354 5.720 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000252430730 569285373 /nfs/dbraw/zinc/28/53/73/569285373.db2.gz HEISBLGPHCGBTI-RRDIPMHDSA-N 0 0 406.953 6.467 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000252430751 569285496 /nfs/dbraw/zinc/28/54/96/569285496.db2.gz IATLNWYXDOFXTO-CTPFSLOMSA-N 0 0 404.554 5.339 50 30 HKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000252430819 525533778 /nfs/dbraw/zinc/53/37/78/525533778.db2.gz LYWNEJOPIMJYIT-KUWSSDOMSA-N 0 0 414.589 6.937 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000252430998 569285482 /nfs/dbraw/zinc/28/54/82/569285482.db2.gz XQQADLVGNFCRTE-DHKIVIBESA-N 0 0 424.947 6.516 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000252430999 569285476 /nfs/dbraw/zinc/28/54/76/569285476.db2.gz XQQADLVGNFCRTE-UQEVERCHSA-N 0 0 424.947 6.516 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccccc1Cl ZINC000252431022 525351442 /nfs/dbraw/zinc/35/14/42/525351442.db2.gz YNVCJSGLQPABDN-DDMDFTJSSA-N 0 0 406.957 6.377 50 30 HKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccccc1Cl ZINC000252431023 569285494 /nfs/dbraw/zinc/28/54/94/569285494.db2.gz YNVCJSGLQPABDN-ZQIWOPDFSA-N 0 0 406.957 6.377 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000252441261 560041190 /nfs/dbraw/zinc/04/11/90/560041190.db2.gz MNGYOFNIAOWXIT-HUBRGWSESA-N 0 0 424.537 5.512 50 30 biogenic,in-vitro HKEARN Fc1ccc(-c2nc(CON=Cc3cccc(OCc4ccncc4)c3)co2)cc1 ZINC000252452490 569286405 /nfs/dbraw/zinc/28/64/05/569286405.db2.gz LNRBQAFABMWODZ-UHFFFAOYSA-N 0 0 403.413 5.005 50 30 HKEARN Cc1ccc2sc(-c3ccc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)cc3)nc2c1 ZINC000252460116 569286625 /nfs/dbraw/zinc/28/66/25/569286625.db2.gz BTHWULUBNSAVAO-UHFFFAOYSA-N 0 0 417.446 5.659 50 30 HKEARN Cc1ccsc1C=Nc1ccc(Cc2ccc(N=Cc3sccc3C)cc2)cc1 ZINC000252460173 569286598 /nfs/dbraw/zinc/28/65/98/569286598.db2.gz CGQMKHOIUUDISU-UHFFFAOYSA-N 0 0 414.599 7.518 50 30 HKEARN Cc1sc(N=NC(C)c2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1 ZINC000252460281 569286689 /nfs/dbraw/zinc/28/66/89/569286689.db2.gz DBQZNUWCFZLZNF-UHFFFAOYSA-N 0 0 413.546 6.534 50 30 HKEARN Cc1cccc(NC(=S)NN=C(/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000252460454 569286684 /nfs/dbraw/zinc/28/66/84/569286684.db2.gz FNANEVLRXKKDST-NKSZDZGKSA-N 0 0 416.506 5.307 50 30 HKEARN Cc1cccc(NC(=S)NN=C(/C=C\c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000252460455 569286730 /nfs/dbraw/zinc/28/67/30/569286730.db2.gz FNANEVLRXKKDST-RAVJFKJJSA-N 0 0 416.506 5.307 50 30 HKEARN COc1ccc2ccccc2c1C=Nc1ccc(C)c(I)c1 ZINC000252460526 569286721 /nfs/dbraw/zinc/28/67/21/569286721.db2.gz GCLUYCJKIVFLAO-UHFFFAOYSA-N 0 0 401.247 5.512 50 30 HKEARN Cc1c(Cc2ccccc2)sc(N=Cc2ccc(Br)s2)c1C(N)=O ZINC000252460698 569286680 /nfs/dbraw/zinc/28/66/80/569286680.db2.gz HNHXIZFLIURXEM-UHFFFAOYSA-N 0 0 419.369 5.321 50 30 HKEARN Fc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(F)cc4)cc3)cc2)cc1 ZINC000252460886 569286692 /nfs/dbraw/zinc/28/66/92/569286692.db2.gz IWJIMNVJGAIOQS-UHFFFAOYSA-N 0 0 410.467 7.057 50 30 HKEARN Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc32)c1C(N)=O ZINC000252461104 569286820 /nfs/dbraw/zinc/28/68/20/569286820.db2.gz KMOCCUDACMAAFO-UHFFFAOYSA-N 0 0 400.503 5.356 50 30 HKEARN COc1ccc(C=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc12 ZINC000252461112 569286707 /nfs/dbraw/zinc/28/67/07/569286707.db2.gz KPLVDNHUTFVJOO-UHFFFAOYSA-N 0 0 422.550 5.164 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 ZINC000252461431 569286756 /nfs/dbraw/zinc/28/67/56/569286756.db2.gz MIKQEZTVZPSUMQ-UHFFFAOYSA-N 0 0 418.316 5.036 50 30 HKEARN C(=NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000252461466 569286761 /nfs/dbraw/zinc/28/67/61/569286761.db2.gz MREDZLWXXORBND-UHFFFAOYSA-N 0 0 420.512 6.298 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccc(Br)s4)cc3)sc2c1 ZINC000252461626 569286762 /nfs/dbraw/zinc/28/67/62/569286762.db2.gz NCTIJTVKXYFICD-UHFFFAOYSA-N 0 0 413.365 6.846 50 30 HKEARN Clc1cccc(C=Nc2ccc(N=Cc3cccc(Cl)c3Cl)cc2)c1Cl ZINC000252462330 569286765 /nfs/dbraw/zinc/28/67/65/569286765.db2.gz RPAOMHFODHHXGU-UHFFFAOYSA-N 0 0 422.142 7.801 50 30 HKEARN O=S(=O)([N-]c1nccs1)c1ccc(N=Cc2cccc(Cl)c2Cl)cc1 ZINC000252462502 569286976 /nfs/dbraw/zinc/28/69/76/569286976.db2.gz SUFXPLAQCJQRNI-UHFFFAOYSA-N 0 0 412.323 5.001 50 30 HKEARN C(=NN=Cc1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1 ZINC000252462668 569287008 /nfs/dbraw/zinc/28/70/08/569287008.db2.gz VFWWLQPTOXHELN-UHFFFAOYSA-N 0 0 420.512 6.298 50 30 HKEARN Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] ZINC000252463087 569286961 /nfs/dbraw/zinc/28/69/61/569286961.db2.gz YULOKAZQDZFPHN-UHFFFAOYSA-N 0 0 402.410 5.621 50 30 HKEARN O=C1c2ccccc2C(=O)C1=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000252463745 527129106 /nfs/dbraw/zinc/12/91/06/527129106.db2.gz YENYUAVSTSFOAM-UHFFFAOYSA-N 0 0 417.464 6.295 50 30 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/nfs/dbraw/zinc/29/11/56/569291156.db2.gz UZHONNKCFTWPGY-CAPFRKAQSA-N 0 0 408.454 5.289 50 30 HKEARN CN(C)c1ccc(/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)cc1 ZINC000252511746 569291918 /nfs/dbraw/zinc/29/19/18/569291918.db2.gz KHWMMNOVUASODC-JSBOEHCPSA-N 0 0 419.609 5.639 50 30 HKEARN CN(C)c1ccc(/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)cc1 ZINC000252511747 522131230 /nfs/dbraw/zinc/13/12/30/522131230.db2.gz KHWMMNOVUASODC-YAPMSVCJSA-N 0 0 419.609 5.639 50 30 HKEARN C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C1CCCCCCC1 ZINC000252512340 569291886 /nfs/dbraw/zinc/29/18/86/569291886.db2.gz PKHYMRGDCCLXRF-UHFFFAOYSA-N 0 0 405.514 5.853 50 30 HKEARN CCCCN=c1scc(-c2cc(OC)ccc2OC)n1N=C1CCCCCCC1 ZINC000252512792 569291997 /nfs/dbraw/zinc/29/19/97/569291997.db2.gz VRYXQQYDROZLOG-UHFFFAOYSA-N 0 0 415.603 5.883 50 30 HKEARN COc1ccc(OC)c(/C=C2\C[C@@H](C)C/C(=C/c3cc(OC)ccc3OC)C2=O)c1 ZINC000252514935 569292191 /nfs/dbraw/zinc/29/21/91/569292191.db2.gz 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CCCOc1c(/C=C2\SC(=Nc3ccccc3CC)N(CC)C2=O)cccc1OC ZINC000252588924 569294869 /nfs/dbraw/zinc/29/48/69/569294869.db2.gz AFXDWCDHWMSSBD-SNSRFIGSSA-N 0 0 424.566 5.670 50 30 HKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000252589168 569294876 /nfs/dbraw/zinc/29/48/76/569294876.db2.gz AHUDTIXONLYRJY-UHFFFAOYSA-N 0 0 405.841 6.424 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCSc1nnc(-c2ccccc2O)o1 ZINC000252589320 569294915 /nfs/dbraw/zinc/29/49/15/569294915.db2.gz AITCEGBMORWMNW-DRMXPCRNSA-N 0 0 412.599 6.723 50 30 HKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccccc2O)o1 ZINC000252589321 569294866 /nfs/dbraw/zinc/29/48/66/569294866.db2.gz AITCEGBMORWMNW-FPGHNAPASA-N 0 0 412.599 6.723 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)ccc4O)c3)nc2c1 ZINC000252589355 569294892 /nfs/dbraw/zinc/29/48/92/569294892.db2.gz AJMYTAVISWTUIT-UHFFFAOYSA-N 0 0 407.267 6.022 50 30 HKEARN CC(=O)C(=NNc1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000252589363 569295013 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Cc1ccc(-c2nc3cc(N=Cc4cc(Br)ccc4O)ccc3o2)cc1 ZINC000252590391 569295043 /nfs/dbraw/zinc/29/50/43/569295043.db2.gz ASKREDZUGLOJGJ-UHFFFAOYSA-N 0 0 407.267 6.022 50 30 HKEARN COc1cc(C=NNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000252590408 569295048 /nfs/dbraw/zinc/29/50/48/569295048.db2.gz ASYWCFWCRGEJCM-UHFFFAOYSA-N 0 0 423.900 5.121 50 30 HKEARN Cc1cc(-c2ccc(N=Cc3ccc(O)cc3)c(C)c2)ccc1N=Cc1ccc(O)cc1 ZINC000252590687 569295047 /nfs/dbraw/zinc/29/50/47/569295047.db2.gz AURJOOXMHJZRBA-UHFFFAOYSA-N 0 0 420.512 6.883 50 30 HKEARN COc1cc(C=Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252590913 569295525 /nfs/dbraw/zinc/29/55/25/569295525.db2.gz AXEKOKHPZOHONF-UHFFFAOYSA-N 0 0 407.382 5.363 50 30 HKEARN C(=Nc1ccc(-c2nc3cc(N=Cc4ccccc4)ccc3[nH]2)cc1)c1ccccc1 ZINC000252591107 569295567 /nfs/dbraw/zinc/29/55/67/569295567.db2.gz AXQXABFBLHXYOX-UHFFFAOYSA-N 0 0 400.485 6.731 50 30 HKEARN CCC(=NOC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccc(C)cc1 ZINC000252591195 569295638 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408.571 5.774 50 30 HKEARN Cc1cc(-c2ccc(N=Cc3ccccc3O)c(C)c2)ccc1N=Cc1ccccc1O ZINC000252592249 569295631 /nfs/dbraw/zinc/29/56/31/569295631.db2.gz BEDLGXJEYNEBOO-UHFFFAOYSA-N 0 0 420.512 6.883 50 30 HKEARN CCOC(=O)c1c(N=Cc2cc(Br)ccc2O)sc2c1CCCC2 ZINC000252592772 569296138 /nfs/dbraw/zinc/29/61/38/569296138.db2.gz BGZUNEWFFZHVSO-UHFFFAOYSA-N 0 0 408.317 5.022 50 30 HKEARN O=C(NCc1ccccc1)c1c2c(sc1N=Cc1c[nH]c3ccccc13)CCCC2 ZINC000252592776 569296125 /nfs/dbraw/zinc/29/61/25/569296125.db2.gz BHCMJNUJDSUWKH-UHFFFAOYSA-N 0 0 413.546 5.789 50 30 HKEARN Oc1ccc(Cl)cc1C=Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000252593463 569296131 /nfs/dbraw/zinc/29/61/31/569296131.db2.gz BJZQCBSUBXTRSC-UHFFFAOYSA-N 0 0 417.679 6.911 50 30 HKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000252593488 569296070 /nfs/dbraw/zinc/29/60/70/569296070.db2.gz BKHDTODHZWUOBR-HNYZTYFESA-N 0 0 416.502 5.600 50 30 HKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000252593490 569296083 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Cc1ccccc1-c1nc2cc(N=C/C=C/c3ccc(Cl)cc3Cl)ccc2o1 ZINC000252594612 569296205 /nfs/dbraw/zinc/29/62/05/569296205.db2.gz BUAKUDOPKIWAKU-HXOAUJQTSA-N 0 0 407.300 7.526 50 30 HKEARN Cc1ccccc1-c1nc2cc(N=C/C=C\c3ccc(Cl)cc3Cl)ccc2o1 ZINC000252594615 569296157 /nfs/dbraw/zinc/29/61/57/569296157.db2.gz BUAKUDOPKIWAKU-XYGGNFLRSA-N 0 0 407.300 7.526 50 30 HKEARN CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(C)cc1C ZINC000252594827 569296314 /nfs/dbraw/zinc/29/63/14/569296314.db2.gz BVENDPUHIAMCSN-CUCKYGFWSA-N 0 0 409.580 5.688 50 30 HKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1C ZINC000252594866 569296293 /nfs/dbraw/zinc/29/62/93/569296293.db2.gz BWCYCAUZXIJKDE-HNYZTYFESA-N 0 0 400.503 5.812 50 30 HKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1C ZINC000252594867 569296333 /nfs/dbraw/zinc/29/63/33/569296333.db2.gz BWCYCAUZXIJKDE-KGXUUABDSA-N 0 0 400.503 5.812 50 30 HKEARN S=C(NN=Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Cl)cc1Cl ZINC000252595785 569296257 /nfs/dbraw/zinc/29/62/57/569296257.db2.gz 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Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000252597030 569296543 /nfs/dbraw/zinc/29/65/43/569296543.db2.gz CNZSXSSKVWGQRQ-IYLIDVPDSA-N 0 0 411.546 5.718 50 30 HKEARN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000252597031 569296576 /nfs/dbraw/zinc/29/65/76/569296576.db2.gz CNZSXSSKVWGQRQ-RFWMZAAKSA-N 0 0 411.546 5.718 50 30 HKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252597196 569296581 /nfs/dbraw/zinc/29/65/81/569296581.db2.gz CPHOUSNDEFIQKX-BZMHFZIGSA-N 0 0 421.547 5.049 50 30 HKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252597197 569296564 /nfs/dbraw/zinc/29/65/64/569296564.db2.gz CPHOUSNDEFIQKX-CUCKYGFWSA-N 0 0 421.547 5.049 50 30 HKEARN CCCCCCCCS(=O)(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000252597221 569296544 /nfs/dbraw/zinc/29/65/44/569296544.db2.gz CQBJWFQOFGSAGC-UHFFFAOYSA-N 0 0 424.651 5.601 50 30 HKEARN O=[N+]([O-])c1ccc(C=NN=C2CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000252597277 569296561 /nfs/dbraw/zinc/29/65/61/569296561.db2.gz CRBUWAZQXGYSMH-UHFFFAOYSA-N 0 0 414.509 6.283 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252597693 569296545 /nfs/dbraw/zinc/29/65/45/569296545.db2.gz CTPDULBJJINEQS-APPGCKKWSA-N 0 0 408.567 5.962 50 30 HKEARN CCN1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252597694 569296583 /nfs/dbraw/zinc/29/65/83/569296583.db2.gz CTPDULBJJINEQS-OJVQYLDISA-N 0 0 408.567 5.962 50 30 HKEARN CCOc1ccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2CC)cc1 ZINC000252598400 569296713 /nfs/dbraw/zinc/29/67/13/569296713.db2.gz CZSXICGEBZDTSF-CGMQVKNUSA-N 0 0 421.316 5.065 50 30 HKEARN CCOc1ccc(N=C2S/C(=C\c3ccc(Br)o3)C(=O)N2CC)cc1 ZINC000252598401 569296691 /nfs/dbraw/zinc/29/66/91/569296691.db2.gz CZSXICGEBZDTSF-CYIIUJIZSA-N 0 0 421.316 5.065 50 30 HKEARN COC(=O)c1ccc(-c2ccc(C=Nc3cccc(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000252598443 569296703 /nfs/dbraw/zinc/29/67/03/569296703.db2.gz DATGMOARNZEXTE-UHFFFAOYSA-N 0 0 422.440 6.292 50 30 HKEARN Cc1ccc2oc(-c3cc(N=Cc4c(O)ccc5ccccc54)ccc3Cl)nc2c1 ZINC000252598482 569296415 /nfs/dbraw/zinc/29/64/15/569296415.db2.gz DBQGHGAEKRRMSL-UHFFFAOYSA-N 0 0 412.876 7.066 50 30 HKEARN CC(=O)Oc1c(C=Nc2cc(C)ccc2C)c2c(cc1[N+](=O)[O-])oc1c2CCCC1 ZINC000252598763 569296701 /nfs/dbraw/zinc/29/67/01/569296701.db2.gz DDKNJYVYRKCYOI-UHFFFAOYSA-N 0 0 406.438 5.513 50 30 HKEARN COc1cc(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1OC ZINC000252598968 569296699 /nfs/dbraw/zinc/29/66/99/569296699.db2.gz DFVKEVXXGNNGOV-KCBCAQTCSA-N 0 0 423.321 5.244 50 30 HKEARN COc1cc(Cl)cc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1OC ZINC000252598969 569296668 /nfs/dbraw/zinc/29/66/68/569296668.db2.gz DFVKEVXXGNNGOV-WBXVYAGQSA-N 0 0 423.321 5.244 50 30 HKEARN COc1ccc2c(c1)C=C1C(=CC(=Nc3ccc(Br)cc3)CC1(C)C)O2 ZINC000252599139 569296695 /nfs/dbraw/zinc/29/66/95/569296695.db2.gz DGKZECPVMHMEPS-UHFFFAOYSA-N 0 0 410.311 6.320 50 30 HKEARN COc1ccc(N2C(SC)=NC(=Nc3cccc(Cl)c3)C23CCCCC3)cc1 ZINC000252599142 569296733 /nfs/dbraw/zinc/29/67/33/569296733.db2.gz DGLLNGUVDGKWNR-UHFFFAOYSA-N 0 0 413.974 6.321 50 30 HKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2c(O)ccc3ccccc32)n1 ZINC000252599243 569296794 /nfs/dbraw/zinc/29/67/94/569296794.db2.gz DHHCVMVHOAVOBL-UHFFFAOYSA-N 0 0 413.458 5.221 50 30 HKEARN CCc1ccc(N=C2S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 ZINC000252599936 569296753 /nfs/dbraw/zinc/29/67/53/569296753.db2.gz DNCVZSRWGTUUNM-IYLIDVPDSA-N 0 0 422.937 6.396 50 30 HKEARN CCc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 ZINC000252599937 569296784 /nfs/dbraw/zinc/29/67/84/569296784.db2.gz DNCVZSRWGTUUNM-RFWMZAAKSA-N 0 0 422.937 6.396 50 30 HKEARN c1ccc2c(c1)cccc2-n1nnnc1N=NCc1c2ccccc2cc2ccccc21 ZINC000252599968 569296792 /nfs/dbraw/zinc/29/67/92/569296792.db2.gz DNTBNPFTCCGQKI-UHFFFAOYSA-N 0 0 414.472 5.568 50 30 HKEARN CCOc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3O)C(=O)N2CC)cc1 ZINC000252600203 569296830 /nfs/dbraw/zinc/29/68/30/569296830.db2.gz DONUJMPKVCNWIX-OUCYFQBSSA-N 0 0 402.903 5.068 50 30 HKEARN 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 ZINC000252600473 523620529 /nfs/dbraw/zinc/62/05/29/523620529.db2.gz DRNZIQCLIKZYPJ-AAVWCIISSA-N 0 0 422.613 5.406 50 30 biogenic HKEARN C(=NN(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-n3cnnn3)cc2)o1 ZINC000252600934 569296861 /nfs/dbraw/zinc/29/68/61/569296861.db2.gz DWDMYNGRYLVSHB-UHFFFAOYSA-N 0 0 406.449 5.095 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252601432 569296990 /nfs/dbraw/zinc/29/69/90/569296990.db2.gz FAODDNXUWZRRDC-RACBGXLOSA-N 0 0 402.732 8.326 50 30 HKEARN CC(C)(C)c1cc(CN=Nc2nccc(-c3ccccc3)n2)cc(C(C)(C)C)c1O ZINC000252601699 569296893 /nfs/dbraw/zinc/29/68/93/569296893.db2.gz FBODFZRYUGVBID-UHFFFAOYSA-N 0 0 402.542 5.890 50 30 HKEARN CCOc1ccccc1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252601757 569296952 /nfs/dbraw/zinc/29/69/52/569296952.db2.gz FCRDNJYLCIIJLF-OUUDUQSLSA-N 0 0 400.503 5.894 50 30 HKEARN CCOc1ccccc1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252601758 569296855 /nfs/dbraw/zinc/29/68/55/569296855.db2.gz FCRDNJYLCIIJLF-ZINKLTMQSA-N 0 0 400.503 5.894 50 30 HKEARN CCCN1C(=O)/C(=C\c2ccc(OCC#N)c(OCC)c2)SC1=Nc1ccccc1 ZINC000252601907 569297036 /nfs/dbraw/zinc/29/70/36/569297036.db2.gz FDRNWSBQAFHIHQ-LIKMOULWSA-N 0 0 421.522 5.002 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OCC)c2)SC1=Nc1ccccc1 ZINC000252601908 569297000 /nfs/dbraw/zinc/29/70/00/569297000.db2.gz FDRNWSBQAFHIHQ-QWKKMKHHSA-N 0 0 421.522 5.002 50 30 HKEARN CCCCOc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000252601969 569296992 /nfs/dbraw/zinc/29/69/92/569296992.db2.gz FEYDJLYIRWSIGJ-UHFFFAOYSA-N 0 0 423.520 5.831 50 30 HKEARN COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)SC1=Nc1ccccc1 ZINC000252602395 569297132 /nfs/dbraw/zinc/29/71/32/569297132.db2.gz FHEFQHQWQUQCJJ-IBORXNHRSA-N 0 0 419.550 5.473 50 30 HKEARN COCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)SC1=Nc1ccccc1 ZINC000252602396 569297140 /nfs/dbraw/zinc/29/71/40/569297140.db2.gz FHEFQHQWQUQCJJ-LAJNNLEESA-N 0 0 419.550 5.473 50 30 HKEARN CSc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000252602692 569297146 /nfs/dbraw/zinc/29/71/46/569297146.db2.gz FJIVHKZWORNFLC-NXZXOXKRSA-N 0 0 402.544 6.217 50 30 HKEARN CSc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000252602693 569297113 /nfs/dbraw/zinc/29/71/13/569297113.db2.gz FJIVHKZWORNFLC-YSKMNUJESA-N 0 0 402.544 6.217 50 30 HKEARN Clc1ccc(C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 ZINC000252602744 569297130 /nfs/dbraw/zinc/29/71/30/569297130.db2.gz