smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccc(OC)cc3N2CC)C(=O)N1CC ZINC000033656761 127385045 /nfs/dbraw/zinc/38/50/45/127385045.db2.gz IKUWJKBSQMJZHQ-RMEKRLHFSA-N 0 0 479.631 5.383 40 30 JKEBRN CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]4(C)CC[C@H]4C(C)(C)C(=O)CC[C@@]42C)[C@@H]3C1 ZINC000238767465 291567266 /nfs/dbraw/zinc/56/72/66/291567266.db2.gz ATQBPBZOVWXRTA-PNZWHSTPSA-N 0 0 468.678 6.104 40 30 biogenic,in-vitro JKEBRN CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)[C@H]2c2cccc(Br)c2)S1 ZINC000001648872 194130454 /nfs/dbraw/zinc/13/04/54/194130454.db2.gz XMSAFJLUMOZSFM-OAQYLSRUSA-N 0 0 451.389 6.087 40 30 JKEBRN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000001771076 194136793 /nfs/dbraw/zinc/13/67/93/194136793.db2.gz KRGZDSOTIUNKNZ-SNQZOLJRSA-N 0 0 493.028 6.637 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc(Cl)c1O ZINC000002959703 194180989 /nfs/dbraw/zinc/18/09/89/194180989.db2.gz ALJHFZVWFAUCNW-VYYCAZPPSA-N 0 0 454.979 5.675 40 30 JKEBRN COc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCCC3)cc2)c1O ZINC000003068712 194224106 /nfs/dbraw/zinc/22/41/06/194224106.db2.gz GBOOUTDUCJNHIO-SRZZPIQSSA-N 0 0 454.162 5.277 40 30 JKEBRN COc1ccc([C@H]2C(c3nc(-c4ccccc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073419 194224292 /nfs/dbraw/zinc/22/42/92/194224292.db2.gz OQVFPMXQDOMWMA-JOCHJYFZSA-N 0 0 458.583 5.903 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000003082737 194224572 /nfs/dbraw/zinc/22/45/72/194224572.db2.gz JFQQSZJYSHCTBS-CVKSISIWSA-N 0 0 475.298 6.480 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003097628 194225345 /nfs/dbraw/zinc/22/53/45/194225345.db2.gz LESVJWRWXXCJSP-HMAPJEAMSA-N 0 0 461.499 5.074 40 30 JKEBRN CC(C)(C)C1=CC(C2=C[C@@](Cl)(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C[C@@](Cl)(C(C)(C)C)C1=O ZINC000003100864 194225807 /nfs/dbraw/zinc/22/58/07/194225807.db2.gz IVDGXSYXVIWDAE-NSOVKSMOSA-N 0 0 479.532 7.997 40 30 JKEBRN Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3c(O)ccc4ccccc43)c(Cl)cc2Cl)cc1 ZINC000003146169 194231960 /nfs/dbraw/zinc/23/19/60/194231960.db2.gz OYCMWNWVFHXXFL-MZJWZYIUSA-N 0 0 485.392 6.712 40 30 JKEBRN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000003176660 194234660 /nfs/dbraw/zinc/23/46/60/194234660.db2.gz KEHZWXHAWZOJNM-DSNGMDLFSA-N 0 0 480.365 5.733 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000003190954 194236857 /nfs/dbraw/zinc/23/68/57/194236857.db2.gz ZGJCBABPIQNTRU-DHRITJCHSA-N 0 0 451.320 6.421 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O ZINC000003191007 194236971 /nfs/dbraw/zinc/23/69/71/194236971.db2.gz SOKCTUKRUNFKGT-BRJLIKDPSA-N 0 0 451.320 6.339 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O ZINC000003192746 194237146 /nfs/dbraw/zinc/23/71/46/194237146.db2.gz WDSWJYUKDIVEBX-BHGWPJFGSA-N 0 0 457.711 6.376 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c1O ZINC000003206046 194238906 /nfs/dbraw/zinc/23/89/06/194238906.db2.gz WEHWUOOFWNBRHM-DHRITJCHSA-N 0 0 450.288 5.687 40 30 JKEBRN COc1ccc(Br)c(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000003208173 194239318 /nfs/dbraw/zinc/23/93/18/194239318.db2.gz ILERQXIQXABINC-OPEKNORGSA-N 0 0 471.738 6.684 40 30 JKEBRN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000003208235 194239368 /nfs/dbraw/zinc/23/93/68/194239368.db2.gz NMGBRYLCOAPFJD-LGJNPRDNSA-N 0 0 488.297 6.775 40 30 JKEBRN O=C1c2ccc(C=NNc3ccccc3)cc2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 ZINC000004265554 194386702 /nfs/dbraw/zinc/38/67/02/194386702.db2.gz QPXJTMJQELXUCR-JQAMDZJQSA-N 0 0 464.135 6.522 40 30 JKEBRN N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)NC(Cl)=C(Cl)Cl ZINC000004277455 194386978 /nfs/dbraw/zinc/38/69/78/194386978.db2.gz LSCMGXNHNNJXME-OWOJBTEDSA-N 0 0 470.584 5.579 40 30 JKEBRN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C\Sc5ccc(Cl)cc5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004792015 194399957 /nfs/dbraw/zinc/39/99/57/194399957.db2.gz YCERGMPVQGEHRU-YEKQPOKXSA-N 0 0 459.095 7.289 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(C)(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004758278 194395057 /nfs/dbraw/zinc/39/50/57/194395057.db2.gz KTDRRIFHPBRCMS-PGAJIAHISA-N 0 0 466.772 7.453 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000004762577 194396232 /nfs/dbraw/zinc/39/62/32/194396232.db2.gz PIMMQBJFTSQWFM-KTERKQDUSA-N 0 0 499.607 5.452 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000004786527 194398524 /nfs/dbraw/zinc/39/85/24/194398524.db2.gz XQGNXCNTKJGAAO-VYAXVDJTSA-N 0 0 492.399 5.092 40 30 JKEBRN Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C(=O)/C2=C\c2ccccc2)cc1 ZINC000005004203 194402684 /nfs/dbraw/zinc/40/26/84/194402684.db2.gz YONGLBOFWMKHCB-ZXVVBBHZSA-N 0 0 451.547 6.095 40 30 JKEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000006077272 194412025 /nfs/dbraw/zinc/41/20/25/194412025.db2.gz CBNYGKVZZCSOBJ-CJAUYULYSA-N 0 0 471.582 5.152 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000006077213 194411713 /nfs/dbraw/zinc/41/17/13/194411713.db2.gz HBHNGWQCEHHOPY-SSEXGKCCSA-N 0 0 460.577 7.123 40 30 JKEBRN CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCc4ccccc4C#N)cc3)o2)SC1=S ZINC000009235149 194621443 /nfs/dbraw/zinc/62/14/43/194621443.db2.gz CBFYJKCOWQJWJO-CIAFOILYSA-N 0 0 460.536 5.006 40 30 JKEBRN C(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012653208 195077037 /nfs/dbraw/zinc/07/70/37/195077037.db2.gz QGBPGRRSBLYQAI-RDRPBHBLSA-N 0 0 465.578 6.900 40 30 JKEBRN O=[N+]([O-])c1ccccc1/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccn1 ZINC000012660945 195080912 /nfs/dbraw/zinc/08/09/12/195080912.db2.gz OFNNBFFKVPLWCG-CJZUDJPQSA-N 0 0 467.457 5.236 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000020761538 195217851 /nfs/dbraw/zinc/21/78/51/195217851.db2.gz ITAHCUSDAUPDTD-KKMKTNMSSA-N 0 0 479.791 6.367 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(Br)cc1 ZINC000020761631 195217939 /nfs/dbraw/zinc/21/79/39/195217939.db2.gz QKKXJCXKKIAWEU-CVKSISIWSA-N 0 0 469.379 5.559 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000020761669 195218209 /nfs/dbraw/zinc/21/82/09/195218209.db2.gz YAUGWQAOVAOVCU-MZJWZYIUSA-N 0 0 459.373 6.103 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000020762304 195218626 /nfs/dbraw/zinc/21/86/26/195218626.db2.gz FVQWLVRQXCFVCD-RDRPBHBLSA-N 0 0 454.530 5.802 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCc1cccc(C#N)c1 ZINC000020763383 195219163 /nfs/dbraw/zinc/21/91/63/195219163.db2.gz BLSSEIHCKXWEND-RWPZCVJISA-N 0 0 494.389 5.431 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCc1ccc(C)cc1 ZINC000020763373 195219171 /nfs/dbraw/zinc/21/91/71/195219171.db2.gz NTJIDMJGRFRFJF-JFLMPSFJSA-N 0 0 483.406 5.868 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000020763378 195219231 /nfs/dbraw/zinc/21/92/31/195219231.db2.gz RZSOMZBTVNUYCH-RWPZCVJISA-N 0 0 494.389 5.431 40 30 JKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000020763550 195219514 /nfs/dbraw/zinc/21/95/14/195219514.db2.gz RNCLBJXSVQTJMF-WKULSOCRSA-N 0 0 452.385 6.437 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 ZINC000058826693 195380812 /nfs/dbraw/zinc/38/08/12/195380812.db2.gz IVVGVKHHZRLBQH-NUJZUDFISA-N 0 0 499.419 7.467 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1Br ZINC000058826867 195380819 /nfs/dbraw/zinc/38/08/19/195380819.db2.gz HBZPDDSGULRPKV-DICXZTSXSA-N 0 0 483.431 6.079 40 30 JKEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000058865460 195385473 /nfs/dbraw/zinc/38/54/73/195385473.db2.gz TVAGYESEYDLKRJ-XGLKJEJJSA-N 0 0 499.639 5.459 40 30 JKEBRN O=C1CN(Cc2ccccc2)[C@H](c2cccc(Cl)c2Cl)N1/N=C/c1cccc(Cl)c1Cl ZINC000058883890 195386279 /nfs/dbraw/zinc/38/62/79/195386279.db2.gz YAQASGXANLBSOE-QWMPUUBNSA-N 0 0 493.221 6.677 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 ZINC000059099050 195387521 /nfs/dbraw/zinc/38/75/21/195387521.db2.gz GHIFKOPAVPOUKC-VULFUBBASA-N 0 0 494.414 6.606 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000059102798 195387551 /nfs/dbraw/zinc/38/75/51/195387551.db2.gz FZGWFCRQMILUTK-HHHXNRCGSA-N 0 0 477.645 7.194 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 ZINC000059102849 195387725 /nfs/dbraw/zinc/38/77/25/195387725.db2.gz DFSAHJZJBYESJB-HHHXNRCGSA-N 0 0 493.644 6.900 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000059104184 195387733 /nfs/dbraw/zinc/38/77/33/195387733.db2.gz XTGWBONTMNISTA-SXVBQMOPSA-N 0 0 456.995 5.578 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000059102830 195387739 /nfs/dbraw/zinc/38/77/39/195387739.db2.gz FTXAVIVRXYAPQW-MHZLTWQESA-N 0 0 495.635 7.334 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000059104508 195387899 /nfs/dbraw/zinc/38/78/99/195387899.db2.gz GHXVCEDZTPEDOV-RDRPBHBLSA-N 0 0 469.610 7.775 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N1CC ZINC000059104514 195388053 /nfs/dbraw/zinc/38/80/53/195388053.db2.gz XXVIADXYNQWQGO-UYLZVCPASA-N 0 0 463.372 5.479 40 30 JKEBRN Brc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)oc1Br ZINC000059105221 195388568 /nfs/dbraw/zinc/38/85/68/195388568.db2.gz YNBHGLUQXVBHJC-WYMPLXKRSA-N 0 0 463.213 7.023 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000059105025 195388633 /nfs/dbraw/zinc/38/86/33/195388633.db2.gz WLWABTDCGBCSGI-XOVMAZANSA-N 0 0 475.383 5.428 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000059105793 195388713 /nfs/dbraw/zinc/38/87/13/195388713.db2.gz FFLACNGQXRYVST-OEAKJJBVSA-N 0 0 466.509 5.834 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000059105868 195388718 /nfs/dbraw/zinc/38/87/18/195388718.db2.gz IIDYQORIKGVKMW-RGVLZGJSSA-N 0 0 491.346 6.742 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2Cl)cc1 ZINC000059105869 195388721 /nfs/dbraw/zinc/38/87/21/195388721.db2.gz RISJFRCYHJQJDC-CIAFOILYSA-N 0 0 487.383 6.912 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)o2)c(Br)c1 ZINC000059105710 195388759 /nfs/dbraw/zinc/38/87/59/195388759.db2.gz WUKPSRFAMXUWPI-ODLFYWEKSA-N 0 0 457.324 6.048 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OC)c1OCc1ccccc1 ZINC000059105782 195388769 /nfs/dbraw/zinc/38/87/69/195388769.db2.gz RZPTUNJCJBXTLG-LFVJCYFKSA-N 0 0 474.557 6.033 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000059105792 195388785 /nfs/dbraw/zinc/38/87/85/195388785.db2.gz XGMBZAWHCLFYCD-LPYMAVHISA-N 0 0 452.482 5.444 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000059105902 195388943 /nfs/dbraw/zinc/38/89/43/195388943.db2.gz UMQKFXZPYJMCCZ-CIAFOILYSA-N 0 0 486.927 6.097 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000059105972 195388956 /nfs/dbraw/zinc/38/89/56/195388956.db2.gz HDNACQCVUHSJPZ-YBFXNURJSA-N 0 0 460.361 6.432 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000059106057 195389049 /nfs/dbraw/zinc/38/90/49/195389049.db2.gz ZEDDNYDLCJKYQC-VCHYOVAHSA-N 0 0 465.344 5.277 40 30 JKEBRN Fc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 ZINC000059193762 195393949 /nfs/dbraw/zinc/39/39/49/195393949.db2.gz AFSRLCWTAIBBNK-KKMKTNMSSA-N 0 0 472.372 7.281 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059193509 195393979 /nfs/dbraw/zinc/39/39/79/195393979.db2.gz VMCYMSGZSOFWNU-UHFFFAOYSA-N 0 0 498.406 6.282 40 30 JKEBRN Cc1ccccc1C(=O)Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000059193733 195394004 /nfs/dbraw/zinc/39/40/04/195394004.db2.gz CUEOSQSVYBBNFX-UVHMKAGCSA-N 0 0 482.392 7.091 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 ZINC000059193729 195394042 /nfs/dbraw/zinc/39/40/42/195394042.db2.gz CPAMLJLVLPJBBO-UVHMKAGCSA-N 0 0 484.408 7.151 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059193576 195394045 /nfs/dbraw/zinc/39/40/45/195394045.db2.gz WJQFNROESGESTD-UHFFFAOYSA-N 0 0 499.390 6.709 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccccc1 ZINC000059193586 195394106 /nfs/dbraw/zinc/39/41/06/195394106.db2.gz JUEYCXLFCQQDOF-UHFFFAOYSA-N 0 0 456.582 6.666 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Br ZINC000059194486 195394198 /nfs/dbraw/zinc/39/41/98/195394198.db2.gz GVSJTKQDDYZLRR-ZMOGYAJESA-N 0 0 482.359 5.733 40 30 JKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000059194490 195394300 /nfs/dbraw/zinc/39/43/00/195394300.db2.gz ZGCTUGWGAVEAOS-YDZHTSKRSA-N 0 0 452.333 5.724 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 ZINC000059224159 195395105 /nfs/dbraw/zinc/39/51/05/195395105.db2.gz JBVHQYVXUXVVCK-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)S2)cc1C ZINC000059223906 195395219 /nfs/dbraw/zinc/39/52/19/195395219.db2.gz OIIZPHVJARHEOS-FMCGGJTJSA-N 0 0 483.420 7.081 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccccc2)sc2c1CCCC2 ZINC000059198949 195395221 /nfs/dbraw/zinc/39/52/21/195395221.db2.gz QUDAUYMGRAKMSC-NDZAJKAJSA-N 0 0 466.606 7.209 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)c(C)c4)NC3=O)o2)c(Br)c1 ZINC000059223991 195395236 /nfs/dbraw/zinc/39/52/36/195395236.db2.gz LNJUZRSSPKRKGL-MTJSOVHGSA-N 0 0 467.388 6.526 40 30 JKEBRN 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VWPBEOPJLIXZQP-AREMUKBSSA-N 0 0 475.589 5.878 40 30 JKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020633149 518973712 /nfs/dbraw/zinc/97/37/12/518973712.db2.gz XAWQZJBLLJJHOQ-SANMLTNESA-N 0 0 451.526 5.633 40 30 JKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)c(OCC)c1 ZINC000020633501 518974194 /nfs/dbraw/zinc/97/41/94/518974194.db2.gz VWPBEOPJLIXZQP-SANMLTNESA-N 0 0 475.589 5.878 40 30 JKEBRN CC(C)(C)c1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc(C(C)(C)C)c1O ZINC000015015626 518990335 /nfs/dbraw/zinc/99/03/35/518990335.db2.gz PRUUKLCBMGIIFH-UYRXBGFRSA-N 0 0 487.463 6.641 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000016161836 519001316 /nfs/dbraw/zinc/00/13/16/519001316.db2.gz FWADZOVDEAKITJ-CBIIRDDDSA-N 0 0 489.435 5.575 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc3ccccc3c2)C1=O ZINC000009233546 519018295 /nfs/dbraw/zinc/01/82/95/519018295.db2.gz REIGHZYFBQTCDF-HYARGMPZSA-N 0 0 480.383 6.404 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000003769206 519018440 /nfs/dbraw/zinc/01/84/40/519018440.db2.gz CHRHTPCWADYDOH-WOJGMQOQSA-N 0 0 475.320 5.159 40 30 JKEBRN C=CCOc1ccc([C@@H]2Oc3nc(SCCCCC)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000015015947 519044715 /nfs/dbraw/zinc/04/47/15/519044715.db2.gz YLNIHLCDXFLZQR-VWLOTQADSA-N 0 0 476.602 5.830 40 30 JKEBRN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)Nc1ccc(Br)cc1-2 ZINC000015016081 519092668 /nfs/dbraw/zinc/09/26/68/519092668.db2.gz QAEGUPHUQQUTAM-IBGZPJMESA-N 0 0 455.381 5.645 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccc(Br)cc1 ZINC000014395439 519183565 /nfs/dbraw/zinc/18/35/65/519183565.db2.gz DNGRQWFNSDGPFX-UHFFFAOYSA-N 0 0 495.240 5.860 40 30 JKEBRN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000022079408 519190522 /nfs/dbraw/zinc/19/05/22/519190522.db2.gz DJFXTALRFPSQAL-UHFFFAOYSA-N 0 0 478.565 5.814 40 30 JKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000014091865 519191838 /nfs/dbraw/zinc/19/18/38/519191838.db2.gz VPWZPKNRWNEJET-UHFFFAOYSA-N 0 0 463.390 5.101 40 30 JKEBRN C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(Br)cc1 ZINC000021927099 519201003 /nfs/dbraw/zinc/20/10/03/519201003.db2.gz AXHPJSVFCGSWJH-UHFFFAOYSA-N 0 0 471.424 5.427 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Br ZINC000006073570 519221974 /nfs/dbraw/zinc/22/19/74/519221974.db2.gz HKCLILFOBRIPAL-UHFFFAOYSA-N 0 0 463.788 5.278 40 30 JKEBRN CC(/C=N/N=C1/S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000027642529 519349567 /nfs/dbraw/zinc/34/95/67/519349567.db2.gz VFJCFXXWBVFWSN-DQMPSHRTSA-N 0 0 470.598 5.907 40 30 JKEBRN CC(=O)Nc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 ZINC000016362649 519709207 /nfs/dbraw/zinc/70/92/07/519709207.db2.gz VUAIQDGLUXBDDW-VMCVTNGESA-N 0 0 458.561 7.292 40 30 JKEBRN CC(=O)O/C(=C1/C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]12)C(F)(F)F ZINC000004804026 519754224 /nfs/dbraw/zinc/75/42/24/519754224.db2.gz WRDQUHFWTDMKQB-KQYBWUAESA-N 0 0 468.512 5.439 40 30 JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C/C(=N\O)[C@]2(O)C1 ZINC000034194393 519758253 /nfs/dbraw/zinc/75/82/53/519758253.db2.gz QGVHVXRQEBXHEC-VNMHHIOPSA-N 0 0 475.714 6.594 40 30 biogenic,in-vitro JKEBRN CCCC(=O)Nc1ccc(/N=C/c2c(O)c(OCC)cc(Br)c2Br)cc1 ZINC000016637179 519877544 /nfs/dbraw/zinc/87/75/44/519877544.db2.gz NJYHTTWEBSWMCF-SSDVNMTOSA-N 0 0 484.188 5.805 40 30 JKEBRN CCCC/C(=N/N=C1/NC(=O)C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)S1)c1ccccc1 ZINC000009059186 519887011 /nfs/dbraw/zinc/88/70/11/519887011.db2.gz IHNUYFMILWSBNL-VXIMLZEYSA-N 0 0 477.417 5.504 40 30 JKEBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037509 519893722 /nfs/dbraw/zinc/89/37/22/519893722.db2.gz JWRIWPGGMUITBP-TZYHBYERSA-N 0 0 493.625 5.242 40 30 JKEBRN CC(C)n1c(C=CC(=O)C[C@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000026892480 519918308 /nfs/dbraw/zinc/91/83/08/519918308.db2.gz IZJOKSSEMQWDSZ-FRFYRWIFSA-N 0 0 465.565 6.093 40 30 JKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(F)c(F)c(F)c(F)c1F ZINC000017106715 519949100 /nfs/dbraw/zinc/94/91/00/519949100.db2.gz CLGVMPBHQNATGJ-YRWQBFDQSA-N 0 0 465.293 8.141 40 30 JKEBRN CCCCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000072176585 519993829 /nfs/dbraw/zinc/99/38/29/519993829.db2.gz GDJMJAKVVSGNLA-UHFFFAOYSA-N 0 0 460.787 10.633 40 30 endogenous,in-man JKEBRN CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(N(CC)CC)cc3)cc2)cc1 ZINC000016638410 520136250 /nfs/dbraw/zinc/13/62/50/520136250.db2.gz HHGRTPJLENWDCT-UQRQXUALSA-N 0 0 456.630 7.625 40 30 JKEBRN CC/N=C1\S/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)N1CC ZINC000009323318 520205876 /nfs/dbraw/zinc/20/58/76/520205876.db2.gz RSBVBIMDUDVMFI-WNIMSWJZSA-N 0 0 495.442 6.493 40 30 JKEBRN CC/N=C1\S/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)N1CC ZINC000015227067 520207865 /nfs/dbraw/zinc/20/78/65/520207865.db2.gz PTDMPTJCWRROIJ-DSEZMCGYSA-N 0 0 470.392 5.212 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(O)c1 ZINC000016577901 520255537 /nfs/dbraw/zinc/25/55/37/520255537.db2.gz VRBUITHOHBZJJZ-UHFFFAOYSA-N 0 0 469.625 6.321 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000012402399 520266581 /nfs/dbraw/zinc/26/65/81/520266581.db2.gz FPTTUDYLOQNUPB-MHZLTWQESA-N 0 0 476.979 7.280 40 30 biogenic,in-vitro JKEBRN CCCOc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(OCCC)c1 ZINC000003266184 520321167 /nfs/dbraw/zinc/32/11/67/520321167.db2.gz RZSIGPLRMIJCLC-LGJNPRDNSA-N 0 0 473.948 6.257 40 30 JKEBRN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000020595563 520391640 /nfs/dbraw/zinc/39/16/40/520391640.db2.gz YFKWZCDYQWKXDF-WNMDNWPKSA-N 0 0 459.571 5.640 40 30 JKEBRN CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000015906289 520396541 /nfs/dbraw/zinc/39/65/41/520396541.db2.gz QRASSQJRFFKXID-XHLNEMQHSA-N 0 0 467.919 5.602 40 30 JKEBRN CCOC(=O)C(C(=O)OCC)=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000017255751 520407688 /nfs/dbraw/zinc/40/76/88/520407688.db2.gz DSIXTMBNWMGAHV-CHGLVIDESA-N 0 0 499.592 6.038 40 30 JKEBRN CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000006162534 520486379 /nfs/dbraw/zinc/48/63/79/520486379.db2.gz LICLJLVQBDEQKR-YUDQIZAISA-N 0 0 499.651 6.713 40 30 JKEBRN CCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 ZINC000033386621 520554654 /nfs/dbraw/zinc/55/46/54/520554654.db2.gz XORJDIRRIKXEDP-CGINZGNNSA-N 0 0 480.590 5.608 40 30 JKEBRN CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000020583171 520564249 /nfs/dbraw/zinc/56/42/49/520564249.db2.gz JQYXYNBRVSHHAQ-XSMOSBQLSA-N 0 0 494.444 6.153 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000033349499 520624046 /nfs/dbraw/zinc/62/40/46/520624046.db2.gz QOGCUBCRJBEJMS-HYXNHMAPSA-N 0 0 483.593 6.078 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000009194281 520637033 /nfs/dbraw/zinc/63/70/33/520637033.db2.gz XPNKTTYHSSITRS-ORKOJGRUSA-N 0 0 499.394 5.502 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000009194276 520638062 /nfs/dbraw/zinc/63/80/62/520638062.db2.gz XPNKTTYHSSITRS-SFPGMMJFSA-N 0 0 499.394 5.502 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000009197437 520640587 /nfs/dbraw/zinc/64/05/87/520640587.db2.gz BBQJYFLDOKRFDR-KVSWJAHQSA-N 0 0 481.782 6.887 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)ccc1O ZINC000022713061 520646801 /nfs/dbraw/zinc/64/68/01/520646801.db2.gz PTJOCPZZHYRTDY-FBZXEHFWSA-N 0 0 476.642 7.006 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCCCC3)cc2)c1O ZINC000016688125 520648763 /nfs/dbraw/zinc/64/87/63/520648763.db2.gz ANYQRYKIQMKCFZ-YDZHTSKRSA-N 0 0 482.216 6.057 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2ccccc2N2CCCCC2)c1O ZINC000016688132 520649777 /nfs/dbraw/zinc/64/97/77/520649777.db2.gz YHVGPUNPIDUKND-YDZHTSKRSA-N 0 0 482.216 6.057 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)CC)cc2)c1O ZINC000016609893 520649857 /nfs/dbraw/zinc/64/98/57/520649857.db2.gz BSPXGOAXKUWWIS-UFFVCSGVSA-N 0 0 470.161 5.415 40 30 JKEBRN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000012311369 520797697 /nfs/dbraw/zinc/79/76/97/520797697.db2.gz LRNHGJNJKZCCDN-XIEYBQDHSA-N 0 0 466.563 5.128 40 30 JKEBRN CC1=C(C(=O)NC2CCCC2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001097254 520797650 /nfs/dbraw/zinc/79/76/50/520797650.db2.gz HQJDCDRRUGWRSU-WXTAPIANSA-N 0 0 461.993 5.155 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009197517 520798511 /nfs/dbraw/zinc/79/85/11/520798511.db2.gz FHXKRYUSWKTMLX-YSURURNPSA-N 0 0 459.757 5.111 40 30 JKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098490 520815506 /nfs/dbraw/zinc/81/55/06/520815506.db2.gz FOVABWVVWWUORY-MZNJEOGPSA-N 0 0 470.396 6.307 40 30 JKEBRN CC1=C(C(=O)OC2C3CC4CC(C3)CC2C4)[C@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O ZINC000020568868 520818793 /nfs/dbraw/zinc/81/87/93/520818793.db2.gz QVBOETGPURIPTR-LLKSUMENSA-N 0 0 469.556 5.762 40 30 JKEBRN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098523 520819872 /nfs/dbraw/zinc/81/98/72/520819872.db2.gz PAAHFZFFABDSMK-DJUQAAIZSA-N 0 0 499.651 6.711 40 30 JKEBRN CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3ccccc3Br)o2)cc1 ZINC000003337173 520823570 /nfs/dbraw/zinc/82/35/70/520823570.db2.gz IQYHTVZRWDBUKD-YDZHTSKRSA-N 0 0 469.364 5.537 40 30 JKEBRN C=CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1cccc(C(F)(F)F)c1 ZINC000102960508 534520054 /nfs/dbraw/zinc/52/00/54/534520054.db2.gz VRCFZFRSNLJNPG-FGMPKADESA-N 0 0 472.355 6.028 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000033706547 520850690 /nfs/dbraw/zinc/85/06/90/520850690.db2.gz KPUZRIBVZOQTPA-DHDCSXOGSA-N 0 0 472.191 6.046 40 30 JKEBRN CCOc1ccc(/N=C2/Sc3nc4cc(C)c(C)cc4cc3CN2Cc2ccc3c(c2)OCO3)cc1 ZINC000012879963 520859166 /nfs/dbraw/zinc/85/91/66/520859166.db2.gz AGLYXJGJMFZOIV-QVIHXGFCSA-N 0 0 497.620 6.775 40 30 JKEBRN CCN(CC)c1ccc(C=[NH+][N-]c2cc(C=Cc3ccccc3)nc3ccc(OC)cc23)cc1 ZINC000016678482 520882667 /nfs/dbraw/zinc/88/26/67/520882667.db2.gz UDTMGYOBNDUXBM-CPLWOVSASA-N 0 0 450.586 6.706 40 30 JKEBRN CCN(CC)c1ccc(N=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2N)c(C)c1 ZINC000016678403 520885283 /nfs/dbraw/zinc/88/52/83/520885283.db2.gz VNBBLAOFJBWPQZ-UQQQWYQISA-N 0 0 452.773 5.193 40 30 JKEBRN CCN(CC)c1ccc(/N=C2/S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CC)c(C)c1 ZINC000006078573 520885625 /nfs/dbraw/zinc/88/56/25/520885625.db2.gz QBDOQUJPYRKORF-LOIXAWJCSA-N 0 0 487.094 6.489 40 30 JKEBRN CCCCOc1cccc(C(=O)/N=C2\SCCN2C(=O)c2cccc(OCCCC)c2)c1 ZINC000022536541 520899145 /nfs/dbraw/zinc/89/91/45/520899145.db2.gz RCCJATUKVNYBOY-QPLCGJKRSA-N 0 0 454.592 5.430 40 30 JKEBRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br ZINC000022714314 520903141 /nfs/dbraw/zinc/90/31/41/520903141.db2.gz ZTWYDQFDGNYMIP-LLVKDONJSA-N 0 0 478.437 5.033 40 30 JKEBRN CC1CCC2(CC1)NC(=O)N(N=Cc1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)C2=O ZINC000015354576 520965752 /nfs/dbraw/zinc/96/57/52/520965752.db2.gz MUOCGEAAMAECPP-LQKURTRISA-N 0 0 467.529 5.120 40 30 JKEBRN CCOc1ccc(O)c(/C(CCCCCCCC/C(=N\O)c2cc(OCC)ccc2O)=N/O)c1 ZINC000016689303 521141656 /nfs/dbraw/zinc/14/16/56/521141656.db2.gz REPLXEDGLHFAMO-LMCGJEQXSA-N 0 0 472.582 6.073 40 30 JKEBRN CCOc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000035973788 521264790 /nfs/dbraw/zinc/26/47/90/521264790.db2.gz YUTOJLSLIOJTMJ-CTFOTTMXSA-N 0 0 489.612 5.797 40 30 JKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\S/C(=N\c4cccc(Cl)c4C)NC3=O)c2c1 ZINC000033587507 521296126 /nfs/dbraw/zinc/29/61/26/521296126.db2.gz OGNBGDWVIPDOBD-UCQKPKSFSA-N 0 0 466.990 6.491 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)sc2c1CCCC2 ZINC000006089530 521375154 /nfs/dbraw/zinc/37/51/54/521375154.db2.gz KKSDMFWHWUQSDS-VULFUBBASA-N 0 0 485.447 6.724 40 30 JKEBRN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc2c(c1)OCCO2 ZINC000006078600 521508688 /nfs/dbraw/zinc/50/86/88/521508688.db2.gz NILLZZUOVGAFAA-QGCLNHPSSA-N 0 0 486.018 5.661 40 30 JKEBRN CCOC(=O)c1ccc(NC(=O)c2c(/N=C\c3ccc(C)o3)sc3c2CCCCC3)cc1 ZINC000015945878 521513138 /nfs/dbraw/zinc/51/31/38/521513138.db2.gz YCJVNWSJAIXRDP-YSMPRRRNSA-N 0 0 450.560 6.098 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000009261583 521515685 /nfs/dbraw/zinc/51/56/85/521515685.db2.gz YVCHDNNHVYFMMO-XJBRANNNSA-N 0 0 484.581 5.279 40 30 JKEBRN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000006135445 521875096 /nfs/dbraw/zinc/87/50/96/521875096.db2.gz SCCXCSOLPUKCJO-UHFFFAOYSA-N 0 0 479.605 6.589 40 30 JKEBRN CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Oc1cccc(C)c1 ZINC000036638623 521899099 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Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000013080647 525230214 /nfs/dbraw/zinc/23/02/14/525230214.db2.gz PIGICHOWYLYORL-HSZRJFAPSA-N 0 0 479.418 6.000 40 30 JKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000020418790 525230546 /nfs/dbraw/zinc/23/05/46/525230546.db2.gz LJXCRDCSVBVMEV-QHCPKHFHSA-N 0 0 451.482 5.110 40 30 JKEBRN C[C@]1(C(=O)c2ccccc2)[C@H](c2cccc(Br)c2)[C@@]1(C#N)C(=O)NC1CCCCC1 ZINC000014944507 525234346 /nfs/dbraw/zinc/23/43/46/525234346.db2.gz GGPNKKQYLMBZMM-GPUOULLFSA-N 0 0 465.391 5.394 40 30 JKEBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000014920878 525272941 /nfs/dbraw/zinc/27/29/41/525272941.db2.gz VIMMTHOPPMZGGL-FCEKVYKBSA-N 0 0 475.548 5.296 40 30 JKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCc1ccccc1 ZINC000003881636 525350512 /nfs/dbraw/zinc/35/05/12/525350512.db2.gz WPQKMAWYKDSBAX-XLQNIAEWSA-N 0 0 462.630 5.880 40 30 in-vitro 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Clc1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1 ZINC000033395567 526970621 /nfs/dbraw/zinc/97/06/21/526970621.db2.gz KGTLEYODXDKGIX-QRQIAZFYSA-N 0 0 481.947 6.718 40 30 JKEBRN Clc1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)c1 ZINC000033395934 526970796 /nfs/dbraw/zinc/97/07/96/526970796.db2.gz JEGVBPQWTYJFEH-PKAZHMFMSA-N 0 0 473.968 5.965 40 30 JKEBRN Clc1ccccc1/C=N\c1ccc2nc(-c3cccc(/N=C\c4ccccc4Cl)c3)oc2c1 ZINC000016449125 526986649 /nfs/dbraw/zinc/98/66/49/526986649.db2.gz CZDBUYXEBIEQMV-SXPCWOMBSA-N 0 0 470.359 8.303 40 30 JKEBRN Clc1ccccc1COc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009197633 526989929 /nfs/dbraw/zinc/98/99/29/526989929.db2.gz XYFMCKKAOGBJNU-IPPBACCNSA-N 0 0 469.799 7.503 40 30 JKEBRN Cn1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)nc2ccccc21 ZINC000008869993 527019177 /nfs/dbraw/zinc/01/91/77/527019177.db2.gz AIIGVPKQEMUYAP-ZDGMEELJSA-N 0 0 479.392 6.689 40 30 JKEBRN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000015304942 527033053 /nfs/dbraw/zinc/03/30/53/527033053.db2.gz SXGFDAGGPRCETM-OOXUFLSTSA-N 0 0 478.595 7.969 40 30 JKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(Br)o1 ZINC000012278544 527040163 /nfs/dbraw/zinc/04/01/63/527040163.db2.gz BMPLOQVZHAFRNC-IZZDOVSWSA-N 0 0 451.651 5.606 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820952 527040222 /nfs/dbraw/zinc/04/02/22/527040222.db2.gz CCSDFZLLCJSBFH-VCHYOVAHSA-N 0 0 483.298 7.164 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821011 527040428 /nfs/dbraw/zinc/04/04/28/527040428.db2.gz RPVNNPIBQBOAFK-VCHYOVAHSA-N 0 0 494.197 6.908 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008820793 527040513 /nfs/dbraw/zinc/04/05/13/527040513.db2.gz VPUPZZHTHXLYDC-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821045 527040683 /nfs/dbraw/zinc/04/06/83/527040683.db2.gz SRBCHHGOSQXVJO-VCHYOVAHSA-N 0 0 494.197 6.908 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820987 527041084 /nfs/dbraw/zinc/04/10/84/527041084.db2.gz YUFARPJSFDITCZ-GIJQJNRQSA-N 0 0 484.191 7.452 40 30 JKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000012274894 527041612 /nfs/dbraw/zinc/04/16/12/527041612.db2.gz HSNQKXDETOCZQA-LICLKQGHSA-N 0 0 494.197 6.908 40 30 JKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000015229665 527041802 /nfs/dbraw/zinc/04/18/02/527041802.db2.gz HRRMPVMNAZGWLF-FYJGNVAPSA-N 0 0 499.817 6.573 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cc2c(cc1Br)OCO2 ZINC000009261372 527042424 /nfs/dbraw/zinc/04/24/24/527042424.db2.gz YBWKYHIVVZSFOM-LHHJGKSTSA-N 0 0 472.147 5.376 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000009310472 527043452 /nfs/dbraw/zinc/04/34/52/527043452.db2.gz NMQWMPIMBIWTIR-YDZHTSKRSA-N 0 0 478.404 6.888 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000009233677 527043544 /nfs/dbraw/zinc/04/35/44/527043544.db2.gz SYFGOEXEMCHMCQ-FYJGNVAPSA-N 0 0 499.817 6.573 40 30 JKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000016525115 527043638 /nfs/dbraw/zinc/04/36/38/527043638.db2.gz QNPHKJCQQJZFJG-YBEGLDIGSA-N 0 0 487.393 6.506 40 30 JKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000009235053 527044946 /nfs/dbraw/zinc/04/49/46/527044946.db2.gz IFZHKCMJPVHEKF-FYJGNVAPSA-N 0 0 455.366 6.464 40 30 JKEBRN O=C(CSc1nnc(-c2ccc(/N=C\c3ccc(Cl)cc3)cc2)o1)Nc1cccc(Cl)c1 ZINC000018058759 527074821 /nfs/dbraw/zinc/07/48/21/527074821.db2.gz POBHCSOUSLJWRT-ZMFRSBBQSA-N 0 0 483.380 6.525 40 30 JKEBRN O=C1Nc2ccc(Br)cc2/C1=N/N=C\c1ccc(-c2cccc(Br)c2)o1 ZINC000016386253 527088536 /nfs/dbraw/zinc/08/85/36/527088536.db2.gz HAIVHDDDWRVDJY-YVNNLAQVSA-N 0 0 473.124 5.247 40 30 JKEBRN Cn1c2cc(Br)ccc2nc1/N=C/c1cc(Br)c2ccccc2c1O ZINC000016363853 527093666 /nfs/dbraw/zinc/09/36/66/527093666.db2.gz PGTDRVINAFCIRK-LSHDLFTRSA-N 0 0 459.141 5.708 40 30 JKEBRN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1cc2ccccc2cc1OCc1ccccc1Cl ZINC000016545714 527099736 /nfs/dbraw/zinc/09/97/36/527099736.db2.gz TZAAKPMDKWOJPI-UCQKPKSFSA-N 0 0 474.343 7.070 40 30 JKEBRN NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 ZINC000016450142 527110872 /nfs/dbraw/zinc/11/08/72/527110872.db2.gz XJSDKPRMQDSJRF-BRJLIKDPSA-N 0 0 474.811 5.805 40 30 JKEBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013286161 527119294 /nfs/dbraw/zinc/11/92/94/527119294.db2.gz FYBWGBSSUACVGO-SWVCMMSFSA-N 0 0 464.352 5.137 40 30 JKEBRN O=C1c2ccc(Cl)cc2S/C1=C1/C(=O)c2ccc(Cl)c3c2c1ccc3Br ZINC000012275432 527121163 /nfs/dbraw/zinc/12/11/63/527121163.db2.gz VDTDCLFQCJVCSK-CAPFRKAQSA-N 0 0 462.151 6.805 40 30 JKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000009264247 527128775 /nfs/dbraw/zinc/12/87/75/527128775.db2.gz WKCAFDVMAKYHDM-UHFFFAOYSA-N 0 0 485.970 7.927 40 30 JKEBRN O=C(Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)C(F)F)c1)c1ccccc1F ZINC000003154873 527129251 /nfs/dbraw/zinc/12/92/51/527129251.db2.gz HRAMJJWYANHPLV-UHFFFAOYSA-N 0 0 475.307 5.636 40 30 JKEBRN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c3c(cccc31)CC2 ZINC000016249284 527140027 /nfs/dbraw/zinc/14/00/27/527140027.db2.gz YGJVREBICSRVPM-SAPNQHFASA-N 0 0 459.976 8.012 40 30 JKEBRN O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccccc1Br ZINC000016449339 527153474 /nfs/dbraw/zinc/15/34/74/527153474.db2.gz MPHAPFINLKJBRZ-FSJBWODESA-N 0 0 474.152 5.920 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)ccc1Br ZINC000015135286 527326905 /nfs/dbraw/zinc/32/69/05/527326905.db2.gz WYTRIWNKKDAEQH-LGJNPRDNSA-N 0 0 488.297 6.775 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2cc(Cc3ccc(O)c(/N=C/c4ccc([N+](=O)[O-])cc4)c3)ccc2O)cc1 ZINC000003091153 527346149 /nfs/dbraw/zinc/34/61/49/527346149.db2.gz KDKVIEAZLGRZIB-LPHFKDDMSA-N 0 0 496.479 6.006 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC=C2CCCCC2Sc2nc3ccccc3s2)c(C(F)(F)F)c1 ZINC000015906744 527357975 /nfs/dbraw/zinc/35/79/75/527357975.db2.gz RNOVTNVBDSJCET-BRJLIKDPSA-N 0 0 478.521 7.241 40 30 JKEBRN O=c1c2ccc(NN=Cc3c4ccccc4cc4ccccc43)c3cccc(c4nc5ccccc5n41)c32 ZINC000012360321 527462720 /nfs/dbraw/zinc/46/27/20/527462720.db2.gz JSRAEIPASZSUPL-ALQBTCKLSA-N 0 0 488.550 7.344 40 30 JKEBRN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000016525617 527499560 /nfs/dbraw/zinc/49/95/60/527499560.db2.gz GPGOALCREXWJGZ-FDAWAROLSA-N 0 0 465.936 7.160 40 30 JKEBRN O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1cccc(Br)c1 ZINC000016386123 527600143 /nfs/dbraw/zinc/60/01/43/527600143.db2.gz IVPLOWMHXGKKRI-SNAWJCMRSA-N 0 0 457.991 6.946 40 30 JKEBRN O=C(/C=C/c1ccc(Cl)cc1)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000015906106 527605909 /nfs/dbraw/zinc/60/59/09/527605909.db2.gz NCSRHEWZICDIMP-ZTZPXUSLSA-N 0 0 499.739 5.387 40 30 JKEBRN O=C(/C=C/c1ccccc1)c1ccc(/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000015135314 527633631 /nfs/dbraw/zinc/63/36/31/527633631.db2.gz UUHHIEBORAFLBM-KOZLLTOOSA-N 0 0 476.488 6.461 40 30 JKEBRN O=C(/C=C/c1ccccc1)c1ccc2c(=O)n3c4cc5ccccc5cc4nc3c3cccc1c32 ZINC000016450860 527634023 /nfs/dbraw/zinc/63/40/23/527634023.db2.gz YFRNRXPJPUHTOT-DTQAZKPQSA-N 0 0 450.497 6.641 40 30 JKEBRN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(OC)cc3)C(=S)N\2C)cc1 ZINC000102414244 536614159 /nfs/dbraw/zinc/61/41/59/536614159.db2.gz ZFHNLUYENHZKDV-YZYVWJRPSA-N 0 0 460.559 5.210 40 30 JKEBRN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000676382 553749902 /nfs/dbraw/zinc/74/99/02/553749902.db2.gz YALLDQDMTNFOMG-HSZRJFAPSA-N 0 0 495.963 5.500 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccs2)cc1OC ZINC000000838739 553792838 /nfs/dbraw/zinc/79/28/38/553792838.db2.gz IMPSLYBHRYTALO-GKVSMKOHSA-N 0 0 467.587 5.079 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ncc(C)s3)n2)cc1 ZINC000000860552 553801671 /nfs/dbraw/zinc/80/16/71/553801671.db2.gz OELVQMYGEQHUAE-UHFFFAOYSA-N 0 0 472.595 5.792 40 30 aggregator JKEBRN COc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C#N)cc2c1 ZINC000000862113 553802725 /nfs/dbraw/zinc/80/27/25/553802725.db2.gz DVMJBOCKCNNTPR-UHFFFAOYSA-N 0 0 451.857 5.518 40 30 JKEBRN CCc1nnc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)o1 ZINC000000892284 553829784 /nfs/dbraw/zinc/82/97/84/553829784.db2.gz SJMKIXBDNWNIGX-UHFFFAOYSA-N 0 0 455.543 5.272 40 30 JKEBRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000902849 553836110 /nfs/dbraw/zinc/83/61/10/553836110.db2.gz ZRHPPXWSGZHEOA-HNNXBMFYSA-N 0 0 495.674 5.283 40 30 JKEBRN C=C(C)Cn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000000909648 553840944 /nfs/dbraw/zinc/84/09/44/553840944.db2.gz IXLIUVVBQCHIDR-UHFFFAOYSA-N 0 0 469.632 5.042 40 30 JKEBRN C=CCn1nc(-c2ccccc2Br)nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000000925455 553861426 /nfs/dbraw/zinc/86/14/26/553861426.db2.gz XVJFHNHSOCHQMX-UHFFFAOYSA-N 0 0 493.814 5.286 40 30 JKEBRN COc1cc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000000936867 553873905 /nfs/dbraw/zinc/87/39/05/553873905.db2.gz CEGJKINIMSVHDT-QFIPXVFZSA-N 0 0 471.344 5.195 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000000939883 553876084 /nfs/dbraw/zinc/87/60/84/553876084.db2.gz JUFSCEGURQCHLO-UHFFFAOYSA-N 0 0 463.283 5.140 40 30 JKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Br ZINC000001096191 553906706 /nfs/dbraw/zinc/90/67/06/553906706.db2.gz BTIAUKWRGWCYSB-ROTLSHHCSA-N 0 0 457.393 5.971 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000001097799 553906843 /nfs/dbraw/zinc/90/68/43/553906843.db2.gz FXWQQHZLRBNDDN-NRFANRHFSA-N 0 0 453.325 5.475 40 30 JKEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccc(C)cc2)ccc1OC(=O)c1ccco1 ZINC000001099995 553907905 /nfs/dbraw/zinc/90/79/05/553907905.db2.gz ZNQFPLIQMFBSII-UHFFFAOYSA-N 0 0 479.492 5.075 40 30 JKEBRN Cc1sc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c(C#N)c1C ZINC000001221521 553934550 /nfs/dbraw/zinc/93/45/50/553934550.db2.gz OJXRLNZKLGNDIB-UHFFFAOYSA-N 0 0 465.648 5.655 40 30 JKEBRN COc1cc2cc(C#N)c(SCC(=O)N3c4ccccc4CCc4ccccc43)nc2cc1OC ZINC000001355226 553957688 /nfs/dbraw/zinc/95/76/88/553957688.db2.gz VCDWFMHURXIKLX-UHFFFAOYSA-N 0 0 481.577 5.679 40 30 JKEBRN Brc1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(Br)o2)o1 ZINC000001425119 553969875 /nfs/dbraw/zinc/96/98/75/553969875.db2.gz BRYTUWXHBFFYIW-ASIDMNOUSA-N 0 0 472.136 7.052 40 30 JKEBRN O=C(c1ccco1)C1=C(Nc2ccc(Br)cc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000001440357 553972788 /nfs/dbraw/zinc/97/27/88/553972788.db2.gz ROYJQLKWYQUYDC-RUZDIDTESA-N 0 0 499.364 6.379 40 30 JKEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)N(CCc2ccc(Cl)cc2Cl)C1=S ZINC000001441800 553972998 /nfs/dbraw/zinc/97/29/98/553972998.db2.gz FSSCXSMXDLOYGV-IBGZPJMESA-N 0 0 496.847 5.202 40 30 JKEBRN CC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3ncccn3)c(C#N)c(-c3cccs3)c2C1 ZINC000001515238 553977732 /nfs/dbraw/zinc/97/77/32/553977732.db2.gz 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JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000008811923 554692990 /nfs/dbraw/zinc/69/29/90/554692990.db2.gz XNHAXTMGOVUFLX-UVHMKAGCSA-N 0 0 463.792 6.748 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(I)c1OC(C)C ZINC000008811970 554693013 /nfs/dbraw/zinc/69/30/13/554693013.db2.gz HMSLSABPMXSIHU-SSDVNMTOSA-N 0 0 472.754 5.254 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4Cl)NC3=O)cc2)cc1 ZINC000008820771 554707668 /nfs/dbraw/zinc/70/76/68/554707668.db2.gz BRHPKOHFOLTZGD-UUYOSTAYSA-N 0 0 469.393 6.772 40 30 JKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820833 554707868 /nfs/dbraw/zinc/70/78/68/554707868.db2.gz DGCRJZVDOALUAA-MYYYXRDXSA-N 0 0 470.981 6.964 40 30 JKEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000008820781 554707942 /nfs/dbraw/zinc/70/79/42/554707942.db2.gz FBQNQNJAPLRRBW-HMAPJEAMSA-N 0 0 450.947 5.819 40 30 JKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1 ZINC000008820864 554708094 /nfs/dbraw/zinc/70/80/94/554708094.db2.gz HMADNMPEZJJDLA-IWIPYMOSSA-N 0 0 495.000 6.218 40 30 JKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S1 ZINC000008820863 554708108 /nfs/dbraw/zinc/70/81/08/554708108.db2.gz FALAWKGMEYKSFH-IWIPYMOSSA-N 0 0 495.000 6.218 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820847 554708120 /nfs/dbraw/zinc/70/81/20/554708120.db2.gz HWRAMYRBUSQWQC-OYKKKHCWSA-N 0 0 479.001 6.436 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820884 554708128 /nfs/dbraw/zinc/70/81/28/554708128.db2.gz KHBMGHIYSXNZKI-IWIPYMOSSA-N 0 0 495.000 6.218 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821016 554708278 /nfs/dbraw/zinc/70/82/78/554708278.db2.gz AMHDAZMNUOSVMP-GIJQJNRQSA-N 0 0 484.191 7.452 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008821070 554708475 /nfs/dbraw/zinc/70/84/75/554708475.db2.gz 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30 JKEBRN Cc1sc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C ZINC000008831551 554722712 /nfs/dbraw/zinc/72/27/12/554722712.db2.gz OPYTWVPNXUIPEW-UHFFFAOYSA-N 0 0 450.372 5.930 40 30 JKEBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000008831585 554722973 /nfs/dbraw/zinc/72/29/73/554722973.db2.gz FZKNKTPTOJEIPK-CWRQFWGNSA-N 0 0 465.688 6.421 40 30 JKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000008832428 554726588 /nfs/dbraw/zinc/72/65/88/554726588.db2.gz FLJVDWAHALAHNK-AWEZNQCLSA-N 0 0 461.425 6.184 40 30 JKEBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008832432 554726732 /nfs/dbraw/zinc/72/67/32/554726732.db2.gz RFGUYWNZLDIROX-RNOHYWCBSA-N 0 0 473.436 6.194 40 30 JKEBRN Cn1c(/C=C2/S/C(=N\c3cccc(Cl)c3)N(c3cccc(Cl)c3)C2=O)nc2ccccc21 ZINC000008869994 554764270 /nfs/dbraw/zinc/76/42/70/554764270.db2.gz MFDYNFSCERUCBT-ZDGMEELJSA-N 0 0 479.392 6.689 40 30 JKEBRN Cc1cccc(/N=C2\S/C(=C/c3nc4ccccc4n3C)C(=O)N2c2cccc(C)c2C)c1C ZINC000008869995 554764284 /nfs/dbraw/zinc/76/42/84/554764284.db2.gz LBGCWGXEYIUQMD-YQMVTHACSA-N 0 0 466.610 6.616 40 30 JKEBRN CCOc1ccc2c(c1)S/C(=C1/C(=O)c3ccc(Cl)c4c3c1ccc4Br)C2=O ZINC000008870397 554765452 /nfs/dbraw/zinc/76/54/52/554765452.db2.gz ISCCORYMFUCGNK-RELWKKBWSA-N 0 0 471.759 6.550 40 30 JKEBRN COc1ccc(Nc2nc(N=NCc3cccc(Cl)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872706 554769238 /nfs/dbraw/zinc/76/92/38/554769238.db2.gz XSARNYCSTUROHB-AFUMVMLFSA-N 0 0 490.911 5.375 40 30 JKEBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008901353 554794654 /nfs/dbraw/zinc/79/46/54/554794654.db2.gz VBFMBADAOFLNKH-HNNXBMFYSA-N 0 0 497.458 6.947 40 30 JKEBRN Cc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000008927067 554824543 /nfs/dbraw/zinc/82/45/43/554824543.db2.gz OFUWWADSYDMHTN-RDRPBHBLSA-N 0 0 457.375 6.718 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000008952596 554836251 /nfs/dbraw/zinc/83/62/51/554836251.db2.gz PNDHMMQVMNVWPV-UWPNFEPOSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN Cc1cc(-c2nc3ccccc3o2)ccc1N=CC1=CC(=[NH+][N-]c2cccc(Cl)c2)C=CC1=O ZINC000008964395 554838274 /nfs/dbraw/zinc/83/82/74/554838274.db2.gz SRUKRNHPJMYAEY-ALOWENIPSA-N 0 0 466.928 8.328 40 30 JKEBRN C[S@](=O)[C@@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000009129352 554927297 /nfs/dbraw/zinc/92/72/97/554927297.db2.gz KXSNCHSJSCYGPI-VGNCIJBISA-N 0 0 468.669 5.493 40 30 JKEBRN N#Cc1c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCC2 ZINC000009142311 554935477 /nfs/dbraw/zinc/93/54/77/554935477.db2.gz OSEHCDDDEIQHIP-UHFFFAOYSA-N 0 0 470.417 5.541 40 30 JKEBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1F ZINC000009142444 554935896 /nfs/dbraw/zinc/93/58/96/554935896.db2.gz ODGPQNQFBZTURM-UHFFFAOYSA-N 0 0 460.758 5.051 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccco3)N4)sc2C1 ZINC000009305250 555078335 /nfs/dbraw/zinc/07/83/35/555078335.db2.gz UQWMDFLVVXNLSS-UCMVZMLTSA-N 0 0 475.496 5.447 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 ZINC000009448550 555221350 /nfs/dbraw/zinc/22/13/50/555221350.db2.gz KYDRHLGSISHILV-UHFFFAOYSA-N 0 0 452.889 5.534 40 30 JKEBRN COc1cc(OC)c(NC(=O)[C@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)cc1Cl ZINC000013208335 555369564 /nfs/dbraw/zinc/36/95/64/555369564.db2.gz PSTMVFDTUILAON-JOCHJYFZSA-N 0 0 467.978 5.713 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Br)cc1 ZINC000013303825 555374044 /nfs/dbraw/zinc/37/40/44/555374044.db2.gz OJGAJBRFKCGXMO-QUOYTPRUSA-N 0 0 474.449 6.223 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C#N)ccc1NCC ZINC000013306203 555375012 /nfs/dbraw/zinc/37/50/12/555375012.db2.gz YXLJLWJQRHAEKC-ILRPLKKTSA-N 0 0 493.658 5.773 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C(C)C)c(O)cc1C ZINC000013306299 555375400 /nfs/dbraw/zinc/37/54/00/555375400.db2.gz BWARZSKHEZLRQQ-SLJQUXCSSA-N 0 0 467.660 6.598 40 30 JKEBRN Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C#N)CCCC4)n1)CCCC3 ZINC000013454296 555401263 /nfs/dbraw/zinc/40/12/63/555401263.db2.gz YFKKEGYISLTVAV-UHFFFAOYSA-N 0 0 454.646 5.421 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc2c(c1)OCCO2 ZINC000013475640 555402926 /nfs/dbraw/zinc/40/29/26/555402926.db2.gz ZSVWRTYHQNSBOD-QDJRPKQISA-N 0 0 483.615 5.241 40 30 JKEBRN CC(=NN=c1cc(-c2ccccc2)c2cc(Br)ccc2[nH]1)c1ccc(Br)o1 ZINC000013477764 555403116 /nfs/dbraw/zinc/40/31/16/555403116.db2.gz QCYCSHOKSKTRNK-DHRITJCHSA-N 0 0 485.179 6.856 40 30 JKEBRN COc1cc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000009762844 555488013 /nfs/dbraw/zinc/48/80/13/555488013.db2.gz ILDZABSSMZQOLJ-QFEZKATASA-N 0 0 450.951 5.357 40 30 JKEBRN Cc1ccc(C)c(/N=C2/Sc3nc4cc(C)c(C)cc4cc3CN2CCN2CCOCC2)c1 ZINC000013562185 555496151 /nfs/dbraw/zinc/49/61/51/555496151.db2.gz SBBMZTOJZBORIR-ORIPQNMZSA-N 0 0 460.647 5.396 40 30 JKEBRN CCc1ccc(/N=C2/Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1 ZINC000013562169 555496179 /nfs/dbraw/zinc/49/61/79/555496179.db2.gz MPJBNIAOBDELDJ-BYYHNAKLSA-N 0 0 460.647 5.342 40 30 JKEBRN COc1ccc(CCN2Cc3cc4cc(C)c(C)cc4nc3S/C2=N/C[C@H]2CCCO2)cc1OC ZINC000013562189 555496227 /nfs/dbraw/zinc/49/62/27/555496227.db2.gz KKJUITYKCMEZAD-IFQZSBTPSA-N 0 0 491.657 5.554 40 30 JKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C3 ZINC000013562194 555496246 /nfs/dbraw/zinc/49/62/46/555496246.db2.gz BSTKHKMPCOSFCX-ZPKNHPDFSA-N 0 0 461.587 5.223 40 30 JKEBRN CC(N=Nc1cc(C(F)(F)F)nc(-c2ccccc2)n1)c1ccc(I)cc1 ZINC000013563094 555498099 /nfs/dbraw/zinc/49/80/99/555498099.db2.gz YQLJAXKEINLHCK-RPPGKUMJSA-N 0 0 482.247 5.603 40 30 JKEBRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CCCCC1)/C(=N/c1cccnc1)S3 ZINC000013566145 555503237 /nfs/dbraw/zinc/50/32/37/555503237.db2.gz AHSUBZWKEFHROP-PNOGMODKSA-N 0 0 496.684 7.041 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013567197 555504196 /nfs/dbraw/zinc/50/41/96/555504196.db2.gz OCHOVQDEWPUTKT-IQGLISFBSA-N 0 0 473.960 5.637 40 30 JKEBRN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccco1)C2 ZINC000013567185 555504209 /nfs/dbraw/zinc/50/42/09/555504209.db2.gz ZLCITBUWGCURJY-HFJWLAOPSA-N 0 0 469.541 5.074 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccc(F)c2)n1 ZINC000013567225 555504212 /nfs/dbraw/zinc/50/42/12/555504212.db2.gz ILRNKHRSMVQWOI-IQGLISFBSA-N 0 0 457.505 5.122 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2F)nc1 ZINC000013567212 555504214 /nfs/dbraw/zinc/50/42/14/555504214.db2.gz MYTVNXGTSKSJQK-GKVSMKOHSA-N 0 0 457.505 5.122 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567804 555505402 /nfs/dbraw/zinc/50/54/02/555505402.db2.gz JAPDDHCEOZPZNV-MRXNPFEDSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567817 555505438 /nfs/dbraw/zinc/50/54/38/555505438.db2.gz APUKVSNLXCRVMU-INIZCTEOSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567801 555505512 /nfs/dbraw/zinc/50/55/12/555505512.db2.gz NUFJCLRMWDKWQU-INIZCTEOSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567821 555505704 /nfs/dbraw/zinc/50/57/04/555505704.db2.gz PKFFAEORTCELMD-SFHVURJKSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567893 555505714 /nfs/dbraw/zinc/50/57/14/555505714.db2.gz ULGZVOSKBPZQMA-KRWDZBQOSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567844 555505779 /nfs/dbraw/zinc/50/57/79/555505779.db2.gz QNRURMVRROJIRX-GOSISDBHSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1cc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013567961 555505887 /nfs/dbraw/zinc/50/58/87/555505887.db2.gz BTFOQKDIOQNERT-HNNXBMFYSA-N 0 0 459.901 5.033 40 30 JKEBRN COc1cc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013567945 555505899 /nfs/dbraw/zinc/50/58/99/555505899.db2.gz SAAQVSHOIKKWDY-KRWDZBQOSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1OC ZINC000013567929 555505949 /nfs/dbraw/zinc/50/59/49/555505949.db2.gz WNLOMULPSYZDEG-INIZCTEOSA-N 0 0 455.938 5.202 40 30 JKEBRN COC(=O)c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855672 555512961 /nfs/dbraw/zinc/51/29/61/555512961.db2.gz BORDIQGADBMRBP-ZTKZIYFRSA-N 0 0 484.577 5.619 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000019855710 555512976 /nfs/dbraw/zinc/51/29/76/555512976.db2.gz ARFCYRGCADFVHN-MTDXEUNCSA-N 0 0 470.550 5.561 40 30 JKEBRN 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LTFUNGADZXNGAN-IPPBACCNSA-N 0 0 456.804 7.082 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000010119094 555629528 /nfs/dbraw/zinc/62/95/28/555629528.db2.gz HDLMGVKEJPYPCI-CCVNUDIWSA-N 0 0 463.792 6.748 40 30 JKEBRN Clc1ccc(CN/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)cc1 ZINC000010119138 555629546 /nfs/dbraw/zinc/62/95/46/555629546.db2.gz JAJMZLUQHVVOGU-FJEPWZHXSA-N 0 0 469.799 7.503 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000010119086 555629561 /nfs/dbraw/zinc/62/95/61/555629561.db2.gz APYUFUQNOPBARV-CCVNUDIWSA-N 0 0 463.792 6.748 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000010119124 555629600 /nfs/dbraw/zinc/62/96/00/555629600.db2.gz QIOOMOJLIYAQLN-RWPZCVJISA-N 0 0 487.825 6.512 40 30 JKEBRN Clc1ccc(CN/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000010119142 555629805 /nfs/dbraw/zinc/62/98/05/555629805.db2.gz LPSAJKYQEPEBTE-BIZUNTBRSA-N 0 0 450.969 7.349 40 30 JKEBRN 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/nfs/dbraw/zinc/70/18/62/555701862.db2.gz GVESVIUXGZJYEM-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014133437 555701892 /nfs/dbraw/zinc/70/18/92/555701892.db2.gz JUJXSUAATULXBO-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014133477 555702061 /nfs/dbraw/zinc/70/20/61/555702061.db2.gz JISXQSVBISSBKG-UHFFFAOYSA-N 0 0 476.524 5.410 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133824 555702072 /nfs/dbraw/zinc/70/20/72/555702072.db2.gz LOJQYCYOCWEXPW-QFIPXVFZSA-N 0 0 498.052 5.284 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000014133475 555702175 /nfs/dbraw/zinc/70/21/75/555702175.db2.gz IXVWVISOBSPAAO-UHFFFAOYSA-N 0 0 465.604 5.000 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000014134232 555702439 /nfs/dbraw/zinc/70/24/39/555702439.db2.gz LOZGIGACTUULGZ-UHFFFAOYSA-N 0 0 480.634 5.604 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000014134212 555702445 /nfs/dbraw/zinc/70/24/45/555702445.db2.gz YJXKCJFJZVTXLC-UHFFFAOYSA-N 0 0 464.635 5.823 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000014134216 555702449 /nfs/dbraw/zinc/70/24/49/555702449.db2.gz AHZIVICCFPZCIE-UHFFFAOYSA-N 0 0 485.053 6.168 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000014134217 555702503 /nfs/dbraw/zinc/70/25/03/555702503.db2.gz MUYYIHZAJICEQB-UHFFFAOYSA-N 0 0 478.662 6.329 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000014134230 555702513 /nfs/dbraw/zinc/70/25/13/555702513.db2.gz SUQPTVZSTKIYBL-UHFFFAOYSA-N 0 0 495.605 5.422 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000014134239 555702691 /nfs/dbraw/zinc/70/26/91/555702691.db2.gz KVUKPJQEOUQAGZ-UHFFFAOYSA-N 0 0 471.026 5.859 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000014134241 555702726 /nfs/dbraw/zinc/70/27/26/555702726.db2.gz LXIJPEJPJFFIQQ-UHFFFAOYSA-N 0 0 495.605 5.422 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2Br)cc1 ZINC000014134292 555702733 /nfs/dbraw/zinc/70/27/33/555702733.db2.gz JRKQANALIHIYGG-FSJBWODESA-N 0 0 466.295 5.259 40 30 JKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2Br)c(Cl)c1 ZINC000014134290 555702808 /nfs/dbraw/zinc/70/28/08/555702808.db2.gz DQPSIWDZFWYZOO-OPEKNORGSA-N 0 0 490.188 6.657 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000014134235 555702834 /nfs/dbraw/zinc/70/28/34/555702834.db2.gz IRWDLJTXJSTQMY-UHFFFAOYSA-N 0 0 466.607 5.214 40 30 JKEBRN N#CCc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000014154536 555711823 /nfs/dbraw/zinc/71/18/23/555711823.db2.gz VHAMQCHJBYGOSH-UHFFFAOYSA-N 0 0 497.576 5.379 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000014271496 555766470 /nfs/dbraw/zinc/76/64/70/555766470.db2.gz HDWADXSHZPNEEE-GFCCVEGCSA-N 0 0 466.459 6.204 40 30 JKEBRN CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014271509 555766718 /nfs/dbraw/zinc/76/67/18/555766718.db2.gz SNFHOFARLUOJAG-QGZVFWFLSA-N 0 0 469.676 6.076 40 30 JKEBRN CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014271507 555766734 /nfs/dbraw/zinc/76/67/34/555766734.db2.gz SNFHOFARLUOJAG-KRWDZBQOSA-N 0 0 469.676 6.076 40 30 JKEBRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000014271514 555766741 /nfs/dbraw/zinc/76/67/41/555766741.db2.gz YZLXHLYWUOTTDD-LBPRGKRZSA-N 0 0 462.040 5.560 40 30 JKEBRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000014276457 555783584 /nfs/dbraw/zinc/78/35/84/555783584.db2.gz CWKLAQALAWEIMR-CQSZACIVSA-N 0 0 476.067 5.950 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Br)c3)sc2C1 ZINC000014276454 555783685 /nfs/dbraw/zinc/78/36/85/555783685.db2.gz KISVXHKSURILDZ-ZDUSSCGKSA-N 0 0 476.465 5.660 40 30 JKEBRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000014276455 555783698 /nfs/dbraw/zinc/78/36/98/555783698.db2.gz CWKLAQALAWEIMR-AWEZNQCLSA-N 0 0 476.067 5.950 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000014276465 555783704 /nfs/dbraw/zinc/78/37/04/555783704.db2.gz IQXFYXUPBNFJDD-HNNXBMFYSA-N 0 0 498.073 6.811 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000014276463 555783723 /nfs/dbraw/zinc/78/37/23/555783723.db2.gz IQXFYXUPBNFJDD-OAHLLOKOSA-N 0 0 498.073 6.811 40 30 JKEBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N ZINC000014276423 555783739 /nfs/dbraw/zinc/78/37/39/555783739.db2.gz CVKYZYFPTFCPPV-UHFFFAOYSA-N 0 0 474.405 5.288 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(I)ccc3Cl)sc2C1 ZINC000014279076 555790228 /nfs/dbraw/zinc/79/02/28/555790228.db2.gz IDOUSIFCQGTFCR-LLVKDONJSA-N 0 0 498.817 6.281 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000014395459 555801926 /nfs/dbraw/zinc/80/19/26/555801926.db2.gz IOHGUHDHUYKPBZ-UHFFFAOYSA-N 0 0 493.814 5.190 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)ccc1OC ZINC000014399134 555804565 /nfs/dbraw/zinc/80/45/65/555804565.db2.gz RGXRGMCSRZQBNA-UHFFFAOYSA-N 0 0 450.560 5.094 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)ccc1OC ZINC000014400348 555805795 /nfs/dbraw/zinc/80/57/95/555805795.db2.gz ZOFIRTLQWPUBNF-UHFFFAOYSA-N 0 0 450.560 5.094 40 30 JKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408082 555808845 /nfs/dbraw/zinc/80/88/45/555808845.db2.gz PCXAUFIWWORPDT-LKGWIEHISA-N 0 0 486.571 5.853 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000014408473 555809171 /nfs/dbraw/zinc/80/91/71/555809171.db2.gz IYEVKJAZGLTQDU-UXHLAJHPSA-N 0 0 481.349 7.010 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(C)c(Br)c1 ZINC000014408838 555809508 /nfs/dbraw/zinc/80/95/08/555809508.db2.gz IZGXKMHSJRBVFI-SSDVNMTOSA-N 0 0 472.299 5.427 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000014408836 555809557 /nfs/dbraw/zinc/80/95/57/555809557.db2.gz JUVDSMJENOXPDM-VULFUBBASA-N 0 0 476.876 6.335 40 30 JKEBRN COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000014671916 555837823 /nfs/dbraw/zinc/83/78/23/555837823.db2.gz YIDPZLWSAFHHFI-NDEPHWFRSA-N 0 0 471.622 7.176 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Br)cc1 ZINC000021927219 555857066 /nfs/dbraw/zinc/85/70/66/555857066.db2.gz NSRHTJJADKUJOT-UHFFFAOYSA-N 0 0 471.424 5.550 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(Br)cc1 ZINC000021996426 555860170 /nfs/dbraw/zinc/86/01/70/555860170.db2.gz CKBOFVXFUZCEAZ-UHFFFAOYSA-N 0 0 477.815 5.586 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Br)cc1 ZINC000021996430 555860202 /nfs/dbraw/zinc/86/02/02/555860202.db2.gz OWKHRPYQURMVSW-UHFFFAOYSA-N 0 0 461.360 5.072 40 30 JKEBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2(C=Nc2ccccc2)c2ccccc21 ZINC000015223666 555885822 /nfs/dbraw/zinc/88/58/22/555885822.db2.gz OIHKCXFJPFFNMS-CJWNEDCRSA-N 0 0 488.974 6.293 40 30 JKEBRN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cccc4ccccc43)C12 ZINC000022529365 555931237 /nfs/dbraw/zinc/93/12/37/555931237.db2.gz PGNGSBGQJJYYRP-QKKBWIMNSA-N 0 0 450.420 5.459 40 30 JKEBRN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cccc4ccccc43)C12 ZINC000022529378 555931273 /nfs/dbraw/zinc/93/12/73/555931273.db2.gz PGNGSBGQJJYYRP-SZNDQCEHSA-N 0 0 450.420 5.459 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3cccc(C)c3)C2)cc1 ZINC000022536074 555933629 /nfs/dbraw/zinc/93/36/29/555933629.db2.gz ZFYBVNLQOQNTJE-HRAATJIYSA-N 0 0 454.452 5.030 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3cccc(C)c3)C2)cc1 ZINC000022536083 555933659 /nfs/dbraw/zinc/93/36/59/555933659.db2.gz ZFYBVNLQOQNTJE-IERDGZPVSA-N 0 0 454.452 5.030 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000022563773 555934903 /nfs/dbraw/zinc/93/49/03/555934903.db2.gz JDHHXIBFEPHVNK-LSHDLFTRSA-N 0 0 457.206 5.704 40 30 JKEBRN O=c1[nH]c2ccccc2c2c1[C@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3s1)N2 ZINC000022564739 555935595 /nfs/dbraw/zinc/93/55/95/555935595.db2.gz GFZPXETWPHOBQO-FQEVSTJZSA-N 0 0 457.946 5.583 40 30 JKEBRN O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000022572385 555937749 /nfs/dbraw/zinc/93/77/49/555937749.db2.gz DYONAYFGVIMQGC-GOTSBHOMSA-N 0 0 463.552 6.314 40 30 JKEBRN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022708458 555944776 /nfs/dbraw/zinc/94/47/76/555944776.db2.gz YBGBTFPTDMUZRI-URAOTHONSA-N 0 0 472.592 7.057 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)c(OC)c1 ZINC000022748719 555952133 /nfs/dbraw/zinc/95/21/33/555952133.db2.gz HRWGCIRYXNHPDW-JWRCQZCYSA-N 0 0 490.563 5.951 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1Cl ZINC000022755787 555953681 /nfs/dbraw/zinc/95/36/81/555953681.db2.gz AGAFYPORFIVCTA-RNVIBTMRSA-N 0 0 496.057 6.493 40 30 JKEBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N=NCc1ccc(OC(F)F)cc1 ZINC000012537666 556010945 /nfs/dbraw/zinc/01/09/45/556010945.db2.gz KRFGHMSVBBMNDN-WYMPLXKRSA-N 0 0 496.879 5.096 40 30 JKEBRN CCCCN1C(=O)c2ccc(C(=O)N3CCCS/C3=N\c3ccc(C)c(Cl)c3)cc2C1=O ZINC000012541817 556016502 /nfs/dbraw/zinc/01/65/02/556016502.db2.gz HJLNULMXDAOBSY-LCUIJRPUSA-N 0 0 469.994 5.311 40 30 JKEBRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C ZINC000012541840 556016802 /nfs/dbraw/zinc/01/68/02/556016802.db2.gz CDTKHEGVRATSPZ-SGEDCAFJSA-N 0 0 481.065 6.592 40 30 JKEBRN COc1cc(/C=N/n2c(-c3ccc(Br)s3)cs/c2=N\C(C)C)cc(OC)c1OC ZINC000012566430 556064082 /nfs/dbraw/zinc/06/40/82/556064082.db2.gz SHNWMRNIFKPUAZ-NJMQAVEDSA-N 0 0 496.452 5.258 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000015920263 556067296 /nfs/dbraw/zinc/06/72/96/556067296.db2.gz HWKQYZLDQPUMCD-DEOSSOPVSA-N 0 0 477.582 5.149 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000015920264 556067313 /nfs/dbraw/zinc/06/73/13/556067313.db2.gz HWKQYZLDQPUMCD-XMMPIXPASA-N 0 0 477.582 5.149 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000015920287 556067621 /nfs/dbraw/zinc/06/76/21/556067621.db2.gz KOAKZCWMFMYTTI-VWLOTQADSA-N 0 0 489.568 5.415 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3cccs3)c2c1 ZINC000015920311 556067791 /nfs/dbraw/zinc/06/77/91/556067791.db2.gz SEJPAJIAUBFHGQ-XMMPIXPASA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccn3)c2c1 ZINC000015920449 556068711 /nfs/dbraw/zinc/06/87/11/556068711.db2.gz IHGSFKXNCMAQRS-DEOSSOPVSA-N 0 0 487.943 5.046 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccs3)c2c1 ZINC000015920442 556068857 /nfs/dbraw/zinc/06/88/57/556068857.db2.gz SDPYQSHRDQXRFY-HSZRJFAPSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccs3)c2c1 ZINC000015920441 556068891 /nfs/dbraw/zinc/06/88/91/556068891.db2.gz SDPYQSHRDQXRFY-QHCPKHFHSA-N 0 0 476.529 5.198 40 30 JKEBRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000012600559 556090311 /nfs/dbraw/zinc/09/03/11/556090311.db2.gz CPMATKLNUCDMGV-DWLFOUALSA-N 0 0 451.588 5.870 40 30 JKEBRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1OC ZINC000012847065 556117500 /nfs/dbraw/zinc/11/75/00/556117500.db2.gz ZCTSHQSVWSTDNY-KNQAVFIVSA-N 0 0 499.493 5.269 40 30 JKEBRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]2C1 ZINC000012869765 556120934 /nfs/dbraw/zinc/12/09/34/556120934.db2.gz RMIVRCBSQPCSCQ-LQZDNLFBSA-N 0 0 484.721 6.501 40 30 biogenic JKEBRN CCOc1cc(CN=Nc2ncc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)OC)o1 ZINC000012898342 556125561 /nfs/dbraw/zinc/12/55/61/556125561.db2.gz ZRRRPGTVTWWOPL-KIBLKLHPSA-N 0 0 464.305 5.192 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1Br ZINC000016268638 556131683 /nfs/dbraw/zinc/13/16/83/556131683.db2.gz LTLJFPYHPNGNMW-NHDPSOOVSA-N 0 0 458.272 5.119 40 30 JKEBRN CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000016321519 556135132 /nfs/dbraw/zinc/13/51/32/556135132.db2.gz CLHGIBXECOSZAZ-DHRITJCHSA-N 0 0 457.755 6.108 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000024543274 556135533 /nfs/dbraw/zinc/13/55/33/556135533.db2.gz CLBJLFFOKMSWED-NDEPHWFRSA-N 0 0 463.537 6.739 40 30 JKEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cc(Br)ccc1OCc1ccccc1 ZINC000016480597 556140334 /nfs/dbraw/zinc/14/03/34/556140334.db2.gz LGPBEAUPAHTVEX-UHFFFAOYSA-N 0 0 494.352 5.822 40 30 JKEBRN N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1ccc(Br)cc1 ZINC000016492385 556141201 /nfs/dbraw/zinc/14/12/01/556141201.db2.gz ZVHXATPIPBSWKO-UHFFFAOYSA-N 0 0 451.327 6.389 40 30 JKEBRN c1c2ccccc2n(C[C@H](CN(c2ccccc2)c2ccccc2)OC[C@H]2CO2)c1-c1ccccc1 ZINC000016492855 556141549 /nfs/dbraw/zinc/14/15/49/556141549.db2.gz RAXSXZWSSVQMFN-KYJUHHDHSA-N 0 0 474.604 6.931 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016692740 556153730 /nfs/dbraw/zinc/15/37/30/556153730.db2.gz RCDGHKBQHKJXLT-AFUMVMLFSA-N 0 0 474.498 5.392 40 30 JKEBRN Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000016953520 556184130 /nfs/dbraw/zinc/18/41/30/556184130.db2.gz NIPPLOVLPVYPFT-ITYLOYPMSA-N 0 0 483.525 5.312 40 30 JKEBRN O=[N+]([O-])c1c(C=NNc2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000016958080 556189184 /nfs/dbraw/zinc/18/91/84/556189184.db2.gz KGUAPQNIHXQLAW-RPPGKUMJSA-N 0 0 471.425 5.425 40 30 JKEBRN C=CCC1(Sc2ccccn2)Sc2ccc3ccccc3c2-c2c(ccc3ccccc32)S1 ZINC000013002307 556195410 /nfs/dbraw/zinc/19/54/10/556195410.db2.gz UMQNVHSACBSHET-UHFFFAOYSA-N 0 0 479.695 9.275 40 30 JKEBRN COc1cc(CN=Nc2ncnc3sc(C)c(C)c32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000025423570 556214651 /nfs/dbraw/zinc/21/46/51/556214651.db2.gz HPLYLMYTZJVCLR-KKMKTNMSSA-N 0 0 496.614 5.147 40 30 JKEBRN CC1=C/C(=N\N=C2C=CC(C)(C(Cl)(Cl)Cl)C=C2)C=C[C@]1(C)C(Cl)(Cl)Cl ZINC000017060736 556214749 /nfs/dbraw/zinc/21/47/49/556214749.db2.gz YPRVSWSSMZWLTJ-VURVHVENSA-N 0 0 461.047 7.179 40 30 JKEBRN O=C(CNN1C(=O)CS/C1=N\c1cccc2ccccc21)c1cccc2c1Nc1ccccc1S2 ZINC000017105869 556216968 /nfs/dbraw/zinc/21/69/68/556216968.db2.gz VPXXNWLUZZTBDD-IKPAITLHSA-N 0 0 496.617 5.998 40 30 JKEBRN O=C(C/C(=N\CCC/N=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017120082 556218933 /nfs/dbraw/zinc/21/89/33/556218933.db2.gz IJHWWDFVZSRDBB-AUFVIBPZSA-N 0 0 486.615 6.901 40 30 JKEBRN CCSc1nc2ccc(/N=C\c3ccc(NS(=O)(=O)c4ccccc4)cc3O)cc2s1 ZINC000017125662 556220933 /nfs/dbraw/zinc/22/09/33/556220933.db2.gz OSGZJZDYUJJJIG-UCQKPKSFSA-N 0 0 469.613 5.665 40 30 JKEBRN CCCCN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C\c2ccc(Br)cc2)C1 ZINC000017126723 556220944 /nfs/dbraw/zinc/22/09/44/556220944.db2.gz GKKJKAMKDCHOIM-LRVMPXQBSA-N 0 0 489.251 6.363 40 30 JKEBRN CCCCN1C/C(=C/c2ccc(Br)cc2)C(=O)/C(=C\c2ccc(Br)cc2)C1 ZINC000017126726 556220953 /nfs/dbraw/zinc/22/09/53/556220953.db2.gz GKKJKAMKDCHOIM-AXPXABNXSA-N 0 0 489.251 6.363 40 30 JKEBRN CCO/C(=N\c1ccc(OCC)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017139525 556224749 /nfs/dbraw/zinc/22/47/49/556224749.db2.gz MBAGVOTZDUJBPE-OWWNRXNESA-N 0 0 467.634 7.835 40 30 JKEBRN Cc1nc(-c2nc(C)c(C(=O)/C=C\c3ccc(C)cc3)s2)sc1C(=O)/C=C\c1ccc(C)cc1 ZINC000017210668 556241811 /nfs/dbraw/zinc/24/18/11/556241811.db2.gz GVTZGBOVXHXOOH-VMNXYWKNSA-N 0 0 484.646 7.292 40 30 JKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)cc1 ZINC000017211062 556241830 /nfs/dbraw/zinc/24/18/30/556241830.db2.gz KTCVSODVBJGAAV-TURZUDJPSA-N 0 0 475.570 5.031 40 30 JKEBRN O=C(/C=C/c1ccc(OCCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000017216296 556242435 /nfs/dbraw/zinc/24/24/35/556242435.db2.gz PGRWJZWSBPJOHK-SWRBISBUSA-N 0 0 488.583 7.327 40 30 JKEBRN CCOC(=O)/C(=C/N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S)C(=O)c1ccccc1 ZINC000017223347 556242851 /nfs/dbraw/zinc/24/28/51/556242851.db2.gz MOQCUFDHYCMUQJ-LALMALAQSA-N 0 0 463.580 5.164 40 30 JKEBRN COc1ccc(C(N=Nc2ccccc2)=C(NNc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000017288577 556251372 /nfs/dbraw/zinc/25/13/72/556251372.db2.gz OOLDGFBZCQRYGL-GYNJYFOTSA-N 0 0 450.542 6.036 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccc(Cl)c2)nc1 ZINC000026456533 556254035 /nfs/dbraw/zinc/25/40/35/556254035.db2.gz DKRLPGAJVJPKQV-AVRWGWEMSA-N 0 0 473.960 5.637 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccc(F)c2)nc1 ZINC000026456545 556254058 /nfs/dbraw/zinc/25/40/58/556254058.db2.gz XRTMECWNIUCASO-AVRWGWEMSA-N 0 0 457.505 5.122 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2F)nc1 ZINC000026456518 556254163 /nfs/dbraw/zinc/25/41/63/556254163.db2.gz MYTVNXGTSKSJQK-NSYGIPOTSA-N 0 0 457.505 5.122 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000026593491 556257816 /nfs/dbraw/zinc/25/78/16/556257816.db2.gz PDJGPFOQILXEBR-UNOMPAQXSA-N 0 0 490.444 5.732 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S ZINC000026593297 556257864 /nfs/dbraw/zinc/25/78/64/556257864.db2.gz HBVJGDZRQYRVSH-ODLFYWEKSA-N 0 0 466.411 5.968 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000026681035 556259086 /nfs/dbraw/zinc/25/90/86/556259086.db2.gz LEGQPIVAZLMFCF-UNOMPAQXSA-N 0 0 490.444 5.732 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000026743956 556260101 /nfs/dbraw/zinc/26/01/01/556260101.db2.gz HCCFBMSPWCOARX-WQRHYEAKSA-N 0 0 466.411 5.968 40 30 JKEBRN C/C(=N\N(CCCCN(/N=C(/C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017417785 556260484 /nfs/dbraw/zinc/26/04/84/556260484.db2.gz GXMHQWLRHZPXTR-DENOHBPFSA-N 0 0 474.652 7.628 40 30 JKEBRN Clc1c(Cl)c(C=NNc2ccccc2)c(Cl)c(Cl)c1C=NNc1ccccc1 ZINC000017418405 556260723 /nfs/dbraw/zinc/26/07/23/556260723.db2.gz WEONFQPMSITWDF-KOZSXFMUSA-N 0 0 452.172 7.192 40 30 JKEBRN C(=N/c1ccc(-c2csc(-c3ccccc3)n2)cc1)\c1ccc(N2CCC3(CCCCC3)CC2)cc1 ZINC000017747268 556265891 /nfs/dbraw/zinc/26/58/91/556265891.db2.gz SNSQRHHXFCRYIN-GZZLJNBRSA-N 0 0 491.704 8.778 40 30 JKEBRN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000017877303 556269441 /nfs/dbraw/zinc/26/94/41/556269441.db2.gz LYXWWVMGVFTFRM-JXDROGBKSA-N 0 0 460.515 5.068 40 30 JKEBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(/N=C\c4ccc(Cl)cc4)cc3)o2)cc1 ZINC000017888161 556270042 /nfs/dbraw/zinc/27/00/42/556270042.db2.gz NAVXKXFXBWVMPF-WGARJPEWSA-N 0 0 478.961 5.880 40 30 JKEBRN O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccccc1 ZINC000018021197 556277252 /nfs/dbraw/zinc/27/72/52/556277252.db2.gz SERYNPDZLRAPAC-RDRPBHBLSA-N 0 0 485.381 6.748 40 30 JKEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)c2cccc3ccccc32)n1 ZINC000018063818 556282214 /nfs/dbraw/zinc/28/22/14/556282214.db2.gz DYBOWUOZPLFTRK-UHFFFAOYSA-N 0 0 480.547 5.308 40 30 JKEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000018155235 556295222 /nfs/dbraw/zinc/29/52/22/556295222.db2.gz UDXHIZDBJLXNNF-DEOSSOPVSA-N 0 0 460.574 5.255 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(OC)c1OC ZINC000018178492 556298810 /nfs/dbraw/zinc/29/88/10/556298810.db2.gz DORCDUVWQJTDCK-YSMPRRRNSA-N 0 0 456.608 5.466 40 30 JKEBRN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)cc1OC ZINC000027644571 556301714 /nfs/dbraw/zinc/30/17/14/556301714.db2.gz ORKWFFAGHRQRSF-OAQYLSRUSA-N 0 0 456.612 5.236 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182555 556316401 /nfs/dbraw/zinc/31/64/01/556316401.db2.gz WVQQGAOQVVHTDO-ZRGSRPPYSA-N 0 0 459.929 6.518 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC)cc4)c3C)C2=O)c2ccccc21 ZINC000028182544 556316407 /nfs/dbraw/zinc/31/64/07/556316407.db2.gz JOBCAJKCNVJEHO-YSMPRRRNSA-N 0 0 467.521 5.951 40 30 JKEBRN COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1 ZINC000028182457 556316423 /nfs/dbraw/zinc/31/64/23/556316423.db2.gz KJACUDCEGZZFEZ-ZMFRSBBQSA-N 0 0 483.520 5.477 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182557 556316428 /nfs/dbraw/zinc/31/64/28/556316428.db2.gz YRUQNBZGXSDCKU-WKIKZPBSSA-N 0 0 455.510 5.874 40 30 JKEBRN Cc1c2c(ccc1OCc1ccc(Br)cc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182618 556316655 /nfs/dbraw/zinc/31/66/55/556316655.db2.gz SZSHKCJSCAQPOO-CFRMEGHHSA-N 0 0 474.354 6.444 40 30 JKEBRN S=c1n(-c2ccccc2)s/c(=N\C(=N\c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000018255907 556317217 /nfs/dbraw/zinc/31/72/17/556317217.db2.gz MTGNIZUYHSUVDH-MGZNUUIQSA-N 0 0 464.619 6.738 40 30 JKEBRN Clc1nc(COc2ccc(/C=N/c3cccc4ccccc43)cc2)nc2sc3c(c21)CCCC3 ZINC000028219473 556325527 /nfs/dbraw/zinc/32/55/27/556325527.db2.gz TZPSKVAVCLGHPT-OKCVXOCRSA-N 0 0 484.024 7.706 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1 ZINC000028219493 556325735 /nfs/dbraw/zinc/32/57/35/556325735.db2.gz BMJNRJIGQBFDLV-RWPZCVJISA-N 0 0 478.017 6.952 40 30 JKEBRN C/C1=C\[C@@H](C)CC[C@H]2O[C@@H](C3=C(O)C(=O)C(C)=C4O[C@](O)(C=C43)[C@@H](C)C[C@H](C)C1)[C@H](C)[C@@H](O)[C@H]2C ZINC000028536590 556335264 /nfs/dbraw/zinc/33/52/64/556335264.db2.gz HKLDUJXJTQJSEJ-OLXNOMCWSA-N 0 0 486.649 5.130 40 30 in-vitro JKEBRN COc1ccc([C@H](C#N)N2CCCN([C@H](C#N)c3ccc(OC)cc3)C2c2ccccc2OC)cc1 ZINC000019325965 556341238 /nfs/dbraw/zinc/34/12/38/556341238.db2.gz CSPBGFHJRVRVSW-JSFNERCOSA-N 0 0 482.584 5.248 40 30 JKEBRN C=CCc1cccc(C2N(Cc3ccccc3OC)CCCN2Cc2ccccc2OC)c1O ZINC000019326096 556341816 /nfs/dbraw/zinc/34/18/16/556341816.db2.gz HEZGUTATCZEQCE-UHFFFAOYSA-N 0 0 458.602 5.545 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000030823049 556375495 /nfs/dbraw/zinc/37/54/95/556375495.db2.gz ANBXURXHVJUYDJ-SANMLTNESA-N 0 0 476.573 5.831 40 30 JKEBRN CC(=O)OCCN(CCC#N)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000031308273 556395746 /nfs/dbraw/zinc/39/57/46/556395746.db2.gz ROPYWXVRNREIQD-WCWDXBQESA-N 0 0 450.282 5.600 40 30 JKEBRN O=C1C(=O)C(C(C=Cc2ccccc2)=C2C(=O)c3ccccc3C(=O)C2O)C(=O)c2ccccc21 ZINC000031687842 556401852 /nfs/dbraw/zinc/40/18/52/556401852.db2.gz JQEIFQZQFOIUJA-PFONDFGASA-N 0 0 462.457 5.099 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cc3cccc4ccccc43)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000031723536 556402324 /nfs/dbraw/zinc/40/23/24/556402324.db2.gz NKTZDNMXXDMMGF-CLIBWDEDSA-N 0 0 464.481 6.502 40 30 JKEBRN COc1ccc(/C=C2\CC[C@@H](C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC ZINC000031894678 556409331 /nfs/dbraw/zinc/40/93/31/556409331.db2.gz IDUMFZXQINSGQR-PUMYGXPMSA-N 0 0 471.557 5.675 40 30 JKEBRN O=C1/C(=C\c2ccc(N3CCCC3)o2)S/C(=N\c2cccc(Cl)c2)N1c1cccc(Cl)c1 ZINC000032106971 556418193 /nfs/dbraw/zinc/41/81/93/556418193.db2.gz FCACWSYIHRGULS-KLUIENCOSA-N 0 0 484.408 6.995 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O ZINC000032111915 556420886 /nfs/dbraw/zinc/42/08/86/556420886.db2.gz GSFFOFBUDDDIMI-LSHDLFTRSA-N 0 0 484.188 5.661 40 30 JKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115567 556423072 /nfs/dbraw/zinc/42/30/72/556423072.db2.gz HQVSPYGDWPTAHO-YPXUMCKCSA-N 0 0 463.267 6.935 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(-c4ccc(C=O)o4)cc3)sc2C1 ZINC000032124626 556427455 /nfs/dbraw/zinc/42/74/55/556427455.db2.gz BMYHJTYZSAFIRJ-GOSISDBHSA-N 0 0 490.581 5.639 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000032124712 556427661 /nfs/dbraw/zinc/42/76/61/556427661.db2.gz MEOWBFQEIBOGQU-HYARGMPZSA-N 0 0 477.567 5.955 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)C3CCN4CC3)cc2[N+](=O)[O-])cc1 ZINC000032124723 556427678 /nfs/dbraw/zinc/42/76/78/556427678.db2.gz SSUMNNXSWKLTJI-VULFUBBASA-N 0 0 460.584 6.436 40 30 JKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1C#N ZINC000032136072 556432744 /nfs/dbraw/zinc/43/27/44/556432744.db2.gz MKEAMIWARMRKEL-MXAYSNPKSA-N 0 0 481.306 5.263 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccnc3)c2-c2ccccc2)cc1 ZINC000032138986 556432852 /nfs/dbraw/zinc/43/28/52/556432852.db2.gz GKEHLHLYOSSNIZ-QNKGDIEWSA-N 0 0 471.560 7.134 40 30 JKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501212 560037884 /nfs/dbraw/zinc/03/78/84/560037884.db2.gz ODSSDTBFHAYYMD-VSMKUEAOSA-N 0 0 468.766 8.596 40 30 biogenic,in-vitro JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3ncnc4c3cnn4-c3ccccc3Cl)sc2C1 ZINC000008677216 562950630 /nfs/dbraw/zinc/95/06/30/562950630.db2.gz ZAISXQJNQZTCJU-ZDUSSCGKSA-N 0 0 495.033 5.258 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C[C@@]12C#N ZINC000008666538 569592650 /nfs/dbraw/zinc/59/26/50/569592650.db2.gz FVGRHJMGMRLGAA-AKIFATBCSA-N 0 0 453.681 5.346 40 30 JKEBRN CCCCCCCCOc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 ZINC000008686666 569592969 /nfs/dbraw/zinc/59/29/69/569592969.db2.gz YULXTJZGDHMSME-GJHDXROTSA-N 0 0 460.578 5.935 40 30 JKEBRN CN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000008722739 569599037 /nfs/dbraw/zinc/59/90/37/569599037.db2.gz ZTJOPTYFQIPKPQ-HZHQRTMQSA-N 0 0 497.418 5.001 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000059193858 569602367 /nfs/dbraw/zinc/60/23/67/569602367.db2.gz GREIBWFZMCSCFJ-OGLMXYFKSA-N 0 0 487.581 6.191 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059193861 569602369 /nfs/dbraw/zinc/60/23/69/569602369.db2.gz JKKWFLDQAMDQDZ-JVWAILMASA-N 0 0 457.555 6.101 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059193868 569602376 /nfs/dbraw/zinc/60/23/76/569602376.db2.gz MQWVXGSVCNQETD-JVWAILMASA-N 0 0 457.555 6.101 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccccc4Br)cc3)n2)cc1 ZINC000059387384 569602761 /nfs/dbraw/zinc/60/27/61/569602761.db2.gz YTTYMLXAJZZBBY-VULFUBBASA-N 0 0 492.398 6.546 40 30 JKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059301915 569602833 /nfs/dbraw/zinc/60/28/33/569602833.db2.gz DEGVUHBDPMTSNU-KBVAKVRCSA-N 0 0 485.628 7.485 40 30 JKEBRN Fc1ccccc1COc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000059418087 569602928 /nfs/dbraw/zinc/60/29/28/569602928.db2.gz LQWZPPVYVQLAPU-WYMPLXKRSA-N 0 0 456.340 6.223 40 30 JKEBRN Oc1ccc(Cc2ccccc2)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000059417902 569602940 /nfs/dbraw/zinc/60/29/40/569602940.db2.gz SRBFYPLMCPQYFA-ZTKZIYFRSA-N 0 0 479.588 5.348 40 30 JKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000059418035 569602972 /nfs/dbraw/zinc/60/29/72/569602972.db2.gz BMRYAMNNOHQTKF-FYJGNVAPSA-N 0 0 483.362 6.059 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000059418045 569602976 /nfs/dbraw/zinc/60/29/76/569602976.db2.gz VDHOYEOKLRSTHC-LPYMAVHISA-N 0 0 485.392 6.473 40 30 JKEBRN Fc1ccccc1COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000059418308 569603166 /nfs/dbraw/zinc/60/31/66/569603166.db2.gz WRCSCRVZGZBEGY-VUTHCHCSSA-N 0 0 489.599 5.016 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCC4)n3)o2)cc1 ZINC000059418361 569603306 /nfs/dbraw/zinc/60/33/06/569603306.db2.gz GJPXGIUJHPUCLG-MTDXEUNCSA-N 0 0 497.559 5.098 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000059426300 569603489 /nfs/dbraw/zinc/60/34/89/569603489.db2.gz PLIBFJLJAHACLS-RUMWWMSVSA-N 0 0 491.432 8.633 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 ZINC000059426340 569603566 /nfs/dbraw/zinc/60/35/66/569603566.db2.gz TXOXPFMTUKKMSF-NJZRLIGZSA-N 0 0 457.533 7.779 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cc(C)cc(C)c4)NC3=O)c2C)cc1 ZINC000059427426 569603600 /nfs/dbraw/zinc/60/36/00/569603600.db2.gz XDOMJEQAUBHDGZ-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)nc1 ZINC000059427526 569603638 /nfs/dbraw/zinc/60/36/38/569603638.db2.gz ZDRVFECCOJZJOT-FDAWAROLSA-N 0 0 493.954 7.214 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)c2C)cc1 ZINC000059427425 569603703 /nfs/dbraw/zinc/60/37/03/569603703.db2.gz TYEGQWZBIZZJPT-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)S2)c1 ZINC000059426793 569603711 /nfs/dbraw/zinc/60/37/11/569603711.db2.gz GPZAXYTZNOEEMQ-UCQKPKSFSA-N 0 0 493.426 6.537 40 30 JKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)c1 ZINC000059459442 569604094 /nfs/dbraw/zinc/60/40/94/569604094.db2.gz LRIDVVURBBVSMF-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c(C)c1 ZINC000059461309 569604254 /nfs/dbraw/zinc/60/42/54/569604254.db2.gz LYWUOHOQGLEQJB-UVHMKAGCSA-N 0 0 480.058 7.356 40 30 JKEBRN COc1ccc(C=NNc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl ZINC000059462527 569604302 /nfs/dbraw/zinc/60/43/02/569604302.db2.gz CIFUAPKILUSATJ-BRJLIKDPSA-N 0 0 458.370 6.637 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463732 569604304 /nfs/dbraw/zinc/60/43/04/569604304.db2.gz AVSUILGWYIOBOJ-ZMOGYAJESA-N 0 0 464.890 6.698 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463690 569604315 /nfs/dbraw/zinc/60/43/15/569604315.db2.gz PIXLUKXEOPFBDP-AFUMVMLFSA-N 0 0 478.371 7.207 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463750 569604332 /nfs/dbraw/zinc/60/43/32/569604332.db2.gz PAAPDBPGWZYSPP-AFUMVMLFSA-N 0 0 494.370 6.907 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463713 569604335 /nfs/dbraw/zinc/60/43/35/569604335.db2.gz GJOXVFITSQVQII-DHRITJCHSA-N 0 0 454.338 7.443 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463692 569604344 /nfs/dbraw/zinc/60/43/44/569604344.db2.gz KMOWGOUGZGAXNJ-AFUMVMLFSA-N 0 0 478.371 7.207 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000059463797 569604454 /nfs/dbraw/zinc/60/44/54/569604454.db2.gz QSNWJAHGTCJTLK-JFLMPSFJSA-N 0 0 473.554 6.770 40 30 JKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC(=O)c3ccccc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000059474877 569604609 /nfs/dbraw/zinc/60/46/09/569604609.db2.gz KVWPMKGEAPIEFO-UHFFFAOYSA-N 0 0 483.608 6.221 40 30 JKEBRN COc1ccc(C(=O)Oc2ccc(/C=N/c3cn(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 ZINC000059483145 569604853 /nfs/dbraw/zinc/60/48/53/569604853.db2.gz UTFXBUPOLMLBRP-AJBULDERSA-N 0 0 473.532 6.518 40 30 JKEBRN Clc1ccc(-c2csc(/N=C/c3c(OCc4ccccc4Cl)ccc4ccccc43)n2)cc1 ZINC000059483034 569604868 /nfs/dbraw/zinc/60/48/68/569604868.db2.gz DLZHQVGXQSLBLT-FJEPWZHXSA-N 0 0 489.427 8.600 40 30 JKEBRN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3s2)cc1 ZINC000059483393 569604968 /nfs/dbraw/zinc/60/49/68/569604968.db2.gz SKXFYGULRVWEBS-BRJLIKDPSA-N 0 0 484.002 6.145 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)cc1Cl ZINC000059483464 569604982 /nfs/dbraw/zinc/60/49/82/569604982.db2.gz LVRMFABVOBUNJH-BRJLIKDPSA-N 0 0 497.001 6.648 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccccc4)sc3c2)ccc1N1CCOCC1 ZINC000059483332 569605008 /nfs/dbraw/zinc/60/50/08/569605008.db2.gz PZFXYTHKNIEYPZ-WGOQTCKBSA-N 0 0 490.610 6.084 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SC(c4ccccc4)c4ccccc4)sc3c2)c1 ZINC000059483350 569605012 /nfs/dbraw/zinc/60/50/12/569605012.db2.gz UVKQVMVARYARCR-MTDXEUNCSA-N 0 0 481.602 7.837 40 30 JKEBRN Fc1cccc(Cl)c1/C=N/c1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000059483356 569605013 /nfs/dbraw/zinc/60/50/13/569605013.db2.gz VWWOYKSAVNKOCI-OCSSWDANSA-N 0 0 489.040 8.721 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000059484256 569605046 /nfs/dbraw/zinc/60/50/46/569605046.db2.gz UPUMJIMDAYYEOW-ZVHZXABRSA-N 0 0 479.359 6.594 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3cc(Br)ccc3O)nc2-c2ccccc2)cc1 ZINC000059484266 569605055 /nfs/dbraw/zinc/60/50/55/569605055.db2.gz YZDINMAFAXWHSL-ZMOGYAJESA-N 0 0 495.358 6.299 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc(Br)c1OCC ZINC000059484485 569605071 /nfs/dbraw/zinc/60/50/71/569605071.db2.gz IHTKKWILZDZUKF-DHRITJCHSA-N 0 0 467.319 5.030 40 30 JKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059484270 569605077 /nfs/dbraw/zinc/60/50/77/569605077.db2.gz RXRQGLMNLNONOU-YZSQISJMSA-N 0 0 456.527 6.396 40 30 JKEBRN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000059484212 569605079 /nfs/dbraw/zinc/60/50/79/569605079.db2.gz 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CCOc1cc(C=NNc2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000059536537 569606617 /nfs/dbraw/zinc/60/66/17/569606617.db2.gz YYIFBIMPCVVQLW-OGLMXYFKSA-N 0 0 475.386 7.026 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000059536788 569606785 /nfs/dbraw/zinc/60/67/85/569606785.db2.gz QPILTTKCWXEUNL-NUGSKGIGSA-N 0 0 491.238 5.161 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000059566850 569606862 /nfs/dbraw/zinc/60/68/62/569606862.db2.gz COCNGNXOXYYQAN-BKUYFWCQSA-N 0 0 485.440 6.359 40 30 JKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000059566337 569606888 /nfs/dbraw/zinc/60/68/88/569606888.db2.gz VKTADLFNRRZGKJ-LPYMAVHISA-N 0 0 482.363 6.747 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059566847 569606902 /nfs/dbraw/zinc/60/69/02/569606902.db2.gz YKNQCJASGVSWQM-CIAFOILYSA-N 0 0 470.425 6.909 40 30 JKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)o1 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ZINC000035147492 569676158 /nfs/dbraw/zinc/67/61/58/569676158.db2.gz UNEOLCCLFSNAMU-RUZDIDTESA-N 0 0 481.508 5.206 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3cccs3)c2c1 ZINC000035164103 569676381 /nfs/dbraw/zinc/67/63/81/569676381.db2.gz HMOZOMVZDJFSSI-CJVCNUQRSA-N 0 0 484.577 5.459 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3Cl)c2c1 ZINC000035164183 569676392 /nfs/dbraw/zinc/67/63/92/569676392.db2.gz VGVQVTNQLMGMCI-HSZRJFAPSA-N 0 0 492.984 5.712 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035164073 569676403 /nfs/dbraw/zinc/67/64/03/569676403.db2.gz PMNVDPFJAXSWJW-LQCSZWMHSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3F)c2c1 ZINC000035164897 569676762 /nfs/dbraw/zinc/67/67/62/569676762.db2.gz RDDOPFNOTXYQEI-VWLOTQADSA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164959 569676820 /nfs/dbraw/zinc/67/68/20/569676820.db2.gz NMIWAMPDFCSIPS-HHHXNRCGSA-N 0 0 480.564 5.614 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164854 569676823 /nfs/dbraw/zinc/67/68/23/569676823.db2.gz UIYAGXFNVAWCNW-AREMUKBSSA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)c2c1 ZINC000035164973 569676833 /nfs/dbraw/zinc/67/68/33/569676833.db2.gz SBDZAEDQTKXMEI-HHHXNRCGSA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccs3)c2c1 ZINC000035165215 569676879 /nfs/dbraw/zinc/67/68/79/569676879.db2.gz SRNIUXXTAORRHB-QHCPKHFHSA-N 0 0 492.984 5.712 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035165074 569676893 /nfs/dbraw/zinc/67/68/93/569676893.db2.gz ZOHZVSXSVWPHCQ-AREMUKBSSA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035165122 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JKEBRN Oc1cccc(/C=N/c2ccc(CCc3ccc(/N=C/c4cccc(O)c4O)cc3)cc2)c1O ZINC000102934282 569829186 /nfs/dbraw/zinc/82/91/86/569829186.db2.gz MPDJXZNLQVPJLO-YAGSLNJISA-N 0 0 452.510 5.795 40 30 JKEBRN O=C1/C(=C/c2ccccc2)C2/C(=C/c3ccccc3)C(=O)/C(=C/c3ccccc3)C2/C1=C/c1ccccc1 ZINC000102941712 569829590 /nfs/dbraw/zinc/82/95/90/569829590.db2.gz DHQCQYHJPBFOQY-BKOROICWSA-N 0 0 490.602 7.719 40 30 JKEBRN Cc1cc(/C=N/c2ccc(/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)c(C)n1-c1ccccc1 ZINC000102941358 569829649 /nfs/dbraw/zinc/82/96/49/569829649.db2.gz IKTRTODUEJCZOW-WXGDAXOSSA-N 0 0 470.620 8.003 40 30 JKEBRN Fc1ccc(/N=c2/scc(-c3ccc(OC(F)F)cc3)n2/N=C/c2c(F)cccc2F)c(F)c1 ZINC000102959639 569829902 /nfs/dbraw/zinc/82/99/02/569829902.db2.gz LGVPCOMMFCGRLX-GBEJUBINSA-N 0 0 493.432 6.489 40 30 JKEBRN COc1ccc(/N=c2/scc(-c3ccc(Br)s3)n2/N=C/c2ccc(F)cc2)cc1 ZINC000102960043 569829909 /nfs/dbraw/zinc/82/99/09/569829909.db2.gz CCPYDTCEMYSSTE-JWMDJXKXSA-N 0 0 488.407 6.303 40 30 JKEBRN 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ZINC000103017074 569831865 /nfs/dbraw/zinc/83/18/65/569831865.db2.gz