FKQQUOWYCRPCND-UHFFFAOYSA-N 0 0 401.680 7.206 50 30 HKEARN COc1ccc(C=Nc2cc([N+](=O)[O-])cc(N=Cc3ccc(OC)cc3)c2C)cc1 ZINC000252602761 569297021 /nfs/dbraw/zinc/29/70/21/569297021.db2.gz FKYYGHONYFZVQT-UHFFFAOYSA-N 0 0 403.438 5.422 50 30 HKEARN CC1(C)Cc2nc3c(c(-c4ccc(Cl)cc4)c2C(=NO)C1)C(=NO)CC(C)(C)C3 ZINC000252602951 569297238 /nfs/dbraw/zinc/29/72/38/569297238.db2.gz FMWFLKPXEUHSBO-UHFFFAOYSA-N 0 0 411.933 5.703 50 30 HKEARN CSC1=NC(=Nc2c(C)cccc2C)C(C)(C)N1c1ccc(Br)cc1 ZINC000252602971 569297232 /nfs/dbraw/zinc/29/72/32/569297232.db2.gz FNKAFBOUCSPCSC-UHFFFAOYSA-N 0 0 416.388 6.114 50 30 HKEARN Cc1cc2nc(-c3cccc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1 ZINC000252602976 569297248 /nfs/dbraw/zinc/29/72/48/569297248.db2.gz FNOMZLZWERJEEM-UHFFFAOYSA-N 0 0 415.405 5.499 50 30 HKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccc(Br)cc1 ZINC000252603134 569297271 /nfs/dbraw/zinc/29/72/71/569297271.db2.gz FNWPWQIDILMVBL-UHFFFAOYSA-N 0 0 407.315 5.389 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1C ZINC000252603261 569297112 /nfs/dbraw/zinc/29/71/12/569297112.db2.gz FPNQBOXZIXDCLC-APPGCKKWSA-N 0 0 416.502 5.523 50 30 HKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1C ZINC000252603262 569297159 /nfs/dbraw/zinc/29/71/59/569297159.db2.gz FPNQBOXZIXDCLC-OJVQYLDISA-N 0 0 416.502 5.523 50 30 HKEARN CCc1ccccc1N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1CC ZINC000252603274 569297121 /nfs/dbraw/zinc/29/71/21/569297121.db2.gz FPVVITOOPBKBNP-MMKHHPBPSA-N 0 0 412.558 6.620 50 30 HKEARN CCc1ccccc1N=C1S/C(=C/c2ccccc2)C(=O)N1c1ccccc1CC ZINC000252603275 569297137 /nfs/dbraw/zinc/29/71/37/569297137.db2.gz FPVVITOOPBKBNP-ZNCAUEQNSA-N 0 0 412.558 6.620 50 30 HKEARN Cc1ccc2oc(-c3ccc(N=Cc4ccc(-c5ccccc5Cl)o4)cc3)nc2c1 ZINC000252603405 569297105 /nfs/dbraw/zinc/29/71/05/569297105.db2.gz FQKXMZVMYYAZDH-UHFFFAOYSA-N 0 0 412.876 7.467 50 30 HKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000252603412 569297223 /nfs/dbraw/zinc/29/72/23/569297223.db2.gz FQPHACNNBRGFGH-UHFFFAOYSA-N 0 0 416.868 6.160 50 30 HKEARN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000252603423 569297227 /nfs/dbraw/zinc/29/72/27/569297227.db2.gz FQVVIGSVXYRINB-UHFFFAOYSA-N 0 0 407.583 6.914 50 30 HKEARN Brc1ccc(/C=C/C=Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000252603731 569297262 /nfs/dbraw/zinc/29/72/62/569297262.db2.gz FTJNKMIPBWPXJL-FGPAFIPDSA-N 0 0 403.279 6.673 50 30 HKEARN Brc1ccc(/C=C\C=Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000252603733 569297250 /nfs/dbraw/zinc/29/72/50/569297250.db2.gz FTJNKMIPBWPXJL-IVDZCBBXSA-N 0 0 403.279 6.673 50 30 HKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000252603959 569297241 /nfs/dbraw/zinc/29/72/41/569297241.db2.gz FVPADKPETCADKG-UHFFFAOYSA-N 0 0 415.888 5.458 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2N=Cc2ccc3c(c2)OCO3)cc1 ZINC000252603974 569297358 /nfs/dbraw/zinc/29/73/58/569297358.db2.gz FVWWRMMCTSNTSY-UHFFFAOYSA-N 0 0 411.505 5.861 50 30 HKEARN COc1ccc(-n2cnc3cc(N=Cc4ccc(Br)cc4)ccc32)cc1 ZINC000252603977 569297391 /nfs/dbraw/zinc/29/73/91/569297391.db2.gz FVYKPHMTDBUFIO-UHFFFAOYSA-N 0 0 406.283 5.547 50 30 HKEARN CN(N=Cc1sc2ccccc2c1OC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000252604185 569297405 /nfs/dbraw/zinc/29/74/05/569297405.db2.gz FYBWXGRZGWFYCK-UHFFFAOYSA-N 0 0 420.921 6.244 50 30 HKEARN COc1ccc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Br ZINC000252604379 569297389 /nfs/dbraw/zinc/29/73/89/569297389.db2.gz FZDDEEQJVQJTNX-UHFFFAOYSA-N 0 0 407.267 6.017 50 30 HKEARN Fc1ccc(-c2ccc(C=Nc3ccc4oc(-c5cccc(Cl)c5)nc4c3)o2)cc1 ZINC000252604602 569297370 /nfs/dbraw/zinc/29/73/70/569297370.db2.gz GAUBTKPYQVNSJS-UHFFFAOYSA-N 0 0 416.839 7.298 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2c(c1)CCC2 ZINC000252604801 569297352 /nfs/dbraw/zinc/29/73/52/569297352.db2.gz GDFYKUZBQUDVOJ-UHFFFAOYSA-N 0 0 412.356 5.897 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=Nc1ccc(OCC)cc1 ZINC000252605308 569297404 /nfs/dbraw/zinc/29/74/04/569297404.db2.gz GHVOVZIUHJARCB-NXZXOXKRSA-N 0 0 409.555 5.165 50 30 HKEARN CC(C)(C)c1cc(C=NN=C2c3ccccc3-c3ccccc32)cc(C(C)(C)C)c1O ZINC000252605337 569297390 /nfs/dbraw/zinc/29/73/90/569297390.db2.gz GIVXNCHDFYFCKO-UHFFFAOYSA-N 0 0 410.561 6.839 50 30 HKEARN Clc1ccccc1Cn1c2ccccc2nc1N=Cc1ccc(Br)cc1 ZINC000252605395 569297388 /nfs/dbraw/zinc/29/73/88/569297388.db2.gz GKFWEOXPALRODR-UHFFFAOYSA-N 0 0 424.729 6.251 50 30 HKEARN O=[N+]([O-])c1ccc(C(=Nc2cccc(Br)c2)n2cnc3ccccc32)cc1 ZINC000252605681 569372216 /nfs/dbraw/zinc/37/22/16/569372216.db2.gz GLUHHGXQPNHNLL-UHFFFAOYSA-N 0 0 421.254 5.334 50 30 HKEARN Brc1ccc2nc(N=NCc3ccccc3)nc(-c3ccccc3)c2c1 ZINC000252605788 569297357 /nfs/dbraw/zinc/29/73/57/569297357.db2.gz GLWZOJHHARFAPG-UHFFFAOYSA-N 0 0 403.283 5.505 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccccn32)ccc1Br ZINC000252605792 569297472 /nfs/dbraw/zinc/29/74/72/569297472.db2.gz GLYNDSBNFOZDLQ-UHFFFAOYSA-N 0 0 411.215 5.016 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000252605988 569297527 /nfs/dbraw/zinc/29/75/27/569297527.db2.gz GOHJFRTWBPGBMF-NDHAVUBYSA-N 0 0 403.825 6.472 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000252605989 569297518 /nfs/dbraw/zinc/29/75/18/569297518.db2.gz GOHJFRTWBPGBMF-XAVUPTSGSA-N 0 0 403.825 6.472 50 30 HKEARN CCCCCc1ccc(C=Nc2ccc(N=Cc3ccc(CCCCC)cc3)cc2)cc1 ZINC000252606125 569297445 /nfs/dbraw/zinc/29/74/45/569297445.db2.gz GPRHCWAVIORMGD-UHFFFAOYSA-N 0 0 424.632 8.653 50 30 HKEARN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000252606137 569297524 /nfs/dbraw/zinc/29/75/24/569297524.db2.gz GPSJHRHIRKAHJK-UHFFFAOYSA-N 0 0 400.778 5.171 50 30 HKEARN N#Cc1c2c(sc1N=Cc1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)CCCC2 ZINC000252606299 569297504 /nfs/dbraw/zinc/29/75/04/569297504.db2.gz GQRAOXUAJGOMLH-UHFFFAOYSA-N 0 0 411.870 6.071 50 30 HKEARN CN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=Nc1ccccc1 ZINC000252606308 569297452 /nfs/dbraw/zinc/29/74/52/569297452.db2.gz GQWLMDASGVVKKX-YKPRPPQLSA-N 0 0 412.312 5.164 50 30 HKEARN CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)SC1=Nc1ccccc1 ZINC000252606309 569297499 /nfs/dbraw/zinc/29/74/99/569297499.db2.gz GQWLMDASGVVKKX-ZNGADHCUSA-N 0 0 412.312 5.164 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1 ZINC000252606314 569297522 /nfs/dbraw/zinc/29/75/22/569297522.db2.gz GQYCYKNHEHGWAM-ATOJKVCKSA-N 0 0 401.944 5.334 50 30 HKEARN CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1 ZINC000252606315 569297530 /nfs/dbraw/zinc/29/75/30/569297530.db2.gz GQYCYKNHEHGWAM-OZPHXFORSA-N 0 0 401.944 5.334 50 30 HKEARN CN1c2ccccc2C(C)(C)/C1=C/C=Nc1ccc(I)cc1 ZINC000252606361 569297496 /nfs/dbraw/zinc/29/74/96/569297496.db2.gz GRYFTEDLRJINBW-WKVOYQFPSA-N 0 0 402.279 5.305 50 30 HKEARN COc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=NC(=O)c1ccccc1 ZINC000252606674 569297525 /nfs/dbraw/zinc/29/75/25/569297525.db2.gz GUHWVCWDPJYSNE-NPPZMEKISA-N 0 0 420.515 5.074 50 30 HKEARN COc1ccccc1N1C(=O)/C(=C\c2cccs2)SC1=NC(=O)c1ccccc1 ZINC000252606675 569297470 /nfs/dbraw/zinc/29/74/70/569297470.db2.gz GUHWVCWDPJYSNE-VUARGGTQSA-N 0 0 420.515 5.074 50 30 HKEARN CC(=Nn1cc(-c2ccccc2)nc1N=Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000252606808 569297512 /nfs/dbraw/zinc/29/75/12/569297512.db2.gz GVLMZELKBXLXBH-UHFFFAOYSA-N 0 0 414.896 5.932 50 30 HKEARN CCOC(=O)c1c(N=Cc2cc(Br)cc(C)c2O)sc2c1CCCC2 ZINC000252606818 569297520 /nfs/dbraw/zinc/29/75/20/569297520.db2.gz GVSFMKMSQKOGML-UHFFFAOYSA-N 0 0 422.344 5.331 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000252606821 569297450 /nfs/dbraw/zinc/29/74/50/569297450.db2.gz GVTSDOHWAQEJMU-UHFFFAOYSA-N 0 0 423.428 6.722 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252607007 569297610 /nfs/dbraw/zinc/29/76/10/569297610.db2.gz GXMOBDSRECTWGH-FABJILDNSA-N 0 0 409.514 6.285 50 30 HKEARN Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252607008 569297585 /nfs/dbraw/zinc/29/75/85/569297585.db2.gz GXMOBDSRECTWGH-WNOHRPASSA-N 0 0 409.514 6.285 50 30 HKEARN Cc1ccsc1/C=C1\SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O ZINC000252607037 569297559 /nfs/dbraw/zinc/29/75/59/569297559.db2.gz GXQUWDGMEVXGFV-AWAAXKIWSA-N 0 0 404.560 6.482 50 30 HKEARN Cc1ccsc1/C=C1/SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O ZINC000252607041 569297597 /nfs/dbraw/zinc/29/75/97/569297597.db2.gz GXQUWDGMEVXGFV-FUSVKQJLSA-N 0 0 404.560 6.482 50 30 HKEARN COc1ccc(-c2csc(N=NCc3c4ccccc4cc4ccccc43)n2)cc1 ZINC000252607079 569297619 /nfs/dbraw/zinc/29/76/19/569297619.db2.gz GXWXEBVEARXKDF-UHFFFAOYSA-N 0 0 409.514 6.571 50 30 HKEARN Cc1cccc2oc(-c3cccc(N=C/C=C\c4ccc(Cl)cc4Cl)c3)nc21 ZINC000252607090 569297608 /nfs/dbraw/zinc/29/76/08/569297608.db2.gz GXYAINUVUBJNOW-JSKXEOBDSA-N 0 0 407.300 7.526 50 30 HKEARN Cc1cccc2oc(-c3cccc(N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc21 ZINC000252607093 569297574 /nfs/dbraw/zinc/29/75/74/569297574.db2.gz GXYAINUVUBJNOW-XQKMJHQTSA-N 0 0 407.300 7.526 50 30 HKEARN Cc1cc(Br)c(O)c(C=Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 ZINC000252607163 569297563 /nfs/dbraw/zinc/29/75/63/569297563.db2.gz GYROWOOFRZIWQZ-UHFFFAOYSA-N 0 0 423.266 5.728 50 30 HKEARN N#Cc1c2c(sc1N=Cc1cc(Br)ccc1Br)CCCC2 ZINC000252607347 569297629 /nfs/dbraw/zinc/29/76/29/569297629.db2.gz HBAIVXRTTNQKFO-UHFFFAOYSA-N 0 0 424.161 5.774 50 30 HKEARN Cc1ccc2nc(-c3cccc(N=Cc4cc(C)cc(Br)c4O)c3)oc2c1 ZINC000252607652 569297737 /nfs/dbraw/zinc/29/77/37/569297737.db2.gz HDLUVXHFMAGMRX-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN CCc1ccc(O)c(N=CC2=CC(=[NH+][N-]c3cccc(Br)c3)C=CC2=O)c1 ZINC000252607660 569297667 /nfs/dbraw/zinc/29/76/67/569297667.db2.gz HDONNSKTZIXDNM-UHFFFAOYSA-N 0 0 424.298 6.589 50 30 HKEARN CCc1ccccc1N=C1S/C(=C\c2cccs2)C(=O)N1c1ccccc1CC ZINC000252607789 569297683 /nfs/dbraw/zinc/29/76/83/569297683.db2.gz HEECLCCUGVKTAC-HNYZTYFESA-N 0 0 418.587 6.682 50 30 HKEARN CCc1ccccc1N=C1S/C(=C/c2cccs2)C(=O)N1c1ccccc1CC ZINC000252607790 569297741 /nfs/dbraw/zinc/29/77/41/569297741.db2.gz HEECLCCUGVKTAC-KGXUUABDSA-N 0 0 418.587 6.682 50 30 HKEARN Oc1cc(N=Cc2cccc(-c3ccccc3)c2O)ccc1-c1nc2ccccc2o1 ZINC000252608103 569297787 /nfs/dbraw/zinc/29/77/87/569297787.db2.gz HGIOLTRJSHPABA-UHFFFAOYSA-N 0 0 406.441 6.324 50 30 HKEARN FC(F)(F)c1ccccc1N=Cc1cccc(C=Nc2ccccc2C(F)(F)F)c1 ZINC000252608158 569297831 /nfs/dbraw/zinc/29/78/31/569297831.db2.gz HHKLRANLRWGSNY-UHFFFAOYSA-N 0 0 420.356 7.225 50 30 HKEARN Cc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252609048 569298089 /nfs/dbraw/zinc/29/80/89/569298089.db2.gz HQBJGKQETUVJFM-IBORXNHRSA-N 0 0 400.503 5.818 50 30 HKEARN Cc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252609049 569298024 /nfs/dbraw/zinc/29/80/24/569298024.db2.gz HQBJGKQETUVJFM-LAJNNLEESA-N 0 0 400.503 5.818 50 30 HKEARN CCn1ncc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C)C3)c1C ZINC000252609096 569298120 /nfs/dbraw/zinc/29/81/20/569298120.db2.gz HQKGCSBUOCUTOL-HNNXBMFYSA-N 0 0 412.603 5.211 50 30 HKEARN CCn1ncc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)c1C ZINC000252609099 569298029 /nfs/dbraw/zinc/29/80/29/569298029.db2.gz HQKGCSBUOCUTOL-OAHLLOKOSA-N 0 0 412.603 5.211 50 30 HKEARN CC(C)Oc1ccc(Br)cc1C=Nc1c(-c2ccco2)nc2ccccn21 ZINC000252609274 569298121 /nfs/dbraw/zinc/29/81/21/569298121.db2.gz HQRNIXDUOLEAEK-UHFFFAOYSA-N 0 0 424.298 5.895 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252609279 569298023 /nfs/dbraw/zinc/29/80/23/569298023.db2.gz HQSKGVKEVMMSIX-IRZHRRCCSA-N 0 0 410.539 5.416 50 30 HKEARN CN(Cc1ccccc1)CN1c2ccccc2C(=Nc2cccc(C(F)(F)F)c2)C1=O ZINC000252609342 569298153 /nfs/dbraw/zinc/29/81/53/569298153.db2.gz HRYOPRHJQMODSE-UHFFFAOYSA-N 0 0 423.438 5.262 50 30 HKEARN Cc1ccc2oc(-c3ccc(N=Cc4cccc(-c5ccccc5)c4O)cc3)nc2c1 ZINC000252609343 569298232 /nfs/dbraw/zinc/29/82/32/569298232.db2.gz HRZQGPGURSBFRC-UHFFFAOYSA-N 0 0 404.469 6.926 50 30 HKEARN CC(C)(C)c1cc(C=NN(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O ZINC000252609553 569298217 /nfs/dbraw/zinc/29/82/17/569298217.db2.gz HULUWDWYYIYWIY-UHFFFAOYSA-N 0 0 400.566 7.159 50 30 HKEARN Cc1ccc2oc(-c3ccc(N=Cc4c(O)cc(C)c(Cl)c4C)c(C)c3)nc2c1 ZINC000252610581 569298158 /nfs/dbraw/zinc/29/81/58/569298158.db2.gz ICWMMUTWUCVMMQ-UHFFFAOYSA-N 0 0 404.897 6.838 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1 ZINC000252610835 569300142 /nfs/dbraw/zinc/30/01/42/569300142.db2.gz IECHIKMUNXGIAR-NXZXOXKRSA-N 0 0 408.523 5.274 50 30 HKEARN Fc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000252610848 569300316 /nfs/dbraw/zinc/30/03/16/569300316.db2.gz IENPFFXERHRGCN-MUUNZHRXSA-N 0 0 419.503 6.932 50 30 HKEARN Fc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000252610849 569300288 /nfs/dbraw/zinc/30/02/88/569300288.db2.gz IENPFFXERHRGCN-NDEPHWFRSA-N 0 0 419.503 6.932 50 30 HKEARN Cc1ccc(N=C2S/C(=C\c3ccc(Br)cc3)C(=O)N2C)cc1C ZINC000252610878 569300321 /nfs/dbraw/zinc/30/03/21/569300321.db2.gz IFHMQQVQHQUZLT-RZZJTRJGSA-N 0 0 401.329 5.300 50 30 HKEARN Cc1ccc(N=C2S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1C ZINC000252610879 569300303 /nfs/dbraw/zinc/30/03/03/569300303.db2.gz IFHMQQVQHQUZLT-XADZQOGUSA-N 0 0 401.329 5.300 50 30 HKEARN CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccc(OC)cc1 ZINC000252611004 569300302 /nfs/dbraw/zinc/30/03/02/569300302.db2.gz IFUIOHLYZKLEOY-RTPXDPCMSA-N 0 0 405.523 5.043 50 30 HKEARN FC(F)(F)c1cccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)c1 ZINC000252611342 569300318 /nfs/dbraw/zinc/30/03/18/569300318.db2.gz IJCKAWVUPHXLAP-UHFFFAOYSA-N 0 0 409.371 5.263 50 30 HKEARN 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 ZINC000252611550 569372313 /nfs/dbraw/zinc/37/23/13/569372313.db2.gz IKSAIBRTZFZGMG-ZFHLFDPRSA-N 0 0 408.586 5.098 50 30 biogenic HKEARN CCN(CC)c1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000252611740 569300390 /nfs/dbraw/zinc/30/03/90/569300390.db2.gz IMPFJZSXUZTNET-UHFFFAOYSA-N 0 0 422.536 5.498 50 30 HKEARN Clc1ccc2nc(N=NCc3ccc4c(c3)OCO4)cc(-c3ccccc3)c2c1 ZINC000252611901 569300393 /nfs/dbraw/zinc/30/03/93/569300393.db2.gz IOEQZTBSFHQGLI-UHFFFAOYSA-N 0 0 401.853 5.730 50 30 HKEARN Fc1ccc(-c2nc3cc(N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000252612246 569300401 /nfs/dbraw/zinc/30/04/01/569300401.db2.gz IQTZLQKVMBBQOV-MOTOTAFCSA-N 0 0 411.263 7.356 50 30 HKEARN Fc1ccc(-c2nc3cc(N=C/C=C\c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000252612247 569300419 /nfs/dbraw/zinc/30/04/19/569300419.db2.gz IQTZLQKVMBBQOV-ODIYWHKJSA-N 0 0 411.263 7.356 50 30 HKEARN C=CCOc1ccccc1/C=C1/SC(=Nc2ccccc2)N(C2CCCCC2)C1=O ZINC000252612280 569300562 /nfs/dbraw/zinc/30/05/62/569300562.db2.gz IRNWQTKJWBYJPT-MFIIUBNGSA-N 0 0 418.562 6.188 50 30 HKEARN C=CCOc1ccccc1/C=C1\SC(=Nc2ccccc2)N(C2CCCCC2)C1=O ZINC000252612281 569300580 /nfs/dbraw/zinc/30/05/80/569300580.db2.gz IRNWQTKJWBYJPT-YJMOJNCUSA-N 0 0 418.562 6.188 50 30 HKEARN O=[N+]([O-])c1ccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000252612395 569300396 /nfs/dbraw/zinc/30/03/96/569300396.db2.gz IRXDDUHAPDEDOX-UHFFFAOYSA-N 0 0 422.238 5.916 50 30 HKEARN CC(=NN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc(Br)cc1 ZINC000252612427 569300447 /nfs/dbraw/zinc/30/04/47/569300447.db2.gz ISVBOTTXJUZANY-UHFFFAOYSA-N 0 0 422.370 5.144 50 30 HKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(N=Cc3ccc4c(c3)OCO4)cc2)cc1 ZINC000252612443 569300392 /nfs/dbraw/zinc/30/03/92/569300392.db2.gz ITHHAMXFKSCSDS-UHFFFAOYSA-N 0 0 401.462 5.683 50 30 HKEARN CCOc1ccc(C=Nc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000252612482 569300397 /nfs/dbraw/zinc/30/03/97/569300397.db2.gz IUFDVYMHARYTKO-UHFFFAOYSA-N 0 0 421.565 7.481 50 30 HKEARN COc1ccc(C=Nc2nc3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 ZINC000252612746 569300577 /nfs/dbraw/zinc/30/05/77/569300577.db2.gz IVLHKYFOQWHBKG-UHFFFAOYSA-N 0 0 421.500 6.006 50 30 HKEARN CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=Nc1cccc(Cl)c1C ZINC000252612899 569300526 /nfs/dbraw/zinc/30/05/26/569300526.db2.gz IWVIQXMFDFULAV-OTHHCBNDSA-N 0 0 407.322 5.631 50 30 HKEARN CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=Nc1cccc(Cl)c1C ZINC000252612900 569300578 /nfs/dbraw/zinc/30/05/78/569300578.db2.gz IWVIQXMFDFULAV-YNQUSLBMSA-N 0 0 407.322 5.631 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2ccc(N=Nc3ccccc3)cc2)ccc1Br ZINC000252612917 569300556 /nfs/dbraw/zinc/30/05/56/569300556.db2.gz IXCSNGRKMSOMNA-UHFFFAOYSA-N 0 0 409.243 6.523 50 30 HKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1 ZINC000252612945 569300707 /nfs/dbraw/zinc/30/07/07/569300707.db2.gz IXNGZRCWYHLWFJ-GSKQFGKRSA-N 0 0 413.955 5.500 50 30 HKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccccc1 ZINC000252612946 569300694 /nfs/dbraw/zinc/30/06/94/569300694.db2.gz IXNGZRCWYHLWFJ-QCRKUUAFSA-N 0 0 413.955 5.500 50 30 HKEARN O=C(Nc1ccc(N=Cc2c3ccccc3cc3ccccc32)cc1)c1ccc(F)cc1 ZINC000252613110 569300856 /nfs/dbraw/zinc/30/08/56/569300856.db2.gz IYMPORVCFVRXAH-UHFFFAOYSA-N 0 0 418.471 7.135 50 30 HKEARN O=C1/C(=C\c2ccccc2Cl)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252613895 569300987 /nfs/dbraw/zinc/30/09/87/569300987.db2.gz JEIJASCQJQMZKP-PYYWQZPNSA-N 0 0 404.922 6.144 50 30 HKEARN O=C1/C(=C/c2ccccc2Cl)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252613896 569301021 /nfs/dbraw/zinc/30/10/21/569301021.db2.gz JEIJASCQJQMZKP-XOLKAKTPSA-N 0 0 404.922 6.144 50 30 HKEARN CCCCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)SC1=Nc1ccccc1 ZINC000252614277 569300998 /nfs/dbraw/zinc/30/09/98/569300998.db2.gz JIHNQZZPIPWWAC-FQEVSTJZSA-N 0 0 423.582 5.372 50 30 HKEARN CCCCN1C(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)SC1=Nc1ccccc1 ZINC000252614278 569301092 /nfs/dbraw/zinc/30/10/92/569301092.db2.gz JIHNQZZPIPWWAC-HXUWFJFHSA-N 0 0 423.582 5.372 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000252614476 569301272 /nfs/dbraw/zinc/30/12/72/569301272.db2.gz JKANPCXASWRTNW-DJBTXWDTSA-N 0 0 417.852 6.781 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000252614477 569301202 /nfs/dbraw/zinc/30/12/02/569301202.db2.gz JKANPCXASWRTNW-SPTIIUGZSA-N 0 0 417.852 6.781 50 30 HKEARN C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000252614480 569301308 /nfs/dbraw/zinc/30/13/08/569301308.db2.gz JKBLLWPMCPUSPG-UHFFFAOYSA-N 0 0 409.470 6.957 50 30 HKEARN O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000252614943 569301264 /nfs/dbraw/zinc/30/12/64/569301264.db2.gz JNUYZMHHDDUGLE-UHFFFAOYSA-N 0 0 409.401 6.012 50 30 HKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000252615088 569301284 /nfs/dbraw/zinc/30/12/84/569301284.db2.gz JOQJOZDECZXVIT-IBORXNHRSA-N 0 0 422.550 5.641 50 30 HKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000252615089 569301267 /nfs/dbraw/zinc/30/12/67/569301267.db2.gz JOQJOZDECZXVIT-LAJNNLEESA-N 0 0 422.550 5.641 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc(C)cc(Br)c4O)c3)nc2c1 ZINC000252615165 569301223 /nfs/dbraw/zinc/30/12/23/569301223.db2.gz JPXQCHYPTRBXMZ-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1cc2nc(-c3ccc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)cc3)oc2c(C)c1 ZINC000252615624 569301269 /nfs/dbraw/zinc/30/12/69/569301269.db2.gz JTSUTPTWUAVHHB-UHFFFAOYSA-N 0 0 415.405 5.499 50 30 HKEARN C(=Nc1c(-c2ccco2)nc2ccccn21)c1cn(Cc2ccccc2)c2ccccc12 ZINC000252615637 569301219 /nfs/dbraw/zinc/30/12/19/569301219.db2.gz JUBBTURZTXMENH-UHFFFAOYSA-N 0 0 416.484 6.348 50 30 HKEARN COc1cc(Br)cc(C=Nc2cccc(-c3nc4ncccc4o3)c2)c1O ZINC000252615796 569301207 /nfs/dbraw/zinc/30/12/07/569301207.db2.gz JUZHMUCBQSKXFC-UHFFFAOYSA-N 0 0 424.254 5.117 50 30 HKEARN CCCCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCC)C2=O)cc1OC ZINC000252616454 569301346 /nfs/dbraw/zinc/30/13/46/569301346.db2.gz KASCGXRAVPMECK-OUUDUQSLSA-N 0 0 424.566 5.888 50 30 HKEARN CCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCC)C2=O)cc1OC ZINC000252616457 569301404 /nfs/dbraw/zinc/30/14/04/569301404.db2.gz KASCGXRAVPMECK-ZINKLTMQSA-N 0 0 424.566 5.888 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000252616597 569301326 /nfs/dbraw/zinc/30/13/26/569301326.db2.gz KBMZOXKIZJPBLX-PCZIDNTRSA-N 0 0 403.825 6.472 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000252616598 569301331 /nfs/dbraw/zinc/30/13/31/569301331.db2.gz KBMZOXKIZJPBLX-WTAGINGOSA-N 0 0 403.825 6.472 50 30 HKEARN O=C1/C(=C/c2ccco2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000252616726 569301368 /nfs/dbraw/zinc/30/13/68/569301368.db2.gz KEIBORGGPVJFFY-DRIWLZCMSA-N 0 0 413.502 5.608 50 30 HKEARN CC(=C/c1ccccc1)/C=C1\SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000252616753 569301471 /nfs/dbraw/zinc/30/14/71/569301471.db2.gz KEUVMSDVXCFRSC-FHEJAEJJSA-N 0 0 424.569 7.058 50 30 HKEARN CC(/C=C1/SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O)=C/c1ccccc1 ZINC000252616754 569301466 /nfs/dbraw/zinc/30/14/66/569301466.db2.gz KEUVMSDVXCFRSC-RHFFIAFASA-N 0 0 424.569 7.058 50 30 HKEARN CC(=C\c1ccccc1)/C=C1/SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000252616755 569301444 /nfs/dbraw/zinc/30/14/44/569301444.db2.gz KEUVMSDVXCFRSC-VGEFFDHNSA-N 0 0 424.569 7.058 50 30 HKEARN CC(=C\c1ccccc1)/C=C1\SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000252616756 569301436 /nfs/dbraw/zinc/30/14/36/569301436.db2.gz KEUVMSDVXCFRSC-YJHJSVRNSA-N 0 0 424.569 7.058 50 30 HKEARN Cc1cccc(N=C2S/C(=C/c3ccc(O)c(O)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000252616801 569301454 /nfs/dbraw/zinc/30/14/54/569301454.db2.gz KFQKPJRUWJORNB-APPGCKKWSA-N 0 0 416.502 5.523 50 30 HKEARN Cc1cccc(N=C2S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000252616802 569301488 /nfs/dbraw/zinc/30/14/88/569301488.db2.gz KFQKPJRUWJORNB-OJVQYLDISA-N 0 0 416.502 5.523 50 30 HKEARN O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4cc(Cl)ccc4o3)cc1)OCO2 ZINC000252616855 569301435 /nfs/dbraw/zinc/30/14/35/569301435.db2.gz KHDATCLTSFACJP-UHFFFAOYSA-N 0 0 421.796 5.536 50 30 HKEARN CCCCCCCCOc1ccc(N=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000252616915 569301601 /nfs/dbraw/zinc/30/16/01/569301601.db2.gz KIKRTEQLPSWZNG-UHFFFAOYSA-N 0 0 423.557 6.685 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 ZINC000252616958 569301588 /nfs/dbraw/zinc/30/15/88/569301588.db2.gz KJMGHVJCZAEFNB-UHFFFAOYSA-N 0 0 412.876 7.467 50 30 HKEARN Cc1cccc(-c2nc3cc(N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000252617012 569301556 /nfs/dbraw/zinc/30/15/56/569301556.db2.gz KKKQBPZCTCRQSD-IIVAOJHKSA-N 0 0 407.300 7.526 50 30 HKEARN Cc1cccc(-c2nc3cc(N=C/C=C\c4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000252617013 569301584 /nfs/dbraw/zinc/30/15/84/569301584.db2.gz KKKQBPZCTCRQSD-KDNMJAALSA-N 0 0 407.300 7.526 50 30 HKEARN CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000252617100 569301560 /nfs/dbraw/zinc/30/15/60/569301560.db2.gz KMFNQTFYWBRRPX-UHFFFAOYSA-N 0 0 409.493 5.028 50 30 HKEARN Cc1cccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000252617172 569301541 /nfs/dbraw/zinc/30/15/41/569301541.db2.gz KNOUUNMDVWYQCP-UHFFFAOYSA-N 0 0 407.267 6.022 50 30 HKEARN Cc1c(C(C)N=Nc2nc(-c3ccccc3)cs2)sc2nc3ccccc3n12 ZINC000252617178 569301607 /nfs/dbraw/zinc/30/16/07/569301607.db2.gz KNSZKHVKDWRRHS-UHFFFAOYSA-N 0 0 403.536 5.817 50 30 HKEARN COc1ccc(C=NNc2ccc3ccccc3c2)cc1COc1ccc(Cl)cc1 ZINC000252617186 569301549 /nfs/dbraw/zinc/30/15/49/569301549.db2.gz KNYNQPNAEQLHIC-UHFFFAOYSA-N 0 0 416.908 6.527 50 30 HKEARN CN(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000252617396 569301563 /nfs/dbraw/zinc/30/15/63/569301563.db2.gz KRYNRGNGULVGHD-OUUDUQSLSA-N 0 0 405.567 5.689 50 30 HKEARN CN(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000252617397 569301583 /nfs/dbraw/zinc/30/15/83/569301583.db2.gz KRYNRGNGULVGHD-ZINKLTMQSA-N 0 0 405.567 5.689 50 30 HKEARN Cc1cc(C)cc(-c2nc3cc(N=Cc4cc(Br)ccc4O)ccc3o2)c1 ZINC000252617530 569301720 /nfs/dbraw/zinc/30/17/20/569301720.db2.gz KUZIMWYRORLGOF-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN CN(C)c1ccc(C=NN=C2CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 ZINC000252617587 569301672 /nfs/dbraw/zinc/30/16/72/569301672.db2.gz KWNDTOQDJITUJS-IVZWOYQGSA-N 0 0 419.657 6.960 50 30 HKEARN CN(C)c1ccc(C=NN=C2CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 ZINC000252617588 569301682 /nfs/dbraw/zinc/30/16/82/569301682.db2.gz KWNDTOQDJITUJS-TWIPYIESSA-N 0 0 419.657 6.960 50 30 HKEARN O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccccc1)C(=O)c1ccccc1 ZINC000252617677 569301609 /nfs/dbraw/zinc/30/16/09/569301609.db2.gz KYFHFSDDSSLPNX-UHFFFAOYSA-N 0 0 412.276 5.283 50 30 HKEARN Oc1ccc(Cc2ccccc2)cc1C=Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000252617740 569301727 /nfs/dbraw/zinc/30/17/27/569301727.db2.gz KZEIIGANORVYOA-UHFFFAOYSA-N 0 0 422.459 6.681 50 30 HKEARN COc1ccc(N=C2S/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)N2C)cc1 ZINC000252617875 569301973 /nfs/dbraw/zinc/30/19/73/569301973.db2.gz LAFQKAYRHMEHRU-NPPZMEKISA-N 0 0 422.531 5.673 50 30 HKEARN COc1ccc(N=C2S/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)N2C)cc1 ZINC000252617876 569302062 /nfs/dbraw/zinc/30/20/62/569302062.db2.gz LAFQKAYRHMEHRU-VUARGGTQSA-N 0 0 422.531 5.673 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252617879 569301712 /nfs/dbraw/zinc/30/17/12/569301712.db2.gz LAGLAQPTJJVXCW-CUVVSLBBSA-N 0 0 416.930 5.458 50 30 HKEARN CCCN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252617880 569301668 /nfs/dbraw/zinc/30/16/68/569301668.db2.gz LAGLAQPTJJVXCW-RPDORSEYSA-N 0 0 416.930 5.458 50 30 HKEARN CCc1ccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000252617887 569301744 /nfs/dbraw/zinc/30/17/44/569301744.db2.gz LAKZQTVFEBEDLI-MXBLQMGQSA-N 0 0 416.590 6.742 50 30 HKEARN CCOc1ccc(N=C2S/C(=C\c3ccc(OC)c(Cl)c3)C(=O)N2CC)cc1 ZINC000252617893 569301765 /nfs/dbraw/zinc/30/17/65/569301765.db2.gz LARFQDQWNVVASF-CUVVSLBBSA-N 0 0 416.930 5.371 50 30 HKEARN CCOc1ccc(N=C2S/C(=C/c3ccc(OC)c(Cl)c3)C(=O)N2CC)cc1 ZINC000252617894 569301737 /nfs/dbraw/zinc/30/17/37/569301737.db2.gz LARFQDQWNVVASF-RPDORSEYSA-N 0 0 416.930 5.371 50 30 HKEARN CCOc1cc(C=Nc2oc(C)c(C)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000252618471 569302525 /nfs/dbraw/zinc/30/25/25/569302525.db2.gz LHSBYMWYOATDIQ-UHFFFAOYSA-N 0 0 419.437 5.405 50 30 HKEARN Cn1c2ccccc2nc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000252618952 569302642 /nfs/dbraw/zinc/30/26/42/569302642.db2.gz LLGMBRWHGXMAME-UHFFFAOYSA-N 0 0 404.477 5.143 50 30 HKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000252619122 569302693 /nfs/dbraw/zinc/30/26/93/569302693.db2.gz LMUSQXHUEFHWAW-HNYZTYFESA-N 0 0 400.503 5.499 50 30 HKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000252619123 569302699 /nfs/dbraw/zinc/30/26/99/569302699.db2.gz LMUSQXHUEFHWAW-KGXUUABDSA-N 0 0 400.503 5.499 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4cccc(-c5ccccc5)c4O)cc3)sc2c1 ZINC000252619128 569302741 /nfs/dbraw/zinc/30/27/41/569302741.db2.gz LMXZVEXYZINABF-UHFFFAOYSA-N 0 0 420.537 7.395 50 30 HKEARN C=CCOc1cc(Br)c(C=NNc2ccc(Cl)cc2)cc1OCC ZINC000252619170 569302749 /nfs/dbraw/zinc/30/27/49/569302749.db2.gz LNVDYMRMFXMCNU-UHFFFAOYSA-N 0 0 409.711 5.512 50 30 HKEARN CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=Nc1cccc(Cl)c1C ZINC000252619601 569303074 /nfs/dbraw/zinc/30/30/74/569303074.db2.gz LQTXIAPZNHLECY-AQEWOIMGSA-N 0 0 414.914 5.059 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=Nc1cccc(Cl)c1C ZINC000252619602 569303066 /nfs/dbraw/zinc/30/30/66/569303066.db2.gz LQTXIAPZNHLECY-OKZFSLEBSA-N 0 0 414.914 5.059 50 30 HKEARN CC1=C[C@@](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 ZINC000252619666 569303464 /nfs/dbraw/zinc/30/34/64/569303464.db2.gz LSKQOMPXJBWBDX-FQEVSTJZSA-N 0 0 412.471 5.562 50 30 HKEARN CC1=C[C@](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 ZINC000252619667 569303469 /nfs/dbraw/zinc/30/34/69/569303469.db2.gz LSKQOMPXJBWBDX-HXUWFJFHSA-N 0 0 412.471 5.562 50 30 HKEARN COc1ccc(N2C(SC)=NC(=Nc3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000252619672 569303470 /nfs/dbraw/zinc/30/34/70/569303470.db2.gz LSMAKKGBKKZTLO-UHFFFAOYSA-N 0 0 413.974 6.321 50 30 HKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000252619839 569303609 /nfs/dbraw/zinc/30/36/09/569303609.db2.gz LSTKEPUYCJGILS-HNYZTYFESA-N 0 0 416.502 5.512 50 30 HKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000252619840 569303608 /nfs/dbraw/zinc/30/36/08/569303608.db2.gz LSTKEPUYCJGILS-KGXUUABDSA-N 0 0 416.502 5.512 50 30 HKEARN CCn1c2ccccc2c2cc(C=Nc3ccc([N+](=O)[O-])cc3Br)ccc21 ZINC000252619862 569303559 /nfs/dbraw/zinc/30/35/59/569303559.db2.gz LTHHYGLXQLQMMU-UHFFFAOYSA-N 0 0 422.282 6.236 50 30 HKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1ncc(-c3ccc(Br)cc3)s1)C2 ZINC000252619873 569303897 /nfs/dbraw/zinc/30/38/97/569303897.db2.gz LTKMYEXVQANHLA-ORAYPTAESA-N 0 0 404.377 6.187 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4cc(Br)ccc4O)cc3O)oc2c1 ZINC000252619893 569303851 /nfs/dbraw/zinc/30/38/51/569303851.db2.gz LTSUKKPIHUMEGG-UHFFFAOYSA-N 0 0 423.266 5.728 50 30 HKEARN CCc1ccc2oc(-c3cc(N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000252619895 569303846 /nfs/dbraw/zinc/30/38/46/569303846.db2.gz LTTKHXRRIPMKNL-DJBTXWDTSA-N 0 0 413.433 6.087 50 30 HKEARN CCc1ccc2oc(-c3cc(N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000252619896 569303855 /nfs/dbraw/zinc/30/38/55/569303855.db2.gz LTTKHXRRIPMKNL-SPTIIUGZSA-N 0 0 413.433 6.087 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252620011 569304002 /nfs/dbraw/zinc/30/40/02/569304002.db2.gz LVYGYHKQJHFGNS-LDGUJILYSA-N 0 0 413.646 7.037 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252620012 569304089 /nfs/dbraw/zinc/30/40/89/569304089.db2.gz LVYGYHKQJHFGNS-UIHVHFGTSA-N 0 0 413.646 7.037 50 30 HKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(N=Cc3ccc(-c4cccs4)s3)sc2C1 ZINC000252620113 569304137 /nfs/dbraw/zinc/30/41/37/569304137.db2.gz LXOBOGJXJLGNRK-AWEZNQCLSA-N 0 0 410.633 7.311 50 30 HKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(N=Cc3ccc(-c4cccs4)s3)sc2C1 ZINC000252620114 569303921 /nfs/dbraw/zinc/30/39/21/569303921.db2.gz LXOBOGJXJLGNRK-CQSZACIVSA-N 0 0 410.633 7.311 50 30 HKEARN CC(=NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc2ccccc21 ZINC000252620374 569304328 /nfs/dbraw/zinc/30/43/28/569304328.db2.gz MCWATPXYPUZPSC-UHFFFAOYSA-N 0 0 411.486 5.906 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3C)nc2c1 ZINC000252620451 569304299 /nfs/dbraw/zinc/30/42/99/569304299.db2.gz MEJISHGLLIWGEW-UHFFFAOYSA-N 0 0 415.405 5.499 50 30 HKEARN C(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000252620538 569304322 /nfs/dbraw/zinc/30/43/22/569304322.db2.gz MGBGHOVQTPJKHD-FTTRJGAUSA-N 0 0 407.481 5.470 50 30 HKEARN C(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000252620539 569304335 /nfs/dbraw/zinc/30/43/35/569304335.db2.gz MGBGHOVQTPJKHD-YUNWXZFCSA-N 0 0 407.481 5.470 50 30 HKEARN C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2cccc3cccnc32)o1 ZINC000252620557 569304460 /nfs/dbraw/zinc/30/44/60/569304460.db2.gz MGQNTOPFGJLXRG-UHFFFAOYSA-N 0 0 420.493 7.629 50 30 HKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000252620760 569304568 /nfs/dbraw/zinc/30/45/68/569304568.db2.gz MLPOEUHNBFYCTM-AQAUNXFGSA-N 0 0 416.502 5.205 50 30 HKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000252620761 569237318 /nfs/dbraw/zinc/23/73/18/569237318.db2.gz MLPOEUHNBFYCTM-QGJBXVFPSA-N 0 0 416.502 5.205 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1c(O)ccc2ccccc21 ZINC000252620795 569307544 /nfs/dbraw/zinc/30/75/44/569307544.db2.gz MMGJGYSZNXSKBH-UHFFFAOYSA-N 0 0 412.876 7.066 50 30 HKEARN CCc1cccc(C)c1NN=Cc1cc2cc(C(=O)OC)n(Cc3ccccc3)c2o1 ZINC000252621464 569307772 /nfs/dbraw/zinc/30/77/72/569307772.db2.gz MYZVODBJWXXPTL-UHFFFAOYSA-N 0 0 415.493 5.386 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C)cc1 ZINC000252621563 569307639 /nfs/dbraw/zinc/30/76/39/569307639.db2.gz NBNBRZYWRRWMFA-NRFANRHFSA-N 0 0 421.566 5.265 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C)cc1 ZINC000252621564 569307651 /nfs/dbraw/zinc/30/76/51/569307651.db2.gz NBNBRZYWRRWMFA-OAQYLSRUSA-N 0 0 421.566 5.265 50 30 HKEARN Cc1ccc2oc(-c3ccc(N=Cc4cc(C)cc(Br)c4O)cc3)nc2c1 ZINC000252621599 569307683 /nfs/dbraw/zinc/30/76/83/569307683.db2.gz NCLSVOXSOWKJIS-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)oc2c1 ZINC000252621618 569307688 /nfs/dbraw/zinc/30/76/88/569307688.db2.gz NCXMRKVPRGIIDE-UHFFFAOYSA-N 0 0 423.428 6.722 50 30 HKEARN Cc1cc(-c2ccc(N=Cc3ccc(F)cc3)c(C)c2)ccc1N=Cc1ccc(F)cc1 ZINC000252621629 569307664 /nfs/dbraw/zinc/30/76/64/569307664.db2.gz NDFJPMJGNWNFSK-UHFFFAOYSA-N 0 0 424.494 7.750 50 30 HKEARN CC(C)Oc1ccc(Br)cc1C=Nc1sc2c(c1C#N)CCCC2 ZINC000252621637 569307689 /nfs/dbraw/zinc/30/76/89/569307689.db2.gz NDNKNSMDPDFLCV-UHFFFAOYSA-N 0 0 403.345 5.799 50 30 HKEARN Fc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000252621708 569307674 /nfs/dbraw/zinc/30/76/74/569307674.db2.gz NFCPPWSRHZPSNU-UHFFFAOYSA-N 0 0 421.273 5.644 50 30 HKEARN CC(=O)Oc1cccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000252621780 569307851 /nfs/dbraw/zinc/30/78/51/569307851.db2.gz NGQNVNYQDYPVIQ-HNYZTYFESA-N 0 0 414.486 5.421 50 30 HKEARN CC(=O)Oc1cccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000252621781 569307914 /nfs/dbraw/zinc/30/79/14/569307914.db2.gz NGQNVNYQDYPVIQ-KGXUUABDSA-N 0 0 414.486 5.421 50 30 HKEARN CCn1c2ccccc2c2cc(N=Cc3ccc(OC(=O)c4ccco4)cc3)ccc21 ZINC000252621999 569307823 /nfs/dbraw/zinc/30/78/23/569307823.db2.gz NMDKHECYFBUYHC-UHFFFAOYSA-N 0 0 408.457 6.377 50 30 HKEARN CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 ZINC000252622143 569307916 /nfs/dbraw/zinc/30/79/16/569307916.db2.gz NPTIUJHQTGWUKR-NRFANRHFSA-N 0 0 423.582 5.407 50 30 HKEARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C(C)C)cc1 ZINC000252622144 569307871 /nfs/dbraw/zinc/30/78/71/569307871.db2.gz