NCSKFRMHRLPBFC-AWSUPERCSA-N 0 0 487.640 8.054 40 30 JKEBRN C/C=C/c1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000041074063 569834921 /nfs/dbraw/zinc/83/49/21/569834921.db2.gz ZMKCNLGZGVEPKT-WYKGZTCSSA-N 0 0 473.598 6.550 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000041074067 569834991 /nfs/dbraw/zinc/83/49/91/569834991.db2.gz IQJHQYFUVKACKK-BRJLIKDPSA-N 0 0 458.421 6.462 40 30 JKEBRN c1ccc(CSc2ns/c(=N/C(=N/c3ccccc3)c3ccccc3)n2-c2ccccc2)cc1 ZINC000103451285 569835106 /nfs/dbraw/zinc/83/51/06/569835106.db2.gz CUUCYGUFQMFIMN-YLTBFOCOSA-N 0 0 478.646 6.905 40 30 JKEBRN O=C(c1ccccc1)N1C(=S)N(c2ccccn2)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000103710924 569837242 /nfs/dbraw/zinc/83/72/42/569837242.db2.gz WYXBGZIUFLMIHM-CHGLVIDESA-N 0 0 461.550 5.789 40 30 JKEBRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103757022 569837783 /nfs/dbraw/zinc/83/77/83/569837783.db2.gz WVHHPKRXVPCXGJ-UHFFFAOYSA-N 0 0 459.308 6.784 40 30 JKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000104038962 569839968 /nfs/dbraw/zinc/83/99/68/569839968.db2.gz NBROGIBKWCOXJE-MDZDMXLPSA-N 0 0 455.639 6.863 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N/CCCCCC/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000104063677 569840302 /nfs/dbraw/zinc/84/03/02/569840302.db2.gz ZIWYILKGDHAREU-NQGGHMMCSA-N 0 0 451.310 5.908 40 30 JKEBRN Brc1ccc(N=NC(=NNc2ccccc2)c2ccc(C=[NH+][N-]c3ccccc3)cc2)cc1 ZINC000104079481 569840435 /nfs/dbraw/zinc/84/04/35/569840435.db2.gz AUADFXAHIJUUST-ZWEZHRGVSA-N 0 0 497.400 7.453 40 30 JKEBRN Brc1ccc(N=NC(=NNc2ccccc2)c2ccc(C=[NH+][N-]c3ccccc3)cc2)cc1 ZINC000104079478 569840460 /nfs/dbraw/zinc/84/04/60/569840460.db2.gz AUADFXAHIJUUST-OTBIZUPHSA-N 0 0 497.400 7.453 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104082428 569840484 /nfs/dbraw/zinc/84/04/84/569840484.db2.gz NTSZSDUYHHILBN-QQTULTPQSA-N 0 0 488.094 6.983 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/c1cc(Cl)ccc1O ZINC000104082452 569840557 /nfs/dbraw/zinc/84/05/57/569840557.db2.gz GKCVTDGPEVFCPM-LKUDQCMESA-N 0 0 459.096 6.780 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccc(NC(C)=O)cc1 ZINC000104082434 569840565 /nfs/dbraw/zinc/84/05/65/569840565.db2.gz JWCJEPKTCVGNHF-ROMGYVFFSA-N 0 0 465.704 6.380 40 30 JKEBRN CO/N=C1/[C@H](O)C[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C ZINC000104095650 569840766 /nfs/dbraw/zinc/84/07/66/569840766.db2.gz BSFHYOMIEAKQTR-YEZXSDOYSA-N 0 0 471.770 7.861 40 30 JKEBRN CO/N=C1\[C@H](O)C[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C ZINC000104095653 569840848 /nfs/dbraw/zinc/84/08/48/569840848.db2.gz BSFHYOMIEAKQTR-SUDVUUNYSA-N 0 0 471.770 7.861 40 30 JKEBRN C(C=CNc1ccc(N=Nc2ccccc2)cc1)=CC=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000104104224 569840871 /nfs/dbraw/zinc/84/08/71/569840871.db2.gz AHKNGFDHCPDDJO-DTLWESOOSA-N 0 0 456.553 9.402 40 30 JKEBRN C(=N/c1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2)\c1ccc2c(c1)OCO2 ZINC000104124701 569841576 /nfs/dbraw/zinc/84/15/76/569841576.db2.gz XOAZLOFUQMVSOJ-WPOGOJNASA-N 0 0 460.489 6.216 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOCCOCCOCC ZINC000104129146 569841707 /nfs/dbraw/zinc/84/17/07/569841707.db2.gz DAJLTUFSQNRHJH-QXMHVHEDSA-N 0 0 455.724 6.600 40 30 JKEBRN O=C(/C=C1/S/C(=N\CCc2ccccc2)N(CCc2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000104127355 569841731 /nfs/dbraw/zinc/84/17/31/569841731.db2.gz ZAJZZMXYJBYCDN-UNICEJHHSA-N 0 0 473.573 5.065 40 30 JKEBRN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000104140406 569841910 /nfs/dbraw/zinc/84/19/10/569841910.db2.gz BZJBXHJWEAHAOI-UHFFFAOYSA-N 0 0 470.676 6.705 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)Nc1ccc(-n2c(=O)cc(C(=O)OCC)n2C)cc1 ZINC000104140635 569841985 /nfs/dbraw/zinc/84/19/85/569841985.db2.gz JIQKNZYVYOFUCL-UHFFFAOYSA-N 0 0 499.696 6.773 40 30 JKEBRN CCCCCCCCCCCCCCCCCC(CC)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104145920 569842009 /nfs/dbraw/zinc/84/20/09/569842009.db2.gz CRGWCYHOKLHLOA-VYIQYICTSA-N 0 0 476.662 8.942 40 30 JKEBRN COC1=C(OC)C(=O)C(C)C(=CC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C1=O ZINC000104182775 569842452 /nfs/dbraw/zinc/84/24/52/569842452.db2.gz KMBWCXAUPFWDKK-KOJQISQUSA-N 0 0 460.699 7.735 40 30 JKEBRN CCCCCCCCCCCCCCCCCCC(CC)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104145925 569842052 /nfs/dbraw/zinc/84/20/52/569842052.db2.gz QBTKBYQRAHWKGI-COOPMVRXSA-N 0 0 490.689 9.333 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N\c2oc(-c3ccc([N+](=O)[O-])cc3)nc2SCc2ccccc2)cc1 ZINC000104153947 569842175 /nfs/dbraw/zinc/84/21/75/569842175.db2.gz HZKAYYLVXCTVLH-OYKKKHCWSA-N 0 0 460.471 6.201 40 30 JKEBRN Clc1cc(Cc2ccc(/N=C\C=C/c3ccccc3)c(Cl)c2)ccc1/N=C/C=C/c1ccccc1 ZINC000104159210 569842248 /nfs/dbraw/zinc/84/22/48/569842248.db2.gz GDJFHTNEKSKXAH-HWMKZSFOSA-N 0 0 495.453 9.416 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(\C)N(C)c1ccc(OC)cc1 ZINC000104187891 569842580 /nfs/dbraw/zinc/84/25/80/569842580.db2.gz OFNAJUMESZDORL-SOYKGTTHSA-N 0 0 481.747 6.866 40 30 JKEBRN CCCCCCCCCCCCCCCCCSCc1ccc(Nc2ccccc2)cc1 ZINC000104189502 569842695 /nfs/dbraw/zinc/84/26/95/569842695.db2.gz JDJDFKCZYLQSRW-UHFFFAOYSA-N 0 0 453.780 10.535 40 30 JKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(/C=N\c2ccc(Br)cc2C)cc1 ZINC000104192183 569842758 /nfs/dbraw/zinc/84/27/58/569842758.db2.gz OPMCYVBWXGBRET-WFBNZKAHSA-N 0 0 470.208 7.330 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N\c2ccc(Oc3ccc(/N=C\c4cccc([N+](=O)[O-])c4)cc3)cc2)c1 ZINC000104203664 569842929 /nfs/dbraw/zinc/84/29/29/569842929.db2.gz FZBHREQRCQGHNR-HJTNQMAYSA-N 0 0 466.453 6.797 40 30 JKEBRN CC(C=NNc1ccccc1)=NN=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000104265560 569844346 /nfs/dbraw/zinc/84/43/46/569844346.db2.gz GHPDTQCBBSFJKL-KNQZEEGRSA-N 0 0 480.424 6.887 40 30 JKEBRN O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000104296379 569844889 /nfs/dbraw/zinc/84/48/89/569844889.db2.gz PMLAZFNALDRGOH-NVRXJJJQSA-N 0 0 473.747 5.845 40 30 JKEBRN 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569859621 /nfs/dbraw/zinc/85/96/21/569859621.db2.gz CQSBUOCVPAJYGX-XCJLTYCRSA-N 0 0 492.674 5.357 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000108939053 569859971 /nfs/dbraw/zinc/85/99/71/569859971.db2.gz BGNXJVSPQQFNAR-UHFFFAOYSA-N 0 0 468.966 5.579 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccc(Cl)cc1Cl ZINC000108976325 569860065 /nfs/dbraw/zinc/86/00/65/569860065.db2.gz HVOJWOFWZMMHIC-UHFFFAOYSA-N 0 0 464.418 6.349 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000108971322 569860076 /nfs/dbraw/zinc/86/00/76/569860076.db2.gz LUKCOTUYIYWKCT-GNAGIPHVSA-N 0 0 451.680 6.615 40 30 JKEBRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000108989660 569860179 /nfs/dbraw/zinc/86/01/79/569860179.db2.gz PMUDWFXSLUAETP-QFIPXVFZSA-N 0 0 495.988 5.567 40 30 JKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)S2)c1 ZINC000109036792 569860377 /nfs/dbraw/zinc/86/03/77/569860377.db2.gz 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485.967 5.969 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408792078 570044140 /nfs/dbraw/zinc/04/41/40/570044140.db2.gz HKUJJPHHAWULSR-MHZLTWQESA-N 0 0 474.560 5.989 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408792601 570044147 /nfs/dbraw/zinc/04/41/47/570044147.db2.gz LJMRANQMWLZRKD-NRFANRHFSA-N 0 0 476.872 5.250 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1cccc2ccccc21 ZINC000408793809 570044191 /nfs/dbraw/zinc/04/41/91/570044191.db2.gz GSWUNSDFPFVFEP-NDEPHWFRSA-N 0 0 487.555 6.160 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408793748 570044197 /nfs/dbraw/zinc/04/41/97/570044197.db2.gz GDPCDNAHYBFMHZ-AREMUKBSSA-N 0 0 480.608 6.133 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408794316 570044203 /nfs/dbraw/zinc/04/42/03/570044203.db2.gz IABLYDKZUNXXNQ-FQEVSTJZSA-N 0 0 466.320 5.995 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408793936 570044216 /nfs/dbraw/zinc/04/42/16/570044216.db2.gz QXHXCTNCESNMAT-XMMPIXPASA-N 0 0 489.930 5.800 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408793754 570044247 /nfs/dbraw/zinc/04/42/47/570044247.db2.gz GDPCDNAHYBFMHZ-SANMLTNESA-N 0 0 480.608 6.133 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408793521 570044250 /nfs/dbraw/zinc/04/42/50/570044250.db2.gz FOYDCEWOPQNYAV-XMMPIXPASA-N 0 0 471.940 5.660 40 30 JKEBRN CCOc1c(Cl)cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1OC ZINC000408795631 570044311 /nfs/dbraw/zinc/04/43/11/570044311.db2.gz COZFUKZRKBCNBJ-DICXZTSXSA-N 0 0 475.054 6.501 40 30 JKEBRN O=C(NC1CCCCC1)c1c2c(sc1/N=C\c1cccc(OCc3ccccc3F)c1)CCCC2 ZINC000408795503 570044379 /nfs/dbraw/zinc/04/43/79/570044379.db2.gz CHKCEQDLLNGPKI-MNBJERMJSA-N 0 0 490.644 7.158 40 30 JKEBRN 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C=CCc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(OC)c1O ZINC000408802365 570046212 /nfs/dbraw/zinc/04/62/12/570046212.db2.gz ZOKOLOUQMHYOLQ-LFJSVKJSSA-N 0 0 463.623 6.183 40 30 JKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OCC#N ZINC000408802793 570046319 /nfs/dbraw/zinc/04/63/19/570046319.db2.gz HMHPJXZUZDUOBD-YUMHPJSZSA-N 0 0 451.592 5.351 40 30 JKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000408802705 570046330 /nfs/dbraw/zinc/04/63/30/570046330.db2.gz GIEGPMKTQQCJDE-FSGOGVSDSA-N 0 0 466.537 6.042 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408803554 570046651 /nfs/dbraw/zinc/04/66/51/570046651.db2.gz QKMNTEFSCKMNLB-LJHKDMSPSA-N 0 0 463.623 6.314 40 30 JKEBRN C=CCc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(OCC)c1O ZINC000408803741 570046780 /nfs/dbraw/zinc/04/67/80/570046780.db2.gz SYMAFLJXJOFDSV-BUWMOKOSSA-N 0 0 477.650 6.573 40 30 JKEBRN C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)c1ccccc1 ZINC000408805024 570047039 /nfs/dbraw/zinc/04/70/39/570047039.db2.gz IMFZBQTVMVFSKN-JAYSCUBMSA-N 0 0 455.327 5.595 40 30 JKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)c1ccccc1 ZINC000408805023 570047094 /nfs/dbraw/zinc/04/70/94/570047094.db2.gz IMFZBQTVMVFSKN-IMVGLAPISA-N 0 0 455.327 5.595 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1OCC#N ZINC000408807134 570047835 /nfs/dbraw/zinc/04/78/35/570047835.db2.gz OIHLRGYXDHCHGF-MBTHVWNTSA-N 0 0 486.037 6.004 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc3ccccc32)NC1=O ZINC000408808139 570048300 /nfs/dbraw/zinc/04/83/00/570048300.db2.gz DKKRNXNSOIMUHQ-STZFKDTASA-N 0 0 463.356 5.506 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)S2)cc1 ZINC000408808291 570048324 /nfs/dbraw/zinc/04/83/24/570048324.db2.gz DUNWJZMZUSDJER-MSXFZWOLSA-N 0 0 492.431 7.196 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408818357 570051159 /nfs/dbraw/zinc/05/11/59/570051159.db2.gz 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N#Cc1ccc(COc2ccc(/C=N\c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)cc2)cc1 ZINC000408810338 570048989 /nfs/dbraw/zinc/04/89/89/570048989.db2.gz JMCACIBXDCXEAO-MZFJOGFUSA-N 0 0 497.664 6.891 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408811139 570049184 /nfs/dbraw/zinc/04/91/84/570049184.db2.gz LXXISIYQVHINCW-JLPGSUDCSA-N 0 0 461.970 6.888 40 30 JKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408811413 570049194 /nfs/dbraw/zinc/04/91/94/570049194.db2.gz LIEDSWRRXXBLLM-XKZIYDEJSA-N 0 0 457.378 7.301 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1C ZINC000408811297 570049200 /nfs/dbraw/zinc/04/92/00/570049200.db2.gz AZTXFLALVDRKNE-WGARJPEWSA-N 0 0 462.578 6.070 40 30 JKEBRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC#N ZINC000408811810 570049425 /nfs/dbraw/zinc/04/94/25/570049425.db2.gz RSKVJBKJWGAZEP-LJHKDMSPSA-N 0 0 476.622 6.042 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408812263 570049452 /nfs/dbraw/zinc/04/94/52/570049452.db2.gz MLYWIROTJXPQBI-MTJSOVHGSA-N 0 0 481.360 6.685 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408812221 570049512 /nfs/dbraw/zinc/04/95/12/570049512.db2.gz CUVIBVAFWISFFU-JLPGSUDCSA-N 0 0 472.522 6.143 40 30 JKEBRN O=C1NC(=Nc2cccc3ccccc32)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408812889 570049592 /nfs/dbraw/zinc/04/95/92/570049592.db2.gz BZUHHRNSFVMMAR-YUMHPJSZSA-N 0 0 477.564 6.874 40 30 JKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccc([N+](=O)[O-])cc2)oc1Nc1ccc(Cl)cc1 ZINC000408813163 570049636 /nfs/dbraw/zinc/04/96/36/570049636.db2.gz PSGOYBOTFHHCPL-KSEXSDGBSA-N 0 0 463.277 5.861 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408813608 570049757 /nfs/dbraw/zinc/04/97/57/570049757.db2.gz DITWVIXXGNOEFR-ODLFYWEKSA-N 0 0 464.370 5.976 40 30 JKEBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408813519 570049806 /nfs/dbraw/zinc/04/98/06/570049806.db2.gz UMBQIIVAYYOANU-UHFFFAOYSA-N 0 0 476.965 5.562 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408813947 570049857 /nfs/dbraw/zinc/04/98/57/570049857.db2.gz FHWFOVPSSRUYEA-LSDFYIEESA-N 0 0 495.442 6.398 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408814158 570049903 /nfs/dbraw/zinc/04/99/03/570049903.db2.gz QJHIRSARJSEKAT-MYYYXRDXSA-N 0 0 471.534 5.964 40 30 JKEBRN C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408814754 570050172 /nfs/dbraw/zinc/05/01/72/570050172.db2.gz GKMVIRSLGZYYSV-MHZLTWQESA-N 0 0 486.409 6.924 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000408815009 570050256 /nfs/dbraw/zinc/05/02/56/570050256.db2.gz STQLRTOXKAGGCA-MOSHPQCFSA-N 0 0 488.403 5.821 40 30 JKEBRN C#CCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408815333 570050309 /nfs/dbraw/zinc/05/03/09/570050309.db2.gz JDLFHGWVEBYUIS-UHFFFAOYSA-N 0 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Cc1nc(N)c(C#N)c(-c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1-c1ccccc1 ZINC000408816684 570050742 /nfs/dbraw/zinc/05/07/42/570050742.db2.gz WMSPYSRRYQXTPJ-UHFFFAOYSA-N 0 0 460.364 7.064 40 30 JKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408816810 570050825 /nfs/dbraw/zinc/05/08/25/570050825.db2.gz UPHCKCFQTUZINU-WGARJPEWSA-N 0 0 485.834 8.005 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408816995 570050827 /nfs/dbraw/zinc/05/08/27/570050827.db2.gz MOGQVMCIRFAHCM-QRVIBDJDSA-N 0 0 461.949 6.374 40 30 JKEBRN O=C1CCCC2=C1[C@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)Nc1ccc3ccccc3c12 ZINC000408818020 570050999 /nfs/dbraw/zinc/05/09/99/570050999.db2.gz XPVFWVGKMWZZNV-YTTGMZPUSA-N 0 0 472.563 7.655 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408817925 570051050 /nfs/dbraw/zinc/05/10/50/570051050.db2.gz MKHVTSKTPLWDQL-FFKKSUQSSA-N 0 0 466.606 6.789 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O ZINC000408818029 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ZINC000408820360 570051748 /nfs/dbraw/zinc/05/17/48/570051748.db2.gz XDYFYKFNCDJODQ-MSXFZWOLSA-N 0 0 492.431 7.196 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820156 570051759 /nfs/dbraw/zinc/05/17/59/570051759.db2.gz VQTZXTRYDGYZRM-HMAPJEAMSA-N 0 0 499.419 6.863 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408820911 570051935 /nfs/dbraw/zinc/05/19/35/570051935.db2.gz AJPINJUJIHJVOL-UHFFFAOYSA-N 0 0 492.802 5.195 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408821236 570052000 /nfs/dbraw/zinc/05/20/00/570052000.db2.gz FBEZKSWYQFXJAW-UNOMPAQXSA-N 0 0 460.349 5.654 40 30 JKEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408821213 570052039 /nfs/dbraw/zinc/05/20/39/570052039.db2.gz DTXBKKKYKDXOLM-SFQUDFHCSA-N 0 0 493.322 5.106 40 30 JKEBRN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccccc4)c4ccccc4C3c3ccccc32)cc1 ZINC000408822483 570052147 /nfs/dbraw/zinc/05/21/47/570052147.db2.gz 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JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc(F)c2)cc1 ZINC000408841848 570053796 /nfs/dbraw/zinc/05/37/96/570053796.db2.gz IAFOQNDAGCFZET-VWLOTQADSA-N 0 0 469.512 5.536 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000408842842 570053889 /nfs/dbraw/zinc/05/38/89/570053889.db2.gz LEMJBPSTBWOSGH-AREMUKBSSA-N 0 0 465.549 5.706 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408842742 570053927 /nfs/dbraw/zinc/05/39/27/570053927.db2.gz AYBSOZCMHKPFRC-JXKYSLRESA-N 0 0 495.601 5.613 40 30 JKEBRN COc1cc(Br)cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1O ZINC000408842992 570054025 /nfs/dbraw/zinc/05/40/25/570054025.db2.gz CTHXZRYXATYBAP-CHHVJCJISA-N 0 0 453.745 5.017 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(-c3cccc(Cl)c3)o1)CCCC2 ZINC000408843412 570054029 /nfs/dbraw/zinc/05/40/29/570054029.db2.gz FJNKAZUJSXFZIJ-NTFVMDSBSA-N 0 0 460.986 7.543 40 30 JKEBRN 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LNDRKOOVVJEDHN-ZEGLZJJTSA-N 0 0 479.371 5.098 40 30 JKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)c(Br)cc1OCc1ccccc1 ZINC000408847190 570054829 /nfs/dbraw/zinc/05/48/29/570054829.db2.gz PURWRDRAQMZLMW-QRVIBDJDSA-N 0 0 467.384 6.756 40 30 JKEBRN Cc1cccc2c(/C=N\c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c(-c3ccccc3)[nH]c21 ZINC000408848017 570054929 /nfs/dbraw/zinc/05/49/29/570054929.db2.gz XSGYJHORRQVOBK-MZFJOGFUSA-N 0 0 489.644 8.087 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408847972 570054949 /nfs/dbraw/zinc/05/49/49/570054949.db2.gz OQSQYFNAUUVHSN-GATIEOLUSA-N 0 0 489.301 5.315 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 ZINC000408848217 570055097 /nfs/dbraw/zinc/05/50/97/570055097.db2.gz RBHPQRIYEBRNDU-GRSHGNNSSA-N 0 0 490.324 6.062 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)=O ZINC000408848430 570055123 /nfs/dbraw/zinc/05/51/23/570055123.db2.gz YWGUGBHVYLODCX-YUMHPJSZSA-N 0 0 462.571 5.954 40 30 JKEBRN 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JKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 ZINC000408864072 570057651 /nfs/dbraw/zinc/05/76/51/570057651.db2.gz SLGHQUYJSKSSAE-XREFYLPJSA-N 0 0 487.581 7.038 40 30 JKEBRN CCC1N=NC(=S)N1N=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000408864176 570057659 /nfs/dbraw/zinc/05/76/59/570057659.db2.gz UHYHQTFLPGVSPP-NUGSKGIGSA-N 0 0 471.797 5.559 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OC ZINC000408863904 570057675 /nfs/dbraw/zinc/05/76/75/570057675.db2.gz QYRXITJXGGWPHE-SXGWCWSVSA-N 0 0 467.772 5.320 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCC(C)C ZINC000408863646 570057680 /nfs/dbraw/zinc/05/76/80/570057680.db2.gz UAYAPTAGMPSHKM-PHKQMYQOSA-N 0 0 492.685 7.303 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1Br ZINC000408864363 570057732 /nfs/dbraw/zinc/05/77/32/570057732.db2.gz UULPREWAIDUZRK-PVSWKLMISA-N 0 0 485.447 6.640 40 30 JKEBRN 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COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccccc1 ZINC000408930738 570079878 /nfs/dbraw/zinc/07/98/78/570079878.db2.gz BJQKMORGIXWZDB-WPWMEQJKSA-N 0 0 481.390 5.624 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408931104 570079940 /nfs/dbraw/zinc/07/99/40/570079940.db2.gz HGLSVZWCVQMGPG-NJZRLIGZSA-N 0 0 466.581 6.405 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408930897 570079973 /nfs/dbraw/zinc/07/99/73/570079973.db2.gz DNBZTYPRJWBRAF-STBIYBPSSA-N 0 0 485.411 6.558 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)cc1 ZINC000408931339 570080001 /nfs/dbraw/zinc/08/00/01/570080001.db2.gz KGVKKBAPFNZMFE-LQKURTRISA-N 0 0 455.385 6.468 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408931207 570080039 /nfs/dbraw/zinc/08/00/39/570080039.db2.gz IMJPVJASMOLKKM-ZCTHSVRISA-N 0 0 486.999 6.668 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccccc1 ZINC000408931176 570080063 /nfs/dbraw/zinc/08/00/63/570080063.db2.gz IANAJYQARGPVCS-MWAVMZGNSA-N 0 0 456.586 5.980 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)c1 ZINC000408931303 570080067 /nfs/dbraw/zinc/08/00/67/570080067.db2.gz JTIGRAGAMOFZCJ-LQKURTRISA-N 0 0 455.385 6.468 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)N1CC ZINC000408931565 570080093 /nfs/dbraw/zinc/08/00/93/570080093.db2.gz NEFVPQHYUCHQEV-ATAQLJSPSA-N 0 0 459.409 5.649 40 30 JKEBRN O=C(Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408931483 570080124 /nfs/dbraw/zinc/08/01/24/570080124.db2.gz MFGQNVWHVORZFK-STBIYBPSSA-N 0 0 472.976 5.521 40 30 JKEBRN O=C1/C(=C/c2ccoc2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408931531 570080154 /nfs/dbraw/zinc/08/01/54/570080154.db2.gz MUQZIIOLZASZFH-WYSGOQDYSA-N 0 0 458.499 5.516 40 30 JKEBRN O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Br)Nc1ccccc1 ZINC000408931532 570080161 /nfs/dbraw/zinc/08/01/61/570080161.db2.gz MVEDNJAHSJNUQT-WKIKZPBSSA-N 0 0 492.295 5.931 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C1=N\c1ccccc1 ZINC000408931719 570080199 /nfs/dbraw/zinc/08/01/99/570080199.db2.gz PJALBDCXPWRZAM-SHSCQTOKSA-N 0 0 497.960 6.149 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408931818 570080201 /nfs/dbraw/zinc/08/02/01/570080201.db2.gz QQQVGLVSXGRXFE-IEKQPEIGSA-N 0 0 468.594 5.844 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S/C1=N\c1ccccc1 ZINC000408931762 570080275 /nfs/dbraw/zinc/08/02/75/570080275.db2.gz PZBKFGNMZQDASH-BGTPXQLESA-N 0 0 473.642 6.351 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c(Br)c1 ZINC000408931755 570080282 /nfs/dbraw/zinc/08/02/82/570080282.db2.gz PTQOREHXFFEPOD-UCQKPKSFSA-N 0 0 456.296 5.205 40 30 JKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408931885 570080369 /nfs/dbraw/zinc/08/03/69/570080369.db2.gz ROQVMASQOBKLJL-OCSSWDANSA-N 0 0 478.423 6.892 40 30 JKEBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3C#N)C2=O)c1 ZINC000408931919 570080374 /nfs/dbraw/zinc/08/03/74/570080374.db2.gz SCEFQGMDQBOVBM-OYKKKHCWSA-N 0 0 483.549 5.121 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408932214 570080399 /nfs/dbraw/zinc/08/03/99/570080399.db2.gz BOVLIBQMWONAQK-IVTNFPRSSA-N 0 0 461.381 5.098 40 30 JKEBRN Fc1ccccc1COc1ccc(Br)cc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000408932396 570080428 /nfs/dbraw/zinc/08/04/28/570080428.db2.gz WQTOBOKNZBFHBA-PPDIBHTLSA-N 0 0 467.260 6.632 40 30 JKEBRN Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932370 570080455 /nfs/dbraw/zinc/08/04/55/570080455.db2.gz WHNJKUBEKNHQLR-NDZAJKAJSA-N 0 0 456.973 6.659 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408932227 570080464 /nfs/dbraw/zinc/08/04/64/570080464.db2.gz UZEUECOKHZCAND-ZBNITPKASA-N 0 0 481.574 5.223 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932327 570080488 /nfs/dbraw/zinc/08/04/88/570080488.db2.gz VPVWHAKFQVWAOW-VUTHCHCSSA-N 0 0 467.525 5.914 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1OCc1cccc(F)c1 ZINC000408932697 570080530 /nfs/dbraw/zinc/08/05/30/570080530.db2.gz YRCINOHCBATOQV-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN Clc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccccc1 ZINC000408932702 570080541 /nfs/dbraw/zinc/08/05/41/570080541.db2.gz YSYHAAUXLXZWEH-JVWAILMASA-N 0 0 485.809 6.269 40 30 JKEBRN CC/N=C1/S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1CC ZINC000408932849 570080689 /nfs/dbraw/zinc/08/06/89/570080689.db2.gz ZZBAOZUYSOARKQ-VCICBFQVSA-N 0 0 450.991 6.384 40 30 JKEBRN O=C1/C(=C/c2ccccc2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408933044 570080696 /nfs/dbraw/zinc/08/06/96/570080696.db2.gz GYIVMSGGBOVYLB-KKOPTWAASA-N 0 0 468.538 5.923 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408933435 570080740 /nfs/dbraw/zinc/08/07/40/570080740.db2.gz JPZQAVDLHXFQPW-DBFSUHOCSA-N 0 0 483.317 7.436 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000408933237 570080774 /nfs/dbraw/zinc/08/07/74/570080774.db2.gz IRPDWONXIPUDNC-MNDYBZJGSA-N 0 0 454.879 7.537 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408934135 570080890 /nfs/dbraw/zinc/08/08/90/570080890.db2.gz CNRINMGGNYSWDL-LZYBPNLTSA-N 0 0 497.716 5.238 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Br)c1O ZINC000408934981 570081128 /nfs/dbraw/zinc/08/11/28/570081128.db2.gz BWATZZAUYMBXGN-QFCIWXFXSA-N 0 0 489.413 7.131 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Br)c1O ZINC000408934980 570081148 /nfs/dbraw/zinc/08/11/48/570081148.db2.gz BWATZZAUYMBXGN-MBZYMXRXSA-N 0 0 489.413 7.131 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408935545 570081257 /nfs/dbraw/zinc/08/12/57/570081257.db2.gz HSVJRRHXPBFDIK-VQWBVUPTSA-N 0 0 464.609 7.536 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408935748 570081270 /nfs/dbraw/zinc/08/12/70/570081270.db2.gz DOUSWOVYAPVKOV-PAZDFVAHSA-N 0 0 472.632 8.514 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408935692 570081335 /nfs/dbraw/zinc/08/13/35/570081335.db2.gz INYWTQUMUNDZSW-XQPPUJSCSA-N 0 0 462.593 6.983 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408935998 570081384 /nfs/dbraw/zinc/08/13/84/570081384.db2.gz FKKKGSVYYWWKED-RCUHJWHVSA-N 0 0 483.409 7.038 40 30 JKEBRN Cc1ccsc1/C=C1\S/C(=N\c2ccc([N+](=O)[O-])cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000408936253 570081486 /nfs/dbraw/zinc/08/14/86/570081486.db2.gz OWMJUPJKQAWWPS-DFUCCVLFSA-N 0 0 488.594 6.293 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408936334 570081545 /nfs/dbraw/zinc/08/15/45/570081545.db2.gz FPWBJHHDMHPXQL-SVWLEWSQSA-N 0 0 459.387 7.035 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408936338 570081564 /nfs/dbraw/zinc/08/15/64/570081564.db2.gz FPWBJHHDMHPXQL-UWVSWQBNSA-N 0 0 459.387 7.035 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408937008 570081612 /nfs/dbraw/zinc/08/16/12/570081612.db2.gz LZHCPTQJFGUIBX-KFWXDBFFSA-N 0 0 483.011 7.328 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408937069 570081618 /nfs/dbraw/zinc/08/16/18/570081618.db2.gz HROOPZSMWLNVNA-DVHQXOFNSA-N 0 0 487.441 7.733 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccc6ccccc6c5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252483380 570081628 /nfs/dbraw/zinc/08/16/28/570081628.db2.gz DZYXGWASXRYMFK-GNUPGOSPSA-N 0 0 468.637 7.297 40 30 JKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408936623 570081658 /nfs/dbraw/zinc/08/16/58/570081658.db2.gz GZNJTOYYSPACBV-GJGHUJBWSA-N 0 0 457.017 8.014 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408937043 570081675 /nfs/dbraw/zinc/08/16/75/570081675.db2.gz HOUCPIFMUWAVCH-FMCGGJTJSA-N 0 0 485.294 5.599 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408936660 570081687 /nfs/dbraw/zinc/08/16/87/570081687.db2.gz HCXYLZORCJRGQL-UNSBUYSJSA-N 0 0 458.989 7.324 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Br)c1 ZINC000408937395 570081754 /nfs/dbraw/zinc/08/17/54/570081754.db2.gz JDADASGUGUNMBF-MSXFZWOLSA-N 0 0 499.321 5.907 40 30 JKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408937967 570081927 /nfs/dbraw/zinc/08/19/27/570081927.db2.gz KBXSHJJQWSDEFX-BMQFKMCRSA-N 0 0 491.034 8.496 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408937962 570081934 /nfs/dbraw/zinc/08/19/34/570081934.db2.gz KBCQSBYRYCHGPJ-KERJXVQQSA-N 0 0 473.414 7.343 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408937957 570081943 /nfs/dbraw/zinc/08/19/43/570081943.db2.gz KBCQSBYRYCHGPJ-GGJJYIGYSA-N 0 0 473.414 7.343 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cccc(F)c3)cc1)N2 ZINC000408938623 570082028 /nfs/dbraw/zinc/08/20/28/570082028.db2.gz LHHZDMLPQGRWMD-FEHZXGKMSA-N 0 0 488.606 8.290 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408938294 570082045 /nfs/dbraw/zinc/08/20/45/570082045.db2.gz PZDUAKMTRKMKFS-ZQEIKDJDSA-N 0 0 450.582 7.227 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408938591 570082077 /nfs/dbraw/zinc/08/20/77/570082077.db2.gz LBYFFKCSDGCVIZ-KSEXSDGBSA-N 0 0 461.261 5.835 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5-c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252496307 570082159 /nfs/dbraw/zinc/08/21/59/570082159.db2.gz PGGFCLMQRKOKDA-QWMKUFSPSA-N 0 0 484.640 6.329 40 30 JKEBRN Fc1ccccc1Cn1c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc2ccccc21 ZINC000408939373 570082183 /nfs/dbraw/zinc/08/21/83/570082183.db2.gz RYUHWKFGQMITOX-KNLXXEIVSA-N 0 0 497.617 8.406 40 30 JKEBRN Fc1ccccc1Cn1c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc2ccccc21 ZINC000408939371 570082205 /nfs/dbraw/zinc/08/22/05/570082205.db2.gz RYUHWKFGQMITOX-CPKFXUNDSA-N 0 0 497.617 8.406 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc1)N2 ZINC000408939212 570082213 /nfs/dbraw/zinc/08/22/13/570082213.db2.gz LWBBRFWKALUSGD-RGIXLGMGSA-N 0 0 470.616 8.151 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc(Br)ccc3O)cc1)N2 ZINC000408939506 570082300 /nfs/dbraw/zinc/08/23/00/570082300.db2.gz MULYZPRNEWXTIM-KHPGZEOPSA-N 0 0 459.387 7.040 40 30 JKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 ZINC000408940060 570082401 /nfs/dbraw/zinc/08/24/01/570082401.db2.gz NLTGNXYOUWBNMO-QYDGWAMYSA-N 0 0 491.034 8.496 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000408940043 570082446 /nfs/dbraw/zinc/08/24/46/570082446.db2.gz NKXZSMSDGGXYHV-KSEXSDGBSA-N 0 0 461.261 5.835 40 30 JKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c1 ZINC000408940055 570082464 /nfs/dbraw/zinc/08/24/64/570082464.db2.gz NLTGNXYOUWBNMO-LDCJCKRGSA-N 0 0 491.034 8.496 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408940509 570082506 /nfs/dbraw/zinc/08/25/06/570082506.db2.gz OBENRVNLGPWAQV-YTTUFDEDSA-N 0 0 457.017 8.014 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408940695 570082516 /nfs/dbraw/zinc/08/25/16/570082516.db2.gz OOQVQVXSNQMAEG-ILAONYIHSA-N 0 0 456.589 7.982 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408940507 570082536 /nfs/dbraw/zinc/08/25/36/570082536.db2.gz OBENRVNLGPWAQV-KZCOLGKUSA-N 0 0 457.017 8.014 40 30 JKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 ZINC000408941196 570082690 /nfs/dbraw/zinc/08/26/90/570082690.db2.gz OWJPGLVISHBJRK-QYDGWAMYSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 ZINC000408941194 570082692 /nfs/dbraw/zinc/08/26/92/570082692.db2.gz OWJPGLVISHBJRK-LCFXPADGSA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408941236 570082696 /nfs/dbraw/zinc/08/26/96/570082696.db2.gz OZSGJENFUYXSDO-MCYGPAAJSA-N 0 0 473.016 7.633 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408941143 570082714 /nfs/dbraw/zinc/08/27/14/570082714.db2.gz ORLWUDNEFXLKER-YTTUFDEDSA-N 0 0 455.001 7.790 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408941800 570082754 /nfs/dbraw/zinc/08/27/54/570082754.db2.gz PSCAPVDNZGYSTQ-KFWXDBFFSA-N 0 0 487.043 8.105 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c([N+](=O)[O-])c1 ZINC000408941780 570082774 /nfs/dbraw/zinc/08/27/74/570082774.db2.gz PQTHCJCGORSZKD-KSEXSDGBSA-N 0 0 489.257 5.430 40 30 JKEBRN Cc1cc(C)cc(COc2ccc3ccccc3c2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408942394 570082889 /nfs/dbraw/zinc/08/28/89/570082889.db2.gz QPCQXEDPBNUXCB-DICXZTSXSA-N 0 0 470.485 6.298 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408942444 570082931 /nfs/dbraw/zinc/08/29/31/570082931.db2.gz QUJPVVAXNUBNKL-PNIKUOOMSA-N 0 0 470.616 8.151 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Br)c1OC ZINC000408942876 570082934 /nfs/dbraw/zinc/08/29/34/570082934.db2.gz RBTONTLSOMZNIM-MBZYMXRXSA-N 0 0 489.413 7.043 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408942399 570082937 /nfs/dbraw/zinc/08/29/37/570082937.db2.gz QPGUUYZULXKAQA-KZCOLGKUSA-N 0 0 497.436 7.347 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(N(CC)CC)c(Br)c3)S2)cc1 ZINC000408950997 570084075 /nfs/dbraw/zinc/08/40/75/570084075.db2.gz HEYJSHGJZVWFKV-XSFVSMFZSA-N 0 0 474.424 5.586 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408942987 570083036 /nfs/dbraw/zinc/08/30/36/570083036.db2.gz RLAMIGSJQKKQPK-BARGHJKMSA-N 0 0 452.985 7.238 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408942998 570083064 /nfs/dbraw/zinc/08/30/64/570083064.db2.gz RLAMIGSJQKKQPK-YTTUFDEDSA-N 0 0 452.985 7.238 40 30 JKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 ZINC000408943059 570083088 /nfs/dbraw/zinc/08/30/88/570083088.db2.gz RNIQBENJKPWQBT-LCFXPADGSA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408943071 570083097 /nfs/dbraw/zinc/08/30/97/570083097.db2.gz RNVIWGCJJDXVHS-DWZGDGSMSA-N 0 0 473.414 7.425 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408943377 570083153 /nfs/dbraw/zinc/08/31/53/570083153.db2.gz SCUMPEODSFCKGL-HGPMORKZSA-N 0 0 485.425 7.591 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408943381 570083170 /nfs/dbraw/zinc/08/31/70/570083170.db2.gz SCUMPEODSFCKGL-UBAGDLADSA-N 0 0 485.425 7.591 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408944759 570083276 /nfs/dbraw/zinc/08/32/76/570083276.db2.gz UZWXEWPRFBNJCV-LZYBPNLTSA-N 0 0 450.716 5.396 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408945094 570083289 /nfs/dbraw/zinc/08/32/89/570083289.db2.gz VWNQKHISZIQCTR-HZUBOICTSA-N 0 0 468.984 6.938 40 30 JKEBRN Clc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1OCc1ccccc1 ZINC000408945199 570083395 /nfs/dbraw/zinc/08/33/95/570083395.db2.gz WEHQFYQIIKUSKF-UNMGKNRASA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OCC ZINC000408945576 570083407 /nfs/dbraw/zinc/08/34/07/570083407.db2.gz WTEIJNBJXHCDEH-PODFCCBWSA-N 0 0 487.043 8.023 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408945602 570083420 /nfs/dbraw/zinc/08/34/20/570083420.db2.gz XAHUPQCXNJFGDB-ROTLSHHCSA-N 0 0 488.859 5.719 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408945226 570083427 /nfs/dbraw/zinc/08/34/27/570083427.db2.gz WGJCPMKWDJWOEC-GJGHUJBWSA-N 0 0 497.436 7.347 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408945431 570083429 /nfs/dbraw/zinc/08/34/29/570083429.db2.gz WLLXKGUGWOIQRD-OXWUDKEFSA-N 0 0 470.616 8.290 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Br)ccc2OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408945834 570083502 /nfs/dbraw/zinc/08/35/02/570083502.db2.gz XNWBMLBLENVSOK-KSEXSDGBSA-N 0 0 489.257 5.430 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3F)cc1)N2 ZINC000408945727 570083511 /nfs/dbraw/zinc/08/35/11/570083511.db2.gz XCWOIQKNSDCYHE-ZXEUAPTKSA-N 0 0 488.606 8.290 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccc(C)cc5[C@@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408945790 570083515 /nfs/dbraw/zinc/08/35/15/570083515.db2.gz XISOCZQDWFKPEN-SHWMFYHASA-N 0 0 484.643 8.460 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Cl)c1 ZINC000408945765 570083543 /nfs/dbraw/zinc/08/35/43/570083543.db2.gz XFIBUUPLAWAYHZ-MSXFZWOLSA-N 0 0 454.870 5.798 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408946165 570083546 /nfs/dbraw/zinc/08/35/46/570083546.db2.gz YIFBDVXUDGVOSU-VCFQAFBRSA-N 0 0 471.000 7.491 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408946725 570083637 /nfs/dbraw/zinc/08/36/37/570083637.db2.gz ZEFWRUGFVOTQAB-UNMGKNRASA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408947162 570083656 /nfs/dbraw/zinc/08/36/56/570083656.db2.gz ZRBNGBOIDSZZSW-PMXSXJJTSA-N 0 0 473.414 7.425 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)S2)cc1 ZINC000408949206 570083712 /nfs/dbraw/zinc/08/37/12/570083712.db2.gz AAMXLXAWMJQSOE-PCLIKHOPSA-N 0 0 492.572 6.094 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c1)c1ccccc1F ZINC000408948655 570083771 /nfs/dbraw/zinc/08/37/71/570083771.db2.gz DAHOHGQKIRQFMT-LGJNPRDNSA-N 0 0 451.910 6.268 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)S2)cc1 ZINC000408949841 570083821 /nfs/dbraw/zinc/08/38/21/570083821.db2.gz CMIPXLSKGMYTBE-WSDLNYQXSA-N 0 0 486.424 6.691 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000408949299 570083851 /nfs/dbraw/zinc/08/38/51/570083851.db2.gz AQEPWZBXIODUJW-HZHRSRAPSA-N 0 0 495.000 6.218 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)S2)cc1 ZINC000408949834 570083852 /nfs/dbraw/zinc/08/38/52/570083852.db2.gz CLUPZLHKOIZIPK-YDZHTSKRSA-N 0 0 466.006 6.346 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OC)cc3Br)S2)cc1 ZINC000408949695 570083887 /nfs/dbraw/zinc/08/38/87/570083887.db2.gz BULKHVLLEOBPIC-YBFXNURJSA-N 0 0 477.380 5.147 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000408951193 570084077 /nfs/dbraw/zinc/08/40/77/570084077.db2.gz IBXKUSGKLAXXIU-HZHRSRAPSA-N 0 0 464.974 6.209 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)S2)cc1 ZINC000408951154 570084078 /nfs/dbraw/zinc/08/40/78/570084078.db2.gz HXNGYFNUKLWINB-OVVQPSECSA-N 0 0 480.589 6.709 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000408950530 570084085 /nfs/dbraw/zinc/08/40/85/570084085.db2.gz GCQYKBJFZLUFKW-YZSQISJMSA-N 0 0 467.594 6.288 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OC ZINC000408950548 570084123 /nfs/dbraw/zinc/08/41/23/570084123.db2.gz GJAPGCBJJRQWIY-UDWIEESQSA-N 0 0 489.391 5.313 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)S2)cc1 ZINC000408950967 570084141 /nfs/dbraw/zinc/08/41/41/570084141.db2.gz HBUIRWFOUULAAO-HZHRSRAPSA-N 0 0 475.570 5.171 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408951348 570084259 /nfs/dbraw/zinc/08/42/59/570084259.db2.gz ITKRCPIXPOIKNF-NMSBTPMHSA-N 0 0 465.578 6.290 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 ZINC000408952235 570084335 /nfs/dbraw/zinc/08/43/35/570084335.db2.gz LPEAZGSSRJMELB-HYARGMPZSA-N 0 0 462.527 5.332 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(Br)c3)S2)cc1 ZINC000408953050 570084443 /nfs/dbraw/zinc/08/44/43/570084443.db2.gz OCTYMHCDAFYXPU-GNUZOCDUSA-N 0 0 475.408 5.917 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OCC)cc4)NC3=O)c2C)c1 ZINC000408953377 570084453 /nfs/dbraw/zinc/08/44/53/570084453.db2.gz PBQJELIAXKDJBK-LFVJCYFKSA-N 0 0 489.597 5.561 40 30 JKEBRN Cc1cc(OCC(=O)N2NC(C(F)(F)C(F)(F)C(F)(F)F)=C[C@]2(O)C(C)(C)C)ccc1Cl ZINC000408953700 570084598 /nfs/dbraw/zinc/08/45/98/570084598.db2.gz MLDQTSMHKSLWBB-INIZCTEOSA-N 0 0 492.819 5.183 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)S2)cc1 ZINC000408954344 570084610 /nfs/dbraw/zinc/08/46/10/570084610.db2.gz SOJOMVBSPFYALL-BUVRLJJBSA-N 0 0 478.545 5.704 40 30 JKEBRN Brc1cc(/C=N/c2ccc(Br)cc2)oc1I ZINC000408953519 570084626 /nfs/dbraw/zinc/08/46/26/570084626.db2.gz QEXNYDNFPMIWST-GIDUJCDVSA-N 0 0 454.887 5.160 40 30 JKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(F)cc1 ZINC000408955093 570084710 /nfs/dbraw/zinc/08/47/10/570084710.db2.gz WBSANWOCLHHJLM-AQINLTQESA-N 0 0 460.122 5.178 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000408954634 570084711 /nfs/dbraw/zinc/08/47/11/570084711.db2.gz UGFZHUWOKPEDIW-OEAKJJBVSA-N 0 0 499.419 6.863 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O[C@@H](C)CC)c(OCC)c3)S2)cc1 ZINC000408955049 570084720 /nfs/dbraw/zinc/08/47/20/570084720.db2.gz VOGZDFNNXNDQIU-HBBMIWKISA-N 0 0 475.010 6.206 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)S2)cc1 ZINC000408954679 570084732 /nfs/dbraw/zinc/08/47/32/570084732.db2.gz UNJZSWYTTCVAGT-DEDYPNTBSA-N 0 0 469.360 5.999 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)S2)cc1 ZINC000408955955 570084840 /nfs/dbraw/zinc/08/48/40/570084840.db2.gz ZELNKKOBXGXHEZ-XDHOZWIPSA-N 0 0 461.381 5.527 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)S2)cc1 ZINC000408955643 570084844 /nfs/dbraw/zinc/08/48/44/570084844.db2.gz XZONGPNNTASRTP-LPYMAVHISA-N 0 0 496.430 6.147 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)S2)cc1 ZINC000408955978 570084994 /nfs/dbraw/zinc/08/49/94/570084994.db2.gz ZHJSDQVBKJARGU-PCLIKHOPSA-N 0 0 474.582 5.873 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000408959593 570085274 /nfs/dbraw/zinc/08/52/74/570085274.db2.gz BPLKDYHUNXRAST-QQOWCGNFSA-N 0 0 472.614 5.326 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1C ZINC000408959623 570085287 /nfs/dbraw/zinc/08/52/87/570085287.db2.gz CDEGIVJVDXRDFP-QRVIBDJDSA-N 0 0 464.034 6.818 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408959540 570085296 /nfs/dbraw/zinc/08/52/96/570085296.db2.gz ASANIBQIRZMMLQ-RMRLMXDISA-N 0 0 476.646 5.137 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)cc1 ZINC000408959646 570085337 /nfs/dbraw/zinc/08/53/37/570085337.db2.gz CNAYOKQXPKYRBK-SBEYKLCGSA-N 0 0 452.583 5.930 40 30 JKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408959797 570085368 /nfs/dbraw/zinc/08/53/68/570085368.db2.gz GBEALWUGYRYMMR-RMRLMXDISA-N 0 0 460.647 5.901 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)c1C ZINC000408959723 570085403 /nfs/dbraw/zinc/08/54/03/570085403.db2.gz DRWVCAZQWGHXMZ-CJUPBPKFSA-N 0 0 457.643 6.816 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000408959765 570085427 /nfs/dbraw/zinc/08/54/27/570085427.db2.gz FKQXBTNDNUNMLU-NDFXULMZSA-N 0 0 467.638 6.524 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408960282 570085509 /nfs/dbraw/zinc/08/55/09/570085509.db2.gz KQESEJICUFPJMB-PAPBZEPUSA-N 0 0 476.646 5.056 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc2ccccc2c1 ZINC000408960512 570085625 /nfs/dbraw/zinc/08/56/25/570085625.db2.gz GCXHCTCMMVKCPR-PCLIKHOPSA-N 0 0 454.526 6.450 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(I)cc1 ZINC000408960433 570085689 /nfs/dbraw/zinc/08/56/89/570085689.db2.gz FSNKOWFRJHTIDH-LDADJPATSA-N 0 0 489.313 5.113 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCCOC)C2=O)c1C ZINC000408960383 570085701 /nfs/dbraw/zinc/08/57/01/570085701.db2.gz LHJMZZWHEPBOQO-ZSBARMHISA-N 0 0 487.669 6.605 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(Br)cc1O ZINC000408960937 570085842 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RRMKRRBGBNTBRD-VBGBYYPASA-N 0 0 480.637 6.747 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1C ZINC000408961304 570086056 /nfs/dbraw/zinc/08/60/56/570086056.db2.gz RFKSKTXYSOSWEL-NNEUGSMJSA-N 0 0 495.648 7.362 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000408961343 570086074 /nfs/dbraw/zinc/08/60/74/570086074.db2.gz RSGPTEGKJNAUSS-VTJSNHOUSA-N 0 0 453.611 6.481 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(I)c(C)c2)c1C ZINC000408961628 570086126 /nfs/dbraw/zinc/08/61/26/570086126.db2.gz UEZSBNGYSYKWHM-QFEZKATASA-N 0 0 456.371 6.629 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)SC2=Nc2ccccc2)cc1 ZINC000408961966 570086214 /nfs/dbraw/zinc/08/62/14/570086214.db2.gz WCQAKEWGJVZWOQ-NMSBTPMHSA-N 0 0 469.610 6.100 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1cccnc1 ZINC000408961938 570086220 /nfs/dbraw/zinc/08/62/20/570086220.db2.gz VTKOENLSXOILHV-HHDGGSFGSA-N 0 0 454.599 5.876 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 ZINC000408962095 570086331 /nfs/dbraw/zinc/08/63/31/570086331.db2.gz PUIUUQBISGJTBJ-ZVHZXABRSA-N 0 0 457.530 5.729 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408962472 570086431 /nfs/dbraw/zinc/08/64/31/570086431.db2.gz YLOVZQZPYZEOKK-RMRLMXDISA-N 0 0 460.647 5.901 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)S2)cc1 ZINC000408962224 570086437 /nfs/dbraw/zinc/08/64/37/570086437.db2.gz RBQWGBZNLWJHBX-MFKUBSTISA-N 0 0 480.593 5.788 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)c1C ZINC000408962222 570086448 /nfs/dbraw/zinc/08/64/48/570086448.db2.gz XLAIVPXOSHFDQD-AECUVNSDSA-N 0 0 499.680 6.748 40 30 JKEBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)cc1 ZINC000408962685 570086503 /nfs/dbraw/zinc/08/65/03/570086503.db2.gz JFRCUGYTOKMPCC-YBFXNURJSA-N 0 0 457.338 6.348 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(Br)c3)S2)cc1 ZINC000408963128 570086605 /nfs/dbraw/zinc/08/66/05/570086605.db2.gz MVODBRUPFRFMPT-OQLLNIDSSA-N 0 0 453.745 5.011 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)S2)cc1 ZINC000408962979 570086621 /nfs/dbraw/zinc/08/66/21/570086621.db2.gz WQSYWXCNYODSCG-WPWMEQJKSA-N 0 0 480.589 6.627 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)c(I)c1 ZINC000408963949 570086821 /nfs/dbraw/zinc/08/68/21/570086821.db2.gz DVZBSVGRTRSQAC-NTUHNPAUSA-N 0 0 491.137 5.195 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 ZINC000408963888 570086828 /nfs/dbraw/zinc/08/68/28/570086828.db2.gz DOGUOWADOLSHTK-YDZHTSKRSA-N 0 0 491.525 5.083 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)S2)cc1 ZINC000408963869 570086834 /nfs/dbraw/zinc/08/68/34/570086834.db2.gz ANBHTHCMBJVDAR-IWIPYMOSSA-N 0 0 454.555 5.543 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000408963798 570086849 /nfs/dbraw/zinc/08/68/49/570086849.db2.gz PJUIGHSOQDQAQT-UDWIEESQSA-N 0 0 489.811 7.117 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c1C ZINC000408963749 570086879 /nfs/dbraw/zinc/08/68/79/570086879.db2.gz APNJJEFASQRTHG-SBEYKLCGSA-N 0 0 459.615 5.907 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408964299 570086964 /nfs/dbraw/zinc/08/69/64/570086964.db2.gz QQQCUEQAMGNMOZ-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=Nc1ccc(Cl)cc1 ZINC000408964935 570087105 /nfs/dbraw/zinc/08/71/05/570087105.db2.gz UDXNSGWSYTZNJL-RVROMCMOSA-N 0 0 484.746 5.274 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)S2)cc1 ZINC000408965224 570087212 /nfs/dbraw/zinc/08/72/12/570087212.db2.gz JLHHLQFLBHPQHK-OGLMXYFKSA-N 0 0 489.600 6.743 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408965245 570087266 /nfs/dbraw/zinc/08/72/66/570087266.db2.gz JNRZNWOXWLHWJH-FYJGNVAPSA-N 0 0 483.362 6.059 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408965604 570087332 /nfs/dbraw/zinc/08/73/32/570087332.db2.gz WGUPUGIWQOLAMH-UDWIEESQSA-N 0 0 471.376 5.060 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)S2)cc1 ZINC000408965817 570087370 /nfs/dbraw/zinc/08/73/70/570087370.db2.gz MIDYAWXSFJCQEP-YZSQISJMSA-N 0 0 466.562 6.319 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4c(C)cccc4C)N(C)C3=O)c2C)c1 ZINC000408966527 570087601 /nfs/dbraw/zinc/08/76/01/570087601.db2.gz NBSKFZUCKWELFW-VYKPKEDGSA-N 0 0 487.625 6.121 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408966592 570087633 /nfs/dbraw/zinc/08/76/33/570087633.db2.gz PHYQSZHBDPTLNL-MBNTZHJCSA-N 0 0 451.375 6.071 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)c1 ZINC000408966506 570087646 /nfs/dbraw/zinc/08/76/46/570087646.db2.gz LZBNWHRFOZLVMN-OYKKKHCWSA-N 0 0 472.326 5.626 40 30 JKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)S2)cc1 ZINC000408966802 570087726 /nfs/dbraw/zinc/08/77/26/570087726.db2.gz OGCVVNSDBKKPBD-XYGWBWBKSA-N 0 0 452.583 6.096 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000408966839 570087794 /nfs/dbraw/zinc/08/77/94/570087794.db2.gz QTZJOISJNJQTHJ-DEDYPNTBSA-N 0 0 455.366 6.464 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccc(OC)cc1 ZINC000408966885 570087782 /nfs/dbraw/zinc/08/77/82/570087782.db2.gz NYBDPONIQUTVOB-CIYPEPIYSA-N 0 0 487.669 7.024 40 30 JKEBRN CCOC(=O)c1ccc(N=C2S/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N2C)cc1 ZINC000408966826 570087784 /nfs/dbraw/zinc/08/77/84/570087784.db2.gz NRFYPIZXYFYLRC-KSVGNYRWSA-N 0 0 487.625 6.067 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967287 570087854 /nfs/dbraw/zinc/08/78/54/570087854.db2.gz PSWAQYHTANXXLD-DGIPJLOQSA-N 0 0 493.676 7.779 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967489 570087965 /nfs/dbraw/zinc/08/79/65/570087965.db2.gz SIKFNQDFYCBJIG-FMCGGJTJSA-N 0 0 493.419 6.841 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408967615 570087989 /nfs/dbraw/zinc/08/79/89/570087989.db2.gz WEBZUPYRRWIJHX-OEAKJJBVSA-N 0 0 491.544 5.052 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408967412 570087998 /nfs/dbraw/zinc/08/79/98/570087998.db2.gz VRFWRQGHNAABDB-CIAFOILYSA-N 0 0 473.356 6.603 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408967385 570088001 /nfs/dbraw/zinc/08/80/01/570088001.db2.gz VKCCLOWGUXFLAR-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408967599 570088024 /nfs/dbraw/zinc/08/80/24/570088024.db2.gz WAFKFDRMRWJABJ-MFKUBSTISA-N 0 0 472.013 6.851 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408967979 570088092 /nfs/dbraw/zinc/08/80/92/570088092.db2.gz YIXMJGKOJFJIED-YBFXNURJSA-N 0 0 459.365 5.223 40 30 JKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408968108 570088104 /nfs/dbraw/zinc/08/81/04/570088104.db2.gz ZKQJVORLFNAKOV-WSDLNYQXSA-N 0 0 462.531 5.211 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(OC)c1OCc1ccccc1 ZINC000408967976 570088112 /nfs/dbraw/zinc/08/81/12/570088112.db2.gz YIJKGILTSXAYPH-KOEQRZSOSA-N 0 0 486.593 5.903 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1C ZINC000408967795 570088115 /nfs/dbraw/zinc/08/81/15/570088115.db2.gz SDOXXDUKOWFVSR-UUYOSTAYSA-N 0 0 470.425 6.855 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000408967920 570088129 /nfs/dbraw/zinc/08/81/29/570088129.db2.gz YCEAWRIQPMREHF-HZHRSRAPSA-N 0 0 457.555 5.213 40 30 JKEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968276 570088263 /nfs/dbraw/zinc/08/82/63/570088263.db2.gz XTFVVXZUHJFGIB-QFEZKATASA-N 0 0 451.311 5.998 40 30 JKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC ZINC000408969057 570088327 /nfs/dbraw/zinc/08/83/27/570088327.db2.gz GMCKIYPVHSQSCP-TWKHWXDSSA-N 0 0 488.653 7.374 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)c1C ZINC000408968791 570088362 /nfs/dbraw/zinc/08/83/62/570088362.db2.gz ZDQICVRDUWBEKU-YOIRLTMBSA-N 0 0 494.458 6.653 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC(C)C ZINC000408969522 570088485 /nfs/dbraw/zinc/08/84/85/570088485.db2.gz PGVBHLZRQXFZKD-RDRPBHBLSA-N 0 0 476.642 7.206 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC#N ZINC000408969590 570088502 /nfs/dbraw/zinc/08/85/02/570088502.db2.gz QLLDMCRRYBIAMT-NDZAJKAJSA-N 0 0 487.625 6.711 40 30 JKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC ZINC000408969368 570088530 /nfs/dbraw/zinc/08/85/30/570088530.db2.gz MSUVEHMETQFKDL-MTDXEUNCSA-N 0 0 462.615 6.817 40 30 JKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1 ZINC000408971229 570088742 /nfs/dbraw/zinc/08/87/42/570088742.db2.gz DWEJKFQCRPRQBX-NDZAJKAJSA-N 0 0 470.638 7.039 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)cc3)o1)CCCCCC2 ZINC000408971583 570088771 /nfs/dbraw/zinc/08/87/71/570088771.db2.gz JLUYMJKZLDEXKE-UXHLAJHPSA-N 0 0 489.040 8.323 40 30 JKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br ZINC000408972385 570089042 /nfs/dbraw/zinc/08/90/42/570089042.db2.gz SLVDAJFRFBSCOO-PTNGSMBKSA-N 0 0 451.242 5.362 40 30 JKEBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000408973413 570089219 /nfs/dbraw/zinc/08/92/19/570089219.db2.gz AQJYGQYQAPEGRZ-FZGPYELWSA-N 0 0 496.610 6.565 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1C ZINC000408974882 570089460 /nfs/dbraw/zinc/08/94/60/570089460.db2.gz HWSXPESRTOKVMB-MZJWZYIUSA-N 0 0 452.410 7.847 40 30 JKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408974606 570089463 /nfs/dbraw/zinc/08/94/63/570089463.db2.gz FLBRFKNCITXJOG-TURZUDJPSA-N 0 0 456.571 7.147 40 30 JKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1O ZINC000408974971 570089571 /nfs/dbraw/zinc/08/95/71/570089571.db2.gz GZQUFRLWNVUJRA-CCVNUDIWSA-N 0 0 478.335 7.033 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Br)cc3)sc2-c2ccccc2)cc1C ZINC000408975192 570089592 /nfs/dbraw/zinc/08/95/92/570089592.db2.gz KDTPMRQAUWOQEG-CVKSISIWSA-N 0 0 462.416 7.302 40 30 JKEBRN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(C)c1 ZINC000408975544 570089673 /nfs/dbraw/zinc/08/96/73/570089673.db2.gz MSPKFAKEKQWJJN-TWJQNCOXSA-N 0 0 482.583 6.257 40 30 JKEBRN COc1ccc([C@@H]2N=C(SCc3ccccc3C#N)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 ZINC000408975370 570089675 /nfs/dbraw/zinc/08/96/75/570089675.db2.gz AUCLDDOIORZCFD-SANMLTNESA-N 0 0 498.608 5.422 40 30 JKEBRN COc1ccc([C@H]2N=C(SCc3ccccc3C#N)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 ZINC000408975369 570089688 /nfs/dbraw/zinc/08/96/88/570089688.db2.gz AUCLDDOIORZCFD-AREMUKBSSA-N 0 0 498.608 5.422 40 30 JKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408975667 570089689 /nfs/dbraw/zinc/08/96/89/570089689.db2.gz BYHMFZKXAZRFCW-QIFMOKMOSA-N 0 0 472.610 6.746 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)c1C ZINC000408975802 570089783 /nfs/dbraw/zinc/08/97/83/570089783.db2.gz NTLIJSKABZEAIN-WYHRAMJMSA-N 0 0 482.583 6.257 40 30 JKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408975855 570089832 /nfs/dbraw/zinc/08/98/32/570089832.db2.gz OICBFHZRMRPXKK-OGLMXYFKSA-N 0 0 484.581 7.013 40 30 JKEBRN Clc1ccc(-c2ccc(/C=N/c3nc(-c4ccc(C5CCCCC5)cc4)cs3)o2)cc1Cl ZINC000408976347 570089940 /nfs/dbraw/zinc/08/99/40/570089940.db2.gz FKORMUKDSBJXBB-WKULSOCRSA-N 0 0 481.448 9.175 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc2sc(=O)oc21 ZINC000408976143 570089948 /nfs/dbraw/zinc/08/99/48/570089948.db2.gz PPKQWLGVWPVEBM-WBUAKJRLSA-N 0 0 460.536 5.672 40 30 JKEBRN Cc1ccc(/C=N/c2ncnc3oc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c32)cc1 ZINC000408976580 570090013 /nfs/dbraw/zinc/09/00/13/570090013.db2.gz RPSDMIDJMDXRCV-FMFFXOCNSA-N 0 0 465.556 8.283 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc(Br)c1OC ZINC000408976832 570090024 /nfs/dbraw/zinc/09/00/24/570090024.db2.gz GSUNYAGYXNZYAJ-VULFUBBASA-N 0 0 485.447 7.388 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1OC ZINC000408976707 570090057 /nfs/dbraw/zinc/09/00/57/570090057.db2.gz SKNFKKIZAMQBHO-JVWAILMASA-N 0 0 488.569 6.547 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408977186 570090079 /nfs/dbraw/zinc/09/00/79/570090079.db2.gz VUMKHWGFPBNCPW-MUUNZHRXSA-N 0 0 488.414 8.716 40 30 JKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000408977213 570090156 /nfs/dbraw/zinc/09/01/56/570090156.db2.gz UXIJAQRSXLASHI-JFLMPSFJSA-N 0 0 488.569 6.465 40 30 JKEBRN Cc1cccc(COc2ccc(/C=N/c3nc(-c4ccc(C5CCCCC5)cc4)cs3)cc2)c1 ZINC000408977799 570090291 /nfs/dbraw/zinc/09/02/91/570090291.db2.gz JZVDXGFCLHYTAW-ZCTHSVRISA-N 0 0 466.650 8.496 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408978423 570090414 /nfs/dbraw/zinc/09/04/14/570090414.db2.gz ZRVWONUDEPYAEM-VULFUBBASA-N 0 0 462.962 7.102 40 30 JKEBRN N#Cc1c(N)nc2c(c1-c1ccc(OCc3cccc4ccccc43)c(Br)c1)CCCC2 ZINC000408978829 570090471 /nfs/dbraw/zinc/09/04/71/570090471.db2.gz KNWZARJPRIRVRR-UHFFFAOYSA-N 0 0 484.397 6.576 40 30 JKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408979252 570090498 /nfs/dbraw/zinc/09/04/98/570090498.db2.gz LTMJAGZKGZFVDO-UHFFFAOYSA-N 0 0 474.333 6.350 40 30 JKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000408979578 570090619 /nfs/dbraw/zinc/09/06/19/570090619.db2.gz MYOLOTKNDJZIBD-UHFFFAOYSA-N 0 0 479.381 6.635 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408979759 570090672 /nfs/dbraw/zinc/09/06/72/570090672.db2.gz OKCMJBBJXOIORC-UHFFFAOYSA-N 0 0 466.497 5.674 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(OC(=O)N(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408980134 570090727 /nfs/dbraw/zinc/09/07/27/570090727.db2.gz DSPJSRYUBWKKIP-DUPRQXJUSA-N 0 0 499.636 6.789 40 30 JKEBRN Brc1cc2c(cc1/C=N/c1nc(-c3ccc(C4CCCCC4)cc3)cs1)OCO2 ZINC000408980377 570090747 /nfs/dbraw/zinc/09/07/47/570090747.db2.gz VZPLHSBUQWTRLU-BRJLIKDPSA-N 0 0 469.404 7.100 40 30 JKEBRN C=CCN(C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)c1ccccc1 ZINC000408980336 570090756 /nfs/dbraw/zinc/09/07/56/570090756.db2.gz VNCCKDSWUKPAIR-UHFFFAOYSA-N 0 0 453.592 6.920 40 30 JKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408981230 570090923 /nfs/dbraw/zinc/09/09/23/570090923.db2.gz VKSXAZJDMRVDBK-UHFFFAOYSA-N 0 0 469.375 7.179 40 30 JKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OCC ZINC000408982749 570091222 /nfs/dbraw/zinc/09/12/22/570091222.db2.gz FDCNUWSQQTVIPL-MWAVMZGNSA-N 0 0 485.653 7.891 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408983215 570091315 /nfs/dbraw/zinc/09/13/15/570091315.db2.gz GGRHCYPIKOQLLB-MSIOFZDNSA-N 0 0 493.361 5.125 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000408983252 570091316 /nfs/dbraw/zinc/09/13/16/570091316.db2.gz GPPXELRLOQQVJW-UJBXUPAJSA-N 0 0 483.355 5.669 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)c(Br)cc1OCc1ccccc1C#N ZINC000408982883 570091334 /nfs/dbraw/zinc/09/13/34/570091334.db2.gz ZPELUSCTWRQWPL-UHFFFAOYSA-N 0 0 489.373 5.303 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408983203 570091347 /nfs/dbraw/zinc/09/13/47/570091347.db2.gz GDKDHCYZLJFOGD-UJBXUPAJSA-N 0 0 483.355 5.669 40 30 JKEBRN O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408983239 570091348 /nfs/dbraw/zinc/09/13/48/570091348.db2.gz GOANTDJIIKCPBI-JMIUGGIZSA-N 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CC(C)(C)c1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000254824173 570106249 /nfs/dbraw/zinc/10/62/49/570106249.db2.gz GPJHJVPMQNVLFT-YYIDSTOFSA-N 0 0 486.718 6.670 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409033995 570106287 /nfs/dbraw/zinc/10/62/87/570106287.db2.gz MOLDWXYXOGKCRC-MWRNPHMMSA-N 0 0 473.732 5.541 40 30 JKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccc(Cl)cc1Cl ZINC000409034191 570106309 /nfs/dbraw/zinc/10/63/09/570106309.db2.gz PTIDSCFEKCCCBZ-YLKCYHHESA-N 0 0 493.206 6.295 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409034420 570106326 /nfs/dbraw/zinc/10/63/26/570106326.db2.gz HBSFEQZWDUYLLK-UMDHDWCXSA-N 0 0 467.566 6.076 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2Br)cc1 ZINC000409034571 570106344 /nfs/dbraw/zinc/10/63/44/570106344.db2.gz HNPKJQULWACGGJ-PZOKPFNQSA-N 0 0 491.176 5.881 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c(Br)c1 ZINC000409034745 570106348 /nfs/dbraw/zinc/10/63/48/570106348.db2.gz IGASTJHTEKHSQK-TXNBCWFRSA-N 0 0 478.118 5.331 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409035136 570106471 /nfs/dbraw/zinc/10/64/71/570106471.db2.gz PKSNMKHHRGCXJX-PTNGSMBKSA-N 0 0 456.370 5.353 40 30 JKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1C#N ZINC000409036555 570106691 /nfs/dbraw/zinc/10/66/91/570106691.db2.gz LPBRYJXRMISMOF-KNBZMSCYSA-N 0 0 456.365 5.584 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OCC)c1OCC ZINC000409036880 570106705 /nfs/dbraw/zinc/10/67/05/570106705.db2.gz BYLPNGLWCZAMOF-XNTDXEJSSA-N 0 0 480.433 5.714 40 30 JKEBRN FC(F)(F)COc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409036356 570106721 /nfs/dbraw/zinc/10/67/21/570106721.db2.gz VUBOTBXVZNDLAU-SOWFKZHZSA-N 0 0 455.079 5.648 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 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HIGOQSKKEDKXGC-MFKUBSTISA-N 0 0 469.566 5.767 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409068345 570117331 /nfs/dbraw/zinc/11/73/31/570117331.db2.gz SEVAESUQPDVZOX-XDHOZWIPSA-N 0 0 474.376 5.567 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)nc1 ZINC000409068833 570117437 /nfs/dbraw/zinc/11/74/37/570117437.db2.gz IZNXXQURLIQQEI-HIUVJMHLSA-N 0 0 474.697 7.086 40 30 JKEBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000409069517 570117690 /nfs/dbraw/zinc/11/76/90/570117690.db2.gz JJTTZODHPQKLHC-KEBDBYFISA-N 0 0 487.375 5.355 40 30 JKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(OCC)c1OC ZINC000409069320 570117722 /nfs/dbraw/zinc/11/77/22/570117722.db2.gz XGDSXHHPLACPPJ-UHFFFAOYSA-N 0 0 491.672 6.528 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409069839 570117805 /nfs/dbraw/zinc/11/78/05/570117805.db2.gz XDKPDRHQIXFQPL-YSURURNPSA-N 0 0 496.148 6.084 40 30 JKEBRN 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C#CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409074225 570119343 /nfs/dbraw/zinc/11/93/43/570119343.db2.gz SOJBDYDBENIYSV-UHFFFAOYSA-N 0 0 473.613 5.409 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409073938 570119356 /nfs/dbraw/zinc/11/93/56/570119356.db2.gz OGGJSNRCMVSBFS-KKMKTNMSSA-N 0 0 460.412 5.432 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccccc1 ZINC000409074261 570119422 /nfs/dbraw/zinc/11/94/22/570119422.db2.gz POMYLJSOTIDWJO-KVSWJAHQSA-N 0 0 494.311 6.287 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000409074268 570119451 /nfs/dbraw/zinc/11/94/51/570119451.db2.gz LHWZXMLJAKYCBY-VXLYETTFSA-N 0 0 498.815 6.847 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000409074452 570119465 /nfs/dbraw/zinc/11/94/65/570119465.db2.gz ZPCFNFWGIKUCSH-KVSWJAHQSA-N 0 0 456.399 6.202 40 30 JKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409074979 570119549 /nfs/dbraw/zinc/11/95/49/570119549.db2.gz WANWIMLKRYIIPF-FOKLQQMPSA-N 0 0 485.732 6.073 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409074963 570119611 /nfs/dbraw/zinc/11/96/11/570119611.db2.gz VTXMXPYMGUCPFM-YSURURNPSA-N 0 0 451.697 5.975 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000409074716 570119617 /nfs/dbraw/zinc/11/96/17/570119617.db2.gz VAIPEVDEICHDSD-BRJLIKDPSA-N 0 0 460.368 5.547 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409075213 570119672 /nfs/dbraw/zinc/11/96/72/570119672.db2.gz XKTRJYVPKOKHTF-MBTHVWNTSA-N 0 0 459.571 5.584 40 30 JKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409075176 570119719 /nfs/dbraw/zinc/11/97/19/570119719.db2.gz PGRQPCHFCLDQRR-XODNFHPESA-N 0 0 497.433 6.279 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O ZINC000409075489 570119833 /nfs/dbraw/zinc/11/98/33/570119833.db2.gz WEXVEJQRQAWDMT-WOJGMQOQSA-N 0 0 464.768 5.904 40 30 JKEBRN Cc1cccc(NC(=O)Cn2cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)c1 ZINC000409076031 570119968 /nfs/dbraw/zinc/11/99/68/570119968.db2.gz WSZAQIBCHDGCPP-VFLNYLIXSA-N 0 0 495.461 5.961 40 30 JKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)c1C ZINC000409075804 570119989 /nfs/dbraw/zinc/11/99/89/570119989.db2.gz UMBGRRASLZYZDX-RKGFUWKLSA-N 0 0 498.652 6.461 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(OCC#N)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409076551 570120054 /nfs/dbraw/zinc/12/00/54/570120054.db2.gz ALNYGFIOMAIDPW-CLSXKXNXSA-N 0 0 475.614 6.075 40 30 JKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409076253 570120071 /nfs/dbraw/zinc/12/00/71/570120071.db2.gz AGNXEPRVGLYHPJ-PRBMPNCTSA-N 0 0 481.662 6.612 40 30 JKEBRN 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O=C(NC1CCCCC1)c1c(/N=C/c2ccc(Sc3ncccn3)o2)sc2c1CCCC2 ZINC000409095074 570126227 /nfs/dbraw/zinc/12/62/27/570126227.db2.gz GPSBOFMSQOZPQW-JFLMPSFJSA-N 0 0 466.632 5.974 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1 ZINC000409095316 570126384 /nfs/dbraw/zinc/12/63/84/570126384.db2.gz ATWACDJGAOBMHQ-XKJRVUDJSA-N 0 0 463.887 6.486 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409096240 570126630 /nfs/dbraw/zinc/12/66/30/570126630.db2.gz CXFPKYYDNFYAQT-IPBVOBEMSA-N 0 0 478.858 5.226 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O ZINC000409096053 570126650 /nfs/dbraw/zinc/12/66/50/570126650.db2.gz CGOJEGKCUMRPIQ-HZHRSRAPSA-N 0 0 491.594 6.376 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1cccc(F)c1 ZINC000409096116 570126690 /nfs/dbraw/zinc/12/66/90/570126690.db2.gz JNKCHIPTRAQSJG-ORBVJSQLSA-N 0 0 498.274 6.036 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Br)cc1 ZINC000409096622 570126804 /nfs/dbraw/zinc/12/68/04/570126804.db2.gz KRTLUPNCQKQJBB-NSKAYECMSA-N 0 0 495.255 5.796 40 30 JKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409096968 570126974 /nfs/dbraw/zinc/12/69/74/570126974.db2.gz HETBIFPEXJGNGJ-VFLNYLIXSA-N 0 0 487.323 6.620 40 30 JKEBRN COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409097120 570127093 /nfs/dbraw/zinc/12/70/93/570127093.db2.gz HNMDZYSEHBYVEZ-YZSQISJMSA-N 0 0 461.543 5.016 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000409097811 570127367 /nfs/dbraw/zinc/12/73/67/570127367.db2.gz JLVHTJVZOFNDOP-BHGWPJFGSA-N 0 0 491.338 5.668 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409098469 570127496 /nfs/dbraw/zinc/12/74/96/570127496.db2.gz LTPPYLIRQNQVHT-XKJRVUDJSA-N 0 0 463.887 6.486 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cn3)cc2Cl)cc1 ZINC000409098279 570127543 /nfs/dbraw/zinc/12/75/43/570127543.db2.gz PGAIIZONGRTFOT-OXUBWTJQSA-N 0 0 485.249 6.340 40 30 JKEBRN Cc1cc(=O)[nH]c(Sc2ccc(C=Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)n1 ZINC000409098634 570127555 /nfs/dbraw/zinc/12/75/55/570127555.db2.gz QVSICVZKKJIVPV-KWRYHKOTSA-N 0 0 452.605 6.070 40 30 JKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(Sc4ncccn4)o2)CCCC3)cc1 ZINC000409099220 570127759 /nfs/dbraw/zinc/12/77/59/570127759.db2.gz QXONAWQGCUKRTR-RWPZCVJISA-N 0 0 474.611 6.472 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409099256 570127899 /nfs/dbraw/zinc/12/78/99/570127899.db2.gz KNDWFVITDFJKAC-YBFXNURJSA-N 0 0 455.333 5.122 40 30 JKEBRN Fc1ccccc1COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409099300 570127904 /nfs/dbraw/zinc/12/79/04/570127904.db2.gz KYNNDDZJBITIBL-HIUVJMHLSA-N 0 0 458.242 6.571 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409099678 570127995 /nfs/dbraw/zinc/12/79/95/570127995.db2.gz RYMUDRSKDIBIMB-LUOAPIJWSA-N 0 0 484.261 6.945 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409100848 570128380 /nfs/dbraw/zinc/12/83/80/570128380.db2.gz WXLKDUBTKPIBLI-YSURURNPSA-N 0 0 496.148 6.084 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2C1 ZINC000409100954 570128382 /nfs/dbraw/zinc/12/83/82/570128382.db2.gz XJQWPRKVRYIIGM-WBBAFLOHSA-N 0 0 477.615 6.371 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409100797 570128422 /nfs/dbraw/zinc/12/84/22/570128422.db2.gz VEPSIKPOBWQUJR-ORBVJSQLSA-N 0 0 453.823 5.927 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409101539 570128548 /nfs/dbraw/zinc/12/85/48/570128548.db2.gz YCFLPCCLYAVDFU-UVHMKAGCSA-N 0 0 474.439 5.644 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409101564 570128588 /nfs/dbraw/zinc/12/85/88/570128588.db2.gz YHYFIIUFSALWPL-VULFUBBASA-N 0 0 477.318 5.931 40 30 JKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000409101599 570128597 /nfs/dbraw/zinc/12/85/97/570128597.db2.gz PSTSXVDEMAPFJU-BRJLIKDPSA-N 0 0 489.301 5.315 40 30 JKEBRN O=C(COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000409101199 570128617 /nfs/dbraw/zinc/12/86/17/570128617.db2.gz AKARNVBUUCDWDK-KKMKTNMSSA-N 0 0 476.386 5.216 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1cccc2ccccc21 ZINC000409101882 570128746 /nfs/dbraw/zinc/12/87/46/570128746.db2.gz ZECAGFCLOFMNLJ-WKULSOCRSA-N 0 0 465.431 6.792 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000409102231 570128798 /nfs/dbraw/zinc/12/87/98/570128798.db2.gz VLCMSVPPOYZBDA-UDWIEESQSA-N 0 0 464.370 6.193 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409103962 570129327 /nfs/dbraw/zinc/12/93/27/570129327.db2.gz HXSVMQGDXFQDMX-FYJGNVAPSA-N 0 0 490.408 6.532 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccc(C)cc1 ZINC000409103750 570129387 /nfs/dbraw/zinc/12/93/87/570129387.db2.gz 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N#Cc1ccccc1COc1ccc(Br)cc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000409105727 570130012 /nfs/dbraw/zinc/13/00/12/570130012.db2.gz KEZMFJNTIVQZTJ-IPBVOBEMSA-N 0 0 475.268 5.760 40 30 JKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1F ZINC000409106028 570130180 /nfs/dbraw/zinc/13/01/80/570130180.db2.gz MDGONKPSGAYHJZ-VFLNYLIXSA-N 0 0 470.426 6.510 40 30 JKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000409106960 570130535 /nfs/dbraw/zinc/13/05/35/570130535.db2.gz NQFPLXDPLBTXSL-ZMOGYAJESA-N 0 0 471.311 5.176 40 30 JKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1C#N ZINC000409107716 570130811 /nfs/dbraw/zinc/13/08/11/570130811.db2.gz QEHQHELPGQGMGX-AMVVHIIESA-N 0 0 477.446 6.243 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=Nc1ccccc1 ZINC000409108022 570130989 /nfs/dbraw/zinc/13/09/89/570130989.db2.gz UZPVMLLSGVDELY-XFFGVCMQSA-N 0 0 481.042 6.742 40 30 JKEBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=Nc2sc3c(c2C#N)CCCC3)n1 ZINC000409108256 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0 0 456.413 7.620 40 30 JKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OCc1ccccc1 ZINC000409110083 570131822 /nfs/dbraw/zinc/13/18/22/570131822.db2.gz QZCGOZQGLPOTAK-UHFFFAOYSA-N 0 0 451.566 7.407 40 30 JKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1Cl ZINC000409110744 570132080 /nfs/dbraw/zinc/13/20/80/570132080.db2.gz GHCBJUQTNBQCJF-UHFFFAOYSA-N 0 0 456.413 7.620 40 30 JKEBRN C=CCc1cc(/C=C2/c3ccccc3N(CC)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409111382 570132258 /nfs/dbraw/zinc/13/22/58/570132258.db2.gz AGVJDXULVPLREF-ONUIUJJFSA-N 0 0 464.565 6.172 40 30 JKEBRN C=CCOc1c(I)cc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OCC ZINC000409111326 570132274 /nfs/dbraw/zinc/13/22/74/570132274.db2.gz IARIFMIENQDQRD-AQTBWJFISA-N 0 0 489.353 5.552 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccccc3N(CC)C2=O)cc1Br ZINC000409111483 570132341 /nfs/dbraw/zinc/13/23/41/570132341.db2.gz IYAFFWGRJFUJOF-GDNBJRDFSA-N 0 0 463.169 5.684 40 30 JKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409111988 570132426 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ZINC000409173989 570156088 /nfs/dbraw/zinc/15/60/88/570156088.db2.gz OUWIZSCPKSLKSM-LQKURTRISA-N 0 0 490.584 6.835 40 30 JKEBRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409174637 570156249 /nfs/dbraw/zinc/15/62/49/570156249.db2.gz WATBULJBGFTNGE-SRZZPIQSSA-N 0 0 494.334 5.550 40 30 JKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C1=O ZINC000409175472 570156587 /nfs/dbraw/zinc/15/65/87/570156587.db2.gz RPEXHTSKSZRLPB-FSJBWODESA-N 0 0 478.932 6.166 40 30 JKEBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(CN=Nc4ccccc4)c4ccccc4C3c3ccccc32)cc1 ZINC000409177082 570157391 /nfs/dbraw/zinc/15/73/91/570157391.db2.gz CKTONNIZHHXOJU-NIQQQIHVSA-N 0 0 483.571 5.644 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(OCC)c1OCC ZINC000409179859 570158579 /nfs/dbraw/zinc/15/85/79/570158579.db2.gz OOKVNLYQTVFNDQ-HZHRSRAPSA-N 0 0 494.613 5.504 40 30 JKEBRN COc1cccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c1OC ZINC000409181945 570159597 /nfs/dbraw/zinc/15/95/97/570159597.db2.gz GYWHIQGDMPTCAI-SECKTWPTSA-N 0 0 463.965 5.124 40 30 JKEBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)c(C)c1 ZINC000409182992 570160043 /nfs/dbraw/zinc/16/00/43/570160043.db2.gz QNHAJPZKNSPVAO-WSDLNYQXSA-N 0 0 457.511 5.110 40 30 JKEBRN Oc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409183290 570160125 /nfs/dbraw/zinc/16/01/25/570160125.db2.gz AJCTZBSYXPPFAT-FSJBWODESA-N 0 0 461.153 6.247 40 30 JKEBRN Cc1cccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409186737 570160649 /nfs/dbraw/zinc/16/06/49/570160649.db2.gz HFLYJRZZKDWBDS-CFRMEGHHSA-N 0 0 459.181 6.850 40 30 JKEBRN CC(C)OC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000409186810 570160658 /nfs/dbraw/zinc/16/06/58/570160658.db2.gz IDTWAYJQOCLLGE-NKXCCORXSA-N 0 0 472.566 5.826 40 30 JKEBRN Fc1ccccc1/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409186479 570160750 /nfs/dbraw/zinc/16/07/50/570160750.db2.gz CMYNJRVIFBPPRP-MSXFZWOLSA-N 0 0 463.144 6.680 40 30 JKEBRN Clc1ccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409187390 570160877 /nfs/dbraw/zinc/16/08/77/570160877.db2.gz PVNAUGDRTRUISR-MSXFZWOLSA-N 0 0 479.599 7.195 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1C ZINC000409188055 570160952 /nfs/dbraw/zinc/16/09/52/570160952.db2.gz WPKLZQSIQQNCHS-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CN(C)c1ccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409187924 570160976 /nfs/dbraw/zinc/16/09/76/570160976.db2.gz VSPPZRYEHAPPOD-QFEZKATASA-N 0 0 488.223 6.607 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)c2C)cc1 ZINC000409187648 570161004 /nfs/dbraw/zinc/16/10/04/570161004.db2.gz SVWHLSWIWKPEFO-BKUYFWCQSA-N 0 0 486.424 6.691 40 30 JKEBRN C/N=C1\S/C(=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)C(=O)N1C ZINC000409188478 570161098 /nfs/dbraw/zinc/16/10/98/570161098.db2.gz ZPNURDALPZOHGU-UYMBLXCVSA-N 0 0 496.224 5.323 40 30 JKEBRN N#Cc1c(N=Cc2ccc(Sc3nc[nH]n3)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409188931 570161216 /nfs/dbraw/zinc/16/12/16/570161216.db2.gz KTSNOVUHAVLWFG-RWPZCVJISA-N 0 0 492.520 6.413 40 30 JKEBRN CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000409189419 570161362 /nfs/dbraw/zinc/16/13/62/570161362.db2.gz KUXNOVGVWMPZBW-UVHMKAGCSA-N 0 0 452.963 6.728 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409189621 570161492 /nfs/dbraw/zinc/16/14/92/570161492.db2.gz LSHFGSDYITYPII-VCHYOVAHSA-N 0 0 478.751 5.364 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)o1 ZINC000409190064 570161620 /nfs/dbraw/zinc/16/16/20/570161620.db2.gz VMUXGWCAHKKCET-MUFRIFMGSA-N 0 0 485.565 6.071 40 30 JKEBRN Cc1nnc(Sc2ccc(C=Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])[nH]1 ZINC000409194022 570162989 /nfs/dbraw/zinc/16/29/89/570162989.db2.gz KIILVYXPRCQHGD-FCUAXUHVSA-N 0 0 480.619 6.007 40 30 JKEBRN C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC ZINC000409194479 570163143 /nfs/dbraw/zinc/16/31/43/570163143.db2.gz CFOZPEOBHXAVCV-XDHOZWIPSA-N 0 0 476.417 5.818 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccccc2C(=O)OC)nnc1-c1ccco1 ZINC000409194540 570163153 /nfs/dbraw/zinc/16/31/53/570163153.db2.gz OWJSJUGKHQQGKT-ZVHZXABRSA-N 0 0 477.502 5.155 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409195708 570163465 /nfs/dbraw/zinc/16/34/65/570163465.db2.gz KHFPUCWBQAFKFM-JLPGSUDCSA-N 0 0 490.650 5.958 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409198885 570164353 /nfs/dbraw/zinc/16/43/53/570164353.db2.gz AAXRRUDCVTXWHW-YQMVTHACSA-N 0 0 496.648 6.621 40 30 JKEBRN C=CCOc1c(I)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409198939 570164375 /nfs/dbraw/zinc/16/43/75/570164375.db2.gz MQEZNSWESZABDT-UHFFFAOYSA-N 0 0 478.157 6.174 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409199110 570164455 /nfs/dbraw/zinc/16/44/55/570164455.db2.gz BLGAYEIEGTWTLR-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1Cl ZINC000409199408 570164536 /nfs/dbraw/zinc/16/45/36/570164536.db2.gz CMDDAWMKPMJTCY-FOKLQQMPSA-N 0 0 490.697 6.770 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1C(C)C ZINC000409199392 570164538 /nfs/dbraw/zinc/16/45/38/570164538.db2.gz CROUXRRPYPEBKG-AWZYQSOKSA-N 0 0 463.430 6.662 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409199492 570164660 /nfs/dbraw/zinc/16/46/60/570164660.db2.gz DCJRGNYPVYYHJJ-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409199854 570164795 /nfs/dbraw/zinc/16/47/95/570164795.db2.gz FHAFMKOJDDAYPY-MTJSOVHGSA-N 0 0 464.978 5.342 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409200103 570164866 /nfs/dbraw/zinc/16/48/66/570164866.db2.gz GUMKIIQYLSNXQD-WSCLTDIXSA-N 0 0 487.065 6.715 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409200017 570164875 /nfs/dbraw/zinc/16/48/75/570164875.db2.gz FIQGVCSSPNHJJV-LGJNPRDNSA-N 0 0 498.815 6.872 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl ZINC000409199958 570164898 /nfs/dbraw/zinc/16/48/98/570164898.db2.gz FYRILRZYXQYJKV-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409200205 570164953 /nfs/dbraw/zinc/16/49/53/570164953.db2.gz GZDWNUKCBWCNHB-XODNFHPESA-N 0 0 462.804 7.992 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)c1 ZINC000409200192 570164991 /nfs/dbraw/zinc/16/49/91/570164991.db2.gz GXVYITRZPWXLKS-FJEPWZHXSA-N 0 0 464.443 7.927 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409200216 570164992 /nfs/dbraw/zinc/16/49/92/570164992.db2.gz HOFLTTOKULIQKN-LUOAPIJWSA-N 0 0 469.246 7.772 40 30 JKEBRN Cc1cccc(NC(=O)Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)c1 ZINC000409200591 570165074 /nfs/dbraw/zinc/16/50/74/570165074.db2.gz ILFJISKFYNTXKU-OEXTVKITSA-N 0 0 474.630 5.678 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000409200690 570165159 /nfs/dbraw/zinc/16/51/59/570165159.db2.gz JTJIIZPNORNWOP-XMIRZNSJSA-N 0 0 458.587 5.503 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409200798 570165167 /nfs/dbraw/zinc/16/51/67/570165167.db2.gz JBNHJWNFVNCFHM-OEAKJJBVSA-N 0 0 460.349 5.284 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409200783 570165183 /nfs/dbraw/zinc/16/51/83/570165183.db2.gz JLVPDAAIMOGKNY-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409200976 570165296 /nfs/dbraw/zinc/16/52/96/570165296.db2.gz KTEBRWIUPKAGPQ-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201266 570165337 /nfs/dbraw/zinc/16/53/37/570165337.db2.gz KZCVUGBRHRIARL-FOKLQQMPSA-N 0 0 490.697 6.770 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409201332 570165341 /nfs/dbraw/zinc/16/53/41/570165341.db2.gz LOOKRGDGOSPFCU-STBIYBPSSA-N 0 0 474.398 7.503 40 30 JKEBRN COc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409201278 570165363 /nfs/dbraw/zinc/16/53/63/570165363.db2.gz LETOWDVJJQSRFJ-YDZHTSKRSA-N 0 0 461.153 6.763 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409201472 570165448 /nfs/dbraw/zinc/16/54/48/570165448.db2.gz NIDGCMMVNQOYSF-MTDXEUNCSA-N 0 0 477.969 6.959 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(Oc4nc(Cl)ncc4F)c3)sc2C1 ZINC000409201553 570165459 /nfs/dbraw/zinc/16/54/59/570165459.db2.gz MJXQDRJKLVMGNF-SMAZRQGKSA-N 0 0 468.985 6.896 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OCCCC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409201627 570165537 /nfs/dbraw/zinc/16/55/37/570165537.db2.gz NDZWDRDAOAXWMQ-KQWNVCNZSA-N 0 0 495.597 5.382 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)cc3C)cc2Br)c1 ZINC000409201583 570165559 /nfs/dbraw/zinc/16/55/59/570165559.db2.gz MTRMYPNJKNEKED-VULFUBBASA-N 0 0 451.364 6.142 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409201661 570165560 /nfs/dbraw/zinc/16/55/60/570165560.db2.gz NJDJVGZHQMEQSE-MFKUBSTISA-N 0 0 487.337 6.028 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 ZINC000409201751 570165589 /nfs/dbraw/zinc/16/55/89/570165589.db2.gz NUXMAYXMPPTYJN-WGOQTCKBSA-N 0 0 454.364 6.576 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cccc(C)c1 ZINC000409201956 570165635 /nfs/dbraw/zinc/16/56/35/570165635.db2.gz PGLNRARJQWPZJP-DEPOHBKJSA-N 0 0 486.681 7.808 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409201974 570165708 /nfs/dbraw/zinc/16/57/08/570165708.db2.gz PJBUNFDMHCTTEI-XRABMHPCSA-N 0 0 450.435 6.490 40 30 JKEBRN COc1cccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OCc1ccc(Cl)cc1 ZINC000409202158 570165771 /nfs/dbraw/zinc/16/57/71/570165771.db2.gz PHYXGMLRWLAJOM-IZKGUHRSSA-N 0 0 493.072 7.762 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1 ZINC000409202107 570165820 /nfs/dbraw/zinc/16/58/20/570165820.db2.gz OYHWCWCILIIBQH-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409202294 570165910 /nfs/dbraw/zinc/16/59/10/570165910.db2.gz QVVXGJHDPWBNAH-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409202305 570165917 /nfs/dbraw/zinc/16/59/17/570165917.db2.gz RAZPKLYTWWNUMZ-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000409202585 570166001 /nfs/dbraw/zinc/16/60/01/570166001.db2.gz RTBPESRTVIOKEF-HZHRSRAPSA-N 0 0 460.349 5.366 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409202783 570166061 /nfs/dbraw/zinc/16/60/61/570166061.db2.gz UVCYVAYSELXUJK-BRJLIKDPSA-N 0 0 490.299 7.060 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1C(C)C ZINC000409202676 570166070 /nfs/dbraw/zinc/16/60/70/570166070.db2.gz STTADFNYSKOABA-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1 ZINC000409202787 570166091 /nfs/dbraw/zinc/16/60/91/570166091.db2.gz UXTZVGWKCBNNBB-LGJNPRDNSA-N 0 0 491.198 7.243 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409202963 570166142 /nfs/dbraw/zinc/16/61/42/570166142.db2.gz TXMYGCUTDYQMAX-ZHUAHHRVSA-N 0 0 467.429 5.502 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccccc1F ZINC000409202809 570166112 /nfs/dbraw/zinc/16/61/12/570166112.db2.gz SMFPSTHDDVDLTL-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN COc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409202972 570166219 /nfs/dbraw/zinc/16/62/19/570166219.db2.gz UORYVCMOPPOAEW-WGOQTCKBSA-N 0 0 451.931 6.020 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F ZINC000409203036 570166222 /nfs/dbraw/zinc/16/62/22/570166222.db2.gz UTVIATZUSOAJLN-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409203137 570166244 /nfs/dbraw/zinc/16/62/44/570166244.db2.gz WHPWXKFTEDVXFD-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409203161 570166308 /nfs/dbraw/zinc/16/63/08/570166308.db2.gz UULLKTWHYQGGSR-BRJLIKDPSA-N 0 0 465.174 7.094 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409203472 570166358 /nfs/dbraw/zinc/16/63/58/570166358.db2.gz XFZPEYHVHIGNPJ-WKULSOCRSA-N 0 0 485.411 7.031 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409203589 570166480 /nfs/dbraw/zinc/16/64/80/570166480.db2.gz YWSHMPSVJNUGIM-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409203770 570166553 /nfs/dbraw/zinc/16/65/53/570166553.db2.gz XWZOTLSDHVSDBW-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409203708 570166624 /nfs/dbraw/zinc/16/66/24/570166624.db2.gz YJNFCQBVNHQJSE-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1Cl ZINC000409203731 570166638 /nfs/dbraw/zinc/16/66/38/570166638.db2.gz YNAKSPXJGCZDKG-UXHLAJHPSA-N 0 0 470.956 7.209 40 30 JKEBRN C#CCOc1c(I)cc(CNc2ccc(Br)cc2)cc1OCC ZINC000409204252 570166695 /nfs/dbraw/zinc/16/66/95/570166695.db2.gz DFMXSHGWAKUGNT-UHFFFAOYSA-N 0 0 486.147 5.077 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000409204501 570166828 /nfs/dbraw/zinc/16/68/28/570166828.db2.gz HIEOCZAZJYFFFW-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409206242 570167237 /nfs/dbraw/zinc/16/72/37/570167237.db2.gz NIOXBKZCIWXSNZ-ANEAMSMQSA-N 0 0 463.647 6.221 40 30 JKEBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1C#N ZINC000409207393 570167651 /nfs/dbraw/zinc/16/76/51/570167651.db2.gz UCQNQECNYPCTKG-QRVIBDJDSA-N 0 0 475.595 5.102 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409207789 570167822 /nfs/dbraw/zinc/16/78/22/570167822.db2.gz AAIATIAHOKCVJZ-OCSSWDANSA-N 0 0 461.920 7.610 40 30 JKEBRN Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1C ZINC000409208085 570167926 /nfs/dbraw/zinc/16/79/26/570167926.db2.gz ASRGTYLCCYYKNS-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409208115 570167940 /nfs/dbraw/zinc/16/79/40/570167940.db2.gz AYXPHXMQPDMZDN-BUVRLJJBSA-N 0 0 473.310 6.241 40 30 JKEBRN CCOc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)cc1 ZINC000409208330 570168043 /nfs/dbraw/zinc/16/80/43/570168043.db2.gz ARSYZIRXSKZXCX-OCSSWDANSA-N 0 0 472.972 6.968 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409208129 570168062 /nfs/dbraw/zinc/16/80/62/570168062.db2.gz BDVCIZURHSNFJF-VEDQWSTJSA-N 0 0 464.631 6.092 40 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570168473 /nfs/dbraw/zinc/16/84/73/570168473.db2.gz CKYQZHXPYCYVNE-XODNFHPESA-N 0 0 462.804 7.992 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209118 570168637 /nfs/dbraw/zinc/16/86/37/570168637.db2.gz GCMWWDJTXVYXGG-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000409209093 570168662 /nfs/dbraw/zinc/16/86/62/570168662.db2.gz FRAZWFFUZWSAEF-RPOADQSZSA-N 0 0 493.456 6.670 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409209197 570168664 /nfs/dbraw/zinc/16/86/64/570168664.db2.gz GKNYYKBHQLLAKF-ZVHZXABRSA-N 0 0 478.795 6.183 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409209499 570168821 /nfs/dbraw/zinc/16/88/21/570168821.db2.gz FXYHSQGWIXECKI-UXHLAJHPSA-N 0 0 457.957 7.779 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409209498 570168842 /nfs/dbraw/zinc/16/88/42/570168842.db2.gz BYTSRHNNNASJTA-RPPGKUMJSA-N 0 0 479.252 7.227 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409209530 570168901 /nfs/dbraw/zinc/16/89/01/570168901.db2.gz CEVNHEIEIFRTQO-ZBZBGTHFSA-N 0 0 490.585 6.625 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409209657 570168917 /nfs/dbraw/zinc/16/89/17/570168917.db2.gz GZPJNIWUNFZKTC-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409209818 570169025 /nfs/dbraw/zinc/16/90/25/570169025.db2.gz JEOOQLOPOWLRSU-KKMKTNMSSA-N 0 0 464.827 7.127 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409209952 570169171 /nfs/dbraw/zinc/16/91/71/570169171.db2.gz JWWVVBLQXWWBRS-KVSWJAHQSA-N 0 0 483.222 8.337 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)c1 ZINC000409210331 570169295 /nfs/dbraw/zinc/16/92/95/570169295.db2.gz JNOBQTWVOKDNSS-OKCVXOCRSA-N 0 0 456.973 7.187 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1Cl ZINC000409210293 570169314 /nfs/dbraw/zinc/16/93/14/570169314.db2.gz JDOJUPXZPMLXAB-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409210275 570169329 /nfs/dbraw/zinc/16/93/29/570169329.db2.gz JPOPCWLSFIASSD-RPPGKUMJSA-N 0 0 479.252 7.227 40 30 JKEBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000409210516 570169451 /nfs/dbraw/zinc/16/94/51/570169451.db2.gz JHHHYHCDRAJYGN-FSJBWODESA-N 0 0 476.941 6.040 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409210334 570169476 /nfs/dbraw/zinc/16/94/76/570169476.db2.gz KDQDAASUSSKSLB-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409210504 570169481 /nfs/dbraw/zinc/16/94/81/570169481.db2.gz KOTKZXNQPSLILT-CCVNUDIWSA-N 0 0 487.383 6.477 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(-c4ccccc4C(F)(F)F)o3)sc2C1 ZINC000409210661 570169501 /nfs/dbraw/zinc/16/95/01/570169501.db2.gz LUXMDZRYLQVCBW-YRWHEULUSA-N 0 0 456.533 7.800 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1 ZINC000409210650 570169529 /nfs/dbraw/zinc/16/95/29/570169529.db2.gz JXZBRPFMFOKFRQ-DHRITJCHSA-N 0 0 489.207 6.858 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 ZINC000409210619 570169542 /nfs/dbraw/zinc/16/95/42/570169542.db2.gz KJWCQKXQVRVBLL-DHRITJCHSA-N 0 0 475.301 6.077 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1OCC ZINC000409210819 570169627 /nfs/dbraw/zinc/16/96/27/570169627.db2.gz LAZPJIWVZGAYGP-SLHJDRLVSA-N 0 0 455.418 5.336 40 30 JKEBRN CCc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)cc1 ZINC000409210861 570169650 /nfs/dbraw/zinc/16/96/50/570169650.db2.gz LTBZMMKQCGXGHS-OCSSWDANSA-N 0 0 456.973 7.132 40 30 JKEBRN Brc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409211165 570169771 /nfs/dbraw/zinc/16/97/71/570169771.db2.gz NAGVIVMFHLWBJZ-MTDXEUNCSA-N 0 0 458.355 7.571 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409211143 570169805 /nfs/dbraw/zinc/16/98/05/570169805.db2.gz MHEAQSFFLUDXFJ-LUOAPIJWSA-N 0 0 469.246 7.772 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409211061 570169838 /nfs/dbraw/zinc/16/98/38/570169838.db2.gz KIAOSWLSCOVBBU-HRXXRIAWSA-N 0 0 490.585 6.625 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211277 570169883 /nfs/dbraw/zinc/16/98/83/570169883.db2.gz NGXALWKBUQIXNR-AFUMVMLFSA-N 0 0 488.403 5.901 40 30 JKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1C ZINC000409211221 570169887 /nfs/dbraw/zinc/16/98/87/570169887.db2.gz MPUVCSXZZSICAD-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1 ZINC000409211336 570169896 /nfs/dbraw/zinc/16/98/96/570169896.db2.gz MYIQITQZNJSZKV-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211409 570169927 /nfs/dbraw/zinc/16/99/27/570169927.db2.gz JAMZJYTZEDYVIT-DHRITJCHSA-N 0 0 469.335 6.312 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1F ZINC000409211558 570170019 /nfs/dbraw/zinc/17/00/19/570170019.db2.gz OHLYRZCQSWFMES-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211717 570170148 /nfs/dbraw/zinc/17/01/48/570170148.db2.gz OADFZJYZOPEDOR-VULFUBBASA-N 0 0 483.362 6.702 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409211825 570170290 /nfs/dbraw/zinc/17/02/90/570170290.db2.gz ORHRTWVPNNENQN-MUFRIFMGSA-N 0 0 474.398 7.557 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1Cl ZINC000409211886 570170298 /nfs/dbraw/zinc/17/02/98/570170298.db2.gz PBIYDAXGXJVTQJ-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000261526612 570170371 /nfs/dbraw/zinc/17/03/71/570170371.db2.gz DNICQEXYKQVLBH-UHFFFAOYSA-N 0 0 482.314 6.677 40 30 JKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 ZINC000409212439 570170424 /nfs/dbraw/zinc/17/04/24/570170424.db2.gz QBALZYJJGHJWIQ-YCJCGMCGSA-N 0 0 452.668 6.029 40 30 JKEBRN COc1ccc(C(=O)CSc2nc(-c3cccc4ccccc43)cc(-c3ccccc3)c2C#N)cc1 ZINC000261526781 570170429 /nfs/dbraw/zinc/17/04/29/570170429.db2.gz KSBBAWIOBPAFLZ-UHFFFAOYSA-N 0 0 486.596 7.424 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409212409 570170444 /nfs/dbraw/zinc/17/04/44/570170444.db2.gz MBFLZRHXHYQUTL-RPPGKUMJSA-N 0 0 450.800 6.819 40 30 JKEBRN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc4n[nH]cc4c3)n2)cc1 ZINC000261526789 570170481 /nfs/dbraw/zinc/17/04/81/570170481.db2.gz KXYXHVBEBHLVHK-UHFFFAOYSA-N 0 0 483.475 5.255 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 ZINC000409212285 570170526 /nfs/dbraw/zinc/17/05/26/570170526.db2.gz OOQUKHUHVMGDOV-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C ZINC000409212453 570170529 /nfs/dbraw/zinc/17/05/29/570170529.db2.gz QEYVTPTYCBXDFR-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1C(C)C ZINC000409212615 570170574 /nfs/dbraw/zinc/17/05/74/570170574.db2.gz RLJFMIYEONVBQW-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409212519 570170616 /nfs/dbraw/zinc/17/06/16/570170616.db2.gz QNKXXOADOCZPIS-LUOAPIJWSA-N 0 0 469.246 7.772 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl ZINC000409212869 570170645 /nfs/dbraw/zinc/17/06/45/570170645.db2.gz RGFIZNIIONKRCH-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409212684 570170653 /nfs/dbraw/zinc/17/06/53/570170653.db2.gz RWHZBGVLWLGKLU-QCFMCPCVSA-N 0 0 479.579 9.115 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000409212801 570170662 /nfs/dbraw/zinc/17/06/62/570170662.db2.gz RAADDPQMKGYFOE-NDZAJKAJSA-N 0 0 457.957 7.861 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409213039 570170756 /nfs/dbraw/zinc/17/07/56/570170756.db2.gz RYPKVVINCQNDIL-TUGOISKESA-N 0 0 484.021 5.888 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1F ZINC000409213169 570170908 /nfs/dbraw/zinc/17/09/08/570170908.db2.gz SVWNYULDZXFQDQ-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C(C)C ZINC000409213396 570170998 /nfs/dbraw/zinc/17/09/98/570170998.db2.gz UCWUNKMQJOFZHK-YRTYMPHOSA-N 0 0 497.875 7.315 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000409213376 570171019 /nfs/dbraw/zinc/17/10/19/570171019.db2.gz TXJRMKXUYZKVCW-JVWAILMASA-N 0 0 468.391 6.885 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2cccc(C)c2C)cc1 ZINC000409213627 570171122 /nfs/dbraw/zinc/17/11/22/570171122.db2.gz SJUXGIYKYUETPF-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409213843 570171260 /nfs/dbraw/zinc/17/12/60/570171260.db2.gz UATDUUOAYFSXRC-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000409213781 570171278 /nfs/dbraw/zinc/17/12/78/570171278.db2.gz VEIUKYCRQAENQC-QFQBBHSUSA-N 0 0 488.613 5.129 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409213746 570171281 /nfs/dbraw/zinc/17/12/81/570171281.db2.gz QPGVJACWUWXGSM-WSDLNYQXSA-N 0 0 472.251 5.817 40 30 JKEBRN O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000409213821 570171294 /nfs/dbraw/zinc/17/12/94/570171294.db2.gz UURYCBDLANGBOQ-OVVQPSECSA-N 0 0 463.942 6.651 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1C(C)C ZINC000409213712 570171310 /nfs/dbraw/zinc/17/13/10/570171310.db2.gz VMHUOCCWCMOJAE-YRTYMPHOSA-N 0 0 481.420 6.801 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000409214025 570171395 /nfs/dbraw/zinc/17/13/95/570171395.db2.gz WWRRWFNYRCRKGG-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409214064 570171441 /nfs/dbraw/zinc/17/14/41/570171441.db2.gz XLRXVAVEBLJAQL-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409214243 570171531 /nfs/dbraw/zinc/17/15/31/570171531.db2.gz WIATUFFDCMOQCB-KKMKTNMSSA-N 0 0 453.196 8.192 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2Br)c1 ZINC000409214114 570171543 /nfs/dbraw/zinc/17/15/43/570171543.db2.gz WBUDXGOLUFFZDC-MYVOUCEISA-N 0 0 487.463 6.426 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409214277 570171554 /nfs/dbraw/zinc/17/15/54/570171554.db2.gz WMAJFEUTAXGUKB-ZMOGYAJESA-N 0 0 477.729 6.283 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409214190 570171557 /nfs/dbraw/zinc/17/15/57/570171557.db2.gz WTLZARTUKASOBO-JFLMPSFJSA-N 0 0 452.392 7.103 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1O[C@H](C)CC ZINC000409214319 570171615 /nfs/dbraw/zinc/17/16/15/570171615.db2.gz WUGYTVVPZZLNFL-BIXPMSEDSA-N 0 0 483.472 6.114 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409214322 570171666 /nfs/dbraw/zinc/17/16/66/570171666.db2.gz XLFWWKQLCDHERV-CVKSISIWSA-N 0 0 467.363 5.924 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 ZINC000409214383 570171675 /nfs/dbraw/zinc/17/16/75/570171675.db2.gz UUWJQLSSEWRXRY-AFUMVMLFSA-N 0 0 473.208 7.104 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409214459 570171684 /nfs/dbraw/zinc/17/16/84/570171684.db2.gz XVOROAXVRYRGGO-DHRITJCHSA-N 0 0 489.207 6.858 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 ZINC000409214500 570171685 /nfs/dbraw/zinc/17/16/85/570171685.db2.gz XOWPSYZMQDSEJB-DHRITJCHSA-N 0 0 475.301 6.077 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409214722 570171753 /nfs/dbraw/zinc/17/17/53/570171753.db2.gz YDGYACJTDTXAMP-RDRPBHBLSA-N 0 0 472.382 7.879 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409214549 570171766 /nfs/dbraw/zinc/17/17/66/570171766.db2.gz YABTYKPKMOAWLV-ISHFRVPGSA-N 0 0 477.001 6.156 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C(C)C ZINC000409214576 570171781 /nfs/dbraw/zinc/17/17/81/570171781.db2.gz YHGRAYDLSVUDAG-SACJYJSVSA-N 0 0 452.023 6.432 40 30 JKEBRN COc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)cc1 ZINC000409214627 570171784 /nfs/dbraw/zinc/17/17/84/570171784.db2.gz YSLQJFZRNCYZFJ-MUFRIFMGSA-N 0 0 458.945 6.578 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000409214630 570171795 /nfs/dbraw/zinc/17/17/95/570171795.db2.gz WOMGULHYSGYWTC-PCLIKHOPSA-N 0 0 459.951 5.656 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c1 ZINC000409214998 570171898 /nfs/dbraw/zinc/17/18/98/570171898.db2.gz ZBJBKEOLMXLXHH-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409214840 570171915 /nfs/dbraw/zinc/17/19/15/570171915.db2.gz YMXVDNSMMSKZHB-XODNFHPESA-N 0 0 462.804 7.992 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409214842 570171924 /nfs/dbraw/zinc/17/19/24/570171924.db2.gz ZHJMFWYRVRPCMJ-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccccc3OCCOc3ccccc3)sc2C1 ZINC000409215121 570171997 /nfs/dbraw/zinc/17/19/97/570171997.db2.gz WSLPHPHLHUYZLK-JXBYXGIRSA-N 0 0 458.627 6.979 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409215036 570172009 /nfs/dbraw/zinc/17/20/09/570172009.db2.gz ZWFNUTOVZQONOA-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409215317 570172083 /nfs/dbraw/zinc/17/20/83/570172083.db2.gz XICXUNJRWXKGNC-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409215316 570172092 /nfs/dbraw/zinc/17/20/92/570172092.db2.gz XHDNFVXQHCAJOL-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409215385 570172108 /nfs/dbraw/zinc/17/21/08/570172108.db2.gz XRNTVZVTOIVGIT-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409215653 570172184 /nfs/dbraw/zinc/17/21/84/570172184.db2.gz CXZVOYHWUZQIPP-AFUMVMLFSA-N 0 0 453.336 5.534 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1F ZINC000409215666 570172185 /nfs/dbraw/zinc/17/21/85/570172185.db2.gz DDYYJPRVOSQLEG-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409215645 570172198 /nfs/dbraw/zinc/17/21/98/570172198.db2.gz CUQVQUHXBIMZRO-YDZHTSKRSA-N 0 0 486.278 6.207 40 30 JKEBRN O=C(COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 ZINC000409215615 570172218 /nfs/dbraw/zinc/17/22/18/570172218.db2.gz CIQWEKQCTNVQMO-RUMWWMSVSA-N 0 0 472.544 7.400 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409215435 570172220 /nfs/dbraw/zinc/17/22/20/570172220.db2.gz YSOYYBCDINYNLK-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409215822 570172360 /nfs/dbraw/zinc/17/23/60/570172360.db2.gz BJTZLKHSDDMSIX-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409215918 570172466 /nfs/dbraw/zinc/17/24/66/570172466.db2.gz GLVUPJMSFWEVJJ-ZEGANACSSA-N 0 0 450.435 6.490 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C(=NO)C3=O ZINC000263595043 570172593 /nfs/dbraw/zinc/17/25/93/570172593.db2.gz DCXLPAQDVMWNSP-ODQUJAPNSA-N 0 0 485.709 6.357 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 ZINC000409216163 570172605 /nfs/dbraw/zinc/17/26/05/570172605.db2.gz IGOYXHDVXIGDJP-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409216242 570172606 /nfs/dbraw/zinc/17/26/06/570172606.db2.gz JBGJAYZSPZEVHX-LQKURTRISA-N 0 0 495.417 6.487 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409216194 570172626 /nfs/dbraw/zinc/17/26/26/570172626.db2.gz GDOFFYRMZGVPET-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCCC(C)C)[C@@]1(C)CC3 ZINC000263613380 570172634 /nfs/dbraw/zinc/17/26/34/570172634.db2.gz ZFHQSJSZZADTSC-RAUKWTTHSA-N 0 0 484.765 8.309 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4c(F)cccc4Cl)c3)sc2C1 ZINC000409216687 570172778 /nfs/dbraw/zinc/17/27/78/570172778.db2.gz NZAXVOPZDDMDIB-CHPGRJDFSA-N 0 0 481.036 7.893 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409216504 570172789 /nfs/dbraw/zinc/17/27/89/570172789.db2.gz IQSXWGMUMLETQN-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c1 ZINC000409216656 570172812 /nfs/dbraw/zinc/17/28/12/570172812.db2.gz NITHKOSZNXZOQB-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000409216751 570172858 /nfs/dbraw/zinc/17/28/58/570172858.db2.gz OFGZNEPRIVOECC-OKCVXOCRSA-N 0 0 482.794 8.769 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409216790 570172888 /nfs/dbraw/zinc/17/28/88/570172888.db2.gz LNATXPBUSQAPHK-LEMJEDKYSA-N 0 0 473.038 6.407 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409216982 570172971 /nfs/dbraw/zinc/17/29/71/570172971.db2.gz MURMMVSURWETOQ-CCVNUDIWSA-N 0 0 471.384 6.641 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409217028 570172980 /nfs/dbraw/zinc/17/29/80/570172980.db2.gz QWUPACHTOGYECO-JFLMPSFJSA-N 0 0 497.389 5.933 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409216919 570172985 /nfs/dbraw/zinc/17/29/85/570172985.db2.gz MJYXGVHMVXDSFO-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409217122 570172997 /nfs/dbraw/zinc/17/29/97/570172997.db2.gz SAJTYLIRFMMZHD-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409217168 570173120 /nfs/dbraw/zinc/17/31/20/570173120.db2.gz SVLVTMUHNGOJFV-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1 ZINC000409217432 570173216 /nfs/dbraw/zinc/17/32/16/570173216.db2.gz UUEPMWQRMMQNPL-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409217479 570173220 /nfs/dbraw/zinc/17/32/20/570173220.db2.gz VWZFWNWDQCBNEX-JVWAILMASA-N 0 0 481.390 6.178 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409217506 570173235 /nfs/dbraw/zinc/17/32/35/570173235.db2.gz WIIZUOTYZJQMNC-MZJWZYIUSA-N 0 0 457.357 6.469 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409217946 570173311 /nfs/dbraw/zinc/17/33/11/570173311.db2.gz RUOPOEFZORRNLO-OCSSWDANSA-N 0 0 462.376 8.424 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)o1 ZINC000409217992 570173318 /nfs/dbraw/zinc/17/33/18/570173318.db2.gz GQBVNYJPCAKPCY-KEBDBYFISA-N 0 0 481.892 5.286 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409217662 570173373 /nfs/dbraw/zinc/17/33/73/570173373.db2.gz DZLCXANLDGEBTC-ZVHZXABRSA-N 0 0 457.311 5.938 40 30 JKEBRN CCCCCCCCCCCCS[C@@H](CC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000409218248 570173439 /nfs/dbraw/zinc/17/34/39/570173439.db2.gz DTQMAOYUBVLDPG-LJAQVGFWSA-N 0 0 453.736 8.721 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1 ZINC000409218083 570173446 /nfs/dbraw/zinc/17/34/46/570173446.db2.gz SMFXYJXVSGTCIG-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1 ZINC000409218393 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Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)o1 ZINC000409235955 570179758 /nfs/dbraw/zinc/17/97/58/570179758.db2.gz QURLOJOLWOALIO-RGVLZGJSSA-N 0 0 453.907 6.017 40 30 JKEBRN CC(C)(C)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328973638 570180183 /nfs/dbraw/zinc/18/01/83/570180183.db2.gz FBVLNWBAFCYAFB-UHFFFAOYSA-N 0 0 489.395 6.248 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)o1 ZINC000409237234 570180198 /nfs/dbraw/zinc/18/01/98/570180198.db2.gz ISKJATJIGWFDKG-RGVLZGJSSA-N 0 0 469.906 5.717 40 30 JKEBRN N#Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000328975953 570180216 /nfs/dbraw/zinc/18/02/16/570180216.db2.gz FMRHQWVFCWPGOM-UHFFFAOYSA-N 0 0 453.468 5.246 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1OC(C)C ZINC000409237463 570180344 /nfs/dbraw/zinc/18/03/44/570180344.db2.gz WWJODHHBIOCVSG-VCHYOVAHSA-N 0 0 495.826 6.098 40 30 JKEBRN CCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(OC)cc2)N(CC)C1=O ZINC000409237697 570180486 /nfs/dbraw/zinc/18/04/86/570180486.db2.gz BGDAHFZGZCXBCA-TZIVZOBOSA-N 0 0 461.381 5.480 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409239045 570181015 /nfs/dbraw/zinc/18/10/15/570181015.db2.gz FRFCVOLBRMHYFZ-FVGZADTASA-N 0 0 456.571 5.598 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409239087 570181017 /nfs/dbraw/zinc/18/10/17/570181017.db2.gz GGXLGHNYSYILSP-MNEJGJRCSA-N 0 0 461.606 6.981 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409239502 570181227 /nfs/dbraw/zinc/18/12/27/570181227.db2.gz NUZKSZJGUGNQGC-PHSRYYMBSA-N 0 0 489.553 5.806 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N/c1ccc(F)cc1 ZINC000409239617 570181251 /nfs/dbraw/zinc/18/12/51/570181251.db2.gz ZQBATYTZTGVNHF-KZWMQRDFSA-N 0 0 475.035 7.316 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(F)cc1 ZINC000409239417 570181255 /nfs/dbraw/zinc/18/12/55/570181255.db2.gz MOHSWHGQNZYOQS-VCICBFQVSA-N 0 0 477.517 5.937 40 30 JKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)cc1 ZINC000409239568 570181290 /nfs/dbraw/zinc/18/12/90/570181290.db2.gz HHWBJIMNCXKUKH-PCLIKHOPSA-N 0 0 493.076 6.794 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409239652 570181292 /nfs/dbraw/zinc/18/12/92/570181292.db2.gz HZHMJMFXSVWABY-AOFZEWBLSA-N 0 0 462.594 5.923 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1cccc(C)c1 ZINC000409239871 570181376 /nfs/dbraw/zinc/18/13/76/570181376.db2.gz RFZPVUFCTWIYNR-MFKUBSTISA-N 0 0 493.028 6.826 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(Br)cc1O ZINC000409240064 570181484 /nfs/dbraw/zinc/18/14/84/570181484.db2.gz JHHKHGIITNZNHZ-FRKPEAEDSA-N 0 0 453.745 5.017 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)S/C1=N/c1ccc(F)cc1 ZINC000409240499 570181718 /nfs/dbraw/zinc/18/17/18/570181718.db2.gz QCFOGCWVMLHGGT-DISDYRDVSA-N 0 0 485.378 6.781 40 30 JKEBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)o2)c1 ZINC000409241008 570181868 /nfs/dbraw/zinc/18/18/68/570181868.db2.gz MUKCEJYZPFTCBG-CIAFOILYSA-N 0 0 466.946 5.895 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409242026 570182355 /nfs/dbraw/zinc/18/23/55/570182355.db2.gz ZZYLZDJKFLWIBK-UMBRYHGHSA-N 0 0 472.488 6.598 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S1 ZINC000409242268 570182443 /nfs/dbraw/zinc/18/24/43/570182443.db2.gz QFXQPVOHWSRYHW-LPYMAVHISA-N 0 0 495.963 5.697 40 30 JKEBRN COc1cc(N2CCOCC2)ccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409242988 570182699 /nfs/dbraw/zinc/18/26/99/570182699.db2.gz XHJANNWNJVRBLF-ZEHKLFRWSA-N 0 0 471.582 5.340 40 30 JKEBRN CC[C@H](C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329050091 570183015 /nfs/dbraw/zinc/18/30/15/570183015.db2.gz USWCTPYOHJSPAJ-LBPRGKRZSA-N 0 0 488.407 5.998 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)S/C1=N/c1ccc(OC)cc1 ZINC000409243759 570183068 /nfs/dbraw/zinc/18/30/68/570183068.db2.gz YEQFHBIRWGVHIW-SNEUTOQVSA-N 0 0 494.616 7.051 40 30 JKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1Br ZINC000409243606 570183104 /nfs/dbraw/zinc/18/31/04/570183104.db2.gz ZAJOYSYVHZEABE-TZIVZOBOSA-N 0 0 461.381 5.480 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409243998 570183194 /nfs/dbraw/zinc/18/31/94/570183194.db2.gz WCMCUCJBPHZWOY-LEHOGFJWSA-N 0 0 460.452 6.728 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409244274 570183298 /nfs/dbraw/zinc/18/32/98/570183298.db2.gz AMMMDONRBFHGII-UCGGZGCLSA-N 0 0 471.960 6.650 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)S/C1=N/c1ccc(F)cc1 ZINC000409244256 570183364 /nfs/dbraw/zinc/18/33/64/570183364.db2.gz AFEPLGXPPZRAOZ-WUDIKGTHSA-N 0 0 471.897 6.271 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000409245893 570184074 /nfs/dbraw/zinc/18/40/74/570184074.db2.gz AMVXNRMNZASDGN-MFKUBSTISA-N 0 0 493.028 6.826 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409246054 570184133 /nfs/dbraw/zinc/18/41/33/570184133.db2.gz DEYCZWGLCQZJMF-YZSQISJMSA-N 0 0 482.580 5.794 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OC)c3C)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409246288 570184299 /nfs/dbraw/zinc/18/42/99/570184299.db2.gz AKOLGJMGRAUNPE-CMNMZUORSA-N 0 0 476.554 5.674 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(OCC)c1OCC ZINC000409246806 570184553 /nfs/dbraw/zinc/18/45/53/570184553.db2.gz DTFIXLXXVIGHRG-TVBXNAKKSA-N 0 0 466.603 5.845 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000409247090 570184686 /nfs/dbraw/zinc/18/46/86/570184686.db2.gz GFRFWYWRIIIJNU-ZMOGYAJESA-N 0 0 475.976 6.682 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)S/C1=N/c1ccc(F)cc1 ZINC000409247223 570184693 /nfs/dbraw/zinc/18/46/93/570184693.db2.gz CNFSJZQQULTPMP-VBJFXANNSA-N 0 0 455.555 5.067 40 30 JKEBRN COc1cccc(Oc2ccc(/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)cc2)c1 ZINC000409247864 570184965 /nfs/dbraw/zinc/18/49/65/570184965.db2.gz ONDBLLUCDMLVHP-DXJNIWACSA-N 0 0 450.513 7.380 40 30 JKEBRN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C ZINC000334162494 570184997 /nfs/dbraw/zinc/18/49/97/570184997.db2.gz OOLLAFOLCSJHRE-YDEJANJOSA-N 0 0 475.629 5.543 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)cc1 ZINC000409248363 570185050 /nfs/dbraw/zinc/18/50/50/570185050.db2.gz FTFNKJAUMVGDOO-BUVRLJJBSA-N 0 0 457.530 5.729 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409248320 570185069 /nfs/dbraw/zinc/18/50/69/570185069.db2.gz PNMQFAUVPCRGGJ-YDZHTSKRSA-N 0 0 499.419 6.781 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409248654 570185091 /nfs/dbraw/zinc/18/50/91/570185091.db2.gz LUABLZQVXAKLAR-BUVRLJJBSA-N 0 0 499.523 5.004 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)S/C1=N/c1ccc(F)cc1 ZINC000409248796 570185188 /nfs/dbraw/zinc/18/51/88/570185188.db2.gz QUABOVDPQWLWGA-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)N(CC)C3=O)c2C)cc1 ZINC000409249329 570185348 /nfs/dbraw/zinc/18/53/48/570185348.db2.gz KEAWNDDNVXKFDN-AOFZEWBLSA-N 0 0 463.578 6.256 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccn2-c2cccc(Br)c2)S1 ZINC000409251049 570185729 /nfs/dbraw/zinc/18/57/29/570185729.db2.gz SSGWTMPOCIWDBE-XDHOZWIPSA-N 0 0 472.795 6.093 40 30 JKEBRN Cc1ccc(C)c(NC(=O)COc2cccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)c2)c1 ZINC000409251499 570185880 /nfs/dbraw/zinc/18/58/80/570185880.db2.gz PEDGZUQUZVTKSL-UHFFFAOYSA-N 0 0 484.596 5.364 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2)cc1C ZINC000409251546 570185913 /nfs/dbraw/zinc/18/59/13/570185913.db2.gz PMDUQILBUWYKBD-UHFFFAOYSA-N 0 0 471.553 5.449 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)S/C1=N/c1ccc(F)cc1 ZINC000409251956 570186042 /nfs/dbraw/zinc/18/60/42/570186042.db2.gz RKFPZSNHOLXTLS-FWJYUGCASA-N 0 0 482.580 7.182 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)S2)cc1 ZINC000408526911 570186228 /nfs/dbraw/zinc/18/62/28/570186228.db2.gz ACPYQROHWQDORF-HMAPJEAMSA-N 0 0 499.013 5.616 40 30 JKEBRN CCOc1ccccc1-c1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n[nH]1 ZINC000408526868 570186231 /nfs/dbraw/zinc/18/62/31/570186231.db2.gz HOZAVIBKTAXJOA-OAHLLOKOSA-N 0 0 495.674 5.685 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408527253 570186308 /nfs/dbraw/zinc/18/63/08/570186308.db2.gz BOMIPJRCIAYUOJ-XKZIYDEJSA-N 0 0 497.389 6.367 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408527361 570186380 /nfs/dbraw/zinc/18/63/80/570186380.db2.gz AGDROOGOSHWLJX-NHDPSOOVSA-N 0 0 489.811 7.117 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408528032 570186484 /nfs/dbraw/zinc/18/64/84/570186484.db2.gz CBJJMOXCOKAAIE-BKUYFWCQSA-N 0 0 468.937 5.958 40 30 JKEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000408527752 570186584 /nfs/dbraw/zinc/18/65/84/570186584.db2.gz BQAIBBXEPFYXPR-BKUYFWCQSA-N 0 0 498.391 5.903 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409254200 570186611 /nfs/dbraw/zinc/18/66/11/570186611.db2.gz VZDIWLSYIJXPIG-YZSQISJMSA-N 0 0 482.580 5.794 40 30 JKEBRN Cc1ccc(C)c(NC(=O)COc2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2)c1 ZINC000409254613 570186667 /nfs/dbraw/zinc/18/66/67/570186667.db2.gz DXYFGNDGXOSQJZ-UHFFFAOYSA-N 0 0 470.569 5.022 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Br)c1OC ZINC000408528054 570186726 /nfs/dbraw/zinc/18/67/26/570186726.db2.gz CFNVWWHYBMAKJF-YBEGLDIGSA-N 0 0 467.772 5.401 40 30 JKEBRN Cc1cccc(NC(=O)COc2cccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)c2)c1 ZINC000409256180 570186953 /nfs/dbraw/zinc/18/69/53/570186953.db2.gz KCYATIPXAVUAND-UHFFFAOYSA-N 0 0 470.569 5.056 40 30 JKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Br ZINC000408528941 570187007 /nfs/dbraw/zinc/18/70/07/570187007.db2.gz FVEWZPZKMAIXCT-BOPFTXTBSA-N 0 0 451.773 5.783 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2)c1 ZINC000409259005 570187251 /nfs/dbraw/zinc/18/72/51/570187251.db2.gz YSZOKLFBWNAFNJ-UHFFFAOYSA-N 0 0 457.526 5.141 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(=O)Nc2cccc(C)c2)C2=C1CCCC2=O ZINC000409260811 570187475 /nfs/dbraw/zinc/18/74/75/570187475.db2.gz WWDQSZOCTYFOPW-UHFFFAOYSA-N 0 0 484.596 5.446 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409261406 570187621 /nfs/dbraw/zinc/18/76/21/570187621.db2.gz BSDZKRFITSOWNT-UHFFFAOYSA-N 0 0 491.971 5.794 40 30 JKEBRN CCCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC ZINC000408530810 570187808 /nfs/dbraw/zinc/18/78/08/570187808.db2.gz NMJCTIAQIXMWNL-BOPFTXTBSA-N 0 0 481.799 5.792 40 30 JKEBRN Cc1ccccc1NC(=O)COc1cccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1 ZINC000409262056 570187841 /nfs/dbraw/zinc/18/78/41/570187841.db2.gz DLEISRILPYFWFC-UHFFFAOYSA-N 0 0 470.569 5.056 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408530776 570187867 /nfs/dbraw/zinc/18/78/67/570187867.db2.gz NJRACKIOBNAMFB-CEUNXORHSA-N 0 0 486.596 7.464 40 30 JKEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl)Nc1ccccc1 ZINC000408531094 570187932 /nfs/dbraw/zinc/18/79/32/570187932.db2.gz OCYWTARDTUXFSD-BKUYFWCQSA-N 0 0 498.391 5.903 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000408531572 570188048 /nfs/dbraw/zinc/18/80/48/570188048.db2.gz MHMUODQWADAOEH-XKZIYDEJSA-N 0 0 469.393 6.772 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)S2)cc1 ZINC000408531313 570188113 /nfs/dbraw/zinc/18/81/13/570188113.db2.gz LPNBGGGTPVTMHA-MTJSOVHGSA-N 0 0 487.383 6.912 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2)cc1Cl ZINC000409264479 570188162 /nfs/dbraw/zinc/18/81/62/570188162.db2.gz FZCXCYGVEXPXJF-UHFFFAOYSA-N 0 0 491.971 5.794 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Cl)c3)S2)cc1 ZINC000408531855 570188203 /nfs/dbraw/zinc/18/82/03/570188203.db2.gz MNHNMFPIXIVTAB-XKZIYDEJSA-N 0 0 452.938 6.258 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(=O)Nc2cc(C)ccc2C)C2=C1CCCC2=O ZINC000409265142 570188234 /nfs/dbraw/zinc/18/82/34/570188234.db2.gz NYLVFFHKRMCGID-UHFFFAOYSA-N 0 0 498.623 5.754 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408532133 570188402 /nfs/dbraw/zinc/18/84/02/570188402.db2.gz SLHXZTGIWMRVDL-MTJSOVHGSA-N 0 0 489.811 7.117 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408532336 570188474 /nfs/dbraw/zinc/18/84/74/570188474.db2.gz UGRSSNITEVPFKX-STZFKDTASA-N 0 0 484.986 5.308 40 30 JKEBRN CCCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 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0 0 482.902 6.275 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1N1CCCC1 ZINC000409278473 570190397 /nfs/dbraw/zinc/19/03/97/570190397.db2.gz FNYUAXYRGIKUQB-UHFFFAOYSA-N 0 0 453.384 5.073 40 30 JKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409278736 570190519 /nfs/dbraw/zinc/19/05/19/570190519.db2.gz DYSCMSNVIVTHGD-UHFFFAOYSA-N 0 0 471.988 6.559 40 30 JKEBRN CC(C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409279089 570190549 /nfs/dbraw/zinc/19/05/49/570190549.db2.gz GPXVNWDABWCBON-UHFFFAOYSA-N 0 0 487.354 5.034 40 30 JKEBRN C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409279365 570190687 /nfs/dbraw/zinc/19/06/87/570190687.db2.gz GWURZTCXUTYXLT-UHFFFAOYSA-N 0 0 464.363 5.101 40 30 JKEBRN CC(C)(C)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409279322 570190688 /nfs/dbraw/zinc/19/06/88/570190688.db2.gz GSKUDUXPCHYZKD-UHFFFAOYSA-N 0 0 470.411 5.764 40 30 JKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N4CCCC4)cc3C)cc21 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570193341 /nfs/dbraw/zinc/19/33/41/570193341.db2.gz DPYFBNAMCNQYAZ-UHFFFAOYSA-N 0 0 479.502 6.405 40 30 JKEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1O[C@@H](C)CC ZINC000409288840 570193355 /nfs/dbraw/zinc/19/33/55/570193355.db2.gz JMVHNZSICNYHAS-HNNXBMFYSA-N 0 0 484.394 5.264 40 30 JKEBRN CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409289228 570193396 /nfs/dbraw/zinc/19/33/96/570193396.db2.gz LONSTHBBJPNRPK-MRXNPFEDSA-N 0 0 485.426 5.408 40 30 JKEBRN C=CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OCC ZINC000409288802 570193409 /nfs/dbraw/zinc/19/34/09/570193409.db2.gz BZXZSGVFZMTRBF-UHFFFAOYSA-N 0 0 470.367 5.128 40 30 JKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OCC#N ZINC000409289633 570193455 /nfs/dbraw/zinc/19/34/55/570193455.db2.gz OARNASRSUDGEAJ-UHFFFAOYSA-N 0 0 494.507 5.002 40 30 JKEBRN Cc1ccc(Sc2ccc(C=Nn3c(C)nc4ccc(Br)cc4c3=O)o2)cc1 ZINC000409289408 570193501 /nfs/dbraw/zinc/19/35/01/570193501.db2.gz GHOIHQCLDUJQDH-UHFFFAOYSA-N 0 0 454.349 5.402 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Sc1ccc(Cl)cc1 ZINC000409289581 570193528 /nfs/dbraw/zinc/19/35/28/570193528.db2.gz HDWKBXPRYJQBEB-UHFFFAOYSA-N 0 0 498.833 6.408 40 30 JKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000409289870 570193567 /nfs/dbraw/zinc/19/35/67/570193567.db2.gz IRECQHSFNKOLOG-UHFFFAOYSA-N 0 0 481.552 5.634 40 30 JKEBRN CC[C@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409289789 570193631 /nfs/dbraw/zinc/19/36/31/570193631.db2.gz IEBIIPVMTNJUGQ-INIZCTEOSA-N 0 0 482.968 6.065 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(Br)c1 ZINC000409289981 570193635 /nfs/dbraw/zinc/19/36/35/570193635.db2.gz QBWDOMIJIYEIPL-UHFFFAOYSA-N 0 0 493.199 5.153 40 30 JKEBRN CC(C)Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409289775 570193679 /nfs/dbraw/zinc/19/36/79/570193679.db2.gz ICYRHLJWDDSQOE-UHFFFAOYSA-N 0 0 473.532 6.632 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(C)n(C)c2C)cc1C(C)C 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40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(-c2cccc(F)c2)o1 ZINC000409291699 570194118 /nfs/dbraw/zinc/19/41/18/570194118.db2.gz BNGVSJDLHHJOEO-UHFFFAOYSA-N 0 0 483.886 6.744 40 30 JKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C(C)C)cc2)cc1C(C)C ZINC000409291508 570194123 /nfs/dbraw/zinc/19/41/23/570194123.db2.gz CVTIJTGKVSQOTK-UHFFFAOYSA-N 0 0 453.586 6.510 40 30 JKEBRN CC(=O)n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000409291422 570194141 /nfs/dbraw/zinc/19/41/41/570194141.db2.gz PSWMWWIDMGUUCV-UHFFFAOYSA-N 0 0 474.442 5.579 40 30 JKEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000409291760 570194175 /nfs/dbraw/zinc/19/41/75/570194175.db2.gz YNIMCWXXIQOROJ-UHFFFAOYSA-N 0 0 484.781 6.252 40 30 JKEBRN CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000409292075 570194209 /nfs/dbraw/zinc/19/42/09/570194209.db2.gz RVPFIALTCXDUDU-UHFFFAOYSA-N 0 0 478.335 6.397 40 30 JKEBRN 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AXIRGTIRPMKAQR-UHFFFAOYSA-N 0 0 498.602 6.111 40 30 JKEBRN CC[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409301589 570196895 /nfs/dbraw/zinc/19/68/95/570196895.db2.gz BBLXYOYOYIIYAM-NSHDSACASA-N 0 0 483.193 5.834 40 30 JKEBRN Cc1c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc2n1CC#N ZINC000409302010 570197002 /nfs/dbraw/zinc/19/70/02/570197002.db2.gz COBROTUNCWNZOE-UHFFFAOYSA-N 0 0 485.469 5.751 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1Cc1ccccc1 ZINC000409301956 570197006 /nfs/dbraw/zinc/19/70/06/570197006.db2.gz CIDPORGCBZGGQQ-UHFFFAOYSA-N 0 0 477.406 5.631 40 30 JKEBRN COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409301946 570197010 /nfs/dbraw/zinc/19/70/10/570197010.db2.gz DOHMREPZZVOEIH-UHFFFAOYSA-N 0 0 474.786 5.751 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000409302217 570197022 /nfs/dbraw/zinc/19/70/22/570197022.db2.gz IBXFCXJFUXJMGA-UHFFFAOYSA-N 0 0 477.406 5.710 40 30 JKEBRN COC(=O)[C@H](C)n1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc21 ZINC000409302201 570197025 /nfs/dbraw/zinc/19/70/25/570197025.db2.gz DMWPRKMFWDAHJP-SFHVURJKSA-N 0 0 456.546 5.015 40 30 JKEBRN CCN(CC)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1 ZINC000409302319 570197043 /nfs/dbraw/zinc/19/70/43/570197043.db2.gz DCYWLRLXVWWNJP-UHFFFAOYSA-N 0 0 466.541 5.547 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccccc2F)cc1 ZINC000409302534 570197118 /nfs/dbraw/zinc/19/71/18/570197118.db2.gz GHVFNNBMRPQLEV-UHFFFAOYSA-N 0 0 480.337 5.322 40 30 JKEBRN Cc1ccc(Cl)cc1-c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)o1 ZINC000409302708 570197132 /nfs/dbraw/zinc/19/71/32/570197132.db2.gz FEDBEAKUJLRLIW-UHFFFAOYSA-N 0 0 484.781 6.386 40 30 JKEBRN CC(C)(C)Cn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409302854 570197232 /nfs/dbraw/zinc/19/72/32/570197232.db2.gz GVPGTVIPZBZYEW-UHFFFAOYSA-N 0 0 474.564 6.693 40 30 JKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409302939 570197239 /nfs/dbraw/zinc/19/72/39/570197239.db2.gz HJKAVRZDZACOLS-OAHLLOKOSA-N 0 0 456.384 5.516 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(OC)c1OCC ZINC000409303011 570197240 /nfs/dbraw/zinc/19/72/40/570197240.db2.gz FRPZLELSZXOUDW-UHFFFAOYSA-N 0 0 484.394 5.300 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1cccc(C)c1 ZINC000409302936 570197246 /nfs/dbraw/zinc/19/72/46/570197246.db2.gz HJGMTDHCLOKMGZ-UHFFFAOYSA-N 0 0 476.374 5.491 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000409302877 570197255 /nfs/dbraw/zinc/19/72/55/570197255.db2.gz GWNRQVBJMLNBIK-UHFFFAOYSA-N 0 0 481.306 5.080 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C#N)cc2)o1 ZINC000409302885 570197259 /nfs/dbraw/zinc/19/72/59/570197259.db2.gz LHYYBLQNALLAJK-HNNXBMFYSA-N 0 0 475.346 5.686 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(C#N)cc2)o1 ZINC000409302887 570197274 /nfs/dbraw/zinc/19/72/74/570197274.db2.gz LHYYBLQNALLAJK-OAHLLOKOSA-N 0 0 475.346 5.686 40 30 JKEBRN N#Cc1ccccc1COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409302852 570197275 /nfs/dbraw/zinc/19/72/75/570197275.db2.gz GVMXEDPZCZDVSE-UHFFFAOYSA-N 0 0 496.526 6.143 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Sc2ccc(C)cc2)o1 ZINC000409303697 570197339 /nfs/dbraw/zinc/19/73/39/570197339.db2.gz OAGPZWIOZARGFS-INIZCTEOSA-N 0 0 496.430 6.607 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1O[C@H](C)CC ZINC000409303466 570197393 /nfs/dbraw/zinc/19/73/93/570197393.db2.gz HLPGAEIFLLFQJK-OAQYLSRUSA-N 0 0 487.644 6.631 40 30 JKEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OC(C)C ZINC000409303542 570197397 /nfs/dbraw/zinc/19/73/97/570197397.db2.gz NJJGWSZYYHIGTE-UHFFFAOYSA-N 0 0 453.498 5.488 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCCC2)o1 ZINC000409304204 570197461 /nfs/dbraw/zinc/19/74/61/570197461.db2.gz QJSVUTYOTKODDQ-UHFFFAOYSA-N 0 0 497.437 6.062 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000409303761 570197464 /nfs/dbraw/zinc/19/74/64/570197464.db2.gz OKUNDHPECLODFW-AWEZNQCLSA-N 0 0 487.354 5.079 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C(C)C)c(OC)cc1C ZINC000409303874 570197467 /nfs/dbraw/zinc/19/74/67/570197467.db2.gz OSGDPQWHIICRII-UHFFFAOYSA-N 0 0 456.384 5.434 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000409304141 570197510 /nfs/dbraw/zinc/19/75/10/570197510.db2.gz JDCICPJWOWTLEI-UHFFFAOYSA-N 0 0 492.251 5.508 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1Br ZINC000409304393 570197644 /nfs/dbraw/zinc/19/76/44/570197644.db2.gz JYLAIYWPNXGFFG-UHFFFAOYSA-N 0 0 493.199 5.110 40 30 JKEBRN C#CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1OC ZINC000409304404 570197649 /nfs/dbraw/zinc/19/76/49/570197649.db2.gz JXQKLFQPCNPAPZ-UHFFFAOYSA-N 0 0 483.911 5.366 40 30 JKEBRN COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1cc(C(C)C)c(OC)cc1C ZINC000409305040 570197732 /nfs/dbraw/zinc/19/77/32/570197732.db2.gz LOZDQBFUSSIQSX-UHFFFAOYSA-N 0 0 475.976 6.048 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OC ZINC000409304845 570197747 /nfs/dbraw/zinc/19/77/47/570197747.db2.gz SEHVFRJVHRNJNE-GFCCVEGCSA-N 0 0 493.199 5.326 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(C)c(C)c1 ZINC000409304861 570197760 /nfs/dbraw/zinc/19/77/60/570197760.db2.gz SJMLIQZIPVMBRT-UHFFFAOYSA-N 0 0 477.406 5.791 40 30 JKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(-c2cccc(F)c2)o1 ZINC000409304987 570197851 /nfs/dbraw/zinc/19/78/51/570197851.db2.gz LJFDEWZKBAMJLC-UHFFFAOYSA-N 0 0 477.417 6.364 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000409305394 570197906 /nfs/dbraw/zinc/19/79/06/570197906.db2.gz MXEKOHBYSVBRIR-UHFFFAOYSA-N 0 0 465.512 6.998 40 30 JKEBRN C=CCn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000409305970 570197963 /nfs/dbraw/zinc/19/79/63/570197963.db2.gz OQXBBBBXVSPFAY-UHFFFAOYSA-N 0 0 472.470 6.105 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(O)c(Cl)c1 ZINC000409306308 570197993 /nfs/dbraw/zinc/19/79/93/570197993.db2.gz ZISYZMMAHXYZRA-UHFFFAOYSA-N 0 0 460.759 5.448 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000409306429 570198004 /nfs/dbraw/zinc/19/80/04/570198004.db2.gz QCTNNBSMNYJJAO-UHFFFAOYSA-N 0 0 498.380 6.082 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCC2)cc1OC ZINC000409306231 570198027 /nfs/dbraw/zinc/19/80/27/570198027.db2.gz ZDOZLXPSVKHPBH-MRXNPFEDSA-N 0 0 483.410 5.164 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1cc(C)ccn1 ZINC000409305997 570198041 /nfs/dbraw/zinc/19/80/41/570198041.db2.gz OXMVHRXWYOVDBA-UHFFFAOYSA-N 0 0 478.394 5.276 40 30 JKEBRN Cc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c2ccccc2n1C(C)C ZINC000409306897 570198124 /nfs/dbraw/zinc/19/81/24/570198124.db2.gz RCPXHKLSFMIYSL-UHFFFAOYSA-N 0 0 479.422 6.183 40 30 JKEBRN Cc1ccccc1NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409306621 570198160 /nfs/dbraw/zinc/19/81/60/570198160.db2.gz QHSRYXVONOABSB-UHFFFAOYSA-N 0 0 494.595 5.652 40 30 JKEBRN Cc1ccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C(C)C)o2)cc1[N+](=O)[O-] ZINC000409306870 570198168 /nfs/dbraw/zinc/19/81/68/570198168.db2.gz QZUQIBLJPRKQQJ-UHFFFAOYSA-N 0 0 495.333 5.641 40 30 JKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(OCc2cccc(F)c2)c1 ZINC000409306579 570198172 /nfs/dbraw/zinc/19/81/72/570198172.db2.gz QYSNWRWSLCZPSR-UHFFFAOYSA-N 0 0 455.533 6.045 40 30 JKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(-c3ccccc3)o2)cc1C(C)C ZINC000409307330 570198271 /nfs/dbraw/zinc/19/82/71/570198271.db2.gz UNOGOWVRQBVWEC-UHFFFAOYSA-N 0 0 477.564 6.646 40 30 JKEBRN COc1cc(C)c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1C(C)C ZINC000409306988 570198291 /nfs/dbraw/zinc/19/82/91/570198291.db2.gz SQIQAIMDHLCFAS-UHFFFAOYSA-N 0 0 470.411 5.779 40 30 JKEBRN CSc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409307363 570198298 /nfs/dbraw/zinc/19/82/98/570198298.db2.gz UPCKDSYLFHVAHX-UHFFFAOYSA-N 0 0 490.382 6.176 40 30 JKEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O)ccc2ccccc21 ZINC000409307452 570198384 /nfs/dbraw/zinc/19/83/84/570198384.db2.gz UXCXSWXLMVGPKP-UHFFFAOYSA-N 0 0 450.336 5.198 40 30 JKEBRN CC(=O)Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409307843 570198395 /nfs/dbraw/zinc/19/83/95/570198395.db2.gz VARXMZIXFOBPOC-UHFFFAOYSA-N 0 0 457.873 5.271 40 30 JKEBRN CC(C)(C)COc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409307873 570198399 /nfs/dbraw/zinc/19/83/99/570198399.db2.gz WPYMIQFCBBAYFY-UHFFFAOYSA-N 0 0 451.998 6.405 40 30 JKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)ccc1OC(C)C ZINC000409307738 570198426 /nfs/dbraw/zinc/19/84/26/570198426.db2.gz VYVJIDYUDHPPAF-UHFFFAOYSA-N 0 0 497.551 5.886 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccn1-c1ccccc1 ZINC000409307703 570198428 /nfs/dbraw/zinc/19/84/28/570198428.db2.gz UMOHFYLNVIEBFL-UHFFFAOYSA-N 0 0 464.912 6.136 40 30 JKEBRN 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ZINC000408592202 570209360 /nfs/dbraw/zinc/20/93/60/570209360.db2.gz LQFQIAWCFCBVJK-OCSSWDANSA-N 0 0 480.524 6.004 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408593083 570209598 /nfs/dbraw/zinc/20/95/98/570209598.db2.gz OVTBZYPUYDLKAJ-UFFVCSGVSA-N 0 0 467.728 6.306 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408593074 570209608 /nfs/dbraw/zinc/20/96/08/570209608.db2.gz OUFRNXOZNIOWAP-IPBVOBEMSA-N 0 0 480.178 7.302 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408593075 570209631 /nfs/dbraw/zinc/20/96/31/570209631.db2.gz OUGIZXPMJOCYIX-KKMKTNMSSA-N 0 0 473.729 6.243 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N ZINC000408593013 570209643 /nfs/dbraw/zinc/20/96/43/570209643.db2.gz NYWRTXXFFYPAKJ-LGJNPRDNSA-N 0 0 451.866 5.258 40 30 JKEBRN Cc1cccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2I)c1 ZINC000408593466 570209806 /nfs/dbraw/zinc/20/98/06/570209806.db2.gz PQDWUOHHSCYPNG-VULFUBBASA-N 0 0 482.321 5.601 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000060087370 717131834 /nfs/dbraw/zinc/13/18/34/717131834.db2.gz NEGQHKSYEYVFTD-QHCPKHFHSA-O 0 0 496.646 5.212 40 30 JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C/C(=N\O)[C@]2(O)C1 ZINC000008382502 290684751 /nfs/dbraw/zinc/68/47/51/290684751.db2.gz QGVHVXRQEBXHEC-MFKSKGDRSA-N 0 0 475.714 6.594 40 30 biogenic,in-vitro JKEBRN C=CCn1c(-c2c(C)oc3ccccc32)cs/c1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000016754950 125375961 /nfs/dbraw/zinc/37/59/61/125375961.db2.gz NSTRXYRRJKMAFC-XUTLUUPISA-N 0 0 450.994 5.462 40 30 JKEBRN C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257555485 291548791 /nfs/dbraw/zinc/54/87/91/291548791.db2.gz UMTABACRBSGXGK-DOAWLNOZSA-N 0 0 458.727 6.517 40 30 biogenic,in-vitro JKEBRN C=C1CC[C@@H]2C(C)(C)[C@H](OC(=O)/C(C)=C\C)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000225415436 291554392 /nfs/dbraw/zinc/55/43/92/291554392.db2.gz RXCOPEUPNGTASP-KTXISJQYSA-N 0 0 464.602 6.459 40 30 biogenic,in-vitro JKEBRN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=S)Nc2cccc(C#N)c2)C1 ZINC000008636269 291600409 /nfs/dbraw/zinc/60/04/09/291600409.db2.gz CSVPNZKNJBHNDD-ISKFKSNPSA-N 0 0 455.631 5.883 40 30 biogenic,in-vitro JKEBRN N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1 ZINC000000842726 193923410 /nfs/dbraw/zinc/92/34/10/193923410.db2.gz NMEOXGDLHFEOIM-UHFFFAOYSA-N 0 0 465.534 5.747 40 30 JKEBRN C=C1S/C(=N\c2c(C)cc(C)cc2C)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 ZINC000001566917 194128088 /nfs/dbraw/zinc/12/80/88/194128088.db2.gz HGXZSOPAHONQJE-WCTVFOPTSA-N 0 0 495.113 8.573 40 30 JKEBRN N=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000003067601 194223856 /nfs/dbraw/zinc/22/38/56/194223856.db2.gz CZBGVEUQNYSPRG-KRWDZBQOSA-N 0 0 454.377 6.126 40 30 JKEBRN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)Oc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000003087971 194224480 /nfs/dbraw/zinc/22/44/80/194224480.db2.gz AHTVCUCCYWJVPQ-GVAUOCQISA-N 0 0 451.913 5.347 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000003094527 194225031 /nfs/dbraw/zinc/22/50/31/194225031.db2.gz DHZIBSLRZQKCQE-BRJLIKDPSA-N 0 0 451.320 6.339 40 30 JKEBRN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C=Nc3ccccc3)c3ccccc3C2c2ccccc21 ZINC000003096142 194225432 /nfs/dbraw/zinc/22/54/32/194225432.db2.gz IFMKCBLUUZJEOE-PLPSIAPQSA-N 0 0 498.582 6.039 40 30 JKEBRN CCCCCCCn1c2ccccc2nc1/N=C/c1c(O)ccc2cc(Br)ccc21 ZINC000003173906 194234423 /nfs/dbraw/zinc/23/44/23/194234423.db2.gz BOANZMCHWBCNPE-WPWMEQJKSA-N 0 0 464.407 7.379 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O ZINC000003190965 194236852 /nfs/dbraw/zinc/23/68/52/194236852.db2.gz KHFJJJHGXGGRJI-LGJNPRDNSA-N 0 0 465.347 6.729 40 30 JKEBRN Cc1ccc2oc(-c3ccc(Cl)c(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)c3)nc2c1 ZINC000003191046 194236936 /nfs/dbraw/zinc/23/69/36/194236936.db2.gz WVPPUBLIZAQNMM-UVHMKAGCSA-N 0 0 457.873 6.974 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O ZINC000003206370 194238902 /nfs/dbraw/zinc/23/89/02/194238902.db2.gz RAKQKGIVBKUMAE-LGJNPRDNSA-N 0 0 465.347 6.729 40 30 JKEBRN Clc1ccc(C#C[C@H](Cc2ccccc2Br)c2ccccc2Br)cc1 ZINC000003114433 194227570 /nfs/dbraw/zinc/22/75/70/194227570.db2.gz ZXEVXZOATMTSHX-QGZVFWFLSA-N 0 0 474.623 7.243 40 30 JKEBRN FC(F)(F)c1ccccc1NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003275334 194260039 /nfs/dbraw/zinc/26/00/39/194260039.db2.gz WGEDAEBASAOQRK-LGJNPRDNSA-N 0 0 471.533 5.940 40 30 JKEBRN N#Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(C#N)cc6s5)cc4)s3)sc2c1 ZINC000003851636 194364591 /nfs/dbraw/zinc/36/45/91/194364591.db2.gz WDSLFCVQUIKBDH-UHFFFAOYSA-N 0 0 476.611 7.712 40 30 JKEBRN CCOC(=O)N=C1C(c2ccccc2)(c2ccccc2)S(=O)(=O)C1(c1ccccc1)c1ccccc1 ZINC000004265418 194386684 /nfs/dbraw/zinc/38/66/84/194386684.db2.gz ZKBRFYBIQQUJJE-UHFFFAOYSA-N 0 0 495.600 5.900 40 30 JKEBRN Cc1ccc2oc(CCC(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(-c3ccccc3)c2c1 ZINC000004293260 194387646 /nfs/dbraw/zinc/38/76/46/194387646.db2.gz JDHAKRLPWALQGM-YZSQISJMSA-N 0 0 458.474 6.645 40 30 JKEBRN Cc1ccc(-c2c3ccccc3oc2CCC(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004293262 194387654 /nfs/dbraw/zinc/38/76/54/194387654.db2.gz KATMHHFLXITYFK-YZSQISJMSA-N 0 0 458.474 6.645 40 30 JKEBRN CN(/N=C/c1ccccc1Cl)C(c1ccccc1Cl)N(C)/N=C\c1ccccc1Cl ZINC000004758779 194395083 /nfs/dbraw/zinc/39/50/83/194395083.db2.gz QOEOBARWBGJLKG-XFPKHNAPSA-N 0 0 459.808 6.577 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000004762596 194396293 /nfs/dbraw/zinc/39/62/93/194396293.db2.gz PIMMQBJFTSQWFM-ADCSMLMYSA-N 0 0 499.607 5.452 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1cccc(Cl)c1 ZINC000004764140 194396702 /nfs/dbraw/zinc/39/67/02/194396702.db2.gz ZFVQNKGLXSUZHH-PNDGYVOYSA-N 0 0 486.008 5.219 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000006077143 194411739 /nfs/dbraw/zinc/41/17/39/194411739.db2.gz HBHNGWQCEHHOPY-PMERELPUSA-N 0 0 460.577 7.123 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C)cc3)c2C#N)cc1 ZINC000006245204 194421985 /nfs/dbraw/zinc/42/19/85/194421985.db2.gz DDLVYUXIGRVBJE-HXUWFJFHSA-N 0 0 479.605 6.724 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)cc1 ZINC000006442306 194426232 /nfs/dbraw/zinc/42/62/32/194426232.db2.gz IBGNEAAMYKIJDG-UHFFFAOYSA-N 0 0 465.578 6.335 40 30 JKEBRN C=CCN1c2ccccc2/C(=C2/S/C(=N\c3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)C1=O ZINC000008452601 194451735 /nfs/dbraw/zinc/45/17/35/194451735.db2.gz KLDMLKPZITUHGU-XETYWNITSA-N 0 0 493.632 6.632 40 30 JKEBRN CCOP(=O)(OCC)[C@H](Cc1ccc(OC)c(OC)c1)N=C(c1ccccc1)c1ccccc1 ZINC000008665454 194473303 /nfs/dbraw/zinc/47/33/03/194473303.db2.gz BNLONRUWFBDFIE-AREMUKBSSA-N 0 0 481.529 6.376 40 30 JKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000012617005 195055493 /nfs/dbraw/zinc/05/54/93/195055493.db2.gz TUVIQKTXNJAXQH-VFLNYLIXSA-N 0 0 484.409 5.991 40 30 JKEBRN Cc1cc(NN=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)nc2ccccc12 ZINC000012620829 195056873 /nfs/dbraw/zinc/05/68/73/195056873.db2.gz HHUIEXVCJNLHQK-RUMWWMSVSA-N 0 0 452.561 7.600 40 30 JKEBRN CC(C)(C)c1ccc(/C=N/OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 ZINC000012652525 195076810 /nfs/dbraw/zinc/07/68/10/195076810.db2.gz QKMWFYJRQJWDOC-JPJGIZCJSA-N 0 0 463.965 5.959 40 30 JKEBRN C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000012693360 195089425 /nfs/dbraw/zinc/08/94/25/195089425.db2.gz YYSAHNAEKYIWML-VFZVERKOSA-N 0 0 499.621 5.559 40 30 JKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)N1 ZINC000012716840 195097422 /nfs/dbraw/zinc/09/74/22/195097422.db2.gz QAGHOIQQMFDPDB-AMGIVPHBSA-N 0 0 464.631 5.887 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000020761376 195217875 /nfs/dbraw/zinc/21/78/75/195217875.db2.gz JXJDONXHFQIROU-DHRITJCHSA-N 0 0 459.771 5.814 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000020761386 195217946 /nfs/dbraw/zinc/21/79/46/195217946.db2.gz AJIDFOJPUPYQOV-RPPGKUMJSA-N 0 0 494.216 6.467 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000020763235 195219100 /nfs/dbraw/zinc/21/91/00/195219100.db2.gz MONQODHOVJZASM-VULFUBBASA-N 0 0 469.925 5.358 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000020763245 195219304 /nfs/dbraw/zinc/21/93/04/195219304.db2.gz OMZQMNUOWPUGAM-MZJWZYIUSA-N 0 0 459.373 6.103 40 30 JKEBRN O=C1c2ccccc2C(=NS(=O)(=O)c2ccccc2)C=C1Nc1cc(Cl)ccc1Cl ZINC000057608283 195353342 /nfs/dbraw/zinc/35/33/42/195353342.db2.gz MDAOHNFOIRNJJZ-XHPQRKPJSA-N 0 0 457.338 5.364 40 30 JKEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000058865462 195385521 /nfs/dbraw/zinc/38/55/21/195385521.db2.gz TVAGYESEYDLKRJ-RAWKODRKSA-N 0 0 499.639 5.459 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc32)cc1 ZINC000058871768 195386020 /nfs/dbraw/zinc/38/60/20/195386020.db2.gz GMXHEWIRKHQGDX-OKCVXOCRSA-N 0 0 499.975 7.464 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000059102817 195387495 /nfs/dbraw/zinc/38/74/95/195387495.db2.gz SGUGBRCQTQUDQU-HHHXNRCGSA-N 0 0 495.635 7.334 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000059102920 195387738 /nfs/dbraw/zinc/38/77/38/195387738.db2.gz VEWZYYVYCQGFFG-VWLOTQADSA-N 0 0 483.674 7.256 40 30 JKEBRN Cc1c(Br)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000059104442 195388007 /nfs/dbraw/zinc/38/80/07/195388007.db2.gz MWRZLLUDUSVZPM-SRZZPIQSSA-N 0 0 458.272 5.119 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000059104580 195388065 /nfs/dbraw/zinc/38/80/65/195388065.db2.gz 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CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000059105773 195388797 /nfs/dbraw/zinc/38/87/97/195388797.db2.gz JVNFZFBZZWAFEW-OEAKJJBVSA-N 0 0 466.509 5.834 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 ZINC000059105768 195388806 /nfs/dbraw/zinc/38/88/06/195388806.db2.gz MFNQOSVZAMHQBS-HMAPJEAMSA-N 0 0 463.534 5.302 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059105692 195388815 /nfs/dbraw/zinc/38/88/15/195388815.db2.gz GSYQJIYVNDXZQX-OEAKJJBVSA-N 0 0 493.516 5.603 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000059106025 195389019 /nfs/dbraw/zinc/38/90/19/195389019.db2.gz RKNYMCCHOMSARB-FSJBWODESA-N 0 0 496.394 7.027 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137125 195391654 /nfs/dbraw/zinc/39/16/54/195391654.db2.gz KVNFGWWUVQVGOV-JMIUGGIZSA-N 0 0 460.361 6.432 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000059137873 195392007 /nfs/dbraw/zinc/39/20/07/195392007.db2.gz VYMCXAZKIBKKHE-CFFWXSDVSA-N 0 0 482.630 7.543 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000059145796 195393086 /nfs/dbraw/zinc/39/30/86/195393086.db2.gz SIDHCWGKJRZYGQ-NHDPSOOVSA-N 0 0 489.811 7.117 40 30 JKEBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1 ZINC000059179620 195393547 /nfs/dbraw/zinc/39/35/47/195393547.db2.gz NLFUFIVFFMRTES-UHFFFAOYSA-N 0 0 482.631 5.623 40 30 JKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1ccc(F)cc1 ZINC000059193688 195393969 /nfs/dbraw/zinc/39/39/69/195393969.db2.gz WJVGCICTGMHGTR-KKMKTNMSSA-N 0 0 486.355 6.921 40 30 JKEBRN CC(C)(C)c1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000059193611 195393972 /nfs/dbraw/zinc/39/39/72/195393972.db2.gz YJUNSIYYVMNMRP-OGLMXYFKSA-N 0 0 455.583 6.773 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059193634 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OTZWNSXGXZGSLY-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1C ZINC000059223848 195395193 /nfs/dbraw/zinc/39/51/93/195395193.db2.gz WIEGJWMZQUCOSM-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)S1 ZINC000059224198 195395229 /nfs/dbraw/zinc/39/52/29/195395229.db2.gz JYYNKFFKRWZLJY-YSMPRRRNSA-N 0 0 485.008 7.272 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc(Br)c1O ZINC000059224353 195395375 /nfs/dbraw/zinc/39/53/75/195395375.db2.gz GCYBFRAWYPRQHS-PXNMLYILSA-N 0 0 467.772 5.407 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc(Br)c1O ZINC000059224270 195395401 /nfs/dbraw/zinc/39/54/01/195395401.db2.gz NOZNXNHTTJJXNI-CHHVJCJISA-N 0 0 453.745 5.017 40 30 JKEBRN CC(C)(C)c1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(C(C)(C)C)c1O ZINC000059245895 195395513 /nfs/dbraw/zinc/39/55/13/195395513.db2.gz PVIISRCUNGXWNR-FDAWAROLSA-N 0 0 488.697 7.930 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(Sc3nc4ccccc4[nH]3)o1)CCCC2 ZINC000059245893 195395626 /nfs/dbraw/zinc/39/56/26/195395626.db2.gz BPXNWSXFDCANJD-LQKURTRISA-N 0 0 498.633 7.250 40 30 JKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000059248554 195395876 /nfs/dbraw/zinc/39/58/76/195395876.db2.gz LWAXSTTUAKLPBD-WQRHYEAKSA-N 0 0 493.213 6.438 40 30 JKEBRN Brc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)oc1N1CCOCC1 ZINC000059248310 195395897 /nfs/dbraw/zinc/39/58/97/195395897.db2.gz NHFXEOIDWVQVPK-JVWAILMASA-N 0 0 469.423 6.097 40 30 JKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059248815 195395925 /nfs/dbraw/zinc/39/59/25/195395925.db2.gz UDAFJQJGGMNIMH-MNBJERMJSA-N 0 0 481.665 7.654 40 30 JKEBRN C=CCc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(OCC)c1O ZINC000059249391 195396055 /nfs/dbraw/zinc/39/60/55/195396055.db2.gz XYDCKKVFLKXBLB-UHFFFAOYSA-N 0 0 484.577 5.268 40 30 JKEBRN O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1cc(Br)c(N2CCCC2)o1 ZINC000059248874 195396102 /nfs/dbraw/zinc/39/61/02/195396102.db2.gz OTDXLEYVMYSLRR-GDNBJRDFSA-N 0 0 497.212 5.296 40 30 JKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059248972 195396144 /nfs/dbraw/zinc/39/61/44/195396144.db2.gz VURVAUGXKBETGV-KBVAKVRCSA-N 0 0 485.628 7.485 40 30 JKEBRN CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(C)=O ZINC000059278792 195396701 /nfs/dbraw/zinc/39/67/01/195396701.db2.gz YUNSMEPCTRVPTN-UHFFFAOYSA-N 0 0 487.947 5.835 40 30 JKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059302619 195397286 /nfs/dbraw/zinc/39/72/86/195397286.db2.gz SXEPJYLAEXJQII-VTNSRFBWSA-N 0 0 499.655 7.793 40 30 JKEBRN O=S(=O)(Oc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000059387392 195398548 /nfs/dbraw/zinc/39/85/48/195398548.db2.gz YMJZYBJRPYWSJV-ZVHZXABRSA-N 0 0 469.975 5.677 40 30 JKEBRN CCOc1ccccc1/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000059427595 195401575 /nfs/dbraw/zinc/40/15/75/195401575.db2.gz DPKXOVJGCKGACS-JDCMOKTRSA-N 0 0 487.559 7.869 40 30 JKEBRN C=CCOc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000059435451 195401966 /nfs/dbraw/zinc/40/19/66/195401966.db2.gz VPHBAKSBMZJVSA-UPJRRAFRSA-N 0 0 467.569 5.193 40 30 JKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1ccccc1Cl ZINC000059433744 195402063 /nfs/dbraw/zinc/40/20/63/195402063.db2.gz PDVXUMDKLNDQOB-CCVNUDIWSA-N 0 0 464.953 5.485 40 30 JKEBRN COc1cc(C(=O)ON=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000059461442 195403324 /nfs/dbraw/zinc/40/33/24/195403324.db2.gz DSOLIFMDZFYZHT-UHFFFAOYSA-N 0 0 460.313 5.629 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463792 195403459 /nfs/dbraw/zinc/40/34/59/195403459.db2.gz ILTSQNZTOHKACN-AFUMVMLFSA-N 0 0 458.499 6.661 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463763 195403597 /nfs/dbraw/zinc/40/35/97/195403597.db2.gz CEPXLHHIUSPIEZ-ZVHZXABRSA-N 0 0 460.471 6.053 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474813 195403984 /nfs/dbraw/zinc/40/39/84/195403984.db2.gz KDHSPQZERFTPAF-WYMPLXKRSA-N 0 0 466.519 5.825 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1)NC[C@H]1CCCO1 ZINC000059474850 195404222 /nfs/dbraw/zinc/40/42/22/195404222.db2.gz NSINNWUQTQRKCG-VXHUXDJESA-N 0 0 480.442 5.741 40 30 JKEBRN CCOc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1OCC ZINC000059474872 195404269 /nfs/dbraw/zinc/40/42/69/195404269.db2.gz LOAHQEDVAODKCX-GZZLJNBRSA-N 0 0 487.603 7.754 40 30 JKEBRN CCCOc1c(Br)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC ZINC000059484745 195405834 /nfs/dbraw/zinc/40/58/34/195405834.db2.gz BSUNSCIATQNUOH-MFKUBSTISA-N 0 0 472.383 5.185 40 30 JKEBRN Cc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(C)n1-c1ccccc1 ZINC000059514419 195408557 /nfs/dbraw/zinc/40/85/57/195408557.db2.gz QEFMIWMHHASFEK-TURZUDJPSA-N 0 0 466.593 5.459 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2cccc3ccccc32)c(OCC)c1 ZINC000059536697 195409327 /nfs/dbraw/zinc/40/93/27/195409327.db2.gz RZGKXZXGEINVBJ-VULFUBBASA-N 0 0 486.435 5.398 40 30 JKEBRN N#Cc1c2c(sc1/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)CCCC2 ZINC000059596767 195410696 /nfs/dbraw/zinc/41/06/96/195410696.db2.gz DQPSMAIDKNMERN-KVSWJAHQSA-N 0 0 459.373 7.274 40 30 JKEBRN C=CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2cccc(Br)c2)=N1 ZINC000062750986 195430932 /nfs/dbraw/zinc/43/09/32/195430932.db2.gz UPHPMERDRLCZHD-UHFFFAOYSA-N 0 0 493.814 5.024 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000106680888 195456866 /nfs/dbraw/zinc/45/68/66/195456866.db2.gz HFGQTWGYXFBZKF-ITYLOYPMSA-N 0 0 485.605 6.629 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(OC)c1O ZINC000106723482 195460397 /nfs/dbraw/zinc/46/03/97/195460397.db2.gz FQAOBSHISUBWAV-WQRHYEAKSA-N 0 0 460.349 5.128 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408853192 195495270 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/nfs/dbraw/zinc/02/13/44/554021344.db2.gz ZUFJOXABNUXPKC-HXNPFYCNSA-N 0 0 467.506 6.663 40 30 JKEBRN COc1ccc(/N=C2\S/C(=C/c3sccc3C)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000002141666 554064133 /nfs/dbraw/zinc/06/41/33/554064133.db2.gz DRJYZAGYFMXVFK-YNTCVYINSA-N 0 0 473.623 6.393 40 30 JKEBRN C=CCn1c(=O)c2c(nc1SCC(=O)c1cccc(Br)c1)sc1c2CCCC1 ZINC000002264084 554123719 /nfs/dbraw/zinc/12/37/19/554123719.db2.gz LXWXEQWLHSRYEB-UHFFFAOYSA-N 0 0 475.433 5.260 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccncc1 ZINC000002438314 554208669 /nfs/dbraw/zinc/20/86/69/554208669.db2.gz VWMQJWSCZKOACM-UHFFFAOYSA-N 0 0 471.542 5.165 40 30 JKEBRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000002685172 554282645 /nfs/dbraw/zinc/28/26/45/554282645.db2.gz CPUQLKTUNIOLQB-UHFFFAOYSA-N 0 0 488.406 6.208 40 30 JKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2Cl)C1=S ZINC000002728889 554313831 /nfs/dbraw/zinc/31/38/31/554313831.db2.gz DWCGQJBKPKVHCE-LJQANCHMSA-N 0 0 496.847 5.202 40 30 JKEBRN C#CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2c2cccc(OCC)c2)c1 ZINC000002745376 554323498 /nfs/dbraw/zinc/32/34/98/554323498.db2.gz BEXQTKMTHRFUQS-XMMPIXPASA-N 0 0 477.358 5.631 40 30 JKEBRN C#CCOc1cc(Br)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC ZINC000002784318 554343520 /nfs/dbraw/zinc/34/35/20/554343520.db2.gz SQOWLLAYJLOBFV-SFHVURJKSA-N 0 0 450.332 5.487 40 30 JKEBRN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F ZINC000002799863 554352780 /nfs/dbraw/zinc/35/27/80/554352780.db2.gz NPOJPXBAPAJGJE-UHFFFAOYSA-N 0 0 475.389 6.051 40 30 JKEBRN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1CN1CCSCC1 ZINC000002807088 554357496 /nfs/dbraw/zinc/35/74/96/554357496.db2.gz XSQQSVRVJYVHNF-UHFFFAOYSA-N 0 0 495.685 5.644 40 30 JKEBRN COc1cc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc(OC)c1OC ZINC000003201826 554430287 /nfs/dbraw/zinc/43/02/87/554430287.db2.gz GFVJBXDKAZTPBQ-JVWAILMASA-N 0 0 476.469 5.941 40 30 JKEBRN CC(=CC(=O)Nc1ccc(Cc2ccc(Cl)cc2)cc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004991215 554484684 /nfs/dbraw/zinc/48/46/84/554484684.db2.gz GAGMGSZYOZDWCO-YSMPRRRNSA-N 0 0 481.896 5.564 40 30 JKEBRN N#CCCS[C@@H]1SC(=C2SC3=C(S2)SCCS3)S[C@@H]1SCCC#N ZINC000005542354 554491935 /nfs/dbraw/zinc/49/19/35/554491935.db2.gz YUKLHGXOMTYTBG-AOOOYVTPSA-N 0 0 466.816 6.626 40 30 JKEBRN N#CCCS[C@@H]1SC(=C2SC3=C(S2)SCCS3)S[C@H]1SCCC#N ZINC000005542357 554492007 /nfs/dbraw/zinc/49/20/07/554492007.db2.gz YUKLHGXOMTYTBG-NXEZZACHSA-N 0 0 466.816 6.626 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000006015229 554499718 /nfs/dbraw/zinc/49/97/18/554499718.db2.gz AESNTBXXXGZPSO-RUZDIDTESA-N 0 0 493.534 5.983 40 30 JKEBRN CC(C)(C)c1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000006075318 554502286 /nfs/dbraw/zinc/50/22/86/554502286.db2.gz BCQBMPNBRPQZIC-UHFFFAOYSA-N 0 0 462.618 7.560 40 30 JKEBRN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000006077298 554502783 /nfs/dbraw/zinc/50/27/83/554502783.db2.gz QKXVGKOVOJTCIG-UPCLLVRISA-N 0 0 459.933 5.328 40 30 JKEBRN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)cc2c1 ZINC000006134244 554506163 /nfs/dbraw/zinc/50/61/63/554506163.db2.gz QPTIFKXSCZZVSG-UHFFFAOYSA-N 0 0 465.884 5.908 40 30 JKEBRN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Oc3ccc(CC)cc3)n2)cc1 ZINC000006134922 554506769 /nfs/dbraw/zinc/50/67/69/554506769.db2.gz GJCLNFZYAPVOOT-UHFFFAOYSA-N 0 0 494.616 6.946 40 30 JKEBRN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N ZINC000006135441 554507272 /nfs/dbraw/zinc/50/72/72/554507272.db2.gz KSFKTYWZEGHFQO-UHFFFAOYSA-N 0 0 484.024 7.234 40 30 JKEBRN COC1=CC(=[NH+][N-]c2cccc(Cl)c2)C=C(C=Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000006136326 554508198 /nfs/dbraw/zinc/50/81/98/554508198.db2.gz DCMAGQFODURNLS-JLAZDCSASA-N 0 0 450.926 6.057 40 30 JKEBRN C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006177195 554514647 /nfs/dbraw/zinc/51/46/47/554514647.db2.gz XAPSEPJQXRKDRM-SFHVURJKSA-N 0 0 480.549 6.315 40 30 JKEBRN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006177424 554515024 /nfs/dbraw/zinc/51/50/24/554515024.db2.gz XAPSEPJQXRKDRM-GOSISDBHSA-N 0 0 480.549 6.315 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000006194258 554517931 /nfs/dbraw/zinc/51/79/31/554517931.db2.gz FIVWGEKVPILKAU-UHFFFAOYSA-N 0 0 480.549 6.235 40 30 JKEBRN CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000006196440 554518617 /nfs/dbraw/zinc/51/86/17/554518617.db2.gz VLXMTZFKOPAZBF-MUAVYFROSA-N 0 0 485.624 6.323 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000006245172 554521452 /nfs/dbraw/zinc/52/14/52/554521452.db2.gz ITMCIHIPPDJTCS-UHFFFAOYSA-N 0 0 469.997 6.980 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000006245943 554522267 /nfs/dbraw/zinc/52/22/67/554522267.db2.gz OBZNVDIMMYQUTO-UHFFFAOYSA-N 0 0 480.549 6.235 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000006245881 554522270 /nfs/dbraw/zinc/52/22/70/554522270.db2.gz SKMWUYZCLWAJCK-UHFFFAOYSA-N 0 0 487.987 7.119 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000006245891 554522309 /nfs/dbraw/zinc/52/23/09/554522309.db2.gz GLGYAQJQCZGDQN-UHFFFAOYSA-N 0 0 480.549 6.235 40 30 JKEBRN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006246207 554522520 /nfs/dbraw/zinc/52/25/20/554522520.db2.gz JAFYOZOUBRWVSI-HXUWFJFHSA-N 0 0 498.051 7.677 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000006246169 554522529 /nfs/dbraw/zinc/52/25/29/554522529.db2.gz JZGOPACOBSCKLW-IBGZPJMESA-N 0 0 494.576 6.623 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccccc3C)n2)cc1 ZINC000006246248 554522545 /nfs/dbraw/zinc/52/25/45/554522545.db2.gz VDVAPBXRPHLUMN-OAQYLSRUSA-N 0 0 463.606 7.023 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3C)c2C#N)cc1 ZINC000006246529 554522964 /nfs/dbraw/zinc/52/29/64/554522964.db2.gz ZGYRIUOQSTZEDH-UHFFFAOYSA-N 0 0 467.569 6.774 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2C#N)cc1 ZINC000006246530 554523008 /nfs/dbraw/zinc/52/30/08/554523008.db2.gz XFLVXWWKFBEFQM-UHFFFAOYSA-N 0 0 480.549 6.235 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000006280391 554524494 /nfs/dbraw/zinc/52/44/94/554524494.db2.gz IWZVURPPUQOZGH-UHFFFAOYSA-N 0 0 479.605 6.644 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccc(Br)cc2)nc1 ZINC000006280946 554525036 /nfs/dbraw/zinc/52/50/36/554525036.db2.gz VZCRFAARRUSFBF-JLCFBVMHSA-N 0 0 466.379 5.005 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006406782 554533691 /nfs/dbraw/zinc/53/36/91/554533691.db2.gz KDDIIWGMQOXPBG-JOCHJYFZSA-N 0 0 470.506 5.116 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cccs2)n1 ZINC000006443303 554537477 /nfs/dbraw/zinc/53/74/77/554537477.db2.gz QPQBKTJRVDDERQ-GYCJOSAFSA-N 0 0 461.612 5.513 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccccc3C)n2)cc1 ZINC000006444138 554538316 /nfs/dbraw/zinc/53/83/16/554538316.db2.gz AXCLKPCFIVDWLM-FQEVSTJZSA-N 0 0 479.605 6.724 40 30 JKEBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1-c1ccccc1 ZINC000006444224 554538627 /nfs/dbraw/zinc/53/86/27/554538627.db2.gz VFIJDUSBFGOXTO-UHFFFAOYSA-N 0 0 485.638 5.786 40 30 JKEBRN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)c1ccccc1 ZINC000006446008 554540250 /nfs/dbraw/zinc/54/02/50/554540250.db2.gz OGFSKEHJEYAQCI-UHFFFAOYSA-N 0 0 475.400 7.569 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000006446422 554540751 /nfs/dbraw/zinc/54/07/51/554540751.db2.gz YVICCNKTZRYYPY-JOCHJYFZSA-N 0 0 462.889 5.069 40 30 JKEBRN O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000006446833 554540996 /nfs/dbraw/zinc/54/09/96/554540996.db2.gz OSUYQHMCYSQOMX-VULFUBBASA-N 0 0 470.330 5.347 40 30 JKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006474334 554544100 /nfs/dbraw/zinc/54/41/00/554544100.db2.gz NCMABYBJIGHCDM-UHFFFAOYSA-N 0 0 466.522 5.926 40 30 JKEBRN CCN(CC)c1nc(N=NCc2ccccc2C(F)(F)F)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000006512266 554548593 /nfs/dbraw/zinc/54/85/93/554548593.db2.gz ODUWJOKNUADYHP-UVHMKAGCSA-N 0 0 477.922 5.888 40 30 JKEBRN CCc1c(C)sc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1C#N ZINC000006821858 554558512 /nfs/dbraw/zinc/55/85/12/554558512.db2.gz QUPRYPCMQCZSJO-UHFFFAOYSA-N 0 0 468.551 5.759 40 30 JKEBRN COc1ccc(-c2nsc3c2ncnc3SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000007060097 554563595 /nfs/dbraw/zinc/56/35/95/554563595.db2.gz CCCQTRCGNUBTMY-UHFFFAOYSA-N 0 0 493.639 5.305 40 30 JKEBRN O=C1/C(=C/c2ccccc2)CC[C@@]12C[C@@H]1CCC[C@H](C3=CCCCC3)[C@]1(O)O[C@@H]2c1ccccc1 ZINC000008740185 554642033 /nfs/dbraw/zinc/64/20/33/554642033.db2.gz XZZPIAIYKCQMDS-OIMSYKQNSA-N 0 0 468.637 7.186 40 30 JKEBRN CCOc1ccc(OCC)c([C@@H]2[C@@H](Cc3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000008781169 554678207 /nfs/dbraw/zinc/67/82/07/554678207.db2.gz SLWBRDIYALSMGX-MJLPRTPSSA-N 0 0 475.592 6.128 40 30 JKEBRN CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCC2 ZINC000008781337 554678449 /nfs/dbraw/zinc/67/84/49/554678449.db2.gz JFCDACJSFWLNJS-UHFFFAOYSA-N 0 0 498.420 5.659 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000008789596 554682136 /nfs/dbraw/zinc/68/21/36/554682136.db2.gz XUDTWJGGQFHXCR-YHNZLWFKSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OCc1ccccc1 ZINC000008811402 554692521 /nfs/dbraw/zinc/69/25/21/554692521.db2.gz BSHRRUGZMPPOSB-VULFUBBASA-N 0 0 473.798 6.204 40 30 JKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008811620 554692759 /nfs/dbraw/zinc/69/27/59/554692759.db2.gz XBMTXXJEALNFEF-STBIYBPSSA-N 0 0 458.949 6.446 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000008811967 554692936 /nfs/dbraw/zinc/69/29/36/554692936.db2.gz ABFCBJJWMRBLNB-CCVNUDIWSA-N 0 0 498.808 6.076 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000008811924 554692950 /nfs/dbraw/zinc/69/29/50/554692950.db2.gz FDUKMHHZTAMGAT-KVSWJAHQSA-N 0 0 498.237 7.402 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000008811921 554692954 /nfs/dbraw/zinc/69/29/54/554692954.db2.gz JHOTYEUOZWECGJ-OKCVXOCRSA-N 0 0 479.407 7.248 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(Br)cc4)NC3=O)cc2)cc1 ZINC000008820763 554707674 /nfs/dbraw/zinc/70/76/74/554707674.db2.gz WQONHNSILGPYRP-HMAPJEAMSA-N 0 0 479.399 6.228 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820828 554707928 /nfs/dbraw/zinc/70/79/28/554707928.db2.gz CUDJQOAGPUBDEK-NDENLUEZSA-N 0 0 489.811 7.117 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1 ZINC000008820782 554707930 /nfs/dbraw/zinc/70/79/30/554707930.db2.gz AQSFHSVWAIBGQD-HMAPJEAMSA-N 0 0 450.947 5.819 40 30 JKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008820802 554707934 /nfs/dbraw/zinc/70/79/34/554707934.db2.gz VDBOBNLEYLKCAW-XYGWBWBKSA-N 0 0 470.981 6.964 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820846 554708131 /nfs/dbraw/zinc/70/81/31/554708131.db2.gz KTMKCNYSQMJODD-OYKKKHCWSA-N 0 0 479.001 6.436 40 30 JKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820948 554708220 /nfs/dbraw/zinc/70/82/20/554708220.db2.gz RHCRVOGTWZBECZ-WOJGMQOQSA-N 0 0 459.752 6.254 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820912 554708224 /nfs/dbraw/zinc/70/82/24/554708224.db2.gz HBWJJHXHLLQZBT-MYYYXRDXSA-N 0 0 493.028 6.826 40 30 JKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000008820998 554708228 /nfs/dbraw/zinc/70/82/28/554708228.db2.gz PNEAWAARJMDXME-UDWIEESQSA-N 0 0 459.354 6.544 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820911 554708265 /nfs/dbraw/zinc/70/82/65/554708265.db2.gz KKRCIJBLKWBFKS-MYYYXRDXSA-N 0 0 493.028 6.826 40 30 JKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000008820999 554708301 /nfs/dbraw/zinc/70/83/01/554708301.db2.gz JOVPTVFVODNQEQ-UDWIEESQSA-N 0 0 459.354 6.544 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820919 554708307 /nfs/dbraw/zinc/70/83/07/554708307.db2.gz YNNULLATLKXCIH-UCQKPKSFSA-N 0 0 499.419 6.863 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820913 554708310 /nfs/dbraw/zinc/70/83/10/554708310.db2.gz BPZDGHOWNUZXBY-MYYYXRDXSA-N 0 0 493.028 6.826 40 30 JKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000008821027 554708549 /nfs/dbraw/zinc/70/85/49/554708549.db2.gz IFLLMAPLFVPNDN-DEDYPNTBSA-N 0 0 469.360 5.999 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1C ZINC000008821032 554708552 /nfs/dbraw/zinc/70/85/52/554708552.db2.gz HHMIFMIBXIFQGX-UDWIEESQSA-N 0 0 453.361 6.218 40 30 JKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821120 554708724 /nfs/dbraw/zinc/70/87/24/554708724.db2.gz YDKXVQNHMZXLLR-VCHYOVAHSA-N 0 0 493.850 6.419 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c(OC)c1 ZINC000008821228 554708730 /nfs/dbraw/zinc/70/87/30/554708730.db2.gz OYAQHOCQMDOYKE-YBFXNURJSA-N 0 0 475.353 6.162 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc(OC)c1OC ZINC000008821181 554708742 /nfs/dbraw/zinc/70/87/42/554708742.db2.gz YXKNQUKXSHWWIS-PXNMLYILSA-N 0 0 472.872 5.276 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc(Br)c1 ZINC000008821158 554708743 /nfs/dbraw/zinc/70/87/43/554708743.db2.gz BAQJZLUVZSLEQV-AUWJEWJLSA-N 0 0 461.690 6.013 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821119 554708755 /nfs/dbraw/zinc/70/87/55/554708755.db2.gz CZCBALUQONWMSM-VCHYOVAHSA-N 0 0 493.850 6.419 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821233 554708969 /nfs/dbraw/zinc/70/89/69/554708969.db2.gz PQHCEVWGBFTHKN-CXUHLZMHSA-N 0 0 484.191 7.452 40 30 JKEBRN CCCC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1CCCC ZINC000008821664 554710241 /nfs/dbraw/zinc/71/02/41/554710241.db2.gz HUHXDXFBJVTAJU-NMRWETQTSA-N 0 0 487.065 6.800 40 30 JKEBRN CCCC/N=C1\S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CCCC ZINC000008821660 554710242 /nfs/dbraw/zinc/71/02/42/554710242.db2.gz FFQNWTUJYDPHCN-LSDFYIEESA-N 0 0 457.039 6.792 40 30 JKEBRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000008831568 554722723 /nfs/dbraw/zinc/72/27/23/554722723.db2.gz DWHXLGKPBMKGEY-MRXNPFEDSA-N 0 0 455.649 5.685 40 30 JKEBRN CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000008831567 554722752 /nfs/dbraw/zinc/72/27/52/554722752.db2.gz VERCDXIJYOKHEV-INIZCTEOSA-N 0 0 455.649 5.686 40 30 JKEBRN CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000008831566 554722764 /nfs/dbraw/zinc/72/27/64/554722764.db2.gz VERCDXIJYOKHEV-MRXNPFEDSA-N 0 0 455.649 5.686 40 30 JKEBRN CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000008831574 554722967 /nfs/dbraw/zinc/72/29/67/554722967.db2.gz BXJCHZKFIYNINX-QGZVFWFLSA-N 0 0 469.676 5.932 40 30 JKEBRN CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000008831575 554722980 /nfs/dbraw/zinc/72/29/80/554722980.db2.gz BXJCHZKFIYNINX-KRWDZBQOSA-N 0 0 469.676 5.932 40 30 JKEBRN COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000008832416 554726525 /nfs/dbraw/zinc/72/65/25/554726525.db2.gz DUJZKMHLYKCXAJ-UHFFFAOYSA-N 0 0 470.186 5.284 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2C1 ZINC000008832419 554726549 /nfs/dbraw/zinc/72/65/49/554726549.db2.gz UOVZNGLBUPOYCR-WXJAXGNASA-N 0 0 457.382 6.963 40 30 JKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000008832427 554726581 /nfs/dbraw/zinc/72/65/81/554726581.db2.gz FLJVDWAHALAHNK-CQSZACIVSA-N 0 0 461.425 6.184 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000008832424 554726584 /nfs/dbraw/zinc/72/65/84/554726584.db2.gz PRSDEBMAYROYFY-ZDUSSCGKSA-N 0 0 473.425 7.590 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1 ZINC000008832422 554726614 /nfs/dbraw/zinc/72/66/14/554726614.db2.gz OSZBXIPWTBYGPI-AWEZNQCLSA-N 0 0 467.432 6.939 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2C1 ZINC000008832433 554726785 /nfs/dbraw/zinc/72/67/85/554726785.db2.gz PPKJZPNUMDQFCL-CQSZACIVSA-N 0 0 473.425 7.590 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)cc2)c1 ZINC000008853981 554749794 /nfs/dbraw/zinc/74/97/94/554749794.db2.gz ZYGIFDINWHGYJR-MGGFISDMSA-N 0 0 482.649 7.511 40 30 JKEBRN COc1ccc(Nc2nc(N=NC(C)c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000008872774 554769550 /nfs/dbraw/zinc/76/95/50/554769550.db2.gz JSAXWOWDIFTVRD-WCMJOSRZSA-N 0 0 459.941 5.857 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000008896367 554786099 /nfs/dbraw/zinc/78/60/99/554786099.db2.gz KQAZPBAHWGTQIY-ZDUSSCGKSA-N 0 0 476.465 5.660 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000008896411 554786107 /nfs/dbraw/zinc/78/61/07/554786107.db2.gz VOVULGORPXFVRW-HXUWFJFHSA-N 0 0 487.694 6.416 40 30 JKEBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008896406 554786114 /nfs/dbraw/zinc/78/61/14/554786114.db2.gz WMSLSOLADVKPEM-KRWDZBQOSA-N 0 0 477.655 6.059 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000008896421 554786121 /nfs/dbraw/zinc/78/61/21/554786121.db2.gz BWRQXVVTRBQWPT-HXUWFJFHSA-N 0 0 473.667 6.565 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000008901336 554794339 /nfs/dbraw/zinc/79/43/39/554794339.db2.gz QDOPGKBMDXBARG-USYSOWRXSA-N 0 0 499.463 7.989 40 30 JKEBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1Cl ZINC000008901359 554794650 /nfs/dbraw/zinc/79/46/50/554794650.db2.gz GFRXFNMLLZQUTG-ZDUSSCGKSA-N 0 0 499.891 7.365 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1 ZINC000008901342 554794658 /nfs/dbraw/zinc/79/46/58/554794658.db2.gz ZMRABPOYIHHUOA-FQEVSTJZSA-N 0 0 482.605 6.796 40 30 JKEBRN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000009010278 554863826 /nfs/dbraw/zinc/86/38/26/554863826.db2.gz SJEZHDIDQWRWJA-UHFFFAOYSA-N 0 0 493.632 6.898 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000009033901 554868101 /nfs/dbraw/zinc/86/81/01/554868101.db2.gz XNZIMRUZBOZIBC-SGESODIWSA-N 0 0 470.738 7.178 40 30 biogenic JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 ZINC000009145680 554937127 /nfs/dbraw/zinc/93/71/27/554937127.db2.gz AGDIWABUIFDWAE-UHFFFAOYSA-N 0 0 455.208 6.493 40 30 JKEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1I ZINC000009323332 555096544 /nfs/dbraw/zinc/09/65/44/555096544.db2.gz BFDRCALNASVRTN-LICLKQGHSA-N 0 0 498.773 5.543 40 30 JKEBRN N#Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009570944 555368651 /nfs/dbraw/zinc/36/86/51/555368651.db2.gz SZDQBJPCGNQNES-UHFFFAOYSA-N 0 0 459.962 5.114 40 30 JKEBRN Cc1ccc(-c2nnc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)c3ccccc32)cc1C ZINC000013303776 555374104 /nfs/dbraw/zinc/37/41/04/555374104.db2.gz JZBVLVUUERATAA-FMFFXOCNSA-N 0 0 494.602 7.212 40 30 JKEBRN CCNc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccccc1 ZINC000013306189 555374941 /nfs/dbraw/zinc/37/49/41/555374941.db2.gz NOJXMUAPGIGHNG-YXDHUCFLSA-N 0 0 483.622 6.169 40 30 JKEBRN O=C1N/C(=N\N=C\c2cccc(Oc3ccccc3)c2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000013305964 555374976 /nfs/dbraw/zinc/37/49/76/555374976.db2.gz NGCVZYXZHKUIRI-VJWWNUEDSA-N 0 0 483.565 5.958 40 30 JKEBRN O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000013305872 555375027 /nfs/dbraw/zinc/37/50/27/555375027.db2.gz QZVNLJRTCSJOES-NCELDCMTSA-N 0 0 461.146 5.601 40 30 JKEBRN Cc1ccc(C)c(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 ZINC000013306292 555375427 /nfs/dbraw/zinc/37/54/27/555375427.db2.gz JTRUZXHZPFBISZ-SCMILFJUSA-N 0 0 457.624 6.478 40 30 JKEBRN N#Cc1ccc(/C(Cl)=C\c2cccc(/C=C(\Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000013403177 555396364 /nfs/dbraw/zinc/39/63/64/555396364.db2.gz WXQHVDCMFLSUSK-CHQRTDLRSA-N 0 0 491.290 6.720 40 30 JKEBRN CCc1ccccc1/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000013511098 555482970 /nfs/dbraw/zinc/48/29/70/555482970.db2.gz LTUOZHPSRNMFKE-FLWNBWAVSA-N 0 0 481.621 6.938 40 30 JKEBRN CCOc1cc(Br)cc(C=NNC(=Nc2ccccc2C)c2ccccn2)c1O ZINC000013549341 555490752 /nfs/dbraw/zinc/49/07/52/555490752.db2.gz VMZIFZNZKOHYIM-AFUMVMLFSA-N 0 0 453.340 5.150 40 30 JKEBRN Cc1ccc(C)c(/N=C2/Sc3nc4c(ccc(C)c4C)cc3CN2CCN2CCOCC2)c1 ZINC000013562152 555496216 /nfs/dbraw/zinc/49/62/16/555496216.db2.gz LUVWBEFNEPFHQN-BYYHNAKLSA-N 0 0 460.647 5.396 40 30 JKEBRN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000013567196 555504227 /nfs/dbraw/zinc/50/42/27/555504227.db2.gz YFMPAMMGAVXWSJ-XDHUDOTRSA-N 0 0 459.933 5.328 40 30 JKEBRN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccco1)C2 ZINC000013567187 555504232 /nfs/dbraw/zinc/50/42/32/555504232.db2.gz ZLCITBUWGCURJY-WXTAPIANSA-N 0 0 469.541 5.074 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567805 555505498 /nfs/dbraw/zinc/50/54/98/555505498.db2.gz HQBKLISLDQCROJ-SFHVURJKSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1cccc([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567840 555505696 /nfs/dbraw/zinc/50/56/96/555505696.db2.gz URIDNOYBHIPLOB-QGZVFWFLSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567894 555505702 /nfs/dbraw/zinc/50/57/02/555505702.db2.gz ULGZVOSKBPZQMA-QGZVFWFLSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cccc([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567839 555505717 /nfs/dbraw/zinc/50/57/17/555505717.db2.gz URIDNOYBHIPLOB-KRWDZBQOSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)cc1OC ZINC000013567905 555505743 /nfs/dbraw/zinc/50/57/43/555505743.db2.gz ZBMOPXBNUWFGAU-KRWDZBQOSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567823 555505764 /nfs/dbraw/zinc/50/57/64/555505764.db2.gz SWFASERGKWOLFY-SFHVURJKSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1cc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013567962 555505891 /nfs/dbraw/zinc/50/58/91/555505891.db2.gz BTFOQKDIOQNERT-OAHLLOKOSA-N 0 0 459.901 5.033 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567932 555505927 /nfs/dbraw/zinc/50/59/27/555505927.db2.gz PMAJTELVECJMGN-QGZVFWFLSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1cc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000013568604 555506821 /nfs/dbraw/zinc/50/68/21/555506821.db2.gz QXAUUNMZTMCVMR-WZQKQDCOSA-N 0 0 462.571 5.753 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000019855695 555512964 /nfs/dbraw/zinc/51/29/64/555512964.db2.gz HOYGAMYNBHRPGJ-TURZUDJPSA-N 0 0 460.986 6.486 40 30 JKEBRN COc1ccc(OC)c(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000019855644 555512982 /nfs/dbraw/zinc/51/29/82/555512982.db2.gz BMFSLNPXYXQJNG-ZTKZIYFRSA-N 0 0 486.593 5.850 40 30 JKEBRN COc1ccccc1/C=N/c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019855691 555513004 /nfs/dbraw/zinc/51/30/04/555513004.db2.gz GIIFBVVCSGCRCH-VFCFBJKWSA-N 0 0 456.567 5.841 40 30 JKEBRN COc1cccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1O ZINC000019855734 555513361 /nfs/dbraw/zinc/51/33/61/555513361.db2.gz APJLCTQEVGDMMH-TURZUDJPSA-N 0 0 472.566 5.547 40 30 JKEBRN COc1cccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000019855726 555513397 /nfs/dbraw/zinc/51/33/97/555513397.db2.gz FOXYLTHRTZZKLJ-VFCFBJKWSA-N 0 0 456.567 5.841 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2cccc3ccccc23)cc1 ZINC000019855729 555513459 /nfs/dbraw/zinc/51/34/59/555513459.db2.gz GXVOGPGCXLXYHY-DFKUXCBWSA-N 0 0 476.601 6.986 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1cccs1)[C@H]2c1ccc(F)cc1 ZINC000019894278 555532167 /nfs/dbraw/zinc/53/21/67/555532167.db2.gz WHDTZRSRIKFZMM-DEOSSOPVSA-N 0 0 482.602 5.893 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(O)c1 ZINC000019894554 555532951 /nfs/dbraw/zinc/53/29/51/555532951.db2.gz POPXBUMFCJHSDO-DHRITJCHSA-N 0 0 465.918 6.504 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\N=C3/NC(=O)[C@@H](Cc4cccc(C(F)(F)F)c4)S3)o2)cc1 ZINC000013634324 555543939 /nfs/dbraw/zinc/54/39/39/555543939.db2.gz XDFJIOJMWNITIB-APEOTNBRSA-N 0 0 457.477 5.438 40 30 JKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000009879475 555562174 /nfs/dbraw/zinc/56/21/74/555562174.db2.gz CVZNTGKTBJRQTL-KKMKTNMSSA-N 0 0 454.184 7.003 40 30 JKEBRN C#CC(C)(C)NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000019945559 555563009 /nfs/dbraw/zinc/56/30/09/555563009.db2.gz GNMJXOFDAKYWFD-UHFFFAOYSA-N 0 0 481.017 5.186 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000009972932 555572914 /nfs/dbraw/zinc/57/29/14/555572914.db2.gz SJHGEUQYMBYTTD-UHFFFAOYSA-N 0 0 494.297 5.408 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc([C@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)cc2)cc1 ZINC000009975015 555580787 /nfs/dbraw/zinc/58/07/87/555580787.db2.gz FXPRRIVSLXBLMK-AREMUKBSSA-N 0 0 489.571 6.152 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(=O)c1ccccc1OC ZINC000010002431 555590394 /nfs/dbraw/zinc/59/03/94/555590394.db2.gz MQTJWJAOCNCDCJ-UHFFFAOYSA-N 0 0 488.536 5.441 40 30 JKEBRN Clc1ccc(CN/N=C/c2cccc(OCc3ccc(I)cc3)c2)cc1 ZINC000010119035 555629194 /nfs/dbraw/zinc/62/91/94/555629194.db2.gz BMXKWFVSXTYOKD-AFUMVMLFSA-N 0 0 476.745 5.647 40 30 JKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010118906 555629211 /nfs/dbraw/zinc/62/92/11/555629211.db2.gz KHCFPTDNHKMZAE-STBIYBPSSA-N 0 0 458.949 6.446 40 30 JKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000010118740 555629221 /nfs/dbraw/zinc/62/92/21/555629221.db2.gz