NPTIUJHQTGWUKR-OAQYLSRUSA-N 0 0 423.582 5.407 50 30 HKEARN Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc(Br)ccc4O)c3)oc2c1 ZINC000252622286 569307946 /nfs/dbraw/zinc/30/79/46/569307946.db2.gz NRPRAKQFKHPVLB-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(Nc2ccccc2)c1 ZINC000252622389 569307973 /nfs/dbraw/zinc/30/79/73/569307973.db2.gz NULFPLWZWCMNEI-UHFFFAOYSA-N 0 0 417.472 5.867 50 30 HKEARN CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(C(=NO)c3ccccc3)cc1)=NO2 ZINC000252622431 569307942 /nfs/dbraw/zinc/30/79/42/569307942.db2.gz NVCYUNMMNBNLNT-AREMUKBSSA-N 0 0 411.505 5.162 50 30 HKEARN CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(C(=NO)c3ccccc3)cc1)=NO2 ZINC000252622432 569307975 /nfs/dbraw/zinc/30/79/75/569307975.db2.gz NVCYUNMMNBNLNT-SANMLTNESA-N 0 0 411.505 5.162 50 30 HKEARN Cc1ccccc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000252622495 569308017 /nfs/dbraw/zinc/30/80/17/569308017.db2.gz NWNXCHMFFPXDJV-GDLZYMKVSA-N 0 0 415.540 7.101 50 30 HKEARN Cc1ccccc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000252622496 569307921 /nfs/dbraw/zinc/30/79/21/569307921.db2.gz NWNXCHMFFPXDJV-LJAQVGFWSA-N 0 0 415.540 7.101 50 30 HKEARN Oc1ccc(Br)cc1C=Nc1ccc(OCC(F)(F)C(F)F)cc1 ZINC000252622564 569307995 /nfs/dbraw/zinc/30/79/95/569307995.db2.gz NYDJDWTXVLHYDB-UHFFFAOYSA-N 0 0 406.173 5.185 50 30 HKEARN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=Nc2ccccc2F)N1C1CCCCC1 ZINC000252622802 569308188 /nfs/dbraw/zinc/30/81/88/569308188.db2.gz ODAYAWQNTRHJKC-MBTIHVDPSA-N 0 0 419.525 6.244 50 30 HKEARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=Nc2ccccc2F)N1C1CCCCC1 ZINC000252622803 569308243 /nfs/dbraw/zinc/30/82/43/569308243.db2.gz ODAYAWQNTRHJKC-NEAWXCLQSA-N 0 0 419.525 6.244 50 30 HKEARN O=[N+]([O-])c1ccc(-c2ccc(C=Nc3cccc(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000252622910 569308222 /nfs/dbraw/zinc/30/82/22/569308222.db2.gz OFPSZUKMZUEZBY-UHFFFAOYSA-N 0 0 409.401 6.414 50 30 HKEARN Cc1cccc(C(=O)Nc2ccc(N=Cc3cc(Br)ccc3O)cc2)c1 ZINC000252623013 569308073 /nfs/dbraw/zinc/30/80/73/569308073.db2.gz OHYDWUFHUGFITJ-UHFFFAOYSA-N 0 0 409.283 5.466 50 30 HKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000252623118 569308358 /nfs/dbraw/zinc/30/83/58/569308358.db2.gz OKOJUWDCLMZHNF-UHFFFAOYSA-N 0 0 409.449 5.555 50 30 HKEARN CCOc1cc(C)c(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C ZINC000252623281 569308288 /nfs/dbraw/zinc/30/82/88/569308288.db2.gz ONXUNTPPNHVPDZ-WPCCGSCNSA-N 0 0 422.594 6.368 50 30 HKEARN CCOc1cc(C)c(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C ZINC000252623282 569308218 /nfs/dbraw/zinc/30/82/18/569308218.db2.gz ONXUNTPPNHVPDZ-YZWRYSEFSA-N 0 0 422.594 6.368 50 30 HKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Nc2sc3c(c2C#N)CCCC3)o1 ZINC000252623285 569308333 /nfs/dbraw/zinc/30/83/33/569308333.db2.gz ONYQOBOUKNHWRM-UHFFFAOYSA-N 0 0 405.479 6.034 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4cc5c(cc4Cl)OCO5)cc3)sc2c1 ZINC000252623594 569308362 /nfs/dbraw/zinc/30/83/62/569308362.db2.gz OUZUAHQCTRYUPN-UHFFFAOYSA-N 0 0 406.894 6.404 50 30 HKEARN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1OCC ZINC000252623684 569308317 /nfs/dbraw/zinc/30/83/17/569308317.db2.gz OXDSBZFHJSJVIM-CUVVSLBBSA-N 0 0 416.930 5.371 50 30 HKEARN CCOc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1OCC ZINC000252623685 569308341 /nfs/dbraw/zinc/30/83/41/569308341.db2.gz OXDSBZFHJSJVIM-RPDORSEYSA-N 0 0 416.930 5.371 50 30 HKEARN Cc1cccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000252623727 569308399 /nfs/dbraw/zinc/30/83/99/569308399.db2.gz OXXRQEJTBZLUJK-IBORXNHRSA-N 0 0 400.503 5.818 50 30 HKEARN Cc1cccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2cccc(C)c2)c1 ZINC000252623728 569308374 /nfs/dbraw/zinc/30/83/74/569308374.db2.gz OXXRQEJTBZLUJK-LAJNNLEESA-N 0 0 400.503 5.818 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)cc1Cl ZINC000252623809 569308582 /nfs/dbraw/zinc/30/85/82/569308582.db2.gz OZROZBHDTSYFCZ-CUVVSLBBSA-N 0 0 414.914 5.147 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(C)C2=O)cc1Cl ZINC000252623810 569308565 /nfs/dbraw/zinc/30/85/65/569308565.db2.gz OZROZBHDTSYFCZ-RPDORSEYSA-N 0 0 414.914 5.147 50 30 HKEARN Cc1ccc(N=C(C(=Nc2ccc(C)cc2)N2CCCCC2)N2CCCCC2)cc1 ZINC000252623903 569309141 /nfs/dbraw/zinc/30/91/41/569309141.db2.gz PBXSADRRKDYAQH-UHFFFAOYSA-N 0 0 402.586 6.035 50 30 HKEARN CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1N=Cc1ccccc1 ZINC000252624057 569309295 /nfs/dbraw/zinc/30/92/95/569309295.db2.gz PFFVHXVHHPUNSY-UHFFFAOYSA-N 0 0 418.504 5.242 50 30 HKEARN Cc1cccc2cc(CN=Nc3nc4cc(Cl)ccc4nc3Cl)c(Cl)nc12 ZINC000252624072 569309310 /nfs/dbraw/zinc/30/93/10/569309310.db2.gz PFOCNPOBDURLOR-UHFFFAOYSA-N 0 0 416.699 5.893 50 30 HKEARN Ic1cccc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000252624116 569309443 /nfs/dbraw/zinc/30/94/43/569309443.db2.gz PGRXLVFMYPOVIT-UHFFFAOYSA-N 0 0 424.241 5.850 50 30 HKEARN CCN(CC)c1ccc(C=Nc2c(C)c3ccc(N(CC)CC)cc3oc2=O)c(O)c1 ZINC000252624155 569309532 /nfs/dbraw/zinc/30/95/32/569309532.db2.gz PHPINWQYWMMFJS-UHFFFAOYSA-N 0 0 421.541 5.250 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2N=Cc2ccccc2Cl)cc1 ZINC000252624219 569309530 /nfs/dbraw/zinc/30/95/30/569309530.db2.gz PJGMCVIJEUZZJF-UHFFFAOYSA-N 0 0 401.941 6.786 50 30 HKEARN O=C(NCCc1ccccc1)c1c(N=C/C=C/c2ccccc2)sc2c1CCCC2 ZINC000252624278 569309439 /nfs/dbraw/zinc/30/94/39/569309439.db2.gz PKNQSGHYAFGADI-VZSTXTRFSA-N 0 0 414.574 6.015 50 30 HKEARN O=C(NCCc1ccccc1)c1c(N=C/C=C\c2ccccc2)sc2c1CCCC2 ZINC000252624279 569309459 /nfs/dbraw/zinc/30/94/59/569309459.db2.gz PKNQSGHYAFGADI-WMHUDQJRSA-N 0 0 414.574 6.015 50 30 HKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1C ZINC000252624436 569309511 /nfs/dbraw/zinc/30/95/11/569309511.db2.gz PNWQDEIYJUFPGI-DRIWLZCMSA-N 0 0 402.494 6.251 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(F)cc2)C(=O)N1c1ccccc1C ZINC000252624437 569309517 /nfs/dbraw/zinc/30/95/17/569309517.db2.gz PNWQDEIYJUFPGI-MUJYFGONSA-N 0 0 402.494 6.251 50 30 HKEARN Cc1ccc2nc(N=NCc3cccc(Br)c3)nc(-c3ccccc3)c2c1 ZINC000252624444 569309516 /nfs/dbraw/zinc/30/95/16/569309516.db2.gz POAYNDSQJNWOHW-UHFFFAOYSA-N 0 0 417.310 5.814 50 30 HKEARN C(=NN=C(C(=NN=Cc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000252624461 569309636 /nfs/dbraw/zinc/30/96/36/569309636.db2.gz POINJGXMPFZOEB-UHFFFAOYSA-N 0 0 414.512 6.033 50 30 HKEARN O=C1/C(=C/c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252624492 569309756 /nfs/dbraw/zinc/30/97/56/569309756.db2.gz POWIPSMHDSPLOB-VDJURDQESA-N 0 0 421.525 6.286 50 30 HKEARN O=C1/C(=C\c2cccn2-c2ccccc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252624493 569309738 /nfs/dbraw/zinc/30/97/38/569309738.db2.gz POWIPSMHDSPLOB-YUPKMSNSSA-N 0 0 421.525 6.286 50 30 HKEARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252624557 569309780 /nfs/dbraw/zinc/30/97/80/569309780.db2.gz PQOXYTIUTAYCKJ-COSNONQRSA-N 0 0 407.495 5.532 50 30 HKEARN C=CCSc1nc2ccc(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1 ZINC000252624637 569309676 /nfs/dbraw/zinc/30/96/76/569309676.db2.gz PSDYOMYPVMZXMC-UHFFFAOYSA-N 0 0 421.503 6.493 50 30 HKEARN Cc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(C3CCCCC3)C1=O)OCO2 ZINC000252624663 569309750 /nfs/dbraw/zinc/30/97/50/569309750.db2.gz PSOXVNDYIWEJIW-APPGCKKWSA-N 0 0 420.534 5.660 50 30 HKEARN Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C3CCCCC3)C1=O)OCO2 ZINC000252624664 569309747 /nfs/dbraw/zinc/30/97/47/569309747.db2.gz PSOXVNDYIWEJIW-OJVQYLDISA-N 0 0 420.534 5.660 50 30 HKEARN Cc1cc(Br)c(O)c(C=Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000252624738 569309757 /nfs/dbraw/zinc/30/97/57/569309757.db2.gz PUEIBADXJGGASE-UHFFFAOYSA-N 0 0 408.255 5.417 50 30 HKEARN O=[N+]([O-])c1cccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c1 ZINC000252624849 569309852 /nfs/dbraw/zinc/30/98/52/569309852.db2.gz PWLRATBJLZHMGG-UHFFFAOYSA-N 0 0 411.248 5.967 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2cccs2)c2cccs2)c([N+](=O)[O-])c1 ZINC000252624905 569309843 /nfs/dbraw/zinc/30/98/43/569309843.db2.gz PXWNEGDZRQSNND-DPBVBSMASA-N 0 0 400.441 5.156 50 30 HKEARN O=[N+]([O-])c1ccc(N=NC(=CCc2cccs2)c2cccs2)c([N+](=O)[O-])c1 ZINC000252624906 569309839 /nfs/dbraw/zinc/30/98/39/569309839.db2.gz PXWNEGDZRQSNND-PAKRPNIGSA-N 0 0 400.441 5.156 50 30 HKEARN COc1cccc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1O ZINC000252624971 569309865 /nfs/dbraw/zinc/30/98/65/569309865.db2.gz PZRRDDNKFBYWHG-UHFFFAOYSA-N 0 0 412.555 5.154 50 30 HKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(Br)cc1 ZINC000252624977 569309844 /nfs/dbraw/zinc/30/98/44/569309844.db2.gz PZWWIZNKMVLUHL-UHFFFAOYSA-N 0 0 421.342 5.779 50 30 HKEARN COc1ccc(Cl)cc1-n1c(C)cc(C=Nc2ccc(N3CCOCC3)cc2)c1C ZINC000252624991 569309857 /nfs/dbraw/zinc/30/98/57/569309857.db2.gz QAMODCQEFPNPLM-UHFFFAOYSA-N 0 0 423.944 5.343 50 30 HKEARN C=CCc1cccc(C=Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1O ZINC000252625385 569310318 /nfs/dbraw/zinc/31/03/18/569310318.db2.gz QIZNIBCKKWARSJ-UHFFFAOYSA-N 0 0 418.474 5.110 50 30 HKEARN CCC(=O)Oc1c(C=Nc2cc(C)ccc2C)c2c(cc1[N+](=O)[O-])oc1c2CCCC1 ZINC000252625396 569310324 /nfs/dbraw/zinc/31/03/24/569310324.db2.gz QJDCUDWZVYABFM-UHFFFAOYSA-N 0 0 420.465 5.903 50 30 HKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C(C)C)cc1 ZINC000252625431 569310300 /nfs/dbraw/zinc/31/03/00/569310300.db2.gz QJSCDOPGEURGPG-NRFANRHFSA-N 0 0 423.582 5.407 50 30 HKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C(C)C)cc1 ZINC000252625432 569310298 /nfs/dbraw/zinc/31/02/98/569310298.db2.gz QJSCDOPGEURGPG-OAQYLSRUSA-N 0 0 423.582 5.407 50 30 HKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000252625631 569310294 /nfs/dbraw/zinc/31/02/94/569310294.db2.gz QOCQLWJHTLTABP-IBORXNHRSA-N 0 0 416.502 5.205 50 30 HKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000252625632 569310327 /nfs/dbraw/zinc/31/03/27/569310327.db2.gz QOCQLWJHTLTABP-LAJNNLEESA-N 0 0 416.502 5.205 50 30 HKEARN Cc1nn(C)c(C)c1C=NN=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C ZINC000252625722 569310313 /nfs/dbraw/zinc/31/03/13/569310313.db2.gz QQBKZPLGKBYNRX-AFFJLAOCSA-N 0 0 404.558 5.074 50 30 HKEARN Cc1nn(C)c(C)c1C=NN=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000252625723 569310265 /nfs/dbraw/zinc/31/02/65/569310265.db2.gz QQBKZPLGKBYNRX-JIEYXDDVSA-N 0 0 404.558 5.074 50 30 HKEARN Cc1nn(C)c(C)c1C=NN=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000252625724 569310307 /nfs/dbraw/zinc/31/03/07/569310307.db2.gz QQBKZPLGKBYNRX-KWLZBDKBSA-N 0 0 404.558 5.074 50 30 HKEARN Cc1nn(C)c(C)c1C=NN=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000252625725 569310326 /nfs/dbraw/zinc/31/03/26/569310326.db2.gz QQBKZPLGKBYNRX-VLOWTAQSSA-N 0 0 404.558 5.074 50 30 HKEARN Fc1ccc(N=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000252625857 569310270 /nfs/dbraw/zinc/31/02/70/569310270.db2.gz QQQCFULEWUNLMN-UHFFFAOYSA-N 0 0 408.687 7.116 50 30 HKEARN CC(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252625919 569310308 /nfs/dbraw/zinc/31/03/08/569310308.db2.gz QSAXWXIANQUWCD-DNKROPNVSA-N 0 0 412.558 6.614 50 30 HKEARN CC(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252625920 569310303 /nfs/dbraw/zinc/31/03/03/569310303.db2.gz QSAXWXIANQUWCD-SIFMURAYSA-N 0 0 412.558 6.614 50 30 HKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Nc2sc3c(c2C#N)CCCC3)o1 ZINC000252626037 569310276 /nfs/dbraw/zinc/31/02/76/569310276.db2.gz QUWFOUHCMBMNPO-UHFFFAOYSA-N 0 0 407.451 5.426 50 30 HKEARN Cc1ccsc1C=Nc1ccc(-c2ccc(N=Cc3sccc3C)cc2)cc1 ZINC000252626067 569310374 /nfs/dbraw/zinc/31/03/74/569310374.db2.gz QVOOGTXOFMPPNT-UHFFFAOYSA-N 0 0 400.572 7.595 50 30 HKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000252626136 569310309 /nfs/dbraw/zinc/31/03/09/569310309.db2.gz QXHWQTXDXQAVEQ-MFIIUBNGSA-N 0 0 414.530 5.542 50 30 HKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000252626137 569310272 /nfs/dbraw/zinc/31/02/72/569310272.db2.gz QXHWQTXDXQAVEQ-YJMOJNCUSA-N 0 0 414.530 5.542 50 30 HKEARN COc1ccc(-c2nc3cc(N=Cc4cc(Br)ccc4O)ccc3o2)cc1 ZINC000252626195 569310545 /nfs/dbraw/zinc/31/05/45/569310545.db2.gz QYDCSEFSZADARP-UHFFFAOYSA-N 0 0 423.266 5.722 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@H]4C)nnc3c2c1 ZINC000252626202 569310440 /nfs/dbraw/zinc/31/04/40/569310440.db2.gz QYIMABHCVGWZOK-AYBZRNKSSA-N 0 0 402.546 5.621 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@@H]5C(=CCCC5(C)C)C[C@H]4C)nnc3c2c1 ZINC000252626203 569310415 /nfs/dbraw/zinc/31/04/15/569310415.db2.gz QYIMABHCVGWZOK-HHXXYDBFSA-N 0 0 402.546 5.621 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000252626204 569310427 /nfs/dbraw/zinc/31/04/27/569310427.db2.gz QYIMABHCVGWZOK-IEZWGBDMSA-N 0 0 402.546 5.621 50 30 HKEARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 ZINC000252626205 569310417 /nfs/dbraw/zinc/31/04/17/569310417.db2.gz QYIMABHCVGWZOK-VDZJLULYSA-N 0 0 402.546 5.621 50 30 HKEARN N#Cc1c2c(sc1N=Cc1ccc(-c3ccc(Br)cc3)o1)CCCC2 ZINC000252626294 569310579 /nfs/dbraw/zinc/31/05/79/569310579.db2.gz QZWYETDIHRZMDY-UHFFFAOYSA-N 0 0 411.324 6.272 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)ccc4O)c3C)nc2c1 ZINC000252626324 569310623 /nfs/dbraw/zinc/31/06/23/569310623.db2.gz RANLLDUTEGYXFD-UHFFFAOYSA-N 0 0 421.294 6.330 50 30 HKEARN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252626640 569310658 /nfs/dbraw/zinc/31/06/58/569310658.db2.gz RCKXWWFVLMRFGF-COSNONQRSA-N 0 0 401.447 5.403 50 30 HKEARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252626641 569310597 /nfs/dbraw/zinc/31/05/97/569310597.db2.gz RCKXWWFVLMRFGF-SPDSTVKKSA-N 0 0 401.447 5.403 50 30 HKEARN O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252626695 569310613 /nfs/dbraw/zinc/31/06/13/569310613.db2.gz RDUZMAKMZTYQLF-KAWQFOENSA-N 0 0 412.942 5.982 50 30 HKEARN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252626696 569310796 /nfs/dbraw/zinc/31/07/96/569310796.db2.gz RDUZMAKMZTYQLF-OMSSWJLUSA-N 0 0 412.942 5.982 50 30 HKEARN Cc1ccc(-c2nc3cc(N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1C ZINC000252626752 569310756 /nfs/dbraw/zinc/31/07/56/569310756.db2.gz REXQOKYKLUHDAH-JMIJWPLOSA-N 0 0 421.327 7.834 50 30 HKEARN Cc1ccc(-c2nc3cc(N=C/C=C\c4ccc(Cl)cc4Cl)ccc3o2)cc1C ZINC000252626753 569310769 /nfs/dbraw/zinc/31/07/69/569310769.db2.gz REXQOKYKLUHDAH-QYGQBBTCSA-N 0 0 421.327 7.834 50 30 HKEARN CN(N=Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000252626766 569310783 /nfs/dbraw/zinc/31/07/83/569310783.db2.gz RFJDHDPATDGBEF-UHFFFAOYSA-N 0 0 414.892 6.183 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C ZINC000252626868 569310766 /nfs/dbraw/zinc/31/07/66/569310766.db2.gz RHHWQSDYYXHJIK-NRFANRHFSA-N 0 0 421.566 5.067 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C ZINC000252626869 569310731 /nfs/dbraw/zinc/31/07/31/569310731.db2.gz RHHWQSDYYXHJIK-OAQYLSRUSA-N 0 0 421.566 5.067 50 30 HKEARN CCCCCCOc1ccc(N=CC=Nc2ccc(OCCCCCC)cc2)cc1 ZINC000252627115 569310904 /nfs/dbraw/zinc/31/09/04/569310904.db2.gz RMYBXWKWCIDRPY-UHFFFAOYSA-N 0 0 408.586 7.710 50 30 HKEARN Cc1ccccc1N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1C ZINC000252627162 569310841 /nfs/dbraw/zinc/31/08/41/569310841.db2.gz RNYKZZOKIPZASS-IBORXNHRSA-N 0 0 400.503 5.818 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1C ZINC000252627163 569310845 /nfs/dbraw/zinc/31/08/45/569310845.db2.gz RNYKZZOKIPZASS-LAJNNLEESA-N 0 0 400.503 5.818 50 30 HKEARN CCc1ccccc1N=C1S/C(=C\c2ccco2)C(=O)N1c1ccccc1CC ZINC000252627256 569310885 /nfs/dbraw/zinc/31/08/85/569310885.db2.gz RPYYSOZAOIITOP-HNYZTYFESA-N 0 0 402.519 6.213 50 30 HKEARN Oc1ccc2ccccc2c1C=Nc1ccc(-c2cnc(-c3ccccc3)nc2)cc1 ZINC000252627258 569310826 /nfs/dbraw/zinc/31/08/26/569310826.db2.gz RPZVZDGZIMFSLO-UHFFFAOYSA-N 0 0 401.469 6.420 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC ZINC000252627285 569310888 /nfs/dbraw/zinc/31/08/88/569310888.db2.gz RQRZKQSSRUAUKO-UHFFFAOYSA-N 0 0 418.316 5.036 50 30 HKEARN CCCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252627420 569310833 /nfs/dbraw/zinc/31/08/33/569310833.db2.gz RTRFYPABSIIFKF-UHFFFAOYSA-N 0 0 415.537 6.698 50 30 HKEARN O=[N+]([O-])c1cccc(-c2ccc(C=Nc3cccc(-c4nc5ccccc5o4)c3)o2)c1 ZINC000252627443 569372525 /nfs/dbraw/zinc/37/25/25/569372525.db2.gz RUEOFJVXYQWJLZ-UHFFFAOYSA-N 0 0 409.401 6.414 50 30 HKEARN C(=Nc1ccccn1)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000252627464 569310839 /nfs/dbraw/zinc/31/08/39/569310839.db2.gz RUWHZELCLVYWEJ-AREMUKBSSA-N 0 0 402.501 6.188 50 30 HKEARN C(=Nc1ccccn1)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000252627465 569310960 /nfs/dbraw/zinc/31/09/60/569310960.db2.gz RUWHZELCLVYWEJ-SANMLTNESA-N 0 0 402.501 6.188 50 30 HKEARN CC(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000252627490 569310855 /nfs/dbraw/zinc/31/08/55/569310855.db2.gz RVKDARJYUNCINP-LZJPHLTDSA-N 0 0 421.508 