KOCCGSRICUMOKI-VULFUBBASA-N 0 0 459.771 5.814 40 30 JKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000010118719 555629234 /nfs/dbraw/zinc/62/92/34/555629234.db2.gz ATVYJEPDRQHCLF-KKMKTNMSSA-N 0 0 498.635 7.112 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000010119100 555629506 /nfs/dbraw/zinc/62/95/06/555629506.db2.gz KWNYJXUJUUBEMR-VFLNYLIXSA-N 0 0 498.237 7.402 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000010119104 555629520 /nfs/dbraw/zinc/62/95/20/555629520.db2.gz FVJPPKQRNSLXOM-WKULSOCRSA-N 0 0 454.357 5.966 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000010119097 555629558 /nfs/dbraw/zinc/62/95/58/555629558.db2.gz ZUPKTFPULIJNKZ-MZJWZYIUSA-N 0 0 474.344 6.003 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000013841992 555631444 /nfs/dbraw/zinc/63/14/44/555631444.db2.gz XCSCPQINICGJBM-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013841993 555631461 /nfs/dbraw/zinc/63/14/61/555631461.db2.gz RPSHWHSHEWZEGL-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000013842006 555631536 /nfs/dbraw/zinc/63/15/36/555631536.db2.gz USTGTDLBXFLLNO-UHFFFAOYSA-N 0 0 456.999 5.551 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000013842954 555632058 /nfs/dbraw/zinc/63/20/58/555632058.db2.gz PGUBMNXGEYYDSB-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013842936 555632067 /nfs/dbraw/zinc/63/20/67/555632067.db2.gz FZEPLHPXIQEWAW-UHFFFAOYSA-N 0 0 491.444 6.204 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000013842934 555632080 /nfs/dbraw/zinc/63/20/80/555632080.db2.gz GJJXJVJJFHDQFS-UHFFFAOYSA-N 0 0 491.444 6.204 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000013842956 555632092 /nfs/dbraw/zinc/63/20/92/555632092.db2.gz ABRKNKNJNBPSAS-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850500 555634503 /nfs/dbraw/zinc/63/45/03/555634503.db2.gz ICMKBCKLFQXTJN-CQSZACIVSA-N 0 0 463.390 5.642 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850486 555634514 /nfs/dbraw/zinc/63/45/14/555634514.db2.gz QRYIWFMYGLVBKY-HNNXBMFYSA-N 0 0 473.396 5.097 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000013850502 555634535 /nfs/dbraw/zinc/63/45/35/555634535.db2.gz ICMKBCKLFQXTJN-AWEZNQCLSA-N 0 0 463.390 5.642 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013879685 555638249 /nfs/dbraw/zinc/63/82/49/555638249.db2.gz FWRBJZCVAYBSHH-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000013879559 555638253 /nfs/dbraw/zinc/63/82/53/555638253.db2.gz MNNCOYRBXAJDGV-UHFFFAOYSA-N 0 0 481.647 5.037 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000014067214 555675871 /nfs/dbraw/zinc/67/58/71/555675871.db2.gz JKKAMWADJKOHAM-AWEZNQCLSA-N 0 0 455.674 6.501 40 30 JKEBRN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccccc1 ZINC000014067468 555676233 /nfs/dbraw/zinc/67/62/33/555676233.db2.gz WDVGEUIWWSJTIF-INIZCTEOSA-N 0 0 465.648 5.297 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1ccccc1 ZINC000014067584 555676570 /nfs/dbraw/zinc/67/65/70/555676570.db2.gz BVBKBTQGOISKNN-QGZVFWFLSA-N 0 0 479.675 5.780 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(Cl)cc1 ZINC000014069546 555678009 /nfs/dbraw/zinc/67/80/09/555678009.db2.gz SITZGNAOKKTBMQ-UHFFFAOYSA-N 0 0 470.023 5.327 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccc(Cl)cc1 ZINC000014069503 555678128 /nfs/dbraw/zinc/67/81/28/555678128.db2.gz PTPBCCWFCOEBCR-UHFFFAOYSA-N 0 0 482.034 5.947 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Br)cc1 ZINC000014081386 555681465 /nfs/dbraw/zinc/68/14/65/555681465.db2.gz DXYACCHKTJLSMQ-UHFFFAOYSA-N 0 0 471.424 5.748 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Br)cc1 ZINC000014081395 555681503 /nfs/dbraw/zinc/68/15/03/555681503.db2.gz HHDIQMUZZPTTLO-UHFFFAOYSA-N 0 0 497.340 5.643 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Br)cc1 ZINC000014081381 555681539 /nfs/dbraw/zinc/68/15/39/555681539.db2.gz XIRIZDZODAJECH-UHFFFAOYSA-N 0 0 457.397 5.241 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccc(C)c1 ZINC000014082114 555681729 /nfs/dbraw/zinc/68/17/29/555681729.db2.gz PSRYOCUYISNJGX-UHFFFAOYSA-N 0 0 482.034 5.947 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccc(C)cc1 ZINC000014082273 555681740 /nfs/dbraw/zinc/68/17/40/555681740.db2.gz OZWNRENJJIHZJI-SFHVURJKSA-N 0 0 493.702 6.088 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000014083239 555682116 /nfs/dbraw/zinc/68/21/16/555682116.db2.gz ZLHDCPDVYBKSIP-UHFFFAOYSA-N 0 0 483.808 5.831 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083707 555682684 /nfs/dbraw/zinc/68/26/84/555682684.db2.gz UFGSWUFVNGDGGW-UHFFFAOYSA-N 0 0 479.389 5.186 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083731 555683003 /nfs/dbraw/zinc/68/30/03/555683003.db2.gz FSMRMSXBOVXLBP-UHFFFAOYSA-N 0 0 452.580 5.003 40 30 JKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014088296 555684763 /nfs/dbraw/zinc/68/47/63/555684763.db2.gz AUEWGQGSMQJVJR-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCOc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010326313 555684823 /nfs/dbraw/zinc/68/48/23/555684823.db2.gz VOHNHQQJSUIBAT-UHFFFAOYSA-N 0 0 470.978 5.123 40 30 JKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014091448 555684948 /nfs/dbraw/zinc/68/49/48/555684948.db2.gz VZUBAUCTXXONDZ-UHFFFAOYSA-N 0 0 482.034 5.563 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccncc1 ZINC000014110489 555690080 /nfs/dbraw/zinc/69/00/80/555690080.db2.gz VBGBJJMYQVDYSK-INIZCTEOSA-N 0 0 480.663 5.175 40 30 JKEBRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000014117405 555692759 /nfs/dbraw/zinc/69/27/59/555692759.db2.gz JTCHJTMFLVKTSW-UHFFFAOYSA-N 0 0 481.647 5.037 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000014117929 555692956 /nfs/dbraw/zinc/69/29/56/555692956.db2.gz SCWIKSOAOFMFKW-UHFFFAOYSA-N 0 0 458.587 5.544 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014117827 555692985 /nfs/dbraw/zinc/69/29/85/555692985.db2.gz SQKZRRPWXGNIKR-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Br)cc1 ZINC000020195833 555695585 /nfs/dbraw/zinc/69/55/85/555695585.db2.gz UOIFQFLTSLSPHP-LQKURTRISA-N 0 0 499.405 5.568 40 30 JKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1OC ZINC000020195749 555695674 /nfs/dbraw/zinc/69/56/74/555695674.db2.gz VZPSWPIUVOQWDJ-MZJWZYIUSA-N 0 0 480.362 5.041 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000020196529 555695785 /nfs/dbraw/zinc/69/57/85/555695785.db2.gz RANWQQYGACDOJB-OKCVXOCRSA-N 0 0 479.964 5.330 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000020196522 555695858 /nfs/dbraw/zinc/69/58/58/555695858.db2.gz IRWUITQQYMGPQR-WKULSOCRSA-N 0 0 472.944 5.598 40 30 JKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000020196325 555695915 /nfs/dbraw/zinc/69/59/15/555695915.db2.gz QYROYKWBRIWKAE-XODNFHPESA-N 0 0 479.791 6.367 40 30 JKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3cccc4ccccc43)c3ccccc23)cc1OC ZINC000020196644 555696170 /nfs/dbraw/zinc/69/61/70/555696170.db2.gz JBPJONYVYHWFNZ-BIZUNTBRSA-N 0 0 463.581 6.292 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014126812 555697097 /nfs/dbraw/zinc/69/70/97/555697097.db2.gz TVLFNRPRRUDKJY-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000014126858 555697403 /nfs/dbraw/zinc/69/74/03/555697403.db2.gz KJLXXIDXIJWTDG-UHFFFAOYSA-N 0 0 472.998 5.053 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014133288 555700995 /nfs/dbraw/zinc/70/09/95/555700995.db2.gz AKNHGTIKUIFJSS-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014133287 555701047 /nfs/dbraw/zinc/70/10/47/555701047.db2.gz TVCJFRAVFSEPAR-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000014133216 555701053 /nfs/dbraw/zinc/70/10/53/555701053.db2.gz KLSFOTHDVMFWKV-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014133385 555701475 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C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1F ZINC000014134247 555702755 /nfs/dbraw/zinc/70/27/55/555702755.db2.gz ADLZFHHLPOYBPZ-UHFFFAOYSA-N 0 0 454.571 5.345 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000014134243 555702760 /nfs/dbraw/zinc/70/27/60/555702760.db2.gz IHQSIHFHQMLTNE-UHFFFAOYSA-N 0 0 478.662 6.131 40 30 JKEBRN N#Cc1c(/N=C/c2cn(CCC(N)=O)c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014134489 555702820 /nfs/dbraw/zinc/70/28/20/555702820.db2.gz TYUKVPDDHYYDEK-KCSSXMTESA-N 0 0 458.521 6.066 40 30 JKEBRN CN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020220335 555716787 /nfs/dbraw/zinc/71/67/87/555716787.db2.gz FMDAAKFYLFHUBO-MSUPTPDXSA-N 0 0 476.307 5.602 40 30 JKEBRN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163720 555717118 /nfs/dbraw/zinc/71/71/18/555717118.db2.gz HNVOVOJWXHDDJT-SXBQZSJRSA-N 0 0 463.965 5.797 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nnc1-c1ccncc1 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CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1cccc(OC(=O)c2ccc(Cl)cc2)c1 ZINC000014671919 555837830 /nfs/dbraw/zinc/83/78/30/555837830.db2.gz JKDVVVPFTQGWIO-SANMLTNESA-N 0 0 490.024 7.461 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000014730313 555839250 /nfs/dbraw/zinc/83/92/50/555839250.db2.gz ZVKBBMUZTCNEJN-UHFFFAOYSA-N 0 0 486.595 5.452 40 30 JKEBRN CC[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)Nc1nnc(C)s1 ZINC000022079493 555872270 /nfs/dbraw/zinc/87/22/70/555872270.db2.gz ISLSYUDKMFERGG-CYBMUJFWSA-N 0 0 469.539 5.370 40 30 JKEBRN CCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000011992774 555877878 /nfs/dbraw/zinc/87/78/78/555877878.db2.gz TZDUXMNLOFUQRU-BUVRLJJBSA-N 0 0 458.425 6.978 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(Br)c(Cl)c3)NC2=O)cc1Cl ZINC000015229890 555889248 /nfs/dbraw/zinc/88/92/48/555889248.db2.gz GFRVPOWQGGQSFD-VIZOYTHASA-N 0 0 458.164 5.656 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2C1 ZINC000015277573 555893173 /nfs/dbraw/zinc/89/31/73/555893173.db2.gz VVRMBXOIOARUHX-OAHLLOKOSA-N 0 0 467.620 5.337 40 30 JKEBRN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cccc4ccccc43)C12 ZINC000022529372 555931279 /nfs/dbraw/zinc/93/12/79/555931279.db2.gz PGNGSBGQJJYYRP-SPLOXXLWSA-N 0 0 450.420 5.459 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022529860 555931458 /nfs/dbraw/zinc/93/14/58/555931458.db2.gz TUXCBATVYKNSCG-WXTAPIANSA-N 0 0 450.498 5.669 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022529873 555931530 /nfs/dbraw/zinc/93/15/30/555931530.db2.gz TUXCBATVYKNSCG-DWXRJYCRSA-N 0 0 450.498 5.669 40 30 JKEBRN Oc1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000022565903 555936166 /nfs/dbraw/zinc/93/61/66/555936166.db2.gz LCGVMPUCWMAKPE-MZJWZYIUSA-N 0 0 458.827 6.787 40 30 JKEBRN COc1ccccc1[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2c[nH]c3ccccc32)C1 ZINC000022568043 555936792 /nfs/dbraw/zinc/93/67/92/555936792.db2.gz CNEJLOBSRIXJCT-UULLZXFKSA-N 0 0 460.537 5.942 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022568023 555936800 /nfs/dbraw/zinc/93/68/00/555936800.db2.gz IKFXWOYONMPTJU-JMQGSBJISA-N 0 0 460.537 5.942 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Br)c4O)cc3)nc2c1 ZINC000022572018 555937779 /nfs/dbraw/zinc/93/77/79/555937779.db2.gz IOBKROATPTUXDB-JZNDDVEWSA-N 0 0 463.375 7.535 40 30 JKEBRN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000022574805 555938325 /nfs/dbraw/zinc/93/83/25/555938325.db2.gz BGUCTYNRJKDVKT-CRYYWNKWSA-N 0 0 464.956 6.587 40 30 JKEBRN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000022574776 555938381 /nfs/dbraw/zinc/93/83/81/555938381.db2.gz RETBGBJPRNMJKG-SOKVYYICSA-N 0 0 464.956 6.587 40 30 JKEBRN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022708464 555945104 /nfs/dbraw/zinc/94/51/04/555945104.db2.gz YBGBTFPTDMUZRI-JRPXNJEYSA-N 0 0 472.592 7.057 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000022711031 555945703 /nfs/dbraw/zinc/94/57/03/555945703.db2.gz WYPFKSVPRSWHNN-JLTOFOAXSA-N 0 0 474.870 5.375 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)nc2c1 ZINC000022715780 555947482 /nfs/dbraw/zinc/94/74/82/555947482.db2.gz ROHMCJHBGLOHKC-FYDYWCEBSA-N 0 0 479.374 7.236 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000022741578 555949496 /nfs/dbraw/zinc/94/94/96/555949496.db2.gz JGTSNALUAOPDSH-OPAMFIHVSA-N 0 0 484.478 5.038 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000022741582 555949526 /nfs/dbraw/zinc/94/95/26/555949526.db2.gz JGTSNALUAOPDSH-AOMKIAJQSA-N 0 0 484.478 5.038 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)c(OC)c1 ZINC000022748716 555952057 /nfs/dbraw/zinc/95/20/57/555952057.db2.gz HRWGCIRYXNHPDW-ADKRDUOOSA-N 0 0 490.563 5.951 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1OC ZINC000022748723 555952117 /nfs/dbraw/zinc/95/21/17/555952117.db2.gz KDUCIIHGOKVISG-RBSBEOHCSA-N 0 0 490.563 5.951 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1Cl ZINC000022755782 555953663 /nfs/dbraw/zinc/95/36/63/555953663.db2.gz AGAFYPORFIVCTA-DNGMOHDESA-N 0 0 496.057 6.493 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000022758239 555954794 /nfs/dbraw/zinc/95/47/94/555954794.db2.gz ZVBTYDWWGNFMPB-QNLPTKCRSA-N 0 0 497.598 7.553 40 30 JKEBRN C[C@]12c3ccc([N+](=O)[O-])cc3C=CN1[C@H](C#N)[C@H](c1ccccc1)[C@]2(C#N)C(=O)c1ccccc1 ZINC000012371956 555961863 /nfs/dbraw/zinc/96/18/63/555961863.db2.gz LCZUAMPIOIDLKO-QEFMBMMRSA-N 0 0 460.493 5.179 40 30 JKEBRN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Br ZINC000012445189 555980381 /nfs/dbraw/zinc/98/03/81/555980381.db2.gz MXMXILNSGQPDJP-UHFFFAOYSA-N 0 0 476.418 6.430 40 30 JKEBRN CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccccc1OC(F)F ZINC000012555641 556041387 /nfs/dbraw/zinc/04/13/87/556041387.db2.gz PTPRGRNRJFHFQX-VBXHEDAZSA-N 0 0 458.353 5.445 40 30 JKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(I)cc1 ZINC000012559058 556049349 /nfs/dbraw/zinc/04/93/49/556049349.db2.gz WHCLVPWZAUAJFO-WSDLNYQXSA-N 0 0 472.355 5.754 40 30 JKEBRN Cc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(C)n1-c1ccccc1Cl ZINC000012559278 556049661 /nfs/dbraw/zinc/04/96/61/556049661.db2.gz KEJPNKBUFASDEA-BRJLIKDPSA-N 0 0 485.838 7.080 40 30 JKEBRN CCOc1c(Br)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Br ZINC000023380942 556050229 /nfs/dbraw/zinc/05/02/29/556050229.db2.gz OUWGENJDESQNTD-UHFFFAOYSA-N 0 0 495.211 5.311 40 30 JKEBRN Cc1cc(C=NNc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 ZINC000012564766 556061192 /nfs/dbraw/zinc/06/11/92/556061192.db2.gz DPCRJYKTVKEQRB-CIAFOILYSA-N 0 0 460.275 5.053 40 30 JKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000012570904 556073474 /nfs/dbraw/zinc/07/34/74/556073474.db2.gz PDJBWZPQHXLDAO-NJZRLIGZSA-N 0 0 472.548 6.483 40 30 JKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000012571125 556073532 /nfs/dbraw/zinc/07/35/32/556073532.db2.gz OBRWHNKGAHCTBW-UVHMKAGCSA-N 0 0 471.775 6.954 40 30 JKEBRN COC(=O)c1ccc(COc2ccc(C=NNc3ccnc4cc(Cl)ccc43)cc2OC)cc1 ZINC000012571134 556073601 /nfs/dbraw/zinc/07/36/01/556073601.db2.gz NPSGXEKIKKENOA-WKULSOCRSA-N 0 0 475.932 5.708 40 30 JKEBRN O=c1oc2ccc3ccccc3c2cc1-c1cnc(N=NCc2ccc(Br)cc2)s1 ZINC000012577114 556076414 /nfs/dbraw/zinc/07/64/14/556076414.db2.gz NMLGXHQLWKTITM-RPPGKUMJSA-N 0 0 476.355 6.278 40 30 JKEBRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1OC ZINC000012847072 556117515 /nfs/dbraw/zinc/11/75/15/556117515.db2.gz ZCTSHQSVWSTDNY-DENIHFKCSA-N 0 0 499.493 5.269 40 30 JKEBRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]2C1 ZINC000012869774 556120909 /nfs/dbraw/zinc/12/09/09/556120909.db2.gz RMIVRCBSQPCSCQ-XBXHJRILSA-N 0 0 484.721 6.501 40 30 biogenic JKEBRN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000012870681 556120980 /nfs/dbraw/zinc/12/09/80/556120980.db2.gz PNDHMMQVMNVWPV-QATLPOCJSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN N#Cc1ccc(CSc2ccc(Sc3ccc(SCc4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000016401875 556138397 /nfs/dbraw/zinc/13/83/97/556138397.db2.gz JPUKQGCMOIUTRK-UHFFFAOYSA-N 0 0 480.683 8.166 40 30 JKEBRN N#Cc1c(SCCCn2c(=O)[nH]c3ccccc32)nc(-c2ccccc2)cc1C(F)(F)F ZINC000016492615 556141210 /nfs/dbraw/zinc/14/12/10/556141210.db2.gz IFVZKYJFKJGHIK-UHFFFAOYSA-N 0 0 454.477 5.464 40 30 JKEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1c(F)c(F)c(N2CCCCC2)c(F)c1F ZINC000016545576 556143051 /nfs/dbraw/zinc/14/30/51/556143051.db2.gz PBUKXCDTURTQNL-UHFFFAOYSA-N 0 0 464.426 5.027 40 30 JKEBRN CC1C/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)C(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 ZINC000016608301 556145842 /nfs/dbraw/zinc/14/58/42/556145842.db2.gz OVPFMNBBFFEUSP-KVOOEGMKSA-N 0 0 464.522 5.101 40 30 JKEBRN CCCCc1ccc(/N=C/c2c(O)c(OCC)cc(Br)c2Br)cc1 ZINC000016639547 556149767 /nfs/dbraw/zinc/14/97/67/556149767.db2.gz NORVMCCOCSUXED-WSDLNYQXSA-N 0 0 455.190 6.409 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 ZINC000016663032 556150109 /nfs/dbraw/zinc/15/01/09/556150109.db2.gz MDDCIEMEZODAOY-UVHMKAGCSA-N 0 0 468.409 7.450 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl ZINC000016684070 556151415 /nfs/dbraw/zinc/15/14/15/556151415.db2.gz YMSMZODFJDMDES-JFLMPSFJSA-N 0 0 463.990 6.887 40 30 JKEBRN CCOc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1ccccc1F ZINC000016689282 556152760 /nfs/dbraw/zinc/15/27/60/556152760.db2.gz HTRAZZYAKGBRQD-UHFFFAOYSA-N 0 0 477.499 5.597 40 30 JKEBRN COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000016768409 556158839 /nfs/dbraw/zinc/15/88/39/556158839.db2.gz VEZVVTUQJBJIID-WUKNDPDISA-N 0 0 476.580 5.637 40 30 JKEBRN O=C1[C@@H](/N=C/c2c(O)ccc3ccccc32)CON1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000016918344 556180307 /nfs/dbraw/zinc/18/03/07/556180307.db2.gz FGRZFKGEODEVSX-QXNHYZTASA-N 0 0 498.582 6.099 40 30 JKEBRN C=CC(=O)N1C/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000016957517 556188559 /nfs/dbraw/zinc/18/85/59/556188559.db2.gz FBZOBWNZGBPYHT-DUGOVBPYSA-N 0 0 467.179 6.365 40 30 JKEBRN CC(C)(C)c1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000017041164 556208108 /nfs/dbraw/zinc/20/81/08/556208108.db2.gz YAVNOHQURNKDQF-UHFFFAOYSA-N 0 0 453.586 6.246 40 30 JKEBRN O=C(Nc1ccc(Br)cc1C(F)(F)F)O/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 ZINC000017109497 556217297 /nfs/dbraw/zinc/21/72/97/556217297.db2.gz BOTAWOQEJNHGFN-NNXLNWLCSA-N 0 0 493.279 6.154 40 30 JKEBRN CC(C)(C)c1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC[C@H]3C2)cc1 ZINC000025541112 556219647 /nfs/dbraw/zinc/21/96/47/556219647.db2.gz GPJHJVPMQNVLFT-SBRUKGQTSA-N 0 0 486.718 6.670 40 30 JKEBRN Cc1cccc(-n2c(-c3ccccc3)csc2=NNc2csc(=O)n2Cc2ccccc2)c1 ZINC000017140958 556224765 /nfs/dbraw/zinc/22/47/65/556224765.db2.gz QRIFZNARFVOLLY-FRUUGIBISA-N 0 0 470.623 6.097 40 30 JKEBRN CCCCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000017164303 556230192 /nfs/dbraw/zinc/23/01/92/556230192.db2.gz RWLPUEVBRHMPTK-KTOKKRGISA-N 0 0 456.611 7.454 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1c2cc(Br)ccc2oc1NC1CCCCC1 ZINC000017222211 556242838 /nfs/dbraw/zinc/24/28/38/556242838.db2.gz DAWWAPUPNAZLOX-WYMPLXKRSA-N 0 0 492.211 7.159 40 30 JKEBRN COc1cc(-c2oc(/C=N/c3ccccc3)c([N+](=O)[O-])c2-c2ccc(O)c(OC)c2)ccc1O ZINC000017221951 556242893 /nfs/dbraw/zinc/24/28/93/556242893.db2.gz RTEJNTMHKKJOBQ-VULFUBBASA-N 0 0 460.442 5.701 40 30 JKEBRN O=C(/C=N\c1cc2c(cc1Br)-c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000017285027 556250531 /nfs/dbraw/zinc/25/05/31/556250531.db2.gz LTFJRMQAOJNKPG-MYKKPKGFSA-N 0 0 469.132 6.008 40 30 JKEBRN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(c3ccccc3)C1=O)S2 ZINC000017282367 556250623 /nfs/dbraw/zinc/25/06/23/556250623.db2.gz ZGRGHEQUVBNRFI-BZUZNSEFSA-N 0 0 495.629 7.027 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000026580607 556257538 /nfs/dbraw/zinc/25/75/38/556257538.db2.gz URUAVBQLEQHRNJ-IWIPYMOSSA-N 0 0 472.591 5.942 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)SC1=S ZINC000026642153 556258351 /nfs/dbraw/zinc/25/83/51/556258351.db2.gz AHIHMWUYCQGMII-MOSHPQCFSA-N 0 0 460.020 6.013 40 30 JKEBRN c1ccc2c(c1)cccc2CN=Nc1nnc(N=NCc2cccc3ccccc32)c2ccccc21 ZINC000017418744 556260783 /nfs/dbraw/zinc/26/07/83/556260783.db2.gz GQTLVDUTCISNAX-GKTLAHRSSA-N 0 0 466.548 6.828 40 30 JKEBRN CCCCCCCCCCC[C@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O ZINC000017653608 556263192 /nfs/dbraw/zinc/26/31/92/556263192.db2.gz AHLBNYSZXLDEJQ-FPCALVHFSA-N 0 0 495.745 6.882 40 30 in-vitro JKEBRN CC(C)(C)C1=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000026787114 556263718 /nfs/dbraw/zinc/26/37/18/556263718.db2.gz OVEWZPPWYRVBEU-XLVZBRSZSA-N 0 0 462.615 5.791 40 30 JKEBRN Cc1ccc(S(=O)(=O)/N=C(/N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c2ccccc2)cc1 ZINC000026787104 556263799 /nfs/dbraw/zinc/26/37/99/556263799.db2.gz KNIVQTRRTVTDHQ-URGPHPNLSA-N 0 0 476.642 6.099 40 30 JKEBRN CC(C)(C)C1=C/C(=N/C(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)[C@@](Cl)(C(C)(C)C)C1=O ZINC000026787272 556263808 /nfs/dbraw/zinc/26/38/08/556263808.db2.gz OJZQMLNMNNPTGS-FXONECCMSA-N 0 0 473.784 5.929 40 30 JKEBRN O=C(CSc1nnc(-c2ccc(/N=C\c3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1 ZINC000017885514 556269605 /nfs/dbraw/zinc/26/96/05/556269605.db2.gz HMJUUOVNRAVGON-ZMFRSBBQSA-N 0 0 483.380 6.525 40 30 JKEBRN CCCCN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 ZINC000027439691 556278453 /nfs/dbraw/zinc/27/84/53/556278453.db2.gz GKKJKAMKDCHOIM-IWGRKNQJSA-N 0 0 489.251 6.363 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=O)c2ccc(Cl)c(Cl)c2)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000018063812 556282311 /nfs/dbraw/zinc/28/23/11/556282311.db2.gz AAGVJHKNMYERDX-UHFFFAOYSA-N 0 0 499.377 5.461 40 30 JKEBRN CCc1ccc(NC(=S)N=C(NCCc2c[nH]c3ccc(F)cc23)Nc2nc(C)cc(C)n2)cc1 ZINC000018077269 556283839 /nfs/dbraw/zinc/28/38/39/556283839.db2.gz WFIBGUTWADGEPS-UHFFFAOYSA-N 0 0 489.624 5.273 40 30 JKEBRN O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000018129391 556292247 /nfs/dbraw/zinc/29/22/47/556292247.db2.gz HITDSWDYKXJLFC-UEKFQANFSA-N 0 0 484.299 5.100 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000018144238 556294036 /nfs/dbraw/zinc/29/40/36/556294036.db2.gz FVBBMMSANMODSR-JOCHJYFZSA-N 0 0 480.333 5.409 40 30 JKEBRN CC(/C=N/N=C1/S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1 ZINC000027642535 556301341 /nfs/dbraw/zinc/30/13/41/556301341.db2.gz PNGSWXNGMMGPDG-XPDNKEABSA-N 0 0 461.974 6.495 40 30 JKEBRN Cn1cc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182476 556316431 /nfs/dbraw/zinc/31/64/31/556316431.db2.gz MFHOZUXDCDBSSY-MYKKPKGFSA-N 0 0 450.321 6.680 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C1=O)cn2C ZINC000028182515 556316433 /nfs/dbraw/zinc/31/64/33/556316433.db2.gz VOHJYRIJMRFOLU-NQQUQCKKSA-N 0 0 451.522 6.204 40 30 JKEBRN Cc1c2c(ccc1OCc1c(Cl)cccc1Cl)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182609 556316724 /nfs/dbraw/zinc/31/67/24/556316724.db2.gz AMBPMOOJKDHYLX-MSXFZWOLSA-N 0 0 464.348 6.989 40 30 JKEBRN Cc1cc(C)cc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c1 ZINC000028219437 556325314 /nfs/dbraw/zinc/32/53/14/556325314.db2.gz WUGGYSCKIKZKDM-CCVNUDIWSA-N 0 0 462.018 7.170 40 30 JKEBRN COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000028218079 556325324 /nfs/dbraw/zinc/32/53/24/556325324.db2.gz XHVMQERAUIWFLQ-AFUMVMLFSA-N 0 0 484.419 5.666 40 30 JKEBRN Clc1cccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c1 ZINC000028219457 556325491 /nfs/dbraw/zinc/32/54/91/556325491.db2.gz AZCVYQQWPFKZSA-UVHMKAGCSA-N 0 0 468.409 7.207 40 30 JKEBRN Clc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1 ZINC000028219461 556325676 /nfs/dbraw/zinc/32/56/76/556325676.db2.gz SWEZVGUDZGPVCG-UVHMKAGCSA-N 0 0 468.409 7.207 40 30 JKEBRN COc1cccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c1 ZINC000028219481 556325723 /nfs/dbraw/zinc/32/57/23/556325723.db2.gz KCRYGDCXZNEGAE-MZJWZYIUSA-N 0 0 463.990 6.562 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1OC ZINC000028219521 556325741 /nfs/dbraw/zinc/32/57/41/556325741.db2.gz VFLHKYBNEVBHTD-CCVNUDIWSA-N 0 0 494.016 6.570 40 30 JKEBRN N#Cc1cccc(NC(=O)COc2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)c1 ZINC000028616788 556337159 /nfs/dbraw/zinc/33/71/59/556337159.db2.gz DDQDXOOSJMNEMM-UHFFFAOYSA-N 0 0 489.626 5.295 40 30 JKEBRN COc1ccc([C@H](C#N)N2CCCN([C@@H](C#N)c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1 ZINC000019325943 556341453 /nfs/dbraw/zinc/34/14/53/556341453.db2.gz IFBJQKLDJPJXLO-NSOVKSMOSA-N 0 0 482.584 5.248 40 30 JKEBRN COc1ccc([C@H](C#N)N2CCCN([C@@H](C#N)c3ccc(OC)cc3)C2c2ccccc2)cc1 ZINC000019325959 556341464 /nfs/dbraw/zinc/34/14/64/556341464.db2.gz LLHIUPLUMASRLW-SVBPBHIXSA-N 0 0 452.558 5.240 40 30 JKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000019727342 556362271 /nfs/dbraw/zinc/36/22/71/556362271.db2.gz FMJFAZQGUYXUIC-VTUGULTDSA-N 0 0 487.596 5.308 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1cccc(F)c1)[C@@H]2c1ccc(F)cc1 ZINC000030823040 556375448 /nfs/dbraw/zinc/37/54/48/556375448.db2.gz GIZPMMDILFINGJ-MUUNZHRXSA-N 0 0 487.550 6.220 40 30 JKEBRN O=C1CCCC2=C1[C@@H](c1ccc(Oc3ccccc3)cc1)c1c(=O)[nH]c(N3CCCCC3)nc1N2 ZINC000019820024 556388459 /nfs/dbraw/zinc/38/84/59/556388459.db2.gz VQAPBTUSZWAVOW-HSZRJFAPSA-N 0 0 468.557 5.117 40 30 JKEBRN O=C1CCCC2=C1[C@H](c1ccc(Oc3ccccc3)cc1)c1c(=O)[nH]c(N3CCCCC3)nc1N2 ZINC000019820026 556388567 /nfs/dbraw/zinc/38/85/67/556388567.db2.gz VQAPBTUSZWAVOW-QHCPKHFHSA-N 0 0 468.557 5.117 40 30 JKEBRN CN(/N=C\c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)N(C)/N=C\c1ccc(Cl)cc1 ZINC000031658543 556401259 /nfs/dbraw/zinc/40/12/59/556401259.db2.gz XHXDHQIFVMCWGX-USYBVIFISA-N 0 0 459.808 6.577 40 30 JKEBRN CCOc1cc(C=NNc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Br)cc1 ZINC000031783732 556404280 /nfs/dbraw/zinc/40/42/80/556404280.db2.gz YWIBYLPQLOVFID-RMORIDSASA-N 0 0 477.746 5.022 40 30 JKEBRN CC(C)(Oc1ccc(/C=C\C(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000031851857 556408756 /nfs/dbraw/zinc/40/87/56/556408756.db2.gz FRDZQCMQNOCJBD-SSZFMOIBSA-N 0 0 454.353 6.686 40 30 JKEBRN C/C(=N\Nc1ccccc1)[C@H](C[NH+](C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841593 556408827 /nfs/dbraw/zinc/40/88/27/556408827.db2.gz CKJYYVNDXWHQBU-DNCUUHFUSA-N 0 0 455.558 5.296 40 30 JKEBRN C#CCOc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000032099732 556416240 /nfs/dbraw/zinc/41/62/40/556416240.db2.gz SYDPXBOPJFLWBG-UHFFFAOYSA-N 0 0 453.582 5.825 40 30 JKEBRN O=C1C=Cc2ccccc2C1(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 ZINC000032107127 556418425 /nfs/dbraw/zinc/41/84/25/556418425.db2.gz YEXRTDWUZXTOSK-UHFFFAOYSA-N 0 0 482.215 6.531 40 30 JKEBRN CCCCCCc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=S)NC)cc2OC)cc1 ZINC000032109541 556419563 /nfs/dbraw/zinc/41/95/63/556419563.db2.gz ZWHMDXUZBPJIJD-WPWMEQJKSA-N 0 0 478.058 5.357 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(OCC)c1O ZINC000032114519 556421015 /nfs/dbraw/zinc/42/10/15/556421015.db2.gz UNPZBSNOBQUEOC-GMQXDGEASA-N 0 0 484.621 6.632 40 30 JKEBRN COCc1cc(C)nc(N=NCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C#N ZINC000032116863 556425486 /nfs/dbraw/zinc/42/54/86/556425486.db2.gz KRIAJWXJQLZGLD-ROTLSHHCSA-N 0 0 467.938 5.567 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])cc1 ZINC000032117150 556425686 /nfs/dbraw/zinc/42/56/86/556425686.db2.gz RYKBEVSJJIITMA-ZNUIVASASA-N 0 0 489.666 7.889 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(Br)cc3)sc2C1 ZINC000032124647 556427425 /nfs/dbraw/zinc/42/74/25/556427425.db2.gz RYUDKPUPUDKSBI-ZDUSSCGKSA-N 0 0 463.466 6.264 40 30 JKEBRN O=[N+]([O-])c1cc(C=NNc2ccc(Br)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000032124734 556427723 /nfs/dbraw/zinc/42/77/23/556427723.db2.gz PKFSSMVMKNHMQE-UUYOSTAYSA-N 0 0 462.756 6.608 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4cc(Br)ccc43)sc2C1 ZINC000032124693 556427747 /nfs/dbraw/zinc/42/77/47/556427747.db2.gz OSECZDRHRFPJGA-HNNXBMFYSA-N 0 0 470.436 6.127 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000032124919 556428223 /nfs/dbraw/zinc/42/82/23/556428223.db2.gz YZDXLRGYNHRXNT-CVKSISIWSA-N 0 0 480.611 6.922 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccc(C)c(C)c4)NC3=O)c2C)cc1 ZINC000032138978 556432782 /nfs/dbraw/zinc/43/27/82/556432782.db2.gz TYEGQWZBIZZJPT-BUVRLJJBSA-N 0 0 473.598 5.779 40 30 JKEBRN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000032193762 556433455 /nfs/dbraw/zinc/43/34/55/556433455.db2.gz LNAKFURJWCRQNF-UHFFFAOYSA-N 0 0 451.994 5.667 40 30 JKEBRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=N\Nc2ccc(C)cc2)cc1 ZINC000032598168 556450007 /nfs/dbraw/zinc/45/00/07/556450007.db2.gz SHPWTJMSHSQDJM-HTDLHJJCSA-N 0 0 469.570 5.846 40 30 JKEBRN CN(C)c1ccc(/C=N/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000032598114 556450070 /nfs/dbraw/zinc/45/00/70/556450070.db2.gz IKYPRFWEBOBMFW-RWKMNMPCSA-N 0 0 485.613 5.035 40 30 JKEBRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=N\Nc2ccc(Cl)cc2)cc1 ZINC000032598111 556450160 /nfs/dbraw/zinc/45/01/60/556450160.db2.gz AVGJAGYILFWZOZ-GIAQSNRWSA-N 0 0 489.988 6.191 40 30 JKEBRN COc1ccc2[nH]c(SCC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)nc2c1 ZINC000032697298 556471912 /nfs/dbraw/zinc/47/19/12/556471912.db2.gz JJZRYTHXKYWHFS-UHFFFAOYSA-N 0 0 480.549 6.101 40 30 JKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501211 560037893 /nfs/dbraw/zinc/03/78/93/560037893.db2.gz ODSSDTBFHAYYMD-QKQMCQTLSA-N 0 0 468.766 8.596 40 30 biogenic,in-vitro JKEBRN C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]1C2 ZINC000223793563 560041375 /nfs/dbraw/zinc/04/13/75/560041375.db2.gz SSHDNSCEQSPWIM-FVTWEACWSA-N 0 0 468.678 5.863 40 30 biogenic,in-vitro JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@]12C#N ZINC000008666648 569592689 /nfs/dbraw/zinc/59/26/89/569592689.db2.gz BJZOVPLVGKMJJW-QTJGBDASSA-N 0 0 467.708 5.736 40 30 JKEBRN Cc1ccc(S(=O)(=O)c2nc(N=NC=CCc3ccc(N(C)C)cc3)sc2Cl)cc1 ZINC000057291977 569595860 /nfs/dbraw/zinc/59/58/60/569595860.db2.gz YZCJWRFJLKAREP-XJLXESQPSA-N 0 0 461.012 5.115 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000059246052 569602377 /nfs/dbraw/zinc/60/23/77/569602377.db2.gz XBNFSBCMNLNERX-JVWAILMASA-N 0 0 499.474 6.215 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccccc1 ZINC000059193853 569602403 /nfs/dbraw/zinc/60/24/03/569602403.db2.gz KWVAQOGSYLFYJF-WPWMEQJKSA-N 0 0 457.555 6.182 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000059246076 569602464 /nfs/dbraw/zinc/60/24/64/569602464.db2.gz YBXPYPNNAHZYJA-NDZAJKAJSA-N 0 0 470.638 6.605 40 30 JKEBRN Fc1ccc(COc2ccc(Br)cc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059418086 569602942 /nfs/dbraw/zinc/60/29/42/569602942.db2.gz HLLARJQRQMRCIG-WYMPLXKRSA-N 0 0 456.340 6.223 40 30 JKEBRN Fc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000059418342 569603148 /nfs/dbraw/zinc/60/31/48/569603148.db2.gz BHVNMKGUBILWMP-NDZAJKAJSA-N 0 0 497.578 5.770 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)c2C)cc1 ZINC000059427428 569603698 /nfs/dbraw/zinc/60/36/98/569603698.db2.gz AWWZTFSGIILEOV-XKZIYDEJSA-N 0 0 479.989 5.816 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)CCCC3 ZINC000059433782 569603737 /nfs/dbraw/zinc/60/37/37/569603737.db2.gz WYQXHMCZMYNZMR-YSURURNPSA-N 0 0 454.895 5.041 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059433550 569603747 /nfs/dbraw/zinc/60/37/47/569603747.db2.gz JQZFNULBMHNOMQ-YBFXNURJSA-N 0 0 487.368 6.201 40 30 JKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000059433746 569603748 /nfs/dbraw/zinc/60/37/48/569603748.db2.gz DMCGLACIBXSBTQ-CCVNUDIWSA-N 0 0 464.953 5.485 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000059435514 569603794 /nfs/dbraw/zinc/60/37/94/569603794.db2.gz HVTUXRBUOGVRJB-BATDETSNSA-N 0 0 472.803 6.414 40 30 JKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000059444856 569603988 /nfs/dbraw/zinc/60/39/88/569603988.db2.gz RRUZBVZXVIOHRM-HYARGMPZSA-N 0 0 458.470 5.349 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000059444861 569604019 /nfs/dbraw/zinc/60/40/19/569604019.db2.gz OXXKZSIEBMNFOM-FYJGNVAPSA-N 0 0 468.336 6.439 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)c(C)c1 ZINC000059459416 569604089 /nfs/dbraw/zinc/60/40/89/569604089.db2.gz CKIXWFXVFPAQCX-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4c(F)cccc4Cl)cc3s2)cc1 ZINC000059459196 569604137 /nfs/dbraw/zinc/60/41/37/569604137.db2.gz IAZLTFMTZJRYMF-XODNFHPESA-N 0 0 498.048 7.694 40 30 JKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)c1 ZINC000059459444 569604149 /nfs/dbraw/zinc/60/41/49/569604149.db2.gz VQGFBOFUQLBROV-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461388 569604181 /nfs/dbraw/zinc/60/41/81/569604181.db2.gz GUSSJHUXAOBGJB-DHZCBHNFSA-N 0 0 462.958 7.109 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)c(C)c1 ZINC000059461304 569604191 /nfs/dbraw/zinc/60/41/91/569604191.db2.gz WIDICJSQYICDEP-LGJNPRDNSA-N 0 0 490.610 6.611 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1 ZINC000059461391 569604200 /nfs/dbraw/zinc/60/42/00/569604200.db2.gz KCKFVXCKFICWET-RONFPKJASA-N 0 0 462.958 7.109 40 30 JKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000059461270 569604203 /nfs/dbraw/zinc/60/42/03/569604203.db2.gz ZLBRKYURSUFNOV-XODNFHPESA-N 0 0 495.456 8.505 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1 ZINC000059461392 569604205 /nfs/dbraw/zinc/60/42/05/569604205.db2.gz KCKFVXCKFICWET-DHZCBHNFSA-N 0 0 462.958 7.109 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)c(C)c1 ZINC000059461308 569604206 /nfs/dbraw/zinc/60/42/06/569604206.db2.gz VNNVIVYTDKVNFA-UVHMKAGCSA-N 0 0 463.603 6.842 40 30 JKEBRN Clc1ccc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1 ZINC000059461277 569604223 /nfs/dbraw/zinc/60/42/23/569604223.db2.gz QSIYMIQUETVKPM-OPEKNORGSA-N 0 0 463.842 8.299 40 30 JKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463706 569604325 /nfs/dbraw/zinc/60/43/25/569604325.db2.gz YFQNCFJETHMNAB-CVKSISIWSA-N 0 0 459.527 6.462 40 30 JKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463735 569604327 /nfs/dbraw/zinc/60/43/27/569604327.db2.gz NGKORVDNNGDRMK-VULFUBBASA-N 0 0 479.945 6.807 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463782 569604405 /nfs/dbraw/zinc/60/44/05/569604405.db2.gz GDNWHQDXGXHXKI-VULFUBBASA-N 0 0 492.398 7.515 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463794 569604428 /nfs/dbraw/zinc/60/44/28/569604428.db2.gz ACIBIXURAVQCSY-AFUMVMLFSA-N 0 0 458.499 6.661 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463759 569604441 /nfs/dbraw/zinc/60/44/41/569604441.db2.gz DBRNCICZSJDTEL-ZVHZXABRSA-N 0 0 460.471 6.053 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474810 569604559 /nfs/dbraw/zinc/60/45/59/569604559.db2.gz VTFRKOZURHDQIB-FSJBWODESA-N 0 0 493.526 5.594 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NC[C@@H]1CCCO1 ZINC000059474847 569604598 /nfs/dbraw/zinc/60/45/98/569604598.db2.gz GCDBKZCQZVIIOH-CRUCUMJDSA-N 0 0 480.442 5.741 40 30 JKEBRN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 ZINC000059475139 569604613 /nfs/dbraw/zinc/60/46/13/569604613.db2.gz NXNJHLHPKXWFAM-DHRITJCHSA-N 0 0 484.806 7.045 40 30 JKEBRN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059475154 569604640 /nfs/dbraw/zinc/60/46/40/569604640.db2.gz YPSPDFYGBWCCPC-ZVHZXABRSA-N 0 0 450.361 6.391 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc(Br)c1OCC ZINC000059474909 569604646 /nfs/dbraw/zinc/60/46/46/569604646.db2.gz REJVDSPWMSQRLK-UVHMKAGCSA-N 0 0 493.357 5.128 40 30 JKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1)c1ccccc1 ZINC000059475126 569604707 /nfs/dbraw/zinc/60/47/07/569604707.db2.gz FBFLUDIJGMQMLQ-TWKHWXDSSA-N 0 0 475.573 7.142 40 30 JKEBRN COc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1OC ZINC000059483021 569604872 /nfs/dbraw/zinc/60/48/72/569604872.db2.gz SSOJKWPOEVDBND-NJZRLIGZSA-N 0 0 459.549 6.974 40 30 JKEBRN O=C(Oc1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000059483147 569604887 /nfs/dbraw/zinc/60/48/87/569604887.db2.gz VDHNSRFBGQWRLV-ZCTHSVRISA-N 0 0 477.951 7.163 40 30 JKEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000059478090 569604900 /nfs/dbraw/zinc/60/49/00/569604900.db2.gz KWAQHRNDGOWNGW-NUMLQCRISA-N 0 0 488.672 5.045 40 30 JKEBRN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)c1 ZINC000059483428 569604936 /nfs/dbraw/zinc/60/49/36/569604936.db2.gz JFNGXZVYOFDBLS-LGJNPRDNSA-N 0 0 481.574 5.934 40 30 JKEBRN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)cc1 ZINC000059483408 569605020 /nfs/dbraw/zinc/60/50/20/569605020.db2.gz WYRZJUCAJDZBAI-DHRITJCHSA-N 0 0 451.548 5.925 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(OCc4ccc(F)cc4)cc3)sc2-c2ccccc2)cc1 ZINC000059484369 569605029 /nfs/dbraw/zinc/60/50/29/569605029.db2.gz VFIVTSASHNUZTD-BIZUNTBRSA-N 0 0 493.607 7.950 40 30 JKEBRN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCc5cccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000059485632 569605321 /nfs/dbraw/zinc/60/53/21/569605321.db2.gz NTOCRBMSRJCASZ-YXEDODPASA-N 0 0 498.689 5.020 40 30 JKEBRN Fc1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c2ccccc12 ZINC000059488362 569605448 /nfs/dbraw/zinc/60/54/48/569605448.db2.gz NEBUVNVEFSDHKE-CCVNUDIWSA-N 0 0 463.002 8.285 40 30 JKEBRN Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)c(=O)n(C)n1-c1ccccc1 ZINC000059488649 569605606 /nfs/dbraw/zinc/60/56/06/569605606.db2.gz XXBDNPRFAWVBLV-TWKHWXDSSA-N 0 0 495.583 5.527 40 30 JKEBRN COc1ccc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N(CC(C)C)CC(C)C)c2)cc1 ZINC000059489811 569605923 /nfs/dbraw/zinc/60/59/23/569605923.db2.gz JWCBCCSAAXOLGV-MTDXEUNCSA-N 0 0 485.694 5.739 40 30 JKEBRN COC(=O)c1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1 ZINC000059500689 569606140 /nfs/dbraw/zinc/60/61/40/569606140.db2.gz WZKKOKQYBHJSMQ-MZJWZYIUSA-N 0 0 479.941 6.320 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500243 569606160 /nfs/dbraw/zinc/60/61/60/569606160.db2.gz GQTNTAHKNCTLBC-AJBULDERSA-N 0 0 463.968 7.522 40 30 JKEBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503517 569606369 /nfs/dbraw/zinc/60/63/69/569606369.db2.gz UIAYFTQZQYGIIH-FFKKSUQSSA-N 0 0 462.574 7.074 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000059503510 569606407 /nfs/dbraw/zinc/60/64/07/569606407.db2.gz LPNVUEBXQHBWLS-YVADOFBFSA-N 0 0 465.372 6.266 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059514585 569606482 /nfs/dbraw/zinc/60/64/82/569606482.db2.gz XABJPCHBVQTYLJ-UDWIEESQSA-N 0 0 462.443 5.187 40 30 JKEBRN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1Cl ZINC000059523091 569606658 /nfs/dbraw/zinc/60/66/58/569606658.db2.gz HBBBSYGILBVDNC-STEBSUCVSA-N 0 0 485.393 5.299 40 30 JKEBRN COc1cc(Br)cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c1O ZINC000059566788 569606926 /nfs/dbraw/zinc/60/69/26/569606926.db2.gz NOVUJQYHUFRXHK-MLPAPPSSSA-N 0 0 474.163 5.362 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000059566929 569607066 /nfs/dbraw/zinc/60/70/66/569607066.db2.gz VPJRSKJNDXPBSD-XKZIYDEJSA-N 0 0 484.452 7.416 40 30 JKEBRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000059639166 569607142 /nfs/dbraw/zinc/60/71/42/569607142.db2.gz WRTTULKTENIFIS-JJFYIABZSA-N 0 0 458.861 5.718 40 30 JKEBRN CCCCCCCC[C@@](C)(CC)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 ZINC000059663500 569607287 /nfs/dbraw/zinc/60/72/87/569607287.db2.gz XOSSWKPWRIJPRN-MUUNZHRXSA-N 0 0 480.686 5.943 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1 ZINC000059663676 569607339 /nfs/dbraw/zinc/60/73/39/569607339.db2.gz NVOLIHDTGPLRTA-UHFFFAOYSA-N 0 0 474.553 6.677 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(O)cc3)cc2)cc1 ZINC000059663761 569607364 /nfs/dbraw/zinc/60/73/64/569607364.db2.gz IDIAUBRLHSZFIX-UHFFFAOYSA-N 0 0 462.542 6.570 40 30 JKEBRN O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059679381 569607518 /nfs/dbraw/zinc/60/75/18/569607518.db2.gz ODBYJRRLUMISDT-LSHDLFTRSA-N 0 0 461.724 5.477 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720526 569607539 /nfs/dbraw/zinc/60/75/39/569607539.db2.gz ZIJQEFCZDSWSON-HRXXRIAWSA-N 0 0 469.025 7.695 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720538 569607542 /nfs/dbraw/zinc/60/75/42/569607542.db2.gz PQAIBQXERYKRPD-NXYZXBHKSA-N 0 0 457.064 7.617 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720453 569607581 /nfs/dbraw/zinc/60/75/81/569607581.db2.gz FKNOVZSDTLYUGO-CTOFZRSPSA-N 0 0 451.035 7.555 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000059959488 569608218 /nfs/dbraw/zinc/60/82/18/569608218.db2.gz OSQJMUPHYOCYNJ-ONNMZWHZSA-N 0 0 456.546 5.485 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000059958939 569608233 /nfs/dbraw/zinc/60/82/33/569608233.db2.gz HHERLODDWHYXLQ-UHFFFAOYSA-N 0 0 491.027 7.319 40 30 JKEBRN O=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059958888 569608240 /nfs/dbraw/zinc/60/82/40/569608240.db2.gz QQYMRUFVXBZUQE-DZNDYGJHSA-N 0 0 466.522 6.194 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000033535050 569627468 /nfs/dbraw/zinc/62/74/68/569627468.db2.gz HIZBSSVTSQXSSL-LSFURLLWSA-N 0 0 461.212 5.153 40 30 JKEBRN CC1(C)c2ccccc2N(Cc2ccccc2)/C1=C\C=C1\C=C(Br)C=C([N+](=O)[O-])C1=O ZINC000033368758 569625105 /nfs/dbraw/zinc/62/51/05/569625105.db2.gz WLDMOGXSEYHHOU-BBYKLGOBSA-N 0 0 477.358 5.817 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 ZINC000033382709 569625372 /nfs/dbraw/zinc/62/53/72/569625372.db2.gz SCLSQVYZBARTGL-YSURURNPSA-N 0 0 460.814 5.442 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000033380343 569625397 /nfs/dbraw/zinc/62/53/97/569625397.db2.gz XXMGOWTXCSGHFK-NUGSKGIGSA-N 0 0 491.238 5.161 40 30 JKEBRN N#Cc1c(-c2ccccc2)cc(-c2cccc3ccccc32)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000033396942 569625711 /nfs/dbraw/zinc/62/57/11/569625711.db2.gz QJMIKHSSJUHYCZ-UHFFFAOYSA-N 0 0 491.015 8.069 40 30 JKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000033540599 569627666 /nfs/dbraw/zinc/62/76/66/569627666.db2.gz PIQCADORKGIFKP-CYBMUJFWSA-N 0 0 492.388 5.462 40 30 JKEBRN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000033556865 569627790 /nfs/dbraw/zinc/62/77/90/569627790.db2.gz HRTJHQOLBQIKQQ-UHFFFAOYSA-N 0 0 463.390 5.002 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033588028 569628455 /nfs/dbraw/zinc/62/84/55/569628455.db2.gz SILBZOUPUWCNER-UHFFFAOYSA-N 0 0 450.778 7.130 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCC4)sc2C1 ZINC000033600664 569628480 /nfs/dbraw/zinc/62/84/80/569628480.db2.gz LZVVKTKMDMWFNZ-GFCCVEGCSA-N 0 0 494.608 5.799 40 30 JKEBRN CCCOc1cc(Br)c(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC ZINC000033627885 569629121 /nfs/dbraw/zinc/62/91/21/569629121.db2.gz KVZUWNMFTRYCPG-UHFFFAOYSA-N 0 0 488.422 5.680 40 30 JKEBRN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000033649656 569629539 /nfs/dbraw/zinc/62/95/39/569629539.db2.gz DHNOQUYTWCHHOS-UHFFFAOYSA-N 0 0 495.407 5.652 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033654150 569629768 /nfs/dbraw/zinc/62/97/68/569629768.db2.gz WJIPFNJMHRCCLA-ZMFRSBBQSA-N 0 0 487.781 5.979 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033660487 569630124 /nfs/dbraw/zinc/63/01/24/569630124.db2.gz STKSQTVKHLGAHB-OQJTVLEQSA-N 0 0 475.702 7.340 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000033680221 569630739 /nfs/dbraw/zinc/63/07/39/569630739.db2.gz JQNFDPDHHHOGKQ-NMRWETQTSA-N 0 0 452.595 7.023 40 30 JKEBRN CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000033718996 569631698 /nfs/dbraw/zinc/63/16/98/569631698.db2.gz KYQWYQZJKUDASD-UHFFFAOYSA-N 0 0 465.634 6.237 40 30 JKEBRN CCOc1ccccc1/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N ZINC000033717849 569631722 /nfs/dbraw/zinc/63/17/22/569631722.db2.gz YTCLKVFBSYDGDA-UXHLAJHPSA-N 0 0 452.510 6.652 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000033726241 569632312 /nfs/dbraw/zinc/63/23/12/569632312.db2.gz VSXWERJHIKELJS-UHFFFAOYSA-N 0 0 450.608 5.262 40 30 JKEBRN CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000033730213 569632363 /nfs/dbraw/zinc/63/23/63/569632363.db2.gz TVNONWVLEXBVTO-GIBKVHAFSA-N 0 0 459.549 5.196 40 30 JKEBRN CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000033730211 569632427 /nfs/dbraw/zinc/63/24/27/569632427.db2.gz TVNONWVLEXBVTO-XKDHVQBQSA-N 0 0 459.549 5.196 40 30 JKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 ZINC000033731228 569632479 /nfs/dbraw/zinc/63/24/79/569632479.db2.gz QKQRYBAXKPLXEW-UHFFFAOYSA-N 0 0 460.784 6.586 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033741135 569633112 /nfs/dbraw/zinc/63/31/12/569633112.db2.gz HSWXHPJJBYGMEO-BIEDDHLVSA-N 0 0 496.120 7.685 40 30 JKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000033759607 569633804 /nfs/dbraw/zinc/63/38/04/569633804.db2.gz WFDSFQRTLHJRIA-AGPWXHRDSA-N 0 0 486.637 7.300 40 30 JKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1C#N ZINC000033762059 569633987 /nfs/dbraw/zinc/63/39/87/569633987.db2.gz DOEFTDJCGZMGMH-WGARJPEWSA-N 0 0 450.882 5.544 40 30 JKEBRN CN(C)c1ccc(/C=N\N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033782261 569634766 /nfs/dbraw/zinc/63/47/66/569634766.db2.gz VLBYFCRUNOPIOJ-QRAWFLTRSA-N 0 0 478.043 5.102 40 30 JKEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000033864167 569636634 /nfs/dbraw/zinc/63/66/34/569636634.db2.gz AWEVPOPVPAJINJ-MRXNPFEDSA-N 0 0 499.434 5.001 40 30 JKEBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033864471 569636720 /nfs/dbraw/zinc/63/67/20/569636720.db2.gz GBNDQKQRNGYRCW-XKZIYDEJSA-N 0 0 459.596 6.147 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000033911347 569637387 /nfs/dbraw/zinc/63/73/87/569637387.db2.gz VPDMPLYWBIXXMN-MRUKODCESA-N 0 0 486.713 5.302 40 30 JKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000033932452 569637945 /nfs/dbraw/zinc/63/79/45/569637945.db2.gz MTHOMJKKJPYPHK-WTVARKITSA-N 0 0 491.584 5.113 40 30 JKEBRN CC(=O)/C(=N\Nc1ccccc1)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000033958127 569639465 /nfs/dbraw/zinc/63/94/65/569639465.db2.gz HKCQOTLGAMHBLF-NSNXWFFWSA-N 0 0 488.638 5.679 40 30 JKEBRN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)Oc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000034144936 569639665 /nfs/dbraw/zinc/63/96/65/569639665.db2.gz AHTVCUCCYWJVPQ-DSITVLBTSA-N 0 0 451.913 5.347 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000034248643 569639899 /nfs/dbraw/zinc/63/98/99/569639899.db2.gz VATQYYFSJMNJAL-QATLPOCJSA-N 0 0 482.749 7.775 40 30 biogenic JKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000034704620 569649406 /nfs/dbraw/zinc/64/94/06/569649406.db2.gz JWQCSXPJADXHHE-KRWDZBQOSA-N 0 0 479.194 7.908 40 30 JKEBRN CSCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1cc(C)cc(C)c1 ZINC000034762948 569657897 /nfs/dbraw/zinc/65/78/97/569657897.db2.gz OUKJGTRKGIUEAC-POHHJLCXSA-N 0 0 475.477 6.423 40 30 JKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000034857075 569667531 /nfs/dbraw/zinc/66/75/31/569667531.db2.gz BODSRPLOGIAUIM-ROIVJUFGSA-N 0 0 453.394 6.840 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000034871694 569668484 /nfs/dbraw/zinc/66/84/84/569668484.db2.gz LWDQFSSGUNSNSY-RGVLZGJSSA-N 0 0 452.923 5.547 40 30 JKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000034881077 569668840 /nfs/dbraw/zinc/66/88/40/569668840.db2.gz HWDKFHNOUPEISB-HXUWFJFHSA-N 0 0 485.997 5.445 40 30 JKEBRN CC1=C(C(=O)OC23CC4CC(CC(C4)C2)C3)[C@@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O ZINC000034889888 569669152 /nfs/dbraw/zinc/66/91/52/569669152.db2.gz RTZMSNLKULKPLA-UZAJKYPGSA-N 0 0 451.566 5.767 40 30 JKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O ZINC000034910294 569671508 /nfs/dbraw/zinc/67/15/08/569671508.db2.gz MJSCJLIAYHPHCD-YBQHNUSLSA-N 0 0 469.670 6.672 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000035044357 569673939 /nfs/dbraw/zinc/67/39/39/569673939.db2.gz POQFSEKUEOOKQX-UHFFFAOYSA-N 0 0 468.966 5.579 40 30 JKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035086949 569674654 /nfs/dbraw/zinc/67/46/54/569674654.db2.gz BOXJVOIXORDSOA-NRFANRHFSA-N 0 0 465.579 5.100 40 30 JKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035124869 569675112 /nfs/dbraw/zinc/67/51/12/569675112.db2.gz PFVJTSVWDVNFRP-HNNXBMFYSA-N 0 0 461.418 5.863 40 30 JKEBRN N#Cc1cccc(Oc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)c2)c1C#N ZINC000035140501 569675714 /nfs/dbraw/zinc/67/57/14/569675714.db2.gz APEWCGVILLGWGC-MUUNZHRXSA-N 0 0 492.918 6.657 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035147499 569676094 /nfs/dbraw/zinc/67/60/94/569676094.db2.gz HTSLOIFFZDKQBN-XMMPIXPASA-N 0 0 485.471 5.036 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035147501 569676151 /nfs/dbraw/zinc/67/61/51/569676151.db2.gz HTSLOIFFZDKQBN-DEOSSOPVSA-N 0 0 485.471 5.036 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164034 569676394 /nfs/dbraw/zinc/67/63/94/569676394.db2.gz UWEABTLWEDCDSD-BVEXFFHSSA-N 0 0 492.575 5.706 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164037 569676406 /nfs/dbraw/zinc/67/64/06/569676406.db2.gz UWEABTLWEDCDSD-MEQIQYKBSA-N 0 0 492.575 5.706 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164178 569676422 /nfs/dbraw/zinc/67/64/22/569676422.db2.gz LYZIXLDZUXGKGD-HSZRJFAPSA-N 0 0 492.984 5.712 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3cccs3)c2c1 ZINC000035164105 569676436 /nfs/dbraw/zinc/67/64/36/569676436.db2.gz HMOZOMVZDJFSSI-UBWSOHEKSA-N 0 0 484.577 5.459 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035164295 569676537 /nfs/dbraw/zinc/67/65/37/569676537.db2.gz CDKXZBIZIUVKMA-MHZLTWQESA-N 0 0 484.527 5.066 40 30 JKEBRN C=C(C)C(=O)OCCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c2c34)c1=O ZINC000065743190 569676636 /nfs/dbraw/zinc/67/66/36/569676636.db2.gz XNJOKDMYYIVABO-UHFFFAOYSA-N 0 0 471.578 6.000 40 30 in-vitro JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)c2c1 ZINC000035164954 569676764 /nfs/dbraw/zinc/67/67/64/569676764.db2.gz VAOGMABKNYCUTO-AREMUKBSSA-N 0 0 466.537 5.306 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164899 569676791 /nfs/dbraw/zinc/67/67/91/569676791.db2.gz KJNQTMVAYCTPHD-HHHXNRCGSA-N 0 0 480.564 5.560 40 30 JKEBRN CC(C)COC(=O)[C@H]1/C(=N/N=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@@H]1c1ccccc1 ZINC000066088776 569676835 /nfs/dbraw/zinc/67/68/35/569676835.db2.gz JVOVXAZRZDOUNA-ADFGWHPRSA-N 0 0 482.624 6.024 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)c2c1 ZINC000035164957 569676839 /nfs/dbraw/zinc/67/68/39/569676839.db2.gz VAOGMABKNYCUTO-SANMLTNESA-N 0 0 466.537 5.306 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(Cl)cc3Cl)c2c1 ZINC000035164843 569676842 /nfs/dbraw/zinc/67/68/42/569676842.db2.gz TZWPNTMOLNNDFD-NRFANRHFSA-N 0 0 459.329 5.010 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035165131 569676899 /nfs/dbraw/zinc/67/68/99/569676899.db2.gz AGZUGYRVAJCZIF-MHZLTWQESA-N 0 0 498.554 5.699 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035165008 569676923 /nfs/dbraw/zinc/67/69/23/569676923.db2.gz KGEFXKCNTQCUTK-SANMLTNESA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3F)c2c1 ZINC000035165010 569676933 /nfs/dbraw/zinc/67/69/33/569676933.db2.gz HONNOGVIWSRMMJ-AREMUKBSSA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3F)c2c1 ZINC000035165013 569676935 /nfs/dbraw/zinc/67/69/35/569676935.db2.gz HONNOGVIWSRMMJ-SANMLTNESA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035165004 569676951 /nfs/dbraw/zinc/67/69/51/569676951.db2.gz RRAAZSAUVHXEJH-SANMLTNESA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035165117 569676953 /nfs/dbraw/zinc/67/69/53/569676953.db2.gz HXEPDWMHINKSPA-VWLOTQADSA-N 0 0 488.490 5.276 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035165015 569676993 /nfs/dbraw/zinc/67/69/93/569676993.db2.gz KEELZUDTRWPZKO-MUUNZHRXSA-N 0 0 494.591 5.868 40 30 JKEBRN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccc(C)cc2)cc1 ZINC000035165285 569676995 /nfs/dbraw/zinc/67/69/95/569676995.db2.gz YTTWEQQPFKEFKB-HHHXNRCGSA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccs3)c2c1 ZINC000035165213 569676997 /nfs/dbraw/zinc/67/69/97/569676997.db2.gz SRNIUXXTAORRHB-HSZRJFAPSA-N 0 0 492.984 5.712 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000066091518 569677094 /nfs/dbraw/zinc/67/70/94/569677094.db2.gz QZCFCGNCEJPVQV-XMMPIXPASA-N 0 0 459.546 5.454 40 30 JKEBRN CCOC1=C2C(=C(N(CC)CC)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000068568580 569691258 /nfs/dbraw/zinc/69/12/58/569691258.db2.gz UKTTUCWOXGYCBQ-UHFFFAOYSA-N 0 0 465.278 5.712 40 30 JKEBRN CCCCCCCCCCCCCCCCCOC(=O)c1ccc(/C=N/c2ccc(F)cc2)c(O)c1 ZINC000068603584 569691478 /nfs/dbraw/zinc/69/14/78/569691478.db2.gz HWUMPHOIQYGARO-INKHBPHZSA-N 0 0 497.695 9.310 40 30 JKEBRN CCCCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2cccc(Cl)c2)c(O)c1 ZINC000068603671 569691557 /nfs/dbraw/zinc/69/15/57/569691557.db2.gz YKQRBXKXKPQLBD-XHLNEMQHSA-N 0 0 458.042 8.403 40 30 JKEBRN CSC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccccc1 ZINC000071195180 569696043 /nfs/dbraw/zinc/69/60/43/569696043.db2.gz HOXILOMWCAKQHJ-OAQYLSRUSA-N 0 0 479.945 5.977 40 30 JKEBRN CSC1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)NC(=O)N1c1ccccc1 ZINC000071195181 569696125 /nfs/dbraw/zinc/69/61/25/569696125.db2.gz KNLCMAFWOOLUPU-NRFANRHFSA-N 0 0 479.399 6.178 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3cc(C)c(Cl)c(C)c3)c(C)c2s1 ZINC000072228850 569700547 /nfs/dbraw/zinc/70/05/47/569700547.db2.gz FBKIQCLCXCMWLX-DICXZTSXSA-N 0 0 459.015 6.399 40 30 JKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000072228874 569700666 /nfs/dbraw/zinc/70/06/66/569700666.db2.gz WVPYGJCLXXJQHS-ZDUSSCGKSA-N 0 0 465.406 6.434 40 30 JKEBRN CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3cccc(C)c3)CC2)s1 ZINC000072230169 569700864 /nfs/dbraw/zinc/70/08/64/569700864.db2.gz BPYHFFKMFCMWOJ-WGOQTCKBSA-N 0 0 456.015 5.418 40 30 JKEBRN CCc1ccc(C(=O)N2CCN(c3c4nc(N=NC(C)C)sc4ccc3Cl)CC2)cc1 ZINC000072230154 569700866 /nfs/dbraw/zinc/70/08/66/569700866.db2.gz SZCXYBOBTJIQLR-UHFFFAOYSA-N 0 0 456.015 5.282 40 30 JKEBRN CC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)s1 ZINC000072230257 569700961 /nfs/dbraw/zinc/70/09/61/569700961.db2.gz LOTYOLPKAIPVCF-UHFFFAOYSA-N 0 0 496.851 6.027 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000035645863 569705897 /nfs/dbraw/zinc/70/58/97/569705897.db2.gz NIVGQVXNSXJVNP-OEAKJJBVSA-N 0 0 482.964 6.348 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035646729 569705899 /nfs/dbraw/zinc/70/58/99/569705899.db2.gz KZYIAPFSAQZUST-YVLHZVERSA-N 0 0 460.298 6.053 40 30 JKEBRN Cc1ccc(/N=C(\c2ccc([N+](=O)[O-])cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 ZINC000035681322 569706663 /nfs/dbraw/zinc/70/66/63/569706663.db2.gz XQQWGMLRVSYUID-ORIPQNMZSA-N 0 0 494.507 6.545 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000083292832 569708380 /nfs/dbraw/zinc/70/83/80/569708380.db2.gz SCLBBZKIZOJJFO-MYYYXRDXSA-N 0 0 486.618 5.937 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000083309961 569708483 /nfs/dbraw/zinc/70/84/83/569708483.db2.gz LZWDTKNFRNEIKZ-MOSHPQCFSA-N 0 0 499.377 5.590 40 30 JKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 ZINC000083316773 569708595 /nfs/dbraw/zinc/70/85/95/569708595.db2.gz RGEWACVHNSWFHO-NHDPSOOVSA-N 0 0 457.382 6.630 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4Cl)NC3=O)cc2)c1 ZINC000083328624 569708744 /nfs/dbraw/zinc/70/87/44/569708744.db2.gz BPZUXYAZZJVBFZ-BKUYFWCQSA-N 0 0 469.393 6.772 40 30 JKEBRN O=C(/C=C/c1ccccc1)C[C@@H](c1ccccc1)[C@@H](CC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000090624678 569721080 /nfs/dbraw/zinc/72/10/80/569721080.db2.gz WPCZNBIAAISDAR-FAUPTEANSA-N 0 0 470.612 7.899 40 30 JKEBRN CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000095346029 569722186 /nfs/dbraw/zinc/72/21/86/569722186.db2.gz GCGPCCBFTOUOSH-QVCLBHBZSA-N 0 0 468.770 7.802 40 30 JKEBRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000095346028 569722230 /nfs/dbraw/zinc/72/22/30/569722230.db2.gz GCGPCCBFTOUOSH-BCIHRMBNSA-N 0 0 468.770 7.802 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1 ZINC000095671198 569728464 /nfs/dbraw/zinc/72/84/64/569728464.db2.gz VMNRZBDGGQYZPX-UHFFFAOYSA-N 0 0 462.209 6.272 40 30 JKEBRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC(C=O)=C(O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095949898 569731489 /nfs/dbraw/zinc/73/14/89/569731489.db2.gz UUNHONFHQDYGRZ-GHNJYOSKSA-N 0 0 496.732 7.582 40 30 JKEBRN C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC ZINC000096023587 569731850 /nfs/dbraw/zinc/73/18/50/569731850.db2.gz MOEVEIGHSLNJAI-RRXMTBKISA-N 0 0 452.723 8.292 40 30 biogenic JKEBRN CCOc1cc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(O)c(OCC)c4)cc3)cc2)ccc1O ZINC000096310121 569740160 /nfs/dbraw/zinc/74/01/60/569740160.db2.gz JOGSURFGXAFYFU-GKTLAHRSSA-N 0 0 480.564 7.063 40 30 JKEBRN COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4OC)cc3)cc2)c(OC)c1 ZINC000096310120 569740190 /nfs/dbraw/zinc/74/01/90/569740190.db2.gz WRPBHXMACXUNQJ-GKTLAHRSSA-N 0 0 480.564 6.889 40 30 JKEBRN CCCCCOc1ccc(/C=N/c2ccc(/N=C\c3ccc(OCCCCC)cc3)cc2Cl)cc1 ZINC000096593005 569742124 /nfs/dbraw/zinc/74/21/24/569742124.db2.gz YQLPULFVUJRTHY-BDZLSRGKSA-N 0 0 491.075 8.979 40 30 JKEBRN CCCCCOc1ccc(/C=N/c2ccc(/N=C\c3ccc(OCCCCC)cc3)c(Cl)c2)cc1 ZINC000096593004 569742144 /nfs/dbraw/zinc/74/21/44/569742144.db2.gz YQLPULFVUJRTHY-GDKZQGERSA-N 0 0 491.075 8.979 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=N)S1 ZINC000097964954 569748025 /nfs/dbraw/zinc/74/80/25/569748025.db2.gz TVYWBTPTSWROBH-YRKOIEFQSA-N 0 0 477.634 6.082 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4Cl)c3C)C2=N)S1 ZINC000097964966 569748071 /nfs/dbraw/zinc/74/80/71/569748071.db2.gz BUEYEDXFYOSQIB-NJIOILOSSA-N 0 0 496.080 7.036 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C2=N)S1 ZINC000097964960 569748077 /nfs/dbraw/zinc/74/80/77/569748077.db2.gz FVCXNIOOYBTHRJ-XIFKCTFISA-N 0 0 482.053 6.727 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1 ZINC000097964962 569748097 /nfs/dbraw/zinc/74/80/97/569748097.db2.gz BOCZMPVTYUBFSR-VKPUNFQASA-N 0 0 465.598 6.213 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000097997051 569749056 /nfs/dbraw/zinc/74/90/56/569749056.db2.gz LNXYVRKONSXUKZ-ZGLCYIBRSA-N 0 0 498.701 6.407 40 30 JKEBRN CCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)OCCCCCCCC ZINC000098001429 569749246 /nfs/dbraw/zinc/74/92/46/569749246.db2.gz JXPLTDYVIWSARF-UHFFFAOYSA-N 0 0 484.766 8.281 40 30 JKEBRN CCCCCCCCCCn1c2ccccc2nc1[C@@H](CCSC)NC(=O)c1ccccc1 ZINC000098005929 569749505 /nfs/dbraw/zinc/74/95/05/569749505.db2.gz WMXXDSJGFGYADC-RUZDIDTESA-N 0 0 465.707 7.401 40 30 JKEBRN CCCCCCCCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N ZINC000098003590 569749527 /nfs/dbraw/zinc/74/95/27/569749527.db2.gz GDSMBTPDBQTVQX-UHFFFAOYSA-N 0 0 486.725 9.309 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(C)=O)cc2)c1O ZINC000098085887 569750364 /nfs/dbraw/zinc/75/03/64/569750364.db2.gz YDFUFFJFCBJFJC-AWQFTUOYSA-N 0 0 456.134 5.025 40 30 JKEBRN FC(F)[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100048617 569751957 /nfs/dbraw/zinc/75/19/57/569751957.db2.gz TVJLUYIVQMZQPH-REOHCLBHSA-N 0 0 470.069 6.261 40 30 JKEBRN O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100055886 569752053 /nfs/dbraw/zinc/75/20/53/569752053.db2.gz OOCKERZMMJCAEU-SHSCQTOKSA-N 0 0 463.400 6.122 40 30 JKEBRN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(/N=C/c2ccccc2F)ccc1N1CCCCC1 ZINC000100084605 569752630 /nfs/dbraw/zinc/75/26/30/569752630.db2.gz UPCYMNYWTYLIJP-OGLMXYFKSA-N 0 0 473.658 5.869 40 30 JKEBRN CCOP1(OCC)(OCC)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1 ZINC000100085513 569752638 /nfs/dbraw/zinc/75/26/38/569752638.db2.gz UNAIUQWMWHGTOF-UHFFFAOYSA-N 0 0 498.197 5.998 40 30 JKEBRN C[C@H](Sc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)C(=O)Nc1nccs1 ZINC000100097181 569752861 /nfs/dbraw/zinc/75/28/61/569752861.db2.gz PAMBTIYQFRVILZ-QPDIMOPTSA-N 0 0 493.466 6.930 40 30 JKEBRN C[C@H](Sc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1)C(=O)Nc1nccs1 ZINC000100097272 569752873 /nfs/dbraw/zinc/75/28/73/569752873.db2.gz FKZRFGMNDLYFFA-JUCPORTRSA-N 0 0 490.635 6.482 40 30 JKEBRN CCCCCCCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1 ZINC000100095874 569752876 /nfs/dbraw/zinc/75/28/76/569752876.db2.gz XQAABEDPVQWFPN-UHFFFAOYSA-N 0 0 451.611 6.260 40 30 JKEBRN C[C@@H](Sc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1)C(=O)Nc1nccs1 ZINC000100097196 569752891 /nfs/dbraw/zinc/75/28/91/569752891.db2.gz JLLJYJXNXSABCH-BPDROILWSA-N 0 0 477.011 6.415 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000100104382 569752994 /nfs/dbraw/zinc/75/29/94/569752994.db2.gz MRITUUVZUGTMRL-NJZRLIGZSA-N 0 0 457.533 7.779 40 30 JKEBRN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116827 569753316 /nfs/dbraw/zinc/75/33/16/569753316.db2.gz LPAGGHLXRNVBFF-OGLMXYFKSA-N 0 0 455.583 7.521 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 ZINC000100132003 569753396 /nfs/dbraw/zinc/75/33/96/569753396.db2.gz TUDVQBGEWZZUMK-RUMWWMSVSA-N 0 0 471.560 8.087 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000100138434 569753677 /nfs/dbraw/zinc/75/36/77/569753677.db2.gz UBYANFZYFFOOGS-BQDPPGCGSA-N 0 0 485.008 8.025 40 30 JKEBRN Cc1ccc(/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc32)cc1 ZINC000100138481 569753728 /nfs/dbraw/zinc/75/37/28/569753728.db2.gz IZFQTXSELLYSOG-MUFRIFMGSA-N 0 0 455.966 7.986 40 30 JKEBRN CCCCCCCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000100141737 569753735 /nfs/dbraw/zinc/75/37/35/569753735.db2.gz UBSGUVUAKNPLKL-UHFFFAOYSA-N 0 0 488.653 7.292 40 30 JKEBRN Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1C ZINC000100145858 569753860 /nfs/dbraw/zinc/75/38/60/569753860.db2.gz FSRCQGASYZMPTO-QNKGDIEWSA-N 0 0 461.008 8.832 40 30 JKEBRN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N/c1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000100150521 569754097 /nfs/dbraw/zinc/75/40/97/569754097.db2.gz NCFPTHZMACOZBS-HIDJJAHFSA-N 0 0 483.597 5.134 40 30 JKEBRN CCCCCCc1ccc(C(=O)Oc2ccc(/C=N\c3ncc(CCCCC)s3)cc2)cc1 ZINC000100165351 569754513 /nfs/dbraw/zinc/75/45/13/569754513.db2.gz VZMZTDHVRDZJSI-BRPDVVIDSA-N 0 0 462.659 7.968 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCCCCCC ZINC000100166738 569754519 /nfs/dbraw/zinc/75/45/19/569754519.db2.gz UGHVFDVVZRNMHY-NXVVXOECSA-N 0 0 450.792 10.488 40 30 JKEBRN CCCCCCCCCCCC(=NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000100166641 569754521 /nfs/dbraw/zinc/75/45/21/569754521.db2.gz MZTXPPBJSOIDIU-WGPBWIAQSA-N 0 0 476.583 8.888 40 30 JKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)c1O ZINC000100248104 569756215 /nfs/dbraw/zinc/75/62/15/569756215.db2.gz WKWGDQOPYMNDNM-UVHMKAGCSA-N 0 0 480.280 7.115 40 30 JKEBRN CC/N=C1\S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC ZINC000100248935 569756223 /nfs/dbraw/zinc/75/62/23/569756223.db2.gz BVZCPGLETPLIRM-CRUFNBOHSA-N 0 0 490.379 5.248 40 30 JKEBRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 ZINC000100245078 569756241 /nfs/dbraw/zinc/75/62/41/569756241.db2.gz ZOJMSRGGPBFXDP-TYPSIBJGSA-N 0 0 499.942 5.738 40 30 JKEBRN CC(C)[C@H]1NC(=O)O[C@H]1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100251426 569756309 /nfs/dbraw/zinc/75/63/09/569756309.db2.gz KIONFYCZIQVYKJ-NKWVEPMBSA-N 0 0 475.245 5.638 40 30 JKEBRN CN(C)c1ccc(/C=N/c2ccc3nc(SCc4nc5ccccc5[nH]4)sc3c2)cc1[N+](=O)[O-] ZINC000100252170 569756318 /nfs/dbraw/zinc/75/63/18/569756318.db2.gz QSBLEVQQJXKOSV-DHRITJCHSA-N 0 0 488.598 6.190 40 30 JKEBRN Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C(=O)/C2=C/c2ccccc2)cc1 ZINC000100253252 569756403 /nfs/dbraw/zinc/75/64/03/569756403.db2.gz YONGLBOFWMKHCB-DIBXZPPDSA-N 0 0 451.547 6.095 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OCC)c1OC ZINC000100275619 569756625 /nfs/dbraw/zinc/75/66/25/569756625.db2.gz HCJPVYJWAKRURS-RZZGQMAMSA-N 0 0 452.576 5.073 40 30 JKEBRN COC(=O)c1cccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)c1 ZINC000100278540 569756721 /nfs/dbraw/zinc/75/67/21/569756721.db2.gz ASPYMPXKOYHAAG-MNBJERMJSA-N 0 0 498.604 6.354 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000100287160 569756839 /nfs/dbraw/zinc/75/68/39/569756839.db2.gz CBBCNDPZNFMWTD-HUOZHCEOSA-N 0 0 459.527 5.276 40 30 JKEBRN CCCCCCCCCCCC(=O)OCCNC(=O)COC(=O)CCCCCCCCCCC ZINC000100302688 569757103 /nfs/dbraw/zinc/75/71/03/569757103.db2.gz HIIDBCWISJPGSI-UHFFFAOYSA-N 0 0 483.734 7.031 40 30 JKEBRN CCCCCCCCCC1OC(CCCCCCCCC)OC(CCCCCCCCC)O1 ZINC000100301420 569757114 /nfs/dbraw/zinc/75/71/14/569757114.db2.gz FJDKHMPCIIRUHO-UHFFFAOYSA-N 0 0 468.807 10.450 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC ZINC000100311174 569757222 /nfs/dbraw/zinc/75/72/22/569757222.db2.gz OXPCWUWUWIWSGI-MSUUIHNZSA-N 0 0 450.792 10.488 40 30 JKEBRN COc1ccc(/N=C/c2ccc(Sc3nnc(-c4ccccc4)n3C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000100332882 569757558 /nfs/dbraw/zinc/75/75/58/569757558.db2.gz HIXPSSOLGPWGMN-MFKUBSTISA-N 0 0 475.530 5.309 40 30 JKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(N(CC)CC)cc1 ZINC000100356850 569757944 /nfs/dbraw/zinc/75/79/44/569757944.db2.gz CHQDFSAVLNANTL-JVCXMKTPSA-N 0 0 474.803 7.812 40 30 JKEBRN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000100367520 569758237 /nfs/dbraw/zinc/75/82/37/569758237.db2.gz JKHRYRSKESKJMY-UHFFFAOYSA-N 0 0 494.244 6.138 40 30 JKEBRN COc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 ZINC000100369572 569758291 /nfs/dbraw/zinc/75/82/91/569758291.db2.gz KOSVHHGFLNNESU-NJZRLIGZSA-N 0 0 473.532 7.479 40 30 JKEBRN C=C([NH+]=C1C=CC(=NNc2ccccc2)C=C1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370491 569758299 /nfs/dbraw/zinc/75/82/99/569758299.db2.gz OYQLRCHUZXTKDK-DYYBZEKYSA-N 0 0 458.521 7.252 40 30 JKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000100388093 569758562 /nfs/dbraw/zinc/75/85/62/569758562.db2.gz FEMWDZFTRSEGMK-BRJLIKDPSA-N 0 0 495.719 6.422 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000036253955 569758614 /nfs/dbraw/zinc/75/86/14/569758614.db2.gz YGECXPHADDPKLR-VNSNFZHPSA-N 0 0 482.809 5.870 40 30 JKEBRN Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(Cl)c3)c2-c2ccccc2)cc1 ZINC000100396883 569758881 /nfs/dbraw/zinc/75/88/81/569758881.db2.gz OOOQSWCBVVDIMY-UZWMFBFFSA-N 0 0 467.399 8.869 40 30 JKEBRN Clc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000100397874 569758908 /nfs/dbraw/zinc/75/89/08/569758908.db2.gz BNSRSQATXZWYSN-UZWMFBFFSA-N 0 0 467.399 8.869 40 30 JKEBRN O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000100413585 569759334 /nfs/dbraw/zinc/75/93/34/569759334.db2.gz MNFYUHKOUJCYOY-OCSSWDANSA-N 0 0 482.605 7.828 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccccc3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000100405962 569759382 /nfs/dbraw/zinc/75/93/82/569759382.db2.gz NPWVEBLIXDOKME-UVHMKAGCSA-N 0 0 471.529 6.797 40 30 JKEBRN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)c1ccc(F)cc1 ZINC000100411773 569759424 /nfs/dbraw/zinc/75/94/24/569759424.db2.gz HMTJHLFNWRAFEN-KBKYJPHKSA-N 0 0 475.397 7.468 40 30 JKEBRN CCCCCCCCCC[C@H](CSCCCCCC)OCCOCCSCCCCCC ZINC000100923914 569776041 /nfs/dbraw/zinc/77/60/41/569776041.db2.gz ZRQAJENJYABXND-MUUNZHRXSA-N 0 0 490.904 9.546 40 30 JKEBRN Cc1ccc2nc(-c3ccc(/N=C4\c5cc(C)cc6c5N(C4=O)C(C)(C)C=C6C)cc3)sc2c1 ZINC000100417554 569759839 /nfs/dbraw/zinc/75/98/39/569759839.db2.gz ARWIVEMBNMEGDF-QCWLDUFUSA-N 0 0 463.606 7.243 40 30 JKEBRN 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CCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000100611977 569765566 /nfs/dbraw/zinc/76/55/66/569765566.db2.gz SGYJSKNZLWYOIF-OAHLLOKOSA-N 0 0 459.270 5.799 40 30 JKEBRN CCCCCCCOc1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1 ZINC000100615202 569765597 /nfs/dbraw/zinc/76/55/97/569765597.db2.gz VOODIMZHMWSBJG-RDRPBHBLSA-N 0 0 456.512 6.958 40 30 JKEBRN FC(F)(F)c1ccc(N=CC=C(Nc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)cc1 ZINC000100662068 569766233 /nfs/dbraw/zinc/76/62/33/569766233.db2.gz HMTZIDZHYMGKOJ-GPEUIORVSA-N 0 0 468.828 8.233 40 30 JKEBRN c1ccc(/N=C2\C=CC3=N[C@@]4(c5ccccc5)C[C@H](c5ccccc5)C=C(c5ccccc5)N4C3=C2)cc1 ZINC000100707916 569767369 /nfs/dbraw/zinc/76/73/69/569767369.db2.gz SXLNDPHCVCMBHL-YCKMARDXSA-N 0 0 489.622 8.051 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCCC3)[C@]12C#N ZINC000100799368 569770370 /nfs/dbraw/zinc/77/03/70/569770370.db2.gz JSRDAVDOPIOHGL-DMDYGQEQSA-N 0 0 493.746 6.270 40 30 JKEBRN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000100859863 569772620 /nfs/dbraw/zinc/77/26/20/569772620.db2.gz DMBQCQDTTKTBSE-UOODYVSWSA-N 0 0 480.387 5.614 40 30 JKEBRN F[C@@H](C(F)(F)F)C(F)(F)C12CC3(F)CC(F)(C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000100858019 569772632 /nfs/dbraw/zinc/77/26/32/569772632.db2.gz QRFOUMBJIXTMMF-UNLJOLLSSA-N 0 0 472.260 6.829 40 30 JKEBRN C=CCSc1nc2c(c(-c3ccccc3)c1C#N)C[C@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000036367465 569773120 /nfs/dbraw/zinc/77/31/20/569773120.db2.gz KURWASYTAYGDNT-NOMLIQIXSA-N 0 0 482.737 8.345 40 30 JKEBRN CCOC(=O)NC(C(F)(F)C(F)(F)C(F)(F)C(F)F)=P(O)(N(CC)CC)N(CC)CC ZINC000100923312 569775956 /nfs/dbraw/zinc/77/59/56/569775956.db2.gz JPLOEGWUTSYTTQ-LBPRGKRZSA-N 0 0 493.376 5.106 40 30 JKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000036478557 569776172 /nfs/dbraw/zinc/77/61/72/569776172.db2.gz ZYHWECKWWKGCQY-MSXFZWOLSA-N 0 0 474.286 5.530 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)/C=C/C(=O)c2ccc(OCCCCCCCC)cc2)cc1 ZINC000100930386 569776324 /nfs/dbraw/zinc/77/63/24/569776324.db2.gz FTJZYSUQOZAWDU-WCWDXBQESA-N 0 0 492.700 8.787 40 30 JKEBRN CCCCCCCCCCCCCCCCN1CCc2c1n1c3ccccc3nc1c(C#N)c2C ZINC000100933395 569776468 /nfs/dbraw/zinc/77/64/68/569776468.db2.gz GDVNLRDGZKBJQY-UHFFFAOYSA-N 0 0 472.721 8.511 40 30 JKEBRN Cc1ccc([N-][NH+]=C2C=CC(=O)C(C=Nc3cccc(-c4nc5cc(C)c(C)cc5o4)c3)=C2)cc1C ZINC000100935924 569776554 /nfs/dbraw/zinc/77/65/54/569776554.db2.gz DABUZDUOEYOZIN-DAQBEKOVSA-N 0 0 474.564 8.600 40 30 JKEBRN CCCCCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(C)ccc1O ZINC000100943850 569777080 /nfs/dbraw/zinc/77/70/80/569777080.db2.gz YOOUJMYFDBTPJT-XTCLZLMSSA-N 0 0 470.570 7.254 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000100953495 569777771 /nfs/dbraw/zinc/77/77/71/569777771.db2.gz QSKGIYXYULYGAZ-JIAMHWFNSA-N 0 0 463.375 7.535 40 30 JKEBRN O=C(OC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000036612647 569777945 /nfs/dbraw/zinc/77/79/45/569777945.db2.gz JGUVUIWDBOUQGK-UHFFFAOYSA-N 0 0 495.556 5.300 40 30 JKEBRN Cc1ccc(S(=O)(=O)N[C@@H]2CCCCCCCCCC/C2=N/OC(=O)Cc2ccccc2)cc1 ZINC000100967805 569777957 /nfs/dbraw/zinc/77/79/57/569777957.db2.gz IAUDNSMPWMMBEZ-ZERANXOCSA-N 0 0 484.662 5.698 40 30 JKEBRN C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Br)cc2)S/C1=N/c1cccc2ccccc21 ZINC000100971563 569778099 /nfs/dbraw/zinc/77/80/99/569778099.db2.gz JDFCZQDKOFPWGJ-GLOZLRHISA-N 0 0 479.399 5.993 40 30 JKEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100992100 569778671 /nfs/dbraw/zinc/77/86/71/569778671.db2.gz KEPKLFDHYQQSBL-OVJLLXBISA-N 0 0 478.799 5.249 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000101007288 569778969 /nfs/dbraw/zinc/77/89/69/569778969.db2.gz OOTDXNSEHZZMPT-HSZRJFAPSA-N 0 0 466.607 6.121 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 ZINC000101007448 569778992 /nfs/dbraw/zinc/77/89/92/569778992.db2.gz NLHOKYCFGGZCHC-JOCHJYFZSA-N 0 0 495.561 5.741 40 30 JKEBRN C[C@@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N)c1ccccc1 ZINC000036628044 569779042 /nfs/dbraw/zinc/77/90/42/569779042.db2.gz MXMMSHPFYPARLP-LJQANCHMSA-N 0 0 484.581 5.133 40 30 JKEBRN CCCCCCCCOc1ccc(C=C2SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC ZINC000101011267 569779109 /nfs/dbraw/zinc/77/91/09/569779109.db2.gz AOJVZWRYPSORSH-UQQQWYQISA-N 0 0 497.682 7.043 40 30 JKEBRN N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036628866 569779173 /nfs/dbraw/zinc/77/91/73/569779173.db2.gz MTJVBSBFAOSNMY-VMPITWQZSA-N 0 0 487.774 5.639 40 30 JKEBRN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)Cc4cccc5ccccc54)CC3)o2)cc1 ZINC000036629160 569779245 /nfs/dbraw/zinc/77/92/45/569779245.db2.gz LFEFROAYJSUROO-NTCAYCPXSA-N 0 0 492.579 5.160 40 30 JKEBRN Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3ccc(C(C)(C)C)cc3)nc2C#N)CC1 ZINC000036629205 569779359 /nfs/dbraw/zinc/77/93/59/569779359.db2.gz LTOKWNIIUYMQEY-SDNWHVSQSA-N 0 0 454.574 5.285 40 30 JKEBRN 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570015181 /nfs/dbraw/zinc/01/51/81/570015181.db2.gz MOWFWNRHYALFIT-WUXMJOGZSA-N 0 0 486.203 6.995 40 30 JKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000408691916 570015209 /nfs/dbraw/zinc/01/52/09/570015209.db2.gz XXNSHEZTHDEHKA-RIYZIHGNSA-N 0 0 451.360 6.631 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3n2CC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408692430 570015452 /nfs/dbraw/zinc/01/54/52/570015452.db2.gz MGTYMRFQGWSEHT-WGOQTCKBSA-N 0 0 459.506 5.388 40 30 JKEBRN CCn1c2ccccc2nc1NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408692553 570015467 /nfs/dbraw/zinc/01/54/67/570015467.db2.gz PEVGFVVVNAKWIA-CCVNUDIWSA-N 0 0 462.384 6.812 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3n2CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408692528 570015476 /nfs/dbraw/zinc/01/54/76/570015476.db2.gz OMDVOBBODHMGCB-RWPZCVJISA-N 0 0 483.399 6.787 40 30 JKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408692460 570015548 /nfs/dbraw/zinc/01/55/48/570015548.db2.gz MZGGOYRRHRPJQU-STBIYBPSSA-N 0 0 499.412 6.997 40 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CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1 ZINC000408720874 570026663 /nfs/dbraw/zinc/02/66/63/570026663.db2.gz GRVYVTVUPMMMEQ-ZEHKLFRWSA-N 0 0 457.599 6.350 40 30 JKEBRN O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc21 ZINC000408721400 570026842 /nfs/dbraw/zinc/02/68/42/570026842.db2.gz QKTIRISMMMHUBT-LGJNPRDNSA-N 0 0 459.845 6.617 40 30 JKEBRN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(N(C)C)cc2)ccc1O ZINC000408721367 570026852 /nfs/dbraw/zinc/02/68/52/570026852.db2.gz QDUBQAJSONZCDM-DHRITJCHSA-N 0 0 465.351 5.295 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccc(Br)cn43)o2)cc1 ZINC000408721616 570026975 /nfs/dbraw/zinc/02/69/75/570026975.db2.gz VPTABDUWBGUCRB-WYMPLXKRSA-N 0 0 477.274 6.276 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1 ZINC000408722006 570027138 /nfs/dbraw/zinc/02/71/38/570027138.db2.gz OBOZLJYGKQMJIU-DWSOQSMHSA-N 0 0 496.610 6.565 40 30 JKEBRN CCCCOc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 ZINC000408722034 570027142 /nfs/dbraw/zinc/02/71/42/570027142.db2.gz CFSJTKJBHBRZDM-SGEDCAFJSA-N 0 0 460.530 6.194 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722253 570027157 /nfs/dbraw/zinc/02/71/57/570027157.db2.gz FWBZXKHZDYMYJC-MZJWZYIUSA-N 0 0 482.392 8.005 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408721946 570027220 /nfs/dbraw/zinc/02/72/20/570027220.db2.gz BPPONTIPQORJPZ-MFKUBSTISA-N 0 0 458.499 6.607 40 30 JKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722379 570027262 /nfs/dbraw/zinc/02/72/62/570027262.db2.gz HZNKVXZECDXPQD-MTDXEUNCSA-N 0 0 471.582 7.623 40 30 JKEBRN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1 ZINC000408722501 570027295 /nfs/dbraw/zinc/02/72/95/570027295.db2.gz UUOLJEWTBDQMPE-TXAGPFMXSA-N 0 0 496.610 6.565 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722574 570027309 /nfs/dbraw/zinc/02/73/09/570027309.db2.gz LAFMHLGKKIOCPP-JVWAILMASA-N 0 0 457.555 7.268 40 30 JKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722473 570027337 /nfs/dbraw/zinc/02/73/37/570027337.db2.gz JHIKZEFEEHARTC-OVVQPSECSA-N 0 0 457.555 7.315 40 30 JKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1OC ZINC000408722984 570027405 /nfs/dbraw/zinc/02/74/05/570027405.db2.gz PCDCZNODOQHKIJ-VULFUBBASA-N 0 0 479.945 6.807 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722913 570027457 /nfs/dbraw/zinc/02/74/57/570027457.db2.gz OGJGDPUJGKATSY-MFKUBSTISA-N 0 0 458.499 6.607 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3cccc(OC)c3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723136 570027487 /nfs/dbraw/zinc/02/74/87/570027487.db2.gz QPEZNDVVMQCNCD-CVKSISIWSA-N 0 0 459.527 6.413 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000408723607 570027506 /nfs/dbraw/zinc/02/75/06/570027506.db2.gz XVSOFMQNRZUWBX-JFLMPSFJSA-N 0 0 489.553 6.470 40 30 JKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408723221 570027521 /nfs/dbraw/zinc/02/75/21/570027521.db2.gz RJIZJFQXDLGQJZ-MTDXEUNCSA-N 0 0 487.581 7.323 40 30 JKEBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408723323 570027523 /nfs/dbraw/zinc/02/75/23/570027523.db2.gz QRFQYGWWWYFYGD-LQKURTRISA-N 0 0 453.454 6.161 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(OC)cc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723608 570027544 /nfs/dbraw/zinc/02/75/44/570027544.db2.gz XWCFRJGLNCOCLS-JVWAILMASA-N 0 0 473.554 6.716 40 30 JKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000408723143 570027568 /nfs/dbraw/zinc/02/75/68/570027568.db2.gz QPTKOYKQKZGZBQ-LVWGJNHUSA-N 0 0 467.319 5.778 40 30 JKEBRN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1C#N ZINC000408723812 570027686 /nfs/dbraw/zinc/02/76/86/570027686.db2.gz QJNMEZYIFFYJJW-UVHMKAGCSA-N 0 0 495.377 5.204 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)S2)c(C)c1 ZINC000408723888 570027736 /nfs/dbraw/zinc/02/77/36/570027736.db2.gz YTNWGHQHSXKGCJ-OEAKJJBVSA-N 0 0 459.527 5.682 40 30 JKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OCC ZINC000408725195 570027863 /nfs/dbraw/zinc/02/78/63/570027863.db2.gz IFMNBWGLBZBKNM-NKDOTSDESA-N 0 0 458.583 6.683 40 30 JKEBRN COc1ccc(-c2oc(/N=C/c3ccc(Cl)cc3Cl)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408725355 570028006 /nfs/dbraw/zinc/02/80/06/570028006.db2.gz ODGRBMYKTWJUPO-FJEPWZHXSA-N 0 0 477.347 7.560 40 30 JKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408726525 570028113 /nfs/dbraw/zinc/02/81/13/570028113.db2.gz SKNCBALIAPASLD-BGTPXQLESA-N 0 0 472.610 6.909 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OCC 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/nfs/dbraw/zinc/04/81/18/570048118.db2.gz DOWVCKRKSURIQR-UHFFFAOYSA-N 0 0 492.802 5.195 40 30 JKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1 ZINC000408783309 570042365 /nfs/dbraw/zinc/04/23/65/570042365.db2.gz MJRFGTRVPQMDEH-KSEXSDGBSA-N 0 0 469.153 6.756 40 30 JKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccc(Cl)cc1 ZINC000408784240 570042590 /nfs/dbraw/zinc/04/25/90/570042590.db2.gz ADDLBTGBKJWAQW-JVWAILMASA-N 0 0 480.973 5.741 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OC ZINC000408785122 570042720 /nfs/dbraw/zinc/04/27/20/570042720.db2.gz XWZZLFJRJOXOCR-DUBROFONSA-N 0 0 459.409 5.348 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408784994 570042757 /nfs/dbraw/zinc/04/27/57/570042757.db2.gz FAQXILFQEDNFIJ-BKUYFWCQSA-N 0 0 466.404 6.057 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000408785368 570042977 /nfs/dbraw/zinc/04/29/77/570042977.db2.gz YXIXEGRHUJJVSD-BKUYFWCQSA-N 0 0 466.404 6.057 40 30 JKEBRN COc1ccc(Br)c(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 ZINC000408786381 570043275 /nfs/dbraw/zinc/04/32/75/570043275.db2.gz IWRVFUPNPGGIFV-DICXZTSXSA-N 0 0 483.431 6.079 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000408787629 570043378 /nfs/dbraw/zinc/04/33/78/570043378.db2.gz CVTLCEAMEZRVAL-MHZLTWQESA-N 0 0 474.560 5.739 40 30 JKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(I)c(C)c1 ZINC000408786995 570043484 /nfs/dbraw/zinc/04/34/84/570043484.db2.gz PLRCKCLYIYUOHQ-AFUMVMLFSA-N 0 0 456.371 6.881 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408788001 570043519 /nfs/dbraw/zinc/04/35/19/570043519.db2.gz IBXYJYBBUYOUCZ-HHHXNRCGSA-N 0 0 474.560 5.739 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408787748 570043556 /nfs/dbraw/zinc/04/35/56/570043556.db2.gz FRZMZZWRWXDQNZ-SANMLTNESA-N 0 0 478.523 5.570 40 30 JKEBRN 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C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408813864 570049855 /nfs/dbraw/zinc/04/98/55/570049855.db2.gz FSLXDDTVRZMDRB-USHMODERSA-N 0 0 477.585 7.388 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC ZINC000408813960 570049879 /nfs/dbraw/zinc/04/98/79/570049879.db2.gz GFPNPYOCQVRNEP-BOPFTXTBSA-N 0 0 477.767 5.015 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000408814162 570049988 /nfs/dbraw/zinc/04/99/88/570049988.db2.gz QJIQRPNZCVYCCP-MTDXEUNCSA-N 0 0 458.583 6.038 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408814772 570050188 /nfs/dbraw/zinc/05/01/88/570050188.db2.gz GLDLRYYCJMPCKV-UHFFFAOYSA-N 0 0 488.802 6.629 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408814855 570050195 /nfs/dbraw/zinc/05/01/95/570050195.db2.gz GPENAWQEHHOILN-UQQQWYQISA-N 0 0 489.568 6.773 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)SC1=S ZINC000408815092 570050219 /nfs/dbraw/zinc/05/02/19/570050219.db2.gz RMSVCYUXTOFWHD-MFOYZWKCSA-N 0 0 451.386 5.383 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408815048 570050289 /nfs/dbraw/zinc/05/02/89/570050289.db2.gz RJBYAYVDYSPZHQ-AQTBWJFISA-N 0 0 458.333 5.101 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)cc1 ZINC000408815045 570050308 /nfs/dbraw/zinc/05/03/08/570050308.db2.gz TVNFAOOMFDZXEH-OYKKKHCWSA-N 0 0 457.986 6.543 40 30 JKEBRN Clc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1Cl ZINC000408815164 570050312 /nfs/dbraw/zinc/05/03/12/570050312.db2.gz IPTONYMMLFINAU-FDAWAROLSA-N 0 0 470.403 8.169 40 30 JKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000408816080 570050442 /nfs/dbraw/zinc/05/04/42/570050442.db2.gz KIORGLGWMNNGKE-LGJNPRDNSA-N 0 0 472.397 5.617 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408816100 570050595 /nfs/dbraw/zinc/05/05/95/570050595.db2.gz 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O=C1/C(=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000408840555 570053589 /nfs/dbraw/zinc/05/35/89/570053589.db2.gz GTDFRSKQMQOLNQ-WFFFFOTMSA-N 0 0 491.544 6.931 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000408841563 570053803 /nfs/dbraw/zinc/05/38/03/570053803.db2.gz JUSUVMBOZTVMAK-QHCPKHFHSA-N 0 0 473.613 6.119 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000408842845 570053941 /nfs/dbraw/zinc/05/39/41/570053941.db2.gz LEMJBPSTBWOSGH-SANMLTNESA-N 0 0 465.549 5.706 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000408843339 570053973 /nfs/dbraw/zinc/05/39/73/570053973.db2.gz DIDDSGCIRXTGND-NTFVMDSBSA-N 0 0 485.565 7.106 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408843630 570054112 /nfs/dbraw/zinc/05/41/12/570054112.db2.gz RKNYMCCHOMSARB-FMCGGJTJSA-N 0 0 496.394 7.027 40 30 JKEBRN 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/nfs/dbraw/zinc/05/48/93/570054893.db2.gz OWEIOZRHMMCYHL-YVNNLAQVSA-N 0 0 485.628 7.668 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000408848114 570054962 /nfs/dbraw/zinc/05/49/62/570054962.db2.gz PGRWTMCWDQNUJI-PDGQHHTCSA-N 0 0 458.768 5.785 40 30 JKEBRN CCOC(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408848063 570055005 /nfs/dbraw/zinc/05/50/05/570055005.db2.gz YASWHGRLXPXOGR-ABWHLLFBSA-N 0 0 494.613 6.413 40 30 JKEBRN CC/N=C1\S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1CC ZINC000408848636 570055081 /nfs/dbraw/zinc/05/50/81/570055081.db2.gz RZTNCCWNGOTSQC-JWMLTMDESA-N 0 0 461.543 5.639 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408849338 570055166 /nfs/dbraw/zinc/05/51/66/570055166.db2.gz ZMVPDCYNFAPWFM-QFEZKATASA-N 0 0 476.573 6.230 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408849195 570055201 /nfs/dbraw/zinc/05/52/01/570055201.db2.gz 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570074096 /nfs/dbraw/zinc/07/40/96/570074096.db2.gz RJBWFDDVZMAHNF-JCYYTGCGSA-N 0 0 467.421 7.149 40 30 JKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OC)C(=O)N1C1CCCCC1 ZINC000408913613 570074139 /nfs/dbraw/zinc/07/41/39/570074139.db2.gz QWRRVKOOWUJLRU-LQLRGMOSSA-N 0 0 450.604 6.203 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408913572 570074155 /nfs/dbraw/zinc/07/41/55/570074155.db2.gz VNRCEJYQDRIKGM-ALQBTCKLSA-N 0 0 493.720 8.125 40 30 JKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCC)cc3)o2)S/C1=N\c1ccccc1 ZINC000408913615 570074157 /nfs/dbraw/zinc/07/41/57/570074157.db2.gz QXIPUUJCOCLKMM-LQLRGMOSSA-N 0 0 460.555 6.137 40 30 JKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408913997 570074244 /nfs/dbraw/zinc/07/42/44/570074244.db2.gz RYKZTYSIZLUPSC-YNZWNYQQSA-N 0 0 499.636 6.415 40 30 JKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000408913986 570074279 /nfs/dbraw/zinc/07/42/79/570074279.db2.gz 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ZINC000408914742 570074805 /nfs/dbraw/zinc/07/48/05/570074805.db2.gz WAMVWHRJHQWFOQ-AGPWXHRDSA-N 0 0 470.638 7.348 40 30 JKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408915065 570074879 /nfs/dbraw/zinc/07/48/79/570074879.db2.gz UIPGFILJUATZJD-UHFFFAOYSA-N 0 0 455.466 5.374 40 30 JKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000408914962 570074894 /nfs/dbraw/zinc/07/48/94/570074894.db2.gz ZYSFABXIUMJTRK-FMCGGJTJSA-N 0 0 460.715 6.036 40 30 JKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(OCC#C)c1 ZINC000408915045 570074902 /nfs/dbraw/zinc/07/49/02/570074902.db2.gz OYEZNTGJVVHGNL-VUTHCHCSSA-N 0 0 468.578 5.654 40 30 JKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S/C1=N\c1ccc(C)cc1 ZINC000408915066 570074905 /nfs/dbraw/zinc/07/49/05/570074905.db2.gz WVWYMJOQCGAFRB-MNHOXUQWSA-N 0 0 478.702 7.698 40 30 JKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408915117 570074918 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XTCUPOBVIRCFHJ-GIEPNVOJSA-N 0 0 451.595 6.774 40 30 JKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OCC ZINC000408915186 570075077 /nfs/dbraw/zinc/07/50/77/570075077.db2.gz XDOUQJDPULOLRB-RNWNAKOZSA-N 0 0 452.620 6.585 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408915204 570075090 /nfs/dbraw/zinc/07/50/90/570075090.db2.gz XFQMJZFOQPSWTQ-HUOZHCEOSA-N 0 0 459.527 6.029 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C(C)C)cc1 ZINC000408915673 570075179 /nfs/dbraw/zinc/07/51/79/570075179.db2.gz ZHVCPIHUPBOXMA-GIEPNVOJSA-N 0 0 456.611 6.895 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 ZINC000408915662 570075201 /nfs/dbraw/zinc/07/52/01/570075201.db2.gz ZFSXPEJPLYEWPI-VXQSOKKJSA-N 0 0 492.641 6.128 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2CC(C)C)cc1 ZINC000408915681 570075216 /nfs/dbraw/zinc/07/52/16/570075216.db2.gz ZJLDEISCWDCDHM-HYXNHMAPSA-N 0 0 474.601 6.973 40 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CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930022 570079551 /nfs/dbraw/zinc/07/95/51/570079551.db2.gz QYTHMSBEVMEFAH-SGXAETBLSA-N 0 0 456.011 5.963 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OCC)c2)C(=O)N1CC ZINC000408930195 570079554 /nfs/dbraw/zinc/07/95/54/570079554.db2.gz TYPJPGCRQFCDPU-NEQGSXNKSA-N 0 0 495.044 6.783 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(N3CCCCC3)cc2)N(CC)C1=O ZINC000408930244 570079561 /nfs/dbraw/zinc/07/95/61/570079561.db2.gz UNTAROCIDHDVDB-FXGFORCWSA-N 0 0 485.653 6.853 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC ZINC000408930049 570079580 /nfs/dbraw/zinc/07/95/80/570079580.db2.gz RIOIHXRYHBFTCZ-SGFRRPFJSA-N 0 0 465.402 5.893 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)C(=O)N1CC ZINC000408930143 570079603 /nfs/dbraw/zinc/07/96/03/570079603.db2.gz SNXKYWBKEYKINL-KBCCKEIDSA-N 0 0 484.625 5.857 40 30 JKEBRN C/N=C1/S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1C ZINC000408930152 570079613 /nfs/dbraw/zinc/07/96/13/570079613.db2.gz SQKSOHCZODGSOK-FYCBZXFJSA-N 0 0 467.388 5.713 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)N(CCOCC)C2=O)cc(OCC)c1O ZINC000408930388 570079702 /nfs/dbraw/zinc/07/97/02/570079702.db2.gz WIQYIGHBVSTWOI-PWQIAPGQSA-N 0 0 452.576 5.160 40 30 JKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C(=O)N1CC ZINC000408930383 570079723 /nfs/dbraw/zinc/07/97/23/570079723.db2.gz WGZFYGMDUJIQLY-ATAQLJSPSA-N 0 0 459.409 5.649 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)N1CC ZINC000408930472 570079729 /nfs/dbraw/zinc/07/97/29/570079729.db2.gz XMISGVXHUBXZIH-JMCHZZBBSA-N 0 0 459.615 5.985 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408930766 570079794 /nfs/dbraw/zinc/07/97/94/570079794.db2.gz BTTMMRXPPYKOKT-MTDXEUNCSA-N 0 0 450.966 5.905 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408930752 570079828 /nfs/dbraw/zinc/07/98/28/570079828.db2.gz BOQJIDQMFAHUET-VUTHCHCSSA-N 0 0 487.556 5.498 40 30 JKEBRN CCOc1cc(Cl)c(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc1OCC ZINC000408930740 570079834 /nfs/dbraw/zinc/07/98/34/570079834.db2.gz BKSQYXWIYYGCQF-SHSCQTOKSA-N 0 0 475.010 5.778 40 30 JKEBRN Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000408930989 570079924 /nfs/dbraw/zinc/07/99/24/570079924.db2.gz FUYKENIGSCVNLE-NDZAJKAJSA-N 0 0 456.973 6.659 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408931012 570079937 /nfs/dbraw/zinc/07/99/37/570079937.db2.gz GBJUNLBOJCWZAN-STBIYBPSSA-N 0 0 468.956 6.044 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1Cl ZINC000408931243 570079989 /nfs/dbraw/zinc/07/99/89/570079989.db2.gz IWCRRHCGUURKGW-MTDXEUNCSA-N 0 0 450.966 5.905 40 30 JKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408931550 570080156 /nfs/dbraw/zinc/08/01/56/570080156.db2.gz NBAUIDDKEFRYBR-RAWMCFOBSA-N 0 0 470.720 6.975 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408931611 570080202 /nfs/dbraw/zinc/08/02/02/570080202.db2.gz NWZHNVVQYLQEPU-ZBNITPKASA-N 0 0 481.574 5.223 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408931672 570080216 /nfs/dbraw/zinc/08/02/16/570080216.db2.gz OSXGJIJPMJTVQN-BGTPXQLESA-N 0 0 488.609 5.833 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408931807 570080223 /nfs/dbraw/zinc/08/02/23/570080223.db2.gz QNWQINPPRAFGGT-STBIYBPSSA-N 0 0 468.956 6.044 40 30 JKEBRN CCOc1c(I)cc(C=NNc2ccc(C(F)(F)F)cc2)cc1OC ZINC000408931773 570080289 /nfs/dbraw/zinc/08/02/89/570080289.db2.gz QCJRMJPVFPDOLI-LSHDLFTRSA-N 0 0 464.225 5.163 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408932102 570080325 /nfs/dbraw/zinc/08/03/25/570080325.db2.gz UBPHSSRNCWWXLQ-LQKURTRISA-N 0 0 454.929 5.654 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1OCc1ccccc1 ZINC000408932299 570080396 /nfs/dbraw/zinc/08/03/96/570080396.db2.gz VKVXJGUMDVTNPY-WPWMEQJKSA-N 0 0 481.390 5.624 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(I)c1 ZINC000408932306 570080404 /nfs/dbraw/zinc/08/04/04/570080404.db2.gz VLAQVNHTVOOHEZ-PCLIKHOPSA-N 0 0 485.369 5.286 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932348 570080433 /nfs/dbraw/zinc/08/04/33/570080433.db2.gz VZYYYVWTFXHIIJ-LQKURTRISA-N 0 0 471.435 5.993 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OC(C)C ZINC000408932196 570080452 /nfs/dbraw/zinc/08/04/52/570080452.db2.gz USXRRWPATUPIID-BUVRLJJBSA-N 0 0 494.373 5.064 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S/C1=N\c1ccccc1 ZINC000408932298 570080469 /nfs/dbraw/zinc/08/04/69/570080469.db2.gz BXFMGSPQJXCIRF-BIFPGVLTSA-N 0 0 497.414 6.350 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc1Cl ZINC000408932831 570080700 /nfs/dbraw/zinc/08/07/00/570080700.db2.gz ZTMDXSOWDNIRHM-MQPDMMFLSA-N 0 0 459.011 6.158 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)S/C1=N\c1ccc(OC)cc1 ZINC000408932501 570080529 /nfs/dbraw/zinc/08/05/29/570080529.db2.gz CPNXDYUYQAYQEK-WAMJVRJTSA-N 0 0 492.572 5.664 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408932572 570080535 /nfs/dbraw/zinc/08/05/35/570080535.db2.gz XNVXHVARCPSZGV-LQKURTRISA-N 0 0 471.384 6.168 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408932752 570080542 /nfs/dbraw/zinc/08/05/42/570080542.db2.gz ZBBTULMYERGCMX-AGJGHCONSA-N 0 0 495.648 6.639 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(Br)cc1OCc1cccc(C)c1 ZINC000408932711 570080562 /nfs/dbraw/zinc/08/05/62/570080562.db2.gz DQSFTJQHXAWEBF-QDTIIGTASA-N 0 0 493.323 6.810 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408932687 570080565 /nfs/dbraw/zinc/08/05/65/570080565.db2.gz YPEZTJISQBCXNN-RDRPBHBLSA-N 0 0 464.993 6.213 40 30 JKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408932618 570080569 /nfs/dbraw/zinc/08/05/69/570080569.db2.gz YGRLAOPVCJJCBX-YSMPRRRNSA-N 0 0 493.950 6.037 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408933143 570080633 /nfs/dbraw/zinc/08/06/33/570080633.db2.gz HVWATMBKWVUSLP-ZRGSRPPYSA-N 0 0 494.267 6.401 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1CC ZINC000408932788 570080688 /nfs/dbraw/zinc/08/06/88/570080688.db2.gz ZGOAXMWLUZDHOV-LVKIEVKJSA-N 0 0 463.372 5.479 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)S/C1=N\c1ccccc1 ZINC000408933199 570080770 /nfs/dbraw/zinc/08/07/70/570080770.db2.gz IIYQAICNRMLPIR-DSTPSKMHSA-N 0 0 488.609 5.915 40 30 JKEBRN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408934157 570080918 /nfs/dbraw/zinc/08/09/18/570080918.db2.gz LKNAFXMHPRGDIA-UHBFCERESA-N 0 0 499.489 6.766 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408934491 570081021 /nfs/dbraw/zinc/08/10/21/570081021.db2.gz BCKARMRHRBYMQJ-UMBCLGPTSA-N 0 0 499.054 8.189 40 30 JKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000408934568 570081024 /nfs/dbraw/zinc/08/10/24/570081024.db2.gz BJBNFPBNFIHORN-JRVYOMGTSA-N 0 0 456.589 7.843 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934452 570081051 /nfs/dbraw/zinc/08/10/51/570081051.db2.gz ATRWXNFRGYYIQZ-YNGPDNCKSA-N 0 0 458.605 8.124 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934450 570081071 /nfs/dbraw/zinc/08/10/71/570081071.db2.gz ATRWXNFRGYYIQZ-NDPAQZPKSA-N 0 0 458.605 8.124 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408934488 570081086 /nfs/dbraw/zinc/08/10/86/570081086.db2.gz BCKARMRHRBYMQJ-SOVABRKISA-N 0 0 499.054 8.189 40 30 JKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OCc1cccc2ccccc21 ZINC000408934733 570081118 /nfs/dbraw/zinc/08/11/18/570081118.db2.gz BPZARHPFDOXHFR-VXLYETTFSA-N 0 0 499.304 5.348 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408934996 570081138 /nfs/dbraw/zinc/08/11/38/570081138.db2.gz BXMMOWHUEWHBJA-PRZWFUNJSA-N 0 0 458.989 7.243 40 30 JKEBRN Cc1cc(I)ccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408935115 570081139 /nfs/dbraw/zinc/08/11/39/570081139.db2.gz MPAYGTRJXZGVGM-MSXFZWOLSA-N 0 0 454.233 6.160 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408935549 570081259 /nfs/dbraw/zinc/08/12/59/570081259.db2.gz HSVJRRHXPBFDIK-XQPPUJSCSA-N 0 0 464.609 7.536 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408936056 570081376 /nfs/dbraw/zinc/08/13/76/570081376.db2.gz JTQNJJRXPUZMEX-ZBSDOATPSA-N 0 0 497.038 7.636 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408935996 570081390 /nfs/dbraw/zinc/08/13/90/570081390.db2.gz FKKKGSVYYWWKED-QNAAZPGRSA-N 0 0 483.409 7.038 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408935992 570081407 /nfs/dbraw/zinc/08/14/07/570081407.db2.gz FKKKGSVYYWWKED-BACCJKGJSA-N 0 0 483.409 7.038 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc1OC ZINC000408935841 570081423 /nfs/dbraw/zinc/08/14/23/570081423.db2.gz OENJWDMRIGVSPX-OHUAKWPISA-N 0 0 470.591 5.132 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408935862 570081428 /nfs/dbraw/zinc/08/14/28/570081428.db2.gz DWSVJQDZSSYANG-NSBSDQOHSA-N 0 0 487.043 8.023 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408936052 570081439 /nfs/dbraw/zinc/08/14/39/570081439.db2.gz JTQNJJRXPUZMEX-SOVABRKISA-N 0 0 497.038 7.636 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408935861 570081446 /nfs/dbraw/zinc/08/14/46/570081446.db2.gz DWSVJQDZSSYANG-DYOIDNJGSA-N 0 0 487.043 8.023 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)S/C1=N\c1ccccc1 ZINC000408936197 570081516 /nfs/dbraw/zinc/08/15/16/570081516.db2.gz OQNJTJNGYJAHGX-DSTPSKMHSA-N 0 0 488.657 5.801 40 30 JKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408936621 570081677 /nfs/dbraw/zinc/08/16/77/570081677.db2.gz GZNJTOYYSPACBV-FMLIKCQESA-N 0 0 457.017 8.014 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408937074 570081680 /nfs/dbraw/zinc/08/16/80/570081680.db2.gz HROOPZSMWLNVNA-VGFAGTAPSA-N 0 0 487.441 7.733 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408936658 570081689 /nfs/dbraw/zinc/08/16/89/570081689.db2.gz HCXYLZORCJRGQL-SMZIXXOUSA-N 0 0 458.989 7.324 40 30 JKEBRN FC(F)c1cc(-c2ccc(Br)cc2)nc(N=NCc2ccn(CC(F)(F)F)n2)n1 ZINC000252483507 570081701 /nfs/dbraw/zinc/08/17/01/570081701.db2.gz FCWKCJVVBMPLLK-KTZMUZOWSA-N 0 0 475.219 5.049 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Cl)cc1 ZINC000408937390 570081747 /nfs/dbraw/zinc/08/17/47/570081747.db2.gz JASVUZJDUWDREX-JJFYIABZSA-N 0 0 471.813 5.090 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408937362 570081770 /nfs/dbraw/zinc/08/17/70/570081770.db2.gz IZZBJPWBXLVVAY-BACCJKGJSA-N 0 0 487.441 7.815 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408937105 570081809 /nfs/dbraw/zinc/08/18/09/570081809.db2.gz HWWJZYCCWXQPLW-YTTUFDEDSA-N 0 0 499.452 7.899 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408937364 570081813 /nfs/dbraw/zinc/08/18/13/570081813.db2.gz IZZBJPWBXLVVAY-LNAYXSFYSA-N 0 0 487.441 7.815 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408937960 570081884 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FTOYVSLAOXORKM-YBFXNURJSA-N 0 0 459.354 6.055 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)c1C ZINC000408960547 570085679 /nfs/dbraw/zinc/08/56/79/570085679.db2.gz MRAIGWAWFAEADJ-NWEZUEQQSA-N 0 0 461.606 6.728 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408960298 570085687 /nfs/dbraw/zinc/08/56/87/570085687.db2.gz KWJRCSKJOZDRHD-ZCHNHGOOSA-N 0 0 474.674 6.291 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000408960526 570085693 /nfs/dbraw/zinc/08/56/93/570085693.db2.gz GKWLNNYCFBFOJP-OEAKJJBVSA-N 0 0 491.544 5.052 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)cc1 ZINC000408960644 570085739 /nfs/dbraw/zinc/08/57/39/570085739.db2.gz NKVUNGPEBGCSGK-XOLKAKTPSA-N 0 0 481.419 5.540 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 ZINC000408961078 570085859 /nfs/dbraw/zinc/08/58/59/570085859.db2.gz QWUUWVKEJPORDD-VDJURDQESA-N 0 0 460.603 5.184 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)SC1=Nc1ccccc1 ZINC000408961116 570085880 /nfs/dbraw/zinc/08/58/80/570085880.db2.gz RDBUKLKJKWQUDQ-ZSBARMHISA-N 0 0 487.669 6.605 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000408960878 570085922 /nfs/dbraw/zinc/08/59/22/570085922.db2.gz PDTRBPOADFRUDV-ZCHNHGOOSA-N 0 0 453.611 6.134 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O ZINC000408961337 570085965 /nfs/dbraw/zinc/08/59/65/570085965.db2.gz RRSMXWVHZFICPY-YMTQWUKOSA-N 0 0 454.599 5.794 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c1C ZINC000408961425 570085971 /nfs/dbraw/zinc/08/59/71/570085971.db2.gz SUDQLEXCAFEVFA-FZFZTRJPSA-N 0 0 473.642 6.215 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000408961268 570085993 /nfs/dbraw/zinc/08/59/93/570085993.db2.gz MABIYWVDHIFUEO-BUVRLJJBSA-N 0 0 478.545 5.704 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1CCCN1CCOCC1 ZINC000408961420 570086006 /nfs/dbraw/zinc/08/60/06/570086006.db2.gz SSTZKYNACXUHEC-XJRKAXCFSA-N 0 0 490.673 5.003 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OCC ZINC000408961840 570086218 /nfs/dbraw/zinc/08/62/18/570086218.db2.gz OLKBRLTYDQOFBW-MHWRWJLKSA-N 0 0 471.793 6.336 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)S2)cc1 ZINC000408961874 570086267 /nfs/dbraw/zinc/08/62/67/570086267.db2.gz PATAEFBWWVTHNY-CIAFOILYSA-N 0 0 499.470 6.606 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)S2)cc1 ZINC000408961850 570086273 /nfs/dbraw/zinc/08/62/73/570086273.db2.gz ONSVWUCMYRFXFW-LPYMAVHISA-N 0 0 498.963 5.967 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)S2)cc1 ZINC000408962419 570086396 /nfs/dbraw/zinc/08/63/96/570086396.db2.gz RRPVMGIGGCLCID-XDHOZWIPSA-N 0 0 455.333 5.609 40 30 JKEBRN O=C(COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl)Nc1ccccc1 ZINC000408962165 570086411 /nfs/dbraw/zinc/08/64/11/570086411.db2.gz QOYVKELKWKEMCW-FYJGNVAPSA-N 0 0 481.936 5.388 40 30 JKEBRN O=C(Cn1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c2ccccc21)N1CCOCC1 ZINC000408962534 570086471 /nfs/dbraw/zinc/08/64/71/570086471.db2.gz SUGPNDAAWLBNBL-UXHLAJHPSA-N 0 0 463.537 5.664 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1 ZINC000408962749 570086516 /nfs/dbraw/zinc/08/65/16/570086516.db2.gz UJJWSAAFBXGPDV-UFWORHAWSA-N 0 0 490.324 6.062 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=Nc1ccccc1 ZINC000408963031 570086593 /nfs/dbraw/zinc/08/65/93/570086593.db2.gz LPOUXPIKZGBNQM-SCWWSTLWSA-N 0 0 464.328 5.011 40 30 JKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000408963241 570086597 /nfs/dbraw/zinc/08/65/97/570086597.db2.gz YIRGJLMGAGVDDV-GZTJUZNOSA-N 0 0 499.261 6.494 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)S2)cc1 ZINC000408963085 570086617 /nfs/dbraw/zinc/08/66/17/570086617.db2.gz MJYCPGBZBOLPFG-YZSQISJMSA-N 0 0 466.562 6.319 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409088138 570123934 /nfs/dbraw/zinc/12/39/34/570123934.db2.gz DPKZUMVZOFLESL-MLPAPPSSSA-N 0 0 485.559 5.760 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC ZINC000408963151 570086653 /nfs/dbraw/zinc/08/66/53/570086653.db2.gz XKWJNQNHDWUGCE-XSFVSMFZSA-N 0 0 487.408 6.024 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)S2)cc1 ZINC000408963273 570086772 /nfs/dbraw/zinc/08/67/72/570086772.db2.gz YPTKQJSQZTVKDT-WSDLNYQXSA-N 0 0 494.403 6.644 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408963718 570086812 /nfs/dbraw/zinc/08/68/12/570086812.db2.gz ALGQAFVKTOFVBL-ZHWKOZAQSA-N 0 0 471.670 7.242 40 30 JKEBRN NC(=O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408964151 570086862 /nfs/dbraw/zinc/08/68/62/570086862.db2.gz PRXCYVXAEYDSJC-LQKURTRISA-N 0 0 461.587 5.274 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000408964271 570086957 /nfs/dbraw/zinc/08/69/57/570086957.db2.gz CPJKZGJWSZXGQT-BBQFQXQASA-N 0 0 477.633 7.465 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)S2)cc1 ZINC000408964453 570086981 /nfs/dbraw/zinc/08/69/81/570086981.db2.gz HAWNHJNIABKVQF-LPYMAVHISA-N 0 0 498.963 5.967 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408964301 570087020 /nfs/dbraw/zinc/08/70/20/570087020.db2.gz FZSQJZMPRZVLKS-YDZHTSKRSA-N 0 0 475.526 5.382 40 30 JKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)cc1 ZINC000408964954 570087075 /nfs/dbraw/zinc/08/70/75/570087075.db2.gz IXRVODFXCCNVDD-WOJGMQOQSA-N 0 0 473.337 5.932 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)c1 ZINC000408964828 570087093 /nfs/dbraw/zinc/08/70/93/570087093.db2.gz FDGXWXDTBRLRDD-HAHDFKILSA-N 0 0 459.571 5.471 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)S2)cc1 ZINC000408964869 570087148 /nfs/dbraw/zinc/08/71/48/570087148.db2.gz SWZQQCSUHAZORV-HYARGMPZSA-N 0 0 493.972 5.258 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)c1C ZINC000408965031 570087247 /nfs/dbraw/zinc/08/72/47/570087247.db2.gz FMRRCUSWASMHQZ-CJUPBPKFSA-N 0 0 457.643 6.816 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1C ZINC000408966161 570087518 /nfs/dbraw/zinc/08/75/18/570087518.db2.gz KEKZWJMABPGJPI-QRVIBDJDSA-N 0 0 450.007 6.510 40 30 JKEBRN CCOc1cc(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1O ZINC000408966196 570087528 /nfs/dbraw/zinc/08/75/28/570087528.db2.gz NMZIQBPEMQDTSA-VGOFMYFVSA-N 0 0 488.190 5.752 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc4c(c3)OCO4)N(C)C2=O)c1C ZINC000408966462 570087608 /nfs/dbraw/zinc/08/76/08/570087608.db2.gz LVAHULYAHAVIBR-GNZGNADUSA-N 0 0 459.571 5.619 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OCC)c1OCC ZINC000408966510 570087629 /nfs/dbraw/zinc/08/76/29/570087629.db2.gz OWUJNJGGROMPMM-CPNJWEJPSA-N 0 0 477.413 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JKEBRN C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c(nc3c2)CCCC4)cc1 ZINC000408975539 570089708 /nfs/dbraw/zinc/08/97/08/570089708.db2.gz MRVQOSJNRWGTAD-UHFFFAOYSA-N 0 0 458.587 5.099 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1C ZINC000408975803 570089799 /nfs/dbraw/zinc/08/97/99/570089799.db2.gz NTLIJSKABZEAIN-XORFNKKDSA-N 0 0 482.583 6.257 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)c1C ZINC000408975800 570089808 /nfs/dbraw/zinc/08/98/08/570089808.db2.gz NTLIJSKABZEAIN-OTDFFUQNSA-N 0 0 482.583 6.257 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc(Br)c1O ZINC000408975940 570089818 /nfs/dbraw/zinc/08/98/18/570089818.db2.gz DBUOTFCBIPPBNZ-DHRITJCHSA-N 0 0 471.420 7.085 40 30 JKEBRN CCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 ZINC000408976387 570089901 /nfs/dbraw/zinc/08/99/01/570089901.db2.gz QVLNXCMJXKZBTD-NJZRLIGZSA-N 0 0 483.681 8.499 40 30 JKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408976100 570089927 /nfs/dbraw/zinc/08/99/27/570089927.db2.gz PCHQGJBAPDUVAZ-TWKHWXDSSA-N 0 0 469.654 8.109 40 30 JKEBRN N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccc(F)cc3)c(Br)c1)CCCC2 ZINC000408976488 570089930 /nfs/dbraw/zinc/08/99/30/570089930.db2.gz AYTRKTKNQPXWFY-UHFFFAOYSA-N 0 0 452.327 5.562 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)ccc1OCc1ccccc1 ZINC000408976915 570089995 /nfs/dbraw/zinc/08/99/95/570089995.db2.gz SWEKPMCWLILSDZ-JVWAILMASA-N 0 0 471.538 6.697 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3nc(-c4ccc(C5CCCCC5)cc4)cs3)cc2)cc1 ZINC000408976853 570090011 /nfs/dbraw/zinc/09/00/11/570090011.db2.gz GUEROPFYVYTWMX-FDAWAROLSA-N 0 0 470.613 8.327 40 30 JKEBRN C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccc3nc4c(nc3c2)CCCC4)cc1)c1ccccc1 ZINC000408976589 570090020 /nfs/dbraw/zinc/09/00/20/570090020.db2.gz RRQXABRXKLAWPX-UHFFFAOYSA-N 0 0 494.620 6.117 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408976868 570090032 /nfs/dbraw/zinc/09/00/32/570090032.db2.gz SSGJEUZTJUDYGU-AFUMVMLFSA-N 0 0 473.514 6.356 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Cl)cc3Cl)sc2-c2ccccc2)cc1C ZINC000408976893 570090058 /nfs/dbraw/zinc/09/00/58/570090058.db2.gz STJLAFQZROOUID-MZJWZYIUSA-N 0 0 452.410 7.847 40 30 JKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 ZINC000408977109 570090110 /nfs/dbraw/zinc/09/01/10/570090110.db2.gz VESGUQVIPIBANR-CVKSISIWSA-N 0 0 474.542 6.157 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408977058 570090142 /nfs/dbraw/zinc/09/01/42/570090142.db2.gz CPMSGDORTCTUEE-UHFFFAOYSA-N 0 0 457.533 6.610 40 30 JKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408977321 570090159 /nfs/dbraw/zinc/09/01/59/570090159.db2.gz VJSLQIVWPSKQFG-OGLMXYFKSA-N 0 0 484.581 7.013 40 30 JKEBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000408977167 570090161 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/nfs/dbraw/zinc/12/13/38/570121338.db2.gz NGWQPTQDOLEZBH-ALMWKJIMSA-N 0 0 480.630 6.190 40 30 JKEBRN C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409080129 570121367 /nfs/dbraw/zinc/12/13/67/570121367.db2.gz LSDDSYDTWMKKCI-XAZZYMPDSA-N 0 0 489.925 6.906 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409080310 570121506 /nfs/dbraw/zinc/12/15/06/570121506.db2.gz MVVQUIYBZZXMHJ-ODLFYWEKSA-N 0 0 458.728 6.570 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000409080598 570121511 /nfs/dbraw/zinc/12/15/11/570121511.db2.gz ISRBUJFSRZCBGD-AQCJKUNZSA-N 0 0 480.630 6.190 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cc4c(cc3Cl)OCO4)c2C(=O)NCc2ccco2)C1 ZINC000409080504 570121526 /nfs/dbraw/zinc/12/15/26/570121526.db2.gz DXCZUEREBIMCBE-VPQBIHQDSA-N 0 0 499.032 6.555 40 30 JKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000409080807 570121565 /nfs/dbraw/zinc/12/15/65/570121565.db2.gz 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ZINC000409082186 570121970 /nfs/dbraw/zinc/12/19/70/570121970.db2.gz PQBMYXMVZYAGOM-TXFBGOCOSA-N 0 0 465.800 6.125 40 30 JKEBRN C=CCOc1c(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])cc1OC ZINC000409082474 570122076 /nfs/dbraw/zinc/12/20/76/570122076.db2.gz SQUFDZMNHADCNA-JAYSCUBMSA-N 0 0 453.564 6.003 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409082849 570122120 /nfs/dbraw/zinc/12/21/20/570122120.db2.gz TUGBZXNUUJXRRH-MOSHPQCFSA-N 0 0 468.734 6.026 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(Br)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409082818 570122123 /nfs/dbraw/zinc/12/21/23/570122123.db2.gz TWMFHOMHXBYIEQ-RYPKJOHWSA-N 0 0 499.474 6.935 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409082447 570122126 /nfs/dbraw/zinc/12/21/26/570122126.db2.gz MCPLMTUOPTYHCL-PDGQHHTCSA-N 0 0 468.734 6.026 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])o3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083271 570122237 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/nfs/dbraw/zinc/12/24/41/570122441.db2.gz WQFRWMUXVCKEEX-MELSTYLASA-N 0 0 491.701 7.019 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)ccc3OCc3ccccc3Cl)sc2C1 ZINC000409084020 570122481 /nfs/dbraw/zinc/12/24/81/570122481.db2.gz WRQPQHINJGRFIN-HGNFZYRHSA-N 0 0 497.491 8.407 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409084026 570122485 /nfs/dbraw/zinc/12/24/85/570122485.db2.gz OZOFUVVDGMGPKG-ODLFYWEKSA-N 0 0 458.728 6.570 40 30 JKEBRN N#Cc1ccccc1COc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409084202 570122549 /nfs/dbraw/zinc/12/25/49/570122549.db2.gz ALJFOTLZUHTGPM-KYHGBAKBSA-N 0 0 495.604 6.351 40 30 JKEBRN COc1cc(C=NNc2ccccc2)c(Br)cc1OCc1cccc2ccccc21 ZINC000409084441 570122562 /nfs/dbraw/zinc/12/25/62/570122562.db2.gz VKOJOGWYLTZFQK-YUMHPJSZSA-N 0 0 461.359 6.636 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)sc2C1 ZINC000409084468 570122563 /nfs/dbraw/zinc/12/25/63/570122563.db2.gz MCVMAAFERHALMO-DMKVLWIMSA-N 0 0 497.491 8.407 40 30 JKEBRN COc1cccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000409084590 570122697 /nfs/dbraw/zinc/12/26/97/570122697.db2.gz XQVPGZPKZDEMFU-PPDIBHTLSA-N 0 0 479.842 6.301 40 30 JKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409084701 570122701 /nfs/dbraw/zinc/12/27/01/570122701.db2.gz VZJXGCOLCZRKBJ-ODLFYWEKSA-N 0 0 454.309 5.926 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000409084774 570122703 /nfs/dbraw/zinc/12/27/03/570122703.db2.gz QJSKKRZLUJLHIJ-HYARGMPZSA-N 0 0 491.525 5.083 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084780 570122704 /nfs/dbraw/zinc/12/27/04/570122704.db2.gz QLURCMLIPHQGRN-SXVBQMOPSA-N 0 0 488.993 5.305 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000409084532 570122717 /nfs/dbraw/zinc/12/27/17/570122717.db2.gz YDMQWQVNGZQZMN-JZNDDVEWSA-N 0 0 467.432 7.544 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084964 570122817 /nfs/dbraw/zinc/12/28/17/570122817.db2.gz NMHTUFGKLGWAQG-LGJNPRDNSA-N 0 0 475.379 6.463 40 30 JKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409084864 570122827 /nfs/dbraw/zinc/12/28/27/570122827.db2.gz NFBLQKQKYCQAHS-SOTNGODCSA-N 0 0 478.658 6.962 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc2n1Cc1ccccc1 ZINC000409085035 570122833 /nfs/dbraw/zinc/12/28/33/570122833.db2.gz YQIYOWQRQCVIRW-AZXQTONSSA-N 0 0 465.666 7.833 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1ccccc1C#N ZINC000409084965 570122851 /nfs/dbraw/zinc/12/28/51/570122851.db2.gz YLSPMLWIPFKDFI-NYHPFTRHSA-N 0 0 483.637 6.981 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409085196 570122908 /nfs/dbraw/zinc/12/29/08/570122908.db2.gz NWBDGCGSBIWZGW-UNOMPAQXSA-N 0 0 489.952 5.016 40 30 JKEBRN Cc1cc2c(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c(-c3ccccc3)[nH]c2c(C)c1 ZINC000409085129 570122936 /nfs/dbraw/zinc/12/29/36/570122936.db2.gz NTPHOJXXOCMGNJ-DPNMHVQBSA-N 0 0 465.666 8.287 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc2n1Cc1ccccc1 ZINC000409085041 570122955 /nfs/dbraw/zinc/12/29/55/570122955.db2.gz YQIYOWQRQCVIRW-FXEVSKGOSA-N 0 0 465.666 7.833 40 30 JKEBRN CC(C)(C)c1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(C(C)(C)C)c1O ZINC000409085518 570123120 /nfs/dbraw/zinc/12/31/20/570123120.db2.gz SILLNOJHRRUQIG-PCHPKZPRSA-N 0 0 450.692 7.822 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc2C1 ZINC000409085412 570123124 /nfs/dbraw/zinc/12/31/24/570123124.db2.gz YZFMCDXFOMTFQO-UFFVZDAASA-N 0 0 451.639 7.524 40 30 JKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)n1-c1ccccc1 ZINC000409086038 570123142 /nfs/dbraw/zinc/12/31/42/570123142.db2.gz UKYDSEQYPFEUEG-MWLSYYOVSA-N 0 0 457.599 6.308 40 30 JKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C/c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CCCC2 ZINC000409085849 570123150 /nfs/dbraw/zinc/12/31/50/570123150.db2.gz OPNLTARFBKKTEB-JFLMPSFJSA-N 0 0 478.574 5.409 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccncc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409086032 570123174 /nfs/dbraw/zinc/12/31/74/570123174.db2.gz PTMVPKXBABXYIJ-PYWPZVNCSA-N 0 0 452.023 6.950 40 30 JKEBRN CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409086395 570123296 /nfs/dbraw/zinc/12/32/96/570123296.db2.gz QPJUZPXHRWJKIE-BCTLRTMBSA-N 0 0 474.670 7.689 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409086346 570123314 /nfs/dbraw/zinc/12/33/14/570123314.db2.gz QKSUDRRQHCCRPP-GATIEOLUSA-N 0 0 496.854 6.772 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000409086098 570123348 /nfs/dbraw/zinc/12/33/48/570123348.db2.gz QDLJPDUZJZDFPW-LMXQCESDSA-N 0 0 499.419 7.133 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc4c(c3)OCCO4)c2C(=O)NCc2ccco2)C1 ZINC000409086645 570123419 /nfs/dbraw/zinc/12/34/19/570123419.db2.gz AFHLPIATSWPIRF-ALMWKJIMSA-N 0 0 478.614 5.944 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(C)cc1OC ZINC000409087005 570123502 /nfs/dbraw/zinc/12/35/02/570123502.db2.gz SMUDMGKQEDRMSG-OHUCKCTGSA-N 0 0 459.011 6.316 40 30 JKEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409087191 570123504 /nfs/dbraw/zinc/12/35/04/570123504.db2.gz BBKQXHOYJYSTJO-KBKYJPHKSA-N 0 0 495.797 6.727 40 30 JKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409086911 570123515 /nfs/dbraw/zinc/12/35/15/570123515.db2.gz BTHMDAVSQNDZMF-ODLFYWEKSA-N 0 0 498.760 6.035 40 30 JKEBRN CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409087038 570123526 /nfs/dbraw/zinc/12/35/26/570123526.db2.gz FUEUMPLVXJRXCM-KWDSEZTQSA-N 0 0 492.685 7.208 40 30 JKEBRN 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0 498.604 6.985 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)S2)cc1 ZINC000409189693 570161522 /nfs/dbraw/zinc/16/15/22/570161522.db2.gz NELSXCNQLILXAT-JLPGSUDCSA-N 0 0 461.587 5.783 40 30 JKEBRN CC(=O)Nc1ccccc1SCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000409189833 570161588 /nfs/dbraw/zinc/16/15/88/570161588.db2.gz JBJKCQJZELZIJZ-UHFFFAOYSA-N 0 0 467.550 6.174 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000409190617 570161762 /nfs/dbraw/zinc/16/17/62/570161762.db2.gz SZCVKZABPWUFTM-STBIYBPSSA-N 0 0 484.577 6.676 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2cccc(Br)c2)nnc1-c1ccco1 ZINC000409191354 570162017 /nfs/dbraw/zinc/16/20/17/570162017.db2.gz WIHGAFRYDMODGA-YDZHTSKRSA-N 0 0 498.362 6.131 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409191644 570162098 /nfs/dbraw/zinc/16/20/98/570162098.db2.gz ZUGHWSYKXMJUIN-RCCKNPSSSA-N 0 0 453.947 5.720 40 30 JKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 ZINC000409197700 570164035 /nfs/dbraw/zinc/16/40/35/570164035.db2.gz MKUJKYWXKOEHRE-UHFFFAOYSA-N 0 0 473.990 5.598 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1OC ZINC000409198456 570164289 /nfs/dbraw/zinc/16/42/89/570164289.db2.gz GGUYSGJLMVOGRX-WQRHYEAKSA-N 0 0 476.417 5.601 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2)cc1Cl ZINC000409199092 570164476 /nfs/dbraw/zinc/16/44/76/570164476.db2.gz BIXKPGZMMFZUHE-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409199189 570164483 /nfs/dbraw/zinc/16/44/83/570164483.db2.gz BVFHQARIKDRGLD-WKULSOCRSA-N 0 0 494.816 7.902 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1C ZINC000409198999 570164498 /nfs/dbraw/zinc/16/44/98/570164498.db2.gz AUUGIYOYBFVCKW-IPBVOBEMSA-N 0 0 483.273 8.080 40 30 JKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1Cl ZINC000409199391 570164534 /nfs/dbraw/zinc/16/45/34/570164534.db2.gz CKDKFLVEZXEHRD-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2cccc(C)c2C)c1 ZINC000409199318 570164555 /nfs/dbraw/zinc/16/45/55/570164555.db2.gz BYVOFHYKYOHPOJ-VULFUBBASA-N 0 0 451.364 6.142 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409199395 570164566 /nfs/dbraw/zinc/16/45/66/570164566.db2.gz CDCIGYBPFHAWSU-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409199224 570164586 /nfs/dbraw/zinc/16/45/86/570164586.db2.gz ADLYOPIZLXIQDX-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409199261 570164623 /nfs/dbraw/zinc/16/46/23/570164623.db2.gz AWSUOJBXWPTZHQ-MZJWZYIUSA-N 0 0 485.809 6.741 40 30 JKEBRN CCCOc1ccc(Br)cc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409199869 570164739 /nfs/dbraw/zinc/16/47/39/570164739.db2.gz FHCDGFIOFVXOSJ-JAYSCUBMSA-N 0 0 459.453 7.073 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1C ZINC000409199863 570164742 /nfs/dbraw/zinc/16/47/42/570164742.db2.gz FGJICLNCWDJHDD-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409199862 570164744 /nfs/dbraw/zinc/16/47/44/570164744.db2.gz FJQXNXACXXVJOO-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C ZINC000409199683 570164749 /nfs/dbraw/zinc/16/47/49/570164749.db2.gz CQKNDHRWEKTQRQ-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1C(C)C ZINC000409199842 570164793 /nfs/dbraw/zinc/16/47/93/570164793.db2.gz DQEOIRBRNYBJKI-YIUZENNJSA-N 0 0 470.507 5.384 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C ZINC000409200086 570164842 /nfs/dbraw/zinc/16/48/42/570164842.db2.gz GQVHMWGLHQCSRV-LUOAPIJWSA-N 0 0 453.196 8.247 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000409200015 570164870 /nfs/dbraw/zinc/16/48/70/570164870.db2.gz GSZJHMQVSWWPMW-JFLMPSFJSA-N 0 0 470.377 6.973 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409200138 570164956 /nfs/dbraw/zinc/16/49/56/570164956.db2.gz GXULNFFNEHPKED-YDZHTSKRSA-N 0 0 480.767 5.629 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409200252 570164982 /nfs/dbraw/zinc/16/49/82/570164982.db2.gz HGGOXXYOAHGYLH-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409200298 570164985 /nfs/dbraw/zinc/16/49/85/570164985.db2.gz HOTBURVWPCIZPY-OGLMXYFKSA-N 0 0 460.371 7.331 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409200620 570165072 /nfs/dbraw/zinc/16/50/72/570165072.db2.gz IYLIAYCQZBEFIQ-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409200686 570165174 /nfs/dbraw/zinc/16/51/74/570165174.db2.gz JSHJCWZTNDSFQA-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 ZINC000409200697 570165186 /nfs/dbraw/zinc/16/51/86/570165186.db2.gz IOOPRIWSJASWAF-LUOAPIJWSA-N 0 0 453.196 8.247 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)S2)cc1 ZINC000409200743 570165193 /nfs/dbraw/zinc/16/51/93/570165193.db2.gz IUZYPLUBDWYCID-KOEQRZSOSA-N 0 0 469.566 5.621 40 30 JKEBRN CCOc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409200874 570165258 /nfs/dbraw/zinc/16/52/58/570165258.db2.gz JWWXVSIMNQMRJP-WGOQTCKBSA-N 0 0 457.442 6.598 40 30 JKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)c1 ZINC000409200990 570165275 /nfs/dbraw/zinc/16/52/75/570165275.db2.gz KZCLKVTVNLUMCX-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409200948 570165298 /nfs/dbraw/zinc/16/52/98/570165298.db2.gz KOKXGCLICFKRTR-WSDLNYQXSA-N 0 0 456.252 6.117 40 30 JKEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/c3sc4c(c3C#N)C3CCN4CC3)cc2)cc1 ZINC000409201246 570165364 /nfs/dbraw/zinc/16/53/64/570165364.db2.gz KUOKTBQHVXDZKJ-WKULSOCRSA-N 0 0 484.581 5.172 40 30 JKEBRN Cc1ccccc1/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409201329 570165388 /nfs/dbraw/zinc/16/53/88/570165388.db2.gz LOPNFJSBFRCXTI-WKULSOCRSA-N 0 0 450.416 7.618 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409201558 570165450 /nfs/dbraw/zinc/16/54/50/570165450.db2.gz MKVYOYDBGJPUPD-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br ZINC000409201450 570165466 /nfs/dbraw/zinc/16/54/66/570165466.db2.gz MZYZUNQAUYQNMT-SCTUZPNZSA-N 0 0 460.441 5.946 40 30 JKEBRN CCOC(=O)COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC ZINC000409201379 570165505 /nfs/dbraw/zinc/16/55/05/570165505.db2.gz MIONRCDSRIZHAQ-MAFAOTQISA-N 0 0 454.592 5.472 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409201970 570165642 /nfs/dbraw/zinc/16/56/42/570165642.db2.gz PHURQRJPSJAFDX-UXHLAJHPSA-N 0 0 488.425 7.893 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201873 570165711 /nfs/dbraw/zinc/16/57/11/570165711.db2.gz OUMIEHIDNIYIQY-AFUMVMLFSA-N 0 0 485.334 6.094 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409202224 570165753 /nfs/dbraw/zinc/16/57/53/570165753.db2.gz QJKPHVWFAAAAHW-XODNFHPESA-N 0 0 478.854 7.517 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409202155 570165767 /nfs/dbraw/zinc/16/57/67/570165767.db2.gz PKKUZNRNBLANIV-CVKSISIWSA-N 0 0 457.979 6.182 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409202263 570165858 /nfs/dbraw/zinc/16/58/58/570165858.db2.gz QHKHNZINPRUZBI-DADJGAKYSA-N 0 0 457.643 6.850 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409202282 570165875 /nfs/dbraw/zinc/16/58/75/570165875.db2.gz QODOYHSJIVNGQL-LGJNPRDNSA-N 0 0 459.329 6.938 40 30 JKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 ZINC000409202355 570165913 /nfs/dbraw/zinc/16/59/13/570165913.db2.gz PZWUONMXSAZMJM-NAKRTNOJSA-N 0 0 453.608 5.278 40 30 JKEBRN Clc1ccc(OCc2cccc3ccccc32)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409202346 570165915 /nfs/dbraw/zinc/16/59/15/570165915.db2.gz RVABDVPFZBMENG-UZWMFBFFSA-N 0 0 463.964 8.615 40 30 JKEBRN Brc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409202665 570165955 /nfs/dbraw/zinc/16/59/55/570165955.db2.gz SQUBQDZIXIQGEV-MTDXEUNCSA-N 0 0 458.355 7.571 40 30 JKEBRN C#CCOc1c(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)cc1OC ZINC000409202658 570165986 /nfs/dbraw/zinc/16/59/86/570165986.db2.gz SMKAKILAOYPZDL-BIOVLPJHSA-N 0 0 485.447 6.304 40 30 JKEBRN C#CCOc1c(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)cc1OC ZINC000409202660 570165995 /nfs/dbraw/zinc/16/59/95/570165995.db2.gz SMKAKILAOYPZDL-FKSSYULRSA-N 0 0 485.447 6.304 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409202532 570166014 /nfs/dbraw/zinc/16/60/14/570166014.db2.gz RAGSEFMDWWMMPC-RPPGKUMJSA-N 0 0 495.251 6.928 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409202747 570166078 /nfs/dbraw/zinc/16/60/78/570166078.db2.gz RXOZMFJIDVCEKP-YDZHTSKRSA-N 0 0 486.278 6.207 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409202804 570166086 /nfs/dbraw/zinc/16/60/86/570166086.db2.gz SKCQWUPXFFHETI-OCSSWDANSA-N 0 0 478.426 7.949 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409202863 570166089 /nfs/dbraw/zinc/16/60/89/570166089.db2.gz UBFWSOQSZPXGFI-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409202823 570166108 /nfs/dbraw/zinc/16/61/08/570166108.db2.gz SRNSDHADCVXISV-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409202934 570166148 /nfs/dbraw/zinc/16/61/48/570166148.db2.gz VFTZHMCZIJWWNN-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc5ccccc5c4)cc3)sc2C1 ZINC000409202976 570166151 /nfs/dbraw/zinc/16/61/51/570166151.db2.gz TZPAAQOSYLEOET-UTOCKENXSA-N 0 0 478.661 8.254 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409202918 570166181 /nfs/dbraw/zinc/16/61/81/570166181.db2.gz UHLKWGBFGISNTQ-RPPGKUMJSA-N 0 0 495.251 6.928 40 30 JKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1Br)c1ccc(Cl)cc1 ZINC000409203061 570166186 /nfs/dbraw/zinc/16/61/86/570166186.db2.gz VWJZZYUYIKKPFT-LPYMAVHISA-N 0 0 450.741 5.621 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409202865 570166212 /nfs/dbraw/zinc/16/62/12/570166212.db2.gz UCCRYCHEXPISSI-STBIYBPSSA-N 0 0 490.397 7.339 40 30 JKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409203146 570166233 /nfs/dbraw/zinc/16/62/33/570166233.db2.gz VLUZEPNRTJPJIC-PCLIKHOPSA-N 0 0 483.305 5.855 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409203285 570166284 /nfs/dbraw/zinc/16/62/84/570166284.db2.gz WYSUYHBSTOZZCB-UVHMKAGCSA-N 0 0 464.827 7.209 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409203197 570166291 /nfs/dbraw/zinc/16/62/91/570166291.db2.gz VRYALJUYLFINMQ-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409203093 570166316 /nfs/dbraw/zinc/16/63/16/570166316.db2.gz UYZRDHBYTNSDLI-XODNFHPESA-N 0 0 471.384 6.695 40 30 JKEBRN COC(=O)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000409203467 570166351 /nfs/dbraw/zinc/16/63/51/570166351.db2.gz XFUXQDIMJQMRPL-RNSPVEPZSA-N 0 0 489.435 5.836 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1C ZINC000409203624 570166437 /nfs/dbraw/zinc/16/64/37/570166437.db2.gz ZKXJAJVHSRFINX-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409203697 570166502 /nfs/dbraw/zinc/16/65/02/570166502.db2.gz YJBRHKCPIQUIDI-JFLMPSFJSA-N 0 0 452.392 7.103 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409203893 570166558 /nfs/dbraw/zinc/16/65/58/570166558.db2.gz ZQSOVRAJQFGWJL-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409203773 570166562 /nfs/dbraw/zinc/16/65/62/570166562.db2.gz XXGKPTMMMDDGIC-VFLNYLIXSA-N 0 0 492.881 7.825 40 30 JKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000409204254 570166675 /nfs/dbraw/zinc/16/66/75/570166675.db2.gz DFZBTHTYCZNSHI-UHFFFAOYSA-N 0 0 463.984 6.143 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC ZINC000409205473 570166966 /nfs/dbraw/zinc/16/69/66/570166966.db2.gz NMHKSLAMDXFDFI-LDADJPATSA-N 0 0 493.448 5.368 40 30 JKEBRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409206624 570167317 /nfs/dbraw/zinc/16/73/17/570167317.db2.gz YROADFNQJSNJTI-KOEQRZSOSA-N 0 0 475.617 7.125 40 30 JKEBRN N#Cc1ccc(Cn2cc(/C=C3\c4ccccc4N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409206757 570167472 /nfs/dbraw/zinc/16/74/72/570167472.db2.gz XFQZVHQVTTXHPV-MTDXEUNCSA-N 0 0 451.529 6.780 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2C)cc1Cl ZINC000409207830 570167798 /nfs/dbraw/zinc/16/77/98/570167798.db2.gz AWKZOXHMLZFJKN-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207839 570167801 /nfs/dbraw/zinc/16/78/01/570167801.db2.gz BCEWEBMYPZPBHN-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207822 570167831 /nfs/dbraw/zinc/16/78/31/570167831.db2.gz APHALEXRCCRXAV-CVKSISIWSA-N 0 0 457.979 6.182 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409207957 570167907 /nfs/dbraw/zinc/16/79/07/570167907.db2.gz DIBWLQIWZWNZQD-PCLIKHOPSA-N 0 0 488.403 5.929 40 30 JKEBRN C#CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000409207907 570167946 /nfs/dbraw/zinc/16/79/46/570167946.db2.gz CKXXOKBSTGIDEM-WSDLNYQXSA-N 0 0 453.707 5.414 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409207899 570167948 /nfs/dbraw/zinc/16/79/48/570167948.db2.gz CHURGNGZSMJXAY-DHRITJCHSA-N 0 0 460.755 6.449 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409207859 570167991 /nfs/dbraw/zinc/16/79/91/570167991.db2.gz BLRGJZKFGVYPNW-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OCc1ccccc1 ZINC000409208123 570168098 /nfs/dbraw/zinc/16/80/98/570168098.db2.gz BDFWZHIRBBOEIP-VCKRIQSUSA-N 0 0 498.692 7.837 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409208373 570168120 /nfs/dbraw/zinc/16/81/20/570168120.db2.gz BEPSTGMYHYIDFZ-AFUMVMLFSA-N 0 0 488.403 5.901 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409208155 570168131 /nfs/dbraw/zinc/16/81/31/570168131.db2.gz BKPOPMLTRMRUSW-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409208380 570168216 /nfs/dbraw/zinc/16/82/16/570168216.db2.gz BGXYUEMUOWWXMA-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1C ZINC000409208424 570168251 /nfs/dbraw/zinc/16/82/51/570168251.db2.gz BXQHRRZPCZYVKX-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409208580 570168337 /nfs/dbraw/zinc/16/83/37/570168337.db2.gz CPQJEFUOWUHQOU-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)o2)ccc1Cl ZINC000409208718 570168351 /nfs/dbraw/zinc/16/83/51/570168351.db2.gz CRKWJESDRIIKKB-BKUYFWCQSA-N 0 0 482.945 5.677 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c([N+](=O)[O-])c1 ZINC000409208692 570168371 /nfs/dbraw/zinc/16/83/71/570168371.db2.gz CCPDILPXQSBCSI-ONUIUJJFSA-N 0 0 455.426 6.838 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409208636 570168373 /nfs/dbraw/zinc/16/83/73/570168373.db2.gz DHDQMPDLHPHELM-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000409208980 570168468 /nfs/dbraw/zinc/16/84/68/570168468.db2.gz BIWSJUZWXGSGNR-JFLMPSFJSA-N 0 0 470.377 6.973 40 30 JKEBRN Fc1cccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409208864 570168487 /nfs/dbraw/zinc/16/84/87/570168487.db2.gz CSNLPOLPDVLESO-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000409209029 570168496 /nfs/dbraw/zinc/16/84/96/570168496.db2.gz FADMVZVUKQPDHU-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000409208929 570168502 /nfs/dbraw/zinc/16/85/02/570168502.db2.gz AVKKRZVXPKKMNM-VUTHCHCSSA-N 0 0 452.510 6.256 40 30 JKEBRN Fc1ccccc1COc1c(Br)cc(Br)cc1/C=N/c1ccccc1 ZINC000409208801 570168504 /nfs/dbraw/zinc/16/85/04/570168504.db2.gz CCVLLKPWSIOBNA-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409208901 570168506 /nfs/dbraw/zinc/16/85/06/570168506.db2.gz DCJFTNWVXULKKY-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409209141 570168615 /nfs/dbraw/zinc/16/86/15/570168615.db2.gz GGVBYYQSXPGWAP-WYMPLXKRSA-N 0 0 476.272 6.751 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209270 570168682 /nfs/dbraw/zinc/16/86/82/570168682.db2.gz IMJJDGSGGNEJTC-WRIATZMJSA-N 0 0 483.590 5.662 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409209320 570168711 /nfs/dbraw/zinc/16/87/11/570168711.db2.gz IXZUHTYTCRTUDA-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409209333 570168718 /nfs/dbraw/zinc/16/87/18/570168718.db2.gz FWQDFWFDLHECEW-VULFUBBASA-N 0 0 485.365 6.555 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409209375 570168775 /nfs/dbraw/zinc/16/87/75/570168775.db2.gz GKGLZIBZCVIHMG-JFLMPSFJSA-N 0 0 499.392 6.945 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409209513 570168845 /nfs/dbraw/zinc/16/88/45/570168845.db2.gz FZYRRQLQJLBZIC-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000409209559 570168903 /nfs/dbraw/zinc/16/89/03/570168903.db2.gz GZMDSCDKWJXTHH-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409209520 570168919 /nfs/dbraw/zinc/16/89/19/570168919.db2.gz CCLKUKDABUVPQJ-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409209855 570168979 /nfs/dbraw/zinc/16/89/79/570168979.db2.gz JLISFAHNPKTJIN-VULFUBBASA-N 0 0 458.783 7.003 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1O ZINC000409209863 570169010 /nfs/dbraw/zinc/16/90/10/570169010.db2.gz JMXKJOBPIXUHNN-RQZCQDPDSA-N 0 0 452.384 5.842 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccc(C)cc2C)c1 ZINC000409209696 570169049 /nfs/dbraw/zinc/16/90/49/570169049.db2.gz HVYNLSOCHVGBOK-VULFUBBASA-N 0 0 451.364 6.142 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409210016 570169134 /nfs/dbraw/zinc/16/91/34/570169134.db2.gz JDVAVNJXPXYMSM-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1 ZINC000409210065 570169140 /nfs/dbraw/zinc/16/91/40/570169140.db2.gz KRTPACXOXTXIEB-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3ccc(C)cc3)cc2Br)cc1 ZINC000409210004 570169154 /nfs/dbraw/zinc/16/91/54/570169154.db2.gz KKCVSZCMXYLPMZ-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OCC)c1OCC ZINC000409210184 570169283 /nfs/dbraw/zinc/16/92/83/570169283.db2.gz IOMONSFYDDPMHO-WBDLXYTISA-N 0 0 450.648 7.047 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409210199 570169292 /nfs/dbraw/zinc/16/92/92/570169292.db2.gz FLQVXBZKUMNSFB-MUFRIFMGSA-N 0 0 493.346 8.024 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(C)c1 ZINC000409210253 570169303 /nfs/dbraw/zinc/16/93/03/570169303.db2.gz IWIVHBBTJNDKKX-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1C(C)C ZINC000409210173 570169313 /nfs/dbraw/zinc/16/93/13/570169313.db2.gz ITBNGGWCWRYXGQ-RRJMXWIWSA-N 0 0 473.436 6.117 40 30 JKEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccc(OC2CCCC2)c1 ZINC000261366207 570169432 /nfs/dbraw/zinc/16/94/32/570169432.db2.gz XZLLWLSQYYRHDJ-AREMUKBSSA-O 0 0 489.621 5.040 40 30 JKEBRN CCOc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409210468 570169475 /nfs/dbraw/zinc/16/94/75/570169475.db2.gz IXYFVDIWRHGECN-BTXRRSKUSA-N 0 0 490.261 5.699 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccccc1 ZINC000409210388 570169480 /nfs/dbraw/zinc/16/94/80/570169480.db2.gz KWPUIZAMDMEVFX-RDRPBHBLSA-N 0 0 488.381 7.580 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c([N+](=O)[O-])c1 ZINC000409210589 570169536 /nfs/dbraw/zinc/16/95/36/570169536.db2.gz LOOWEEVPFAGPNK-JVWAILMASA-N 0 0 489.871 7.492 40 30 JKEBRN O=S(=O)(Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1)c1ccccc1 ZINC000409210596 570169546 /nfs/dbraw/zinc/16/95/46/570169546.db2.gz LROGZYLADXLNNJ-LPYMAVHISA-N 0 0 495.192 5.730 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c(C)c1 ZINC000409210929 570169680 /nfs/dbraw/zinc/16/96/80/570169680.db2.gz LSFNAIJBHQZOSH-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409210852 570169689 /nfs/dbraw/zinc/16/96/89/570169689.db2.gz LSJIDXWQKIKEJM-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409210964 570169712 /nfs/dbraw/zinc/16/97/12/570169712.db2.gz MGHBYEXVBVZYDQ-CVKSISIWSA-N 0 0 496.975 7.185 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OCC)c2)cc1 ZINC000409211187 570169831 /nfs/dbraw/zinc/16/98/31/570169831.db2.gz MKYPIKVVNQBMJR-UXHLAJHPSA-N 0 0 459.973 7.620 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1cccc(F)c1 ZINC000409211267 570169922 /nfs/dbraw/zinc/16/99/22/570169922.db2.gz IKVDMLVNCHMMQW-AFUMVMLFSA-N 0 0 475.301 6.159 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1Cl ZINC000409211398 570169925 /nfs/dbraw/zinc/16/99/25/570169925.db2.gz IYDMRVCZPDVAQU-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN Cc1ccccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409211505 570170025 /nfs/dbraw/zinc/17/00/25/570170025.db2.gz JOLJPVIVILUJCU-RPPGKUMJSA-N 0 0 479.252 7.227 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409211743 570170163 /nfs/dbraw/zinc/17/01/63/570170163.db2.gz OCLODZGKGLMZIN-DEDYPNTBSA-N 0 0 462.487 5.072 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409211706 570170167 /nfs/dbraw/zinc/17/01/67/570170167.db2.gz NXQZUTFVNYBTPG-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl ZINC000409211935 570170269 /nfs/dbraw/zinc/17/02/69/570170269.db2.gz PGZCQNKGPYSLEN-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409211844 570170284 /nfs/dbraw/zinc/17/02/84/570170284.db2.gz OVXNIXMKHRRAMA-AFUMVMLFSA-N 0 0 464.370 6.083 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(F)cc1 ZINC000409211794 570170309 /nfs/dbraw/zinc/17/03/09/570170309.db2.gz NBRKRZFQEQKALP-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000409211989 570170312 /nfs/dbraw/zinc/17/03/12/570170312.db2.gz PLPGBVCSBOZDGE-OPEKNORGSA-N 0 0 489.207 7.127 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[C@@H](c1ccccc1)CC2 ZINC000261526569 570170325 /nfs/dbraw/zinc/17/03/25/570170325.db2.gz BEHIRDACEFQJJH-INIZCTEOSA-N 0 0 461.637 6.233 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409212039 570170355 /nfs/dbraw/zinc/17/03/55/570170355.db2.gz PGPJMKZUVFIKQO-ZMOGYAJESA-N 0 0 475.180 6.550 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409212010 570170378 /nfs/dbraw/zinc/17/03/78/570170378.db2.gz LIYCJVOPLYWHOQ-XODNFHPESA-N 0 0 478.854 7.517 40 30 JKEBRN Cc1nc(SCC(=O)Nc2ccccc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 ZINC000261526682 570170365 /nfs/dbraw/zinc/17/03/65/570170365.db2.gz GVZWJUXNHKMXFZ-UHFFFAOYSA-N 0 0 494.414 5.489 40 30 JKEBRN CCOc1ccc2c(c1)S[C@@H](S[C@H](CC)C(=O)Nc1sc3c(c1C#N)CCCC3)N2 ZINC000261526700 570170373 /nfs/dbraw/zinc/17/03/73/570170373.db2.gz HGBVQCPQPVVLMD-VGOFRKELSA-N 0 0 459.662 5.849 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCC4)sc2C1 ZINC000261526711 570170393 /nfs/dbraw/zinc/17/03/93/570170393.db2.gz HOVTWOGYUDLKFJ-MRXNPFEDSA-N 0 0 450.633 5.257 40 30 JKEBRN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@@H]3CC(=O)N(c4ccccc4)C3=O)n2)cc1 ZINC000261526672 570170407 /nfs/dbraw/zinc/17/04/07/570170407.db2.gz GHYKJXKEQJIANI-HXUWFJFHSA-N 0 0 483.471 5.072 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409212297 570170461 /nfs/dbraw/zinc/17/04/61/570170461.db2.gz POPVIDKODNTEDN-MZJWZYIUSA-N 0 0 457.357 6.469 40 30 JKEBRN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000261526961 570170474 /nfs/dbraw/zinc/17/04/74/570170474.db2.gz RUXSNZBCWGVBAW-KRWDZBQOSA-N 0 0 493.919 5.778 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCC4)sc2C1 ZINC000261526965 570170489 /nfs/dbraw/zinc/17/04/89/570170489.db2.gz SAPVELCQKWHJFC-KRWDZBQOSA-N 0 0 464.660 5.647 40 30 JKEBRN N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000261526873 570170504 /nfs/dbraw/zinc/17/05/04/570170504.db2.gz NVCJCHBWQQZSHF-VWLOTQADSA-N 0 0 497.526 5.990 40 30 JKEBRN CC(C)(C)c1ccc(/C=C2/N=C(SCC(=O)Nc3ccccc3C#N)N(c3ccccc3)C2=O)cc1 ZINC000261526849 570170522 /nfs/dbraw/zinc/17/05/22/570170522.db2.gz NDKIKFDRIYZFPX-KOEQRZSOSA-N 0 0 494.620 5.971 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1C ZINC000409212633 570170536 /nfs/dbraw/zinc/17/05/36/570170536.db2.gz RPYCUPJKPIKGPS-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)c1 ZINC000409212759 570170641 /nfs/dbraw/zinc/17/06/41/570170641.db2.gz QWUAYOGDBAZWNZ-VULFUBBASA-N 0 0 451.364 6.142 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409212747 570170655 /nfs/dbraw/zinc/17/06/55/570170655.db2.gz QNABJMJHKDZOPI-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409212712 570170689 /nfs/dbraw/zinc/17/06/89/570170689.db2.gz PUAIZNZAGAPBOE-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3cccc(C)c3C)cc2Br)cc1 ZINC000409212736 570170691 /nfs/dbraw/zinc/17/06/91/570170691.db2.gz QFHWKLPTPICRPD-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000409212791 570170707 /nfs/dbraw/zinc/17/07/07/570170707.db2.gz RGASMJQBYPOKRS-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409212936 570170758 /nfs/dbraw/zinc/17/07/58/570170758.db2.gz RVCJGKOECJPRLH-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409212999 570170770 /nfs/dbraw/zinc/17/07/70/570170770.db2.gz RXNURGQKJPNKMO-AFUMVMLFSA-N 0 0 453.336 5.534 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1cccc(Cl)c1 ZINC000409212993 570170777 /nfs/dbraw/zinc/17/07/77/570170777.db2.gz RWUODBGLVQXMRF-AFUMVMLFSA-N 0 0 491.756 6.673 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409212984 570170778 /nfs/dbraw/zinc/17/07/78/570170778.db2.gz NTHLLRHLOVCSFZ-ZMOGYAJESA-N 0 0 494.794 5.938 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409212878 570170793 /nfs/dbraw/zinc/17/07/93/570170793.db2.gz RKFGEEUCJMMFGZ-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409213073 570170903 /nfs/dbraw/zinc/17/09/03/570170903.db2.gz SCQAWYFLSWHBLX-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409213455 570170999 /nfs/dbraw/zinc/17/09/99/570170999.db2.gz VNEJOPCXEUDTQQ-CVKSISIWSA-N 0 0 457.979 6.182 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)c1 ZINC000409213257 570171000 /nfs/dbraw/zinc/17/10/00/570171000.db2.gz SDBZSJYPZGLKFN-KWMKVIAQSA-N 0 0 485.653 6.847 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409213366 570171017 /nfs/dbraw/zinc/17/10/17/570171017.db2.gz TUJGDRQWGGZJKC-MUFRIFMGSA-N 0 0 474.398 7.557 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409213383 570171031 /nfs/dbraw/zinc/17/10/31/570171031.db2.gz UCVCTFPNBAPMCM-DHRITJCHSA-N 0 0 469.881 6.715 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409213332 570171034 /nfs/dbraw/zinc/17/10/34/570171034.db2.gz UPLKKBKKMKIODM-MFKUBSTISA-N 0 0 488.403 5.847 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1 ZINC000409213599 570171138 /nfs/dbraw/zinc/17/11/38/570171138.db2.gz SHPHRJSFVQUXJX-OEAKJJBVSA-N 0 0 460.349 5.284 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 ZINC000409213770 570171280 /nfs/dbraw/zinc/17/12/80/570171280.db2.gz VOZUXAUYMYURCM-ZMOGYAJESA-N 0 0 475.180 6.550 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409213833 570171286 /nfs/dbraw/zinc/17/12/86/570171286.db2.gz VTZNWFRMEGBCFX-ISHFRVPGSA-N 0 0 493.456 6.670 40 30 JKEBRN Fc1ccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409213755 570171287 /nfs/dbraw/zinc/17/12/87/570171287.db2.gz VDAADLNLJQRNTI-OKCVXOCRSA-N 0 0 466.339 8.254 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409214082 570171396 /nfs/dbraw/zinc/17/13/96/570171396.db2.gz XUCGSJCKKNLIDF-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1 ZINC000409214023 570171397 /nfs/dbraw/zinc/17/13/97/570171397.db2.gz WWFMBVBIFPBMKI-PCLIKHOPSA-N 0 0 459.951 5.656 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1C(C)C ZINC000409214099 570171416 /nfs/dbraw/zinc/17/14/16/570171416.db2.gz VWGXDDPMQUFOJL-HSRYIGQESA-N 0 0 489.597 6.416 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409214094 570171417 /nfs/dbraw/zinc/17/14/17/570171417.db2.gz RAIBPZFUOHODFA-CVKSISIWSA-N 0 0 454.910 6.375 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1C(C)C ZINC000409214057 570171432 /nfs/dbraw/zinc/17/14/32/570171432.db2.gz XJCKFFNZKMLLPZ-YRTYMPHOSA-N 0 0 497.875 7.315 40 30 JKEBRN Brc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409214024 570171439 /nfs/dbraw/zinc/17/14/39/570171439.db2.gz WWLZHIMEEHKYAN-MTDXEUNCSA-N 0 0 458.355 7.571 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409214155 570171559 /nfs/dbraw/zinc/17/15/59/570171559.db2.gz RKPVDKMECWVDNY-BHGWPJFGSA-N 0 0 476.272 6.670 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409214196 570171561 /nfs/dbraw/zinc/17/15/61/570171561.db2.gz WNDUAWPSBPOADB-MZJWZYIUSA-N 0 0 457.357 6.469 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Br)c1 ZINC000409214324 570171605 /nfs/dbraw/zinc/17/16/05/570171605.db2.gz WYELGNRPCXQAFS-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000409214311 570171618 /nfs/dbraw/zinc/17/16/18/570171618.db2.gz WUGYTVVPZZLNFL-ACYAHPIESA-N 0 0 483.472 6.114 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409214425 570171636 /nfs/dbraw/zinc/17/16/36/570171636.db2.gz SYJHOYMMSRFVEW-LGJNPRDNSA-N 0 0 487.781 6.188 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409214896 570171900 /nfs/dbraw/zinc/17/19/00/570171900.db2.gz YLTQVNVCYOLOBU-JFLMPSFJSA-N 0 0 472.810 7.393 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409215367 570172066 /nfs/dbraw/zinc/17/20/66/570172066.db2.gz ZSUTZKRTVQXAJF-AFUMVMLFSA-N 0 0 491.756 6.673 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409215273 570172071 /nfs/dbraw/zinc/17/20/71/570172071.db2.gz WOKZTEGWRKGYJB-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1C ZINC000409215324 570172096 /nfs/dbraw/zinc/17/20/96/570172096.db2.gz XPEVDJSTFMBENR-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409215420 570172123 /nfs/dbraw/zinc/17/21/23/570172123.db2.gz YMLANGHHNYKXCG-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000409215511 570172240 /nfs/dbraw/zinc/17/22/40/570172240.db2.gz AFBUWBZUHMUJLA-KKUKGBFASA-N 0 0 474.626 6.517 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409215551 570172243 /nfs/dbraw/zinc/17/22/43/570172243.db2.gz BAKIICXMHNGPBS-ASCZMWPCSA-N 0 0 491.028 6.546 40 30 JKEBRN Cc1c(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409215550 570172245 /nfs/dbraw/zinc/17/22/45/570172245.db2.gz AZYKVQCTXUJTLU-MSXFZWOLSA-N 0 0 487.581 5.105 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409215837 570172326 /nfs/dbraw/zinc/17/23/26/570172326.db2.gz BNYFBNSYHNKYEG-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409215871 570172334 /nfs/dbraw/zinc/17/23/34/570172334.db2.gz FYZDLMFRVKDFIK-OCSSWDANSA-N 0 0 478.375 8.124 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409215685 570172339 /nfs/dbraw/zinc/17/23/39/570172339.db2.gz DLELAJVLWVQTFN-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409216077 570172452 /nfs/dbraw/zinc/17/24/52/570172452.db2.gz DUBSUDRJHBANQE-UVHCEKQDSA-N 0 0 489.037 6.125 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000409215953 570172476 /nfs/dbraw/zinc/17/24/76/570172476.db2.gz CKPMTOATAOPCKV-FOKLQQMPSA-N 0 0 490.697 6.770 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccc4ccccc4c3)sc2C1 ZINC000409216084 570172483 /nfs/dbraw/zinc/17/24/83/570172483.db2.gz HWQGOXBHDZECIP-UTOCKENXSA-N 0 0 478.661 8.254 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F ZINC000409216188 570172557 /nfs/dbraw/zinc/17/25/57/570172557.db2.gz GBEJDJIJQISYRQ-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C(=NO)C3=O ZINC000263595042 570172575 /nfs/dbraw/zinc/17/25/75/570172575.db2.gz DCXLPAQDVMWNSP-CZIKHTJUSA-N 0 0 485.709 6.357 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C(=NO)C3=O ZINC000263595044 570172586 /nfs/dbraw/zinc/17/25/86/570172586.db2.gz DCXLPAQDVMWNSP-PPSUYBRKSA-N 0 0 485.709 6.357 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCCC(C)C)[C@]1(C)CC3 ZINC000263613377 570172627 /nfs/dbraw/zinc/17/26/27/570172627.db2.gz ZFHQSJSZZADTSC-FEIDEKDISA-N 0 0 484.765 8.309 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409216348 570172665 /nfs/dbraw/zinc/17/26/65/570172665.db2.gz KCTACHOTKOZCMI-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1 ZINC000409216305 570172684 /nfs/dbraw/zinc/17/26/84/570172684.db2.gz GUNOWULDADVMNN-LGJNPRDNSA-N 0 0 487.781 6.188 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)c1 ZINC000409216456 570172697 /nfs/dbraw/zinc/17/26/97/570172697.db2.gz LHBRXRWBTHUVKB-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409216367 570172708 /nfs/dbraw/zinc/17/27/08/570172708.db2.gz KLCILAQYKNVXPK-WYMPLXKRSA-N 0 0 469.953 6.456 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1Cl ZINC000409216335 570172723 /nfs/dbraw/zinc/17/27/23/570172723.db2.gz HJJOFCKDTOBOMG-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1OCC ZINC000409216382 570172732 /nfs/dbraw/zinc/17/27/32/570172732.db2.gz HSTYIBNYJPWIMD-BIOVLPJHSA-N 0 0 489.479 7.081 40 30 JKEBRN Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc21 ZINC000409216626 570172745 /nfs/dbraw/zinc/17/27/45/570172745.db2.gz MTRQCQKUFYKLCR-UZWMFBFFSA-N 0 0 463.964 8.615 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409216777 570172909 /nfs/dbraw/zinc/17/29/09/570172909.db2.gz OJYKEIRSTOITSY-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409217137 570172983 /nfs/dbraw/zinc/17/29/83/570172983.db2.gz SIDLWOXHOPVRQG-MYVOUCEISA-N 0 0 459.011 6.017 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409216996 570172998 /nfs/dbraw/zinc/17/29/98/570172998.db2.gz MYOUOTIILRLPFQ-XODNFHPESA-N 0 0 478.854 7.517 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1 ZINC000409217091 570173012 /nfs/dbraw/zinc/17/30/12/570173012.db2.gz RLQJOHPVXVXPLP-KVSWJAHQSA-N 0 0 475.803 7.340 40 30 JKEBRN Brc1cc(Br)c(OCc2cccc3ccccc32)c(/C=N/c2ccccc2)c1 ZINC000409217139 570173022 /nfs/dbraw/zinc/17/30/22/570173022.db2.gz SJEQASQBVIDNMV-JFLMPSFJSA-N 0 0 495.214 7.694 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1 ZINC000409217368 570173091 /nfs/dbraw/zinc/17/30/91/570173091.db2.gz PMYYHYUOEXCMIX-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1ccccc1 ZINC000409217348 570173138 /nfs/dbraw/zinc/17/31/38/570173138.db2.gz PJEXZJOHBIZAOZ-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1Cl ZINC000409217629 570173205 /nfs/dbraw/zinc/17/32/05/570173205.db2.gz DVGTYOOTTRLEIU-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409217450 570173206 /nfs/dbraw/zinc/17/32/06/570173206.db2.gz VEGWIRQCQSNUOF-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409217407 570173213 /nfs/dbraw/zinc/17/32/13/570173213.db2.gz UITJCZHZPLCZQV-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409217475 570173225 /nfs/dbraw/zinc/17/32/25/570173225.db2.gz VWHJJGXFSWPDRL-CVKSISIWSA-N 0 0 454.364 6.494 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409217607 570173238 /nfs/dbraw/zinc/17/32/38/570173238.db2.gz QQXYCQDEIIHGPP-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccccc1F ZINC000409217547 570173239 /nfs/dbraw/zinc/17/32/39/570173239.db2.gz PWGUBKPUQQSONM-DHRITJCHSA-N 0 0 475.301 6.077 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217469 570173240 /nfs/dbraw/zinc/17/32/40/570173240.db2.gz VSOYLRPDQXVJHI-DHRITJCHSA-N 0 0 469.335 6.312 40 30 JKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000409217642 570173308 /nfs/dbraw/zinc/17/33/08/570173308.db2.gz RCKSFZABKUFYBQ-OGLMXYFKSA-N 0 0 498.387 7.304 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000409217870 570173315 /nfs/dbraw/zinc/17/33/15/570173315.db2.gz XUZYPPJUKNUUET-WSDLNYQXSA-N 0 0 455.723 5.967 40 30 JKEBRN Cc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409217986 570173349 /nfs/dbraw/zinc/17/33/49/570173349.db2.gz RXNOAEXEGPHVKC-NEMZMNHHSA-N 0 0 485.653 6.847 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409217824 570173391 /nfs/dbraw/zinc/17/33/91/570173391.db2.gz XBDCQLMKJKVODD-JFLMPSFJSA-N 0 0 452.938 5.824 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409218234 570173453 /nfs/dbraw/zinc/17/34/53/570173453.db2.gz ZMBTUPQEMGKIIK-CVKSISIWSA-N 0 0 454.364 6.494 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c(C)c1 ZINC000409218122 570173464 /nfs/dbraw/zinc/17/34/64/570173464.db2.gz SSEYPSZCHACIHK-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409218186 570173468 /nfs/dbraw/zinc/17/34/68/570173468.db2.gz SZBNJXQHXSDLDL-CVKSISIWSA-N 0 0 467.363 5.788 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409218238 570173480 /nfs/dbraw/zinc/17/34/80/570173480.db2.gz ZNPGBMPQFQPLFK-YDZHTSKRSA-N 0 0 470.279 6.371 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409218610 570173559 /nfs/dbraw/zinc/17/35/59/570173559.db2.gz WEMXRAFSNOUYIE-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409218343 570173567 /nfs/dbraw/zinc/17/35/67/570173567.db2.gz UJWSVLAWAMVZJO-FSJBWODESA-N 0 0 490.151 6.449 40 30 JKEBRN COc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409218442 570173573 /nfs/dbraw/zinc/17/35/73/570173573.db2.gz VGNLSDVDBVWPLW-GUVYHVJLSA-N 0 0 476.234 5.309 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409218599 570173582 /nfs/dbraw/zinc/17/35/82/570173582.db2.gz VZVKHJYBVZRXON-ASCZMWPCSA-N 0 0 491.028 6.546 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409218399 570173594 /nfs/dbraw/zinc/17/35/94/570173594.db2.gz IPVKMCPSXBCTDJ-GIJQJNRQSA-N 0 0 480.767 5.917 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccccc1F ZINC000409218371 570173598 /nfs/dbraw/zinc/17/35/98/570173598.db2.gz URTIQGRPDRCDGT-DHRITJCHSA-N 0 0 475.301 6.077 40 30 JKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C ZINC000409218342 570173613 /nfs/dbraw/zinc/17/36/13/570173613.db2.gz UIEDBRGSPJVXFX-MIFQQCSCSA-N 0 0 456.568 5.100 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c1C ZINC000409218689 570173682 /nfs/dbraw/zinc/17/36/82/570173682.db2.gz XMKFVGOPAGVIAG-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409218693 570173686 /nfs/dbraw/zinc/17/36/86/570173686.db2.gz XMLWRXYWABYSIV-AMVVHIIESA-N 0 0 484.861 8.272 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409218636 570173700 /nfs/dbraw/zinc/17/37/00/570173700.db2.gz WROHUJCCAQVIPF-OCSSWDANSA-N 0 0 478.375 8.124 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409218639 570173703 /nfs/dbraw/zinc/17/37/03/570173703.db2.gz WTNFKUDNMRJYHM-FSJBWODESA-N 0 0 457.826 5.717 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409218645 570173726 /nfs/dbraw/zinc/17/37/26/570173726.db2.gz WYFYHDGKLJVMAT-OCSSWDANSA-N 0 0 488.425 7.947 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1cccc(F)c1 ZINC000409218953 570173888 /nfs/dbraw/zinc/17/38/88/570173888.db2.gz YWGDUICUZDHYBX-DHRITJCHSA-N 0 0 475.301 6.077 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409220164 570174026 /nfs/dbraw/zinc/17/40/26/570174026.db2.gz YWVHAKVGPQKOHO-MFKUBSTISA-N 0 0 453.336 5.616 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409221583 570174717 /nfs/dbraw/zinc/17/47/17/570174717.db2.gz SHYCWDYGYANKCD-MNEJGJRCSA-N 0 0 476.573 6.346 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000409222236 570174816 /nfs/dbraw/zinc/17/48/16/570174816.db2.gz BFAWUZCIGHIZLE-UHFFFAOYSA-N 0 0 491.971 5.794 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccccn1 ZINC000409222332 570174829 /nfs/dbraw/zinc/17/48/29/570174829.db2.gz WSESAELGNXUFLL-IJNUXEFVSA-N 0 0 462.663 6.427 40 30 JKEBRN 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YVCCGWGINKRGNG-OYKKKHCWSA-N 0 0 488.590 5.560 40 30 JKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1OCC ZINC000409328607 570203139 /nfs/dbraw/zinc/20/31/39/570203139.db2.gz YPXRSLNRQZBYLV-HZHRSRAPSA-N 0 0 480.586 5.449 40 30 JKEBRN C#CCOc1c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)cc1OC ZINC000409329246 570203289 /nfs/dbraw/zinc/20/32/89/570203289.db2.gz CSQCRGZZGFVDHJ-MFOYZWKCSA-N 0 0 494.819 5.529 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(OCC)c1OC ZINC000409329255 570203362 /nfs/dbraw/zinc/20/33/62/570203362.db2.gz CWUXSXUUSZVKOA-HZHRSRAPSA-N 0 0 494.613 5.621 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565920 570203654 /nfs/dbraw/zinc/20/36/54/570203654.db2.gz DGDBZWXAOKEXRA-FQEVSTJZSA-N 0 0 489.395 5.322 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408567560 570204146 /nfs/dbraw/zinc/20/41/46/570204146.db2.gz GVXQGQSHHGNWNX-IBGZPJMESA-N 0 0 495.388 5.566 40 30 JKEBRN CCOc1cc(C=NN2C(=O)CSC2=S)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409330999 570204179 /nfs/dbraw/zinc/20/41/79/570204179.db2.gz NWMPWYALSARSCR-AFPJDJCSSA-N 0 0 455.388 5.165 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)SC1=S ZINC000408571692 570204820 /nfs/dbraw/zinc/20/48/20/570204820.db2.gz CNKLSGBQKVYTIV-MOSHPQCFSA-N 0 0 452.601 5.017 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S ZINC000408571980 570204867 /nfs/dbraw/zinc/20/48/67/570204867.db2.gz DQPMKUPHBXVLIW-WQRHYEAKSA-N 0 0 478.517 5.110 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)SC1=S ZINC000408572227 570204922 /nfs/dbraw/zinc/20/49/22/570204922.db2.gz FSSWXYQUYCACMH-NDENLUEZSA-N 0 0 489.018 5.062 40 30 JKEBRN C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408573425 570205163 /nfs/dbraw/zinc/20/51/63/570205163.db2.gz SSWNYIVPVDHQIO-HXUWFJFHSA-N 0 0 474.970 5.221 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC ZINC000408573611 570205227 /nfs/dbraw/zinc/20/52/27/570205227.db2.gz TYIVWQCFWHZHNE-NRFANRHFSA-N 0 0 488.997 5.611 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)SC1=S ZINC000408574317 570205402 /nfs/dbraw/zinc/20/54/02/570205402.db2.gz LVKBCBLSYGIYTP-WQRHYEAKSA-N 0 0 478.517 5.110 40 30 JKEBRN O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000408574881 570205490 /nfs/dbraw/zinc/20/54/90/570205490.db2.gz FHWZFHHXSLLACO-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408575271 570205625 /nfs/dbraw/zinc/20/56/25/570205625.db2.gz IRJCDUJBQMTCLC-UHFFFAOYSA-N 0 0 461.901 5.219 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1 ZINC000408575559 570205747 /nfs/dbraw/zinc/20/57/47/570205747.db2.gz MKUMNJVCTLDNOC-UHFFFAOYSA-N 0 0 455.510 5.128 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000408576633 570205949 /nfs/dbraw/zinc/20/59/49/570205949.db2.gz YBBSQJULRUACDI-UHFFFAOYSA-N 0 0 469.537 5.491 40 30 JKEBRN O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1Cl ZINC000408576602 570205960 /nfs/dbraw/zinc/20/59/60/570205960.db2.gz XFNYEQZKMPBWDM-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408576540 570205977 /nfs/dbraw/zinc/20/59/77/570205977.db2.gz WHFJNMJIIBKFAH-UHFFFAOYSA-N 0 0 482.319 5.482 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408576699 570206049 /nfs/dbraw/zinc/20/60/49/570206049.db2.gz ZBECLIOSLFQGOA-UHFFFAOYSA-N 0 0 475.928 5.527 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)SC1=S ZINC000408577848 570206188 /nfs/dbraw/zinc/20/61/88/570206188.db2.gz UUPYXXTVHZIDRA-ODLFYWEKSA-N 0 0 458.992 5.053 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OCC)c2)SC1=S ZINC000408577829 570206191 /nfs/dbraw/zinc/20/61/91/570206191.db2.gz UOZDTPZHLVSNDY-HMAPJEAMSA-N 0 0 482.627 5.107 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)SC1=S ZINC000408578860 570206382 /nfs/dbraw/zinc/20/63/82/570206382.db2.gz ZYNLRVKBHZQMKT-HMAPJEAMSA-N 0 0 482.627 5.107 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)c4c(n3)CCCC4)sc2C1 ZINC000408582019 570206873 /nfs/dbraw/zinc/20/68/73/570206873.db2.gz LCHKOPIWCHBYAX-MRXNPFEDSA-N 0 0 468.692 5.869 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)sc2C1 ZINC000408582141 570206899 /nfs/dbraw/zinc/20/68/99/570206899.db2.gz MCEKQLLGDMOBDE-IBGZPJMESA-N 0 0 490.698 6.657 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3NC(C)=O)sc2C1 ZINC000408583576 570207339 /nfs/dbraw/zinc/20/73/39/570207339.db2.gz VMJLQUDCHHUQCC-MRXNPFEDSA-N 0 0 455.649 5.850 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(COc4ccccc4)n3)sc2C1 ZINC000408583833 570207408 /nfs/dbraw/zinc/20/74/08/570207408.db2.gz XFCCKTSJLCPLME-MRXNPFEDSA-N 0 0 495.674 5.589 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000408588053 570208448 /nfs/dbraw/zinc/20/84/48/570208448.db2.gz BDROBNOSWUMTSC-BRJLIKDPSA-N 0 0 461.352 5.865 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408587866 570208465 /nfs/dbraw/zinc/20/84/65/570208465.db2.gz AKETUDQOFUCYJJ-LGJNPRDNSA-N 0 0 451.866 5.258 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2I)cc1 ZINC000408588573 570208545 /nfs/dbraw/zinc/20/85/45/570208545.db2.gz BWYXTLKSHNZSIP-VULFUBBASA-N 0 0 482.321 5.601 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)c(Br)cc1OCc1ccccc1F ZINC000408588613 570208623 /nfs/dbraw/zinc/20/86/23/570208623.db2.gz CAQOIDKFFMZOMT-UVHMKAGCSA-N 0 0 469.310 5.598 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000408589219 570208680 /nfs/dbraw/zinc/20/86/80/570208680.db2.gz LACAHKNVGVRCFJ-OOKUNRFTSA-N 0 0 489.550 5.459 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408588952 570208714 /nfs/dbraw/zinc/20/87/14/570208714.db2.gz CKPGQTFVYWOGLN-LGJNPRDNSA-N 0 0 455.739 6.104 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000408589223 570208722 /nfs/dbraw/zinc/20/87/22/570208722.db2.gz LACAHKNVGVRCFJ-ZMAQMCCHSA-N 0 0 489.550 5.459 40 30 JKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408589609 570208818 /nfs/dbraw/zinc/20/88/18/570208818.db2.gz FCADENNOOVWDIJ-LQKURTRISA-N 0 0 464.493 5.991 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccccc1 ZINC000408589568 570208824 /nfs/dbraw/zinc/20/88/24/570208824.db2.gz LXYSWRBHCMWUNP-XAOGQPDYSA-N 0 0 471.560 5.320 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000408589862 570208896 /nfs/dbraw/zinc/20/88/96/570208896.db2.gz NFFGPQHUDFSOOY-HNSNBQBZSA-N 0 0 475.979 8.297 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408590642 570209057 /nfs/dbraw/zinc/20/90/57/570209057.db2.gz HIGTVHLXALWIGR-DHRITJCHSA-N 0 0 466.291 5.359 40 30 JKEBRN CCOc1cccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)c1 ZINC000408590613 570209076 /nfs/dbraw/zinc/20/90/76/570209076.db2.gz PXBKYCGQGVZHRL-UXHLAJHPSA-N 0 0 452.510 6.652 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1cccc(Cl)c1 ZINC000408590694 570209081 /nfs/dbraw/zinc/20/90/81/570209081.db2.gz QGHCJAMNEQPBNY-HNSNBQBZSA-N 0 0 475.979 8.297 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408590839 570209135 /nfs/dbraw/zinc/20/91/35/570209135.db2.gz IGHJAZRGPGVAAE-LGJNPRDNSA-N 0 0 451.866 5.258 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408590813 570209157 /nfs/dbraw/zinc/20/91/57/570209157.db2.gz IBWNXLGGADBZGA-AFUMVMLFSA-N 0 0 485.334 5.886 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)c(Br)cc1OCc1cccc(F)c1 ZINC000408591850 570209317 /nfs/dbraw/zinc/20/93/17/570209317.db2.gz KVDGOMXENZCZTI-UVHMKAGCSA-N 0 0 469.310 5.598 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c1 ZINC000408592165 570209399 /nfs/dbraw/zinc/20/93/99/570209399.db2.gz LIEYCMZTSRUWGV-CCVNUDIWSA-N 0 0 481.335 7.185 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408593492 570209776 /nfs/dbraw/zinc/20/97/76/570209776.db2.gz PZEHSMWDHJMILH-LGJNPRDNSA-N 0 0 458.873 5.916 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408593328 570209793 /nfs/dbraw/zinc/20/97/93/570209793.db2.gz PHHYZWHRQIAVNX-DHRITJCHSA-N 0 0 453.882 5.125 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408593473 570209798 /nfs/dbraw/zinc/20/97/98/570209798.db2.gz PSADXQLZBKRMGL-KKMKTNMSSA-N 0 0 490.184 6.757 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000408593459 570209799 /nfs/dbraw/zinc/20/97/99/570209799.db2.gz PQACJDVMRNIXHW-OPEKNORGSA-N 0 0 465.720 6.685 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000016269348 125251103 /nfs/dbraw/zinc/25/11/03/125251103.db2.gz GMYGTBHSFDRWPM-CCMWGVGDSA-N 0 0 481.621 7.108 40 30 JKEBRN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000012376026 124301124 /nfs/dbraw/zinc/30/11/24/124301124.db2.gz JHLHHDQLSRDRPZ-JEJOEQLISA-N 0 0 495.560 6.528 40 30 JKEBRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000031153417 291600407 /nfs/dbraw/zinc/60/04/07/291600407.db2.gz SXVJTBWKWIMJSX-WIYYLYMNSA-N 0 0 465.479 5.613 40 30 biogenic,in-vitro JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2C#N)cc1 ZINC000000850381 193927210 /nfs/dbraw/zinc/92/72/10/193927210.db2.gz MSHVOLLITPGJFK-UHFFFAOYSA-N 0 0 472.595 5.792 40 30 JKEBRN CC(C)(C)c1ccc2c(c1)[C@@](O)(C#Cc1ccccc1)c1ccccc1[C@]2(O)C#Cc1ccccc1 ZINC000001564309 194128145 /nfs/dbraw/zinc/12/81/45/194128145.db2.gz LWUZJNVYLHZNBG-KKLWWLSJSA-N 0 0 468.596 5.873 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C[C@@]12C#N ZINC000001780799 194139026 /nfs/dbraw/zinc/13/90/26/194139026.db2.gz FVGRHJMGMRLGAA-ACIOBRDBSA-N 0 0 453.681 5.346 40 30 JKEBRN CCCN(C(=O)c1ccccc1)[C@H](C#N)c1ccc([C@@H](C#N)N(CCC)C(=O)c2ccccc2)cc1 ZINC000001647940 194130554 /nfs/dbraw/zinc/13/05/54/194130554.db2.gz OFOKBZWIWDQVOD-VSGBNLITSA-N 0 0 478.596 5.921 40 30 JKEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000003073370 194223978 /nfs/dbraw/zinc/22/39/78/194223978.db2.gz JMYJEXWDZWQNCJ-FQEVSTJZSA-N 0 0 486.362 5.200 40 30 JKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5)cc4)cc3)sc2c1 ZINC000003146097 194232047 /nfs/dbraw/zinc/23/20/47/194232047.db2.gz GZQIJKZNEJKIAH-OCSSWDANSA-N 0 0 482.992 7.895 40 30 JKEBRN COc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1 ZINC000003283667 194263187 /nfs/dbraw/zinc/26/31/87/194263187.db2.gz GKGLMBVHUSSJEE-XODNFHPESA-N 0 0 493.938 6.267 40 30 JKEBRN COc1ccc(/N=c2/scc(-c3ccc(Br)s3)n2/N=C/c2ccc(C)cc2C)cc1 ZINC000003345893 194293154 /nfs/dbraw/zinc/29/31/54/194293154.db2.gz CQCOSPJQARMJBY-OYTNLALESA-N 0 0 498.471 6.781 40 30 JKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000003666507 194356996 /nfs/dbraw/zinc/35/69/96/194356996.db2.gz QLTWPZSBBOWKSR-NDENLUEZSA-N 0 0 489.811 7.117 40 30 JKEBRN O=C(N=C1C(c2ccccc2)(c2ccccc2)SC1(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004265437 194386710 /nfs/dbraw/zinc/38/67/10/194386710.db2.gz ZFYSVAMXRTXZOI-UHFFFAOYSA-N 0 0 495.647 7.902 40 30 JKEBRN CC1=CC(O)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004266921 194386747 /nfs/dbraw/zinc/38/67/47/194386747.db2.gz OIEKVVDJPPURMU-ONELGEAISA-N 0 0 488.709 6.392 40 30 JKEBRN CC(C)(C)C(=O)N=C1C(c2ccccc2)(c2ccccc2)SC1(c1ccccc1)c1ccccc1 ZINC000004265435 194386786 /nfs/dbraw/zinc/38/67/86/194386786.db2.gz DBKMPOIKZCKDTP-UHFFFAOYSA-N 0 0 475.657 7.635 40 30 JKEBRN Cc1ccc(-c2c3cc(C)ccc3oc2CCC(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004293261 194387696 /nfs/dbraw/zinc/38/76/96/194387696.db2.gz ORBJRSKYCIHMFR-OVVQPSECSA-N 0 0 472.501 6.954 40 30 JKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)OCCCC(O)(CC)CC)C[C@@H](O)C[C@@H]1O ZINC000004474609 194390556 /nfs/dbraw/zinc/39/05/56/194390556.db2.gz KLZOTDOJMRMLDX-YBBVPDDNSA-N 0 0 460.699 5.864 40 30 investigational JKEBRN Cc1ncc(COC(=O)c2ccccc2)c(/C=N\OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 ZINC000004552032 194391942 /nfs/dbraw/zinc/39/19/42/194391942.db2.gz PXCIFLMRKUKLLO-MNBJERMJSA-N 0 0 494.503 5.157 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000004762602 194396266 /nfs/dbraw/zinc/39/62/66/194396266.db2.gz PIMMQBJFTSQWFM-IPEONRORSA-N 0 0 499.607 5.452 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@@H]2c1cccc(Cl)c1 ZINC000004764170 194396660 /nfs/dbraw/zinc/39/66/60/194396660.db2.gz ZFVQNKGLXSUZHH-XFEAKLGESA-N 0 0 486.008 5.219 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1cccc(Cl)c1 ZINC000004764131 194396764 /nfs/dbraw/zinc/39/67/64/194396764.db2.gz ZFVQNKGLXSUZHH-YCASGBEESA-N 0 0 486.008 5.219 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000004786521 194398577 /nfs/dbraw/zinc/39/85/77/194398577.db2.gz XQGNXCNTKJGAAO-PCFDJQJPSA-N 0 0 492.399 5.092 40 30 JKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC(=O)[C@@H]12 ZINC000004804591 194401169 /nfs/dbraw/zinc/40/11/69/194401169.db2.gz XWVYLGXCGJYRQW-ZMQZGATESA-N 0 0 499.651 5.135 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(C)o2)cc1OC ZINC000006407867 194425452 /nfs/dbraw/zinc/42/54/52/194425452.db2.gz GQGHJMALILZRJG-HMILPKGGSA-N 0 0 491.584 5.453 40 30 JKEBRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3c(C)cccc3C)c2C#N)cc1 ZINC000006245765 194422374 /nfs/dbraw/zinc/42/23/74/194422374.db2.gz XSUIZEQUDMDUAL-UHFFFAOYSA-N 0 0 493.632 6.952 40 30 JKEBRN Cc1cc(CN=Nc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000012600483 195045758 /nfs/dbraw/zinc/04/57/58/195045758.db2.gz GRXCPWSUZLBEMK-CIAFOILYSA-N 0 0 460.275 5.053 40 30 JKEBRN CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/c1ccccc1C ZINC000012618258 195055610 /nfs/dbraw/zinc/05/56/10/195055610.db2.gz KTKQQBNWDKENBB-ROBQPBDMSA-N 0 0 475.614 5.535 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Cl)cc2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012621799 195057306 /nfs/dbraw/zinc/05/73/06/195057306.db2.gz ZLGPHRNDGISRGQ-FOKLQQMPSA-N 0 0 499.763 5.802 40 30 JKEBRN O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000012622792 195057807 /nfs/dbraw/zinc/05/78/07/195057807.db2.gz