5.860 50 30 HKEARN CC(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000252627491 569310830 /nfs/dbraw/zinc/31/08/30/569310830.db2.gz RVKDARJYUNCINP-WLYKJMQDSA-N 0 0 421.508 5.860 50 30 HKEARN N#Cc1ccccc1N=C(C(=Nc1ccccc1C#N)c1ccccc1)c1ccccc1 ZINC000252627548 569310817 /nfs/dbraw/zinc/31/08/17/569310817.db2.gz RWRNFOPJJAZZDJ-UHFFFAOYSA-N 0 0 410.480 6.372 50 30 HKEARN Cc1cccc(NN=Cc2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000252627569 569310836 /nfs/dbraw/zinc/31/08/36/569310836.db2.gz RXDHAEBKYDBTMI-UHFFFAOYSA-N 0 0 414.892 6.467 50 30 HKEARN Cc1cc(Br)c(O)c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000252627704 569310969 /nfs/dbraw/zinc/31/09/69/569310969.db2.gz RZWRDQDUPFUEMV-UHFFFAOYSA-N 0 0 407.267 6.022 50 30 HKEARN COCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccccc1 ZINC000252627821 569310994 /nfs/dbraw/zinc/31/09/94/569310994.db2.gz SCCWLIOQQCIQEO-CDLNYGKDSA-N 0 0 407.322 5.244 50 30 HKEARN COCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccccc1 ZINC000252627822 569310943 /nfs/dbraw/zinc/31/09/43/569310943.db2.gz SCCWLIOQQCIQEO-ZJNHSXOMSA-N 0 0 407.322 5.244 50 30 HKEARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252628183 569311311 /nfs/dbraw/zinc/31/13/11/569311311.db2.gz SKDVXLOWFLNJGV-AWAAXKIWSA-N 0 0 406.507 5.352 50 30 HKEARN COc1ccc(N=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000252628231 569311299 /nfs/dbraw/zinc/31/12/99/569311299.db2.gz SLIKSFJADMFLHH-UHFFFAOYSA-N 0 0 423.381 5.063 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/C=C\c2ccco2)C(=O)N1c1ccccc1C ZINC000252628251 569311300 /nfs/dbraw/zinc/31/13/00/569311300.db2.gz SLVFKLLFINCEEG-GJJQVACISA-N 0 0 400.503 6.261 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccccc1C ZINC000252628252 569311295 /nfs/dbraw/zinc/31/12/95/569311295.db2.gz SLVFKLLFINCEEG-PTJYMCCHSA-N 0 0 400.503 6.261 50 30 HKEARN COc1ccccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000252628313 569311284 /nfs/dbraw/zinc/31/12/84/569311284.db2.gz SNJYWSNTYATPIO-HNYZTYFESA-N 0 0 400.503 5.499 50 30 HKEARN COc1ccccc1/C=C1/SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000252628314 569311319 /nfs/dbraw/zinc/31/13/19/569311319.db2.gz SNJYWSNTYATPIO-KGXUUABDSA-N 0 0 400.503 5.499 50 30 HKEARN CN(C)c1ccc(-c2nc3ccccn3c2N=Cc2ccc(Br)cc2)cc1 ZINC000252628388 569311285 /nfs/dbraw/zinc/31/12/85/569311285.db2.gz SOWHRDMSYCTZHO-UHFFFAOYSA-N 0 0 419.326 5.580 50 30 HKEARN CC(=NOCc1ccccc1)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000252628398 569311296 /nfs/dbraw/zinc/31/12/96/569311296.db2.gz SPFYLNIPRASPFK-UHFFFAOYSA-N 0 0 410.473 5.151 50 30 HKEARN COc1cc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)ccc1O ZINC000252628403 569311313 /nfs/dbraw/zinc/31/13/13/569311313.db2.gz SPJGLVOBHSRJJD-UHFFFAOYSA-N 0 0 412.276 5.773 50 30 HKEARN CN(C)c1ccc(C=NN=C2CCCc3c4cc(C5CCCCC5)ccc4[nH]c32)cc1 ZINC000252628500 569311283 /nfs/dbraw/zinc/31/12/83/569311283.db2.gz SRQNOVRXHQWKQS-UHFFFAOYSA-N 0 0 412.581 6.441 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2cc(Cl)cc(Cl)c2)ccc1Sc1ccccn1 ZINC000252628594 569311305 /nfs/dbraw/zinc/31/13/05/569311305.db2.gz STQYKYAQGSGIKR-UHFFFAOYSA-N 0 0 404.278 6.198 50 30 HKEARN Cc1cc(C)nc(SC(=Nc2cc([N+](=O)[O-])ccc2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000252628681 569311288 /nfs/dbraw/zinc/31/12/88/569311288.db2.gz SVLRQLMSCHCRBW-UHFFFAOYSA-N 0 0 423.454 5.089 50 30 HKEARN CCCCN1C(=O)/C(=C/c2ccc(C(=O)OCC)cc2)SC1=Nc1ccccc1 ZINC000252628791 569311312 /nfs/dbraw/zinc/31/13/12/569311312.db2.gz SXYOAJMEZSSOHM-SXBLMXAXSA-N 0 0 408.523 5.267 50 30 HKEARN Oc1ccc(Br)cc1C=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000252628820 569311460 /nfs/dbraw/zinc/31/14/60/569311460.db2.gz SYNNWQDWUMKWPZ-UHFFFAOYSA-N 0 0 406.283 5.303 50 30 HKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1OC ZINC000252629066 569311425 /nfs/dbraw/zinc/31/14/25/569311425.db2.gz TXVCWBCZMFZTTN-UHFFFAOYSA-N 0 0 407.417 5.292 50 30 HKEARN CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1OCC ZINC000252629078 569311402 /nfs/dbraw/zinc/31/14/02/569311402.db2.gz TYCAACJBNKJCTD-IRZHRRCCSA-N 0 0 410.539 5.280 50 30 HKEARN CCOc1ccc(/C=C2/SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1OCC ZINC000252629079 569311435 /nfs/dbraw/zinc/31/14/35/569311435.db2.gz TYCAACJBNKJCTD-QQAFOXPBSA-N 0 0 410.539 5.280 50 30 HKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000252629171 569311413 /nfs/dbraw/zinc/31/14/13/569311413.db2.gz UACUFFHRSFYDOK-UHFFFAOYSA-N 0 0 412.493 6.041 50 30 HKEARN CCOc1cc(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1O ZINC000252629231 569311433 /nfs/dbraw/zinc/31/14/33/569311433.db2.gz UBSSYDOYBWUFQK-UHFFFAOYSA-N 0 0 408.457 6.340 50 30 HKEARN FC(F)(F)c1cccc(-c2ccc(C=NN3C(=S)N=NC3c3ccccc3)o2)c1 ZINC000252629302 569311424 /nfs/dbraw/zinc/31/14/24/569311424.db2.gz UCZIVGZZGRZIKW-UHFFFAOYSA-N 0 0 414.412 5.395 50 30 HKEARN Clc1cccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c1Cl ZINC000252629449 569311412 /nfs/dbraw/zinc/31/14/12/569311412.db2.gz UGAXFBRRNXWQOZ-UHFFFAOYSA-N 0 0 401.293 5.841 50 30 HKEARN CCCCCOc1ccc(N=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 ZINC000252629482 569311583 /nfs/dbraw/zinc/31/15/83/569311583.db2.gz UGYBNKUPRKNTFC-UHFFFAOYSA-N 0 0 405.523 6.627 50 30 HKEARN CCOc1cc2c(cc1OCC)-c1c(C#N)c(N=Nc3ccccc3)c(C)n1CC2 ZINC000252629544 569311577 /nfs/dbraw/zinc/31/15/77/569311577.db2.gz UISQCTOTVRTOGC-UHFFFAOYSA-N 0 0 400.482 6.104 50 30 HKEARN COc1ccc(OC)c(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000252629557 569311519 /nfs/dbraw/zinc/31/15/19/569311519.db2.gz UJCBRSYDKGNYTG-UHFFFAOYSA-N 0 0 408.457 6.253 50 30 HKEARN N#Cc1c(N=Cc2c(F)cccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252629609 569311581 /nfs/dbraw/zinc/31/15/81/569311581.db2.gz UJWNUNVBRCJEDN-UHFFFAOYSA-N 0 0 400.840 7.028 50 30 HKEARN Oc1c(C=Nc2ccc(Br)cn2)cc(Br)c2ccccc12 ZINC000252629705 569311565 /nfs/dbraw/zinc/31/15/65/569311565.db2.gz ULWORVHIXOCNIA-UHFFFAOYSA-N 0 0 406.077 5.216 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2cc(Cl)cc(Cl)c2)ccc1SCc1ccco1 ZINC000252629746 569311539 /nfs/dbraw/zinc/31/15/39/569311539.db2.gz UMUUKLOLWUUBJM-UHFFFAOYSA-N 0 0 407.278 6.538 50 30 HKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 ZINC000252629857 569311493 /nfs/dbraw/zinc/31/14/93/569311493.db2.gz UOXZZFZZOZVHNT-UHFFFAOYSA-N 0 0 415.405 5.499 50 30 HKEARN O=C1/C(=C\c2ccc(F)cc2)SC(=Nc2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000252629948 569311530 /nfs/dbraw/zinc/31/15/30/569311530.db2.gz UQUJMRJADVNZDN-RQFVJUFOSA-N 0 0 410.420 5.913 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)SC(=Nc2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000252629949 569311495 /nfs/dbraw/zinc/31/14/95/569311495.db2.gz UQUJMRJADVNZDN-SMTYPRMSSA-N 0 0 410.420 5.913 50 30 HKEARN CC(=O)Oc1c(Br)cc(C=Nc2ccc(C)cc2)cc1Br ZINC000252630037 569311562 /nfs/dbraw/zinc/31/15/62/569311562.db2.gz UTBSJZZNSAOTLH-UHFFFAOYSA-N 0 0 411.093 5.196 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4c(O)cc(C)c(Cl)c4C)c3C)nc2c1 ZINC000252630082 569311510 /nfs/dbraw/zinc/31/15/10/569311510.db2.gz UUDLGOQNWBTCNN-UHFFFAOYSA-N 0 0 404.897 6.838 50 30 HKEARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(=Nc2ccccc2Cl)S1 ZINC000252630167 569311608 /nfs/dbraw/zinc/31/16/08/569311608.db2.gz UWLASOSIFLFLDH-JTQLQIEISA-N 0 0 414.745 6.304 50 30 HKEARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(=Nc2ccccc2Cl)S1 ZINC000252630168 569311698 /nfs/dbraw/zinc/31/16/98/569311698.db2.gz UWLASOSIFLFLDH-SNVBAGLBSA-N 0 0 414.745 6.304 50 30 HKEARN Cc1ccc(C)c(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252630176 569311680 /nfs/dbraw/zinc/31/16/80/569311680.db2.gz UWOUOKHGYVPDNP-GCNWNYGFSA-N 0 0 412.558 6.729 50 30 HKEARN Cc1ccc(C)c(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252630177 569311637 /nfs/dbraw/zinc/31/16/37/569311637.db2.gz UWOUOKHGYVPDNP-GUGSDYAWSA-N 0 0 412.558 6.729 50 30 HKEARN CC(N=Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccc(Br)cc1 ZINC000252630295 569311694 /nfs/dbraw/zinc/31/16/94/569311694.db2.gz UYPVFFIQBNSOPA-UHFFFAOYSA-N 0 0 418.509 5.512 50 30 HKEARN Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(Br)cc1 ZINC000252630498 569311668 /nfs/dbraw/zinc/31/16/68/569311668.db2.gz VAVSVSHDXLMRMK-UHFFFAOYSA-N 0 0 424.323 5.078 50 30 HKEARN C(=Nc1nc2ccccc2n1Cc1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000252630690 569311644 /nfs/dbraw/zinc/31/16/44/569311644.db2.gz VDLDFNCOFCWPAT-UHFFFAOYSA-N 0 0 411.508 7.142 50 30 HKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1OC ZINC000252631055 569312650 /nfs/dbraw/zinc/31/26/50/569312650.db2.gz VHHFITIRGFTQRU-IRZHRRCCSA-N 0 0 408.523 5.056 50 30 HKEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(CC)cc3)N(C)C2=O)cc1OC ZINC000252631056 569312672 /nfs/dbraw/zinc/31/26/72/569312672.db2.gz VHHFITIRGFTQRU-QQAFOXPBSA-N 0 0 408.523 5.056 50 30 HKEARN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252631134 569312834 /nfs/dbraw/zinc/31/28/34/569312834.db2.gz VIMTWHUJXXKFTN-HYNSQCECSA-N 0 0 422.550 5.395 50 30 HKEARN CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252631137 569312759 /nfs/dbraw/zinc/31/27/59/569312759.db2.gz VIMTWHUJXXKFTN-LJVHWXJXSA-N 0 0 422.550 5.395 50 30 HKEARN C#CCOc1ccc(/C=C2\SC(=Nc3ccc(OCC)cc3)N(CCC)C2=O)cc1 ZINC000252631165 569312751 /nfs/dbraw/zinc/31/27/51/569312751.db2.gz VJCJTHBYXOVJEX-OUUDUQSLSA-N 0 0 420.534 5.111 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000252631846 569313286 /nfs/dbraw/zinc/31/32/86/569313286.db2.gz VNDYLDBDHQIQJO-DQVYDLFNSA-N 0 0 424.500 6.937 50 30 HKEARN CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C\c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000252631847 569313264 /nfs/dbraw/zinc/31/32/64/569313264.db2.gz VNDYLDBDHQIQJO-UXTUZXLASA-N 0 0 424.500 6.937 50 30 HKEARN CN(C)c1ccc(-c2nc3cc(N=Cc4ccc(Br)cc4)ccc3o2)cc1 ZINC000252631865 569313266 /nfs/dbraw/zinc/31/32/66/569313266.db2.gz VNJLUJMOYWEPSU-UHFFFAOYSA-N 0 0 420.310 6.074 50 30 HKEARN Cc1cccc(-c2nc3cc(N=Cc4cc(Br)ccc4O)ccc3o2)c1 ZINC000252631984 569313394 /nfs/dbraw/zinc/31/33/94/569313394.db2.gz VNQZSYPAANWQTH-UHFFFAOYSA-N 0 0 407.267 6.022 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=C/C=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000252632052 569313497 /nfs/dbraw/zinc/31/34/97/569313497.db2.gz VPEXJCFJVYMVIX-HVSNTMGOSA-N 0 0 423.368 7.994 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=C/C=C\c4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000252632053 569313520 /nfs/dbraw/zinc/31/35/20/569313520.db2.gz VPEXJCFJVYMVIX-NBKOWPQVSA-N 0 0 423.368 7.994 50 30 HKEARN Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000252632250 569313587 /nfs/dbraw/zinc/31/35/87/569313587.db2.gz VRNXBSLBCFYTNY-UHFFFAOYSA-N 0 0 423.428 6.722 50 30 HKEARN COc1cc(Br)c(Br)c(C=Nc2cc(C)ccc2C)c1O ZINC000252632397 569313552 /nfs/dbraw/zinc/31/35/52/569313552.db2.gz VSORLVJBKDCPFK-UHFFFAOYSA-N 0 0 413.109 5.293 50 30 HKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccccc1C ZINC000252632424 569313496 /nfs/dbraw/zinc/31/34/96/569313496.db2.gz VTBJKWOZSUMYPL-NRFANRHFSA-N 0 0 421.566 5.265 50 30 HKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccccc1C ZINC000252632425 569313555 /nfs/dbraw/zinc/31/35/55/569313555.db2.gz VTBJKWOZSUMYPL-OAQYLSRUSA-N 0 0 421.566 5.265 50 30 HKEARN Cc1ccccc1N=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1C ZINC000252632438 569313479 /nfs/dbraw/zinc/31/34/79/569313479.db2.gz VTJNAGAAZDWEOG-DRIWLZCMSA-N 0 0 418.949 6.765 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1c1ccccc1C ZINC000252632439 569313485 /nfs/dbraw/zinc/31/34/85/569313485.db2.gz VTJNAGAAZDWEOG-MUJYFGONSA-N 0 0 418.949 6.765 50 30 HKEARN CCCOc1ccc(C(CCCCC(=NO)c2ccc(OCCC)cc2)=NO)cc1 ZINC000252632444 569313533 /nfs/dbraw/zinc/31/35/33/569313533.db2.gz VTONGVXQWPLKTA-UHFFFAOYSA-N 0 0 412.530 5.881 50 30 HKEARN Clc1ccc(/C=C/C=Nc2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 ZINC000252632591 569313607 /nfs/dbraw/zinc/31/36/07/569313607.db2.gz VURVLRXJMWSLDU-HELKRTJESA-N 0 0 409.341 7.686 50 30 HKEARN Clc1ccc(/C=C\C=Nc2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 ZINC000252632592 569313608 /nfs/dbraw/zinc/31/36/08/569313608.db2.gz VURVLRXJMWSLDU-HRPWZSTBSA-N 0 0 409.341 7.686 50 30 HKEARN C(=Nc1ccc(-c2nc3cc(N=Cc4ccccc4)ccc3o2)cc1)c1ccccc1 ZINC000252632624 569313592 /nfs/dbraw/zinc/31/35/92/569313592.db2.gz VVKOCGLUTFSZGG-UHFFFAOYSA-N 0 0 401.469 6.996 50 30 HKEARN CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1ccc(OC)cc1 ZINC000252632818 569313606 /nfs/dbraw/zinc/31/36/06/569313606.db2.gz VXHDHSDFSBFWNP-CGMQVKNUSA-N 0 0 421.316 5.065 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1ccc(OC)cc1 ZINC000252632820 569313585 /nfs/dbraw/zinc/31/35/85/569313585.db2.gz VXHDHSDFSBFWNP-CYIIUJIZSA-N 0 0 421.316 5.065 50 30 HKEARN O=C(/C=C/c1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1)OCCc1ccccc1 ZINC000252632974 569313603 /nfs/dbraw/zinc/31/36/03/569313603.db2.gz VYNLXSFZWNZKKA-UBYDHLHYSA-N 0 0 400.434 5.145 50 30 HKEARN O=C(/C=C\c1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1)OCCc1ccccc1 ZINC000252632975 569313621 /nfs/dbraw/zinc/31/36/21/569313621.db2.gz VYNLXSFZWNZKKA-XVKNGGQRSA-N 0 0 400.434 5.145 50 30 HKEARN Brc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 ZINC000252633085 569313589 /nfs/dbraw/zinc/31/35/89/569313589.db2.gz VYVDHAGUOZYNRY-UHFFFAOYSA-N 0 0 420.270 5.007 50 30 HKEARN Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000252633322 569314294 /nfs/dbraw/zinc/31/42/94/569314294.db2.gz WCFMSLCDPWQYFB-UHFFFAOYSA-N 0 0 411.230 5.853 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccccc2OCC)SC1=Nc1ccc(OCC)cc1 ZINC000252633368 569314672 /nfs/dbraw/zinc/31/46/72/569314672.db2.gz WDFHJOKERSDOQN-NXZXOXKRSA-N 0 0 410.539 5.498 50 30 HKEARN CCCN1C(=O)/C(=C\c2ccccc2OCC)SC1=Nc1ccc(OCC)cc1 ZINC000252633369 569314667 /nfs/dbraw/zinc/31/46/67/569314667.db2.gz WDFHJOKERSDOQN-YSKMNUJESA-N 0 0 410.539 5.498 50 30 HKEARN Brc1ccc(-c2ccc(C=NN(c3ccccc3)c3ccccc3)o2)cc1 ZINC000252633377 569314606 /nfs/dbraw/zinc/31/46/06/569314606.db2.gz WDKRZMLVROCPJY-UHFFFAOYSA-N 0 0 417.306 6.881 50 30 HKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(O)cc2O)C(=O)N1c1ccccc1C ZINC000252633480 569314982 /nfs/dbraw/zinc/31/49/82/569314982.db2.gz WDQCKNYPJXREBT-GKHGIVLLSA-N 0 0 416.502 5.523 50 30 HKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(O)cc2O)C(=O)N1c1ccccc1C ZINC000252633481 569314972 /nfs/dbraw/zinc/31/49/72/569314972.db2.gz WDQCKNYPJXREBT-ITHWDPAFSA-N 0 0 416.502 5.523 50 30 HKEARN CCOc1cccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1O ZINC000252633640 569315381 /nfs/dbraw/zinc/31/53/81/569315381.db2.gz WFBKTAVQGDSSCN-CHLWQFSPSA-N 0 0 416.502 5.600 50 30 HKEARN CCOc1cccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1O ZINC000252633643 569315367 /nfs/dbraw/zinc/31/53/67/569315367.db2.gz WFBKTAVQGDSSCN-SNSRFIGSSA-N 0 0 416.502 5.600 50 30 HKEARN Oc1ccc(Cc2ccccc2)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252633885 569315455 /nfs/dbraw/zinc/31/54/55/569315455.db2.gz WIFLIZQTUVLDJW-UHFFFAOYSA-N 0 0 404.469 6.542 50 30 HKEARN Cc1ccc(N=Cc2ccc(OC(=O)/C=C\c3ccc(Br)cc3)cc2)cc1 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5.923 50 30 HKEARN CCc1ccc(N=C2S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 ZINC000252634390 569315551 /nfs/dbraw/zinc/31/55/51/569315551.db2.gz WNFCAXDYDYQIIQ-OJVQYLDISA-N 0 0 408.567 5.923 50 30 HKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1 ZINC000252634823 569316873 /nfs/dbraw/zinc/31/68/73/569316873.db2.gz WRLJFFYKDXDRER-UHFFFAOYSA-N 0 0 413.478 5.067 50 30 HKEARN CCc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000252635054 569317029 /nfs/dbraw/zinc/31/70/29/569317029.db2.gz WUCITPHOXOYTID-DNKROPNVSA-N 0 0 412.558 6.674 50 30 HKEARN CCc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000252635055 569316989 /nfs/dbraw/zinc/31/69/89/569316989.db2.gz WUCITPHOXOYTID-SIFMURAYSA-N 0 0 412.558 6.674 50 30 HKEARN Clc1ccc(N=C(c2ccccc2)N(c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000252635680 569317171 /nfs/dbraw/zinc/31/71/71/569317171.db2.gz WZJWLCYVLREZNK-UHFFFAOYSA-N 0 0 417.339 7.910 50 30 HKEARN O=C(ON=Cc1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc(Cl)cc1 ZINC000252635691 569317161 /nfs/dbraw/zinc/31/71/61/569317161.db2.gz WZLQERPUFVACNE-UHFFFAOYSA-N 0 0 418.902 5.864 50 30 HKEARN COc1ccccc1N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1OC ZINC000252635717 569317176 /nfs/dbraw/zinc/31/71/76/569317176.db2.gz WZUYAQCVSNEKFJ-HNYZTYFESA-N 0 0 416.502 5.512 50 30 HKEARN COc1ccccc1N=C1S/C(=C/c2ccccc2)C(=O)N1c1ccccc1OC ZINC000252635718 569317136 /nfs/dbraw/zinc/31/71/36/569317136.db2.gz WZUYAQCVSNEKFJ-KGXUUABDSA-N 0 0 416.502 5.512 50 30 HKEARN Oc1ccc(N=C/C=C\c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 ZINC000252635762 569317243 /nfs/dbraw/zinc/31/72/43/569317243.db2.gz