AJUQQLSOJFUABY-ZXVVBBHZSA-N 0 0 467.554 6.385 40 30 JKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)N1 ZINC000012716845 195097460 /nfs/dbraw/zinc/09/74/60/195097460.db2.gz QAGHOIQQMFDPDB-AJTFRIOCSA-N 0 0 464.631 5.887 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000020761517 195217953 /nfs/dbraw/zinc/21/79/53/195217953.db2.gz JTKRXWCKFJMDPZ-LGJNPRDNSA-N 0 0 489.797 5.822 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(I)cc2)cc1 ZINC000020762853 195218762 /nfs/dbraw/zinc/21/87/62/195218762.db2.gz FXIXQORSRMLTRM-ZVHZXABRSA-N 0 0 472.326 5.003 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000020763250 195219261 /nfs/dbraw/zinc/21/92/61/195219261.db2.gz OBYCAELZTCSULA-XODNFHPESA-N 0 0 493.818 6.757 40 30 JKEBRN N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000021005968 195266197 /nfs/dbraw/zinc/26/61/97/195266197.db2.gz NHWZUUDAZIABHB-UHFFFAOYSA-N 0 0 454.529 7.256 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000021456012 195301738 /nfs/dbraw/zinc/30/17/38/195301738.db2.gz OHZLLQCTTFSMDI-UHFFFAOYSA-N 0 0 488.227 6.476 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)SC1=S ZINC000058822190 195380491 /nfs/dbraw/zinc/38/04/91/195380491.db2.gz NBOSKFNFPSREPV-HYARGMPZSA-N 0 0 496.451 6.569 40 30 JKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)n1-c1ccc(F)cc1 ZINC000058826653 195380654 /nfs/dbraw/zinc/38/06/54/195380654.db2.gz VMMPWHCBKAYTPR-MNDYBZJGSA-N 0 0 475.589 6.447 40 30 JKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)o1 ZINC000058826768 195380732 /nfs/dbraw/zinc/38/07/32/195380732.db2.gz LXUJNFLETNGHNJ-LQNQUEJISA-N 0 0 499.592 6.784 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000058884155 195386223 /nfs/dbraw/zinc/38/62/23/195386223.db2.gz FRGLRGZTQTVMAV-RLWVUDJFSA-N 0 0 483.355 5.669 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000058883891 195386275 /nfs/dbraw/zinc/38/62/75/195386275.db2.gz QQBKHGPUIWSYFO-JLPGSUDCSA-N 0 0 459.929 5.796 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 ZINC000059102824 195387461 /nfs/dbraw/zinc/38/74/61/195387461.db2.gz QUZGSIPJHDETOP-MHZLTWQESA-N 0 0 495.635 7.334 40 30 JKEBRN C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1C ZINC000059104105 195387716 /nfs/dbraw/zinc/38/77/16/195387716.db2.gz JWDBFXSFAKFHLA-RHFGJHFGSA-N 0 0 486.218 5.867 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)C(=O)N1CC ZINC000059104253 195387720 /nfs/dbraw/zinc/38/77/20/195387720.db2.gz CDCRNAJAQBZFQA-AQWOHROKSA-N 0 0 459.409 5.649 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000059102918 195387729 /nfs/dbraw/zinc/38/77/29/195387729.db2.gz VEWZYYVYCQGFFG-RUZDIDTESA-N 0 0 483.674 7.256 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)C(=O)N1CC ZINC000059104424 195387938 /nfs/dbraw/zinc/38/79/38/195387938.db2.gz QPJVMWWUDSZJMF-ZGNGNRKCSA-N 0 0 450.377 5.308 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3O[C@@H](C)CC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104638 195387966 /nfs/dbraw/zinc/38/79/66/195387966.db2.gz RGXXSALXJXEXBN-DUDOXOQPSA-N 0 0 484.665 7.797 40 30 JKEBRN Cc1c(Br)c(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000059104923 195388372 /nfs/dbraw/zinc/38/83/72/195388372.db2.gz KGEIEGVACAUKAF-BKUYFWCQSA-N 0 0 480.431 6.365 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3c(C)n(C)c4ccccc34)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059105195 195388523 /nfs/dbraw/zinc/38/85/23/195388523.db2.gz JXODSMPJKDHGIM-AGJGHCONSA-N 0 0 479.649 7.420 40 30 JKEBRN Cc1c(Br)c(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000059104987 195388531 /nfs/dbraw/zinc/38/85/31/195388531.db2.gz JCIQNJKVGQZJAP-FOKLQQMPSA-N 0 0 466.604 7.023 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)C(=O)N1CC ZINC000059105204 195388622 /nfs/dbraw/zinc/38/86/22/195388622.db2.gz BJNDKJYKEHMOEP-WBUAKJRLSA-N 0 0 489.435 5.739 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000059105840 195388831 /nfs/dbraw/zinc/38/88/31/195388831.db2.gz SDSAKTBUKNNHJD-PCLIKHOPSA-N 0 0 454.526 6.450 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)c2C)c(C)c1 ZINC000059105963 195388941 /nfs/dbraw/zinc/38/89/41/195388941.db2.gz NTICIEQBAUQDBC-LPYMAVHISA-N 0 0 463.534 5.220 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC ZINC000059105936 195388950 /nfs/dbraw/zinc/38/89/50/195388950.db2.gz XNYAXEDLXWQIQD-VCHYOVAHSA-N 0 0 463.328 5.053 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000059105939 195388953 /nfs/dbraw/zinc/38/89/53/195388953.db2.gz LVGASCVJGKHYBK-BUVRLJJBSA-N 0 0 462.546 6.003 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000059106016 195388992 /nfs/dbraw/zinc/38/89/92/195388992.db2.gz ZTUJJVHRHKQVFV-VCHYOVAHSA-N 0 0 477.742 6.393 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059106040 195388999 /nfs/dbraw/zinc/38/89/99/195388999.db2.gz KVSOUEJYLAKSLQ-OEAKJJBVSA-N 0 0 496.991 6.657 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000059105953 195389001 /nfs/dbraw/zinc/38/90/01/195389001.db2.gz MNRNZYXVISNURO-RGVLZGJSSA-N 0 0 470.367 5.887 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059105905 195389008 /nfs/dbraw/zinc/38/90/08/195389008.db2.gz RZIQFOSGUGLBPV-LPYMAVHISA-N 0 0 482.964 6.267 40 30 JKEBRN CCOc1cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)ccc1OCc1ccccc1C#N ZINC000059186112 195393707 /nfs/dbraw/zinc/39/37/07/195393707.db2.gz DXAPVIRTGVVZNB-NHDPSOOVSA-N 0 0 464.443 6.047 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000059193565 195393965 /nfs/dbraw/zinc/39/39/65/195393965.db2.gz DWHVXCWFBZURHC-UHFFFAOYSA-N 0 0 464.945 6.056 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl ZINC000059193501 195394099 /nfs/dbraw/zinc/39/40/99/195394099.db2.gz CMVDUCMSCRORKB-UHFFFAOYSA-N 0 0 498.406 6.282 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059194471 195394185 /nfs/dbraw/zinc/39/41/85/195394185.db2.gz NXRCMJJGPMYMHE-AFUMVMLFSA-N 0 0 451.935 6.014 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194456 195394190 /nfs/dbraw/zinc/39/41/90/195394190.db2.gz BSESEGVOTFGWTA-JVWAILMASA-N 0 0 459.571 6.268 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000059194494 195394316 /nfs/dbraw/zinc/39/43/16/195394316.db2.gz VSRNBUXDMPJTRP-AFUMVMLFSA-N 0 0 496.386 6.123 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000059224152 195395216 /nfs/dbraw/zinc/39/52/16/195395216.db2.gz PAOIUCWPBLYXLH-ZDLGFXPLSA-N 0 0 463.773 7.107 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1OCC ZINC000059224368 195395321 /nfs/dbraw/zinc/39/53/21/195395321.db2.gz FKUOZQRTQXHCSN-ODLFYWEKSA-N 0 0 461.370 5.604 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccccc1 ZINC000059224227 195395418 /nfs/dbraw/zinc/39/54/18/195395418.db2.gz KWKUEGLMBYQOKO-OYKKKHCWSA-N 0 0 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CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000006074042 519368650 /nfs/dbraw/zinc/36/86/50/519368650.db2.gz NZWBMIPQEFUQQW-DNVJHFABSA-N 0 0 476.798 5.501 40 30 JKEBRN C=CCn1c(=O)c2c3c(sc2nc1Sc1nnc(-c2ccccc2)c2ccccc21)CCCC3 ZINC000096305940 534428843 /nfs/dbraw/zinc/42/88/43/534428843.db2.gz HNPQVTUQUKLTRC-UHFFFAOYSA-N 0 0 482.634 6.284 40 30 JKEBRN CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)OC(=O)/C1=C\C(=O)c1ccc(C)cc1 ZINC000016291682 519639670 /nfs/dbraw/zinc/63/96/70/519639670.db2.gz HHIIDQRHWMJEKC-XHLNEMQHSA-N 0 0 487.555 5.963 40 30 JKEBRN CC(C)CCOc1ccc([C@H]2c3c(N)nc(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000020635474 519675341 /nfs/dbraw/zinc/67/53/41/519675341.db2.gz PEAAWINVWKXCFY-JOCHJYFZSA-N 0 0 461.610 5.039 40 30 JKEBRN CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)S/C1=N/c1ccccc1 ZINC000009172512 519719444 /nfs/dbraw/zinc/71/94/44/519719444.db2.gz BOSOACBUETZISA-QCLNCQLRSA-N 0 0 460.397 5.065 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\CCCN5CCOCC5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004897433 519757733 /nfs/dbraw/zinc/75/77/33/519757733.db2.gz RQUUYIAYQYSLGX-SWTXWOMWSA-N 0 0 456.671 5.044 40 30 JKEBRN CC(C)Oc1c(Br)cc(Br)cc1/C=N/c1sc2c(c1C#N)CCC2 ZINC000016575575 519777510 /nfs/dbraw/zinc/77/75/10/519777510.db2.gz KHEXOAHHVKHOHQ-LSFURLLWSA-N 0 0 468.214 6.171 40 30 JKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(F)c(F)c(F)c(F)c1F ZINC000005492551 519947009 /nfs/dbraw/zinc/94/70/09/519947009.db2.gz CLGVMPBHQNATGJ-ZMBVXGBTSA-N 0 0 465.293 8.141 40 30 JKEBRN CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000086050812 519993963 /nfs/dbraw/zinc/99/39/63/519993963.db2.gz BAIGIFRMHRSNIM-UHFFFAOYSA-N 0 0 452.808 10.712 40 30 JKEBRN CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C ZINC000044352620 520017777 /nfs/dbraw/zinc/01/77/77/520017777.db2.gz BKBOLZATQOJKKM-CQJMVLFOSA-N 0 0 481.718 6.492 40 30 in-vitro JKEBRN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O ZINC000003195424 520021618 /nfs/dbraw/zinc/02/16/18/520021618.db2.gz HNTJYAMBFHFRMH-UHFFFAOYSA-N 0 0 497.591 7.684 40 30 JKEBRN CCOP(=O)(CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OCC ZINC000004804662 520239722 /nfs/dbraw/zinc/23/97/22/520239722.db2.gz OWUUODNSAQJSJN-WYKXONHLSA-N 0 0 480.582 5.475 40 30 JKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc4cc5ccccc5cc4c3)cc2)cc1 ZINC000016638600 520253488 /nfs/dbraw/zinc/25/34/88/520253488.db2.gz HOZISIWHSAVKOS-PPFNPFNJSA-N 0 0 487.599 8.532 40 30 JKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C(=O)OCC)cc3)cc2)cc1 ZINC000016638587 520254106 /nfs/dbraw/zinc/25/41/06/520254106.db2.gz QKJTZUIUAJHKLH-ZTKZIYFRSA-N 0 0 459.542 6.402 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@@H]2[C@H]1CC=CCC1 ZINC000010343840 520264132 /nfs/dbraw/zinc/26/41/32/520264132.db2.gz MXHFZCHPJNKUOM-WTYVLRPYSA-N 0 0 456.586 5.892 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000012402404 520266510 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495.000 6.218 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)ccc1OCc1cccc2ccccc21 ZINC000033957624 520637613 /nfs/dbraw/zinc/63/76/13/520637613.db2.gz VEHANXJEPXCDQW-TUDJZJMASA-N 0 0 480.564 5.349 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000009197451 520638839 /nfs/dbraw/zinc/63/88/39/520638839.db2.gz CNHNPSYAWPSZPS-XODNFHPESA-N 0 0 477.819 7.057 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000009195406 520638903 /nfs/dbraw/zinc/63/89/03/520638903.db2.gz VECCFZSRWJVBPQ-UVHMKAGCSA-N 0 0 463.792 6.748 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000009195442 520639131 /nfs/dbraw/zinc/63/91/31/520639131.db2.gz DZKHAUGGAAUYCW-KVSWJAHQSA-N 0 0 498.237 7.402 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009195422 520639367 /nfs/dbraw/zinc/63/93/67/520639367.db2.gz GXGARUUYDUNZLT-LGJNPRDNSA-N 0 0 474.344 6.003 40 30 JKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1C#N ZINC000009197443 520639893 /nfs/dbraw/zinc/63/98/93/520639893.db2.gz WHFYRWXHLCWHRT-VFLNYLIXSA-N 0 0 488.802 6.620 40 30 JKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1nc(-c3ccc(I)cc3)cs1)C2 ZINC000020551673 520640327 /nfs/dbraw/zinc/64/03/27/520640327.db2.gz HEZMCODURBLNTC-BLZGRBQHSA-N 0 0 451.377 6.029 40 30 JKEBRN CCOc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000014945056 520778493 /nfs/dbraw/zinc/77/84/93/520778493.db2.gz OHMINKLZHXELRD-PIIWDFAUSA-N 0 0 462.549 6.297 40 30 JKEBRN CCOc1cc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000035973792 520780439 /nfs/dbraw/zinc/78/04/39/520780439.db2.gz KXVVEVYGAVLCCG-XADOIVSYSA-N 0 0 475.585 5.494 40 30 JKEBRN CCOc1cc([C@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000035973791 520781713 /nfs/dbraw/zinc/78/17/13/520781713.db2.gz KXVVEVYGAVLCCG-QHOOGPDPSA-N 0 0 475.585 5.494 40 30 JKEBRN 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COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 ZINC000006015302 524585845 /nfs/dbraw/zinc/58/58/45/524585845.db2.gz KMHQWYBXBBRNJM-DEOSSOPVSA-N 0 0 462.615 5.660 40 30 JKEBRN COc1ccccc1NC(=O)c1c(/N=C\c2ccc(C)o2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000015945856 524623632 /nfs/dbraw/zinc/62/36/32/524623632.db2.gz MKTWKIQSUIJGAV-COXSBDCDSA-N 0 0 450.604 6.812 40 30 JKEBRN COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(C#CC(C)(C)CO)s2)cc1Cl ZINC000002727661 524665553 /nfs/dbraw/zinc/66/55/53/524665553.db2.gz GULPACOXJQDTJC-IBGZPJMESA-N 0 0 467.081 5.225 40 30 JKEBRN COc1ccc(Nc2nc(N=NC(C)c3ccc(F)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000014921180 524717855 /nfs/dbraw/zinc/71/78/55/524717855.db2.gz OHXHVXDHKJJPTR-IBBHUPRXSA-N 0 0 488.483 5.251 40 30 JKEBRN Cc1ccc(NC(=Nc2ccccc2)S[C@@H](c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000016292629 524912640 /nfs/dbraw/zinc/91/26/40/524912640.db2.gz SVLMMWJFOUPJJD-MHZLTWQESA-N 0 0 476.605 6.854 40 30 JKEBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccccc4)c4ccccc4C3c3ccccc32)c(C)c1 ZINC000016284887 524929780 /nfs/dbraw/zinc/92/97/80/524929780.db2.gz PBJSKFHQRQXFRA-WYHRAMJMSA-N 0 0 482.583 6.257 40 30 JKEBRN Cc1ccccc1-n1c(-c2ccccc2)csc1=NNc1csc(=O)n1Cc1ccccc1 ZINC000017835490 525024508 /nfs/dbraw/zinc/02/45/08/525024508.db2.gz HWYOVDSRJRHRDX-FRUUGIBISA-N 0 0 470.623 6.097 40 30 JKEBRN Cc1ccccc1-n1c(-c2ccccc2)csc1=NNc1csc(=O)n1Cc1ccccc1 ZINC000001585217 525024644 /nfs/dbraw/zinc/02/46/44/525024644.db2.gz HWYOVDSRJRHRDX-KNCIMYNLSA-N 0 0 470.623 6.097 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000020058872 525216701 /nfs/dbraw/zinc/21/67/01/525216701.db2.gz NDCFNXWPRJWZPC-AVRWGWEMSA-N 0 0 471.582 5.152 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccs2)cc1OC ZINC000000870740 525230314 /nfs/dbraw/zinc/23/03/14/525230314.db2.gz KYNSYPWNZAXRMM-HFJWLAOPSA-N 0 0 481.614 5.326 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567943 525235318 /nfs/dbraw/zinc/23/53/18/525235318.db2.gz NVAPVRPHQLWZAM-KRWDZBQOSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567841 525236043 /nfs/dbraw/zinc/23/60/43/525236043.db2.gz OZKMJUQWUQMPFY-KRWDZBQOSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000016227582 525272352 /nfs/dbraw/zinc/27/23/52/525272352.db2.gz NOTJEGZQIYXTCQ-PFBJBMPXSA-N 0 0 479.511 5.127 40 30 JKEBRN Cc1ccc(Nc2nc(N=NCc3c4ccccc4cc4ccccc43)nc(N3CCOCC3)n2)cc1 ZINC000008872839 525327498 /nfs/dbraw/zinc/32/74/98/525327498.db2.gz NMGIJGSIOUBRNK-NDZAJKAJSA-N 0 0 489.583 5.513 40 30 JKEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000006015672 525385417 /nfs/dbraw/zinc/38/54/17/525385417.db2.gz NDCFNXWPRJWZPC-BVZFJXPGSA-N 0 0 471.582 5.152 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567846 525402835 /nfs/dbraw/zinc/40/28/35/525402835.db2.gz KQVGIVQQYWNEMV-GOSISDBHSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000014945050 525440641 /nfs/dbraw/zinc/44/06/41/525440641.db2.gz XJJXASLCELWYKE-MMTVBGGISA-N 0 0 462.549 6.210 40 30 JKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016268108 525444000 /nfs/dbraw/zinc/44/40/00/525444000.db2.gz XKYJHCUUTXDTEU-IBGZPJMESA-N 0 0 478.301 7.620 40 30 JKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000009197796 525519372 /nfs/dbraw/zinc/51/93/72/525519372.db2.gz CTBNQJAAIJZGMC-UVHMKAGCSA-N 0 0 467.356 6.337 40 30 JKEBRN Cc1c(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000016293185 525519625 /nfs/dbraw/zinc/51/96/25/525519625.db2.gz HAWHOWLYXGDDTH-MYYYXRDXSA-N 0 0 472.013 6.851 40 30 JKEBRN Cc1c(/N=C2\S/C(=C\c3ccccc3)C(=O)N2/N=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000016711872 525521058 /nfs/dbraw/zinc/52/10/58/525521058.db2.gz DBECKNDLFIOTNZ-WMGCQXHWSA-N 0 0 493.592 5.123 40 30 JKEBRN Cc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br ZINC000009195924 525526718 /nfs/dbraw/zinc/52/67/18/525526718.db2.gz ZMHWFVCSVWWBIF-IFRROFPPSA-N 0 0 450.989 5.951 40 30 JKEBRN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3C)N(c3ccccc3)C1=O)S2 ZINC000013475597 525546936 /nfs/dbraw/zinc/54/69/36/525546936.db2.gz CYASJYLTUKYBQF-SLJQUXCSSA-N 0 0 459.596 6.182 40 30 JKEBRN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)cc1 ZINC000030823047 525562321 /nfs/dbraw/zinc/56/23/21/525562321.db2.gz VSKPTZAGCLTALT-HHHXNRCGSA-N 0 0 472.610 6.000 40 30 JKEBRN Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccc(Cl)cc3Cl)c(Cl)cc2Cl)cc1 ZINC000003074999 525591943 /nfs/dbraw/zinc/59/19/43/525591943.db2.gz YNRBYILZOQIFTH-OPEKNORGSA-N 0 0 488.223 7.160 40 30 JKEBRN Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccc4c(c3)OCO4)c(Cl)cc2Cl)cc1 ZINC000003075001 525592705 /nfs/dbraw/zinc/59/27/05/525592705.db2.gz XEOYYFDNFMQJPR-BHGWPJFGSA-N 0 0 463.342 5.582 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4c(Cl)cccc4Cl)c3C)C1=O)cn2C ZINC000028182499 525599445 /nfs/dbraw/zinc/59/94/45/525599445.db2.gz HUZZVDCDICRUNN-GATIEOLUSA-N 0 0 494.374 6.997 40 30 JKEBRN COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3cc(Br)ccc3OC)c2c1 ZINC000016227749 525659014 /nfs/dbraw/zinc/65/90/14/525659014.db2.gz WWZSAZKUYPHZMW-KNHIBLDWSA-N 0 0 488.385 6.631 40 30 JKEBRN Cc1c(C)c(NC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)ccc1O ZINC000016779790 525676313 /nfs/dbraw/zinc/67/63/13/525676313.db2.gz SIBNYHAEDGYRCB-UHFFFAOYSA-N 0 0 459.365 5.019 40 30 JKEBRN COc1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)nc2c1 ZINC000003032360 525682134 /nfs/dbraw/zinc/68/21/34/525682134.db2.gz PYVPBGUGMMDFML-WYMPLXKRSA-N 0 0 453.292 5.731 40 30 JKEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)S1 ZINC000015016125 525750830 /nfs/dbraw/zinc/75/08/30/525750830.db2.gz VGMPEYPCFUBGSB-SOFYXZRVSA-N 0 0 451.729 5.031 40 30 JKEBRN COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OCc1ccccc1F ZINC000016348759 525775073 /nfs/dbraw/zinc/77/50/73/525775073.db2.gz WJXZFFIVOIKDFZ-KBVAKVRCSA-N 0 0 482.580 7.749 40 30 JKEBRN Cc1ccc(-c2csc(=NNc3csc(=O)n3Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000017140951 525778432 /nfs/dbraw/zinc/77/84/32/525778432.db2.gz GRRWXPNJFUDFPW-KNCIMYNLSA-N 0 0 470.623 6.097 40 30 JKEBRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1 ZINC000012847213 525852162 /nfs/dbraw/zinc/85/21/62/525852162.db2.gz VMLUZPANTWVIQZ-LEWJYISDSA-N 0 0 453.468 5.560 40 30 JKEBRN Cc1ccc([N-][NH+]=C2C=CC(=O)C(C=Nc3cccc(-c4nc5cc(C)c(C)cc5o4)c3)=C2)cc1C ZINC000016311877 525972945 /nfs/dbraw/zinc/97/29/45/525972945.db2.gz DABUZDUOEYOZIN-RRDKUXRRSA-N 0 0 474.564 8.600 40 30 JKEBRN Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)=C2/C=N/c2ccccc2Br)cc1 ZINC000016292237 526049632 /nfs/dbraw/zinc/04/96/32/526049632.db2.gz WJGSYKAYVDBSML-NGUGDGFLSA-N 0 0 480.405 8.096 40 30 JKEBRN CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)N2CCCCC2)cc1 ZINC000010343859 526065449 /nfs/dbraw/zinc/06/54/49/526065449.db2.gz LNZICPRGYZZDRN-MUUNZHRXSA-N 0 0 489.685 6.037 40 30 JKEBRN CSc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000020293460 526077210 /nfs/dbraw/zinc/07/72/10/526077210.db2.gz FYBONLHPNXWSLB-MHPIHPPYSA-N 0 0 495.666 5.554 40 30 JKEBRN CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)N2CCCCC2)cc1 ZINC000010343858 526077606 /nfs/dbraw/zinc/07/76/06/526077606.db2.gz LNZICPRGYZZDRN-NDEPHWFRSA-N 0 0 489.685 6.037 40 30 JKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(C)c(Br)c1 ZINC000009196229 526092762 /nfs/dbraw/zinc/09/27/62/526092762.db2.gz ZRQWZKUNWIXBNV-OPEKNORGSA-N 0 0 465.222 6.596 40 30 JKEBRN Cc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003166503 526094329 /nfs/dbraw/zinc/09/43/29/526094329.db2.gz HNJBHFBXJURGMX-MUFRIFMGSA-N 0 0 460.931 5.922 40 30 JKEBRN 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/nfs/dbraw/zinc/24/12/96/526241296.db2.gz YVDKNJXSGDLHMY-OCSSWDANSA-N 0 0 469.009 8.255 40 30 JKEBRN O[C@](C#CC#C[C@@](O)(c1ccccc1)c1ccccc1Cl)(c1ccccc1)c1ccccc1Cl ZINC000002168697 526319138 /nfs/dbraw/zinc/31/91/38/526319138.db2.gz CJETXAUUVYDHTN-LOYHVIPDSA-N 0 0 483.394 6.172 40 30 JKEBRN Fc1ccc(C(=CC=Nc2ccc(C(F)(F)F)cc2)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000016400088 526323076 /nfs/dbraw/zinc/32/30/76/526323076.db2.gz NRXODAOGERLGLD-VBHBRTPISA-N 0 0 452.373 7.719 40 30 JKEBRN Oc1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000016450147 526323972 /nfs/dbraw/zinc/32/39/72/526323972.db2.gz BIRTVIWRRFXPPU-OGLMXYFKSA-N 0 0 483.837 7.140 40 30 JKEBRN Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000016480934 526324096 /nfs/dbraw/zinc/32/40/96/526324096.db2.gz GTUYAXRFIPVXSI-STBIYBPSSA-N 0 0 482.381 7.039 40 30 JKEBRN Cc1csc(C2=C(N)N(C[C@@]3(C)CCC[C@@]4(C)c5ccc(C(C)C)cc5CC[C@H]43)CC2=O)n1 ZINC000043746943 526328970 /nfs/dbraw/zinc/32/89/70/526328970.db2.gz 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C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014134218 555702460 /nfs/dbraw/zinc/70/24/60/555702460.db2.gz ZQIIAWROWRGBDU-UHFFFAOYSA-N 0 0 485.053 6.168 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1C ZINC000014134206 555702481 /nfs/dbraw/zinc/70/24/81/555702481.db2.gz WICMTRYHAKRBCP-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000014134210 555702488 /nfs/dbraw/zinc/70/24/88/555702488.db2.gz AGODWFMOGOKRDV-UHFFFAOYSA-N 0 0 464.635 5.823 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1OC ZINC000014134234 555702823 /nfs/dbraw/zinc/70/28/23/555702823.db2.gz VIQLDLGNHFARLV-UHFFFAOYSA-N 0 0 466.607 5.214 40 30 JKEBRN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163713 555717157 /nfs/dbraw/zinc/71/71/57/555717157.db2.gz HNVOVOJWXHDDJT-PWECECGKSA-N 0 0 463.965 5.797 40 30 JKEBRN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000014165021 555718039 /nfs/dbraw/zinc/71/80/39/555718039.db2.gz SICUEJJHAGLBSQ-QKKBWIMNSA-N 0 0 454.452 5.144 40 30 JKEBRN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000014165015 555718045 /nfs/dbraw/zinc/71/80/45/555718045.db2.gz SICUEJJHAGLBSQ-LHSJRXKWSA-N 0 0 454.452 5.144 40 30 JKEBRN COc1ccc(/N=C2\S/C(=C/C(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000020247972 555742417 /nfs/dbraw/zinc/74/24/17/555742417.db2.gz BMBONKFOZOOQIU-RLRMVDLFSA-N 0 0 493.972 5.647 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)c1 ZINC000014257501 555757089 /nfs/dbraw/zinc/75/70/89/555757089.db2.gz UISMNFRYOGIPRL-UHFFFAOYSA-N 0 0 484.592 6.614 40 30 JKEBRN Cc1sc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000014271465 555766418 /nfs/dbraw/zinc/76/64/18/555766418.db2.gz GUHIBKODGFHGTP-UHFFFAOYSA-N 0 0 450.372 5.930 40 30 JKEBRN COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014271539 555766632 /nfs/dbraw/zinc/76/66/32/555766632.db2.gz DWTSAHWGLFUHMM-MZTACXPWSA-N 0 0 453.633 5.306 40 30 JKEBRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014271529 555766759 /nfs/dbraw/zinc/76/67/59/555766759.db2.gz DDRSHXKETPMINK-QGZVFWFLSA-N 0 0 453.677 6.195 40 30 JKEBRN CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000014271511 555766765 /nfs/dbraw/zinc/76/67/65/555766765.db2.gz HAKAVFAVWUEFNR-KRWDZBQOSA-N 0 0 469.676 6.076 40 30 JKEBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)c(C)c1 ZINC000014272828 555771340 /nfs/dbraw/zinc/77/13/40/555771340.db2.gz OAEWKFNLOSIGTG-UHFFFAOYSA-N 0 0 456.525 5.147 40 30 JKEBRN COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C#N)c1C ZINC000014273245 555772709 /nfs/dbraw/zinc/77/27/09/555772709.db2.gz YYPFFFZSPCIKRT-GQCTYLIASA-N 0 0 461.326 5.934 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000014273256 555772721 /nfs/dbraw/zinc/77/27/21/555772721.db2.gz KYBFQOMQVAFQSR-OMDQHUAHSA-N 0 0 457.382 6.963 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000011452400 555781771 /nfs/dbraw/zinc/78/17/71/555781771.db2.gz HNHRIIGQOWXWKL-UHFFFAOYSA-N 0 0 493.814 5.286 40 30 JKEBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000014276487 555783651 /nfs/dbraw/zinc/78/36/51/555783651.db2.gz XXXBDMRGSPNROP-LLVKDONJSA-N 0 0 496.485 6.213 40 30 JKEBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000014276485 555783665 /nfs/dbraw/zinc/78/36/65/555783665.db2.gz XXXBDMRGSPNROP-NSHDSACASA-N 0 0 496.485 6.213 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Br)sc2C1 ZINC000014276450 555783677 /nfs/dbraw/zinc/78/36/77/555783677.db2.gz FTMNEDFEESSFMN-LBPRGKRZSA-N 0 0 476.465 5.660 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Br)sc2C1 ZINC000014276448 555783693 /nfs/dbraw/zinc/78/36/93/555783693.db2.gz FTMNEDFEESSFMN-GFCCVEGCSA-N 0 0 476.465 5.660 40 30 JKEBRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000014276459 555783729 /nfs/dbraw/zinc/78/37/29/555783729.db2.gz TWWGTBRAYUTAQB-AWEZNQCLSA-N 0 0 486.619 5.204 40 30 JKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C#N)c1C ZINC000014279064 555790262 /nfs/dbraw/zinc/79/02/62/555790262.db2.gz TYEMVLVQSRHZMP-FNORWQNLSA-N 0 0 475.353 6.324 40 30 JKEBRN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1C ZINC000020477736 555791720 /nfs/dbraw/zinc/79/17/20/555791720.db2.gz YMCPBUVGPOAVQG-UHFFFAOYSA-N 0 0 460.021 7.019 40 30 JKEBRN N#Cc1c(N)nc(-c2cc3cc(Br)ccc3nc2Cl)cc1-c1ccc2nc[nH]c2c1 ZINC000020477560 555791727 /nfs/dbraw/zinc/79/17/27/555791727.db2.gz IIUCCEQJCPHDHS-UHFFFAOYSA-N 0 0 475.737 5.710 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1Cl ZINC000014395437 555801930 /nfs/dbraw/zinc/80/19/30/555801930.db2.gz MLFHYERZISDYIO-UHFFFAOYSA-N 0 0 450.789 5.751 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407586 555808499 /nfs/dbraw/zinc/80/84/99/555808499.db2.gz OTFJJFXRJKCHGS-ZMOGYAJESA-N 0 0 468.376 6.092 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408070 555808958 /nfs/dbraw/zinc/80/89/58/555808958.db2.gz MDBXYTAAURBRPP-ZRCJFXJKSA-N 0 0 486.571 5.855 40 30 JKEBRN Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)cc1 ZINC000014408389 555809107 /nfs/dbraw/zinc/80/91/07/555809107.db2.gz VHRYBTOSADFXHQ-JKAGUAMTSA-N 0 0 498.582 5.800 40 30 JKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2Br)cc1 ZINC000014408438 555809137 /nfs/dbraw/zinc/80/91/37/555809137.db2.gz KKYBOQVOVIUMSJ-WYMPLXKRSA-N 0 0 472.795 6.737 40 30 JKEBRN C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408353 555809177 /nfs/dbraw/zinc/80/91/77/555809177.db2.gz NEZLSMGYYMDGBN-XKDHVQBQSA-N 0 0 457.533 5.053 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408223 555809194 /nfs/dbraw/zinc/80/91/94/555809194.db2.gz AFGLQIUEHJHDTN-JJUJOOSHSA-N 0 0 482.539 5.078 40 30 JKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014408410 555809199 /nfs/dbraw/zinc/80/91/99/555809199.db2.gz VAHCIFJVDPSDDO-JVWAILMASA-N 0 0 467.554 6.725 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000014408469 555809277 /nfs/dbraw/zinc/80/92/77/555809277.db2.gz HAOKPDNKPVQVPC-UXHLAJHPSA-N 0 0 483.365 7.563 40 30 JKEBRN N#Cc1c(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408489 555809477 /nfs/dbraw/zinc/80/94/77/555809477.db2.gz DGAZQWZUWHIAQO-FMFFXOCNSA-N 0 0 496.595 8.150 40 30 JKEBRN Cc1ccc(COc2cccc(/C=N/c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2)cc1 ZINC000014408540 555809513 /nfs/dbraw/zinc/80/95/13/555809513.db2.gz XMAVBFQJPJZYKT-KEIPNQJHSA-N 0 0 468.556 8.123 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)o2)cc1Cl ZINC000014408523 555809528 /nfs/dbraw/zinc/80/95/28/555809528.db2.gz ZMRXNFAIHGRUSK-KCSSXMTESA-N 0 0 462.936 8.458 40 30 JKEBRN COC(=O)COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000014408573 555809541 /nfs/dbraw/zinc/80/95/41/555809541.db2.gz NUVUQUIVZVQYLS-KBVAKVRCSA-N 0 0 496.519 5.805 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408509 555809576 /nfs/dbraw/zinc/80/95/76/555809576.db2.gz QUXLQKBNTDRKLG-UXHLAJHPSA-N 0 0 459.461 7.404 40 30 JKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000014608277 555836810 /nfs/dbraw/zinc/83/68/10/555836810.db2.gz LJYVLXKJJULRCW-CYFREDJKSA-N 0 0 478.508 5.032 40 30 JKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000014608278 555836832 /nfs/dbraw/zinc/83/68/32/555836832.db2.gz LJYVLXKJJULRCW-DVECYGJZSA-N 0 0 478.508 5.032 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000014671927 555837859 /nfs/dbraw/zinc/83/78/59/555837859.db2.gz QEBHZUBKTRVKAB-SANMLTNESA-N 0 0 455.579 6.808 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(I)cc1 ZINC000014671920 555837900 /nfs/dbraw/zinc/83/79/00/555837900.db2.gz DKIZJMLUQCPKTO-HXUWFJFHSA-N 0 0 461.368 6.193 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000021961268 555857859 /nfs/dbraw/zinc/85/78/59/555857859.db2.gz GVJRVCLFKYEODY-UHFFFAOYSA-N 0 0 467.809 6.131 40 30 JKEBRN CC[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)Nc1nnc(C)s1 ZINC000022079496 555872241 /nfs/dbraw/zinc/87/22/41/555872241.db2.gz ISLSYUDKMFERGG-ZDUSSCGKSA-N 0 0 469.539 5.370 40 30 JKEBRN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 ZINC000011992441 555877800 /nfs/dbraw/zinc/87/78/00/555877800.db2.gz FWEFQWNRNJUATP-UVHMKAGCSA-N 0 0 468.409 7.450 40 30 JKEBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N\c3ccc4ncccc4c3)c2-c2ccccc2)cc1 ZINC000015223902 555886177 /nfs/dbraw/zinc/88/61/77/555886177.db2.gz CHZCVNQONDWRMS-IBTHDSTKSA-N 0 0 493.610 8.509 40 30 JKEBRN Cc1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)n1 ZINC000015276954 555892275 /nfs/dbraw/zinc/89/22/75/555892275.db2.gz ASOLITKLIJSZQV-UHFFFAOYSA-N 0 0 457.502 6.202 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022568015 555936772 /nfs/dbraw/zinc/93/67/72/555936772.db2.gz IKFXWOYONMPTJU-XDBZFTIUSA-N 0 0 460.537 5.942 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Br)c4O)cc3)nc2c1 ZINC000022572013 555937717 /nfs/dbraw/zinc/93/77/17/555937717.db2.gz IOBKROATPTUXDB-NKZWWHGNSA-N 0 0 463.375 7.535 40 30 JKEBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C#N)cc2F)cc1 ZINC000022707352 555943986 /nfs/dbraw/zinc/94/39/86/555943986.db2.gz YVHSXZJFPOWZQA-UHFFFAOYSA-N 0 0 471.315 6.028 40 30 JKEBRN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022708467 555945116 /nfs/dbraw/zinc/94/51/16/555945116.db2.gz YBGBTFPTDMUZRI-DFXYEROKSA-N 0 0 472.592 7.057 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1Cl ZINC000022715606 555947424 /nfs/dbraw/zinc/94/74/24/555947424.db2.gz ZXHMTRUFMRELIX-ZPHJMFTNSA-N 0 0 479.045 7.645 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000022741574 555949511 /nfs/dbraw/zinc/94/95/11/555949511.db2.gz JGTSNALUAOPDSH-KSFYIVLOSA-N 0 0 484.478 5.038 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1OC ZINC000022748731 555952072 /nfs/dbraw/zinc/95/20/72/555952072.db2.gz KDUCIIHGOKVISG-YRVHBCJASA-N 0 0 490.563 5.951 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O ZINC000022751564 555952654 /nfs/dbraw/zinc/95/26/54/555952654.db2.gz LFLWYTJUFSYPRL-NEZLHVBRSA-N 0 0 493.401 7.626 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O ZINC000022751561 555952682 /nfs/dbraw/zinc/95/26/82/555952682.db2.gz LFLWYTJUFSYPRL-SSVJFZKPSA-N 0 0 493.401 7.626 40 30 JKEBRN N#C[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(=O)c2ccc(Br)cc2)[C@H]2C=Cc3ccccc3N21 ZINC000012376852 555964625 /nfs/dbraw/zinc/96/46/25/555964625.db2.gz CJHLZPFLEWTDIF-BGBNXGLDSA-N 0 0 480.365 5.733 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)n1Cc1ccccc1)CCCC2 ZINC000012492880 555989603 /nfs/dbraw/zinc/98/96/03/555989603.db2.gz FAKASDJSEUFNGM-UHFFFAOYSA-N 0 0 485.638 5.536 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000015774280 555992835 /nfs/dbraw/zinc/99/28/35/555992835.db2.gz PPVAZPVINQCCTE-DDOPLPCHSA-N 0 0 479.399 6.580 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(I)cc1 ZINC000012559921 556051126 /nfs/dbraw/zinc/05/11/26/556051126.db2.gz GXNHITBHUGJOLG-KIBLKLHPSA-N 0 0 484.263 5.559 40 30 JKEBRN COc1ccc(CC(C)N=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 ZINC000012562835 556057270 /nfs/dbraw/zinc/05/72/70/556057270.db2.gz KIAUZHUIFICXBH-BUVRLJJBSA-N 0 0 488.953 5.088 40 30 JKEBRN C[C@H]1CCC[C@H](C)N1N1C(=O)/C(=C\c2ccc(OC(F)F)cc2)S/C1=N\c1ccccc1 ZINC000015910941 556064964 /nfs/dbraw/zinc/06/49/64/556064964.db2.gz BRXAZULRYFFZAC-QUDBMFIDSA-N 0 0 457.546 6.070 40 30 JKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/c1ccc(SC(F)F)cc1 ZINC000015911381 556065541 /nfs/dbraw/zinc/06/55/41/556065541.db2.gz XMWBNLIWPYPSEC-IXPCLDGGSA-N 0 0 483.512 5.426 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2Cl)cc1OC ZINC000015920261 556067261 /nfs/dbraw/zinc/06/72/61/556067261.db2.gz YURDIQNCODRSCW-QFIPXVFZSA-N 0 0 483.973 5.240 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000015920288 556067549 /nfs/dbraw/zinc/06/75/49/556067549.db2.gz KOAKZCWMFMYTTI-RUZDIDTESA-N 0 0 489.568 5.415 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920340 556068166 /nfs/dbraw/zinc/06/81/66/556068166.db2.gz AKXXHRRYRVEWJH-RUZDIDTESA-N 0 0 470.525 5.153 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccs3)c2c1 ZINC000015920372 556068334 /nfs/dbraw/zinc/06/83/34/556068334.db2.gz PKJAGLWOJBRVFI-OAQYLSRUSA-N 0 0 464.568 5.121 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccco3)c2c1 ZINC000015920447 556068682 /nfs/dbraw/zinc/06/86/82/556068682.db2.gz PHEFLGBOWQRDNR-QHCPKHFHSA-N 0 0 476.916 5.244 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(F)cc1 ZINC000015922012 556069195 /nfs/dbraw/zinc/06/91/95/556069195.db2.gz BHVCEVLDDFLSRX-UHFFFAOYSA-N 0 0 476.500 5.572 40 30 JKEBRN O=c1oc2ccc(Br)cc2cc1-c1cnc(N=NCc2ccc(Cl)cc2)s1 ZINC000012577027 556076052 /nfs/dbraw/zinc/07/60/52/556076052.db2.gz NODDPZGWMMBCEL-NUGSKGIGSA-N 0 0 460.740 5.778 40 30 JKEBRN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1cnc(N=NCc2ccc(Br)cc2)s1 ZINC000012577076 556076087 /nfs/dbraw/zinc/07/60/87/556076087.db2.gz UGNCQHUSZDCJSZ-KTZMUZOWSA-N 0 0 495.185 6.432 40 30 JKEBRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000012600557 556090357 /nfs/dbraw/zinc/09/03/57/556090357.db2.gz CPMATKLNUCDMGV-VCOUNFBDSA-N 0 0 451.588 5.870 40 30 JKEBRN C/C(=N\n1c(-c2ccccc2F)cs/c1=N\c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000012625737 556093004 /nfs/dbraw/zinc/09/30/04/556093004.db2.gz MCEPEQBAWPCSQD-IGIGDICZSA-N 0 0 460.534 6.385 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CSc1ncccn1)[C@@H]2c1ccco1 ZINC000015973177 556097269 /nfs/dbraw/zinc/09/72/69/556097269.db2.gz UUKGOBNGQZFPSX-HSZRJFAPSA-N 0 0 460.559 5.005 40 30 JKEBRN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1OC ZINC000015973344 556097290 /nfs/dbraw/zinc/09/72/90/556097290.db2.gz KPVKCZUWWJZRQP-DEOSSOPVSA-N 0 0 478.589 5.511 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(C(F)(F)F)n1)CCCC2 ZINC000012844470 556117181 /nfs/dbraw/zinc/11/71/81/556117181.db2.gz QZDNKHQUPLUHKF-UHFFFAOYSA-N 0 0 480.562 5.767 40 30 JKEBRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000012844695 556117522 /nfs/dbraw/zinc/11/75/22/556117522.db2.gz GKUOLVYGVNZZLU-CYBMUJFWSA-N 0 0 488.560 6.094 40 30 JKEBRN C=C(C)[C@@H]1CCC=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]21 ZINC000012864840 556120358 /nfs/dbraw/zinc/12/03/58/556120358.db2.gz GPGLZMVBKWLKIY-FYFPSMGZSA-N 0 0 466.750 8.516 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000012868753 556120589 /nfs/dbraw/zinc/12/05/89/556120589.db2.gz ODSSDTBFHAYYMD-IEJZBBSASA-N 0 0 468.766 8.596 40 30 biogenic JKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000012879644 556123287 /nfs/dbraw/zinc/12/32/87/556123287.db2.gz XUDTWJGGQFHXCR-UWPNFEPOSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN Cc1cccc(/N=C2/Sc3nc4cc(C)c(C)cc4cc3CN2Cc2ccc3c(c2)OCO3)c1C ZINC000012879953 556123362 /nfs/dbraw/zinc/12/33/62/556123362.db2.gz HAKXOVPPHQYMQR-OWWNRXNESA-N 0 0 481.621 6.993 40 30 JKEBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)S2)cc1 ZINC000016161865 556127477 /nfs/dbraw/zinc/12/74/77/556127477.db2.gz DXQUUNBONXWFRZ-GOWBIRFASA-N 0 0 462.644 5.806 40 30 JKEBRN COC(=O)[C@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000016189629 556128612 /nfs/dbraw/zinc/12/86/12/556128612.db2.gz JLWPHRZIVVZZJI-VSGBNLITSA-N 0 0 468.984 6.572 40 30 JKEBRN COC(=O)[C@@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000016189623 556128672 /nfs/dbraw/zinc/12/86/72/556128672.db2.gz JLWPHRZIVVZZJI-NSOVKSMOSA-N 0 0 468.984 6.572 40 30 JKEBRN COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1ccccc1Cl ZINC000016214918 556129447 /nfs/dbraw/zinc/12/94/47/556129447.db2.gz YCWLSUMQGFEFKR-UHFFFAOYSA-N 0 0 479.927 5.721 40 30 JKEBRN COc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000016215952 556129914 /nfs/dbraw/zinc/12/99/14/556129914.db2.gz QWWPMVHVSOGJID-NJZRLIGZSA-N 0 0 456.549 6.932 40 30 JKEBRN CSc1nc(Br)c(C#N)c(-c2ccc(Br)cc2)c1Br ZINC000016248705 556131095 /nfs/dbraw/zinc/13/10/95/556131095.db2.gz XBFPMMBTTIDIET-UHFFFAOYSA-N 0 0 462.992 5.630 40 30 JKEBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000016292315 556133940 /nfs/dbraw/zinc/13/39/40/556133940.db2.gz IFSKIAHCBQFIFQ-QFEZKATASA-N 0 0 486.618 5.856 40 30 JKEBRN O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000016400592 556137837 /nfs/dbraw/zinc/13/78/37/556137837.db2.gz SKYPIIKZGDBLOT-AATRIKPKSA-N 0 0 457.991 6.946 40 30 JKEBRN N#Cc1c(-c2ccc(-c3ccc(Br)cc3)o2)cc(-c2ccccc2)nc1SCC(N)=O ZINC000016492609 556141263 /nfs/dbraw/zinc/14/12/63/556141263.db2.gz UCYYSGFCNHRWLK-UHFFFAOYSA-N 0 0 490.382 5.887 40 30 JKEBRN c1c2ccccc2n(C[C@H](CN(c2ccccc2)c2ccccc2)OC[C@@H]2CO2)c1-c1ccccc1 ZINC000016492851 556141547 /nfs/dbraw/zinc/14/15/47/556141547.db2.gz RAXSXZWSSVQMFN-XZWHSSHBSA-N 0 0 474.604 6.931 40 30 JKEBRN N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1SCCCn1c(=O)[nH]c2ccccc21 ZINC000016525039 556141760 /nfs/dbraw/zinc/14/17/60/556141760.db2.gz PLOSDVYOJUKBPF-UHFFFAOYSA-N 0 0 455.370 5.752 40 30 JKEBRN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1SCC(=O)c1cc2ccccc2oc1=O ZINC000016525584 556142104 /nfs/dbraw/zinc/14/21/04/556142104.db2.gz IRMCAFMQINRLRJ-UHFFFAOYSA-N 0 0 467.333 6.008 40 30 JKEBRN CC1C/C(=C\c2ccc(N(C)c3ccccc3)cc2)C(=O)/C(=C/c2ccc(N(C)c3ccccc3)cc2)C1 ZINC000016608305 556145899 /nfs/dbraw/zinc/14/58/99/556145899.db2.gz FBEPEDRHWCCDNP-HJBHGHCOSA-N 0 0 498.670 8.688 40 30 JKEBRN Clc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4Cl)c3)n2)cc1 ZINC000016672903 556149961 /nfs/dbraw/zinc/14/99/61/556149961.db2.gz IFGNMKGRMHAHNN-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN Clc1ccc(-c2csc(N=NCc3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 ZINC000016669714 556150045 /nfs/dbraw/zinc/15/00/45/556150045.db2.gz UOJFZMFUMKLCLV-KKMKTNMSSA-N 0 0 488.827 7.795 40 30 JKEBRN CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N/c1ccccc1 ZINC000013015219 556206491 /nfs/dbraw/zinc/20/64/91/556206491.db2.gz BOSOACBUETZISA-MLSMKVKPSA-N 0 0 460.397 5.065 40 30 JKEBRN Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 ZINC000025387442 556211235 /nfs/dbraw/zinc/21/12/35/556211235.db2.gz ZFFKZBQQWLZDQG-OHYPFYFLSA-N 0 0 483.593 5.759 40 30 JKEBRN Cc1cc(Br)ccc1/N=C/c1ccc(/C=N\c2ccc(Br)cc2C)cc1 ZINC000017063343 556214800 /nfs/dbraw/zinc/21/48/00/556214800.db2.gz OPMCYVBWXGBRET-KGRJIBJCSA-N 0 0 470.208 7.330 40 30 JKEBRN Cc1ccc(-c2csc(=NNc3csc(=O)n3Cc3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000017140967 556224769 /nfs/dbraw/zinc/22/47/69/556224769.db2.gz JETWADCDQNZJRZ-XQHINZDJSA-N 0 0 484.650 6.406 40 30 JKEBRN CCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCC)cc3)c(Cl)c2)cc1 ZINC000025693535 556230210 /nfs/dbraw/zinc/23/02/10/556230210.db2.gz YQLPULFVUJRTHY-VDTYKYKFSA-N 0 0 491.075 8.979 40 30 JKEBRN N#C[C@H](C(=O)CCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl ZINC000017176528 556231990 /nfs/dbraw/zinc/23/19/90/556231990.db2.gz BMHOWYBMWBNCMS-TXEJJXNPSA-N 0 0 454.140 6.133 40 30 JKEBRN CC(=C\c1ccccc1)/C=C\C(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C ZINC000017210598 556241827 /nfs/dbraw/zinc/24/18/27/556241827.db2.gz FGKMUICUBCAKMJ-PCRAQWQMSA-N 0 0 487.628 7.814 40 30 JKEBRN O=C(/C=C\c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccc(Cl)cc1 ZINC000017213598 556242186 /nfs/dbraw/zinc/24/21/86/556242186.db2.gz ZVIFVIRKAXWYIL-MLPAPPSSSA-N 0 0 460.744 6.560 40 30 JKEBRN O=C(/C=C\c1ccc(OCCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000017216289 556242406 /nfs/dbraw/zinc/24/24/06/556242406.db2.gz PGRWJZWSBPJOHK-IDUDEYGOSA-N 0 0 488.583 7.327 40 30 JKEBRN O=C1/C(=C\c2cccc(Br)c2)CSC/C1=C\c1cccc(Br)c1 ZINC000017254522 556248567 /nfs/dbraw/zinc/24/85/67/556248567.db2.gz HGFNERWBYXJBFK-BSHIDLADSA-N 0 0 450.195 5.995 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)n1 ZINC000026456487 556254063 /nfs/dbraw/zinc/25/40/63/556254063.db2.gz OCHOVQDEWPUTKT-BVZFJXPGSA-N 0 0 473.960 5.637 40 30 JKEBRN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000026456474 556254135 /nfs/dbraw/zinc/25/41/35/556254135.db2.gz YFMPAMMGAVXWSJ-BXKMTCNYSA-N 0 0 459.933 5.328 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000026580605 556257534 /nfs/dbraw/zinc/25/75/34/556257534.db2.gz HOTUSPFRGXWVDF-WQRHYEAKSA-N 0 0 466.411 5.968 40 30 JKEBRN O=C(CC(=CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1Cl)c1ccccc1 ZINC000017378280 556260387 /nfs/dbraw/zinc/26/03/87/556260387.db2.gz UJXVZCITVQCTJR-LKUDQCMESA-N 0 0 453.969 6.845 40 30 JKEBRN Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2C1(C#N)C#N ZINC000017611222 556262845 /nfs/dbraw/zinc/26/28/45/556262845.db2.gz YIXUXSCEBVGKPE-DKRHUIDYSA-N 0 0 488.547 5.804 40 30 JKEBRN CC(C)(C)C1=CC(=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000026787121 556263768 /nfs/dbraw/zinc/26/37/68/556263768.db2.gz GLLQITWPPRAXNM-QCWLDUFUSA-N 0 0 497.060 6.444 40 30 JKEBRN Cc1cc(C)c(N=C2S[C@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccccc2)c(C)c1 ZINC000027023844 556271966 /nfs/dbraw/zinc/27/19/66/556271966.db2.gz OACMRXHPHOWZKA-JIQALNGASA-N 0 0 469.532 7.182 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2Cl)n1 ZINC000013080579 556278442 /nfs/dbraw/zinc/27/84/42/556278442.db2.gz OTXBAJSCQCHBPF-CRICUBBOSA-N 0 0 473.960 5.637 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N/CCCCCC/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000018044071 556279345 /nfs/dbraw/zinc/27/93/45/556279345.db2.gz ZIWYILKGDHAREU-RNIAWFEPSA-N 0 0 451.310 5.908 40 30 JKEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000018055290 556280773 /nfs/dbraw/zinc/28/07/73/556280773.db2.gz ASJSGZANAFGZDV-UHFFFAOYSA-N 0 0 479.947 5.200 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)S/C2=N\c2ccccc2)cc1 ZINC000018084867 556285612 /nfs/dbraw/zinc/28/56/12/556285612.db2.gz BUVGMLDMHCHVSM-HSHJPCDPSA-N 0 0 485.609 5.336 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=S)Nc2ccc(F)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000018097358 556286999 /nfs/dbraw/zinc/28/69/99/556286999.db2.gz XQVCWXYRALXXFL-UHFFFAOYSA-N 0 0 496.015 5.364 40 30 JKEBRN COc1cccc(NC(=O)CSc2nnc(-c3ccc(/N=C\c4ccc(Cl)cc4)cc3)o2)c1 ZINC000018101699 556288106 /nfs/dbraw/zinc/28/81/06/556288106.db2.gz MCICZHKKNSEILV-WGARJPEWSA-N 0 0 478.961 5.880 40 30 JKEBRN Cc1cc(N(C)C)cc(C)c1C(=Nc1ccc(N=C(NO)c2c(C)cc(N(C)C)cc2C)cc1)NO ZINC000018151930 556294700 /nfs/dbraw/zinc/29/47/00/556294700.db2.gz MDCHJYQJNYSQKF-UHFFFAOYSA-N 0 0 488.636 5.166 40 30 JKEBRN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000018152667 556294784 /nfs/dbraw/zinc/29/47/84/556294784.db2.gz DBEASUXIVBWIPM-HXUWFJFHSA-N 0 0 457.288 5.306 40 30 JKEBRN O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000018156482 556295956 /nfs/dbraw/zinc/29/59/56/556295956.db2.gz PMLAZFNALDRGOH-JCJHSNGYSA-N 0 0 473.747 5.845 40 30 JKEBRN CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3cccc(Cl)c3)C(=O)c3ccccc32)c(C)c1 ZINC000018193529 556301598 /nfs/dbraw/zinc/30/15/98/556301598.db2.gz LVBGRYSAGJTVKT-GKPLWNPISA-N 0 0 471.988 6.377 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4Cl)c3C)C2=O)c2ccccc21 ZINC000028182521 556316358 /nfs/dbraw/zinc/31/63/58/556316358.db2.gz PYBMQKMCWYCJKD-ROTLSHHCSA-N 0 0 461.920 6.957 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182570 556316669 /nfs/dbraw/zinc/31/66/69/556316669.db2.gz CTFUKFJHVWSYKU-VYYCAZPPSA-N 0 0 469.537 6.182 40 30 JKEBRN CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(OC(C)C)c1 ZINC000018285571 556318908 /nfs/dbraw/zinc/31/89/08/556318908.db2.gz ZSMXQFOMGUZSRL-POXUNTTHSA-N 0 0 494.591 5.487 40 30 JKEBRN C=CCn1c(SCc2nnc3n2c2ccccc2c(=O)n3CC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000029408160 556351540 /nfs/dbraw/zinc/35/15/40/556351540.db2.gz ASTKCTVAYIISMR-UHFFFAOYSA-N 0 0 499.644 5.098 40 30 JKEBRN CCCCCCCCCCC[C@@H](C[C@@H]1OC[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O ZINC000019685779 556360231 /nfs/dbraw/zinc/36/02/31/556360231.db2.gz JILNSEQYEHCRJU-UNFRKHOWSA-N 0 0 481.762 7.355 40 30 in-vitro JKEBRN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1N/N=C1/SC(=N)N=C1c1ccccc1 ZINC000013134690 556364314 /nfs/dbraw/zinc/36/43/14/556364314.db2.gz LWRSINMTWYSUEK-AMSVVNAJSA-N 0 0 484.006 5.345 40 30 JKEBRN CC(=O)O/C(=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)C(F)(F)F ZINC000031628511 556400667 /nfs/dbraw/zinc/40/06/67/556400667.db2.gz NBJBKSDSMJNQOA-FCRGPEDFSA-N 0 0 468.512 5.439 40 30 in-vitro JKEBRN ClC1=C(/C=N/N2CCN(/N=C\C3=C(Cl)c4ccccc4CC3)CC2)CCc2ccccc21 ZINC000031670189 556401844 /nfs/dbraw/zinc/40/18/44/556401844.db2.gz NLLWJUYFKKEIHI-QCOHSWCKSA-N 0 0 465.428 5.768 40 30 JKEBRN O=c1oc2ccccc2c([O-])c1[C@@H](CC(CC[NH+]1CCCC1)N=Nc1ccccc1)c1ccccc1 ZINC000031841647 556408780 /nfs/dbraw/zinc/40/87/80/556408780.db2.gz FFMALAORSVKWSR-VIIWRXQGSA-N 0 0 481.596 5.975 40 30 JKEBRN C/C(=N\Nc1ccccc1)[C@@H](C[NH+](C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841591 556408855 /nfs/dbraw/zinc/40/88/55/556408855.db2.gz CKJYYVNDXWHQBU-SOPWCECKSA-N 0 0 455.558 5.296 40 30 JKEBRN COc1cc(/C=C2\CC[C@@H](C)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000031894574 556409349 /nfs/dbraw/zinc/40/93/49/556409349.db2.gz NISOQKGHYYAZDL-QTKSCKHSSA-N 0 0 468.546 5.204 40 30 JKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1OC ZINC000032115044 556421925 /nfs/dbraw/zinc/42/19/25/556421925.db2.gz PXUMALXEJKAWAH-OGLMXYFKSA-N 0 0 495.417 6.633 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(Br)cc3)sc2C1 ZINC000032124646 556427401 /nfs/dbraw/zinc/42/74/01/556427401.db2.gz RYUDKPUPUDKSBI-CYBMUJFWSA-N 0 0 463.466 6.264 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(-c4ccc(C=O)o4)cc3)sc2C1 ZINC000032124627 556427459 /nfs/dbraw/zinc/42/74/59/556427459.db2.gz BMYHJTYZSAFIRJ-SFHVURJKSA-N 0 0 490.581 5.639 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4cc(Br)ccc43)sc2C1 ZINC000032124692 556427666 /nfs/dbraw/zinc/42/76/66/556427666.db2.gz OSECZDRHRFPJGA-OAHLLOKOSA-N 0 0 470.436 6.127 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N\NC(=S)NCc2ccccc2)ccc1Sc1ccc(Cl)cc1 ZINC000032124680 556427706 /nfs/dbraw/zinc/42/77/06/556427706.db2.gz MAFUVGAHOKCFQM-OYKKKHCWSA-N 0 0 456.980 5.398 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccccc3Nc3ccccc3)sc2C1 ZINC000032124822 556427813 /nfs/dbraw/zinc/42/78/13/556427813.db2.gz PJJKXHISEFHLFR-SFHVURJKSA-N 0 0 487.625 6.310 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124768 556427892 /nfs/dbraw/zinc/42/78/92/556427892.db2.gz HLBXJZRCFSBJRS-QRVIBDJDSA-N 0 0 487.562 6.163 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)cc2[N+](=O)[O-])cc1 ZINC000032124815 556427901 /nfs/dbraw/zinc/42/79/01/556427901.db2.gz SIGHGAVDDCYDFK-FYJGNVAPSA-N 0 0 481.986 6.599 40 30 JKEBRN CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Oc1cccc(C)c1 ZINC000032634604 556455917 /nfs/dbraw/zinc/45/59/17/556455917.db2.gz DXNSUOMBJDYLHK-OQANTQSMSA-N 0 0 493.050 5.232 40 30 JKEBRN N#Cc1c(NC(=O)CSc2nnc(-c3ccncc3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000032699137 556472069 /nfs/dbraw/zinc/47/20/69/556472069.db2.gz DRANWRGLXVXEPR-UHFFFAOYSA-N 0 0 479.521 5.661 40 30 JKEBRN C(=N/c1ccccc1/N=C/c1ccc(OC[C@@H]2CCCO2)cc1)\c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032925531 556542563 /nfs/dbraw/zinc/54/25/63/556542563.db2.gz VNSOJUNJMBLWQP-SOOXXIQNSA-N 0 0 484.596 6.303 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(C)C)CC[C@@]4(C(=O)OC)CC[C@]32C)[C@@]1(C)CCC#N ZINC000253505273 560037599 /nfs/dbraw/zinc/03/75/99/560037599.db2.gz SSMJLECJBRBDME-QCBGHIPMSA-N 0 0 467.738 7.957 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@@H]1CC[C@@]2(C(=O)OC)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 ZINC000253501220 560037875 /nfs/dbraw/zinc/03/78/75/560037875.db2.gz XXCPTCZYFSRIGU-MREKQSNKSA-N 0 0 468.722 7.386 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@H]1CC[C@@]2(COC(C)=O)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 ZINC000253501181 560037879 /nfs/dbraw/zinc/03/78/79/560037879.db2.gz KONAXQKGWYDUTG-OOBVUIOSSA-N 0 0 482.749 7.776 40 30 biogenic,in-vitro JKEBRN C=C1CC[C@@H]2C(C)(C)[C@H](OC(=O)/C(C)=C\C)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000238773756 560040688 /nfs/dbraw/zinc/04/06/88/560040688.db2.gz RXCOPEUPNGTASP-NNVQQGJISA-N 0 0 464.602 6.459 40 30 biogenic,in-vitro JKEBRN CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000085504777 560074782 /nfs/dbraw/zinc/07/47/82/560074782.db2.gz UBNJQWYYWIBSGN-ZNTNEXAZSA-N 0 0 474.726 8.999 40 30 biogenic,in-vitro JKEBRN CCCCCCCCCCCc1c(=O)c(Nc2ccccc2O)cc2nc3ccccc3oc1-2 ZINC000085340919 560076194 /nfs/dbraw/zinc/07/61/94/560076194.db2.gz XBYCLADVPDIGAS-UHFFFAOYSA-N 0 0 458.602 7.815 40 30 biogenic,in-vitro JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ncnc4c3cnn4-c3ccccc3Cl)sc2C1 ZINC000008677214 562950614 /nfs/dbraw/zinc/95/06/14/562950614.db2.gz ZAISXQJNQZTCJU-CYBMUJFWSA-N 0 0 495.033 5.258 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N ZINC000008686657 569592967 /nfs/dbraw/zinc/59/29/67/569592967.db2.gz BJZOVPLVGKMJJW-GMKZXUHWSA-N 0 0 467.708 5.736 40 30 JKEBRN CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 ZINC000057313319 569596567 /nfs/dbraw/zinc/59/65/67/569596567.db2.gz ABCDYGDOEIKKQM-GOSISDBHSA-N 0 0 480.634 6.168 40 30 JKEBRN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000059137714 569602407 /nfs/dbraw/zinc/60/24/07/569602407.db2.gz ZNAKFGVGINPMEC-XJBRANNNSA-N 0 0 454.526 6.890 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000059418042 569602951 /nfs/dbraw/zinc/60/29/51/569602951.db2.gz BWBINYNQECKAEE-LPYMAVHISA-N 0 0 468.937 5.958 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)ccc1OCc1ccccc1F ZINC000059418044 569602952 /nfs/dbraw/zinc/60/29/52/569602952.db2.gz XKFRQFJAUGMEJY-OEAKJJBVSA-N 0 0 482.964 6.348 40 30 JKEBRN Fc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)cc1 ZINC000059418344 569603248 /nfs/dbraw/zinc/60/32/48/569603248.db2.gz QFXKDCXKNPMAJN-NDZAJKAJSA-N 0 0 497.578 5.770 40 30 JKEBRN Fc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000059418356 569603273 /nfs/dbraw/zinc/60/32/73/569603273.db2.gz GSRVJLAHIMQWQT-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN Fc1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)cc2)cc1 ZINC000059418360 569603299 /nfs/dbraw/zinc/60/32/99/569603299.db2.gz MITKLAFMPVGBJC-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(N3CCCCC3)cc2N2CCCCC2)sc2c1CCCC2 ZINC000059419062 569603452 /nfs/dbraw/zinc/60/34/52/569603452.db2.gz QZBXRQJVSTZHQT-MTDXEUNCSA-N 0 0 477.634 6.138 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 ZINC000059425599 569603461 /nfs/dbraw/zinc/60/34/61/569603461.db2.gz XIZKIEDWICKKQW-VULFUBBASA-N 0 0 479.945 6.807 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000059427499 569603574 /nfs/dbraw/zinc/60/35/74/569603574.db2.gz HVGUDKUDHMARED-QNKGDIEWSA-N 0 0 490.990 8.002 40 30 JKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)c1 ZINC000059426779 569603597 /nfs/dbraw/zinc/60/35/97/569603597.db2.gz BUYAWWUTRAJZLE-RGVLZGJSSA-N 0 0 453.907 6.017 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000059435457 569603759 /nfs/dbraw/zinc/60/37/59/569603759.db2.gz IJHTXBNNBREJBK-AWUWXFTQSA-N 0 0 453.973 6.260 40 30 JKEBRN C=CCOc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000059435459 569603807 /nfs/dbraw/zinc/60/38/07/569603807.db2.gz LJRKZKSQZJEKLD-GMDQVSJLSA-N 0 0 459.977 5.672 40 30 JKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3s2)cc1 ZINC000059459194 569604064 /nfs/dbraw/zinc/60/40/64/569604064.db2.gz QPYXVGJDMWVPDB-UVHMKAGCSA-N 0 0 496.057 7.260 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C)cc1 ZINC000059459537 569604084 /nfs/dbraw/zinc/60/40/84/569604084.db2.gz IFJIPNRBSLPBBQ-QMIYKTOOSA-N 0 0 489.619 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C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000034837483 569666565 /nfs/dbraw/zinc/66/65/65/569666565.db2.gz PTIQPQCKCWJVFA-UHFFFAOYSA-N 0 0 460.784 6.586 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NC=C(c1ccccc1)C(Cl)c1ccccc1 ZINC000034847973 569667051 /nfs/dbraw/zinc/66/70/51/569667051.db2.gz XBICWMYYYTWLTG-SYYLNATFSA-N 0 0 490.825 6.727 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000034853005 569667318 /nfs/dbraw/zinc/66/73/18/569667318.db2.gz AXKRHESHXWGPKD-VEDQWSTJSA-N 0 0 474.582 6.138 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000034880367 569668751 /nfs/dbraw/zinc/66/87/51/569668751.db2.gz BENATPOUIGZEKJ-LSFURLLWSA-N 0 0 461.212 5.153 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000034881383 569668833 /nfs/dbraw/zinc/66/88/33/569668833.db2.gz OJADIRSAYJYSPA-NRFANRHFSA-N 0 0 489.472 6.499 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000034888502 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/nfs/dbraw/zinc/67/61/45/569676145.db2.gz UNEOLCCLFSNAMU-VWLOTQADSA-N 0 0 481.508 5.206 40 30 JKEBRN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000035153681 569676274 /nfs/dbraw/zinc/67/62/74/569676274.db2.gz KDWQYEUGXJGCKP-UHFFFAOYSA-N 0 0 451.354 5.132 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164207 569676378 /nfs/dbraw/zinc/67/63/78/569676378.db2.gz MRNCXUAHEDNRBB-VWLOTQADSA-N 0 0 486.593 5.621 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)c2c1 ZINC000035164146 569676420 /nfs/dbraw/zinc/67/64/20/569676420.db2.gz OEDMRAWLUSLZDL-SANMLTNESA-N 0 0 498.579 5.888 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3ccccc3)c2c1 ZINC000035163945 569676428 /nfs/dbraw/zinc/67/64/28/569676428.db2.gz CFIIYHPLZLGKEA-AREMUKBSSA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(O)cc3)c2c1 ZINC000035164121 569676431 /nfs/dbraw/zinc/67/64/31/569676431.db2.gz UCIUHPAMCWSSLK-LQCSZWMHSA-N 0 0 494.547 5.103 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000035164141 569676440 /nfs/dbraw/zinc/67/64/40/569676440.db2.gz RZBGDORFCOQCPF-SANMLTNESA-N 0 0 484.552 5.714 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3cccc(O)c3)c2c1 ZINC000035164117 569676449 /nfs/dbraw/zinc/67/64/49/569676449.db2.gz JDXDBEDCVOKFHV-OXIVNLASSA-N 0 0 494.547 5.103 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccccc3F)c2c1 ZINC000035164084 569676456 /nfs/dbraw/zinc/67/64/56/569676456.db2.gz NBJNVKQZISURGS-IUKPUOCZSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035164292 569676529 /nfs/dbraw/zinc/67/65/29/569676529.db2.gz CDKXZBIZIUVKMA-HHHXNRCGSA-N 0 0 484.527 5.066 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164893 569676753 /nfs/dbraw/zinc/67/67/53/569676753.db2.gz HYMMLURWVLFACQ-VWLOTQADSA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3OC)c2c1 ZINC000035164862 569676779 /nfs/dbraw/zinc/67/67/79/569676779.db2.gz JAJPJDJDNOEYKF-AREMUKBSSA-N 0 0 482.536 5.006 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035165129 569676891 /nfs/dbraw/zinc/67/68/91/569676891.db2.gz AGZUGYRVAJCZIF-HHHXNRCGSA-N 0 0 498.554 5.699 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccs3)c2c1 ZINC000035165057 569676947 /nfs/dbraw/zinc/67/69/47/569676947.db2.gz AYAYADUMBAJTHG-XMMPIXPASA-N 0 0 472.566 5.367 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000035165067 569676965 /nfs/dbraw/zinc/67/69/65/569676965.db2.gz UAWHOXPAZLHOFL-SANMLTNESA-N 0 0 482.536 5.012 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035165120 569676989 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IWRCBLVYUGKJIS-WVOIHLJESA-N 0 0 487.049 8.288 40 30 JKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000100457697 569761608 /nfs/dbraw/zinc/76/16/08/569761608.db2.gz KWESAFJAMVCAOB-XODNFHPESA-N 0 0 479.001 7.991 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)cc1 ZINC000100478846 569761959 /nfs/dbraw/zinc/76/19/59/569761959.db2.gz HBPGADSLZTVXKP-BHGWPJFGSA-N 0 0 474.394 7.554 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(F)cc3)c2-c2ccccc2)cc1 ZINC000100477775 569761975 /nfs/dbraw/zinc/76/19/75/569761975.db2.gz ARZNZUHZBRIBOR-AJBULDERSA-N 0 0 461.496 7.609 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc4ncccc4c3)c2-c2ccccc2)cc1 ZINC000100477787 569761978 /nfs/dbraw/zinc/76/19/78/569761978.db2.gz BZWJPVFVQYXRPK-PPOKSSTKSA-N 0 0 494.554 8.018 40 30 JKEBRN C[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000100499721 569762593 /nfs/dbraw/zinc/76/25/93/569762593.db2.gz UFJBZZBHLIAIBE-FLRLBIABSA-N 0 0 458.111 5.606 40 30 JKEBRN CC1(C)CC(=O)C(C(c2ccc(OC(=O)c3ccccc3)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100499560 569762599 /nfs/dbraw/zinc/76/25/99/569762599.db2.gz LLOOGCUEOKPLRT-VWLOTQADSA-N 0 0 488.580 5.765 40 30 JKEBRN CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCCCCCCCC ZINC000100503779 569762916 /nfs/dbraw/zinc/76/29/16/569762916.db2.gz XCLRSXBFLLOLBO-BIXSNLIQSA-N 0 0 476.830 11.044 40 30 JKEBRN O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100545990 569764150 /nfs/dbraw/zinc/76/41/50/569764150.db2.gz PHECZQIOXLGUBC-NSHDSACASA-N 0 0 470.502 5.780 40 30 JKEBRN CCOC(=O)CC(CC(=O)OCC)=Nc1nc(C)n(-c2ccc(C)cc2)c1C(=O)c1ccccc1 ZINC000100743524 569768460 /nfs/dbraw/zinc/76/84/60/569768460.db2.gz FICHCFQWLSRXJP-BBDJCSJRSA-N 0 0 475.545 5.182 40 30 JKEBRN COc1c2c(cc3c1[C@H](CC(=O)/C=C\C=C(\C)CCC1=C(C)CCCC1(C)C)N(C)CC3)OCO2 ZINC000100745049 569768670 /nfs/dbraw/zinc/76/86/70/569768670.db2.gz MURVJQSDIIPTEC-ZDDXAENASA-N 0 0 479.661 6.721 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)/C(=C/c5ccco5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371729 569773576 /nfs/dbraw/zinc/77/35/76/569773576.db2.gz WFMIEDXFOXOURC-TZVUQCCTSA-N 0 0 478.761 9.353 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)/C(=C/c5ccco5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371730 569773616 /nfs/dbraw/zinc/77/36/16/569773616.db2.gz WFMIEDXFOXOURC-OZDCHTMMSA-N 0 0 478.761 9.353 40 30 JKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1OC ZINC000100921252 569775876 /nfs/dbraw/zinc/77/58/76/569775876.db2.gz XXBLGKDAJVCJND-KQWNVCNZSA-N 0 0 455.576 6.381 40 30 JKEBRN CCCCCCCCCCCCCCCCCCOc1cc(O)c(C(C)=O)cc1Br ZINC000100927951 569776166 /nfs/dbraw/zinc/77/61/66/569776166.db2.gz RMEKWVIFURODRF-UHFFFAOYSA-N 0 0 483.531 8.998 40 30 JKEBRN Clc1ccc(C=NN=C(NN=Cc2ccc(Cl)cc2)NN=Cc2cccc(Cl)c2)cc1 ZINC000100930569 569776300 /nfs/dbraw/zinc/77/63/00/569776300.db2.gz JYEVKTXYSOIFFB-BBROENKCSA-N 0 0 471.779 5.584 40 30 JKEBRN CCCCCCCCCCCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100944051 569777175 /nfs/dbraw/zinc/77/71/75/569777175.db2.gz FUSOFIWNIOWYPZ-UHFFFAOYSA-N 0 0 478.702 8.138 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccccc1 ZINC000100956961 569777910 /nfs/dbraw/zinc/77/79/10/569777910.db2.gz HVPRQEKTESRHMQ-DXJNIWACSA-N 0 0 496.632 7.217 40 30 JKEBRN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100975138 569778405 /nfs/dbraw/zinc/77/84/05/569778405.db2.gz CJIPNDSGUQCGNK-DYTRJAOYSA-N 0 0 469.813 5.108 40 30 JKEBRN CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1C(C)C ZINC000100988277 569778724 /nfs/dbraw/zinc/77/87/24/569778724.db2.gz MNQYSBXHNSXMSB-NDEPHWFRSA-N 0 0 483.741 7.997 40 30 JKEBRN CCCCCCCCC/C(=N\O)c1ccc(-c2ccc(/C(CCCCCCCCC)=N/O)cc2)cc1 ZINC000101004928 569778909 /nfs/dbraw/zinc/77/89/09/569778909.db2.gz KQIASPPTMQMBFC-FMWAKIAMSA-N 0 0 492.748 9.992 40 30 JKEBRN C=CCN1c2ccccc2/C(=C2/S/C(=N\c3ccc(C)cc3C)N(c3ccc(C)cc3C)C2=O)C1=O ZINC000101008351 569779023 /nfs/dbraw/zinc/77/90/23/569779023.db2.gz VDKGKRHQKHYXFE-GUIRJEEQSA-N 0 0 493.632 6.632 40 30 JKEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(C)cc4)nc3C#N)CC2)cc1 ZINC000036628644 569779191 /nfs/dbraw/zinc/77/91/91/569779191.db2.gz VWMGBERAHHRGTB-NTEUORMPSA-N 0 0 470.573 5.166 40 30 JKEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 ZINC000036628891 569779291 /nfs/dbraw/zinc/77/92/91/569779291.db2.gz LDKGPPMVIYAOTL-JLHYYAGUSA-N 0 0 490.991 5.511 40 30 JKEBRN CCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(C(C)(C)C)cc4)nc3C#N)CC2)cc1 ZINC000036629251 569779355 /nfs/dbraw/zinc/77/93/55/569779355.db2.gz YSYYITPCIGJUIC-OVCLIPMQSA-N 0 0 484.600 5.375 40 30 JKEBRN CCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(C(C)(C)C)cc4)nc3C#N)CC2)cc1 ZINC000036629253 569779357 /nfs/dbraw/zinc/77/93/57/569779357.db2.gz WKEWOORIAGGTNY-OVCLIPMQSA-N 0 0 498.627 5.765 40 30 JKEBRN CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)cc1 ZINC000036629211 569779401 /nfs/dbraw/zinc/77/94/01/569779401.db2.gz GBKGGBSUKLLTCL-JLHYYAGUSA-N 0 0 458.537 5.116 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000101191470 569786566 /nfs/dbraw/zinc/78/65/66/569786566.db2.gz LHIFHBXIAMQIMS-UHFFFAOYSA-N 0 0 452.511 5.064 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000101189388 569786593 /nfs/dbraw/zinc/78/65/93/569786593.db2.gz PDZJSQZLFLLWMV-UHFFFAOYSA-N 0 0 450.608 5.262 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2ccccc2o1 ZINC000101192020 569786676 /nfs/dbraw/zinc/78/66/76/569786676.db2.gz IGCWMGHPAUZEFK-UHFFFAOYSA-N 0 0 459.358 5.915 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc2ccccc2o1 ZINC000101191964 569786724 /nfs/dbraw/zinc/78/67/24/569786724.db2.gz YYCFWRRXIJESOT-UHFFFAOYSA-N 0 0 459.358 5.915 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000101192041 569786743 /nfs/dbraw/zinc/78/67/43/569786743.db2.gz MJWMWJYTOWUQCP-UHFFFAOYSA-N 0 0 459.358 5.915 40 30 JKEBRN CCCCCCCCCCCCCCCCCCc1cc(=C(C#N)C#N)ccc1=C(C#N)C#N ZINC000101463174 569798491 /nfs/dbraw/zinc/79/84/91/569798491.db2.gz WUEYJZLDLWXWLH-UHFFFAOYSA-N 0 0 456.678 6.886 40 30 JKEBRN CCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc3c(c2)C(=O)CC3)C1=O ZINC000101464245 569798618 /nfs/dbraw/zinc/79/86/18/569798618.db2.gz VQOUNYCWPUTTQL-DEOSSOPVSA-N 0 0 453.667 7.566 40 30 JKEBRN [O-]c1cc(Br)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c(Br)c1 ZINC000038162493 569799621 /nfs/dbraw/zinc/79/96/21/569799621.db2.gz GXVNSGQJWMYMLY-BHGWPJFGSA-N 0 0 495.598 6.618 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(C)c4O)c3)nc2c1 ZINC000038180034 569800235 /nfs/dbraw/zinc/80/02/35/569800235.db2.gz HDCIVACANLAUAR-PJAVDKHJSA-N 0 0 463.375 7.535 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000038194878 569800629 /nfs/dbraw/zinc/80/06/29/569800629.db2.gz OXMYSDKVOXJVSH-VROXFSQNSA-N 0 0 491.729 5.439 40 30 JKEBRN O=C1c2ccccc2C(=O)N1SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000101537348 569801363 /nfs/dbraw/zinc/80/13/63/569801363.db2.gz DZVOQEHAHQHDCP-UHFFFAOYSA-N 0 0 459.236 5.507 40 30 JKEBRN CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000101646023 569802340 /nfs/dbraw/zinc/80/23/40/569802340.db2.gz VXOBTBHRXBOEJC-PBMMBSBSSA-N 0 0 479.605 6.063 40 30 JKEBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCS1 ZINC000101659774 569802603 /nfs/dbraw/zinc/80/26/03/569802603.db2.gz BZOANZRYNTXIJM-GFULKKFKSA-N 0 0 482.539 5.450 40 30 JKEBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 ZINC000101659319 569802626 /nfs/dbraw/zinc/80/26/26/569802626.db2.gz IDXCRPZFNLURQB-LPYMAVHISA-N 0 0 472.342 5.706 40 30 JKEBRN O=C(/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000101686909 569802926 /nfs/dbraw/zinc/80/29/26/569802926.db2.gz VIWRAEWPHFWTEA-ZXQIJLNISA-N 0 0 461.974 5.494 40 30 JKEBRN CCOc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccc(Cl)cc2)cc1 ZINC000101763991 569803841 /nfs/dbraw/zinc/80/38/41/569803841.db2.gz XRDRIRYFXPFGIK-DREWNFCLSA-N 0 0 458.989 6.694 40 30 JKEBRN COc1ccc(OC)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000101892197 569807345 /nfs/dbraw/zinc/80/73/45/569807345.db2.gz FSFRNXDBSIVUKY-KIOJSIHTSA-N 0 0 476.642 6.919 40 30 JKEBRN CCNC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038802143 569807950 /nfs/dbraw/zinc/80/79/50/569807950.db2.gz PFRLVNVJKGKXOK-QHAWUGPLSA-N 0 0 458.643 5.963 40 30 JKEBRN CCCCCCCCCCCCS(=O)(=O)N/N=C(\c1ccccc1Cl)N1CCOCC1 ZINC000102145237 569810222 /nfs/dbraw/zinc/81/02/22/569810222.db2.gz WOGJMTKQSBHVJL-WJTDDFOZSA-N 0 0 472.095 5.174 40 30 JKEBRN O=C1c2ccccc2C(NS(=O)(=O)c2cccc3cccnc32)=CC1=Nc1cccc(Cl)c1 ZINC000102612513 569814572 /nfs/dbraw/zinc/81/45/72/569814572.db2.gz CCYGIFVACZEQQC-ANYBSYGZSA-N 0 0 473.941 5.259 40 30 JKEBRN CCOc1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)ccc1O ZINC000040148048 569818363 /nfs/dbraw/zinc/81/83/63/569818363.db2.gz CURJIVGHVWEVKP-OCSSWDANSA-N 0 0 468.509 6.357 40 30 JKEBRN FC(F)Oc1ccc(/N=C/c2ccc(/C=N/c3ccc(OC(F)F)c(Cl)c3)cc2)cc1Cl ZINC000102934912 569829202 /nfs/dbraw/zinc/82/92/02/569829202.db2.gz HVFKCVITDJJBOB-UYKANAEJSA-N 0 0 485.264 7.697 40 30 JKEBRN O=C(/N=C1\S[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000102940815 569829462 /nfs/dbraw/zinc/82/94/62/569829462.db2.gz JTLAUDHMFUOZJE-ZGKFLROHSA-N 0 0 456.976 5.015 40 30 JKEBRN O=C1c2ccccc2C(=O)c2cc(/N=C3\C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)ccc21 ZINC000102943624 569829620 /nfs/dbraw/zinc/82/96/20/569829620.db2.gz LROQIBNGELWOLC-DBSPLAECSA-N 0 0 455.513 5.910 40 30 JKEBRN Cc1cc(/C=N/c2ccc(/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000102941349 569829639 /nfs/dbraw/zinc/82/96/39/569829639.db2.gz IMORYUXJWMWKFY-JTOYJDTJSA-N 0 0 498.674 8.620 40 30 JKEBRN O=C(/N=C1\S[C@@H]2c3cccc4cccc(c34)[C@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000102961736 569829991 /nfs/dbraw/zinc/82/99/91/569829991.db2.gz IDZMOEJPSFIVKN-JUQUKUIASA-N 0 0 470.575 5.570 40 30 JKEBRN CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccccc1OC(F)F ZINC000102960729 569830004 /nfs/dbraw/zinc/83/00/04/569830004.db2.gz PTPRGRNRJFHFQX-VFXHURPISA-N 0 0 458.353 5.445 40 30 JKEBRN CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N\c1ccccc1C ZINC000102961045 569830062 /nfs/dbraw/zinc/83/00/62/569830062.db2.gz KTKQQBNWDKENBB-HZVWYJMBSA-N 0 0 475.614 5.535 40 30 JKEBRN C=CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OCCCC)cc1 ZINC000102960516 569830072 /nfs/dbraw/zinc/83/00/72/569830072.db2.gz OPKAPOPNJRJVCR-ZABGTVDDSA-N 0 0 476.465 6.188 40 30 JKEBRN CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\c1ccccc1 ZINC000102962140 569830152 /nfs/dbraw/zinc/83/01/52/569830152.db2.gz BOSOACBUETZISA-NKWDDMGQSA-N 0 0 460.397 5.065 40 30 JKEBRN CCOc1ccc(C(=O)C=C2Nc3ccccc3NC2=CC(=O)c2ccc(OCC)cc2)cc1 ZINC000102972104 569830370 /nfs/dbraw/zinc/83/03/70/569830370.db2.gz DKYDIXRFERKMLU-RPCRKUJJSA-N 0 0 454.526 5.855 40 30 JKEBRN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000102987391 569830696 /nfs/dbraw/zinc/83/06/96/569830696.db2.gz BZSOAWFXTYYUTG-AQWTWLKTSA-N 0 0 466.512 5.149 40 30 JKEBRN CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCC)C1 ZINC000103007052 569831508 /nfs/dbraw/zinc/83/15/08/569831508.db2.gz LJTCYIZRIYNVKN-UHFFFAOYSA-N 0 0 477.730 7.896 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)C(/C=C\I)(C(F)(F)F)C(F)(F)F ZINC000103531902 569835900 /nfs/dbraw/zinc/83/59/00/569835900.db2.gz WSFZYWPCOFAVSE-UPHRSURJSA-N 0 0 471.982 5.879 40 30 JKEBRN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1 ZINC000041083320 569836396 /nfs/dbraw/zinc/83/63/96/569836396.db2.gz AWMPVEARHKKSEY-ZLLSNJOHSA-N 0 0 474.586 5.148 40 30 JKEBRN COc1cc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Br ZINC000103878355 569838721 /nfs/dbraw/zinc/83/87/21/569838721.db2.gz KQSBFNXBFUVFGI-DDOPLPCHSA-N 0 0 495.398 6.275 40 30 JKEBRN CC(=O)OC[C@@H](C)CC/C(=N/O)[C@@H](C)[C@@H]1/C(=N/O)C[C@H]2C=C3C[C@@H](OC(C)=O)CC[C@@]3(C)C[C@@]21C ZINC000104068416 569840371 /nfs/dbraw/zinc/84/03/71/569840371.db2.gz VNPROEGGWYTDKO-IZFDHLEOSA-N 0 0 490.641 5.357 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccc2c(c1)OCO2 ZINC000104082439 569840488 /nfs/dbraw/zinc/84/04/88/569840488.db2.gz FSOHDXNWCISAQL-QQTULTPQSA-N 0 0 452.661 6.150 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1cc(Cl)ccc1O ZINC000104082448 569840527 /nfs/dbraw/zinc/84/05/27/569840527.db2.gz GKCVTDGPEVFCPM-QQTULTPQSA-N 0 0 459.096 6.780 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104082431 569840547 /nfs/dbraw/zinc/84/05/47/569840547.db2.gz NTSZSDUYHHILBN-LKUDQCMESA-N 0 0 488.094 6.983 40 30 JKEBRN C(C=CNc1ccc(N=Nc2ccccc2)cc1)=CC=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000104104217 569840876 /nfs/dbraw/zinc/84/08/76/569840876.db2.gz AHKNGFDHCPDDJO-HPKGDGMNSA-N 0 0 456.553 9.402 40 30 JKEBRN O=C1[C@@H](/N=C\c2c(O)ccc3ccccc32)CON1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104098039 569840892 /nfs/dbraw/zinc/84/08/92/569840892.db2.gz FGRZFKGEODEVSX-PPRQNECJSA-N 0 0 498.582 6.099 40 30 JKEBRN Cc1ccc(S(=O)(=O)N/N=C(C(=N/OCc2ccccc2)\c2ccccc2)/c2ccccc2)cc1 ZINC000104112319 569841003 /nfs/dbraw/zinc/84/10/03/569841003.db2.gz RGPIBBFCGHGGNO-ZUELCTOOSA-N 0 0 483.593 5.299 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)N1CCC(CCCc2ccccc2)CC1 ZINC000104109725 569841044 /nfs/dbraw/zinc/84/10/44/569841044.db2.gz LFKCEYVUYBGPMD-KTKRTIGZSA-N 0 0 467.782 9.285 40 30 JKEBRN CCCCCCCCCCCCCSCCSCCCCCCCCCCCCC ZINC000104134634 569841758 /nfs/dbraw/zinc/84/17/58/569841758.db2.gz HVIWHEROKMINAD-UHFFFAOYSA-N 0 0 458.906 11.075 40 30 JKEBRN CCCCCCCCCc1cc(=O)n(-c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)[nH]1 ZINC000104139700 569841783 /nfs/dbraw/zinc/84/17/83/569841783.db2.gz BGRXWXGLIHSDDB-UHFFFAOYSA-N 0 0 455.624 5.745 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC(=C(NNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2)cc1 ZINC000104138417 569841859 /nfs/dbraw/zinc/84/18/59/569841859.db2.gz WRYWTMLNQOCMDG-XDHTVYJESA-N 0 0 480.484 5.836 40 30 JKEBRN C(=N\N=C(C(=N/N=C\c1ccc2c(c1)CCC2)\c1ccccc1)/c1ccccc1)\c1ccc2c(c1)CCC2 ZINC000104139948 569841994 /nfs/dbraw/zinc/84/19/94/569841994.db2.gz ZHJQGGYJAPELOK-YTVSJEDUSA-N 0 0 494.642 7.011 40 30 JKEBRN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2sc(SC)nc2c1 ZINC000104140454 569842006 /nfs/dbraw/zinc/84/20/06/569842006.db2.gz NCIHCVIQIAJHSM-UHFFFAOYSA-N 0 0 484.797 7.778 40 30 JKEBRN CCCCCCCCCCCC(=O)SCCSC(=O)CCCCCCCCCCC ZINC000104156994 569842146 /nfs/dbraw/zinc/84/21/46/569842146.db2.gz VAMWNZKWGJHGKN-UHFFFAOYSA-N 0 0 458.818 9.348 40 30 JKEBRN C=C1C(=O)O[C@@H]2CC(=C)[C@H](OC(=O)c3ccccc3)CC/C(C)=C\[C@@H](OC(=O)c3ccccc3)[C@@H]12 ZINC000104154613 569842173 /nfs/dbraw/zinc/84/21/73/569842173.db2.gz HJHCKVJSRQVHKT-WGBPPLSZSA-N 0 0 472.537 5.222 40 30 JKEBRN COC1=C(OC)C(=O)C(SC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=CC1=O ZINC000104193242 569842724 /nfs/dbraw/zinc/84/27/24/569842724.db2.gz VLFSNJNJZBREKT-FGADALOGSA-N 0 0 478.739 7.645 40 30 JKEBRN COc1cc(/C=C\C2=C(C)C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C)cc(OC)c1OC ZINC000104195364 569842827 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O/N=C1C(=C\c2ccc(Cl)c(Cl)c2)\CCC[C@@H]\1[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000104283766 569844711 /nfs/dbraw/zinc/84/47/11/569844711.db2.gz WJLNMDAGYMKYBT-SEGNHWOHSA-N 0 0 460.188 7.034 40 30 JKEBRN O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000104292384 569844821 /nfs/dbraw/zinc/84/48/21/569844821.db2.gz HITDSWDYKXJLFC-KUDAPRQGSA-N 0 0 484.299 5.100 40 30 JKEBRN C/C(=N/Nc1ccccc1)[C@@H](C[NH+](C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000104295936 569844902 /nfs/dbraw/zinc/84/49/02/569844902.db2.gz CKJYYVNDXWHQBU-IMENKUDBSA-N 0 0 455.558 5.296 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)o2)cc1 ZINC000104299835 569844976 /nfs/dbraw/zinc/84/49/76/569844976.db2.gz VTZXGNBSGLBWMT-VULFUBBASA-N 0 0 462.962 6.180 40 30 JKEBRN O=C(CSc1nnc(-c2ccc(/N=C/c3ccc(Cl)cc3)cc2)o1)Nc1ccccc1Cl ZINC000104299864 569845000 /nfs/dbraw/zinc/84/50/00/569845000.db2.gz KYEXCNWIWSSHOM-LGJNPRDNSA-N 0 0 483.380 6.525 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/C=C1/C(=O)Nc2ccccc2C1=O ZINC000104301181 569845004 /nfs/dbraw/zinc/84/50/04/569845004.db2.gz AKNTZLSZJWJXLP-WJTDDFOZSA-N 0 0 499.765 7.431 40 30 JKEBRN CCCCCCCCCCCCCCCCCC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000104344094 569845152 /nfs/dbraw/zinc/84/51/52/569845152.db2.gz VAETXMYJPBLRKK-UHFFFAOYSA-N 0 0 463.706 9.259 40 30 JKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc2ccccc12 ZINC000104360094 569845246 /nfs/dbraw/zinc/84/52/46/569845246.db2.gz LOYMSMMSJNTGBH-KRUMMXJUSA-N 0 0 453.740 8.119 40 30 JKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OCC)c(OCC)c1 ZINC000104360314 569845284 /nfs/dbraw/zinc/84/52/84/569845284.db2.gz RPIAHZWJYGRWEY-KRUMMXJUSA-N 0 0 491.786 7.763 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OCC ZINC000104364856 569845288 /nfs/dbraw/zinc/84/52/88/569845288.db2.gz IYTPDOLENOXBQK-JVCXMKTPSA-N 0 0 475.787 8.145 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc(OC)c1OC ZINC000104366012 569845382 /nfs/dbraw/zinc/84/53/82/569845382.db2.gz VCKKQIPVAKLJRL-KRUMMXJUSA-N 0 0 491.786 7.763 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\[C@H](CC)CCCC ZINC000104378984 569845480 /nfs/dbraw/zinc/84/54/80/569845480.db2.gz WMLREYKLSMRNEJ-SJCFVWOQSA-N 0 0 453.825 8.914 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/[C@H](CC)CCCC ZINC000104378986 569845489 /nfs/dbraw/zinc/84/54/89/569845489.db2.gz WMLREYKLSMRNEJ-VOUPIIBTSA-N 0 0 453.825 8.914 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1c(O)ccc2ccccc21 ZINC000104374393 569845518 /nfs/dbraw/zinc/84/55/18/569845518.db2.gz RSEUQTVIPYVZDC-WGPBWIAQSA-N 0 0 497.793 8.605 40 30 JKEBRN FC(F)(F)C(F)(F)[C@@]1(C(F)(C(F)(F)F)C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F ZINC000104816273 569846429 /nfs/dbraw/zinc/84/64/29/569846429.db2.gz OZQNQQRUDNMYNL-REOHCLBHSA-N 0 0 466.062 5.649 40 30 JKEBRN COC1=C(OC)C(=O)C(C)C(=CC=C(C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)C1=O ZINC000105352828 569852828 /nfs/dbraw/zinc/85/28/28/569852828.db2.gz XGCJRRDNIMSYNC-UGSIQZKOSA-N 0 0 454.651 7.495 40 30 JKEBRN COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 ZINC000106358490 569854116 /nfs/dbraw/zinc/85/41/16/569854116.db2.gz ZDEATWPWEBYMPK-CFRMEGHHSA-N 0 0 472.326 5.544 40 30 JKEBRN CCC[C@H]1[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)C[C@@]1(O)C#Cc1ccccc1 ZINC000106587198 569854406 /nfs/dbraw/zinc/85/44/06/569854406.db2.gz BKJQDSATKUPWJM-ZXYZSCNASA-N 0 0 455.598 5.679 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000106682595 569854566 /nfs/dbraw/zinc/85/45/66/569854566.db2.gz PVSLWNFZMIYVDX-WQRHYEAKSA-N 0 0 492.778 5.360 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCC ZINC000106698130 569854757 /nfs/dbraw/zinc/85/47/57/569854757.db2.gz UKYJTBWCQCFDKI-UNOMPAQXSA-N 0 0 490.350 5.235 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(OC)c1O ZINC000106699245 569854750 /nfs/dbraw/zinc/85/47/50/569854750.db2.gz SYJUUFSLYPXQCH-NVMNQCDNSA-N 0 0 450.343 5.673 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000106707230 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493.343 5.295 40 30 JKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000408702704 570022776 /nfs/dbraw/zinc/02/27/76/570022776.db2.gz PBJGBEQYZKJZMP-HXUWFJFHSA-N 0 0 492.797 5.496 40 30 JKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(C)C)cc1 ZINC000408702809 570022842 /nfs/dbraw/zinc/02/28/42/570022842.db2.gz RRGVXDZRTULNSX-HSZRJFAPSA-N 0 0 466.534 5.112 40 30 JKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000408702775 570022885 /nfs/dbraw/zinc/02/28/85/570022885.db2.gz QSRXYJXDQNLOPS-QHCPKHFHSA-N 0 0 466.534 5.112 40 30 JKEBRN C=CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000408704894 570024209 /nfs/dbraw/zinc/02/42/09/570024209.db2.gz VGSZZMNEXPQBPW-AREMUKBSSA-N 0 0 479.001 5.931 40 30 JKEBRN C=CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 ZINC000408704895 570024240 /nfs/dbraw/zinc/02/42/40/570024240.db2.gz VGSZZMNEXPQBPW-SANMLTNESA-N 0 0 479.001 5.931 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1OC ZINC000408705363 570024517 /nfs/dbraw/zinc/02/45/17/570024517.db2.gz DAUYRHWKMVHORN-UHFFFAOYSA-N 0 0 490.503 5.496 40 30 JKEBRN CC1(C)Cc2cc(/C=C3/S/C(=N\c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)ccc2O1 ZINC000408710722 570025220 /nfs/dbraw/zinc/02/52/20/570025220.db2.gz HOMYGTSUFKTSFB-IQTNBBHXSA-N 0 0 495.431 7.516 40 30 JKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000408719745 570026324 /nfs/dbraw/zinc/02/63/24/570026324.db2.gz QDKUHCLOBBJTMA-BXHPTCRHSA-N 0 0 453.394 7.419 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCCO ZINC000408720178 570026397 /nfs/dbraw/zinc/02/63/97/570026397.db2.gz YUBHQELVRHPLGW-UHFFFAOYSA-N 0 0 489.406 5.220 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1OC ZINC000408720108 570026403 /nfs/dbraw/zinc/02/64/03/570026403.db2.gz XMZGOJLHIFTMDE-NKXCCORXSA-N 0 0 458.583 6.519 40 30 JKEBRN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(Cl)cc2)ccc1O 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JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408768586 570038402 /nfs/dbraw/zinc/03/84/02/570038402.db2.gz YPLZBASCUBPXIQ-YNMQQHPQSA-N 0 0 474.601 6.295 40 30 JKEBRN COC(=O)Cn1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21 ZINC000408768588 570038408 /nfs/dbraw/zinc/03/84/08/570038408.db2.gz YQCFYIOBOBKJEX-LSCVHKIXSA-N 0 0 460.342 5.013 40 30 JKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408769217 570038518 /nfs/dbraw/zinc/03/85/18/570038518.db2.gz PMBBOQXFNPSILW-FOKLQQMPSA-N 0 0 493.732 6.319 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(I)cc1 ZINC000408769220 570038585 /nfs/dbraw/zinc/03/85/85/570038585.db2.gz PMSAZSWEOIBCHK-PCLIKHOPSA-N 0 0 485.369 5.286 40 30 JKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(Br)cc2)o1)c1ccc(Br)cc1 ZINC000408769138 570038591 /nfs/dbraw/zinc/03/85/91/570038591.db2.gz OUDAVLYSZIVASM-SRZZPIQSSA-N 0 0 498.196 5.034 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408771266 570038887 /nfs/dbraw/zinc/03/88/87/570038887.db2.gz GICWLLNQUDXZDL-OGLMXYFKSA-N 0 0 496.436 7.805 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(I)cc1 ZINC000408770967 570038889 /nfs/dbraw/zinc/03/88/89/570038889.db2.gz BJNDOBJSWJQAHP-UUYOSTAYSA-N 0 0 479.159 6.212 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c(C)c1 ZINC000408771916 570039121 /nfs/dbraw/zinc/03/91/21/570039121.db2.gz KBVQVVRFCXJHCI-DHRITJCHSA-N 0 0 486.353 5.853 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408772569 570039362 /nfs/dbraw/zinc/03/93/62/570039362.db2.gz CWPKAVRQCSAEQD-NVMNQCDNSA-N 0 0 487.324 5.981 40 30 JKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(Br)cc2F)o1)c1ccc(Cl)cc1 ZINC000408773626 570039619 /nfs/dbraw/zinc/03/96/19/570039619.db2.gz SASXFHSZLLCECT-LSHDLFTRSA-N 0 0 471.735 5.064 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408774740 570039955 /nfs/dbraw/zinc/03/99/55/570039955.db2.gz MZOVSMHELKJKFC-QRVIBDJDSA-N 0 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570042271 /nfs/dbraw/zinc/04/22/71/570042271.db2.gz KZOVKPJBHMZWFX-HAHDFKILSA-N 0 0 459.571 5.471 40 30 JKEBRN COc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000408783285 570042293 /nfs/dbraw/zinc/04/22/93/570042293.db2.gz MDLDUZXQBHBXAW-KIBLKLHPSA-N 0 0 480.735 5.254 40 30 JKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(I)cc1 ZINC000408783251 570042337 /nfs/dbraw/zinc/04/23/37/570042337.db2.gz LUCFYSSRJQVSAT-FMCGGJTJSA-N 0 0 493.186 6.520 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408783940 570042468 /nfs/dbraw/zinc/04/24/68/570042468.db2.gz QWCJQUPBDPPSQQ-FMCGGJTJSA-N 0 0 489.313 5.675 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OC ZINC000408785123 570042751 /nfs/dbraw/zinc/04/27/51/570042751.db2.gz XWZZLFJRJOXOCR-QUYTYNJFSA-N 0 0 459.409 5.348 40 30 JKEBRN O=S(=O)(NCc1ccc(/C=N/c2cccc(Br)c2)o1)c1ccc(Br)cc1 ZINC000408785251 570042994 /nfs/dbraw/zinc/04/29/94/570042994.db2.gz XMYZJWQLCNJWGD-SRZZPIQSSA-N 0 0 498.196 5.034 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408785664 570043000 /nfs/dbraw/zinc/04/30/00/570043000.db2.gz AMMGWYMCKAXKBC-XYGWBWBKSA-N 0 0 457.643 6.900 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OC ZINC000408786247 570043096 /nfs/dbraw/zinc/04/30/96/570043096.db2.gz MZMIFLDFQOPGOO-RIYZIHGNSA-N 0 0 488.190 5.665 40 30 JKEBRN O=C(NCc1ccccc1)c1c2c(sc1/N=C\c1ccccc1OCc1ccccc1F)CCCC2 ZINC000408786991 570043463 /nfs/dbraw/zinc/04/34/63/570043463.db2.gz PKFULEKYFQYOQS-APTWKGOFSA-N 0 0 498.623 7.026 40 30 JKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 ZINC000408788004 570043583 /nfs/dbraw/zinc/04/35/83/570043583.db2.gz BZRAQBOSKACKIB-OYKKKHCWSA-N 0 0 458.343 6.156 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000408789085 570043696 /nfs/dbraw/zinc/04/36/96/570043696.db2.gz JAUCNSGRYBYSED-XMVKSMNGSA-N 0 0 478.621 6.162 40 30 JKEBRN 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570050474 /nfs/dbraw/zinc/05/04/74/570050474.db2.gz WDEUJIVWAJYCCR-UNOMPAQXSA-N 0 0 491.350 5.265 40 30 JKEBRN CC/N=C1\S/C(=C/c2oc(Nc3cccc(Cl)c3)c(C(=O)OCC)c2Cl)C(=O)N1CC ZINC000408815951 570050494 /nfs/dbraw/zinc/05/04/94/570050494.db2.gz JYFBAPUCGCKRGD-JGUWBDOCSA-N 0 0 482.389 5.819 40 30 JKEBRN O=C1/C(=C/c2ccccc2OCc2cccc(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408816095 570050567 /nfs/dbraw/zinc/05/05/67/570050567.db2.gz ITOIWWQRGAVCSK-BOTKPODPSA-N 0 0 497.019 7.728 40 30 JKEBRN CCOc1cc(/C=N/c2sc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408816573 570050683 /nfs/dbraw/zinc/05/06/83/570050683.db2.gz UDCKLZHECWFROH-KKMKTNMSSA-N 0 0 459.398 7.272 40 30 JKEBRN COc1ccc(/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000408816611 570050729 /nfs/dbraw/zinc/05/07/29/570050729.db2.gz JVXKVKLZYXEYKZ-OGLMXYFKSA-N 0 0 495.000 6.083 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408816885 570050780 /nfs/dbraw/zinc/05/07/80/570050780.db2.gz URZQAMJFNOLOMX-JLPGSUDCSA-N 0 0 491.996 6.897 40 30 JKEBRN O=C1CCCC2=C1[C@H](c1cn(Cc3ccccc3)c3ccccc13)Nc1ccc3ccccc3c12 ZINC000408816981 570050801 /nfs/dbraw/zinc/05/08/01/570050801.db2.gz WWWIIHPETUAZHI-YTTGMZPUSA-N 0 0 454.573 7.516 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=Nc3cccc([N+](=O)[O-])c3)NC2=O)c2ccccc21 ZINC000408817156 570050804 /nfs/dbraw/zinc/05/08/04/570050804.db2.gz KTTVEBJOZTVDHO-MSXFZWOLSA-N 0 0 479.521 5.361 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408818060 570051120 /nfs/dbraw/zinc/05/11/20/570051120.db2.gz OVBMKXFVYQASEW-HMAPJEAMSA-N 0 0 494.410 6.576 40 30 JKEBRN C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408818304 570051170 /nfs/dbraw/zinc/05/11/70/570051170.db2.gz XKUABGGKZNQYBH-FFCNRAIOSA-N 0 0 460.883 6.366 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408818859 570051424 /nfs/dbraw/zinc/05/14/24/570051424.db2.gz YOOLNGBIZYAFLG-IPPBACCNSA-N 0 0 485.436 7.534 40 30 JKEBRN 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ZINC000408821468 570052040 /nfs/dbraw/zinc/05/20/40/570052040.db2.gz HVBRNZBFVXHELF-BGTPXQLESA-N 0 0 455.627 7.024 40 30 JKEBRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccccc3)c3ccccc32)cc1 ZINC000408822497 570052143 /nfs/dbraw/zinc/05/21/43/570052143.db2.gz MUIHRYNXFYMHHE-YXGOBNHISA-N 0 0 498.582 6.039 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)cc1C ZINC000408824178 570052342 /nfs/dbraw/zinc/05/23/42/570052342.db2.gz PZUQHEBPNOTHRW-YUMHPJSZSA-N 0 0 499.035 7.581 40 30 JKEBRN C#CCOc1c(Br)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000408827874 570052549 /nfs/dbraw/zinc/05/25/49/570052549.db2.gz VFNDKYSDMNJHPO-AREMUKBSSA-N 0 0 488.381 6.296 40 30 JKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 ZINC000408833254 570052973 /nfs/dbraw/zinc/05/29/73/570052973.db2.gz