XAUSYZSCEAXHLO-KAVOMJSMSA-N 0 0 419.278 6.379 50 30 HKEARN Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000252635765 569317237 /nfs/dbraw/zinc/31/72/37/569317237.db2.gz XAVDPSODIZHWJR-UHFFFAOYSA-N 0 0 411.230 5.853 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)ccc1Cl ZINC000252635890 569317254 /nfs/dbraw/zinc/31/72/54/569317254.db2.gz XBEQKOWWUQXTOB-UHFFFAOYSA-N 0 0 412.232 6.460 50 30 HKEARN O=C1/C(=C/c2cccc3ccccc23)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252635936 569317302 /nfs/dbraw/zinc/31/73/02/569317302.db2.gz XCNPPMMIWPMXFF-MMKHHPBPSA-N 0 0 406.510 6.648 50 30 HKEARN O=C1/C(=C\c2cccc3ccccc23)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252635937 569317236 /nfs/dbraw/zinc/31/72/36/569317236.db2.gz XCNPPMMIWPMXFF-ZNCAUEQNSA-N 0 0 406.510 6.648 50 30 HKEARN Cc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c(Br)c1 ZINC000252636144 569317365 /nfs/dbraw/zinc/31/73/65/569317365.db2.gz XFCRSKLRGWLMPB-UHFFFAOYSA-N 0 0 412.312 6.073 50 30 HKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1ccc(Cl)cc1Cl ZINC000252636149 569317375 /nfs/dbraw/zinc/31/73/75/569317375.db2.gz XFFMJSMEDIYHSR-UHFFFAOYSA-N 0 0 415.707 7.514 50 30 HKEARN Cc1ccc2nc(-c3ccc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)cc3)sc2c1 ZINC000252636284 569317309 /nfs/dbraw/zinc/31/73/09/569317309.db2.gz XGFYWJZXPNESRE-UHFFFAOYSA-N 0 0 417.446 5.659 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=Nc1ccc(OC)cc1 ZINC000252636332 569317275 /nfs/dbraw/zinc/31/72/75/569317275.db2.gz XHJFJIRLJHBZHC-OUUDUQSLSA-N 0 0 423.582 5.555 50 30 HKEARN Cc1cc(Cc2ccc(N=Cc3ccccn3)c(C)c2)ccc1N=Cc1ccccn1 ZINC000252636516 569317264 /nfs/dbraw/zinc/31/72/64/569317264.db2.gz XJHAPJQXIKWPPH-UHFFFAOYSA-N 0 0 404.517 6.185 50 30 HKEARN CCOc1ccc(-c2nc3cc(N=Cc4cccc(OCC)c4O)ccc3o2)cc1 ZINC000252636704 569317257 /nfs/dbraw/zinc/31/72/57/569317257.db2.gz XLDCNNADZIVKSP-UHFFFAOYSA-N 0 0 402.450 5.748 50 30 HKEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000252636714 569317389 /nfs/dbraw/zinc/31/73/89/569317389.db2.gz XLHJRIDRVCIBNO-UHFFFAOYSA-N 0 0 415.305 5.683 50 30 HKEARN COc1cc(Br)c(Br)c(C=Nc2ccc(Cl)cc2)c1O ZINC000252636886 569317378 /nfs/dbraw/zinc/31/73/78/569317378.db2.gz XMWUTNNPFFQLSG-UHFFFAOYSA-N 0 0 419.500 5.330 50 30 HKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc2ncccc2c1 ZINC000252636971 569317405 /nfs/dbraw/zinc/31/74/05/569317405.db2.gz XOMITWDDBSHNNB-KNOSKDQYSA-N 0 0 418.547 5.229 50 30 HKEARN CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc2ncccc2c1 ZINC000252636972 569317369 /nfs/dbraw/zinc/31/73/69/569317369.db2.gz XOMITWDDBSHNNB-SKGRIUKPSA-N 0 0 418.547 5.229 50 30 HKEARN Clc1ccc(Oc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000252637302 569317485 /nfs/dbraw/zinc/31/74/85/569317485.db2.gz XROGJXMBTGUNFK-UHFFFAOYSA-N 0 0 411.115 7.843 50 30 HKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=Nc2sc3c(c2C#N)CCCC3)o1 ZINC000252637352 569317499 /nfs/dbraw/zinc/31/74/99/569317499.db2.gz XSEJBLLVAZWZII-UHFFFAOYSA-N 0 0 405.479 6.034 50 30 HKEARN CN(C)c1ccc(C=Nc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000252637362 569317470 /nfs/dbraw/zinc/31/74/70/569317470.db2.gz XSJDPNYWLVPIJN-UHFFFAOYSA-N 0 0 404.513 6.789 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)ccc1Cl ZINC000252637642 569317383 /nfs/dbraw/zinc/31/73/83/569317383.db2.gz XUZYWUPRAIMXMS-UHFFFAOYSA-N 0 0 401.209 5.560 50 30 HKEARN Oc1cc(N=Cc2cccc(-c3ccccc3)c2O)ccc1-c1nc2ccccc2s1 ZINC000252637655 569317358 /nfs/dbraw/zinc/31/73/58/569317358.db2.gz XVGFCRIBFHWZKU-UHFFFAOYSA-N 0 0 422.509 6.792 50 30 HKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000252637669 569317377 /nfs/dbraw/zinc/31/73/77/569317377.db2.gz XVQOFLCKVJZTNP-UHFFFAOYSA-N 0 0 406.316 6.905 50 30 HKEARN Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000252637839 569317513 /nfs/dbraw/zinc/31/75/13/569317513.db2.gz XXFWCCWEQFHJOC-UHFFFAOYSA-N 0 0 418.478 6.097 50 30 HKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(Br)cc4)ccc3o2)cc1 ZINC000252638015 569317517 /nfs/dbraw/zinc/31/75/17/569317517.db2.gz XYQXVSROFHJBPG-UHFFFAOYSA-N 0 0 407.267 6.017 50 30 HKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC ZINC000252638095 569317488 /nfs/dbraw/zinc/31/74/88/569317488.db2.gz XZILYBWAJVIKAG-UHFFFAOYSA-N 0 0 422.337 5.970 50 30 HKEARN Cc1cc(-c2ccc(N=Cc3cccc(O)c3)c(C)c2)ccc1N=Cc1cccc(O)c1 ZINC000252638150 569317496 /nfs/dbraw/zinc/31/74/96/569317496.db2.gz XZSNDZJWOSCDED-UHFFFAOYSA-N 0 0 420.512 6.883 50 30 HKEARN COc1ccc(S(=O)(=O)Oc2ccc(N=Cc3cccc4ccccc34)cc2)cc1 ZINC000252638186 569317471 /nfs/dbraw/zinc/31/74/71/569317471.db2.gz XZVIRAPTVAJNBJ-UHFFFAOYSA-N 0 0 417.486 5.367 50 30 HKEARN C=CCc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(CC)C2=O)cc(OC)c1O ZINC000252638348 569317472 /nfs/dbraw/zinc/31/74/72/569317472.db2.gz YBLCECFXJVXHAO-NGZUUMTHSA-N 0 0 422.550 5.370 50 30 HKEARN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(CC)C2=O)cc(OC)c1O ZINC000252638351 569317486 /nfs/dbraw/zinc/31/74/86/569317486.db2.gz YBLCECFXJVXHAO-ZOQGDPGVSA-N 0 0 422.550 5.370 50 30 HKEARN CCn1ncc(/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 ZINC000252638391 523688721 /nfs/dbraw/zinc/68/87/21/523688721.db2.gz YBVXROOOLSXZHU-ZFHLFDPRSA-N 0 0 408.586 5.098 50 30 biogenic HKEARN Clc1ccc(CON=C(c2ccc(Cl)cc2)c2ccccc2-n2ccnc2)cc1 ZINC000252638423 569317508 /nfs/dbraw/zinc/31/75/08/569317508.db2.gz YCEYAJNUOJLISZ-UHFFFAOYSA-N 0 0 422.315 6.148 50 30 HKEARN CC(C)(C)C(=CCc1ccc(Cl)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252638434 569317493 /nfs/dbraw/zinc/31/74/93/569317493.db2.gz YCMTVQSRPRHKHH-DUEIZTHXSA-N 0 0 402.838 5.684 50 30 HKEARN CC(C)(C)C(=CCc1ccc(Cl)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252638437 569317514 /nfs/dbraw/zinc/31/75/14/569317514.db2.gz YCMTVQSRPRHKHH-JXBFRNQSSA-N 0 0 402.838 5.684 50 30 HKEARN O=[N+]([O-])c1ccccc1C=Nc1cccc2c(N=Cc3ccccc3[N+](=O)[O-])cccc12 ZINC000252638545 569317523 /nfs/dbraw/zinc/31/75/23/569317523.db2.gz YDXOIIKHCHXREZ-UHFFFAOYSA-N 0 0 424.416 6.157 50 30 HKEARN COc1cc(Br)c(Br)c(C=Nc2ccccc2Cl)c1O ZINC000252638717 569317506 /nfs/dbraw/zinc/31/75/06/569317506.db2.gz YEWBQDCCTXKYHE-UHFFFAOYSA-N 0 0 419.500 5.330 50 30 HKEARN Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c1 ZINC000252638729 569317516 /nfs/dbraw/zinc/31/75/16/569317516.db2.gz YFCBEWHLZSCQCB-UHFFFAOYSA-N 0 0 415.405 5.499 50 30 HKEARN Cc1cc2c(cc1C=Nc1sc3c(c1C(=O)NC1CCCCC1)CCCC3)OCO2 ZINC000252638733 569317475 /nfs/dbraw/zinc/31/74/75/569317475.db2.gz YFDUYZFYLBOJKR-UHFFFAOYSA-N 0 0 424.566 5.477 50 30 HKEARN CCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252638908 569317620 /nfs/dbraw/zinc/31/76/20/569317620.db2.gz YHBWHZUJURZQSX-UHFFFAOYSA-N 0 0 401.510 6.308 50 30 HKEARN COc1cccc(C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000252639250 569317572 /nfs/dbraw/zinc/31/75/72/569317572.db2.gz YIOYADUVORPGKJ-UHFFFAOYSA-N 0 0 413.260 6.266 50 30 HKEARN CCc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252639763 569317783 /nfs/dbraw/zinc/31/77/83/569317783.db2.gz YNHWZLYRIDMLRC-DNKROPNVSA-N 0 0 412.558 6.674 50 30 HKEARN CCc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252639765 569317803 /nfs/dbraw/zinc/31/78/03/569317803.db2.gz YNHWZLYRIDMLRC-SIFMURAYSA-N 0 0 412.558 6.674 50 30 HKEARN N#Cc1cnc2c(N=Nc3ccccc3Cl)c(N)nn2c1-c1ccc(Cl)cc1 ZINC000252640189 569317792 /nfs/dbraw/zinc/31/77/92/569317792.db2.gz YQWPVDXQJJHKKG-UHFFFAOYSA-N 0 0 408.252 5.572 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1 ZINC000252640439 569317791 /nfs/dbraw/zinc/31/77/91/569317791.db2.gz YTXWEGSCPKPUCC-UHFFFAOYSA-N 0 0 421.460 5.592 50 30 HKEARN S=C(NN=Cc1ccc(OCc2cccc3ccccc32)cc1)Nc1ccccc1 ZINC000252640456 569317751 /nfs/dbraw/zinc/31/77/51/569317751.db2.gz YUFMXUJGJGVJCK-UHFFFAOYSA-N 0 0 411.530 5.739 50 30 HKEARN CC(=Nc1c(C(C)C)cccc1C(C)C)C(C)=Nc1c(C(C)C)cccc1C(C)C ZINC000252640457 519350395 /nfs/dbraw/zinc/35/03/95/519350395.db2.gz YUFQUBWPYIPRHZ-UHFFFAOYSA-N 0 0 404.642 9.065 50 30 HKEARN COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1O ZINC000252640672 569317780 /nfs/dbraw/zinc/31/77/80/569317780.db2.gz YWHIPHBTLAMVON-UHFFFAOYSA-N 0 0 422.282 5.457 50 30 HKEARN COc1cc(C=Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 ZINC000252640819 569318645 /nfs/dbraw/zinc/31/86/45/569318645.db2.gz YXJYBKJPMKIQEG-UHFFFAOYSA-N 0 0 402.519 5.837 50 30 HKEARN CSC1=NC(=Nc2cccc(Cl)c2)C2(CCCC2)N1c1ccc(Cl)cc1 ZINC000252640877 569318659 /nfs/dbraw/zinc/31/86/59/569318659.db2.gz YXVQFOJEIBMRCE-UHFFFAOYSA-N 0 0 404.366 6.575 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3cccc4ccccc43)c3ccccc23)nc1 ZINC000252640928 569318630 /nfs/dbraw/zinc/31/86/30/569318630.db2.gz YYCITGJQKKGNSH-UHFFFAOYSA-N 0 0 421.460 5.592 50 30 HKEARN CN(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252640975 569318665 /nfs/dbraw/zinc/31/86/65/569318665.db2.gz YYRDUGSLGUBVMO-CMEWOCMCSA-N 0 0 413.546 5.557 50 30 HKEARN CN(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252640976 569318671 /nfs/dbraw/zinc/31/86/71/569318671.db2.gz YYRDUGSLGUBVMO-SUOSWRNOSA-N 0 0 413.546 5.557 50 30 HKEARN CCCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=Nc1ccccc1 ZINC000252641088 569318679 /nfs/dbraw/zinc/31/86/79/569318679.db2.gz YZDKCTYQTFJEFG-SCWWSTLWSA-N 0 0 417.328 5.169 50 30 HKEARN CCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=Nc1ccccc1 ZINC000252641090 569318631 /nfs/dbraw/zinc/31/86/31/569318631.db2.gz YZDKCTYQTFJEFG-VZTGFIPTSA-N 0 0 417.328 5.169 50 30 HKEARN Cc1c(N=Cc2c(-c3ccccc3)cc3ccccn32)c(=O)n(-c2ccccc2)n1C ZINC000252641144 569318621 /nfs/dbraw/zinc/31/86/21/569318621.db2.gz ZAKNEBBPVQEOPX-UHFFFAOYSA-N 0 0 406.489 5.155 50 30 HKEARN Cc1n[nH]c(C)c1Sc1ccccc1N=Cc1ccc(-c2ccccc2Cl)o1 ZINC000252641300 569318664 /nfs/dbraw/zinc/31/86/64/569318664.db2.gz ZBNHORGVTOUXTB-UHFFFAOYSA-N 0 0 407.926 6.842 50 30 HKEARN Cc1ccc(N=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000252641515 569318673 /nfs/dbraw/zinc/31/86/73/569318673.db2.gz ZDUZXPUELSJKGL-UHFFFAOYSA-N 0 0 419.393 5.090 50 30 HKEARN O=C(Oc1ccco1)c1ccc(C=Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000252641547 569318778 /nfs/dbraw/zinc/31/87/78/569318778.db2.gz ZEPXGVNMJCYSJW-UHFFFAOYSA-N 0 0 424.412 5.763 50 30 HKEARN COc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000252641798 569318780 /nfs/dbraw/zinc/31/87/80/569318780.db2.gz ZFOZYIWLKZSTHC-MPVWDOOLSA-N 0 0 414.530 6.121 50 30 HKEARN COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000252641799 569318757 /nfs/dbraw/zinc/31/87/57/569318757.db2.gz ZFOZYIWLKZSTHC-ZYITZIQLSA-N 0 0 414.530 6.121 50 30 HKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3cc(Cl)ccn32)ccc1Cl ZINC000252641876 569318794 /nfs/dbraw/zinc/31/87/94/569318794.db2.gz ZHHYUVMCNXZHBM-UHFFFAOYSA-N 0 0 401.209 5.560 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000252642065 569318763 /nfs/dbraw/zinc/31/87/63/569318763.db2.gz ZJMXIYHLXZGJMG-PCZIDNTRSA-N 0 0 403.825 6.472 50 30 HKEARN O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 ZINC000252642066 569318807 /nfs/dbraw/zinc/31/88/07/569318807.db2.gz ZJMXIYHLXZGJMG-WTAGINGOSA-N 0 0 403.825 6.472 50 30 HKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252642263 569318786 /nfs/dbraw/zinc/31/87/86/569318786.db2.gz ZKJIQPJSPFGYTE-MPVWDOOLSA-N 0 0 414.530 6.121 50 30 HKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252642266 569318771 /nfs/dbraw/zinc/31/87/71/569318771.db2.gz ZKJIQPJSPFGYTE-ZYITZIQLSA-N 0 0 414.530 6.121 50 30 HKEARN CC[C@@H](C)CN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000252642297 569318782 /nfs/dbraw/zinc/31/87/82/569318782.db2.gz ZKXIBAPBUKLSKR-ISLCSGTISA-N 0 0 409.511 5.553 50 30 HKEARN CC[C@H](C)CN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000252642299 569318758 /nfs/dbraw/zinc/31/87/58/569318758.db2.gz ZKXIBAPBUKLSKR-QWCUMDLISA-N 0 0 409.511 5.553 50 30 HKEARN CC[C@H](C)CN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000252642301 569318818 /nfs/dbraw/zinc/31/88/18/569318818.db2.gz ZKXIBAPBUKLSKR-UGRGZZGSSA-N 0 0 409.511 5.553 50 30 HKEARN CC[C@@H](C)CN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000252642303 569318765 /nfs/dbraw/zinc/31/87/65/569318765.db2.gz ZKXIBAPBUKLSKR-YBXROMLRSA-N 0 0 409.511 5.553 50 30 HKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000252642774 569318766 /nfs/dbraw/zinc/31/87/66/569318766.db2.gz ZQAGPGGDUPBPPM-UHFFFAOYSA-N 0 0 421.196 5.516 50 30 HKEARN CC(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000252643505 569318956 /nfs/dbraw/zinc/31/89/56/569318956.db2.gz ZVDXIMYFGWGRMY-UHFFFAOYSA-N 0 0 403.957 5.471 50 30 HKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccccc1 ZINC000252643847 569318940 /nfs/dbraw/zinc/31/89/40/569318940.db2.gz ZXSXDHRIDAWCHV-CUCKYGFWSA-N 0 0 423.563 5.245 50 30 HKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3)nc2c1 ZINC000252643853 569318930 /nfs/dbraw/zinc/31/89/30/569318930.db2.gz ZXUQHVMIVZQUKK-UHFFFAOYSA-N 0 0 423.428 6.722 50 30 HKEARN Cc1cc(-c2ccc(C=Nc3sc4c(c3C#N)CCCC4)o2)c(C)c([N+](=O)[O-])c1 ZINC000252644099 569318910 /nfs/dbraw/zinc/31/89/10/569318910.db2.gz ZZBSAXUTMVZCGN-UHFFFAOYSA-N 0 0 405.479 6.034 50 30 HKEARN C=CCn1cc(-c2ccc(Br)cc2)sc1=Nc1ccc(OCC)cc1 ZINC000252668846 569319099 /nfs/dbraw/zinc/31/90/99/569319099.db2.gz FSTFYZMTMPOTMN-UHFFFAOYSA-N 0 0 415.356 5.796 50 30 HKEARN C=CCn1c(-c2ccc(Br)cc2)c(C)sc1=Nc1ccc(OC)cc1 ZINC000252671521 569319421 /nfs/dbraw/zinc/31/94/21/569319421.db2.gz NKDSTJGSFIDPOP-UHFFFAOYSA-N 0 0 415.356 5.715 50 30 HKEARN Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000252677498 569061548 /nfs/dbraw/zinc/06/15/48/569061548.db2.gz YYJNOYZRYGDPNH-UHFFFAOYSA-N 0 0 421.497 5.027 50 30 HKEARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=N/N=C/c1ccc(F)cc1 ZINC000252677882 569319819 /nfs/dbraw/zinc/31/98/19/569319819.db2.gz AMLPMOKTYSXKFI-JAEDBGRHSA-N 0 0 408.561 5.924 50 30 biogenic HKEARN O=[N+]([O-])c1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000252677940 569319800 /nfs/dbraw/zinc/31/98/00/569319800.db2.gz BISYORYDYANBMY-UHFFFAOYSA-N 0 0 403.829 5.304 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000252677965 569319797 /nfs/dbraw/zinc/31/97/97/569319797.db2.gz BSQMBRJYUYIBAM-UHFFFAOYSA-N 0 0 418.884 5.413 50 30 HKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000252678025 525863619 /nfs/dbraw/zinc/86/36/19/525863619.db2.gz CMDIFHILGNCBOO-UHFFFAOYSA-N 0 0 404.857 5.110 50 30 HKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 ZINC000252679149 569319795 /nfs/dbraw/zinc/31/97/95/569319795.db2.gz IMRVUCXHGZYKGL-UHFFFAOYSA-N 0 0 418.884 5.413 50 30 HKEARN COc1cccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1O ZINC000252679179 525862946 /nfs/dbraw/zinc/86/29/46/525862946.db2.gz JBSYXZXIYVVGIG-UHFFFAOYSA-N 0 0 404.857 5.110 50 30 HKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000252679194 523788378 /nfs/dbraw/zinc/78/83/78/523788378.db2.gz JGMJSHVKLYIUFA-UHFFFAOYSA-N 0 0 402.885 5.795 50 30 HKEARN CN(C)c1ccc(C=Nc2ccc3c(c2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000252679405 569319856 /nfs/dbraw/zinc/31/98/56/569319856.db2.gz LWZIHSFJDJCOMQ-UHFFFAOYSA-N 0 0 400.525 6.490 50 30 HKEARN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3c3ccccc32)ccc1Br ZINC000252679595 569319844 /nfs/dbraw/zinc/31/98/44/569319844.db2.gz ORGNAAHSYOFZIO-UHFFFAOYSA-N 0 0 421.254 5.505 50 30 HKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccccc1O ZINC000252679682 569319858 /nfs/dbraw/zinc/31/98/58/569319858.db2.gz PYHYGDFUCWUCPG-UHFFFAOYSA-N 0 0 423.303 6.145 50 30 HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000252693885 519757186 /nfs/dbraw/zinc/75/71/86/519757186.db2.gz GUHOJWMKULSAET-WUIGYTNCSA-N 0 0 418.577 6.300 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000252694436 525349669 /nfs/dbraw/zinc/34/96/69/525349669.db2.gz KPMMIZLQECJQJE-AXDQOVJNSA-N 0 0 407.554 6.590 50 30 biogenic HKEARN 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 ZINC000252694489 519645537 /nfs/dbraw/zinc/64/55/37/519645537.db2.gz LINVVMHRTUSXHL-RKGVQJRJSA-N 0 0 400.647 6.712 50 30 biogenic HKEARN 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 ZINC000252694577 569320187 /nfs/dbraw/zinc/32/01/87/569320187.db2.gz MRTBVEZPPZIQIP-INTQWDFFSA-N 0 0 400.603 6.114 50 30 biogenic HKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252694785 569320267 /nfs/dbraw/zinc/32/02/67/569320267.db2.gz PYLBSMLISGOFKG-RBWXGHOXSA-N 0 0 418.577 6.144 50 30 HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252694786 519757037 /nfs/dbraw/zinc/75/70/37/519757037.db2.gz PYLBSMLISGOFKG-WGOCTFBFSA-N 0 0 418.577 6.144 50 30 HKEARN O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@@]1(O)O[C@H]2c1ccc(F)cc1 ZINC000252695301 569320287 /nfs/dbraw/zinc/32/02/87/569320287.db2.gz XZPGAROSGKQXQY-PNPSHDQYSA-N 0 0 424.487 5.738 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccc(F)cc1 ZINC000253369268 569364586 /nfs/dbraw/zinc/36/45/86/569364586.db2.gz AMLPMOKTYSXKFI-NTSCEXTMSA-N 0 0 408.561 5.924 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N=C/c1ccc(F)cc1 ZINC000253369269 569364721 /nfs/dbraw/zinc/36/47/21/569364721.db2.gz AMLPMOKTYSXKFI-YUGPNNDWSA-N 0 0 408.561 5.924 50 30 HKEARN 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 ZINC000253369864 569364649 /nfs/dbraw/zinc/36/46/49/569364649.db2.gz IYRSSYWRXNNHCW-ZBKYFBKKSA-N 0 0 413.558 5.356 50 30 biogenic HKEARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253370375 569372864 /nfs/dbraw/zinc/37/28/64/569372864.db2.gz QAZWWNKLOZAMBB-QAPNFAHWSA-N 0 0 410.602 5.003 50 30 HKEARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253370376 569372983 /nfs/dbraw/zinc/37/29/83/569372983.db2.gz QAZWWNKLOZAMBB-ZHQWETSOSA-N 0 0 410.602 5.003 50 30 HKEARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C ZINC000253370998 569372964 /nfs/dbraw/zinc/37/29/64/569372964.db2.gz ZHLQDHFHQIQYGH-UTJWUASRSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C ZINC000253370999 569372981 /nfs/dbraw/zinc/37/29/81/569372981.db2.gz ZHLQDHFHQIQYGH-YECUQLLJSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000253371046 569372880 /nfs/dbraw/zinc/37/28/80/569372880.db2.gz ZXGJYVCSCCHJLY-OWZOXORWSA-N 0 0 410.602 5.177 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000253371047 569372932 /nfs/dbraw/zinc/37/29/32/569372932.db2.gz ZXGJYVCSCCHJLY-SGRMKLIJSA-N 0 0 410.602 5.177 50 30 HKEARN C=C(C)[C@@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)[C@]1(C)CCC(=O)OC ZINC000253387983 569364896 /nfs/dbraw/zinc/36/48/96/569364896.db2.gz OAUDKNYNNMXLHJ-STWLZBDKSA-N 0 0 410.510 5.290 50 30 biogenic HKEARN COc1cccc(/C=C2\C[C@H](C)C/C(=C/c3cccc(OC)c3OC)C2=O)c1OC ZINC000253388555 569372908 /nfs/dbraw/zinc/37/29/08/569372908.db2.gz HXOBWMNNIIDPGU-BGVDWQIYSA-N 0 0 408.494 5.187 50 30 HKEARN COc1cccc(/C=C2\C[C@@H](C)C/C(=C/c3cccc(OC)c3OC)C2=O)c1OC ZINC000253388556 569364967 /nfs/dbraw/zinc/36/49/67/569364967.db2.gz HXOBWMNNIIDPGU-GUADBCJISA-N 0 0 408.494 5.187 50 30 HKEARN CCn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)c(C)n1 ZINC000253390700 523309445 /nfs/dbraw/zinc/30/94/45/523309445.db2.gz GSVVJZATHITTBT-WOGWFSBQSA-N 0 0 404.558 5.248 50 30 HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1ccnc2ccccc21)CC(=O)O3 ZINC000253397774 527124783 /nfs/dbraw/zinc/12/47/83/527124783.db2.gz BQKXJCBALVIMOT-FVHJOOJJSA-N 0 0 419.436 5.292 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](c1ccnc2ccccc21)CC(=O)O3 ZINC000253397778 569365318 /nfs/dbraw/zinc/36/53/18/569365318.db2.gz BQKXJCBALVIMOT-SPMKTWQFSA-N 0 0 419.436 5.292 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O3 ZINC000253405747 569366029 /nfs/dbraw/zinc/36/60/29/569366029.db2.gz ILEQBUHRMHWIHM-HSGPEQJXSA-N 0 0 418.832 5.103 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O3 ZINC000253405748 569365963 /nfs/dbraw/zinc/36/59/63/569365963.db2.gz ILEQBUHRMHWIHM-OBLBUWMUSA-N 0 0 418.832 5.103 50 30 biogenic HKEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1c(F)cccc1Cl)C3=O ZINC000253410735 569389056 /nfs/dbraw/zinc/38/90/56/569389056.db2.gz NRHMAKIGSMVRKB-HIPMGEKLSA-N 0 0 400.833 5.534 50 30 HKEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1c(F)cccc1Cl)C3=O ZINC000253410736 519405687 /nfs/dbraw/zinc/40/56/87/519405687.db2.gz NRHMAKIGSMVRKB-XACIZNRCSA-N 0 0 400.833 5.534 50 30 HKEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cn(C)c2ccccc12)C3=O ZINC000253410856 519404313 /nfs/dbraw/zinc/40/43/13/519404313.db2.gz NVZCDNBSPFVNGG-SYZMQFJCSA-N 0 0 401.462 5.233 50 30 biogenic HKEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cn(C)c2ccccc12)C3=O ZINC000253410857 569366559 /nfs/dbraw/zinc/36/65/59/569366559.db2.gz NVZCDNBSPFVNGG-ZGFXFUDXSA-N 0 0 401.462 5.233 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1ccc(-c2ccccc2)o1)CC(=O)O3 ZINC000253413009 527126380 /nfs/dbraw/zinc/12/63/80/527126380.db2.gz SSVMVMPIYHXXDF-FPJJECCMSA-N 0 0 424.408 5.597 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1ccc(-c2ccccc2)o1)CC(=O)O3 ZINC000253413010 569366717 /nfs/dbraw/zinc/36/67/17/569366717.db2.gz SSVMVMPIYHXXDF-QLTNSANVSA-N 0 0 424.408 5.597 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](C1=Cc2ccccc2OC1)CC(=O)O3 ZINC000253413472 569366739 /nfs/dbraw/zinc/36/67/39/569366739.db2.gz UWCRJZLHOVDWAK-BIFQTZPZSA-N 0 0 422.436 5.172 50 30 biogenic HKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](C1=Cc2ccccc2OC1)CC(=O)O3 ZINC000253413473 569366911 /nfs/dbraw/zinc/36/69/11/569366911.db2.gz UWCRJZLHOVDWAK-BRTCBXNNSA-N 0 0 422.436 5.172 50 30 biogenic HKEARN CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccco2)C2=C(CCCC2=O)N1 ZINC000253476143 569373056 /nfs/dbraw/zinc/37/30/56/569373056.db2.gz GGTYQECCGLBHGS-FQEVSTJZSA-N 0 0 417.292 5.193 50 30 in-vitro HKEARN CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 ZINC000253476144 520802077 /nfs/dbraw/zinc/80/20/77/520802077.db2.gz GGTYQECCGLBHGS-HXUWFJFHSA-N 0 0 417.292 5.193 50 30 in-vitro HKEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N ZINC000253481454 569381675 /nfs/dbraw/zinc/38/16/75/569381675.db2.gz FCHYYVSVOWMWIH-UHFFFAOYSA-N 0 0 415.280 5.421 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000253495524 569373580 /nfs/dbraw/zinc/37/35/80/569373580.db2.gz HPFVBGJFAYZEBE-ANKXWIDRSA-N 0 0 412.614 6.401 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC1CCCC1 ZINC000253495525 569373598 /nfs/dbraw/zinc/37/35/98/569373598.db2.gz HPFVBGJFAYZEBE-ZKESZXJYSA-N 0 0 412.614 6.401 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000253497808 569382075 /nfs/dbraw/zinc/38/20/75/569382075.db2.gz CNJPGFFQFAETRQ-AVLFTBCPSA-N 0 0 410.985 6.226 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000253497809 569382018 /nfs/dbraw/zinc/38/20/18/569382018.db2.gz CNJPGFFQFAETRQ-JUOXFRPISA-N 0 0 410.985 6.226 50 30 HKEARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253497823 569381996 /nfs/dbraw/zinc/38/19/96/569381996.db2.gz ISQVBKWANUTMNE-KTDCGVAWSA-N 0 0 408.582 5.661 50 30 biogenic HKEARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253497824 523410727 /nfs/dbraw/zinc/41/07/27/523410727.db2.gz ISQVBKWANUTMNE-NTMJCCISSA-N 0 0 408.582 5.661 50 30 biogenic HKEARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497825 569382073 /nfs/dbraw/zinc/38/20/73/569382073.db2.gz ISQVBKWANUTMNE-OMVRMBGESA-N 0 0 408.582 5.661 50 30 biogenic HKEARN COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497826 569382050 /nfs/dbraw/zinc/38/20/50/569382050.db2.gz ISQVBKWANUTMNE-RACHXHOOSA-N 0 0 408.582 5.661 50 30 biogenic HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497834 522131270 /nfs/dbraw/zinc/13/12/70/522131270.db2.gz MNCABEXSEDNYIM-FBJOWQHBSA-N 0 0 421.625 5.719 50 30 biogenic HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253497835 569382072 /nfs/dbraw/zinc/38/20/72/569382072.db2.gz MNCABEXSEDNYIM-VRPVHDIJSA-N 0 0 421.625 5.719 50 30 biogenic HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253497836 522131366 /nfs/dbraw/zinc/13/13/66/522131366.db2.gz MNCABEXSEDNYIM-XMAHMTFUSA-N 0 0 421.625 5.719 50 30 biogenic HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497837 522130382 /nfs/dbraw/zinc/13/03/82/522130382.db2.gz MNCABEXSEDNYIM-XXIYKPGLSA-N 0 0 421.625 5.719 50 30 biogenic HKEARN CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497838 569381982 /nfs/dbraw/zinc/38/19/82/569381982.db2.gz NJWYLVQOSGELIN-HRCZHRILSA-N 0 0 420.637 6.776 50 30 HKEARN CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253497839 519834320 /nfs/dbraw/zinc/83/43/20/519834320.db2.gz NJWYLVQOSGELIN-YMFOBQBQSA-N 0 0 420.637 6.776 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000253497840 569381984 /nfs/dbraw/zinc/38/19/84/569381984.db2.gz OCCYLBDLKHPVGI-VIGAEKBYSA-N 0 0 413.001 6.306 50 30 biogenic HKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O ZINC000253497841 569382068 /nfs/dbraw/zinc/38/20/68/569382068.db2.gz OCCYLBDLKHPVGI-XUKXVKOTSA-N 0 0 413.001 6.306 50 30 biogenic HKEARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@]4(C)CC(=O)/C(=C/c5ccccc5)C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000253497942 569373595 /nfs/dbraw/zinc/37/35/95/569373595.db2.gz PKVGSSXTDXHOQC-AORJPHAXSA-N 0 0 406.610 6.433 50 30 HKEARN C[C@]1(O)CC[C@H]2[C@H]3CC[C@@]4(C)CC(=O)/C(=C/c5ccccc5)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253497943 569373605 /nfs/dbraw/zinc/37/36/05/569373605.db2.gz PKVGSSXTDXHOQC-AXJFZEKZSA-N 0 0 406.610 6.433 50 30 HKEARN C[C@]1(O)CC[C@H]2[C@H]3CC[C@@]4(C)CC(=O)/C(=C/c5ccccc5)C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000253497944 569373683 /nfs/dbraw/zinc/37/36/83/569373683.db2.gz PKVGSSXTDXHOQC-QXCRQAAWSA-N 0 0 406.610 6.433 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000253498224 525349160 /nfs/dbraw/zinc/34/91/60/525349160.db2.gz XNIHMWPAFYIFGK-MXBIBTSJSA-N 0 0 410.985 6.226 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000253498225 569382130 /nfs/dbraw/zinc/38/21/30/569382130.db2.gz XNIHMWPAFYIFGK-WXZVTNQSSA-N 0 0 410.985 6.226 50 30 biogenic HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253498462 569373755 /nfs/dbraw/zinc/37/37/55/569373755.db2.gz QGVQZRDQPDLHHV-GWNZPOIFSA-N 0 0 402.732 8.326 50 30 biogenic HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253498463 519648557 /nfs/dbraw/zinc/64/85/57/519648557.db2.gz QGVQZRDQPDLHHV-IQJYFGLXSA-N 0 0 402.732 8.326 50 30 biogenic HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253498464 519645886 /nfs/dbraw/zinc/64/58/86/519645886.db2.gz QGVQZRDQPDLHHV-REBUVGRLSA-N 0 0 402.732 8.326 50 30 biogenic HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000253498496 569381872 /nfs/dbraw/zinc/38/18/72/569381872.db2.gz AMLPMOKTYSXKFI-CPCGAROUSA-N 0 0 408.561 5.924 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000253498500 569381960 /nfs/dbraw/zinc/38/19/60/569381960.db2.gz AMLPMOKTYSXKFI-XBJDRHFNSA-N 0 0 408.561 5.924 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000253498596 569381916 /nfs/dbraw/zinc/38/19/16/569381916.db2.gz UMTNXSOYNXUORQ-FEENNDGDSA-N 0 0 406.570 6.043 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000253498597 525914685 /nfs/dbraw/zinc/91/46/85/525914685.db2.gz UMTNXSOYNXUORQ-VXPQXHNDSA-N 0 0 406.570 6.043 50 30 HKEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000253498649 569381958 /nfs/dbraw/zinc/38/19/58/569381958.db2.gz HHSXYDOROIURIP-YBMGUYPWSA-N 0 0 420.593 6.063 50 30 biogenic HKEARN Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 ZINC000253498766 569381898 /nfs/dbraw/zinc/38/18/98/569381898.db2.gz RHCQKTVYOJLSRN-DCRGHNIZSA-N 0 0 423.641 6.283 50 30 biogenic HKEARN Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1 ZINC000253498767 525333545 /nfs/dbraw/zinc/33/35/45/525333545.db2.gz RHCQKTVYOJLSRN-MQEIRJTCSA-N 0 0 423.641 6.283 50 30 biogenic HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000253499420 569382142 /nfs/dbraw/zinc/38/21/42/569382142.db2.gz GUHOJWMKULSAET-SKWSRTDQSA-N 0 0 418.577 6.300 50 30 biogenic HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499421 569382175 /nfs/dbraw/zinc/38/21/75/569382175.db2.gz GUHOJWMKULSAET-ULXNZBPTSA-N 0 0 418.577 6.300 50 30 biogenic HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499422 569382148 /nfs/dbraw/zinc/38/21/48/569382148.db2.gz GUHOJWMKULSAET-VWPJXBASSA-N 0 0 418.577 6.300 50 30 biogenic HKEARN 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 ZINC000253499664 525913644 /nfs/dbraw/zinc/91/36/44/525913644.db2.gz KPMMIZLQECJQJE-PVLICHLNSA-N 0 0 407.554 6.590 50 30 biogenic HKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000253499666 569382169 /nfs/dbraw/zinc/38/21/69/569382169.db2.gz KPMMIZLQECJQJE-ZXJFKYCISA-N 0 0 407.554 6.590 50 30 biogenic HKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253499684 569382150 /nfs/dbraw/zinc/38/21/50/569382150.db2.gz PYLBSMLISGOFKG-AHHXBFDFSA-N 0 0 418.577 6.144 50 30 HKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253499686 569382111 /nfs/dbraw/zinc/38/21/11/569382111.db2.gz PYLBSMLISGOFKG-YBRWTATJSA-N 0 0 418.577 6.144 50 30 HKEARN 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 ZINC000253499708 569382178 /nfs/dbraw/zinc/38/21/78/569382178.db2.gz MRTBVEZPPZIQIP-DXTSZTKTSA-N 0 0 400.603 6.114 50 30 biogenic HKEARN 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 ZINC000253499710 569382138 /nfs/dbraw/zinc/38/21/38/569382138.db2.gz MRTBVEZPPZIQIP-PLWVSVQUSA-N 0 0 400.603 6.114 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000253500017 525347902 /nfs/dbraw/zinc/34/79/02/525347902.db2.gz UBWXUGDQUBIEIZ-GJJCJTOHSA-N 0 0 406.566 5.673 50 30 biogenic HKEARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000253500018 569373764 /nfs/dbraw/zinc/37/37/64/569373764.db2.gz UBWXUGDQUBIEIZ-YOBXIELGSA-N 0 0 406.566 5.673 50 30 biogenic HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500133 569382253 /nfs/dbraw/zinc/38/22/53/569382253.db2.gz XKCSBVSQDYCBQX-FAPMZXSWSA-N 0 0 402.732 8.614 50 30 biogenic HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253500134 569382230 /nfs/dbraw/zinc/38/22/30/569382230.db2.gz XKCSBVSQDYCBQX-GYQGNHIISA-N 0 0 402.732 8.614 50 30 biogenic HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500135 569382223 /nfs/dbraw/zinc/38/22/23/569382223.db2.gz XKCSBVSQDYCBQX-IHRGHTGTSA-N 0 0 402.732 8.614 50 30 biogenic HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253500136 569382239 /nfs/dbraw/zinc/38/22/39/569382239.db2.gz XKCSBVSQDYCBQX-KESVPZOVSA-N 0 0 402.732 8.614 50 30 biogenic HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000253500771 569373753 /nfs/dbraw/zinc/37/37/53/569373753.db2.gz XNIHMWPAFYIFGK-LMBKNKKASA-N 0 0 410.985 6.226 50 30 biogenic HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000253500773 525914290 /nfs/dbraw/zinc/91/42/90/525914290.db2.gz XNIHMWPAFYIFGK-ZODQXYEFSA-N 0 0 410.985 6.226 50 30 biogenic HKEARN CN(C)c1ccc(/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)cc1 ZINC000253501283 569382196 /nfs/dbraw/zinc/38/21/96/569382196.db2.gz KHWMMNOVUASODC-CKBKDOCISA-N 0 0 419.609 5.639 50 30 HKEARN CN(C)c1ccc(/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)cc1 ZINC000253501285 569382229 /nfs/dbraw/zinc/38/22/29/569382229.db2.gz KHWMMNOVUASODC-SZGVFPSQSA-N 0 0 419.609 5.639 50 30 HKEARN COc1ccc(/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)cc1 ZINC000253501288 569373777 /nfs/dbraw/zinc/37/37/77/569373777.db2.gz LFBOEUGQWILAMO-JOWMMFIVSA-N 0 0 406.566 5.581 50 30 HKEARN COc1ccc(/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)cc1 ZINC000253501291 569373720 /nfs/dbraw/zinc/37/37/20/569373720.db2.gz LFBOEUGQWILAMO-PPPPCNMMSA-N 0 0 406.566 5.581 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000253501293 525914559 /nfs/dbraw/zinc/91/45/59/525914559.db2.gz LGWMHNQKTCVZTP-LMBKNKKASA-N 0 0 421.537 5.481 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000253501298 525913457 /nfs/dbraw/zinc/91/34/57/525913457.db2.gz LGWMHNQKTCVZTP-ZODQXYEFSA-N 0 0 421.537 5.481 50 30 HKEARN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501715 569382206 /nfs/dbraw/zinc/38/22/06/569382206.db2.gz GRBHNQFQFHLCHO-AAISOKCWSA-N 0 0 424.713 8.233 50 30 HKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501718 569382240 /nfs/dbraw/zinc/38/22/40/569382240.db2.gz GRBHNQFQFHLCHO-AVWRUXABSA-N 0 0 424.713 8.233 50 30 HKEARN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501721 569382248 /nfs/dbraw/zinc/38/22/48/569382248.db2.gz GRBHNQFQFHLCHO-FOPNINSWSA-N 0 0 424.713 8.233 50 30 HKEARN C=C(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501723 569382251 /nfs/dbraw/zinc/38/22/51/569382251.db2.gz GRBHNQFQFHLCHO-YNTGQNGVSA-N 0 0 424.713 8.233 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000253501724 569058266 /nfs/dbraw/zinc/05/82/66/569058266.db2.gz HHSXYDOROIURIP-NHXMFORASA-N 0 0 420.593 6.063 50 30 HKEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCc1ccccc1 ZINC000253501727 569373783 /nfs/dbraw/zinc/37/37/83/569373783.db2.gz HHSXYDOROIURIP-VMKOWJTOSA-N 0 0 420.593 6.063 50 30 HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253502284 569373891 /nfs/dbraw/zinc/37/38/91/569373891.db2.gz XKCSBVSQDYCBQX-HZQNYVKJSA-N 0 0 402.732 8.614 50 30 HKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253502289 520048323 /nfs/dbraw/zinc/04/83/23/520048323.db2.gz XKCSBVSQDYCBQX-SKXJYMGUSA-N 0 0 402.732 8.614 50 30 HKEARN 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 ZINC000253503555 569373850 /nfs/dbraw/zinc/37/38/50/569373850.db2.gz DRNZIQCLIKZYPJ-FDDVIHPXSA-N 0 0 422.613 5.406 50 30 biogenic HKEARN 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 ZINC000253503559 569373868 /nfs/dbraw/zinc/37/38/68/569373868.db2.gz DRNZIQCLIKZYPJ-IOHKATLUSA-N 0 0 422.613 5.406 50 30 biogenic HKEARN 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 ZINC000253503569 569373884 /nfs/dbraw/zinc/37/38/84/569373884.db2.gz IKSAIBRTZFZGMG-HTGRTTPDSA-N 0 0 408.586 5.098 50 30 biogenic HKEARN 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 