XBZHPMIQZLUERY-MBTHVWNTSA-N 0 0 495.576 6.747 40 30 JKEBRN COc1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408839895 570053467 /nfs/dbraw/zinc/05/34/67/570053467.db2.gz BEGCUOQVFSTPRP-PBMMBSBSSA-N 0 0 479.605 6.911 40 30 JKEBRN COc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)c(OC)c1Br ZINC000408840296 570053628 /nfs/dbraw/zinc/05/36/28/570053628.db2.gz DFVSMHPNMRXGOF-JYRVWZFOSA-N 0 0 456.155 5.558 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000408841339 570053696 /nfs/dbraw/zinc/05/36/96/570053696.db2.gz GKIPRHLZSHDGOT-RUZDIDTESA-N 0 0 485.967 6.051 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408842168 570053816 /nfs/dbraw/zinc/05/38/16/570053816.db2.gz NDPWDMQULDGTCI-RUZDIDTESA-N 0 0 496.519 5.305 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000408841559 570053835 /nfs/dbraw/zinc/05/38/35/570053835.db2.gz JUSUVMBOZTVMAK-HSZRJFAPSA-N 0 0 473.613 6.119 40 30 JKEBRN O=C1/C(=C/c2ccccc2OCc2ccccc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408842651 570053918 /nfs/dbraw/zinc/05/39/18/570053918.db2.gz 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CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1C ZINC000408851630 570055765 /nfs/dbraw/zinc/05/57/65/570055765.db2.gz DSYRIQLJIPAODG-LNEVDLFMSA-N 0 0 497.708 7.902 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(-c3cc(Cl)ccc3Cl)o1)CCCC2 ZINC000408852650 570055859 /nfs/dbraw/zinc/05/58/59/570055859.db2.gz MLEHXALHZWQECT-FDVSRXAVSA-N 0 0 495.431 8.197 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)o2)cc1[N+](=O)[O-] ZINC000408854425 570056122 /nfs/dbraw/zinc/05/61/22/570056122.db2.gz FOCSKMSWRWDJRP-NTFVMDSBSA-N 0 0 485.565 7.106 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408854435 570056166 /nfs/dbraw/zinc/05/61/66/570056166.db2.gz FTDDRERSWDMLJW-DUVZRXQJSA-N 0 0 482.577 5.704 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000408854847 570056236 /nfs/dbraw/zinc/05/62/36/570056236.db2.gz AIRHEUCJCZLBGF-JXKYSLRESA-N 0 0 450.604 5.623 40 30 JKEBRN 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CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408855948 570056498 /nfs/dbraw/zinc/05/64/98/570056498.db2.gz OYSVFPZPXWRARV-ZOBKUTJXSA-N 0 0 452.551 5.939 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)ccc2O)sc2c1CCCC2 ZINC000408857014 570056638 /nfs/dbraw/zinc/05/66/38/570056638.db2.gz MPMDDWCIKQYSME-CFRMEGHHSA-N 0 0 455.377 6.098 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1Br ZINC000408856856 570056677 /nfs/dbraw/zinc/05/66/77/570056677.db2.gz FBPNHAANWHIPQJ-UNOMPAQXSA-N 0 0 459.365 5.223 40 30 JKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408857609 570056779 /nfs/dbraw/zinc/05/67/79/570056779.db2.gz OTBXFPMIRUVQTB-YKQZZPSBSA-N 0 0 473.686 7.347 40 30 JKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408857787 570056794 /nfs/dbraw/zinc/05/67/94/570056794.db2.gz PYFCPTWGQXPKMN-FMCGGJTJSA-N 0 0 485.374 6.895 40 30 JKEBRN Cc1cc(/N=C\c2cc(Br)c(Br)o2)ccc1I ZINC000408857805 570056809 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570080028 /nfs/dbraw/zinc/08/00/28/570080028.db2.gz HKTQUVVAGXDDFQ-STBIYBPSSA-N 0 0 485.411 6.558 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C(=O)N1CC ZINC000408931353 570080054 /nfs/dbraw/zinc/08/00/54/570080054.db2.gz KLNYCCRAKLYAKU-ATAQLJSPSA-N 0 0 459.409 5.649 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1CC ZINC000408931260 570080061 /nfs/dbraw/zinc/08/00/61/570080061.db2.gz JFPRWWXABOZYIW-LVKIEVKJSA-N 0 0 463.372 5.479 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1O[C@@H](C)CC ZINC000408931498 570080103 /nfs/dbraw/zinc/08/01/03/570080103.db2.gz MJLMASBYBDGHDH-XUANBZSPSA-N 0 0 461.400 5.612 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408931490 570080105 /nfs/dbraw/zinc/08/01/05/570080105.db2.gz MHNQWSBQGWWBMS-WAMJVRJTSA-N 0 0 492.572 5.664 40 30 JKEBRN Cc1c(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408931429 570080152 /nfs/dbraw/zinc/08/01/52/570080152.db2.gz LLBJSILGCQEOGG-NUJZUDFISA-N 0 0 486.335 7.225 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408931560 570080165 /nfs/dbraw/zinc/08/01/65/570080165.db2.gz NDRKLGFLRYTTLZ-WGOQTCKBSA-N 0 0 452.396 5.752 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408931600 570080167 /nfs/dbraw/zinc/08/01/67/570080167.db2.gz NSXBOVJRQJYEHR-LQKURTRISA-N 0 0 471.384 6.168 40 30 JKEBRN Cc1cc(C)c(N=C2S/C(=C\c3ccc(O)c(I)c3)C(=O)N2C)c(C)c1 ZINC000408965707 570087364 /nfs/dbraw/zinc/08/73/64/570087364.db2.gz XHPIRYQHRQCWDY-NFFGIOBBSA-N 0 0 478.355 5.156 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)c1 ZINC000408931668 570080276 /nfs/dbraw/zinc/08/02/76/570080276.db2.gz OQXWWVRVVFODTJ-JFLMPSFJSA-N 0 0 486.355 6.068 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C(=O)N1CC ZINC000408931675 570080302 /nfs/dbraw/zinc/08/03/02/570080302.db2.gz OTTQPJXQWCCMHY-DLTIJESOSA-N 0 0 455.418 5.337 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)N1CC ZINC000408931951 570080307 /nfs/dbraw/zinc/08/03/07/570080307.db2.gz SJKQZIGPQKVDIW-WUDIKGTHSA-N 0 0 470.392 5.212 40 30 JKEBRN Ic1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000408932077 570080311 /nfs/dbraw/zinc/08/03/11/570080311.db2.gz SUHITELVNFOIKD-YZSQISJMSA-N 0 0 498.364 5.457 40 30 JKEBRN Brc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000408932143 570080356 /nfs/dbraw/zinc/08/03/56/570080356.db2.gz UOVMKRAAZFLYCJ-YZSQISJMSA-N 0 0 451.364 5.615 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408932111 570080379 /nfs/dbraw/zinc/08/03/79/570080379.db2.gz UEJHNJGIABJYLR-AJBULDERSA-N 0 0 474.576 6.119 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408932293 570080468 /nfs/dbraw/zinc/08/04/68/570080468.db2.gz VKLJBRDLFKQTNL-NVJOKUIPSA-N 0 0 497.286 6.641 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccc(C)cc1 ZINC000408932259 570080487 /nfs/dbraw/zinc/08/04/87/570080487.db2.gz VEXDKGGMZCXQID-TWKHWXDSSA-N 0 0 456.586 5.898 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(Br)ccc2OC)S/C1=N\c1ccccc1 ZINC000408932578 570080543 /nfs/dbraw/zinc/08/05/43/570080543.db2.gz XQBMTOXRLJPAIS-IVTNFPRSSA-N 0 0 461.381 5.098 40 30 JKEBRN O=C(Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21)Nc1ccc(F)cc1 ZINC000408932643 570080545 /nfs/dbraw/zinc/08/05/45/570080545.db2.gz YOVIHAGYMFMTBY-STBIYBPSSA-N 0 0 456.521 5.006 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408932577 570080560 /nfs/dbraw/zinc/08/05/60/570080560.db2.gz XQALGWQPXRKTQG-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)c1 ZINC000408932743 570080573 /nfs/dbraw/zinc/08/05/73/570080573.db2.gz YZYMXEGKUWGPQK-WGOQTCKBSA-N 0 0 496.361 5.524 40 30 JKEBRN Cc1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2Br)c1 ZINC000408933002 570080699 /nfs/dbraw/zinc/08/06/99/570080699.db2.gz GMITZTLONOSPQM-WKIKZPBSSA-N 0 0 463.297 6.801 40 30 JKEBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)S/C1=N\c1ccc(OC)cc1 ZINC000408933669 570080772 /nfs/dbraw/zinc/08/07/72/570080772.db2.gz JVWNDPZPZAZTRY-DOGKOTLKSA-N 0 0 496.032 6.007 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)S/C1=N\c1ccc(OC)cc1 ZINC000408934103 570080876 /nfs/dbraw/zinc/08/08/76/570080876.db2.gz LGWSBRWQPMGYEH-KHHYFDFNSA-N 0 0 482.989 6.167 40 30 JKEBRN COCCCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N\c1ccccc1 ZINC000408934046 570080898 /nfs/dbraw/zinc/08/08/98/570080898.db2.gz KWOMMRQEZRXNIL-HXNPFYCNSA-N 0 0 460.555 5.790 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2C)c(C)c1 ZINC000408933748 570080929 /nfs/dbraw/zinc/08/09/29/570080929.db2.gz KNVOONNQOTVVCT-UCQKPKSFSA-N 0 0 459.571 5.389 40 30 JKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000408934577 570081033 /nfs/dbraw/zinc/08/10/33/570081033.db2.gz BJBNFPBNFIHORN-ZXTXMINQSA-N 0 0 456.589 7.843 40 30 JKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000408934571 570081077 /nfs/dbraw/zinc/08/10/77/570081077.db2.gz BJBNFPBNFIHORN-VGRDVIOBSA-N 0 0 456.589 7.843 40 30 JKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000408934574 570081080 /nfs/dbraw/zinc/08/10/80/570081080.db2.gz BJBNFPBNFIHORN-VKKMBDQPSA-N 0 0 456.589 7.843 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408934998 570081124 /nfs/dbraw/zinc/08/11/24/570081124.db2.gz BXMMOWHUEWHBJA-WYJNLUMOSA-N 0 0 458.989 7.243 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-c4cc5ccccc5o4)cc3)c2C)c(C)c1 ZINC000408935189 570081135 /nfs/dbraw/zinc/08/11/35/570081135.db2.gz MWXAIAYRIQJHMO-FDAWAROLSA-N 0 0 462.549 7.353 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408935690 570081281 /nfs/dbraw/zinc/08/12/81/570081281.db2.gz INYWTQUMUNDZSW-WTXGPGAFSA-N 0 0 462.593 6.983 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408935547 570081337 /nfs/dbraw/zinc/08/13/37/570081337.db2.gz HSVJRRHXPBFDIK-WTXGPGAFSA-N 0 0 464.609 7.536 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408936000 570081406 /nfs/dbraw/zinc/08/14/06/570081406.db2.gz FKLNQFMMZJSSIM-BACCJKGJSA-N 0 0 485.425 7.591 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408936004 570081409 /nfs/dbraw/zinc/08/14/09/570081409.db2.gz FKLNQFMMZJSSIM-LNAYXSFYSA-N 0 0 485.425 7.591 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408936068 570081490 /nfs/dbraw/zinc/08/14/90/570081490.db2.gz JVTVMNAYXKPNIQ-VQWBVUPTSA-N 0 0 466.625 7.760 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Br)ccc2OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408936425 570081495 /nfs/dbraw/zinc/08/14/95/570081495.db2.gz GGOLUOAQUXYMPP-KSEXSDGBSA-N 0 0 489.257 5.430 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2Br)c1 ZINC000408936289 570081509 /nfs/dbraw/zinc/08/15/09/570081509.db2.gz PBCPEQLJDUDAAI-ZRGSRPPYSA-N 0 0 494.267 6.401 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408936654 570081627 /nfs/dbraw/zinc/08/16/27/570081627.db2.gz HCXYLZORCJRGQL-AKVPOSQESA-N 0 0 458.989 7.324 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408937072 570081630 /nfs/dbraw/zinc/08/16/30/570081630.db2.gz HROOPZSMWLNVNA-UUOHNITCSA-N 0 0 487.441 7.733 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408937365 570081757 /nfs/dbraw/zinc/08/17/57/570081757.db2.gz IZZBJPWBXLVVAY-QNAAZPGRSA-N 0 0 487.441 7.815 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000408937148 570081800 /nfs/dbraw/zinc/08/18/00/570081800.db2.gz IIQRZPWCOGFJQO-KSEXSDGBSA-N 0 0 461.261 5.835 40 30 JKEBRN FC(F)(F)Cn1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2)n1 ZINC000252486848 570081874 /nfs/dbraw/zinc/08/18/74/570081874.db2.gz HPIJOWZYGLPTGY-IOXBOXJCSA-N 0 0 483.203 5.674 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408937793 570081885 /nfs/dbraw/zinc/08/18/85/570081885.db2.gz JUZHYRMHFIVFOP-VCFQAFBRSA-N 0 0 473.016 7.715 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Br)c1O ZINC000408937677 570081932 /nfs/dbraw/zinc/08/19/32/570081932.db2.gz JJCUGLOBQSBTSO-UBPLPKOYSA-N 0 0 475.386 6.740 40 30 JKEBRN Cc1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Br)cc1 ZINC000408938051 570081944 /nfs/dbraw/zinc/08/19/44/570081944.db2.gz KGGKOGCYCSXMMX-FMCGGJTJSA-N 0 0 485.294 5.599 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cccc(F)c3)cc1)N2 ZINC000408938626 570082008 /nfs/dbraw/zinc/08/20/08/570082008.db2.gz LHHZDMLPQGRWMD-PNPSRAFJSA-N 0 0 488.606 8.290 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408938595 570082029 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/nfs/dbraw/zinc/08/25/85/570082585.db2.gz OIEUXSWJOKIIJI-PNLYLYDTSA-N 0 0 450.582 7.146 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4cccc(F)c4)cc3)cc1)N2 ZINC000408941245 570082671 /nfs/dbraw/zinc/08/26/71/570082671.db2.gz OZZGYHRZQIPBTC-LTJVEFDCSA-N 0 0 488.606 8.290 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408941796 570082759 /nfs/dbraw/zinc/08/27/59/570082759.db2.gz PSCAPVDNZGYSTQ-BREWHQDZSA-N 0 0 487.043 8.105 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408942217 570082766 /nfs/dbraw/zinc/08/27/66/570082766.db2.gz YFHBRGJMKLLKQO-UEWURZGNSA-N 0 0 452.598 7.370 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408942396 570082873 /nfs/dbraw/zinc/08/28/73/570082873.db2.gz QPGUUYZULXKAQA-ANNWOJBOSA-N 0 0 497.436 7.347 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408942397 570082884 /nfs/dbraw/zinc/08/28/84/570082884.db2.gz QPGUUYZULXKAQA-BARGHJKMSA-N 0 0 497.436 7.347 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)c1 ZINC000408942405 570082891 /nfs/dbraw/zinc/08/28/91/570082891.db2.gz QQHSTRMMVZYFDK-GDZIUGGYSA-N 0 0 484.643 8.460 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 ZINC000408942343 570082960 /nfs/dbraw/zinc/08/29/60/570082960.db2.gz XKALRJTZTWXQBQ-NVJOKUIPSA-N 0 0 453.291 7.346 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3)cc1)N2 ZINC000408942953 570083059 /nfs/dbraw/zinc/08/30/59/570083059.db2.gz RGEOORQPUFFWFK-UNEWNHIMSA-N 0 0 470.616 8.151 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408943108 570083100 /nfs/dbraw/zinc/08/31/00/570083100.db2.gz RPASBLXTLIABHJ-ATZHYDLXSA-N 0 0 473.414 7.343 40 30 JKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408943367 570083177 /nfs/dbraw/zinc/08/31/77/570083177.db2.gz SBYYTVQUTJFFDL-IDHNXLSESA-N 0 0 455.001 7.790 40 30 JKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)cc1)N2 ZINC000408944688 570083271 /nfs/dbraw/zinc/08/32/71/570083271.db2.gz URIVKCOENDMKQE-OSGIXHFBSA-N 0 0 498.670 8.768 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408944668 570083272 /nfs/dbraw/zinc/08/32/72/570083272.db2.gz URARDYMXUHPSKQ-DGTAYUIYSA-N 0 0 474.579 7.982 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408944804 570083273 /nfs/dbraw/zinc/08/32/73/570083273.db2.gz VIHNHVRNPDITRL-PODFCCBWSA-N 0 0 485.027 7.799 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408944953 570083280 /nfs/dbraw/zinc/08/32/80/570083280.db2.gz VOTQZGXPFUYNEB-ROTLSHHCSA-N 0 0 484.896 5.807 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408944674 570083292 /nfs/dbraw/zinc/08/32/92/570083292.db2.gz URARDYMXUHPSKQ-YSCUOVIOSA-N 0 0 474.579 7.982 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408944226 570083298 /nfs/dbraw/zinc/08/32/98/570083298.db2.gz UCQNVMMHURIODE-CGJSUDSXSA-N 0 0 459.387 7.035 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408944745 570083300 /nfs/dbraw/zinc/08/33/00/570083300.db2.gz UYOMXQCHJZJOEZ-OXWUDKEFSA-N 0 0 468.600 7.737 40 30 JKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408945513 570083387 /nfs/dbraw/zinc/08/33/87/570083387.db2.gz WOVQQUAMLNTWBS-BMQFKMCRSA-N 0 0 474.579 7.982 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408945338 570083408 /nfs/dbraw/zinc/08/34/08/570083408.db2.gz WGJCPMKWDJWOEC-JZUREXBKSA-N 0 0 497.436 7.347 40 30 JKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408945522 570083410 /nfs/dbraw/zinc/08/34/10/570083410.db2.gz WOVQQUAMLNTWBS-QYDGWAMYSA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408945554 570083413 /nfs/dbraw/zinc/08/34/13/570083413.db2.gz WPYACYNGMXSDFF-YKPORMHFSA-N 0 0 458.989 7.324 40 30 JKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408945518 570083417 /nfs/dbraw/zinc/08/34/17/570083417.db2.gz WOVQQUAMLNTWBS-LDCJCKRGSA-N 0 0 474.579 7.982 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408945344 570083421 /nfs/dbraw/zinc/08/34/21/570083421.db2.gz WGLWAHPEDPZISL-TUEGPZCLSA-N 0 0 470.616 8.151 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408945225 570083430 /nfs/dbraw/zinc/08/34/30/570083430.db2.gz WGJCPMKWDJWOEC-FMLIKCQESA-N 0 0 497.436 7.347 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccc(C)cc5[C@@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408945785 570083545 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/nfs/dbraw/zinc/08/38/24/570083824.db2.gz BOBZSHHLGAXVEH-RKPSFQJFSA-N 0 0 470.186 5.655 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1 ZINC000408949229 570083890 /nfs/dbraw/zinc/08/38/90/570083890.db2.gz ACWMVTPUGGLIPJ-MFKUBSTISA-N 0 0 498.564 5.888 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(Br)c3)S2)cc1 ZINC000408950075 570083946 /nfs/dbraw/zinc/08/39/46/570083946.db2.gz DHYORWIQOQIDHS-MHWRWJLKSA-N 0 0 467.772 5.401 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)c(C)c1 ZINC000408950524 570084018 /nfs/dbraw/zinc/08/40/18/570084018.db2.gz FZQMBFAGZCVQAM-QPEQYQDCSA-N 0 0 456.159 5.313 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5cc(C)ccc5[nH]4)o3)S2)cc1 ZINC000408949963 570084024 /nfs/dbraw/zinc/08/40/24/570084024.db2.gz CTQZPJJPWSPNPO-DEDYPNTBSA-N 0 0 476.583 5.906 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408950127 570084028 /nfs/dbraw/zinc/08/40/28/570084028.db2.gz DORJBXLMZXAJON-MFKUBSTISA-N 0 0 498.564 5.888 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000408950123 570084045 /nfs/dbraw/zinc/08/40/45/570084045.db2.gz DOEXCEOTEYJYBM-NARSBJQYSA-N 0 0 485.565 5.892 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)c1 ZINC000408951203 570084084 /nfs/dbraw/zinc/08/40/84/570084084.db2.gz IEPGHYOVFGAFET-QPEQYQDCSA-N 0 0 456.159 5.313 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1)c1ccccc1F ZINC000408950737 570084121 /nfs/dbraw/zinc/08/41/21/570084121.db2.gz HMVJIEMGCPYZPO-DHRITJCHSA-N 0 0 462.462 5.523 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)S2)cc1 ZINC000408952156 570084229 /nfs/dbraw/zinc/08/42/29/570084229.db2.gz KNYFATAJBYFWEB-NLRVBDNBSA-N 0 0 488.657 6.231 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 ZINC000408951277 570084265 /nfs/dbraw/zinc/08/42/65/570084265.db2.gz INKBRXFVHYHXNI-HYARGMPZSA-N 0 0 451.979 6.038 40 30 JKEBRN Brc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)oc1I ZINC000408952244 570084353 /nfs/dbraw/zinc/08/43/53/570084353.db2.gz LSEZYROUWXAEKY-SSDVNMTOSA-N 0 0 492.110 6.811 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC)cc3OCC)S2)cc1 ZINC000408952829 570084355 /nfs/dbraw/zinc/08/43/55/570084355.db2.gz NCOQSSPGKNDTRP-UDWIEESQSA-N 0 0 491.407 5.537 40 30 JKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1cccc(F)c1 ZINC000408952756 570084370 /nfs/dbraw/zinc/08/43/70/570084370.db2.gz MMRAAFCYUVGAJK-AQINLTQESA-N 0 0 460.122 5.178 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408953159 570084439 /nfs/dbraw/zinc/08/44/39/570084439.db2.gz ONHMJYMKGOOBGM-AHSZANDNSA-N 0 0 499.228 5.495 40 30 JKEBRN Brc1cc(/C=N\c2ccccc2I)oc1Br ZINC000408953380 570084493 /nfs/dbraw/zinc/08/44/93/570084493.db2.gz PCZQPCLBDUKREA-UUASQNMZSA-N 0 0 454.887 5.160 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC ZINC000408953879 570084612 /nfs/dbraw/zinc/08/46/12/570084612.db2.gz QKOYSMOXDMYZCN-HAVVHWLPSA-N 0 0 462.571 5.116 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 ZINC000408954807 570084752 /nfs/dbraw/zinc/08/47/52/570084752.db2.gz VHJJYYIKKSHSSW-HYARGMPZSA-N 0 0 462.527 5.332 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408955670 570084822 /nfs/dbraw/zinc/08/48/22/570084822.db2.gz YGVIICMSZVAOII-HZHRSRAPSA-N 0 0 475.526 5.464 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)S2)cc1 ZINC000408955244 570084833 /nfs/dbraw/zinc/08/48/33/570084833.db2.gz WPLWIYKZWYTMRQ-PCLIKHOPSA-N 0 0 492.572 6.094 40 30 JKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(I)c1OCc1ccccc1 ZINC000408955761 570084841 /nfs/dbraw/zinc/08/48/41/570084841.db2.gz PEZFKVOPCWHQLZ-BRJLIKDPSA-N 0 0 486.309 5.711 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 ZINC000408955734 570084854 /nfs/dbraw/zinc/08/48/54/570084854.db2.gz YVHUNCUQYNKDIT-HYARGMPZSA-N 0 0 462.527 5.332 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccccc1 ZINC000408955653 570084872 /nfs/dbraw/zinc/08/48/72/570084872.db2.gz YASFFGQBVKSXGV-IUUVDYQKSA-N 0 0 470.186 5.819 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)S2)cc1 ZINC000408955733 570084877 /nfs/dbraw/zinc/08/48/77/570084877.db2.gz YVCYPKPUZSJUAJ-FYJGNVAPSA-N 0 0 486.424 6.691 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408955719 570084890 /nfs/dbraw/zinc/08/48/90/570084890.db2.gz YSTOJJFIAZJMTL-YRPBSLEHSA-N 0 0 479.605 6.333 40 30 JKEBRN CCCCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccccc1 ZINC000408956051 570084978 /nfs/dbraw/zinc/08/49/78/570084978.db2.gz ZRGQOIMRAJZBSU-HXBSJJRASA-N 0 0 484.213 6.209 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(CC)C2=O)c1C ZINC000408959598 570085291 /nfs/dbraw/zinc/08/52/91/570085291.db2.gz BSPFDCJWTGNWOC-NWEZUEQQSA-N 0 0 478.061 7.242 40 30 JKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)c1 ZINC000408959927 570085351 /nfs/dbraw/zinc/08/53/51/570085351.db2.gz AQOMZLVHNJNNBC-OEAKJJBVSA-N 0 0 475.570 5.089 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Br)cc2)N(C)C1=O ZINC000408959827 570085381 /nfs/dbraw/zinc/08/53/81/570085381.db2.gz GKWQGYJDTYKODH-OMSSWJLUSA-N 0 0 456.409 5.592 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408959898 570085438 /nfs/dbraw/zinc/08/54/38/570085438.db2.gz HTZAMDCUYHEWEX-QWKKMKHHSA-N 0 0 470.436 6.063 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(Cl)c3)S2)cc1 ZINC000408960126 570085474 /nfs/dbraw/zinc/08/54/74/570085474.db2.gz CBSVPIMXEDPMMD-LPYMAVHISA-N 0 0 483.420 7.081 40 30 JKEBRN CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408960345 570085600 /nfs/dbraw/zinc/08/56/00/570085600.db2.gz FDGUUONTBAEEBD-OQLLNIDSSA-N 0 0 457.766 5.946 40 30 JKEBRN CCOc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408960370 570085691 /nfs/dbraw/zinc/08/56/91/570085691.db2.gz FGVHJRWPNYVJPB-OQLLNIDSSA-N 0 0 472.191 6.046 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408960743 570085748 /nfs/dbraw/zinc/08/57/48/570085748.db2.gz IJPZJCUEBYXYDD-CNHKJKLMSA-N 0 0 478.288 6.192 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(I)cc2C)c1C ZINC000408960661 570085789 /nfs/dbraw/zinc/08/57/89/570085789.db2.gz NNFUPWPGCYDOQD-QFEZKATASA-N 0 0 456.371 6.629 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000408960965 570085855 /nfs/dbraw/zinc/08/58/55/570085855.db2.gz KKDVFRZJCCWGOV-WGOQTCKBSA-N 0 0 484.552 6.458 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)cc2)cc1 ZINC000408961578 570086143 /nfs/dbraw/zinc/08/61/43/570086143.db2.gz NLUBWDZFEDGYBP-HYARGMPZSA-N 0 0 461.518 5.043 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)SC1=Nc1ccccc1 ZINC000408961694 570086171 /nfs/dbraw/zinc/08/61/71/570086171.db2.gz URBANUIHVJTNMD-FZFZTRJPSA-N 0 0 457.643 6.979 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408961570 570086179 /nfs/dbraw/zinc/08/61/79/570086179.db2.gz NJBPIDBYGPIDRQ-BUVRLJJBSA-N 0 0 462.546 6.003 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)S2)cc1 ZINC000408961858 570086297 /nfs/dbraw/zinc/08/62/97/570086297.db2.gz OSENFTJYQCSEHP-HYARGMPZSA-N 0 0 479.399 6.228 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000408962073 570086314 /nfs/dbraw/zinc/08/63/14/570086314.db2.gz PNUXPVFTPUYRIV-LPYMAVHISA-N 0 0 499.419 6.781 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2CC)cc1 ZINC000408962665 570086460 /nfs/dbraw/zinc/08/64/60/570086460.db2.gz ZVOVGAKCGKNCCF-MMKHHPBPSA-N 0 0 460.603 5.566 40 30 JKEBRN CCCCN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=Nc1ccccc1 ZINC000408963029 570086610 /nfs/dbraw/zinc/08/66/10/570086610.db2.gz LOYOXQOPUROOIH-FNUYTPMSSA-N 0 0 478.355 5.401 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)S2)cc1 ZINC000408963217 570086633 /nfs/dbraw/zinc/08/66/33/570086633.db2.gz XYWLHRKRMYVYBC-HYARGMPZSA-N 0 0 461.518 5.043 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)S2)cc1 ZINC000408963257 570086667 /nfs/dbraw/zinc/08/66/67/570086667.db2.gz BDFZFHGCLVBITJ-ZVHZXABRSA-N 0 0 484.556 5.619 40 30 JKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408963612 570086739 /nfs/dbraw/zinc/08/67/39/570086739.db2.gz CTUBPNPFSFRUNM-CPNJWEJPSA-N 0 0 460.397 5.196 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C ZINC000408963494 570086743 /nfs/dbraw/zinc/08/67/43/570086743.db2.gz ZSZSGWYLYNXJCG-SRZZPIQSSA-N 0 0 466.494 5.042 40 30 JKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC ZINC000408963419 570086745 /nfs/dbraw/zinc/08/67/45/570086745.db2.gz BROKBUAVSDTXRT-VUTHCHCSSA-N 0 0 476.642 7.207 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccccc1F ZINC000408963469 570086766 /nfs/dbraw/zinc/08/67/66/570086766.db2.gz BULOZLVUYQDBRM-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408963498 570086773 /nfs/dbraw/zinc/08/67/73/570086773.db2.gz ZTHFKHOUWAOGDF-MFKUBSTISA-N 0 0 499.523 6.358 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(I)c(C)c3)c2C)c1 ZINC000408963783 570086825 /nfs/dbraw/zinc/08/68/25/570086825.db2.gz ATDPETQRJDQGCC-QFEZKATASA-N 0 0 486.353 5.934 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408963813 570086861 /nfs/dbraw/zinc/08/68/61/570086861.db2.gz AFEIFUOZRGXWQI-XKZIYDEJSA-N 0 0 493.419 6.841 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)S2)cc1 ZINC000408965362 570087210 /nfs/dbraw/zinc/08/72/10/570087210.db2.gz KQLKPANOBXFUEU-OEAKJJBVSA-N 0 0 495.000 6.136 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)S2)cc1 ZINC000408965348 570087211 /nfs/dbraw/zinc/08/72/11/570087211.db2.gz KMNFSDSGPSEOBB-LPYMAVHISA-N 0 0 495.963 5.697 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c1 ZINC000408965472 570087225 /nfs/dbraw/zinc/08/72/25/570087225.db2.gz HPMQLVNVOGLYIV-UCQKPKSFSA-N 0 0 494.016 6.124 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408965188 570087268 /nfs/dbraw/zinc/08/72/68/570087268.db2.gz UKRMBSUVNDGHBD-WSDLNYQXSA-N 0 0 462.531 5.211 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)S2)cc1 ZINC000408965312 570087269 /nfs/dbraw/zinc/08/72/69/570087269.db2.gz KBIXXTPNQUVKGR-LPYMAVHISA-N 0 0 496.430 6.065 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408965694 570087351 /nfs/dbraw/zinc/08/73/51/570087351.db2.gz LOFDBWIETOLUSA-DEDYPNTBSA-N 0 0 453.350 6.050 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408965718 570087358 /nfs/dbraw/zinc/08/73/58/570087358.db2.gz XIPOZYRKNKYKLU-ZVHZXABRSA-N 0 0 475.976 6.682 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000408965698 570087368 /nfs/dbraw/zinc/08/73/68/570087368.db2.gz LOKWYBRZDNKDMK-BUVRLJJBSA-N 0 0 462.546 6.003 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)S2)cc1 ZINC000408965708 570087393 /nfs/dbraw/zinc/08/73/93/570087393.db2.gz LPNBGGGTPVTMHA-CIAFOILYSA-N 0 0 487.383 6.912 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c1C ZINC000408965772 570087395 /nfs/dbraw/zinc/08/73/95/570087395.db2.gz IMAJAZLXLXHUPF-PROUQTRWSA-N 0 0 492.648 6.856 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)S2)cc1 ZINC000408966219 570087534 /nfs/dbraw/zinc/08/75/34/570087534.db2.gz NURMMKMIDDNVDE-YZSQISJMSA-N 0 0 450.563 6.619 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408966057 570087550 /nfs/dbraw/zinc/08/75/50/570087550.db2.gz MOLUMTHEQSKPBV-LPYMAVHISA-N 0 0 482.964 6.267 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408966471 570087604 /nfs/dbraw/zinc/08/76/04/570087604.db2.gz OQVQIOSGXDMOHB-OEAKJJBVSA-N 0 0 496.991 6.657 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 ZINC000408966561 570087637 /nfs/dbraw/zinc/08/76/37/570087637.db2.gz MDSWNHXSZDAGBY-RDRPBHBLSA-N 0 0 499.592 7.081 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Br)c3)S2)cc1 ZINC000408966488 570087644 /nfs/dbraw/zinc/08/76/44/570087644.db2.gz OSTLTAYXNAAYMQ-OEAKJJBVSA-N 0 0 493.426 6.537 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408966511 570087662 /nfs/dbraw/zinc/08/76/62/570087662.db2.gz OXIMSMNSRGTGFG-UDWIEESQSA-N 0 0 489.811 7.117 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)N(C)C3=O)c2C)c1 ZINC000408966750 570087735 /nfs/dbraw/zinc/08/77/35/570087735.db2.gz NXCTVSCJOCPPDY-CLHPWSKPSA-N 0 0 489.597 5.513 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)S2)cc1 ZINC000408966766 570087736 /nfs/dbraw/zinc/08/77/36/570087736.db2.gz QIABBINDDACNTN-YZSQISJMSA-N 0 0 450.563 6.619 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)c1C ZINC000408966947 570087755 /nfs/dbraw/zinc/08/77/55/570087755.db2.gz OEGCGBDUKOBMGW-ZHWKOZAQSA-N 0 0 466.610 6.439 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000408966783 570087773 /nfs/dbraw/zinc/08/77/73/570087773.db2.gz QIOPIMXDEXHWDB-MTDXEUNCSA-N 0 0 493.632 6.873 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408967181 570087849 /nfs/dbraw/zinc/08/78/49/570087849.db2.gz TWEUGBKOKAMYTN-YBFXNURJSA-N 0 0 477.380 5.147 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(C)c4)N(C)C3=O)c2C)c1 ZINC000408967170 570087863 /nfs/dbraw/zinc/08/78/63/570087863.db2.gz QFURVBIDHFJRIE-CJUPBPKFSA-N 0 0 487.625 6.121 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1OC(C)C ZINC000408967168 570087870 /nfs/dbraw/zinc/08/78/70/570087870.db2.gz SXJKQCNUGRDHAA-WOJGMQOQSA-N 0 0 479.371 5.666 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408967310 570087871 /nfs/dbraw/zinc/08/78/71/570087871.db2.gz UUGAEEJOGMJPLN-WSDLNYQXSA-N 0 0 496.394 7.027 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408967136 570087880 /nfs/dbraw/zinc/08/78/80/570087880.db2.gz SMCNSXFTWMRNKS-OVVQPSECSA-N 0 0 498.648 6.901 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1C ZINC000408967246 570087906 /nfs/dbraw/zinc/08/79/06/570087906.db2.gz PMIKBZNNWNDMET-JHMMSTOMSA-N 0 0 491.660 7.461 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000408967107 570087919 /nfs/dbraw/zinc/08/79/19/570087919.db2.gz SGRPWKVBYRECOW-OQLLNIDSSA-N 0 0 472.180 6.204 40 30 JKEBRN Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1 ZINC000408967602 570088003 /nfs/dbraw/zinc/08/80/03/570088003.db2.gz WAXWUKGKZSBFMD-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)c1C ZINC000408967529 570088033 /nfs/dbraw/zinc/08/80/33/570088033.db2.gz QSDZAYOYLCTGDC-CLHPWSKPSA-N 0 0 473.598 5.677 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccccc1 ZINC000408967948 570088095 /nfs/dbraw/zinc/08/80/95/570088095.db2.gz SXQDQGNAZSSIGZ-HHDGGSFGSA-N 0 0 457.643 7.016 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4cccc5ccccc54)c4ccccc34)S2)cc1 ZINC000408968197 570088116 /nfs/dbraw/zinc/08/81/16/570088116.db2.gz ZYJUSBMRJZTXIF-OGLMXYFKSA-N 0 0 489.600 6.743 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(F)cc4)N(C)C3=O)c2C)c1 ZINC000408968156 570088130 /nfs/dbraw/zinc/08/81/30/570088130.db2.gz WTPYWGZXPYGIEN-KAJIUBQISA-N 0 0 477.561 5.644 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)N2C)cc1 ZINC000408968380 570088217 /nfs/dbraw/zinc/08/82/17/570088217.db2.gz WEGMFVVFNYCCMO-CIYPEPIYSA-N 0 0 487.669 7.024 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)SC1=Nc1ccccc1 ZINC000408968606 570088251 /nfs/dbraw/zinc/08/82/51/570088251.db2.gz XVQARENJBLGNKU-NMSBTPMHSA-N 0 0 473.642 6.297 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CCOC)C2=O)c1C ZINC000408968259 570088267 /nfs/dbraw/zinc/08/82/67/570088267.db2.gz VANRVZGIKDUVCG-GGNNGZDKSA-N 0 0 489.641 5.916 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCCCC2 ZINC000408969091 570088354 /nfs/dbraw/zinc/08/83/54/570088354.db2.gz HDGJTIUAWIIHPU-RUMWWMSVSA-N 0 0 494.660 7.989 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C ZINC000408968772 570088401 /nfs/dbraw/zinc/08/84/01/570088401.db2.gz YYUWMWDKPMPZQW-BKUYFWCQSA-N 0 0 470.425 6.855 40 30 JKEBRN COC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408969897 570088494 /nfs/dbraw/zinc/08/84/94/570088494.db2.gz WNIHUCONTLDBAE-OGLMXYFKSA-N 0 0 476.598 5.962 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408970367 570088592 /nfs/dbraw/zinc/08/85/92/570088592.db2.gz GTVYPWSLVVCFBK-JVWAILMASA-N 0 0 497.458 7.181 40 30 JKEBRN C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OC)c1O ZINC000408970175 570088601 /nfs/dbraw/zinc/08/86/01/570088601.db2.gz CCSOISVUCFWCQS-RDRPBHBLSA-N 0 0 474.626 6.853 40 30 JKEBRN COc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408970151 570088603 /nfs/dbraw/zinc/08/86/03/570088603.db2.gz BRVRFXFHKRJMLK-JVWAILMASA-N 0 0 453.007 7.072 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1 ZINC000408970845 570088734 /nfs/dbraw/zinc/08/87/34/570088734.db2.gz LDYKWUJPAZWEFT-RWPZCVJISA-N 0 0 496.032 7.588 40 30 JKEBRN CSc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1 ZINC000408971107 570088748 /nfs/dbraw/zinc/08/87/48/570088748.db2.gz MDQRGULKGFGWOI-OGLMXYFKSA-N 0 0 462.684 7.749 40 30 JKEBRN COc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000408971635 570088861 /nfs/dbraw/zinc/08/88/61/570088861.db2.gz KOZKSMGCEJUWGN-ODCIPOBUSA-N 0 0 457.180 6.334 40 30 JKEBRN CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cccc1OC ZINC000408972642 570089045 /nfs/dbraw/zinc/08/90/45/570089045.db2.gz UCAKIPRSVRWKCA-VUTHCHCSSA-N 0 0 476.642 7.207 40 30 JKEBRN Cc1ccc(-c2nc(N=NC=CCc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408973527 570089235 /nfs/dbraw/zinc/08/92/35/570089235.db2.gz BJBVWXBLEPLDES-ZAHGHWQKSA-N 0 0 454.555 7.113 40 30 JKEBRN COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1 ZINC000408974262 570089325 /nfs/dbraw/zinc/08/93/25/570089325.db2.gz YCDUXFKPLCBPLW-UHFFFAOYSA-N 0 0 486.608 6.674 40 30 JKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408974162 570089328 /nfs/dbraw/zinc/08/93/28/570089328.db2.gz CXNNHHUITAOFTJ-CVKSISIWSA-N 0 0 458.543 6.457 40 30 JKEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(C)C ZINC000408974171 570089334 /nfs/dbraw/zinc/08/93/34/570089334.db2.gz CYXQRXUZRFHLJL-UHFFFAOYSA-N 0 0 452.591 6.130 40 30 JKEBRN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408974599 570089427 /nfs/dbraw/zinc/08/94/27/570089427.db2.gz BVDZWLYAXAKIJU-MTDXEUNCSA-N 0 0 485.613 6.986 40 30 JKEBRN Fc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)cc4)o3)nc(N3CCCCC3)n2)cc1 ZINC000408974730 570089434 /nfs/dbraw/zinc/08/94/34/570089434.db2.gz CRPQOFGTDYDVBN-LQKURTRISA-N 0 0 475.503 5.590 40 30 JKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3C)o2)C(=O)N1c1ccccc1 ZINC000408974821 570089447 /nfs/dbraw/zinc/08/94/47/570089447.db2.gz FCVTZYIUVZAROJ-DWOPZNCISA-N 0 0 499.035 8.334 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc4c(c3)OCO4)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408975204 570089549 /nfs/dbraw/zinc/08/95/49/570089549.db2.gz KIJPWTWLZOJTPM-LGJNPRDNSA-N 0 0 472.526 6.177 40 30 JKEBRN Cc1ccc(-c2nc(N=NC(C)c3ccc(-c4ccccc4)cc3)sc2-c2ccccc2)cc1C ZINC000408975095 570089563 /nfs/dbraw/zinc/08/95/63/570089563.db2.gz KADCMPVLFPFICM-GZZLJNBRSA-N 0 0 473.645 8.597 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408975198 570089584 /nfs/dbraw/zinc/08/95/84/570089584.db2.gz IZZZTVNQHUABPV-UHFFFAOYSA-N 0 0 485.407 7.654 40 30 JKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000408975625 570089671 /nfs/dbraw/zinc/08/96/71/570089671.db2.gz BKECJJZXPKYWEE-BOPFTXTBSA-N 0 0 474.340 5.444 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408975284 570089672 /nfs/dbraw/zinc/08/96/72/570089672.db2.gz AAFLZLJICZFLRT-MAHFEZJCSA-N 0 0 456.567 6.458 40 30 JKEBRN Cc1ccsc1CN=Nc1nc(Nc2ccc(C)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000408975517 570089687 /nfs/dbraw/zinc/08/96/87/570089687.db2.gz LJJLSFMTDQRYRB-VUTHCHCSSA-N 0 0 497.672 6.199 40 30 JKEBRN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)c(C)c1 ZINC000408975543 570089697 /nfs/dbraw/zinc/08/96/97/570089697.db2.gz MSPKFAKEKQWJJN-OTDFFUQNSA-N 0 0 482.583 6.257 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1C ZINC000408975801 570089794 /nfs/dbraw/zinc/08/97/94/570089794.db2.gz NTLIJSKABZEAIN-TWJQNCOXSA-N 0 0 482.583 6.257 40 30 JKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2cn(Cc3ccccc3F)c3ccccc23)ccc1O ZINC000408976269 570089915 /nfs/dbraw/zinc/08/99/15/570089915.db2.gz QFQVFSUGMAKZOT-VTNSRFBWSA-N 0 0 490.538 6.608 40 30 JKEBRN COc1ccc(/C=N/c2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2C#N)cc1 ZINC000408976184 570089917 /nfs/dbraw/zinc/08/99/17/570089917.db2.gz QCMRXGMZHXSEEI-QNKGDIEWSA-N 0 0 454.529 7.911 40 30 JKEBRN COc1ccc(C(C)N=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1OC ZINC000408976140 570089944 /nfs/dbraw/zinc/08/99/44/570089944.db2.gz POBPYOIECPQYKK-VUTHCHCSSA-N 0 0 457.599 6.947 40 30 JKEBRN Cc1nc(N)c(C#N)c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c1-c1ccccc1 ZINC000408976603 570090055 /nfs/dbraw/zinc/09/00/55/570090055.db2.gz BCCMLNYSVPFGST-UHFFFAOYSA-N 0 0 486.531 6.818 40 30 JKEBRN COc1c(Br)cc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1Br ZINC000408977006 570090117 /nfs/dbraw/zinc/09/01/17/570090117.db2.gz CALKLAGYTFEZBV-UHFFFAOYSA-N 0 0 459.141 5.403 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OCc1ccccc1 ZINC000408977428 570090181 /nfs/dbraw/zinc/09/01/81/570090181.db2.gz IXHWUFVBMLXIAP-ZCTHSVRISA-N 0 0 482.649 8.196 40 30 JKEBRN Fc1c(F)c(F)c(N=NCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(F)c1F ZINC000408977658 570090235 /nfs/dbraw/zinc/09/02/35/570090235.db2.gz XCDDNKVFLPCQLE-BEJOPBHTSA-N 0 0 484.255 7.138 40 30 JKEBRN CCOC(=O)Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408977927 570090287 /nfs/dbraw/zinc/09/02/87/570090287.db2.gz ZPPRJPKKBXUVPE-PMERELPUSA-N 0 0 478.592 6.667 40 30 JKEBRN CCOC(=O)Cn1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408977928 570090355 /nfs/dbraw/zinc/09/03/55/570090355.db2.gz ZPPRJPKKBXUVPE-SSEXGKCCSA-N 0 0 478.592 6.667 40 30 JKEBRN N#Cc1c2c(sc1/N=C/c1cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc13)CCCC2 ZINC000408978020 570090382 /nfs/dbraw/zinc/09/03/82/570090382.db2.gz XRHRYDWMTZBSEF-VFLNYLIXSA-N 0 0 464.421 7.559 40 30 JKEBRN COc1ccc(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2OC)cc1 ZINC000408978756 570090434 /nfs/dbraw/zinc/09/04/34/570090434.db2.gz JURVYROLOLUYQC-UHFFFAOYSA-N 0 0 451.526 5.774 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408978916 570090476 /nfs/dbraw/zinc/09/04/76/570090476.db2.gz OPANRNLNHZAODB-ZPBMXBNWSA-N 0 0 454.639 7.852 40 30 JKEBRN N#Cc1c(N)nc2c(c1-c1c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc31)CCCC2 ZINC000408979131 570090515 /nfs/dbraw/zinc/09/05/15/570090515.db2.gz LMWLAYWLXCYOCV-UHFFFAOYSA-N 0 0 450.498 5.722 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c([N+](=O)[O-])cc1OC ZINC000408979201 570090538 /nfs/dbraw/zinc/09/05/38/570090538.db2.gz PYDVRRTUOAIAJD-AFUMVMLFSA-N 0 0 451.548 6.534 40 30 JKEBRN Cc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(C)n1-c1ccc(C)cc1 ZINC000408980097 570090633 /nfs/dbraw/zinc/09/06/33/570090633.db2.gz USEOYDYBGAACDL-UXHLAJHPSA-N 0 0 453.655 8.324 40 30 JKEBRN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408980291 570090743 /nfs/dbraw/zinc/09/07/43/570090743.db2.gz FJCCNYIAQYCUBJ-UXHLAJHPSA-N 0 0 477.391 7.753 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)n1-c1ccc(C)c(C)c1 ZINC000408980157 570090752 /nfs/dbraw/zinc/09/07/52/570090752.db2.gz DXHDDJZKMYVFEO-WCMJOSRZSA-N 0 0 485.653 6.925 40 30 JKEBRN CCCCCCCCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408980769 570090861 /nfs/dbraw/zinc/09/08/61/570090861.db2.gz XHABMRKESYELRN-UHFFFAOYSA-N 0 0 454.578 6.236 40 30 JKEBRN CC(C)(C)c1ccc(C(=O)Oc2cccc(CN=Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000408983228 570091343 /nfs/dbraw/zinc/09/13/43/570091343.db2.gz GLJJZNJPAKBUFQ-OGLMXYFKSA-N 0 0 455.583 6.773 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccc(C)cc2)ccc1OCc1c(C)cc(C)cc1C ZINC000408983841 570091648 /nfs/dbraw/zinc/09/16/48/570091648.db2.gz DLYBIDVPWYMNDQ-UHFFFAOYSA-N 0 0 463.581 6.691 40 30 JKEBRN CC(C)(C)c1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc(C(C)(C)C)c1O ZINC000408984490 570091860 /nfs/dbraw/zinc/09/18/60/570091860.db2.gz HRECRRAKBGFEGD-NGZBNDINSA-N 0 0 476.686 7.534 40 30 JKEBRN COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C#N)cc4)C3=O)o2)cc1 ZINC000408985064 570092002 /nfs/dbraw/zinc/09/20/02/570092002.db2.gz LETSOOVKNWFWKP-JJIBRWJFSA-N 0 0 472.500 6.076 40 30 JKEBRN COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000408985626 570092119 /nfs/dbraw/zinc/09/21/19/570092119.db2.gz OBGBOUJSJFNFNB-UHFFFAOYSA-N 0 0 493.910 5.361 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1[N+](=O)[O-] ZINC000408987372 570092840 /nfs/dbraw/zinc/09/28/40/570092840.db2.gz WYCLCJUKJXFUHJ-NDENLUEZSA-N 0 0 467.591 6.095 40 30 JKEBRN O=C(NC1CCCCC1)c1c(/N=C/c2ccc(Br)s2)sc2c1CCCC2 ZINC000408987622 570092952 /nfs/dbraw/zinc/09/29/52/570092952.db2.gz QRWRXRHVCDKLMO-WSDLNYQXSA-N 0 0 451.455 6.264 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)cc1C ZINC000408987621 570093029 /nfs/dbraw/zinc/09/30/29/570093029.db2.gz BKXXCFBJKANIPM-MOSHPQCFSA-N 0 0 462.556 5.649 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408988357 570093146 /nfs/dbraw/zinc/09/31/46/570093146.db2.gz HSCYUUQTCLEAIQ-YSMPRRRNSA-N 0 0 472.610 6.399 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000408988724 570093251 /nfs/dbraw/zinc/09/32/51/570093251.db2.gz FSBUZSJSYRMCQX-BOPFTXTBSA-N 0 0 480.552 5.840 40 30 JKEBRN O=C1NC(=Nc2cccc3ccccc32)S/C1=C\c1ccc(Sc2cccc3cccnc32)o1 ZINC000408989093 570093339 /nfs/dbraw/zinc/09/33/39/570093339.db2.gz GXGJFVBCLHGREX-KQWNVCNZSA-N 0 0 479.586 7.024 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)n2)cc1 ZINC000408989683 570093525 /nfs/dbraw/zinc/09/35/25/570093525.db2.gz VBZGAGPVBFULRE-MFKUBSTISA-N 0 0 463.584 5.641 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)c1 ZINC000408990226 570093806 /nfs/dbraw/zinc/09/38/06/570093806.db2.gz JZHIZXWMDDUIDP-MOSHPQCFSA-N 0 0 462.556 5.649 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408990920 570094018 /nfs/dbraw/zinc/09/40/18/570094018.db2.gz OZBATJMGFJVTPM-MYYYXRDXSA-N 0 0 458.583 6.091 40 30 JKEBRN O=C1/C(=C/c2ccc(Sc3ccccn3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408992299 570094397 /nfs/dbraw/zinc/09/43/97/570094397.db2.gz RLUWDCRHMDXZHM-XACXCUCSSA-N 0 0 455.564 6.634 40 30 JKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)S1 ZINC000408992419 570094467 /nfs/dbraw/zinc/09/44/67/570094467.db2.gz RTLKEWPVQOCKJV-WQRHYEAKSA-N 0 0 494.579 6.149 40 30 JKEBRN Ic1ccc(COc2ccc(C=NNc3ccc4ccccc4n3)cc2)cc1 ZINC000408992661 570094593 /nfs/dbraw/zinc/09/45/93/570094593.db2.gz ATZBNVAWTTYQTP-MFKUBSTISA-N 0 0 479.321 5.864 40 30 JKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c3ccccc32)c1 ZINC000408992789 570094650 /nfs/dbraw/zinc/09/46/50/570094650.db2.gz BYYSNIYKMVPGDG-OYKKKHCWSA-N 0 0 457.986 6.543 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)cc1[N+](=O)[O-] 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CCOC(=O)c1ccc(COc2c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cccc2OC)cc1 ZINC000409029575 570105595 /nfs/dbraw/zinc/10/55/95/570105595.db2.gz AVEQVMGIMKUTPS-VPUKRXIYSA-N 0 0 496.379 5.165 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCC(F)(F)F ZINC000409029760 570105606 /nfs/dbraw/zinc/10/56/06/570105606.db2.gz AZFKROKCOCUUIX-YHYXMXQVSA-N 0 0 484.730 5.783 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OCC#N)ccc2ccccc21 ZINC000409029524 570105632 /nfs/dbraw/zinc/10/56/32/570105632.db2.gz AOPILRGNAKTAQJ-UVTDQMKNSA-N 0 0 457.358 5.244 40 30 JKEBRN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCc1ccccc1 ZINC000254483937 570105719 /nfs/dbraw/zinc/10/57/19/570105719.db2.gz WPQKMAWYKDSBAX-YBFDEKKHSA-N 0 0 462.630 5.880 40 30 JKEBRN CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)SC1=S ZINC000409031658 570105902 /nfs/dbraw/zinc/10/59/02/570105902.db2.gz JWYVOVAQKXDPEN-JMIUGGIZSA-N 0 0 487.444 5.757 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409032168 570105953 /nfs/dbraw/zinc/10/59/53/570105953.db2.gz LBJYRMRIPWPWQW-ZHSUKTGHSA-N 0 0 494.410 7.286 40 30 JKEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(Br)c1OC(C)C ZINC000409033715 570106106 /nfs/dbraw/zinc/10/61/06/570106106.db2.gz OZYHNLUTXDDASM-HCBMXOAHSA-N 0 0 469.195 5.349 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409033307 570106139 /nfs/dbraw/zinc/10/61/39/570106139.db2.gz KYOQTODFIVJBGF-NCAUGAEKSA-N 0 0 483.340 5.286 40 30 JKEBRN Cc1[nH]c2c(cccc2C)c1/C=C1/C(=O)N(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)N=C1C ZINC000409033268 570106181 /nfs/dbraw/zinc/10/61/81/570106181.db2.gz KNRMXWBVRVCMEL-NTUHNPAUSA-N 0 0 469.360 6.166 40 30 JKEBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c2n1C ZINC000409034542 570106330 /nfs/dbraw/zinc/10/63/30/570106330.db2.gz OEAAJBKVSBMHCM-LDADJPATSA-N 0 0 497.414 6.414 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1Cl ZINC000409035139 570106440 /nfs/dbraw/zinc/10/64/40/570106440.db2.gz IVUWHMDCDIPWIE-XFRWXITDSA-N 0 0 492.962 6.135 40 30 JKEBRN O=C1CCCC2=C1C(c1cc(Br)ccc1O)C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409036136 570106570 /nfs/dbraw/zinc/10/65/70/570106570.db2.gz KXQRUTGOAVNYGL-UHFFFAOYSA-N 0 0 492.413 5.811 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)cc1 ZINC000409035704 570106613 /nfs/dbraw/zinc/10/66/13/570106613.db2.gz TYEYURDSICQMHX-VCHYOVAHSA-N 0 0 483.396 5.639 40 30 JKEBRN N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409035707 570106618 /nfs/dbraw/zinc/10/66/18/570106618.db2.gz QLRLLCXOIGAZKP-KLPHOBTLSA-N 0 0 469.360 6.004 40 30 JKEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409037401 570106818 /nfs/dbraw/zinc/10/68/18/570106818.db2.gz CFBGBRTXFQVYTQ-WDZFZDKYSA-N 0 0 477.216 6.060 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br 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JKEBRN C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)C1=O ZINC000409102272 570128816 /nfs/dbraw/zinc/12/88/16/570128816.db2.gz RLCOFGRIHHNJCK-CIAFOILYSA-N 0 0 488.403 5.958 40 30 JKEBRN C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccccc1 ZINC000409103479 570129179 /nfs/dbraw/zinc/12/91/79/570129179.db2.gz HEXPLZCQCRTYGL-FJEPWZHXSA-N 0 0 455.480 6.253 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000409103423 570129192 /nfs/dbraw/zinc/12/91/92/570129192.db2.gz BJXCDQWTMAPMCM-GATIEOLUSA-N 0 0 481.272 6.230 40 30 JKEBRN COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409103388 570129197 /nfs/dbraw/zinc/12/91/97/570129197.db2.gz YFKLJNPFMXLCEU-WGOQTCKBSA-N 0 0 481.961 5.361 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O ZINC000409103583 570129358 /nfs/dbraw/zinc/12/93/58/570129358.db2.gz DLAKIZIJLKRHKT-BUVRLJJBSA-N 0 0 479.001 6.549 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409103721 570129368 /nfs/dbraw/zinc/12/93/68/570129368.db2.gz FGRAMXOEDVWCLS-NSKAYECMSA-N 0 0 495.255 5.796 40 30 JKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000409104005 570129484 /nfs/dbraw/zinc/12/94/84/570129484.db2.gz YBHOLSVFAPUTHG-KKMKTNMSSA-N 0 0 463.387 5.786 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000409104027 570129502 /nfs/dbraw/zinc/12/95/02/570129502.db2.gz YFNVNIAZAORTOO-YBFXNURJSA-N 0 0 498.815 6.847 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409104590 570129610 /nfs/dbraw/zinc/12/96/10/570129610.db2.gz FXYGBCSOILUAMC-RWPZCVJISA-N 0 0 458.484 6.810 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=Nc1ccccc1 ZINC000409104671 570129617 /nfs/dbraw/zinc/12/96/17/570129617.db2.gz DPAMXIMKUXDBLZ-CLFKIUQGSA-N 0 0 495.069 7.132 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409104834 570129777 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6.084 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409107623 570130861 /nfs/dbraw/zinc/13/08/61/570130861.db2.gz SEYDVNMWKAEGGH-IPBVOBEMSA-N 0 0 494.857 6.086 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)nc1 ZINC000409107948 570130944 /nfs/dbraw/zinc/13/09/44/570130944.db2.gz YRQMDLMYYMBPQM-HIUVJMHLSA-N 0 0 474.697 7.086 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC000409107832 570130956 /nfs/dbraw/zinc/13/09/56/570130956.db2.gz REZYHJDCFNXRNB-WSVATBPTSA-N 0 0 489.280 6.956 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409107854 570130993 /nfs/dbraw/zinc/13/09/93/570130993.db2.gz RLTNGXXFFSPQDP-SITPEIFSSA-N 0 0 499.560 5.130 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\Sc2ccccc2NC1=O ZINC000409108259 570131104 /nfs/dbraw/zinc/13/11/04/570131104.db2.gz SXWAXJATGQFGPB-UUYOSTAYSA-N 0 0 463.356 5.985 40 30 JKEBRN C=CCc1cc(/C=C2/Sc3ccccc3NC2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409108701 570131231 /nfs/dbraw/zinc/13/12/31/570131231.db2.gz YSRRONIJXJENCH-PCLIKHOPSA-N 0 0 478.013 7.132 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Cl)c1 ZINC000409108530 570131258 /nfs/dbraw/zinc/13/12/58/570131258.db2.gz UYMOIEKGKYFONA-IPBVOBEMSA-N 0 0 498.288 7.254 40 30 JKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409109431 570131457 /nfs/dbraw/zinc/13/14/57/570131457.db2.gz DSUCYUWEUOBQHP-UHFFFAOYSA-N 0 0 486.033 6.464 40 30 JKEBRN CC(=O)Nc1ccccc1Sc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000409109664 570131616 /nfs/dbraw/zinc/13/16/16/570131616.db2.gz IXOYJJLQYZTFSC-VULFUBBASA-N 0 0 476.583 6.267 40 30 JKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409110060 570131828 /nfs/dbraw/zinc/13/18/28/570131828.db2.gz QMOTWHLZJWPYSN-UHFFFAOYSA-N 0 0 456.413 7.484 40 30 JKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409110118 570131833 /nfs/dbraw/zinc/13/18/33/570131833.db2.gz ROVZEBMYSUXWGL-UHFFFAOYSA-N 0 0 465.615 6.064 40 30 JKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OCc1ccccc1Cl ZINC000409110198 570131972 /nfs/dbraw/zinc/13/19/72/570131972.db2.gz UEGMPJRNPXFWRJ-UHFFFAOYSA-N 0 0 486.011 8.061 40 30 JKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409110955 570132214 /nfs/dbraw/zinc/13/22/14/570132214.db2.gz AYCJUAVLAIPUJT-UHFFFAOYSA-N 0 0 470.440 7.929 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OCC ZINC000409111321 570132282 /nfs/dbraw/zinc/13/22/82/570132282.db2.gz HWXMZCPKMPDQAN-UNOMPAQXSA-N 0 0 454.364 5.403 40 30 JKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409111245 570132302 /nfs/dbraw/zinc/13/23/02/570132302.db2.gz BPEPYZVFFLTFTB-UHFFFAOYSA-N 0 0 453.582 7.167 40 30 JKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409111247 570132335 /nfs/dbraw/zinc/13/23/35/570132335.db2.gz BPWJCUGQCGCBBR-UHFFFAOYSA-N 0 0 472.006 6.155 40 30 JKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409111634 570132415 /nfs/dbraw/zinc/13/24/15/570132415.db2.gz DGIAHSCYVZBQOA-UHFFFAOYSA-N 0 0 465.615 6.119 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409111729 570132428 /nfs/dbraw/zinc/13/24/28/570132428.db2.gz BVOLQBQGFHAMGR-CIAFOILYSA-N 0 0 490.408 6.532 40 30 JKEBRN CN1c2ccc(Br)cc2/C(=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O ZINC000409112435 570132647 /nfs/dbraw/zinc/13/26/47/570132647.db2.gz CTAFEJOMWHZLBX-MEFGMAGPSA-N 0 0 494.414 5.739 40 30 JKEBRN CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409112367 570132662 /nfs/dbraw/zinc/13/26/62/570132662.db2.gz GBQATSYJTRGIGE-CFRMEGHHSA-N 0 0 486.999 6.733 40 30 JKEBRN CCN1c2ccccc2/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409112653 570132784 /nfs/dbraw/zinc/13/27/84/570132784.db2.gz FOJCDIBKJDYKPF-HMAPJEAMSA-N 0 0 459.343 5.807 40 30 JKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409113205 570133058 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IILWGWFYRWTPBN-UHFFFAOYSA-N 0 0 470.440 7.929 40 30 JKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409115664 570134008 /nfs/dbraw/zinc/13/40/08/570134008.db2.gz KHTKSESVMATCDK-UHFFFAOYSA-N 0 0 456.413 7.620 40 30 JKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409115951 570134026 /nfs/dbraw/zinc/13/40/26/570134026.db2.gz JYQONXQAFYXRJX-UHFFFAOYSA-N 0 0 451.588 5.810 40 30 JKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409116590 570134283 /nfs/dbraw/zinc/13/42/83/570134283.db2.gz VPFYLGFGQQKHTC-UHFFFAOYSA-N 0 0 456.413 7.538 40 30 JKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409116891 570134358 /nfs/dbraw/zinc/13/43/58/570134358.db2.gz MNOKNNBTACRXCI-UHFFFAOYSA-N 0 0 480.446 7.384 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1O[C@@H](C)CC ZINC000409117001 570134439 /nfs/dbraw/zinc/13/44/39/570134439.db2.gz MTOPALASDZNIAJ-LUKCILAXSA-N 0 0 460.294 5.885 40 30 JKEBRN 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CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC ZINC000409174584 570156240 /nfs/dbraw/zinc/15/62/40/570156240.db2.gz VBMDSKPZROJWQB-HXJASHHUSA-N 0 0 456.951 5.634 40 30 JKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C ZINC000409174489 570156256 /nfs/dbraw/zinc/15/62/56/570156256.db2.gz UQTUDUXGWBAQLW-FOKLQQMPSA-N 0 0 477.973 5.864 40 30 JKEBRN CC(C)n1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409174633 570156298 /nfs/dbraw/zinc/15/62/98/570156298.db2.gz VZAQSYFJQYUUEB-JEJOEQLISA-N 0 0 451.595 7.026 40 30 JKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C ZINC000409174934 570156406 /nfs/dbraw/zinc/15/64/06/570156406.db2.gz VXISFQPNGMKYSY-FOKLQQMPSA-N 0 0 488.525 5.119 40 30 JKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O ZINC000409175023 570156492 /nfs/dbraw/zinc/15/64/92/570156492.db2.gz YDRSUIOGFBLNRE-UDWIEESQSA-N 0 0 453.445 5.604 40 30 JKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 ZINC000409175361 570156578 /nfs/dbraw/zinc/15/65/78/570156578.db2.gz XXZSBJGNPJAGOR-WGOQTCKBSA-N 0 0 484.625 6.049 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N/c1ccc(C)c(C)c1 ZINC000409175438 570156613 /nfs/dbraw/zinc/15/66/13/570156613.db2.gz RLISNGLUWKZZAC-HRRUJZEASA-N 0 0 461.543 6.404 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409175764 570156816 /nfs/dbraw/zinc/15/68/16/570156816.db2.gz CHCGKDCUDUOQTQ-RQZCQDPDSA-N 0 0 484.799 6.212 40 30 JKEBRN C=CCOc1cccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)c1 ZINC000409177223 570157364 /nfs/dbraw/zinc/15/73/64/570157364.db2.gz DZKVCYDIAJFMCU-PMERELPUSA-N 0 0 460.577 6.926 40 30 JKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(OCc4cccc5ccccc54)c3)n2)c1 ZINC000409177528 570157594 /nfs/dbraw/zinc/15/75/94/570157594.db2.gz GSYMGIMEDRAIMH-LQKURTRISA-N 0 0 480.549 6.897 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccc(OCc4cccc5ccccc54)c3)n2)cc1 ZINC000409182482 570159819 /nfs/dbraw/zinc/15/98/19/570159819.db2.gz LQOVPAYJHDKYMQ-LQKURTRISA-N 0 0 480.549 6.897 40 30 JKEBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)cc1Cl ZINC000409182952 570160069 /nfs/dbraw/zinc/16/00/69/570160069.db2.gz PILYFGQRIYHTPS-SRZZPIQSSA-N 0 0 477.929 5.455 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3c(OCc4ccccc4F)ccc4ccccc43)n2)cc1 ZINC000409182976 570160071 /nfs/dbraw/zinc/16/00/71/570160071.db2.gz QBCHPXKQSQNCJK-OKCVXOCRSA-N 0 0 467.569 7.436 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2csc(N=NCc3c(OCc4ccccc4F)ccc4ccccc43)n2)cc1 ZINC000409183689 570160196 /nfs/dbraw/zinc/16/01/96/570160196.db2.gz UECIKTALVYWCSQ-WKULSOCRSA-N 0 0 498.539 7.036 40 30 JKEBRN O=C1CN(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N1/N=C/c1ccc(Cl)cc1Cl ZINC000409185543 570160571 /nfs/dbraw/zinc/16/05/71/570160571.db2.gz MHDRDGVSEHHAEF-RQDDCGEVSA-N 0 0 493.221 6.677 40 30 JKEBRN C=CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NC[C@H](CC)CCCC)S1(=O)=O ZINC000260846297 570160610 /nfs/dbraw/zinc/16/06/10/570160610.db2.gz KYJWIBSDSNULDV-LJQANCHMSA-N 0 0 487.065 5.768 40 30 JKEBRN CC(=O)c1cccc(N=Cc2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409186797 570160706 /nfs/dbraw/zinc/16/07/06/570160706.db2.gz HZIPMKJROIHHME-DHRITJCHSA-N 0 0 487.191 6.744 40 30 JKEBRN CC(C)OC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000409186813 570160726 /nfs/dbraw/zinc/16/07/26/570160726.db2.gz IENMHVQRKSCRMS-NVMNQCDNSA-N 0 0 465.358 5.215 40 30 JKEBRN CC(C)c1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409187870 570160978 /nfs/dbraw/zinc/16/09/78/570160978.db2.gz VIAUTDRDYQNWEM-VULFUBBASA-N 0 0 487.235 7.665 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1Cl ZINC000409187702 570160989 /nfs/dbraw/zinc/16/09/89/570160989.db2.gz TZQXWDLZVCHCHM-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000409187797 570161002 /nfs/dbraw/zinc/16/10/02/570161002.db2.gz UKQVJUQTLAMKMS-MTDXEUNCSA-N 0 0 471.582 7.303 40 30 JKEBRN Fc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409188454 570161059 /nfs/dbraw/zinc/16/10/59/570161059.db2.gz ZGOMISOVWZZBBM-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 ZINC000409188604 570161202 /nfs/dbraw/zinc/16/12/02/570161202.db2.gz FLAGRBPHHITHPP-VULFUBBASA-N 0 0 498.395 7.082 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000409189695 570161456 /nfs/dbraw/zinc/16/14/56/570161456.db2.gz NESSBHQMLGSROM-VULFUBBASA-N 0 0 498.395 7.082 40 30 JKEBRN Cc1ccc(N=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)cc1 ZINC000409189750 570161507 /nfs/dbraw/zinc/16/15/07/570161507.db2.gz SIFZZZVFTSLONB-BRJLIKDPSA-N 0 0 484.368 6.897 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)c(Cl)c4)NC3=O)c2C)cc1 ZINC000409190794 570161883 /nfs/dbraw/zinc/16/18/83/570161883.db2.gz WHEZHKTYXAATCN-UUYOSTAYSA-N 0 0 486.424 6.691 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)o1 ZINC000409191197 570161984 /nfs/dbraw/zinc/16/19/84/570161984.db2.gz DEZRYVLPUVSKQK-UHLYQKDGSA-N 0 0 486.593 6.670 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(OC)cc2)nnc1-c1cccc(Cl)c1 ZINC000409194126 570163002 /nfs/dbraw/zinc/16/30/02/570163002.db2.gz NDCFVTMTCFABPU-CVKSISIWSA-N 0 0 493.976 6.437 40 30 JKEBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)SC1=S ZINC000409195929 570163505 /nfs/dbraw/zinc/16/35/05/570163505.db2.gz SSJHESSXIDISBI-QFEZKATASA-N 0 0 482.634 5.825 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409198954 570164495 /nfs/dbraw/zinc/16/44/95/570164495.db2.gz ALJVPVRWMIRCJE-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1F ZINC000409199364 570164537 /nfs/dbraw/zinc/16/45/37/570164537.db2.gz CGTXIVQCQWRVJD-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1C ZINC000409199259 570164572 /nfs/dbraw/zinc/16/45/72/570164572.db2.gz AWDVJZIGMDBAHT-IPBVOBEMSA-N 0 0 483.273 8.080 40 30 JKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)cc1Cl ZINC000409199481 570164636 /nfs/dbraw/zinc/16/46/36/570164636.db2.gz DQVQWEPOGOXXQN-JFLMPSFJSA-N 0 0 470.377 6.973 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1C ZINC000409199423 570164638 /nfs/dbraw/zinc/16/46/38/570164638.db2.gz DBFAQUNPFZQIHT-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409199409 570164645 /nfs/dbraw/zinc/16/46/45/570164645.db2.gz CYNYLIQHKJPYHL-FDAWAROLSA-N 0 0 475.947 8.000 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409199462 570164669 /nfs/dbraw/zinc/16/46/69/570164669.db2.gz DMPVUJFQOYZMJL-IPPBACCNSA-N 0 0 485.411 7.085 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409199465 570164679 /nfs/dbraw/zinc/16/46/79/570164679.db2.gz DNCKQMRWIDHWCX-JYBCESJWSA-N 0 0 495.597 5.381 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409199754 570164736 /nfs/dbraw/zinc/16/47/36/570164736.db2.gz DFQRMKDAIOCJAY-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409199791 570164757 /nfs/dbraw/zinc/16/47/57/570164757.db2.gz DLRDZDBBDJQHBD-WYMPLXKRSA-N 0 0 455.854 6.325 40 30 JKEBRN CCCOc1ccc(Br)cc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409199867 570164769 /nfs/dbraw/zinc/16/47/69/570164769.db2.gz FHCDGFIOFVXOSJ-IMVGLAPISA-N 0 0 459.453 7.073 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409199895 570164774 /nfs/dbraw/zinc/16/47/74/570164774.db2.gz FNVPKDQFMUPLTI-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409199857 570164785 /nfs/dbraw/zinc/16/47/85/570164785.db2.gz FFTAIWKJHAPECI-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409199937 570164840 /nfs/dbraw/zinc/16/48/40/570164840.db2.gz FVNFEVBZAGXXFW-ZVHZXABRSA-N 0 0 473.310 5.638 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409200002 570164856 /nfs/dbraw/zinc/16/48/56/570164856.db2.gz GLKCJLWEVSDPBR-YZSQISJMSA-N 0 0 452.348 6.956 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1C(C)C ZINC000409200018 570164885 /nfs/dbraw/zinc/16/48/85/570164885.db2.gz FKCAPXHEMZLMBF-OTGHIUSUSA-N 0 0 468.362 6.251 40 30 JKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409200223 570164990 /nfs/dbraw/zinc/16/49/90/570164990.db2.gz HPSVDRBCADKBCU-ZPEKZKEPSA-N 0 0 466.050 6.741 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409200625 570165060 /nfs/dbraw/zinc/16/50/60/570165060.db2.gz IRCIAEIVDYCABI-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1cccc2ccccc21 ZINC000409200447 570165071 /nfs/dbraw/zinc/16/50/71/570165071.db2.gz IIDPDEXFGCSCMP-JVWAILMASA-N 0 0 493.344 6.783 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409200580 570165077 /nfs/dbraw/zinc/16/50/77/570165077.db2.gz IJCQCLFCQUDNNJ-FDAWAROLSA-N 0 0 492.402 8.514 40 30 JKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409200418 570165096 /nfs/dbraw/zinc/16/50/96/570165096.db2.gz IELDXIYDSYERNS-ZVHZXABRSA-N 0 0 478.795 6.183 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409200633 570165162 /nfs/dbraw/zinc/16/51/62/570165162.db2.gz IRXZTNOKUIVOGK-NXZPZOCRSA-N 0 0 457.039 7.138 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409200738 570165187 /nfs/dbraw/zinc/16/51/87/570165187.db2.gz ITQLPBPVCGICSF-WKULSOCRSA-N 0 0 494.816 7.902 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409200827 570165284 /nfs/dbraw/zinc/16/52/84/570165284.db2.gz JJLHTMOUKKTYFB-RPPGKUMJSA-N 0 0 495.200 7.103 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409200999 570165293 /nfs/dbraw/zinc/16/52/93/570165293.db2.gz LCKNHJSSLJZYJM-TURZUDJPSA-N 0 0 473.550 6.314 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409201229 570165348 /nfs/dbraw/zinc/16/53/48/570165348.db2.gz KSBKRQVXQCQKIX-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409201337 570165354 /nfs/dbraw/zinc/16/53/54/570165354.db2.gz LPVFYPYUSAVLMB-KVSWJAHQSA-N 0 0 478.854 7.435 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000409201207 570165409 /nfs/dbraw/zinc/16/54/09/570165409.db2.gz KOVASWNRMUFSJT-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409201322 570165411 /nfs/dbraw/zinc/16/54/11/570165411.db2.gz LMWIKCCNMPXJQJ-VFLNYLIXSA-N 0 0 492.881 7.825 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000409201502 570165455 /nfs/dbraw/zinc/16/54/55/570165455.db2.gz NWRLHATZYZYJBM-CCVNUDIWSA-N 0 0 478.803 7.774 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201737 570165542 /nfs/dbraw/zinc/16/55/42/570165542.db2.gz NUBVATBUGCWIPM-ZMOGYAJESA-N 0 0 455.854 6.406 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409201786 570165601 /nfs/dbraw/zinc/16/56/01/570165601.db2.gz OBICTDLUDZQMPY-RWPZCVJISA-N 0 0 458.436 7.118 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409201632 570165603 /nfs/dbraw/zinc/16/56/03/570165603.db2.gz NEUIMUQKDDZBTG-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1Br ZINC000409201730 570165610 /nfs/dbraw/zinc/16/56/10/570165610.db2.gz PHOPUTUDTYHNDN-UHFFFAOYSA-N 0 0 466.000 6.695 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409201919 570165710 /nfs/dbraw/zinc/16/57/10/570165710.db2.gz OSIXGWHKUIKEAS-FDAWAROLSA-N 0 0 475.947 8.000 40 30 JKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1C ZINC000409201831 570165713 /nfs/dbraw/zinc/16/57/13/570165713.db2.gz ODWGIKXETZTQEG-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409202151 570165776 /nfs/dbraw/zinc/16/57/76/570165776.db2.gz PJVJSEYTMCEYOG-RPPGKUMJSA-N 0 0 450.749 6.994 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c1 ZINC000409202200 570165793 /nfs/dbraw/zinc/16/57/93/570165793.db2.gz PZKMSBOJRHIFER-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409202439 570165856 /nfs/dbraw/zinc/16/58/56/570165856.db2.gz QPGUQLVBKUREGF-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OC ZINC000409202319 570165860 /nfs/dbraw/zinc/16/58/60/570165860.db2.gz PRRYENMPSHXOTB-BUVRLJJBSA-N 0 0 473.310 6.241 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(F)cc1 ZINC000409202253 570165919 /nfs/dbraw/zinc/16/59/19/570165919.db2.gz QVHQONJDRQPKAV-ZMOGYAJESA-N 0 0 461.274 5.769 40 30 JKEBRN Clc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409202684 570166083 /nfs/dbraw/zinc/16/60/83/570166083.db2.gz SPMLMOLXYPKFFV-WYMPLXKRSA-N 0 0 479.599 7.195 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409202817 570166103 /nfs/dbraw/zinc/16/61/03/570166103.db2.gz SQCALMCMTSSLIW-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c(C)c1 ZINC000409202847 570166114 /nfs/dbraw/zinc/16/61/14/570166114.db2.gz TYIGUHFAVIIXAF-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409203065 570166140 /nfs/dbraw/zinc/16/61/40/570166140.db2.gz UXUNMHAGEQGRQC-KBKYJPHKSA-N 0 0 455.168 7.638 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409202922 570166155 /nfs/dbraw/zinc/16/61/55/570166155.db2.gz UIHMVSDYMHQWCR-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN Brc1ccc(NN=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 ZINC000409203050 570166200 /nfs/dbraw/zinc/16/62/00/570166200.db2.gz UKCLPTYXRKATFY-NTFVMDSBSA-N 0 0 454.371 7.051 40 30 JKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000409203296 570166389 /nfs/dbraw/zinc/16/63/89/570166389.db2.gz WFWJSJRDWQCDGI-OVVQPSECSA-N 0 0 463.942 6.651 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409203327 570166391 /nfs/dbraw/zinc/16/63/91/570166391.db2.gz XEXLSLREGTXNTP-VULFUBBASA-N 0 0 461.861 7.161 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409203459 570166415 /nfs/dbraw/zinc/16/64/15/570166415.db2.gz XFOKHSSKXKJFGG-AFUMVMLFSA-N 0 0 480.369 5.919 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1Cl ZINC000409203930 570166575 /nfs/dbraw/zinc/16/65/75/570166575.db2.gz ZEXRVAFFLKVYFM-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409203783 570166616 /nfs/dbraw/zinc/16/66/16/570166616.db2.gz XYTZIOWYKFHFKB-MZJWZYIUSA-N 0 0 481.390 6.151 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 ZINC000409203839 570166626 /nfs/dbraw/zinc/16/66/26/570166626.db2.gz YHCGAQHHDCHGGC-LGJNPRDNSA-N 0 0 491.198 7.243 40 30 JKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1C ZINC000409203822 570166628 /nfs/dbraw/zinc/16/66/28/570166628.db2.gz ZBFCNVLMRRPDPX-NAKRTNOJSA-N 0 0 453.608 5.278 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409203908 570166632 /nfs/dbraw/zinc/16/66/32/570166632.db2.gz ZTZMPGCADIINBZ-CFRMEGHHSA-N 0 0 489.553 5.691 40 30 JKEBRN C=CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1Br ZINC000409205513 570166968 /nfs/dbraw/zinc/16/69/68/570166968.db2.gz OIDBLJFPZVVOSA-UHFFFAOYSA-N 0 0 476.006 6.151 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)ccc1OC(=O)c1ccc(F)cc1 ZINC000409206525 570167335 /nfs/dbraw/zinc/16/73/35/570167335.db2.gz PFYQYGMTZVPPQZ-CCVNUDIWSA-N 0 0 479.508 6.152 40 30 JKEBRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409206973 570167481 /nfs/dbraw/zinc/16/74/81/570167481.db2.gz RRTWLLLWQRYLQU-JLPGSUDCSA-N 0 0 454.526 5.096 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409208104 570167953 /nfs/dbraw/zinc/16/79/53/570167953.db2.gz AWRDAONMDVKBOS-RDRPBHBLSA-N 0 0 488.381 7.580 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409208086 570167958 /nfs/dbraw/zinc/16/79/58/570167958.db2.gz AUAMJUVUDNXEHV-JFLMPSFJSA-N 0 0 456.355 6.879 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1F ZINC000409207936 570167985 /nfs/dbraw/zinc/16/79/85/570167985.db2.gz CWNAHHIVDSIWDH-AFUMVMLFSA-N 0 0 475.301 6.159 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCC(=O)OC ZINC000409208177 570168018 /nfs/dbraw/zinc/16/80/18/570168018.db2.gz BPTLVRALVBQTPR-UVHCEKQDSA-N 0 0 489.037 6.125 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCC(=O)OC ZINC000409208176 570168057 /nfs/dbraw/zinc/16/80/57/570168057.db2.gz BPTLVRALVBQTPR-GOQVHDTASA-N 0 0 489.037 6.125 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409208378 570168153 /nfs/dbraw/zinc/16/81/53/570168153.db2.gz BGUAWIUVSICEJD-WYMPLXKRSA-N 0 0 499.213 6.583 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409208505 570168177 /nfs/dbraw/zinc/16/81/77/570168177.db2.gz CPYPBKJXVYEDBB-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 ZINC000409208498 570168181 /nfs/dbraw/zinc/16/81/81/570168181.db2.gz CODBQQOUGXTRSG-LUOAPIJWSA-N 0 0 453.196 8.247 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)cc1Cl ZINC000409208469 570168199 /nfs/dbraw/zinc/16/81/99/570168199.db2.gz CKRQEJGBZXTREN-OKCVXOCRSA-N 0 0 456.973 7.187 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 ZINC000409208482 570168218 /nfs/dbraw/zinc/16/82/18/570168218.db2.gz CLZWTGXSBASZDR-NDZAJKAJSA-N 0 0 457.957 7.861 40 30 JKEBRN Cc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)c(C)c1 ZINC000409208763 570168316 /nfs/dbraw/zinc/16/83/16/570168316.db2.gz DERMNOYWJXMISD-FJEPWZHXSA-N 0 0 464.443 7.927 40 30 JKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409208999 570168465 /nfs/dbraw/zinc/16/84/65/570168465.db2.gz DWMRDJPREFLBSR-WSDLNYQXSA-N 0 0 472.251 5.817 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409208832 570168466 /nfs/dbraw/zinc/16/84/66/570168466.db2.gz CIXGYUJHZWPOEA-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409208846 570168475 /nfs/dbraw/zinc/16/84/75/570168475.db2.gz CMZVOQOPACOBHP-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1Cl ZINC000409208868 570168488 /nfs/dbraw/zinc/16/84/88/570168488.db2.gz DUCFMWWIADIBGL-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409208918 570168503 /nfs/dbraw/zinc/16/85/03/570168503.db2.gz AUCKAPYTDLKGMI-BKUYFWCQSA-N 0 0 464.978 5.342 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409208904 570168513 /nfs/dbraw/zinc/16/85/13/570168513.db2.gz DDPUSEKBOMEYDQ-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409209049 570168612 /nfs/dbraw/zinc/16/86/12/570168612.db2.gz FEIZWJPDDFGNMZ-MFKUBSTISA-N 0 0 487.191 7.319 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(OC)c1O ZINC000409209190 570168622 /nfs/dbraw/zinc/16/86/22/570168622.db2.gz GJXCQBUVPRFCMI-WQRHYEAKSA-N 0 0 460.349 5.128 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409209395 570168755 /nfs/dbraw/zinc/16/87/55/570168755.db2.gz GPKWAMWRDBCVNW-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409209614 570168824 /nfs/dbraw/zinc/16/88/24/570168824.db2.gz CVFYOZFXFXUYTA-XODNFHPESA-N 0 0 475.803 7.286 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409209604 570168826 /nfs/dbraw/zinc/16/88/26/570168826.db2.gz HFMDLABJKMQYGJ-XODNFHPESA-N 0 0 471.384 6.695 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1C(C)C ZINC000409209621 570168840 /nfs/dbraw/zinc/16/88/40/570168840.db2.gz GWDHAHMVGWPOGO-YRTYMPHOSA-N 0 0 481.420 6.801 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409209575 570168859 /nfs/dbraw/zinc/16/88/59/570168859.db2.gz HCSMDERGUSYWGC-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c(C)c1 ZINC000409209828 570169037 /nfs/dbraw/zinc/16/90/37/570169037.db2.gz HNPWFAROLKPQCU-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1Cl ZINC000409209726 570169044 /nfs/dbraw/zinc/16/90/44/570169044.db2.gz HMVJZUOLOLHQIB-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409210099 570169135 /nfs/dbraw/zinc/16/91/35/570169135.db2.gz IDKGTWHNODZHOH-LGJNPRDNSA-N 0 0 487.781 6.188 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409210072 570169144 /nfs/dbraw/zinc/16/91/44/570169144.db2.gz KSICNWNCVLHZHA-KKMKTNMSSA-N 0 0 464.827 7.127 40 30 JKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3cc(Cl)ccc3C)cc2Cl)c1 ZINC000409209987 570169151 /nfs/dbraw/zinc/16/91/51/570169151.db2.gz HNJFNIMBQFTOEA-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409209965 570169159 /nfs/dbraw/zinc/16/91/59/570169159.db2.gz IUJLLVCOBQMBHK-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN N#Cc1c(/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)sc2c1C1CCN2CC1 ZINC000409210098 570169161 /nfs/dbraw/zinc/16/91/61/570169161.db2.gz DPQCEWVSFLTRKO-VTNSRFBWSA-N 0 0 472.617 7.224 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C\c1cn(CCOc2ccccc2)c2ccccc12)CCCC3 ZINC000409210326 570169302 /nfs/dbraw/zinc/16/93/02/570169302.db2.gz KBFLUUBNXPGQEC-MWLSYYOVSA-N 0 0 468.582 5.253 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409210246 570169332 /nfs/dbraw/zinc/16/93/32/570169332.db2.gz IVJRWQJZVGNUHI-UVHMKAGCSA-N 0 0 464.776 7.384 40 30 JKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409210373 570169392 /nfs/dbraw/zinc/16/93/92/570169392.db2.gz KPENJQQNORMTER-LGJNPRDNSA-N 0 0 463.202 7.648 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409210389 570169396 /nfs/dbraw/zinc/16/93/96/570169396.db2.gz JGLZJMCAJPKEFA-IPBVOBEMSA-N 0 0 499.272 7.780 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000409210346 570169441 /nfs/dbraw/zinc/16/94/41/570169441.db2.gz KJHQMGJDPHSUJE-LWABSXGCSA-N 0 0 493.456 6.770 40 30 JKEBRN Fc1ccc(COc2c(Br)cc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409210498 570169486 /nfs/dbraw/zinc/16/94/86/570169486.db2.gz JFLQUCWOQJZKLW-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 ZINC000409210639 570169514 /nfs/dbraw/zinc/16/95/14/570169514.db2.gz JVKUKIGBJYWWKS-AFUMVMLFSA-N 0 0 453.336 5.534 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000409210734 570169537 /nfs/dbraw/zinc/16/95/37/570169537.db2.gz KVAADWDAOVMWHH-LKDLRLLFSA-N 0 0 473.038 6.325 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2Cl)cc1 ZINC000409210671 570169564 /nfs/dbraw/zinc/16/95/64/570169564.db2.gz KOXSQHZFNQCGLV-ISHFRVPGSA-N 0 0 477.457 6.970 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409210655 570169600 /nfs/dbraw/zinc/16/96/00/570169600.db2.gz KMVKUTJCBWSERD-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409210947 570169623 /nfs/dbraw/zinc/16/96/23/570169623.db2.gz LUUIOALCSZWDAH-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c(C)c1 ZINC000409210772 570169655 /nfs/dbraw/zinc/16/96/55/570169655.db2.gz LAJKLBMBQFUCSD-NAKRTNOJSA-N 0 0 453.608 5.278 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409211014 570169755 /nfs/dbraw/zinc/16/97/55/570169755.db2.gz LUVJBJOUTBQEGZ-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409211060 570169841 /nfs/dbraw/zinc/16/98/41/570169841.db2.gz KIAOSWLSCOVBBU-DXRBVMPTSA-N 0 0 490.585 6.625 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000409211273 570169910 /nfs/dbraw/zinc/16/99/10/570169910.db2.gz MTGVKHWDOGOAPQ-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1 ZINC000409211252 570169919 /nfs/dbraw/zinc/16/99/19/570169919.db2.gz NDVIVWBMSJYSDD-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1Cl ZINC000409211602 570170144 /nfs/dbraw/zinc/17/01/44/570170144.db2.gz LZSFRMDWUVUOCH-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409211769 570170189 /nfs/dbraw/zinc/17/01/89/570170189.db2.gz MZBZXFRTMCDYIH-CHNNLWIBSA-N 0 0 481.618 5.110 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Br)cc1 ZINC000409211826 570170275 /nfs/dbraw/zinc/17/02/75/570170275.db2.gz OJSFADPNMJGJFY-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OCc2ccccc2)c1 ZINC000409211842 570170278 /nfs/dbraw/zinc/17/02/78/570170278.db2.gz NGPSBAIJDVTNCN-ZIDYKHOZSA-N 0 0 499.724 7.947 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409211862 570170294 /nfs/dbraw/zinc/17/02/94/570170294.db2.gz OXPCJIOMQCSMEY-IPPBACCNSA-N 0 0 492.881 7.771 40 30 JKEBRN O=C(COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl)Nc1ccccc1 ZINC000409211958 570170301 /nfs/dbraw/zinc/17/03/01/570170301.db2.gz PJCCPKPOXRPQLP-RDRPBHBLSA-N 0 0 456.929 6.900 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409211949 570170305 /nfs/dbraw/zinc/17/03/05/570170305.db2.gz PIRFMAZNNQIWQR-ZMOGYAJESA-N 0 0 471.853 6.107 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000409212099 570170349 /nfs/dbraw/zinc/17/03/49/570170349.db2.gz OWTFZYCYITZDQM-ZMOGYAJESA-N 0 0 475.180 6.550 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1C ZINC000409212061 570170370 /nfs/dbraw/zinc/17/03/70/570170370.db2.gz LSAOWQZLLMLJKK-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409212201 570170394 /nfs/dbraw/zinc/17/03/94/570170394.db2.gz NXMHRNWDGMWOKG-LUOAPIJWSA-N 0 0 469.195 7.947 40 30 JKEBRN Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)n1 ZINC000261526729 570170397 /nfs/dbraw/zinc/17/03/97/570170397.db2.gz ICSUMUBHPPODDA-SFHVURJKSA-N 0 0 458.612 5.507 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(C)c3C#N)sc2C1 ZINC000261526598 570170420 /nfs/dbraw/zinc/17/04/20/570170420.db2.gz CREFTTIAOMYFAK-MRXNPFEDSA-N 0 0 452.649 5.775 40 30 JKEBRN O=S(=O)(Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000409212210 570170421 /nfs/dbraw/zinc/17/04/21/570170421.db2.gz QBXZNNJPHRLQKL-MWAVMZGNSA-N 0 0 479.557 7.150 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409212270 570170433 /nfs/dbraw/zinc/17/04/33/570170433.db2.gz PHJUFSSZMZJPJD-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409212313 570170478 /nfs/dbraw/zinc/17/04/78/570170478.db2.gz PUZLQZUUTKHMBL-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl ZINC000409212491 570170546 /nfs/dbraw/zinc/17/05/46/570170546.db2.gz MRYXQEYNVWRRSV-YPXUMCKCSA-N 0 0 473.614 8.592 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000409212644 570170577 /nfs/dbraw/zinc/17/05/77/570170577.db2.gz RFHSSIXXWJXENC-IPBVOBEMSA-N 0 0 483.273 8.080 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409212804 570170634 /nfs/dbraw/zinc/17/06/34/570170634.db2.gz RAIYVCFRVAAFNL-WGOQTCKBSA-N 0 0 457.979 6.128 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 ZINC000409212793 570170680 /nfs/dbraw/zinc/17/06/80/570170680.db2.gz QOMIPTDJPVFNDW-JVWAILMASA-N 0 0 497.389 6.015 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1C ZINC000409212851 570170701 /nfs/dbraw/zinc/17/07/01/570170701.db2.gz RBZQFCFFEYCXSL-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 ZINC000409212912 570170764 /nfs/dbraw/zinc/17/07/64/570170764.db2.gz RTNAWXBDWPRGTK-JVWAILMASA-N 0 0 452.938 5.906 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409213044 570170808 /nfs/dbraw/zinc/17/08/08/570170808.db2.gz OBKSGVXJMMXDDX-WOJGMQOQSA-N 0 0 494.794 6.307 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409213068 570170923 /nfs/dbraw/zinc/17/09/23/570170923.db2.gz OEPQCKHIZLEKIB-XRABMHPCSA-N 0 0 450.435 6.490 40 30 JKEBRN CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409213384 570171006 /nfs/dbraw/zinc/17/10/06/570171006.db2.gz UDGISRAFSHURAJ-ZVHZXABRSA-N 0 0 475.180 7.153 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409213352 570171016 /nfs/dbraw/zinc/17/10/16/570171016.db2.gz STFLRCLQHLBHQU-ZMOGYAJESA-N 0 0 494.794 5.938 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409213439 570171029 /nfs/dbraw/zinc/17/10/29/570171029.db2.gz VFHMAKCDGAVUTK-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 ZINC000409214037 570171438 /nfs/dbraw/zinc/17/14/38/570171438.db2.gz XCBFGVCUTGMIFJ-BRJLIKDPSA-N 0 0 493.170 6.689 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409213506 570171123 /nfs/dbraw/zinc/17/11/23/570171123.db2.gz PJGSOGPRNZFERU-UDWIEESQSA-N 0 0 496.932 5.726 40 30 JKEBRN CCc1ccc(/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409213489 570171152 /nfs/dbraw/zinc/17/11/52/570171152.db2.gz PDKQVWIXVMRWQR-VULFUBBASA-N 0 0 489.328 6.331 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 ZINC000409213899 570171259 /nfs/dbraw/zinc/17/12/59/570171259.db2.gz VOYMTBTYUMSIMY-BUVRLJJBSA-N 0 0 490.375 5.375 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc2n1Cc1ccccc1C#N ZINC000409213807 570171266 /nfs/dbraw/zinc/17/12/66/570171266.db2.gz QXUBVTFGPXMHFK-AGASURJISA-N 0 0 490.676 7.704 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409213697 570171267 /nfs/dbraw/zinc/17/12/67/570171267.db2.gz UYXQZFQHOGFKLT-ACQOKJFWSA-N 0 0 492.685 6.790 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000409213840 570171276 /nfs/dbraw/zinc/17/12/76/570171276.db2.gz UWXQYGISSNGELG-QFQBBHSUSA-N 0 0 488.613 5.129 40 30 JKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409213767 570171307 /nfs/dbraw/zinc/17/13/07/570171307.db2.gz TUPBHKLTQMUWTR-RPPGKUMJSA-N 0 0 450.800 6.819 40 30 JKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409213778 570171308 /nfs/dbraw/zinc/17/13/08/570171308.db2.gz QVDICXCUCBNWDE-SOAWYEDYSA-N 0 0 456.615 5.959 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc2n1Cc1ccccc1C#N ZINC000409214089 570171393 /nfs/dbraw/zinc/17/13/93/570171393.db2.gz QXUBVTFGPXMHFK-UHEGNYGVSA-N 0 0 490.676 7.704 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213905 570171400 /nfs/dbraw/zinc/17/14/00/570171400.db2.gz WDVZDQKVFQXYEM-BRJLIKDPSA-N 0 0 489.753 6.657 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409213910 570171402 /nfs/dbraw/zinc/17/14/02/570171402.db2.gz VFORXKPVKFPLEV-AFUMVMLFSA-N 0 0 489.207 6.940 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000409213996 570171435 /nfs/dbraw/zinc/17/14/35/570171435.db2.gz WHDXFUIVIOLQNP-SLHJDRLVSA-N 0 0 453.402 5.112 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)sc2C1 ZINC000409214115 570171529 /nfs/dbraw/zinc/17/15/29/570171529.db2.gz VWVCDPDXISKZAR-DJLXCBRGSA-N 0 0 469.629 7.663 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cn(CCOc4ccccc4)c4ccccc34)sc2C1 ZINC000409214240 570171549 /nfs/dbraw/zinc/17/15/49/570171549.db2.gz WSQBYJLODRVIOP-PGYFOQMFSA-N 0 0 481.665 7.555 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409214416 570171638 /nfs/dbraw/zinc/17/16/38/570171638.db2.gz UXZOVDTXXUXACU-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1F ZINC000409214460 570171673 /nfs/dbraw/zinc/17/16/73/570171673.db2.gz XPOIIXILCPVURD-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN O=S(=O)(Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl)c1ccccc1 ZINC000409214602 570171706 /nfs/dbraw/zinc/17/17/06/570171706.db2.gz WJCHLECFULWVLX-OGLMXYFKSA-N 0 0 498.387 7.304 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Cl ZINC000409214656 570171720 /nfs/dbraw/zinc/17/17/20/570171720.db2.gz ZGHGAXVHLSWREH-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409214518 570171726 /nfs/dbraw/zinc/17/17/26/570171726.db2.gz VPNVNSYBWXFAIP-ZMOGYAJESA-N 0 0 494.794 5.938 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c(C)c1 ZINC000409214797 570171826 /nfs/dbraw/zinc/17/18/26/570171826.db2.gz YWTJHDWWYSQHFH-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3cccc(C)c3C)cc2Cl)cc1Cl ZINC000409215047 570171988 /nfs/dbraw/zinc/17/19/88/570171988.db2.gz ZLBBGLXAQWYMLL-KVSWJAHQSA-N 0 0 475.803 7.340 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409215030 570171999 /nfs/dbraw/zinc/17/19/99/570171999.db2.gz ZGIRMIUATRQHJZ-RWPZCVJISA-N 0 0 495.417 6.541 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409215391 570172073 /nfs/dbraw/zinc/17/20/73/570172073.db2.gz XTZHDSFLSOQMRX-ZMOGYAJESA-N 0 0 475.180 6.550 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409215361 570172074 /nfs/dbraw/zinc/17/20/74/570172074.db2.gz ZPSCUVSXZNQURQ-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000409215366 570172097 /nfs/dbraw/zinc/17/20/97/570172097.db2.gz ZSOHIICHSXVYOU-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2Cl)c1 ZINC000409215444 570172203 /nfs/dbraw/zinc/17/22/03/570172203.db2.gz YVLHJOWGXHPXGT-ISHFRVPGSA-N 0 0 477.457 6.970 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409215675 570172215 /nfs/dbraw/zinc/17/22/15/570172215.db2.gz DHQCRJMOVCXVHP-HPJGCCTDSA-N 0 0 467.429 5.502 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409215581 570172216 /nfs/dbraw/zinc/17/22/16/570172216.db2.gz BQCIEDTXXHHVKZ-MZJWZYIUSA-N 0 0 481.390 6.151 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409215767 570172329 /nfs/dbraw/zinc/17/23/29/570172329.db2.gz FCGZNEJNSHQDRE-DHRITJCHSA-N 0 0 484.788 6.564 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409216068 570172463 /nfs/dbraw/zinc/17/24/63/570172463.db2.gz HRNUFFGAOJSWHI-VXLYETTFSA-N 0 0 492.778 5.754 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409216003 570172480 /nfs/dbraw/zinc/17/24/80/570172480.db2.gz