ZINC000253503571 569373851 /nfs/dbraw/zinc/37/38/51/569373851.db2.gz IKSAIBRTZFZGMG-YYTKOELOSA-N 0 0 408.586 5.098 50 30 biogenic HKEARN CCn1ncc(/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 ZINC000253503642 569373858 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CCn1nc(C)c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)c1C ZINC000253508596 569373856 /nfs/dbraw/zinc/37/38/56/569373856.db2.gz ZHLQDHFHQIQYGH-YWKYWFJDSA-N 0 0 424.629 5.486 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000253508599 569373859 /nfs/dbraw/zinc/37/38/59/569373859.db2.gz ZXGJYVCSCCHJLY-GBIRDESUSA-N 0 0 410.602 5.177 50 30 HKEARN CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000253508601 569373849 /nfs/dbraw/zinc/37/38/49/569373849.db2.gz ZXGJYVCSCCHJLY-KGSDGYEFSA-N 0 0 410.602 5.177 50 30 HKEARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253528841 569382460 /nfs/dbraw/zinc/38/24/60/569382460.db2.gz GQZPOAUVKZAMQR-IJCXZKDTSA-N 0 0 406.610 7.081 50 30 HKEARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253528844 569382502 /nfs/dbraw/zinc/38/25/02/569382502.db2.gz GQZPOAUVKZAMQR-JBWAWTCQSA-N 0 0 406.610 7.081 50 30 HKEARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253528846 569382475 /nfs/dbraw/zinc/38/24/75/569382475.db2.gz GQZPOAUVKZAMQR-OKYCHAGGSA-N 0 0 406.610 7.081 50 30 HKEARN CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253528849 569382443 /nfs/dbraw/zinc/38/24/43/569382443.db2.gz GQZPOAUVKZAMQR-OPGRQVCOSA-N 0 0 406.610 7.081 50 30 HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000253528863 569382625 /nfs/dbraw/zinc/38/26/25/569382625.db2.gz VIELWYIXEODCTJ-IJCXZKDTSA-N 0 0 405.626 6.748 50 30 HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253528864 522132842 /nfs/dbraw/zinc/13/28/42/522132842.db2.gz VIELWYIXEODCTJ-JBWAWTCQSA-N 0 0 405.626 6.748 50 30 HKEARN CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000253528865 522132963 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C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O ZINC000253531415 569382640 /nfs/dbraw/zinc/38/26/40/569382640.db2.gz LGWMHNQKTCVZTP-PPEUYNDOSA-N 0 0 421.537 5.481 50 30 HKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O ZINC000253531417 569382627 /nfs/dbraw/zinc/38/26/27/569382627.db2.gz LGWMHNQKTCVZTP-PRLLZILLSA-N 0 0 421.537 5.481 50 30 HKEARN CCn1ncc(/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 ZINC000253531656 523689313 /nfs/dbraw/zinc/68/93/13/523689313.db2.gz YBVXROOOLSXZHU-QFNARLHGSA-N 0 0 408.586 5.098 50 30 HKEARN 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 ZINC000253531748 569382653 /nfs/dbraw/zinc/38/26/53/569382653.db2.gz IKSAIBRTZFZGMG-QFNARLHGSA-N 0 0 408.586 5.098 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531995 519645573 /nfs/dbraw/zinc/64/55/73/519645573.db2.gz FAODDNXUWZRRDC-GWNZPOIFSA-N 0 0 402.732 8.326 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531996 569382724 /nfs/dbraw/zinc/38/27/24/569382724.db2.gz FAODDNXUWZRRDC-IQJYFGLXSA-N 0 0 402.732 8.326 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531997 569382717 /nfs/dbraw/zinc/38/27/17/569382717.db2.gz FAODDNXUWZRRDC-REBUVGRLSA-N 0 0 402.732 8.326 50 30 HKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253532024 569382703 /nfs/dbraw/zinc/38/27/03/569382703.db2.gz LVYGYHKQJHFGNS-IRBMAWCRSA-N 0 0 413.646 7.037 50 30 HKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=NO)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253532025 569382695 /nfs/dbraw/zinc/38/26/95/569382695.db2.gz LVYGYHKQJHFGNS-QXKHOGSXSA-N 0 0 413.646 7.037 50 30 HKEARN 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CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000328590032 518800013 /nfs/dbraw/zinc/80/00/13/518800013.db2.gz XHICQZJXGCPNDU-UHFFFAOYSA-N 0 0 416.896 5.121 50 30 HKEARN CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000328590062 569414927 /nfs/dbraw/zinc/41/49/27/569414927.db2.gz WJWSARRACJJLKZ-KRWDZBQOSA-N 0 0 424.488 5.009 50 30 HKEARN CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000328590063 569414857 /nfs/dbraw/zinc/41/48/57/569414857.db2.gz WJWSARRACJJLKZ-QGZVFWFLSA-N 0 0 424.488 5.009 50 30 HKEARN CCCCCCCC[C@H](O)CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000328590141 520047993 /nfs/dbraw/zinc/04/79/93/520047993.db2.gz PDXABCRTLLJTCS-DEOSSOPVSA-N 0 0 418.622 5.244 50 30 HKEARN CCCCCCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000328590142 569414852 /nfs/dbraw/zinc/41/48/52/569414852.db2.gz PDXABCRTLLJTCS-XMMPIXPASA-N 0 0 418.622 5.244 50 30 HKEARN O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1nc2cccnc2[nH]1 ZINC000328590179 569414895 /nfs/dbraw/zinc/41/48/95/569414895.db2.gz OZZGNBCDYYBRMR-UHFFFAOYSA-N 0 0 409.342 5.087 50 30 HKEARN COCCNC(=O)c1ccc(NCc2ccc(-c3ccc(F)cc3C)o2)cc1Cl ZINC000328590523 569415015 /nfs/dbraw/zinc/41/50/15/569415015.db2.gz ZJPSFQVSLYFBGH-UHFFFAOYSA-N 0 0 416.880 5.611 50 30 HKEARN COc1ccc([C@H](CNC(=O)C2(C)COC(C)(C)OC2)c2c[nH]c3ccccc32)cc1 ZINC000328591131 569415050 /nfs/dbraw/zinc/41/50/50/569415050.db2.gz AFRAQHQCUGIVRG-FQEVSTJZSA-N 0 0 422.525 5.054 50 30 HKEARN COc1ccc([C@@H](CNC(=O)C2(C)COC(C)(C)OC2)c2c[nH]c3ccccc32)cc1 ZINC000328591132 569415067 /nfs/dbraw/zinc/41/50/67/569415067.db2.gz AFRAQHQCUGIVRG-HXUWFJFHSA-N 0 0 422.525 5.054 50 30 HKEARN CCSc1ccc(Cl)cc1C(=O)Nc1ccc(I)cn1 ZINC000328591346 569415017 /nfs/dbraw/zinc/41/50/17/569415017.db2.gz MIVLULLODVBBLB-UHFFFAOYSA-N 0 0 418.687 5.088 50 30 HKEARN CCOc1ccccc1OCCCC(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000328591370 521564828 /nfs/dbraw/zinc/56/48/28/521564828.db2.gz RVEXZCLWIBSELZ-UHFFFAOYSA-N 0 0 400.475 5.203 50 30 HKEARN Cc1csc(SCc2c3ccccc3oc2C(=O)NCCN2CC=CCC2)n1 ZINC000328591402 569414993 /nfs/dbraw/zinc/41/49/93/569414993.db2.gz FJALHTJQLNQOOX-UHFFFAOYSA-N 0 0 413.568 5.057 50 30 HKEARN COc1cc(C(=O)Nc2cccc(NCC(F)(F)F)c2)ccc1OC1CCCC1 ZINC000328591433 569415069 /nfs/dbraw/zinc/41/50/69/569415069.db2.gz UECGJCSFLDSPMR-UHFFFAOYSA-N 0 0 408.420 5.627 50 30 HKEARN O=C(Nc1nc2ccc(Cl)nc2s1)c1nc(Br)sc1C1CC1 ZINC000328591434 569414987 /nfs/dbraw/zinc/41/49/87/569414987.db2.gz UIJFHXWDWATPRC-UHFFFAOYSA-N 0 0 415.725 5.077 50 30 HKEARN O=C(CCCOc1ccccc1F)Nc1c(O)cc(Br)cc1Cl ZINC000328591926 569415102 /nfs/dbraw/zinc/41/51/02/569415102.db2.gz CBPIPLNCVIOOGC-UHFFFAOYSA-N 0 0 402.647 5.394 50 30 HKEARN CCc1ccccc1CC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000328592225 521815213 /nfs/dbraw/zinc/81/52/13/521815213.db2.gz SGKSCTRMSBVBJG-HNNXBMFYSA-N 0 0 420.347 5.033 50 30 HKEARN CCc1ccccc1CC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC000328592226 569415267 /nfs/dbraw/zinc/41/52/67/569415267.db2.gz SGKSCTRMSBVBJG-OAHLLOKOSA-N 0 0 420.347 5.033 50 30 HKEARN O=C(Nc1ccccc1)[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328592426 569415422 /nfs/dbraw/zinc/41/54/22/569415422.db2.gz GHAVCKWZTHAZRW-AREMUKBSSA-N 0 0 421.496 6.391 50 30 HKEARN O=C(Nc1ccccc1)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328592427 569415374 /nfs/dbraw/zinc/41/53/74/569415374.db2.gz GHAVCKWZTHAZRW-SANMLTNESA-N 0 0 421.496 6.391 50 30 HKEARN CC[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592432 569415344 /nfs/dbraw/zinc/41/53/44/569415344.db2.gz HOTNVFPULYJPDH-FCHUYYIVSA-N 0 0 416.477 5.343 50 30 HKEARN CC[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592433 569415450 /nfs/dbraw/zinc/41/54/50/569415450.db2.gz HOTNVFPULYJPDH-VXKWHMMOSA-N 0 0 416.477 5.343 50 30 HKEARN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000328593217 569415508 /nfs/dbraw/zinc/41/55/08/569415508.db2.gz JWVSCTXULYSFRP-HNNXBMFYSA-N 0 0 403.523 5.025 50 30 HKEARN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000328593218 569415516 /nfs/dbraw/zinc/41/55/16/569415516.db2.gz JWVSCTXULYSFRP-OAHLLOKOSA-N 0 0 403.523 5.025 50 30 HKEARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000328593327 569415498 /nfs/dbraw/zinc/41/54/98/569415498.db2.gz UCEDJTYTKQHCPF-UHFFFAOYSA-N 0 0 403.457 5.448 50 30 HKEARN O=C(CCc1ccc(OC(F)F)cc1)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000328593624 569415524 /nfs/dbraw/zinc/41/55/24/569415524.db2.gz PJRCKDKFROUXRZ-UHFFFAOYSA-N 0 0 411.452 5.709 50 30 HKEARN CC(C)n1ncnc1CNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000328593652 520130031 /nfs/dbraw/zinc/13/00/31/520130031.db2.gz SUWZFKHTQFPNMA-UHFFFAOYSA-N 0 0 405.477 5.236 50 30 HKEARN Cc1cc(NC(=O)c2ccc(Cl)cc2C)c(C(=O)NCC(F)(F)F)cc1F ZINC000328594143 569415665 /nfs/dbraw/zinc/41/56/65/569415665.db2.gz UZSFCVQXDXLNOI-UHFFFAOYSA-N 0 0 402.775 5.599 50 30 HKEARN O=C(NCCc1ccc(Br)s1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000328594203 569415764 /nfs/dbraw/zinc/41/57/64/569415764.db2.gz YSIBMMYYNCOJRD-UHFFFAOYSA-N 0 0 424.103 5.273 50 30 HKEARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000328594873 569415841 /nfs/dbraw/zinc/41/58/41/569415841.db2.gz FDSJBWMJGGQHFD-UHFFFAOYSA-N 0 0 420.893 5.154 50 30 HKEARN Cc1cc(-c2csc(NC(=O)NCc3nnc(-c4ccccc4)s3)n2)c(C)o1 ZINC000328595803 569416077 /nfs/dbraw/zinc/41/60/77/569416077.db2.gz FHBQJJNUSWJSHJ-UHFFFAOYSA-N 0 0 411.512 5.065 50 30 HKEARN CC(/C=C1/SC[C@@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(C)cc1 ZINC000334157267 569385103 /nfs/dbraw/zinc/38/51/03/569385103.db2.gz IEBIIHJNKUTDNK-KSMKOVOTSA-N 0 0 400.547 6.028 50 30 HKEARN CC(/C=C1\SC[C@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(C)cc1 ZINC000334157269 569385146 /nfs/dbraw/zinc/38/51/46/569385146.db2.gz IEBIIHJNKUTDNK-UGFUJNMESA-N 0 0 400.547 6.028 50 30 HKEARN CC(/C=C1\SC[C@@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(C)cc1 ZINC000334157270 569385123 /nfs/dbraw/zinc/38/51/23/569385123.db2.gz IEBIIHJNKUTDNK-ZEVZWAINSA-N 0 0 400.547 6.028 50 30 HKEARN CC(/C=C1\SC[C@@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(Cl)cc1 ZINC000334157283 569385096 /nfs/dbraw/zinc/38/50/96/569385096.db2.gz XURRGUZBFQVIBB-LNYSJBLASA-N 0 0 420.965 6.373 50 30 HKEARN CC(/C=C1/SC[C@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(Cl)cc1 ZINC000334157284 569385139 /nfs/dbraw/zinc/38/51/39/569385139.db2.gz XURRGUZBFQVIBB-OAYYZINKSA-N 0 0 420.965 6.373 50 30 HKEARN CC(/C=C1/SC[C@@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(Cl)cc1 ZINC000334157285 569385105 /nfs/dbraw/zinc/38/51/05/569385105.db2.gz XURRGUZBFQVIBB-VIBVHATJSA-N 0 0 420.965 6.373 50 30 HKEARN CC(/C=C1\SC[C@](O)(c2ccccc2)N1c1ccccc1)=Nc1ccc(Cl)cc1 ZINC000334157286 569385118 /nfs/dbraw/zinc/38/51/18/569385118.db2.gz XURRGUZBFQVIBB-WACQXBGDSA-N 0 0 420.965 6.373 50 30 HKEARN COc1ccc(N=C(C)/C=C2\SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157287 569385093 /nfs/dbraw/zinc/38/50/93/569385093.db2.gz XXOJYMHVEGAQKM-HJQGOJTOSA-N 0 0 416.546 5.728 50 30 HKEARN COc1ccc(N=C(C)/C=C2\SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157288 524448022 /nfs/dbraw/zinc/44/80/22/524448022.db2.gz XXOJYMHVEGAQKM-HUASCCQZSA-N 0 0 416.546 5.728 50 30 HKEARN COc1ccc(N=C(C)/C=C2/SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157289 524448053 /nfs/dbraw/zinc/44/80/53/524448053.db2.gz XXOJYMHVEGAQKM-PSCOCAFQSA-N 0 0 416.546 5.728 50 30 HKEARN COc1ccc(N=C(C)/C=C2/SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157290 569385136 /nfs/dbraw/zinc/38/51/36/569385136.db2.gz XXOJYMHVEGAQKM-QGEWEOHUSA-N 0 0 416.546 5.728 50 30 HKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000334162636 568763863 /nfs/dbraw/zinc/76/38/63/568763863.db2.gz DFYLSUGIPJEFMZ-UHFFFAOYSA-N 0 0 407.926 5.567 50 30 HKEARN C[NH+](C)[C@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000334163044 568763850 /nfs/dbraw/zinc/76/38/50/568763850.db2.gz VCQOPZOLFYNKOT-GOSISDBHSA-N 0 0 418.394 5.086 50 30 HKEARN C[NH+](C)[C@@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000334163045 568763880 /nfs/dbraw/zinc/76/38/80/568763880.db2.gz VCQOPZOLFYNKOT-SFHVURJKSA-N 0 0 418.394 5.086 50 30 HKEARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000334163125 568763919 /nfs/dbraw/zinc/76/39/19/568763919.db2.gz MCUYOQIVITXKJO-VXLYETTFSA-N 0 0 424.927 7.482 50 30 HKEARN CCOc1ccc(N=C(C)/C=C2/SC=C(c3ccccc3)N2c2ccccc2)cc1 ZINC000377833858 571211603 /nfs/dbraw/zinc/21/16/03/571211603.db2.gz OGZFRXYAPBVMRJ-FMYRTUAXSA-N 0 0 412.558 7.271 50 30 HKEARN CCOc1ccc(N=C(C)/C=C2\SC=C(c3ccccc3)N2c2ccccc2)cc1 ZINC000377833859 571211925 /nfs/dbraw/zinc/21/19/25/571211925.db2.gz OGZFRXYAPBVMRJ-WSMLJMLJSA-N 0 0 412.558 7.271 50 30 HKEARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(OC)c1 ZINC000390834846 523418990 /nfs/dbraw/zinc/41/89/90/523418990.db2.gz HOSVWIYDCJVAAO-DCZFQUPTSA-N 0 0 418.533 5.528 50 30 HKEARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000390834907 523306787 /nfs/dbraw/zinc/30/67/87/523306787.db2.gz QCCSDSSHJSJXOL-PPSUFARUSA-N 0 0 406.570 5.306 50 30 HKEARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC ZINC000390834952 523420171 /nfs/dbraw/zinc/42/01/71/523420171.db2.gz VRIDXUUSIISNGC-OAOUFPHRSA-N 0 0 422.609 6.699 50 30 HKEARN O=C(C=Cc1cncc(F)c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000521836536 558944614 /nfs/dbraw/zinc/94/46/14/558944614.db2.gz VVWGPQZBDQVQRC-RMKNXTFCSA-N 0 0 404.828 5.691 50 30 HKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccncc3)CC(=O)O4)C2=O)cc1 ZINC000524730707 559178246 /nfs/dbraw/zinc/17/82/46/559178246.db2.gz TWUDUGCYMFSPLM-CWGWECIMSA-N 0 0 411.457 5.262 50 30 biogenic HKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccncc3)CC(=O)O4)C2=O)cc1 ZINC000524730708 559178259 /nfs/dbraw/zinc/17/82/59/559178259.db2.gz TWUDUGCYMFSPLM-ZWAQGKOVSA-N 0 0 411.457 5.262 50 30 biogenic HKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccnc3)CC(=O)O4)C2=O)cc1 ZINC000524731679 559178678 /nfs/dbraw/zinc/17/86/78/559178678.db2.gz HFGQYYBQZSKXQS-CXFFPLRNSA-N 0 0 411.457 5.262 50 30 biogenic HKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccnc3)CC(=O)O4)C2=O)cc1 ZINC000524731680 559178676 /nfs/dbraw/zinc/17/86/76/559178676.db2.gz HFGQYYBQZSKXQS-YOYPMJMESA-N 0 0 411.457 5.262 50 30 biogenic HKEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1OC(F)F)C3=O ZINC000524733268 559178882 /nfs/dbraw/zinc/17/88/82/559178882.db2.gz CIDQASFPNDOKCJ-FNHQQPGVSA-N 0 0 414.404 5.343 50 30 HKEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1OC(F)F)C3=O ZINC000524733270 559178894 /nfs/dbraw/zinc/17/88/94/559178894.db2.gz CIDQASFPNDOKCJ-KPYNCUPYSA-N 0 0 414.404 5.343 50 30 HKEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NCCc1cccc2ccccc21 ZINC000526052232 559222375 /nfs/dbraw/zinc/22/23/75/559222375.db2.gz HANVMARJYFMNFK-UHFFFAOYSA-N 0 0 403.485 6.098 50 30 HKEARN CN(c1ccccc1)c1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000588039340 569238021 /nfs/dbraw/zinc/23/80/21/569238021.db2.gz DRFCRLBDMDXTCO-UHFFFAOYSA-N 0 0 417.512 6.161 50 30 HKEARN CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)c1 ZINC000606422222 559065987 /nfs/dbraw/zinc/06/59/87/559065987.db2.gz BAXFSYAOMFTUPA-UHFFFAOYSA-N 0 0 413.481 5.108 50 30 HKEARN COc1cccc(CN(Cc2ccco2)c2oc(-c3ccc(Cl)cc3)nc2C#N)c1 ZINC000606422511 559065833 /nfs/dbraw/zinc/06/58/33/559065833.db2.gz ZXYKAPQPZNRKEB-UHFFFAOYSA-N 0 0 419.868 5.675 50 30 HKEARN O=C(c1ccc(Cl)cc1)c1ccc2oc(-c3ccc(Cl)cc3)c3c2c1C(=O)C=C3 ZINC000670417846 568784753 /nfs/dbraw/zinc/78/47/53/568784753.db2.gz SKOMHLCHGJGZFW-UHFFFAOYSA-N 0 0 419.263 6.847 50 30 HKEARN CCN1c2ccccc2S/C1=C/C1=C/C(=C\C=Nc2ccccc2)CC(C)(C)C1 ZINC000685944342 568722605 /nfs/dbraw/zinc/72/26/05/568722605.db2.gz DTDVFFBHBKAYDY-LNERQUSBSA-N 0 0 400.591 7.535 50 30 HKEARN CCN1c2ccccc2S/C1=C\C1=C/C(=C\C=Nc2ccccc2)CC(C)(C)C1 ZINC000685944345 568722578 /nfs/dbraw/zinc/72/25/78/568722578.db2.gz DTDVFFBHBKAYDY-MUDTZFMQSA-N 0 0 400.591 7.535 50 30 HKEARN CCN1c2ccccc2S/C1=C/C1=C/C(=C/C=Nc2ccccc2)CC(C)(C)C1 ZINC000685944346 568722418 /nfs/dbraw/zinc/72/24/18/568722418.db2.gz DTDVFFBHBKAYDY-QYISGSSXSA-N 0 0 400.591 7.535 50 30 HKEARN CCN1c2ccccc2S/C1=C\C1=C/C(=C/C=Nc2ccccc2)CC(C)(C)C1 ZINC000685944347 568722411 /nfs/dbraw/zinc/72/24/11/568722411.db2.gz DTDVFFBHBKAYDY-QYXAYUHHSA-N 0 0 400.591 7.535 50 30 HKEARN CN1c2ccccc2C(C)(C)C1=CC=C1CCC(=CNc2ccc([N+](=O)[O-])cc2)C1=O ZINC000685944411 568722566 /nfs/dbraw/zinc/72/25/66/568722566.db2.gz IWQWKCYOEDKAIW-GYLFGEEQSA-N 0 0 415.493 5.491 50 30 HKEARN CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)O1 ZINC000685944431 568722588 /nfs/dbraw/zinc/72/25/88/568722588.db2.gz LDWOJDLJNNCVAB-UHFFFAOYSA-N 0 0 422.653 8.257 50 30 HKEARN CN(/C=C/C=C/C=C1\CC/C(=C\C=C\C=C\N(C)c2ccccc2)C1=O)c1ccccc1 ZINC000685944583 568722861 /nfs/dbraw/zinc/72/28/61/568722861.db2.gz ONOADASLIPZTQJ-MPWDEDDLSA-N 0 0 422.572 6.615 50 30 HKEARN O=C1c2ccccc2C(=O)C1=C/C=c1\c2cccc3cccc(c23)n1Cc1ccccc1 ZINC000685944753 568722833 /nfs/dbraw/zinc/72/28/33/568722833.db2.gz VCTIPBBAJDWJMS-KOEQRZSOSA-N 0 0 413.476 5.348 50 30 HKEARN CCN1c2ccccc2N(CC)C1=CC1=CC(=C2C(=O)c3ccccc3C2=O)CCC1 ZINC000685944766 568722827 /nfs/dbraw/zinc/72/28/27/568722827.db2.gz WAKBSHXYZQNFDI-UHFFFAOYSA-N 0 0 410.517 5.680 50 30 HKEARN