CXOSFRYCZQIMJX-ZVHZXABRSA-N 0 0 450.343 5.910 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409216202 570172612 /nfs/dbraw/zinc/17/26/12/570172612.db2.gz IRGUDTIJQAGKBI-XODNFHPESA-N 0 0 491.802 7.122 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409216123 570172625 /nfs/dbraw/zinc/17/26/25/570172625.db2.gz FKXVNTWYVXVAHS-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN C=C(C)[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)CC ZINC000263612837 570172638 /nfs/dbraw/zinc/17/26/38/570172638.db2.gz YOXXESRXSQRNHU-PWDBOFAFSA-N 0 0 452.723 8.292 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409216458 570172668 /nfs/dbraw/zinc/17/26/68/570172668.db2.gz LHDJNMGSWQHPFG-FLSMQFACSA-N 0 0 473.038 6.407 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409216292 570172726 /nfs/dbraw/zinc/17/27/26/570172726.db2.gz JVGSYGYVCWDBBX-KKMKTNMSSA-N 0 0 477.775 6.732 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409216596 570172762 /nfs/dbraw/zinc/17/27/62/570172762.db2.gz MRCPXKKADCBWRT-MUFRIFMGSA-N 0 0 474.398 7.557 40 30 JKEBRN N#Cc1c(/N=C/c2cn(CCOc3ccccc3)c3ccccc23)sc2c1C1CCN2CC1 ZINC000409216542 570172769 /nfs/dbraw/zinc/17/27/69/570172769.db2.gz JDWLYPZOYCQJPN-STBIYBPSSA-N 0 0 452.583 6.101 40 30 JKEBRN Cc1cccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)c1C ZINC000409216584 570172784 /nfs/dbraw/zinc/17/27/84/570172784.db2.gz JOYBRPUGAPWJBY-FJEPWZHXSA-N 0 0 464.443 7.927 40 30 JKEBRN O=C(COc1c(Br)cc(/C=N/c2ccccc2)cc1Br)Nc1ccccc1 ZINC000409216597 570172815 /nfs/dbraw/zinc/17/28/15/570172815.db2.gz JTJDYDYCTFAQSU-ZMOGYAJESA-N 0 0 488.179 5.980 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000409216768 570172873 /nfs/dbraw/zinc/17/28/73/570172873.db2.gz OIXUPGAASBLAJL-LDRHNPJFSA-N 0 0 460.441 5.946 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409216900 570172910 /nfs/dbraw/zinc/17/29/10/570172910.db2.gz MEQUOQXNGSOGCU-LGJNPRDNSA-N 0 0 479.201 7.484 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409217000 570172972 /nfs/dbraw/zinc/17/29/72/570172972.db2.gz QNLKJPWLLKPFBL-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccc(F)cc1 ZINC000409216971 570172973 /nfs/dbraw/zinc/17/29/73/570172973.db2.gz QDZQYCQEKPTMQL-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409217059 570172988 /nfs/dbraw/zinc/17/29/88/570172988.db2.gz RDGQJSVGGXTZKT-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409217362 570173099 /nfs/dbraw/zinc/17/30/99/570173099.db2.gz PLUDOVLEKCZERT-DHRITJCHSA-N 0 0 489.207 6.858 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409217339 570173113 /nfs/dbraw/zinc/17/31/13/570173113.db2.gz PGUWYSNBURXTDX-NDZAJKAJSA-N 0 0 466.537 6.564 40 30 JKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1Cl ZINC000409217144 570173119 /nfs/dbraw/zinc/17/31/19/570173119.db2.gz SNAPAEKDMIRWKI-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN FC(F)(F)c1ccccc1-c1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)o1 ZINC000409217919 570173331 /nfs/dbraw/zinc/17/33/31/570173331.db2.gz RQOPWGKTTUIXJO-MUFRIFMGSA-N 0 0 493.493 5.362 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409217842 570173356 /nfs/dbraw/zinc/17/33/56/570173356.db2.gz XIMSLIUWSORJNZ-WPWMEQJKSA-N 0 0 459.574 6.734 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Br)cc1O ZINC000409218099 570173441 /nfs/dbraw/zinc/17/34/41/570173441.db2.gz YMZGPXPSDZVRKB-KWRYHKOTSA-N 0 0 461.425 6.388 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(F)cc1 ZINC000409218171 570173489 /nfs/dbraw/zinc/17/34/89/570173489.db2.gz ZACHWTFEQAARNZ-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CCCCCCCCCCCCS[C@H](CC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000409218247 570173492 /nfs/dbraw/zinc/17/34/92/570173492.db2.gz DTQMAOYUBVLDPG-GDLZYMKVSA-N 0 0 453.736 8.721 40 30 JKEBRN Cc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1Cl ZINC000409218734 570173701 /nfs/dbraw/zinc/17/37/01/570173701.db2.gz KCUQQKGALGMOPO-AMVVHIIESA-N 0 0 484.861 8.272 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1C(C)C ZINC000409218972 570173809 /nfs/dbraw/zinc/17/38/09/570173809.db2.gz ZEBIKKCMMBSDKB-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN CCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409219680 570173988 /nfs/dbraw/zinc/17/39/88/570173988.db2.gz SZUGWTMUEPXCJU-WSDLNYQXSA-N 0 0 457.739 6.191 40 30 JKEBRN O=C(COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1)Nc1ccc(Cl)cc1 ZINC000409220177 570174040 /nfs/dbraw/zinc/17/40/40/570174040.db2.gz VHENAMHDHYGEFL-UHFFFAOYSA-N 0 0 476.960 5.059 40 30 JKEBRN Cc1c(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409220224 570174057 /nfs/dbraw/zinc/17/40/57/570174057.db2.gz ZOQRMHFDQTZGHK-DICXZTSXSA-N 0 0 491.572 5.789 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409220717 570174166 /nfs/dbraw/zinc/17/41/66/570174166.db2.gz DVOQVJRBOOFGDS-HAVVHWLPSA-N 0 0 467.587 5.466 40 30 JKEBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000409222159 570174833 /nfs/dbraw/zinc/17/48/33/570174833.db2.gz BXFFPSUGLVQVHB-CVKSISIWSA-N 0 0 498.560 5.455 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C2=C1CCCC2=O ZINC000409222852 570175019 /nfs/dbraw/zinc/17/50/19/570175019.db2.gz FDKGUWQGIXXSFY-UHFFFAOYSA-N 0 0 484.596 5.446 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409223257 570175105 /nfs/dbraw/zinc/17/51/05/570175105.db2.gz DZQSMVRBTDMHGF-ZLYYQPRPSA-N 0 0 467.997 6.819 40 30 JKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1C ZINC000409222884 570175138 /nfs/dbraw/zinc/17/51/38/570175138.db2.gz DPQLCOXVANMNQB-SSDVNMTOSA-N 0 0 486.424 6.610 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)S1 ZINC000409223969 570175422 /nfs/dbraw/zinc/17/54/22/570175422.db2.gz GXAJMXAMFJGDAX-LPYMAVHISA-N 0 0 479.945 6.027 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409224049 570175423 /nfs/dbraw/zinc/17/54/23/570175423.db2.gz HGIUPPYSFVHRRA-ONNNIBOUSA-N 0 0 479.371 5.619 40 30 JKEBRN O=C(COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1)Nc1ccc(Cl)cc1 ZINC000409225299 570175871 /nfs/dbraw/zinc/17/58/71/570175871.db2.gz MRWIJLWHENOCEV-UHFFFAOYSA-N 0 0 477.944 5.486 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409225945 570175898 /nfs/dbraw/zinc/17/58/98/570175898.db2.gz RPGWFLIRCREISA-UHFFFAOYSA-N 0 0 490.987 5.367 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000409226547 570176050 /nfs/dbraw/zinc/17/60/50/570176050.db2.gz UQZWRMSNIXAMBB-UHFFFAOYSA-N 0 0 491.971 5.794 40 30 JKEBRN COc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c1 ZINC000409228989 570177014 /nfs/dbraw/zinc/17/70/14/570177014.db2.gz IDNBIQHICCHIIJ-UUYOSTAYSA-N 0 0 451.979 5.956 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)SC1=Nc1ccccc1 ZINC000409231065 570177769 /nfs/dbraw/zinc/17/77/69/570177769.db2.gz BCODNNAADKNWDF-MMKHHPBPSA-N 0 0 465.619 5.326 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)S1 ZINC000409231116 570177791 /nfs/dbraw/zinc/17/77/91/570177791.db2.gz HNSYLZSUTINPBM-LPYMAVHISA-N 0 0 479.945 6.027 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409231351 570177983 /nfs/dbraw/zinc/17/79/83/570177983.db2.gz CFJAEOCFGSDAHI-VXLYETTFSA-N 0 0 493.810 5.876 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(Oc4ccccc4Cl)cc3)o2)c(Br)c1 ZINC000409231647 570178060 /nfs/dbraw/zinc/17/80/60/570178060.db2.gz DSCGICYNYOLRHR-JFLMPSFJSA-N 0 0 466.762 8.214 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(Br)cc1O ZINC000409231916 570178142 /nfs/dbraw/zinc/17/81/42/570178142.db2.gz NAWMOXZAYIFXND-CAOOACKPSA-N 0 0 467.772 5.407 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(Cl)c(Cl)c4)NC3=O)cc2)cc1 ZINC000409233095 570178566 /nfs/dbraw/zinc/17/85/66/570178566.db2.gz 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570186037 /nfs/dbraw/zinc/18/60/37/570186037.db2.gz QVAPYPUSTJVSGV-MFKUBSTISA-N 0 0 472.013 7.101 40 30 JKEBRN Cc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1 ZINC000409253357 570186343 /nfs/dbraw/zinc/18/63/43/570186343.db2.gz AZPOBGXZMHKGID-UHFFFAOYSA-N 0 0 471.553 5.449 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000409253480 570186383 /nfs/dbraw/zinc/18/63/83/570186383.db2.gz UYIUZVAPVZKHEO-KHCRVHBUSA-N 0 0 492.648 6.726 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)S2)cc1 ZINC000408527281 570186409 /nfs/dbraw/zinc/18/64/09/570186409.db2.gz BSMUKSNJGSURBA-HMAPJEAMSA-N 0 0 479.399 6.228 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409253580 570186465 /nfs/dbraw/zinc/18/64/65/570186465.db2.gz ZWPOAHMOIKNWBZ-FFKKSUQSSA-N 0 0 478.642 7.955 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)C2=C1CCCC2=O ZINC000409253964 570186527 /nfs/dbraw/zinc/18/65/27/570186527.db2.gz 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CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccccc3C)cc2)C2=C1CCCC2=O ZINC000409255018 570186801 /nfs/dbraw/zinc/18/68/01/570186801.db2.gz GSNWPZMEEIRGOZ-UHFFFAOYSA-N 0 0 484.596 5.446 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408528969 570186910 /nfs/dbraw/zinc/18/69/10/570186910.db2.gz FZRKIPDYXFNZCP-JLPGSUDCSA-N 0 0 487.581 5.303 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1F ZINC000408529005 570186925 /nfs/dbraw/zinc/18/69/25/570186925.db2.gz GIBPNPVJCRIEHD-MTJSOVHGSA-N 0 0 473.356 6.603 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000408529044 570186992 /nfs/dbraw/zinc/18/69/92/570186992.db2.gz GQIGOTHCHREFBG-UCQKPKSFSA-N 0 0 482.964 6.348 40 30 JKEBRN NC(=O)COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408529639 570187184 /nfs/dbraw/zinc/18/71/84/570187184.db2.gz JLQAMZDIFNLAPW-BSAKSWINSA-N 0 0 498.391 5.666 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408529611 570187196 /nfs/dbraw/zinc/18/71/96/570187196.db2.gz JDTHSPOOMUEDNI-BKUYFWCQSA-N 0 0 483.362 6.059 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1C ZINC000409258500 570187281 /nfs/dbraw/zinc/18/72/81/570187281.db2.gz UIIMEBMGZHDDAY-UHFFFAOYSA-N 0 0 487.552 5.149 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408529545 570187302 /nfs/dbraw/zinc/18/73/02/570187302.db2.gz INEZWGRNFHQFAD-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cccc1OC ZINC000408529768 570187307 /nfs/dbraw/zinc/18/73/07/570187307.db2.gz JGTWNQUZXKGTTF-PDGQHHTCSA-N 0 0 460.349 5.259 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Br)c1OC ZINC000408530152 570187486 /nfs/dbraw/zinc/18/74/86/570187486.db2.gz KXJTZVUXGLBTDP-DHDCSXOGSA-N 0 0 453.745 5.011 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408530204 570187519 /nfs/dbraw/zinc/18/75/19/570187519.db2.gz LHCYZQDHOWEVHE-BKUYFWCQSA-N 0 0 499.817 6.573 40 30 JKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408530026 570187551 /nfs/dbraw/zinc/18/75/51/570187551.db2.gz KDXSSQXHPPCUEO-ONUIUJJFSA-N 0 0 450.563 6.619 40 30 JKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cccc1OC ZINC000408530412 570187632 /nfs/dbraw/zinc/18/76/32/570187632.db2.gz KVZCOSXSEFXRTO-ZDLGFXPLSA-N 0 0 450.343 5.803 40 30 JKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cccc1OC ZINC000408530368 570187714 /nfs/dbraw/zinc/18/77/14/570187714.db2.gz KRGUMLNSWWQOID-PDGQHHTCSA-N 0 0 460.349 5.259 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408530476 570187725 /nfs/dbraw/zinc/18/77/25/570187725.db2.gz LYSTZDQKEOXTGA-HMAPJEAMSA-N 0 0 479.399 6.228 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)S2)cc1 ZINC000408531237 570187912 /nfs/dbraw/zinc/18/79/12/570187912.db2.gz LJAAQNDFKWZWBA-UUYOSTAYSA-N 0 0 469.393 6.772 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1F 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SAVVKLPGURPAGP-XKZIYDEJSA-N 0 0 468.937 5.958 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408532041 570188413 /nfs/dbraw/zinc/18/84/13/570188413.db2.gz NJBPIDBYGPIDRQ-IWIPYMOSSA-N 0 0 462.546 6.003 40 30 JKEBRN Cc1ccccc1NC(=O)COc1ccccc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409266263 570188518 /nfs/dbraw/zinc/18/85/18/570188518.db2.gz QDZSQJLVLISDKA-UHFFFAOYSA-N 0 0 457.526 5.141 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000408532376 570188557 /nfs/dbraw/zinc/18/85/57/570188557.db2.gz URWRZHVCUICBJR-JCMHNJIXSA-N 0 0 464.974 6.209 40 30 JKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cccc1OC ZINC000408532291 570188558 /nfs/dbraw/zinc/18/85/58/570188558.db2.gz NUIDEIKGLSZMRW-WQRHYEAKSA-N 0 0 450.343 5.803 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OCC ZINC000408532825 570188593 /nfs/dbraw/zinc/18/85/93/570188593.db2.gz PGFFNORJYPFAAH-PDGQHHTCSA-N 0 0 461.381 5.447 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000408532820 570188641 /nfs/dbraw/zinc/18/86/41/570188641.db2.gz WCDMWHRPAKPZRK-HMAPJEAMSA-N 0 0 482.964 6.348 40 30 JKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408532796 570188644 /nfs/dbraw/zinc/18/86/44/570188644.db2.gz OZVADOIWXARZKO-QFVKKHJYSA-N 0 0 483.376 6.589 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408532845 570188687 /nfs/dbraw/zinc/18/86/87/570188687.db2.gz WHAZGKQBGFNOEF-NDENLUEZSA-N 0 0 489.811 7.117 40 30 JKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408532670 570188689 /nfs/dbraw/zinc/18/86/89/570188689.db2.gz ONIRUDKQZMKMKE-SCLYKGHXSA-N 0 0 489.811 7.464 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccccc1OCc1ccc(Br)cc1 ZINC000408532791 570188697 /nfs/dbraw/zinc/18/86/97/570188697.db2.gz VXGKZKBCTAAVIV-STZFKDTASA-N 0 0 465.372 5.920 40 30 JKEBRN CCCOc1c(Br)cc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O ZINC000408532886 570188800 /nfs/dbraw/zinc/18/88/00/570188800.db2.gz WNXOMOHDCHAKAV-YBEGLDIGSA-N 0 0 496.224 5.892 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000408533575 570189049 /nfs/dbraw/zinc/18/90/49/570189049.db2.gz ZCQZLXMNFBAPMU-STZFKDTASA-N 0 0 465.372 5.920 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408533868 570189218 /nfs/dbraw/zinc/18/92/18/570189218.db2.gz SQUNVZVGYGXRAG-YTFPPIDOSA-N 0 0 469.393 7.201 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408533914 570189228 /nfs/dbraw/zinc/18/92/28/570189228.db2.gz SXXNQEKVKVTBNU-IWIPYMOSSA-N 0 0 489.553 5.773 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)S2)cc1 ZINC000408533873 570189237 /nfs/dbraw/zinc/18/92/37/570189237.db2.gz SRXIUDZPYPPKQS-XKZIYDEJSA-N 0 0 469.393 6.772 40 30 JKEBRN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)c2)cc1C ZINC000409272012 570189299 /nfs/dbraw/zinc/18/92/99/570189299.db2.gz XOYCGVZNLUOXKT-UHFFFAOYSA-N 0 0 484.596 5.364 40 30 JKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(N4CCC(C)CC4)o2)CCCC3)cc1 ZINC000409271365 570189313 /nfs/dbraw/zinc/18/93/13/570189313.db2.gz BVIPRCGJTJBRDU-OGLMXYFKSA-N 0 0 461.631 6.768 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408534290 570189379 /nfs/dbraw/zinc/18/93/79/570189379.db2.gz UXGGYSUUEAXXKA-UYRXBGFRSA-N 0 0 471.376 5.060 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408534352 570189511 /nfs/dbraw/zinc/18/95/11/570189511.db2.gz VHPOUJBNECXJOI-UYRXBGFRSA-N 0 0 473.392 5.613 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)cc2)cc1 ZINC000409273975 570189539 /nfs/dbraw/zinc/18/95/39/570189539.db2.gz AYQQCTIPQHDBFV-UHFFFAOYSA-N 0 0 494.595 5.652 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc(OC)c1O ZINC000409275070 570189679 /nfs/dbraw/zinc/18/96/79/570189679.db2.gz HSYHIYWLRCRSOI-UHFFFAOYSA-N 0 0 485.927 5.788 40 30 JKEBRN CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409274977 570189691 /nfs/dbraw/zinc/18/96/91/570189691.db2.gz HBDRGRIBWIDKMC-MRXNPFEDSA-N 0 0 499.453 5.582 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)ccc1OC ZINC000408535059 570189727 /nfs/dbraw/zinc/18/97/27/570189727.db2.gz XNHFDMOPRCAKKO-PUROBGENSA-N 0 0 499.419 7.209 40 30 JKEBRN CC(C)(C)COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC000409275356 570189759 /nfs/dbraw/zinc/18/97/59/570189759.db2.gz ITUIGBNJLLRNTE-UHFFFAOYSA-N 0 0 470.411 5.764 40 30 JKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2c(C)cc(C)cc2C)cc1C(C)C ZINC000409275823 570189786 /nfs/dbraw/zinc/18/97/86/570189786.db2.gz LTUGAAFCIZLNAN-UHFFFAOYSA-N 0 0 453.586 6.311 40 30 JKEBRN C=CCOc1cc(N(C)C)ccc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O ZINC000409275363 570189828 /nfs/dbraw/zinc/18/98/28/570189828.db2.gz IVLMNIRYBXPMLY-UHFFFAOYSA-N 0 0 492.501 5.595 40 30 JKEBRN CC[C@H](C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c1 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C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1 ZINC000409289489 570193442 /nfs/dbraw/zinc/19/34/42/570193442.db2.gz GQUOUCROJQKYIL-UHFFFAOYSA-N 0 0 498.336 5.466 40 30 JKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Br)cs1 ZINC000409289354 570193473 /nfs/dbraw/zinc/19/34/73/570193473.db2.gz MCKXMPRFISPESN-UHFFFAOYSA-N 0 0 478.293 5.789 40 30 JKEBRN C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cc1Cl ZINC000409289903 570193564 /nfs/dbraw/zinc/19/35/64/570193564.db2.gz PRELLSLTBMIMHB-UHFFFAOYSA-N 0 0 488.330 6.011 40 30 JKEBRN CC(C)(C)COc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409289759 570193584 /nfs/dbraw/zinc/19/35/84/570193584.db2.gz OVMUXDLGWLGEIO-UHFFFAOYSA-N 0 0 470.411 5.764 40 30 JKEBRN CC(C)(C)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409289930 570193569 /nfs/dbraw/zinc/19/35/69/570193569.db2.gz JCMQDSPKRHWKFO-UHFFFAOYSA-N 0 0 496.523 6.025 40 30 JKEBRN CC[C@@H](C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409289791 570193646 /nfs/dbraw/zinc/19/36/46/570193646.db2.gz IEBIIPVMTNJUGQ-MRXNPFEDSA-N 0 0 482.968 6.065 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000409290293 570193730 /nfs/dbraw/zinc/19/37/30/570193730.db2.gz RYJNZXHLUJHLLP-UHFFFAOYSA-N 0 0 492.545 6.753 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(N2CCCC2)cc1F ZINC000409290626 570193854 /nfs/dbraw/zinc/19/38/54/570193854.db2.gz UTHYXSDFAXQGJQ-UHFFFAOYSA-N 0 0 486.934 6.085 40 30 JKEBRN C=CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000409290682 570193855 /nfs/dbraw/zinc/19/38/55/570193855.db2.gz AHEFZDKLOIVFLE-UHFFFAOYSA-N 0 0 466.453 5.165 40 30 JKEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000409290857 570193870 /nfs/dbraw/zinc/19/38/70/570193870.db2.gz NMEGRGUAWGUPAV-UHFFFAOYSA-N 0 0 470.754 6.078 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Sc2ccccc2)cc1 ZINC000409290544 570193871 /nfs/dbraw/zinc/19/38/71/570193871.db2.gz UHUHRRRRXKDWDP-UHFFFAOYSA-N 0 0 450.361 5.501 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl ZINC000409290555 570193875 /nfs/dbraw/zinc/19/38/75/570193875.db2.gz UJXGHZCOBNDYAQ-UHFFFAOYSA-N 0 0 493.438 7.041 40 30 JKEBRN COc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409290710 570193885 /nfs/dbraw/zinc/19/38/85/570193885.db2.gz AOBPHVKCIGVCQU-UHFFFAOYSA-N 0 0 472.932 5.420 40 30 JKEBRN CC[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000409290865 570193898 /nfs/dbraw/zinc/19/38/98/570193898.db2.gz VIKWCKAZGGJWLZ-KRWDZBQOSA-N 0 0 482.496 5.777 40 30 JKEBRN O=C(COc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)Nc1ccccc1 ZINC000409290957 570193985 /nfs/dbraw/zinc/19/39/85/570193985.db2.gz BEUMXLAARKSYOP-UHFFFAOYSA-N 0 0 480.568 5.344 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccccc2F)c1 ZINC000409291192 570194002 /nfs/dbraw/zinc/19/40/02/570194002.db2.gz WRMJSHROOKJNRD-UHFFFAOYSA-N 0 0 466.310 5.068 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C=C/c2ccccc2)cc1C(C)C ZINC000409291347 570194012 /nfs/dbraw/zinc/19/40/12/570194012.db2.gz XFVLGXLBJVKCKF-DTIVZZBWSA-N 0 0 451.570 6.441 40 30 JKEBRN CCOc1cc(C)c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OCC ZINC000409291444 570194092 /nfs/dbraw/zinc/19/40/92/570194092.db2.gz CNMLZINZAOEBKU-UHFFFAOYSA-N 0 0 495.501 6.070 40 30 JKEBRN COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCc1cccc(C)c1 ZINC000409291951 570194182 /nfs/dbraw/zinc/19/41/82/570194182.db2.gz YZTTWIYIUFMDCL-UHFFFAOYSA-N 0 0 492.373 5.246 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O)c(OC)c2)cc1C(C)C ZINC000409292123 570194194 /nfs/dbraw/zinc/19/41/94/570194194.db2.gz CNTUYHVAODWOGZ-UHFFFAOYSA-N 0 0 471.557 5.490 40 30 JKEBRN Cc1cccc(COc2ccccc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 ZINC000409291872 570194211 /nfs/dbraw/zinc/19/42/11/570194211.db2.gz YTENGLCLVDOFBL-UHFFFAOYSA-N 0 0 462.347 5.237 40 30 JKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(C)c(N4CCCC4)cc3C)cc21 ZINC000409291902 570194219 /nfs/dbraw/zinc/19/42/19/570194219.db2.gz DVFXLFYUINRDFK-UHFFFAOYSA-N 0 0 492.579 5.918 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1O[C@@H](C)CC ZINC000409292280 570194277 /nfs/dbraw/zinc/19/42/77/570194277.db2.gz SSSQPSZPJPQWOE-ZDUSSCGKSA-N 0 0 492.801 5.443 40 30 JKEBRN CC[C@H](C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409292386 570194323 /nfs/dbraw/zinc/19/43/23/570194323.db2.gz GNVBNKTVKKIPNW-KRWDZBQOSA-N 0 0 471.944 6.523 40 30 JKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N4CCCCCC4)o3)cc21 ZINC000409292510 570194337 /nfs/dbraw/zinc/19/43/37/570194337.db2.gz UKKASQOEWQQTPG-UHFFFAOYSA-N 0 0 482.540 5.674 40 30 JKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccccc1C(F)(F)F ZINC000409292487 570194355 /nfs/dbraw/zinc/19/43/55/570194355.db2.gz UGWZAGJZUMGFON-UHFFFAOYSA-N 0 0 461.365 5.983 40 30 JKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc([N+](=O)[O-])c3OC(C)C)cc21 ZINC000409292864 570194412 /nfs/dbraw/zinc/19/44/12/570194412.db2.gz IICRNVDNXDGDIF-UHFFFAOYSA-N 0 0 498.495 5.396 40 30 JKEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)ccc1OC(C)C ZINC000409292868 570194431 /nfs/dbraw/zinc/19/44/31/570194431.db2.gz IIGRRWGTKMSYBB-UHFFFAOYSA-N 0 0 481.474 5.760 40 30 JKEBRN CC[C@H](C)Oc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC000409293224 570194509 /nfs/dbraw/zinc/19/45/09/570194509.db2.gz HHALLYYTHHALLZ-HNNXBMFYSA-N 0 0 486.410 5.525 40 30 JKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409293367 570194564 /nfs/dbraw/zinc/19/45/64/570194564.db2.gz KGYUCFWZEIGDGU-UHFFFAOYSA-N 0 0 489.978 6.698 40 30 JKEBRN CC(=O)Oc1c(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1Cl ZINC000409293215 570194573 /nfs/dbraw/zinc/19/45/73/570194573.db2.gz JQTCHROIBBWAQY-UHFFFAOYSA-N 0 0 497.176 5.397 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Sc1ccccc1 ZINC000409293199 570194580 /nfs/dbraw/zinc/19/45/80/570194580.db2.gz XEVWNCTWDXBBCB-UHFFFAOYSA-N 0 0 450.361 5.501 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000409293179 570194599 /nfs/dbraw/zinc/19/45/99/570194599.db2.gz JLAFMCXUWRDMRP-UHFFFAOYSA-N 0 0 452.602 6.351 40 30 JKEBRN Cc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409293499 570194761 /nfs/dbraw/zinc/19/47/61/570194761.db2.gz IMLCUUSPFDYMTO-UHFFFAOYSA-N 0 0 492.598 6.777 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409294158 570194787 /nfs/dbraw/zinc/19/47/87/570194787.db2.gz NZAPBDLJONXYNU-UHFFFAOYSA-N 0 0 468.557 5.463 40 30 JKEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(C)(C)C ZINC000409294051 570194802 /nfs/dbraw/zinc/19/48/02/570194802.db2.gz KUHHNCVYFONAEE-UHFFFAOYSA-N 0 0 481.552 6.125 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N3CCCC3)cc2)cc1C(C)C ZINC000409294094 570194804 /nfs/dbraw/zinc/19/48/04/570194804.db2.gz NMYZVLZDDJYXOT-UHFFFAOYSA-N 0 0 494.639 6.376 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000409294335 570194828 /nfs/dbraw/zinc/19/48/28/570194828.db2.gz OKIOPKYJGJQPDY-HNNXBMFYSA-N 0 0 472.383 5.180 40 30 JKEBRN C=CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc1[N+](=O)[O-] ZINC000409294296 570194841 /nfs/dbraw/zinc/19/48/41/570194841.db2.gz ODTIVNGKYCNCPU-UHFFFAOYSA-N 0 0 496.479 5.174 40 30 JKEBRN CC(=O)n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c2ccccc21 ZINC000409294258 570194861 /nfs/dbraw/zinc/19/48/61/570194861.db2.gz ATXLPOBJLSJEGO-UHFFFAOYSA-N 0 0 480.911 5.960 40 30 JKEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)c1OC(C)C ZINC000409294223 570194862 /nfs/dbraw/zinc/19/48/62/570194862.db2.gz ALIAGSPMTQSXHC-UHFFFAOYSA-N 0 0 487.943 6.141 40 30 JKEBRN O=C1/C(=C/c2ccccc2I)SC(=Nc2ccccc2)N1Cc1cccnc1 ZINC000408550297 570194880 /nfs/dbraw/zinc/19/48/80/570194880.db2.gz FQOSUUFMYBDPSC-MJBUPYINSA-N 0 0 497.361 5.490 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c(C)c1 ZINC000409294528 570194909 /nfs/dbraw/zinc/19/49/09/570194909.db2.gz MNXWWEVXDUWEHS-UHFFFAOYSA-N 0 0 488.341 5.771 40 30 JKEBRN C=CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OCC ZINC000409294568 570194919 /nfs/dbraw/zinc/19/49/19/570194919.db2.gz BGWGJGCGDSFIEZ-UHFFFAOYSA-N 0 0 484.394 5.302 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1c(C)cccc1C ZINC000409294674 570194938 /nfs/dbraw/zinc/19/49/38/570194938.db2.gz CCHSDWRSGIMLBZ-UHFFFAOYSA-N 0 0 452.602 6.351 40 30 JKEBRN C#CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OCC ZINC000409294612 570194966 /nfs/dbraw/zinc/19/49/66/570194966.db2.gz BKLQFNJSUIBETI-UHFFFAOYSA-N 0 0 463.493 5.103 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1I ZINC000408550401 570194973 /nfs/dbraw/zinc/19/49/73/570194973.db2.gz GXFCZUODIUGBMC-AUWJEWJLSA-N 0 0 475.138 5.490 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)cc1C ZINC000409295606 570195186 /nfs/dbraw/zinc/19/51/86/570195186.db2.gz FJMUZSMKGSXYHU-UHFFFAOYSA-N 0 0 488.341 5.771 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000409295580 570195190 /nfs/dbraw/zinc/19/51/90/570195190.db2.gz FGNYUCNVQBVEPU-UHFFFAOYSA-N 0 0 486.528 5.303 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000409296225 570195274 /nfs/dbraw/zinc/19/52/74/570195274.db2.gz QBAUQXMPCOGOMU-UHFFFAOYSA-N 0 0 497.824 6.226 40 30 JKEBRN CC(C)n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000409296136 570195276 /nfs/dbraw/zinc/19/52/76/570195276.db2.gz SHNYCJWZGLSMIG-UHFFFAOYSA-N 0 0 474.486 6.500 40 30 JKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OC)c4ccccc34)cc21 ZINC000409296074 570195299 /nfs/dbraw/zinc/19/52/99/570195299.db2.gz HALPLFBCIXCUCQ-UHFFFAOYSA-N 0 0 475.504 5.862 40 30 JKEBRN CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-] ZINC000409296191 570195318 /nfs/dbraw/zinc/19/53/18/570195318.db2.gz PYMQRLSEZCCGCT-UHFFFAOYSA-N 0 0 488.887 5.652 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccn2-c2ccccc2)cc1C(C)C ZINC000409295824 570195325 /nfs/dbraw/zinc/19/53/25/570195325.db2.gz ROHDXDHFICXZQE-UHFFFAOYSA-N 0 0 490.607 6.567 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)n1C1CCCC1 ZINC000409295823 570195331 /nfs/dbraw/zinc/19/53/31/570195331.db2.gz GFHFTRCMBHEBKM-UHFFFAOYSA-N 0 0 478.518 6.498 40 30 JKEBRN CC[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409295908 570195332 /nfs/dbraw/zinc/19/53/32/570195332.db2.gz GKRNTNVQDGJYHS-SFHVURJKSA-N 0 0 497.551 5.886 40 30 JKEBRN CCN(CC)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000409296300 570195400 /nfs/dbraw/zinc/19/54/00/570195400.db2.gz SUOCHFSWEDPBRJ-UHFFFAOYSA-N 0 0 482.628 6.232 40 30 JKEBRN CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)cc1OC ZINC000409296266 570195404 /nfs/dbraw/zinc/19/54/04/570195404.db2.gz SQONNCQTWKWBMM-UHFFFAOYSA-N 0 0 485.584 5.793 40 30 JKEBRN C#CCOc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409296474 570195413 /nfs/dbraw/zinc/19/54/13/570195413.db2.gz ILIVCMSLKNFODN-UHFFFAOYSA-N 0 0 483.911 5.366 40 30 JKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OCC#N)cc1C(C)C ZINC000409296520 570195432 /nfs/dbraw/zinc/19/54/32/570195432.db2.gz IBRJXNPZQAYALO-UHFFFAOYSA-N 0 0 466.541 5.289 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(F)c2)c1 ZINC000409296596 570195471 /nfs/dbraw/zinc/19/54/71/570195471.db2.gz IOHCXQMJGBEZMF-UHFFFAOYSA-N 0 0 480.337 5.322 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OC)c(C)c2)cc1C(C)C ZINC000409296453 570195485 /nfs/dbraw/zinc/19/54/85/570195485.db2.gz IGIAZSGCTATLBE-UHFFFAOYSA-N 0 0 469.585 6.093 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000409296697 570195568 /nfs/dbraw/zinc/19/55/68/570195568.db2.gz RADVJFZWWZLCHZ-UHFFFAOYSA-N 0 0 467.834 6.364 40 30 JKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cn(C(C)C)c3ccccc23)cc1C(C)C ZINC000409296619 570195623 /nfs/dbraw/zinc/19/56/23/570195623.db2.gz 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489.757 5.651 40 30 JKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000408560113 570200235 /nfs/dbraw/zinc/20/02/35/570200235.db2.gz AWPKWIPERQDDFZ-UHFFFAOYSA-N 0 0 483.707 6.448 40 30 JKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000408560192 570200245 /nfs/dbraw/zinc/20/02/45/570200245.db2.gz DBLZJCRMWXHZPP-UHFFFAOYSA-N 0 0 451.434 5.470 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)CC ZINC000409316401 570200305 /nfs/dbraw/zinc/20/03/05/570200305.db2.gz QAJCIGYPHITUAM-CABCVRRESA-N 0 0 490.829 6.385 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000409317268 570200412 /nfs/dbraw/zinc/20/04/12/570200412.db2.gz UBLIBPSEXRRDSX-UHFFFAOYSA-N 0 0 477.406 5.710 40 30 JKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000409316875 570200421 /nfs/dbraw/zinc/20/04/21/570200421.db2.gz RJEMTNAQRULARW-UUYOSTAYSA-N 0 0 478.367 6.238 40 30 JKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000408560486 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JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC)c(OC)c1 ZINC000409318263 570200639 /nfs/dbraw/zinc/20/06/39/570200639.db2.gz VHXKTLGWXLKLKU-GFCCVEGCSA-N 0 0 478.774 5.225 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccccc1C(F)(F)F ZINC000409318645 570200694 /nfs/dbraw/zinc/20/06/94/570200694.db2.gz ZFTLJNOQBCIXRN-UHFFFAOYSA-N 0 0 478.312 6.108 40 30 JKEBRN CC[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1Cl ZINC000409319294 570200741 /nfs/dbraw/zinc/20/07/41/570200741.db2.gz DAKAWUPNUHOWPO-GJZGRUSLSA-N 0 0 490.829 6.385 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(OCC)cc1 ZINC000409318706 570200755 /nfs/dbraw/zinc/20/07/55/570200755.db2.gz XTZJFFYVVPQZQV-UHFFFAOYSA-N 0 0 479.378 5.183 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(Br)c1 ZINC000409318755 570200778 /nfs/dbraw/zinc/20/07/78/570200778.db2.gz XXURUWALSZPADL-NSHDSACASA-N 0 0 479.172 5.023 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(O)cc2)c1C ZINC000409318986 570200788 /nfs/dbraw/zinc/20/07/88/570200788.db2.gz ZJECNEXKGARRPB-UHFFFAOYSA-N 0 0 479.378 5.107 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC#N)ccc2ccccc21 ZINC000409319125 570200811 /nfs/dbraw/zinc/20/08/11/570200811.db2.gz ALZCCLYFGLVZRH-MRXNPFEDSA-N 0 0 489.373 5.610 40 30 JKEBRN CCCCCCCc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1CC ZINC000408561065 570200829 /nfs/dbraw/zinc/20/08/29/570200829.db2.gz XOAVLWVOEDSECX-UHFFFAOYSA-N 0 0 450.652 5.809 40 30 JKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000408561033 570200840 /nfs/dbraw/zinc/20/08/40/570200840.db2.gz VUXCDDREKBENEE-UHFFFAOYSA-N 0 0 462.663 5.975 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409319814 570200994 /nfs/dbraw/zinc/20/09/94/570200994.db2.gz MFVPBZLNGABLIU-UHFFFAOYSA-N 0 0 453.167 5.691 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Sc2ccccc2)cc1 ZINC000409319559 570200870 /nfs/dbraw/zinc/20/08/70/570200870.db2.gz IGUOSHJOXLNZBL-QGZVFWFLSA-N 0 0 492.442 6.706 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000409320161 570200967 /nfs/dbraw/zinc/20/09/67/570200967.db2.gz CDSUJJLXHBEXCK-INIZCTEOSA-N 0 0 486.410 5.570 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(Cc2ccccc2)c1C ZINC000409319910 570200996 /nfs/dbraw/zinc/20/09/96/570200996.db2.gz NOFQBTJDGJVTME-UHFFFAOYSA-N 0 0 491.433 5.850 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@H](C)CC ZINC000409319915 570201000 /nfs/dbraw/zinc/20/10/00/570201000.db2.gz NPCFUSOPUVTUDI-CQSZACIVSA-N 0 0 476.802 5.824 40 30 JKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409319890 570201005 /nfs/dbraw/zinc/20/10/05/570201005.db2.gz NGVKBOVXDIQCBC-QQXSKIMKSA-N 0 0 473.594 6.556 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)cc1 ZINC000409320871 570201124 /nfs/dbraw/zinc/20/11/24/570201124.db2.gz FSVYOKIMDVITCB-INIZCTEOSA-N 0 0 456.384 5.561 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(C)(C)C)c2ccccc12 ZINC000409321684 570201212 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CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000409322952 570201485 /nfs/dbraw/zinc/20/14/85/570201485.db2.gz LZFYHTMNBQNRAJ-QGZVFWFLSA-N 0 0 484.397 6.861 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OC(C)C ZINC000409323111 570201573 /nfs/dbraw/zinc/20/15/73/570201573.db2.gz NGIMRLNGRBRMEW-CQSZACIVSA-N 0 0 487.354 5.250 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1F ZINC000409323119 570201590 /nfs/dbraw/zinc/20/15/90/570201590.db2.gz NIYODRDNBZOQFC-HNNXBMFYSA-N 0 0 467.342 5.485 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(F)c(N2CCCC2)cc1C ZINC000409323244 570201598 /nfs/dbraw/zinc/20/15/98/570201598.db2.gz ZYJINIDZKOVHRI-UHFFFAOYSA-N 0 0 485.401 5.432 40 30 JKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408562155 570201627 /nfs/dbraw/zinc/20/16/27/570201627.db2.gz NMOGCIGWKNOUKG-UHFFFAOYSA-N 0 0 482.531 5.958 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC)cc1C ZINC000409324078 570201670 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JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F ZINC000409325554 570202034 /nfs/dbraw/zinc/20/20/34/570202034.db2.gz ZXJBKCBUIXAZFN-LBPRGKRZSA-N 0 0 452.274 5.574 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F ZINC000409325553 570202045 /nfs/dbraw/zinc/20/20/45/570202045.db2.gz ZXJBKCBUIXAZFN-GFCCVEGCSA-N 0 0 452.274 5.574 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1C ZINC000409325435 570202064 /nfs/dbraw/zinc/20/20/64/570202064.db2.gz YMOXBJDJJRZBFO-UHFFFAOYSA-N 0 0 454.368 5.406 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(C)c(C)c1 ZINC000409326590 570202264 /nfs/dbraw/zinc/20/22/64/570202264.db2.gz MDWGOGBFTMSFCC-INIZCTEOSA-N 0 0 477.406 5.962 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000409326417 570202301 /nfs/dbraw/zinc/20/23/01/570202301.db2.gz KDKKIWKYIGTHST-UHFFFAOYSA-N 0 0 490.401 5.881 40 30 JKEBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000409327812 570202619 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C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408565208 570203269 /nfs/dbraw/zinc/20/32/69/570203269.db2.gz BHQQOHIHMXUZOB-OAQYLSRUSA-N 0 0 474.970 5.303 40 30 JKEBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1ccc(F)cc1 ZINC000408565510 570203361 /nfs/dbraw/zinc/20/33/61/570203361.db2.gz CCVXKOFGEXWFLH-DEOSSOPVSA-N 0 0 489.532 5.276 40 30 JKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1Cl ZINC000408565620 570203432 /nfs/dbraw/zinc/20/34/32/570203432.db2.gz COOXXDZUKQDJCI-NRFANRHFSA-N 0 0 474.970 5.303 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(Cl)c1 ZINC000409330491 570203912 /nfs/dbraw/zinc/20/39/12/570203912.db2.gz ATJYYJBLBHPGAL-AWEZNQCLSA-N 0 0 476.802 5.995 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000409330825 570204075 /nfs/dbraw/zinc/20/40/75/570204075.db2.gz MESBHMXVVIUIRB-ODLFYWEKSA-N 0 0 461.992 5.500 40 30 JKEBRN 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C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S ZINC000408572696 570205026 /nfs/dbraw/zinc/20/50/26/570205026.db2.gz HRPPMSYAFMJCDW-BOPFTXTBSA-N 0 0 479.410 5.398 40 30 JKEBRN C=CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Br ZINC000408574003 570205301 /nfs/dbraw/zinc/20/53/01/570205301.db2.gz UJJWFJDATZGERI-OAHLLOKOSA-N 0 0 480.156 5.666 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408573960 570205311 /nfs/dbraw/zinc/20/53/11/570205311.db2.gz UHHGWQPVYVJDMN-FQEVSTJZSA-N 0 0 489.395 5.322 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)SC1=S ZINC000408574698 570205474 /nfs/dbraw/zinc/20/54/74/570205474.db2.gz MIBNFNFGFCXBJK-ODLFYWEKSA-N 0 0 458.992 5.053 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408574737 570205480 /nfs/dbraw/zinc/20/54/80/570205480.db2.gz CISMGQGEAPXMKE-UHFFFAOYSA-N 0 0 496.346 5.872 40 30 JKEBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3C#N)cc2)n1-c1cccc(C)c1 ZINC000408575016 570205589 /nfs/dbraw/zinc/20/55/89/570205589.db2.gz VMKYMPLYDDVPRE-VWLOTQADSA-N 0 0 485.569 5.445 40 30 JKEBRN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Cl)cc1Cl ZINC000408575401 570205685 /nfs/dbraw/zinc/20/56/85/570205685.db2.gz KXJDJVAXLKFFNK-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1C#N ZINC000408575540 570205696 /nfs/dbraw/zinc/20/56/96/570205696.db2.gz WLXGTMPCUKORJZ-JOCHJYFZSA-N 0 0 475.932 6.079 40 30 JKEBRN Cc1cc(Br)ccc1NC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000408576529 570205962 /nfs/dbraw/zinc/20/59/62/570205962.db2.gz WBMRKJYBKMWNKI-UHFFFAOYSA-N 0 0 476.326 5.238 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408576655 570205963 /nfs/dbraw/zinc/20/59/63/570205963.db2.gz XZUPWGLXXOIFHK-JOCHJYFZSA-N 0 0 476.330 5.790 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408576660 570205987 /nfs/dbraw/zinc/20/59/87/570205987.db2.gz XZUPWGLXXOIFHK-QFIPXVFZSA-N 0 0 476.330 5.790 40 30 JKEBRN Cc1cc(Br)ccc1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000408576727 570206022 /nfs/dbraw/zinc/20/60/22/570206022.db2.gz ZWSUMKWDLPBTDO-UHFFFAOYSA-N 0 0 476.326 5.238 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccncc4)n3)sc2C1 ZINC000408580794 570206618 /nfs/dbraw/zinc/20/66/18/570206618.db2.gz DZAXHYPXQAFEFH-HNNXBMFYSA-N 0 0 466.636 5.072 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccn4)o3)sc2C1 ZINC000408581132 570206684 /nfs/dbraw/zinc/20/66/84/570206684.db2.gz GJUNUXWFLBCLAA-CQSZACIVSA-N 0 0 467.620 5.337 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C)n3)CCC4)sc2C1 ZINC000408581179 570206719 /nfs/dbraw/zinc/20/67/19/570206719.db2.gz HGKWHNUWOSTQRY-HNNXBMFYSA-N 0 0 454.665 5.479 40 30 JKEBRN N#Cc1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408583365 570207309 /nfs/dbraw/zinc/20/73/09/570207309.db2.gz UAYRPDFNRWKAPL-UHFFFAOYSA-N 0 0 480.543 5.385 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccccc1C ZINC000408586381 570208152 /nfs/dbraw/zinc/20/81/52/570208152.db2.gz BPBASHHXLAWWKT-LKGWIEHISA-N 0 0 485.587 5.629 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Br)cc1 ZINC000408587757 570208412 /nfs/dbraw/zinc/20/84/12/570208412.db2.gz AFHCXEVALDRYID-VULFUBBASA-N 0 0 451.320 5.459 40 30 JKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1Cl ZINC000408587975 570208431 /nfs/dbraw/zinc/20/84/31/570208431.db2.gz AUAKHPNSFRROEU-LQKURTRISA-N 0 0 480.948 6.505 40 30 JKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408587983 570208437 /nfs/dbraw/zinc/20/84/37/570208437.db2.gz AUJKNQNYMMEPJA-MUFRIFMGSA-N 0 0 489.959 6.785 40 30 JKEBRN COc1cc(/C=N\OCc2ccccc2C#N)cc(Br)c1OCc1ccccc1Cl ZINC000408587807 570208475 /nfs/dbraw/zinc/20/84/75/570208475.db2.gz AGXCSVCVDMFYJV-WKIKZPBSSA-N 0 0 485.765 6.112 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C)cc1 ZINC000408588546 570208541 /nfs/dbraw/zinc/20/85/41/570208541.db2.gz BUDWIBNVSGUPKZ-DHRITJCHSA-N 0 0 485.334 5.804 40 30 JKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000408588505 570208585 /nfs/dbraw/zinc/20/85/85/570208585.db2.gz BQWHRYAUNLTZCE-KBVAKVRCSA-N 0 0 453.517 6.235 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000408589156 570208685 /nfs/dbraw/zinc/20/86/85/570208685.db2.gz KUFRBOHZNNBMQH-IEFLJDMPSA-N 0 0 485.587 5.629 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408589066 570208716 /nfs/dbraw/zinc/20/87/16/570208716.db2.gz CVEGXMNYUXAUKL-RPPGKUMJSA-N 0 0 456.285 5.903 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N\OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408589283 570208723 /nfs/dbraw/zinc/20/87/23/570208723.db2.gz DOSRDLAFIPISNL-JMIUGGIZSA-N 0 0 470.117 5.235 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccccc1Cl ZINC000408589281 570208733 /nfs/dbraw/zinc/20/87/33/570208733.db2.gz LDORJFOEVGXCNJ-HNSNBQBZSA-N 0 0 475.979 8.297 40 30 JKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408589245 570208772 /nfs/dbraw/zinc/20/87/72/570208772.db2.gz DKFSSWZTISLKJL-CVKSISIWSA-N 0 0 477.473 5.370 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408589600 570208812 /nfs/dbraw/zinc/20/88/12/570208812.db2.gz DZCMMSDKMPYPQU-UVHMKAGCSA-N 0 0 485.765 6.112 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408590177 570208962 /nfs/dbraw/zinc/20/89/62/570208962.db2.gz GOMWYTCYDNILIZ-RPPGKUMJSA-N 0 0 456.285 5.903 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408590271 570208997 /nfs/dbraw/zinc/20/89/97/570208997.db2.gz HBRWYGLACACBGK-BHGWPJFGSA-N 0 0 476.272 5.940 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408590785 570209042 /nfs/dbraw/zinc/20/90/42/570209042.db2.gz QLAPRSFMXQWSDZ-NDZAJKAJSA-N 0 0 478.508 5.981 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000408590746 570209093 /nfs/dbraw/zinc/20/90/93/570209093.db2.gz HSOGATJVJOCCCP-FJEPWZHXSA-N 0 0 461.348 7.148 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N\OCc2ccccc2C#N)cc1Br ZINC000408591160 570209184 /nfs/dbraw/zinc/20/91/84/570209184.db2.gz ITOFJKPFZRZTDJ-JJFYIABZSA-N 0 0 450.130 5.199 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000408591879 570209302 /nfs/dbraw/zinc/20/93/02/570209302.db2.gz KXXMLLMKZUAOOZ-WYMPLXKRSA-N 0 0 475.726 6.140 40 30 JKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408592324 570209470 /nfs/dbraw/zinc/20/94/70/570209470.db2.gz MEKVGOLLGBBOLQ-JVWAILMASA-N 0 0 491.500 5.760 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1 ZINC000408592583 570209481 /nfs/dbraw/zinc/20/94/81/570209481.db2.gz MTEKONCJOZIHJK-FSJBWODESA-N 0 0 486.278 5.395 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000408592719 570209482 /nfs/dbraw/zinc/20/94/82/570209482.db2.gz NPYSUOMXBHQGFS-OPEKNORGSA-N 0 0 493.716 6.280 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408593041 570209646 /nfs/dbraw/zinc/20/96/46/570209646.db2.gz OIYMDOPHBRRDKN-ZVHZXABRSA-N 0 0 451.435 5.031 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)c1 ZINC000408593011 570209647 /nfs/dbraw/zinc/20/96/47/570209647.db2.gz NXSRKHGCJIDLET-JFLMPSFJSA-N 0 0 491.341 6.640 40 30 JKEBRN N#Cc1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1C#N ZINC000020509447 126118302 /nfs/dbraw/zinc/11/83/02/126118302.db2.gz GLCWESUUGMBUNF-UHFFFAOYSA-N 0 0 462.552 7.605 40 30 JKEBRN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N(C)C ZINC000001105989 194025674 /nfs/dbraw/zinc/02/56/74/194025674.db2.gz CLNYKCSNEBWTDF-HHHXNRCGSA-N 0 0 470.569 6.218 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1OCc1ccccc1 ZINC000001134718 194041321 /nfs/dbraw/zinc/04/13/21/194041321.db2.gz RQGYLJXDHNPZEM-ADCSMLMYSA-N 0 0 468.553 5.497 40 30 JKEBRN CC(C)(C)c1ccc2c(c1)[C@@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1 ZINC000001564308 194127991 /nfs/dbraw/zinc/12/79/91/194127991.db2.gz LWUZJNVYLHZNBG-SZAHLOSFSA-N 0 0 468.596 5.873 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c([N+](=O)[O-])cc1OC ZINC000001640475 194130390 /nfs/dbraw/zinc/13/03/90/194130390.db2.gz FYWWWZZORSDQBV-UHFFFAOYSA-N 0 0 488.540 5.538 40 30 JKEBRN Cc1ccc(S(=O)(=O)C(C#N)(Cc2c[nH]c3ccccc23)Cc2c[nH]c3ccccc23)cc1 ZINC000001582526 194128684 /nfs/dbraw/zinc/12/86/84/194128684.db2.gz INKUZADAROQRNL-UHFFFAOYSA-N 0 0 453.567 5.479 40 30 JKEBRN CC(/C=C/C(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C)=C\c1ccccc1 ZINC000001626277 194129824 /nfs/dbraw/zinc/12/98/24/194129824.db2.gz FGKMUICUBCAKMJ-RFBAJPLNSA-N 0 0 487.628 7.814 40 30 in-vivo JKEBRN Cc1ccc(S(=O)(=O)O[C@H](c2ccc(Cl)cc2Cl)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000001635308 194130034 /nfs/dbraw/zinc/13/00/34/194130034.db2.gz SIEHHOUPNOKFPY-NHCUHLMSSA-N 0 0 463.338 5.660 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1O ZINC000003068806 194224049 /nfs/dbraw/zinc/22/40/49/194224049.db2.gz NCOUHXBNRBPOQW-RWPZCVJISA-N 0 0 493.401 7.410 40 30 JKEBRN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1 ZINC000003072521 194224055 /nfs/dbraw/zinc/22/40/55/194224055.db2.gz HFRAZEZJXRQPCA-FSJBWODESA-N 0 0 454.267 5.864 40 30 JKEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000003073369 194224120 /nfs/dbraw/zinc/22/41/20/194224120.db2.gz JMYJEXWDZWQNCJ-HXUWFJFHSA-N 0 0 486.362 5.200 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc2cccnc21 ZINC000003100976 194225845 /nfs/dbraw/zinc/22/58/45/194225845.db2.gz LXLOJTNYALNCJD-VFLNYLIXSA-N 0 0 487.275 7.265 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(Cl)cc1Cl ZINC000003146071 194231990 /nfs/dbraw/zinc/23/19/90/194231990.db2.gz HNKSTSOKYCTYPP-OKCVXOCRSA-N 0 0 487.342 7.771 40 30 JKEBRN Cc1ccc(N=C2O[C@@](c3ccc(C)cc3)(C(F)(F)F)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000003173416 194234453 /nfs/dbraw/zinc/23/44/53/194234453.db2.gz RRLMFKCQTMZZPP-QVYNVJOCSA-N 0 0 469.532 6.837 40 30 JKEBRN CC(C)COc1cccc(OCC(=O)/N=C2\N=C3C=CC(Br)=CN3Cc3ccccc32)c1 ZINC000003189845 194236658 /nfs/dbraw/zinc/23/66/58/194236658.db2.gz BZYRFKNQJLQHNI-FVDSYPCUSA-N 0 0 494.389 5.094 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1O ZINC000003190938 194236901 /nfs/dbraw/zinc/23/69/01/194236901.db2.gz PRCWRCKYGYGZLC-UVHMKAGCSA-N 0 0 489.325 6.581 40 30 JKEBRN Fc1ccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)c(Cl)c1 ZINC000003113915 194227289 /nfs/dbraw/zinc/22/72/89/194227289.db2.gz 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CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5c(c4)oc4ccccc45)o3)sc2c1 ZINC000003667028 194357151 /nfs/dbraw/zinc/35/71/51/194357151.db2.gz BOHZWPONRWBWTK-JFLMPSFJSA-N 0 0 470.575 8.089 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)/C=C/c5cccc([N+](=O)[O-])c5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004410553 194389240 /nfs/dbraw/zinc/38/92/40/194389240.db2.gz NJTDPGNBYCUNCW-FAQSQEHMSA-N 0 0 491.628 6.688 40 30 JKEBRN CC1=CC(O)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000004266923 194386657 /nfs/dbraw/zinc/38/66/57/194386657.db2.gz OIEKVVDJPPURMU-SKNNEBJUSA-N 0 0 488.709 6.392 40 30 JKEBRN Cc1cccc(F)c1C(=O)/C=C(\O[C@@]1(C#Cc2ccccc2)Cc2ccccc21)c1ccccc1 ZINC000004273517 194386828 /nfs/dbraw/zinc/38/68/28/194386828.db2.gz SRNWPJYJJSSVAL-AYKFIEGGSA-N 0 0 458.532 6.878 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000004762587 194396206 /nfs/dbraw/zinc/39/62/06/194396206.db2.gz 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JKEBRN C=CCn1c(C)c(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 ZINC000058826645 195380761 /nfs/dbraw/zinc/38/07/61/195380761.db2.gz RZTYNFGTNSULQC-RHANQZHGSA-N 0 0 457.599 6.350 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 ZINC000058826717 195380809 /nfs/dbraw/zinc/38/08/09/195380809.db2.gz VKFGJWBYYGILGR-NUJZUDFISA-N 0 0 499.419 7.467 40 30 JKEBRN O=C1C(c2ccc(Cl)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(Cl)cc1 ZINC000058962574 195386591 /nfs/dbraw/zinc/38/65/91/195386591.db2.gz GSVDNDUTJHQKQR-UHFFFAOYSA-N 0 0 453.368 8.098 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000059102799 195387376 /nfs/dbraw/zinc/38/73/76/195387376.db2.gz FZGWFCRQMILUTK-MHZLTWQESA-N 0 0 477.645 7.194 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000059104194 195387647 /nfs/dbraw/zinc/38/76/47/195387647.db2.gz NUKOTBVLKKRECB-MKIIFEJHSA-N 0 0 479.429 6.283 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1CC 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UBKDTEBRQWFICC-NKXCCORXSA-N 0 0 464.631 6.013 40 30 JKEBRN Cc1c(Br)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccc1 ZINC000059104700 195388282 /nfs/dbraw/zinc/38/82/82/195388282.db2.gz OHPZAAVPTPHRJS-FDAWAROLSA-N 0 0 487.485 8.075 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccc(Br)s3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104715 195388307 /nfs/dbraw/zinc/38/83/07/195388307.db2.gz AZEBNITXPWZDDR-BNUIPMERSA-N 0 0 497.483 7.444 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1CC ZINC000059104800 195388352 /nfs/dbraw/zinc/38/83/52/195388352.db2.gz GKEPZZYDVVSJQJ-HSVKZCTASA-N 0 0 453.366 6.024 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000059105101 195388504 /nfs/dbraw/zinc/38/85/04/195388504.db2.gz YLAMSIUDOZLKMA-ZXQIJLNISA-N 0 0 471.022 5.968 40 30 JKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3c(C)n(-c4ccccc4)c(C)c3Br)S2)cc1 ZINC000059104971 195388592 /nfs/dbraw/zinc/38/85/92/195388592.db2.gz BCGVAHWFHJJAHF-STZFKDTASA-N 0 0 496.430 6.147 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000059105024 195388603 /nfs/dbraw/zinc/38/86/03/195388603.db2.gz KABBKNYLNMZREC-KFLOGIKRSA-N 0 0 450.604 5.705 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000059105712 195388728 /nfs/dbraw/zinc/38/87/28/195388728.db2.gz PODZWVJSOSMEAJ-LPYMAVHISA-N 0 0 452.482 5.444 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OCC)c1OCc1ccccc1 ZINC000059105783 195388745 /nfs/dbraw/zinc/38/87/45/195388745.db2.gz HYQRMSNWYQJRGO-KOEQRZSOSA-N 0 0 488.584 6.424 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059105892 195388764 /nfs/dbraw/zinc/38/87/64/195388764.db2.gz YZFOEUSUWUVZLC-WGOQTCKBSA-N 0 0 484.552 6.458 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000059105867 195388779 /nfs/dbraw/zinc/38/87/79/195388779.db2.gz IEWALSPUGYEWSX-RGVLZGJSSA-N 0 0 491.346 6.742 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000059105797 195388840 /nfs/dbraw/zinc/38/88/40/195388840.db2.gz APGDEYFTHAFFAW-OEAKJJBVSA-N 0 0 466.509 5.834 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2Br)c1 ZINC000059105846 195388854 /nfs/dbraw/zinc/38/88/54/195388854.db2.gz ATFLUUBCOBZNEN-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000059106004 195388973 /nfs/dbraw/zinc/38/89/73/195388973.db2.gz OKWDJZVAAKIRNV-FOKLQQMPSA-N 0 0 496.394 7.027 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059105940 195388996 /nfs/dbraw/zinc/38/89/96/195388996.db2.gz CEZGUCBKQJTMSV-OEAKJJBVSA-N 0 0 493.516 5.603 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000059145750 195393127 /nfs/dbraw/zinc/39/31/27/195393127.db2.gz PUFNFXGHNJMZBJ-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000059176053 195393287 /nfs/dbraw/zinc/39/32/87/195393287.db2.gz ULLOWLJAXIJRPC-RGVLZGJSSA-N 0 0 459.423 6.384 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000059176519 195393619 /nfs/dbraw/zinc/39/36/19/195393619.db2.gz DCHQVBGKHOAZBF-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000059193498 195393992 /nfs/dbraw/zinc/39/39/92/195393992.db2.gz HZULYZRXAASHRW-UHFFFAOYSA-N 0 0 477.988 6.019 40 30 JKEBRN COc1cc(Br)cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)c1O ZINC000059224171 195395100 /nfs/dbraw/zinc/39/51/00/195395100.db2.gz OZBCXTFMRAMYBG-UUASQNMZSA-N 0 0 453.745 5.017 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000059198948 195395111 /nfs/dbraw/zinc/39/51/11/195395111.db2.gz GRMPTKNUFOHIJS-NDZAJKAJSA-N 0 0 466.606 7.209 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000059224194 195395130 /nfs/dbraw/zinc/39/51/30/195395130.db2.gz MBCZPYHERJUUMT-UUYOSTAYSA-N 0 0 479.945 6.027 40 30 JKEBRN 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Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3ccccc3Cl)o2)c1C ZINC000016362153 524699695 /nfs/dbraw/zinc/69/96/95/524699695.db2.gz UNFXYVMUWVFFAP-ROTLSHHCSA-N 0 0 459.897 5.733 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000022562298 524720962 /nfs/dbraw/zinc/72/09/62/524720962.db2.gz RDTZJOXMOPXLRY-GFCCVEGCSA-N 0 0 455.992 5.785 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000022748438 524722254 /nfs/dbraw/zinc/72/22/54/524722254.db2.gz CDDUCQICGXNTIG-LLVKDONJSA-N 0 0 490.437 6.438 40 30 JKEBRN COc1ccccc1[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(OC(C)C)cc1 ZINC000026503587 524788409 /nfs/dbraw/zinc/78/84/09/524788409.db2.gz RWAGXJQVVCMBBC-XMMPIXPASA-N 0 0 488.653 6.845 40 30 JKEBRN COc1ccc(OC)c(C=Nn2c(SCC(=O)c3ccc(C)cc3)nnc2C2CCCCC2)c1 ZINC000009581145 524801808 /nfs/dbraw/zinc/80/18/08/524801808.db2.gz JOVLDFHDAFGFGT-JVWAILMASA-N 0 0 478.618 5.509 40 30 JKEBRN Cc1cc(Cl)cc(/C(CCCCCCCC/C(=N\O)c2cc(Cl)cc(C)c2O)=N/O)c1O 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554558416 /nfs/dbraw/zinc/55/84/16/554558416.db2.gz PBCICOXDOPCJBK-UHFFFAOYSA-N 0 0 488.560 5.796 40 30 JKEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008382405 554566127 /nfs/dbraw/zinc/56/61/27/554566127.db2.gz HMQZDUPWUUCPPF-ICHHFUSPSA-N 0 0 472.691 6.317 40 30 biogenic,in-vitro JKEBRN Cc1nc(SCc2noc(CSc3nc(C)c(C)c(C)c3C#N)n2)c(C#N)c(C)c1C ZINC000008780827 554677835 /nfs/dbraw/zinc/67/78/35/554677835.db2.gz UMOOZLDLNSWMFI-UHFFFAOYSA-N 0 0 450.593 5.038 40 30 JKEBRN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSC1=N[C@H]2C=CC=C[C@@H]2S1 ZINC000008781251 554678172 /nfs/dbraw/zinc/67/81/72/554678172.db2.gz ZJSWXOKLATVVPW-DYRZRGRSSA-N 0 0 466.657 5.215 40 30 JKEBRN COc1ccc(C=C2NC(=S)C(c3ccccc3)=C2O)cc1CSc1nc2ccccc2s1 ZINC000008783151 554680049 /nfs/dbraw/zinc/68/00/49/554680049.db2.gz OSMCAIXTFXSBAG-CBIIRDDDSA-N 0 0 488.659 6.222 40 30 JKEBRN 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CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OCc1ccccc1C#N ZINC000008811962 554692945 /nfs/dbraw/zinc/69/29/45/554692945.db2.gz SBUPZORSUJGQFX-CCVNUDIWSA-N 0 0 498.808 6.076 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000008811916 554692987 /nfs/dbraw/zinc/69/29/87/554692987.db2.gz CVBAGMYNEWVAET-UVHMKAGCSA-N 0 0 463.792 6.748 40 30 JKEBRN Clc1ccccc1CN/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000008811983 554693095 /nfs/dbraw/zinc/69/30/95/554693095.db2.gz BEFWSKXOWGGBEF-MUFRIFMGSA-N 0 0 479.805 6.958 40 30 JKEBRN Clc1ccccc1CN/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000008811998 554693114 /nfs/dbraw/zinc/69/31/14/554693114.db2.gz LTNJTJYWPZXANC-MZJWZYIUSA-N 0 0 452.783 6.229 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(Cl)c(Cl)c4)NC3=O)cc2)cc1 ZINC000008820772 554707662 /nfs/dbraw/zinc/70/76/62/554707662.db2.gz JFYLTRJNGZQXRF-UUYOSTAYSA-N 0 0 469.393 6.772 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc5ccccc5c4)NC3=O)cc2)cc1 ZINC000008820775 554707941 /nfs/dbraw/zinc/70/79/41/554707941.db2.gz FIXUTTOWMIEHBD-QQXSKIMKSA-N 0 0 450.563 6.619 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1 ZINC000008820862 554708087 /nfs/dbraw/zinc/70/80/87/554708087.db2.gz ZRGPRVRQDDEENI-UCQKPKSFSA-N 0 0 480.973 5.828 40 30 JKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1 ZINC000008820842 554708113 /nfs/dbraw/zinc/70/81/13/554708113.db2.gz PASDOSZONUJRMP-IWIPYMOSSA-N 0 0 495.000 6.218 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820878 554708117 /nfs/dbraw/zinc/70/81/17/554708117.db2.gz TUCMWFJJPAVFPP-HAHDFKILSA-N 0 0 464.974 6.209 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820897 554708118 /nfs/dbraw/zinc/70/81/18/554708118.db2.gz NDGTWAHDRVJNJG-UCQKPKSFSA-N 0 0 499.419 6.863 40 30 JKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000008820969 554708226 /nfs/dbraw/zinc/70/82/26/554708226.db2.gz RCMFVJMTAHVCQW-UDWIEESQSA-N 0 0 459.354 6.544 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820981 554708235 /nfs/dbraw/zinc/70/82/35/554708235.db2.gz XLDCPXDJJRCRCD-VCHYOVAHSA-N 0 0 494.197 6.908 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c(OC)c1 ZINC000008821005 554708254 /nfs/dbraw/zinc/70/82/54/554708254.db2.gz DFTIGDOCLFYPAD-RGVLZGJSSA-N 0 0 475.353 6.162 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820984 554708276 /nfs/dbraw/zinc/70/82/76/554708276.db2.gz GSUQSSQMLLECAQ-GIJQJNRQSA-N 0 0 467.736 6.938 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820986 554708281 /nfs/dbraw/zinc/70/82/81/554708281.db2.gz PFGQEJXMDYXPAH-GIJQJNRQSA-N 0 0 484.191 7.452 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821044 554708501 /nfs/dbraw/zinc/70/85/01/554708501.db2.gz DXJSGYQFTDARAM-LICLKQGHSA-N 0 0 494.197 6.908 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821046 554708541 /nfs/dbraw/zinc/70/85/41/554708541.db2.gz AIILVWKCYKUZGG-VCHYOVAHSA-N 0 0 494.197 6.908 40 30 JKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 ZINC000008821024 554708575 /nfs/dbraw/zinc/70/85/75/554708575.db2.gz XDUGZDMGVPUAQC-DEDYPNTBSA-N 0 0 453.361 6.163 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821125 554708717 /nfs/dbraw/zinc/70/87/17/554708717.db2.gz FFMBUORBDIBHPT-VCHYOVAHSA-N 0 0 460.298 6.053 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821123 554708728 /nfs/dbraw/zinc/70/87/28/554708728.db2.gz UNVBRKOUMZVHOW-LICLKQGHSA-N 0 0 460.298 6.053 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc(Br)cc1 ZINC000008821171 554708759 /nfs/dbraw/zinc/70/87/59/554708759.db2.gz VRNCLHMSQMGRLH-AUWJEWJLSA-N 0 0 461.690 6.013 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000008831558 554722663 /nfs/dbraw/zinc/72/26/63/554722663.db2.gz STOQUGKGXVICGH-GFCCVEGCSA-N 0 0 466.544 5.040 40 30 JKEBRN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000008831579 554723012 /nfs/dbraw/zinc/72/30/12/554723012.db2.gz PUQJTDLRYAWSAR-ZDUSSCGKSA-N 0 0 456.593 5.114 40 30 JKEBRN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000008831578 554723018 /nfs/dbraw/zinc/72/30/18/554723018.db2.gz PUQJTDLRYAWSAR-CYBMUJFWSA-N 0 0 456.593 5.114 40 30 JKEBRN COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000008832415 554726540 /nfs/dbraw/zinc/72/65/40/554726540.db2.gz MQZKGYXAMGBJKN-VMPITWQZSA-N 0 0 461.326 5.934 40 30 JKEBRN O=C1c2ccccc2S/C1=C1/C(=O)c2cc([N+](=O)[O-])c(Cl)c3c2c1cc([N+](=O)[O-])c3Cl ZINC000008870400 554765434 /nfs/dbraw/zinc/76/54/34/554765434.db2.gz PZCZEBRRBMYZPW-XSFVSMFZSA-N 0 0 473.249 5.859 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000008896441 554786147 /nfs/dbraw/zinc/78/61/47/554786147.db2.gz JDPDTUYTXZBVSU-OAHLLOKOSA-N 0 0 498.073 6.811 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1 ZINC000008901338 554794348 /nfs/dbraw/zinc/79/43/48/554794348.db2.gz ZMRABPOYIHHUOA-HXUWFJFHSA-N 0 0 482.605 6.796 40 30 JKEBRN N#CC(C#N)[C@H](c1ccc(Cl)cc1)C1C(=O)[C@H](c2ccccc2)C(=S)[C@@H](c2ccccc2)C1=O ZINC000008934473 554829057 /nfs/dbraw/zinc/82/90/57/554829057.db2.gz JHLGZEJHQPOMRM-HJOGWXRNSA-N 0 0 482.992 6.419 40 30 JKEBRN N#Cc1c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)sc2c1CCC2 ZINC000009142314 554935466 /nfs/dbraw/zinc/93/54/66/554935466.db2.gz TXMSXPHQZCJHQR-UHFFFAOYSA-N 0 0 456.390 5.151 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)o1 ZINC000009233591 555006623 /nfs/dbraw/zinc/00/66/23/555006623.db2.gz PRPXDUPDXVIRSL-RGVLZGJSSA-N 0 0 465.328 5.817 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000009635801 555343068 /nfs/dbraw/zinc/34/30/68/555343068.db2.gz VJBUUUDBNPBKAF-TZPNTHKFSA-N 0 0 483.655 5.456 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc([C@H]3C4=C(CCCC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000013165864 555368804 /nfs/dbraw/zinc/36/88/04/555368804.db2.gz FJRDAARWIAXIAJ-BDYUSTAISA-N 0 0 461.517 5.620 40 30 JKEBRN Cc1cccc(NC(=O)CN2c3ccccc3C(=NNc3c(Cl)cc(Cl)cc3Cl)C2=O)c1 ZINC000013302092 555373025 /nfs/dbraw/zinc/37/30/25/555373025.db2.gz ISAJDBUUVAFPLN-HFTWOUSFSA-N 0 0 487.774 5.757 40 30 JKEBRN CC(C)(C)P(=N/C(=N/c1ccccc1)c1ccccc1)(N1CCOCC1)N1CCOCC1 ZINC000013302186 555373113 /nfs/dbraw/zinc/37/31/13/555373113.db2.gz VUNZPNITJXJFMQ-SHHOIMCASA-N 0 0 454.555 5.259 40 30 JKEBRN Cc1ccc(/N=C2/S[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000013303981 555374107 /nfs/dbraw/zinc/37/41/07/555374107.db2.gz LDAHZGQJQFAWOI-WACOGBTOSA-N 0 0 483.559 7.286 40 30 JKEBRN Cc1cc(C(C)N=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)ccc1O ZINC000013304453 555374410 /nfs/dbraw/zinc/37/44/10/555374410.db2.gz AYICDUQBYJWNLN-STBIYBPSSA-N 0 0 473.374 6.423 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013306232 555375458 /nfs/dbraw/zinc/37/54/58/555375458.db2.gz ARDVSIWJWJPSHW-JLHYYAGUSA-N 0 0 473.326 6.777 40 30 JKEBRN COc1cc(/C=N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000013407342 555396534 /nfs/dbraw/zinc/39/65/34/555396534.db2.gz NIXVYGKEZUHDCD-QXLZFTBOSA-N 0 0 480.564 6.315 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@](C#Cc5ccccc5)(OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013408712 555396942 /nfs/dbraw/zinc/39/69/42/555396942.db2.gz HPWYYZWSCXJYCP-JEOCNDABSA-N 0 0 476.657 6.314 40 30 JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C/C(=N\O)[C@]2(O)C1 ZINC000013423861 555397504 /nfs/dbraw/zinc/39/75/04/555397504.db2.gz QGVHVXRQEBXHEC-IBSDBONISA-N 0 0 475.714 6.594 40 30 biogenic,in-vitro JKEBRN N#Cc1c2c(sc1NC(=O)CSc1ncnc3scc(-c4ccccc4)c31)CCCC2 ZINC000013426547 555399725 /nfs/dbraw/zinc/39/97/25/555399725.db2.gz FVADJFUSLLPLGM-UHFFFAOYSA-N 0 0 462.625 5.901 40 30 JKEBRN CCN(CC)c1ccc2c(C)c(/C(=C\C(=O)c3ccccc3)C(=O)c3ccccc3)c(=O)oc2c1 ZINC000013475947 555402945 /nfs/dbraw/zinc/40/29/45/555402945.db2.gz WSYWHVZENJTHAY-NCELDCMTSA-N 0 0 465.549 6.097 40 30 JKEBRN COc1ccc(CCN2Cc3cc4cc(C)c(C)cc4nc3S/C2=N/C[C@@H]2CCCO2)cc1OC ZINC000013562187 555496192 /nfs/dbraw/zinc/49/61/92/555496192.db2.gz KKJUITYKCMEZAD-XHWLHZJSSA-N 0 0 491.657 5.554 40 30 JKEBRN Cc1cc(C)c2cc3c(nc2c1)S/C(=N/c1cccc(C)c1C)N(CCN1CCOCC1)C3 ZINC000013562163 555496203 /nfs/dbraw/zinc/49/62/03/555496203.db2.gz BVMCUINRUYUFMI-ORIPQNMZSA-N 0 0 460.647 5.396 40 30 JKEBRN Cc1ccc(C)c(/N=C2/Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)c1 ZINC000013562165 555496268 /nfs/dbraw/zinc/49/62/68/555496268.db2.gz NCRKHZYYMMRHRK-ORIPQNMZSA-N 0 0 460.647 5.396 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cccc(Cl)c2)nc1 ZINC000013567214 555504185 /nfs/dbraw/zinc/50/41/85/555504185.db2.gz DKRLPGAJVJPKQV-CJAUYULYSA-N 0 0 473.960 5.637 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000013567182 555504199 /nfs/dbraw/zinc/50/41/99/555504199.db2.gz CZGYGEOGGFFFML-IDISGSTGSA-N 0 0 467.569 5.546 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000013567183 555504251 /nfs/dbraw/zinc/50/42/51/555504251.db2.gz CZGYGEOGGFFFML-JIPXPUAJSA-N 0 0 467.569 5.546 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567813 555505442 /nfs/dbraw/zinc/50/54/42/555505442.db2.gz MVBGGWYTQLSHQM-SFHVURJKSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567819 555505509 /nfs/dbraw/zinc/50/55/09/555505509.db2.gz RLSFLTOPWPIKJG-INIZCTEOSA-N 0 0 453.510 5.015 40 30 JKEBRN CCc1ccccc1N1C(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)C2=C1CC(C)(C)CC2=O ZINC000013567831 555505707 /nfs/dbraw/zinc/50/57/07/555505707.db2.gz RAIUZGNEDVVSKR-IBGZPJMESA-N 0 0 463.574 5.439 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000013567847 555505775 /nfs/dbraw/zinc/50/57/75/555505775.db2.gz UWQFTJRRSWMWCN-OAHLLOKOSA-N 0 0 458.341 5.886 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)cc1OC ZINC000013567964 555505907 /nfs/dbraw/zinc/50/59/07/555505907.db2.gz AHOYQYIWEFWFAU-OAHLLOKOSA-N 0 0 459.901 5.033 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567959 555505931 /nfs/dbraw/zinc/50/59/31/555505931.db2.gz KCVYXYVZEFWFDY-HNNXBMFYSA-N 0 0 459.901 5.033 40 30 JKEBRN COc1ccc(/C=N/c2cc(C)c(I)cc2C)cc1I ZINC000013574085 555512492 /nfs/dbraw/zinc/51/24/92/555512492.db2.gz BVKOFKUTCPBJOE-DJKKODMXSA-N 0 0 491.110 5.272 40 30 JKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000019904429 555535754 /nfs/dbraw/zinc/53/57/54/555535754.db2.gz LTWMKKCICLIPAO-DWXRJYCRSA-N 0 0 481.614 5.470 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccc4Cl)o3)sc2C1 ZINC000019928090 555543248 /nfs/dbraw/zinc/54/32/48/555543248.db2.gz IPXLZWWIIDQXQW-CYBMUJFWSA-N 0 0 487.050 6.205 40 30 JKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000010118722 555629186 /nfs/dbraw/zinc/62/91/86/555629186.db2.gz WHKPKBGVXBQUDJ-MUFRIFMGSA-N 0 0 479.805 6.958 40 30 JKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000010118717 555629217 /nfs/dbraw/zinc/62/92/17/555629217.db2.gz VJYPPKSOKIGAPG-LGJNPRDNSA-N 0 0 464.190 6.459 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 ZINC000010118771 555629219 /nfs/dbraw/zinc/62/92/19/555629219.db2.gz VIOJDCNWFNWTEN-JFLMPSFJSA-N 0 0 473.798 6.204 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N ZINC000010119102 555629589 /nfs/dbraw/zinc/62/95/89/555629589.db2.gz GDXDEWAULXKISC-WKULSOCRSA-N 0 0 454.357 5.966 40 30 JKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010119155 555629784 /nfs/dbraw/zinc/62/97/84/555629784.db2.gz IOPVYRQQRRTCNY-IPPBACCNSA-N 0 0 456.804 7.082 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000013842035 555631449 /nfs/dbraw/zinc/63/14/49/555631449.db2.gz HJTOBNZQUNEONB-UHFFFAOYSA-N 0 0 471.995 5.037 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000013842027 555631464 /nfs/dbraw/zinc/63/14/64/555631464.db2.gz IYBGCMNFAPDWAC-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013841994 555631511 /nfs/dbraw/zinc/63/15/11/555631511.db2.gz GWBJZDBAGKHQNM-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013841991 555631513 /nfs/dbraw/zinc/63/15/13/555631513.db2.gz FIQSQSXGCNEZGW-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000013842007 555631528 /nfs/dbraw/zinc/63/15/28/555631528.db2.gz RZQZRWSIPIEHGJ-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013841967 555631556 /nfs/dbraw/zinc/63/15/56/555631556.db2.gz FMNDPFXBYLSPRV-UHFFFAOYSA-N 0 0 498.033 5.551 40 30 JKEBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 ZINC000013842412 555631760 /nfs/dbraw/zinc/63/17/60/555631760.db2.gz QXKDZVDUJSNEBU-UHFFFAOYSA-N 0 0 481.647 5.060 40 30 JKEBRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000013842609 555631764 /nfs/dbraw/zinc/63/17/64/555631764.db2.gz PCZDFLJBFZTLHW-UHFFFAOYSA-N 0 0 495.674 5.543 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000013842938 555632039 /nfs/dbraw/zinc/63/20/39/555632039.db2.gz IKWZAQMAOPCTAY-UHFFFAOYSA-N 0 0 491.444 6.204 40 30 JKEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013845552 555633622 /nfs/dbraw/zinc/63/36/22/555633622.db2.gz WVHXFGJDLQQGRW-UHFFFAOYSA-N 0 0 479.389 5.089 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCC#N ZINC000010131245 555635558 /nfs/dbraw/zinc/63/55/58/555635558.db2.gz QYDMZKISFVPXBY-LSDFYIEESA-N 0 0 453.608 5.535 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000013879671 555638265 /nfs/dbraw/zinc/63/82/65/555638265.db2.gz AUESTAPULXQXME-UHFFFAOYSA-N 0 0 493.658 5.203 40 30 JKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000013914431 555646436 /nfs/dbraw/zinc/64/64/36/555646436.db2.gz SRINZNRJHRIBSR-NDENLUEZSA-N 0 0 468.336 6.316 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccco1 ZINC000014060014 555675293 /nfs/dbraw/zinc/67/52/93/555675293.db2.gz LXSIACSPQBDCBG-UHFFFAOYSA-N 0 0 457.968 5.232 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)nnc1-c1ccco1 ZINC000014059989 555675361 /nfs/dbraw/zinc/67/53/61/555675361.db2.gz DSGMNDDRCKGLMW-OAHLLOKOSA-N 0 0 483.663 5.763 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000014081373 555681474 /nfs/dbraw/zinc/68/14/74/555681474.db2.gz SMOPQLCBZDKAHL-UHFFFAOYSA-N 0 0 463.788 5.278 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000014081376 555681522 /nfs/dbraw/zinc/68/15/22/555681522.db2.gz WTFNCEXUXXWJPY-UHFFFAOYSA-N 0 0 498.233 5.931 40 30 JKEBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1C ZINC000014081719 555681538 /nfs/dbraw/zinc/68/15/38/555681538.db2.gz AAFJKSQGZGDKEQ-INIZCTEOSA-N 0 0 479.675 5.606 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nnc1-c1cccc(C)c1 ZINC000014082135 555681725 /nfs/dbraw/zinc/68/17/25/555681725.db2.gz AZEMOGUALXMWDU-UHFFFAOYSA-N 0 0 496.658 5.287 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccccc1C ZINC000014081793 555681755 /nfs/dbraw/zinc/68/17/55/555681755.db2.gz HPZBALJKIQIDQM-KRWDZBQOSA-N 0 0 493.702 6.088 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccc(C)cc1 ZINC000014082344 555681779 /nfs/dbraw/zinc/68/17/79/555681779.db2.gz GVJKIOOSYJDCHC-UHFFFAOYSA-N 0 0 482.034 5.947 40 30 JKEBRN COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2C)cc1 ZINC000014082963 555682105 /nfs/dbraw/zinc/68/21/05/555682105.db2.gz AGMQOWCHMJEOGX-MRXNPFEDSA-N 0 0 495.674 5.306 40 30 JKEBRN COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)cc1 ZINC000014082961 555682136 /nfs/dbraw/zinc/68/21/36/555682136.db2.gz AGMQOWCHMJEOGX-INIZCTEOSA-N 0 0 495.674 5.306 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000010325912 555684500 /nfs/dbraw/zinc/68/45/00/555684500.db2.gz ASVIYURNABHRSA-CJFMBICVSA-N 0 0 492.535 5.340 40 30 JKEBRN C=CCOc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010329967 555687122 /nfs/dbraw/zinc/68/71/22/555687122.db2.gz LVUNMVCNUFNQTD-UHFFFAOYSA-N 0 0 470.978 5.123 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)nnc1-c1ccncc1 ZINC000014110560 555690394 /nfs/dbraw/zinc/69/03/94/555690394.db2.gz LFBHAMPKBMKRRS-KRWDZBQOSA-N 0 0 494.690 5.565 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014117819 555693026 /nfs/dbraw/zinc/69/30/26/555693026.db2.gz YAHFEQMEJJGLDP-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000014117932 555693051 /nfs/dbraw/zinc/69/30/51/555693051.db2.gz RNGWATAPRZHGNS-UHFFFAOYSA-N 0 0 472.998 5.053 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000014117938 555693088 /nfs/dbraw/zinc/69/30/88/555693088.db2.gz RERCXMBFBUCMFI-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC ZINC000020196323 555695799 /nfs/dbraw/zinc/69/57/99/555695799.db2.gz DBWHHOHJCXTCGV-XODNFHPESA-N 0 0 479.791 6.367 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000020196508 555695805 /nfs/dbraw/zinc/69/58/05/555695805.db2.gz DFNAQOARMUDORO-WKULSOCRSA-N 0 0 489.399 6.112 40 30 JKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC ZINC000020196415 555695878 /nfs/dbraw/zinc/69/58/78/555695878.db2.gz JEGQPJWFEYVYNY-CCVNUDIWSA-N 0 0 475.372 5.722 40 30 JKEBRN COc1ccc(CN/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1OC ZINC000020196090 555695881 /nfs/dbraw/zinc/69/58/81/555695881.db2.gz NHBPBZXBKAPZCT-AFUMVMLFSA-N 0 0 455.352 5.169 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc32)cc1OC ZINC000020196608 555696083 /nfs/dbraw/zinc/69/60/83/555696083.db2.gz AEHUZFTXFQNZHO-FDAWAROLSA-N 0 0 451.526 5.431 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)cc1OC ZINC000020196604 555696114 /nfs/dbraw/zinc/69/61/14/555696114.db2.gz MKAIYDDDPDJARU-FDAWAROLSA-N 0 0 451.526 5.431 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1OC ZINC000020196602 555696119 /nfs/dbraw/zinc/69/61/19/555696119.db2.gz QDZFFLNQFRSCGJ-FMFFXOCNSA-N 0 0 476.576 6.713 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000014126856 555697314 /nfs/dbraw/zinc/69/73/14/555697314.db2.gz ABGHJDRAHLELOP-UHFFFAOYSA-N 0 0 458.587 5.544 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(OCC)c1OCC ZINC000014132413 555699987 /nfs/dbraw/zinc/69/99/87/555699987.db2.gz RLQVJRAYVJFNQN-KOEQRZSOSA-N 0 0 473.594 6.602 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000014133305 555701029 /nfs/dbraw/zinc/70/10/29/555701029.db2.gz XQNDFWJVLVHQSC-UHFFFAOYSA-N 0 0 487.423 5.153 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014133320 555701140 /nfs/dbraw/zinc/70/11/40/555701140.db2.gz ONGHXRAYMSBJJD-UHFFFAOYSA-N 0 0 497.835 6.043 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000014133319 555701271 /nfs/dbraw/zinc/70/12/71/555701271.db2.gz DPEQEYUAHYBTAF-UHFFFAOYSA-N 0 0 497.835 6.043 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000014133435 555701759 /nfs/dbraw/zinc/70/17/59/555701759.db2.gz WJAJKQQRRMYRSI-UHFFFAOYSA-N 0 0 458.587 5.544 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000014133454 555701775 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HRWGCIRYXNHPDW-SFNQZPIRSA-N 0 0 490.563 5.951 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000022758226 555954706 /nfs/dbraw/zinc/95/47/06/555954706.db2.gz ZVBTYDWWGNFMPB-GPNASLBKSA-N 0 0 497.598 7.553 40 30 JKEBRN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(F)cc1Cl ZINC000012445186 555980566 /nfs/dbraw/zinc/98/05/66/555980566.db2.gz KHTHVEFJWGTUEU-UHFFFAOYSA-N 0 0 463.984 6.850 40 30 JKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000023230328 556032641 /nfs/dbraw/zinc/03/26/41/556032641.db2.gz BDDWLTCGNPLIDR-OGLMXYFKSA-N 0 0 459.981 5.246 40 30 JKEBRN CCc1ccc(C(=CCc2ccc(Br)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000023230306 556032712 /nfs/dbraw/zinc/03/27/12/556032712.db2.gz IHNMMIPVUBKEPE-WNJHINTHSA-N 0 0 495.333 6.358 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O ZINC000023411628 556052497 /nfs/dbraw/zinc/05/24/97/556052497.db2.gz DVWJJDKSDPNFBG-RPPGKUMJSA-N 0 0 482.403 5.405 40 30 JKEBRN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000012561305 556054379 /nfs/dbraw/zinc/05/43/79/556054379.db2.gz QCGPVDCEZMSSMC-XIEYBQDHSA-N 0 0 472.611 5.509 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2/C=N/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000012562035 556055975 /nfs/dbraw/zinc/05/59/75/556055975.db2.gz FITSDAPQKWVYOM-TWKHWXDSSA-N 0 0 473.536 6.488 40 30 JKEBRN O=C(/N=C1\c2ccccc2CN1c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1 ZINC000012563500 556058558 /nfs/dbraw/zinc/05/85/58/556058558.db2.gz ATENPXFSBVCBMY-KDJFERLWSA-N 0 0 481.987 5.932 40 30 JKEBRN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(Cl)c(Cl)c1 ZINC000012563651 556058884 /nfs/dbraw/zinc/05/88/84/556058884.db2.gz FCTWSNBERIQYRT-CCVNUDIWSA-N 0 0 475.335 6.399 40 30 JKEBRN COc1ccc(C(=O)Oc2ccc(CN=Nc3ncc(C(F)(F)F)cc3Cl)cc2OC)cc1 ZINC000012566242 556063791 /nfs/dbraw/zinc/06/37/91/556063791.db2.gz SIPDTDIXGALTIB-IPBVOBEMSA-N 0 0 479.842 5.436 40 30 JKEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S/C1=N/c1ccc(SC(F)F)cc1 ZINC000015911379 556065572 /nfs/dbraw/zinc/06/55/72/556065572.db2.gz XMWBNLIWPYPSEC-KFZWHRDQSA-N 0 0 483.512 5.426 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000015920286 556067643 /nfs/dbraw/zinc/06/76/43/556067643.db2.gz DJQNMHULLPCSGK-RUZDIDTESA-N 0 0 475.541 5.241 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3)c2c1 ZINC000015920361 556068073 /nfs/dbraw/zinc/06/80/73/556068073.db2.gz VTUBKZMSOCZUEZ-DEOSSOPVSA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920360 556068099 /nfs/dbraw/zinc/06/80/99/556068099.db2.gz DWJDIHAGRDTHIN-XMMPIXPASA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920359 556068132 /nfs/dbraw/zinc/06/81/32/556068132.db2.gz DWJDIHAGRDTHIN-DEOSSOPVSA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000015920365 556068140 /nfs/dbraw/zinc/06/81/40/556068140.db2.gz HFCSORCOLUMEID-QHCPKHFHSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC000015920329 556068171 /nfs/dbraw/zinc/06/81/71/556068171.db2.gz NDJOQOIUQNXEQP-QHCPKHFHSA-N 0 0 476.916 5.244 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)c2c1 ZINC000015920330 556068211 /nfs/dbraw/zinc/06/82/11/556068211.db2.gz NDJOQOIUQNXEQP-HSZRJFAPSA-N 0 0 476.916 5.244 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)c2c1 ZINC000015920367 556068360 /nfs/dbraw/zinc/06/83/60/556068360.db2.gz JTPAZKBVFARDNQ-QHCPKHFHSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2cccs2)cc1 ZINC000015920453 556069115 /nfs/dbraw/zinc/06/91/15/556069115.db2.gz LBLNIFZZSSDJKL-XMMPIXPASA-N 0 0 488.565 5.068 40 30 JKEBRN O=c1oc2ccc(Cl)cc2cc1-c1cnc(N=NCc2ccc(Br)cc2)s1 ZINC000012576884 556076078 /nfs/dbraw/zinc/07/60/78/556076078.db2.gz OEKHHZLDOBLYCD-NUGSKGIGSA-N 0 0 460.740 5.778 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=C2\CCC(/C=N/N=C/c3cccc(Br)c3)=C2N2CCOCC2)cc1 ZINC000012580431 556078728 /nfs/dbraw/zinc/07/87/28/556078728.db2.gz FHMIZEWCLLYDJZ-AJOFVPODSA-N 0 0 495.377 5.226 40 30 JKEBRN CCCN(CCC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000012628526 556093066 /nfs/dbraw/zinc/09/30/66/556093066.db2.gz WPHXPVMLUSZQGN-UHFFFAOYSA-N 0 0 467.650 6.799 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CSc1ncccn1)[C@H]2c1ccco1 ZINC000015973179 556097284 /nfs/dbraw/zinc/09/72/84/556097284.db2.gz UUKGOBNGQZFPSX-QHCPKHFHSA-N 0 0 460.559 5.005 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000012871047 556120986 /nfs/dbraw/zinc/12/09/86/556120986.db2.gz VATQYYFSJMNJAL-VIAZZHLHSA-N 0 0 482.749 7.775 40 30 biogenic JKEBRN COC(=O)c1ccccc1/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1Cc1cccs1 ZINC000012880019 556123348 /nfs/dbraw/zinc/12/33/48/556123348.db2.gz VWZHXXFLGCMHAH-BYCLXTJYSA-N 0 0 473.623 6.495 40 30 JKEBRN COC(=O)[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000016189625 556128561 /nfs/dbraw/zinc/12/85/61/556128561.db2.gz JLWPHRZIVVZZJI-WUFINQPMSA-N 0 0 468.984 6.572 40 30 JKEBRN N#Cc1cc(Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(-n2nnc3ccccc32)cc1C#N ZINC000024522155 556133268 /nfs/dbraw/zinc/13/32/68/556133268.db2.gz JBDUJXWICKGZEZ-UHFFFAOYSA-N 0 0 474.436 5.657 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cn(Cc2ccccc2)c2ccccc12 ZINC000024543557 556135452 /nfs/dbraw/zinc/13/54/52/556135452.db2.gz ODXPAOOYJKUBRO-YTTGMZPUSA-N 0 0 482.627 8.043 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cn(Cc2ccccc2)c2ccccc12 ZINC000024543561 556135480 /nfs/dbraw/zinc/13/54/80/556135480.db2.gz ODXPAOOYJKUBRO-JGCGQSQUSA-N 0 0 482.627 8.043 40 30 JKEBRN c1c2ccccc2n(C[C@@H](CN(c2ccccc2)c2ccccc2)OC[C@@H]2CO2)c1-c1ccccc1 ZINC000016492859 556141486 /nfs/dbraw/zinc/14/14/86/556141486.db2.gz RAXSXZWSSVQMFN-LOYHVIPDSA-N 0 0 474.604 6.931 40 30 JKEBRN N#Cc1cc(Oc2cccc(-c3cnc4ccccc4n3)c2)c(-n2nnc3ccccc32)cc1C#N ZINC000016545607 556143115 /nfs/dbraw/zinc/14/31/15/556143115.db2.gz JFSCYXXSVGPWSX-UHFFFAOYSA-N 0 0 465.476 5.566 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000016610612 556146374 /nfs/dbraw/zinc/14/63/74/556146374.db2.gz QSKGIYXYULYGAZ-PJAVDKHJSA-N 0 0 463.375 7.535 40 30 JKEBRN Fc1ccc(COc2cccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c2)cc1 ZINC000016669711 556149979 /nfs/dbraw/zinc/14/99/79/556149979.db2.gz MXJQNJMLPIWSTE-KKMKTNMSSA-N 0 0 472.372 7.281 40 30 JKEBRN Clc1ccc(COc2cccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c2)cc1 ZINC000016669704 556150087 /nfs/dbraw/zinc/15/00/87/556150087.db2.gz FLHXLSSGOUQTDW-KKMKTNMSSA-N 0 0 488.827 7.795 40 30 JKEBRN Clc1ccc(COc2cccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 ZINC000016669700 556150137 /nfs/dbraw/zinc/15/01/37/556150137.db2.gz YHPPTAFSVSFOKC-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN COC(=O)c1ccc(Cl)c([N-][NH+]=Cc2ccc(C=NNc3cc(C(=O)OC)ccc3Cl)cc2)c1 ZINC000012936025 556150860 /nfs/dbraw/zinc/15/08/60/556150860.db2.gz OAGSFZFLZIATHK-OCHFTUDZSA-N 0 0 499.354 5.459 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000016684007 556151407 /nfs/dbraw/zinc/15/14/07/556151407.db2.gz XMFZWRUFHPAKTC-JFLMPSFJSA-N 0 0 463.990 6.887 40 30 JKEBRN CCOc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1ccc(F)cc1 ZINC000016689104 556152773 /nfs/dbraw/zinc/15/27/73/556152773.db2.gz QKBAHGBYFMCUSS-UHFFFAOYSA-N 0 0 477.499 5.597 40 30 JKEBRN N#C[C@@](Cc1ccc(C[C@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1 ZINC000012952492 556160789 /nfs/dbraw/zinc/16/07/89/556160789.db2.gz SPAPFXIWIAYYAT-HEVIKAOCSA-N 0 0 490.610 6.581 40 30 JKEBRN C=C(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@@]32O)C1 ZINC000016923582 556180665 /nfs/dbraw/zinc/18/06/65/556180665.db2.gz WMDCGNLQYPRTBP-CMODHYQLSA-N 0 0 454.607 5.369 40 30 JKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(F)c(F)c(F)c(F)c1F ZINC000017106717 556216915 /nfs/dbraw/zinc/21/69/15/556216915.db2.gz CLGVMPBHQNATGJ-STEFQVEPSA-N 0 0 465.293 8.141 40 30 JKEBRN COc1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C\c3ccc(OC)cc3OC)cc2)c(OC)c1 ZINC000017104989 556217002 /nfs/dbraw/zinc/21/70/02/556217002.db2.gz ITTRKGJVIPWMBO-UKVBVZPVSA-N 0 0 458.510 5.513 40 30 JKEBRN COc1cc(OC)c(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)cc1Cl ZINC000017127153 556220853 /nfs/dbraw/zinc/22/08/53/556220853.db2.gz PSTMVFDTUILAON-QFIPXVFZSA-N 0 0 467.978 5.713 40 30 JKEBRN Cc1ccc(O)c(/C(=N/CCCC/N=C(/c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 ZINC000017140838 556224818 /nfs/dbraw/zinc/22/48/18/556224818.db2.gz JDNTVZJTGRMDDX-IUQQBYGBSA-N 0 0 476.620 6.870 40 30 JKEBRN O=C1C=C(NNc2nc(-c3ccc(Cl)cc3)cs2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000017175536 556232105 /nfs/dbraw/zinc/23/21/05/556232105.db2.gz XEJJWWQGYOIGLR-ZMKXUELPSA-N 0 0 458.974 6.410 40 30 JKEBRN O=C1C=C(NNc2nc(-c3ccc(Cl)cc3)cs2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000017175535 556232142 /nfs/dbraw/zinc/23/21/42/556232142.db2.gz XEJJWWQGYOIGLR-KBSPPKGDSA-N 0 0 458.974 6.410 40 30 JKEBRN O=C1CN(Cc2ccccc2)[C@@H](c2cccc3ccccc32)N1/N=C/c1cccc2ccccc12 ZINC000025868933 556237705 /nfs/dbraw/zinc/23/77/05/556237705.db2.gz RFYFVZQEWSAIEX-AUOUSCGPSA-N 0 0 455.561 6.370 40 30 JKEBRN Cc1cc(C)c2nc3c(cc2c1)CN(CCN1CCOCC1)/C(=N\c1cccc(C)c1C)S3 ZINC000026439682 556253802 /nfs/dbraw/zinc/25/38/02/556253802.db2.gz CCJISJSACQRPAN-BYYHNAKLSA-N 0 0 460.647 5.396 40 30 JKEBRN C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000026442310 556253826 /nfs/dbraw/zinc/25/38/26/556253826.db2.gz PXXYVUFGFNWRGB-UHFFFAOYSA-N 0 0 472.614 5.178 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cccc(OC)c3)c(Cl)c2)SC1=S ZINC000026593334 556257849 /nfs/dbraw/zinc/25/78/49/556257849.db2.gz DRZMXOUNIULKCY-UNOMPAQXSA-N 0 0 496.437 5.847 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000026712473 556259961 /nfs/dbraw/zinc/25/99/61/556259961.db2.gz DIDBJUMGZARIHY-WQRHYEAKSA-N 0 0 494.407 5.563 40 30 JKEBRN Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2C1(C#N)C#N ZINC000017611218 556262693 /nfs/dbraw/zinc/26/26/93/556262693.db2.gz YIXUXSCEBVGKPE-YIOBJHAYSA-N 0 0 488.547 5.804 40 30 JKEBRN CCOc1ccc(OCC)c([C@@H]2[C@@H](Cc3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 ZINC000017611196 556262835 /nfs/dbraw/zinc/26/28/35/556262835.db2.gz SLWBRDIYALSMGX-CCNCKIRNSA-N 0 0 475.592 6.128 40 30 JKEBRN CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O ZINC000017653603 556263181 /nfs/dbraw/zinc/26/31/81/556263181.db2.gz AHLBNYSZXLDEJQ-CWTOASCOSA-N 0 0 495.745 6.882 40 30 JKEBRN CC(C)(C)c1cc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc(C(C)(C)C)c1O ZINC000026787117 556263688 /nfs/dbraw/zinc/26/36/88/556263688.db2.gz MXZZLXXPFZTYFF-UHFFFAOYSA-N 0 0 499.076 6.888 40 30 JKEBRN CN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000017819981 556267304 /nfs/dbraw/zinc/26/73/04/556267304.db2.gz MLXZIHNCYQSJOG-ACWMPWAISA-N 0 0 479.005 5.201 40 30 JKEBRN O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C(N=Nc1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl ZINC000017887574 556270072 /nfs/dbraw/zinc/27/00/72/556270072.db2.gz HITDSWDYKXJLFC-XAUWAZNKSA-N 0 0 484.299 5.100 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000027468893 556279107 /nfs/dbraw/zinc/27/91/07/556279107.db2.gz ZHWRGVYIQPLOJN-TUKNDEIHSA-N 0 0 486.453 7.695 40 30 JKEBRN Cc1sc(NC(=O)CSc2nnc3n(Cc4ccc(F)cc4)c4ccccc4n23)c(C#N)c1C ZINC000013084084 556281347 /nfs/dbraw/zinc/28/13/47/556281347.db2.gz YRLIUANHGPDPDE-UHFFFAOYSA-N 0 0 490.589 5.152 40 30 JKEBRN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(N3CCC(c4ccccc4)=N3)cc2)NC(=O)N1 ZINC000027515760 556282067 /nfs/dbraw/zinc/28/20/67/556282067.db2.gz FKPCPHGEFYSSJF-RUZDIDTESA-N 0 0 470.960 5.465 40 30 JKEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000018077239 556283853 /nfs/dbraw/zinc/28/38/53/556283853.db2.gz OHDFZYXJOSOISQ-BJMVGYQFSA-N 0 0 490.970 5.207 40 30 JKEBRN Cc1ccc(NC(=S)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc1 ZINC000018098011 556286932 /nfs/dbraw/zinc/28/69/32/556286932.db2.gz MIADHSMSAXEILO-UHFFFAOYSA-N 0 0 492.052 5.534 40 30 JKEBRN C(=N/c1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2)\c1ccc2c(c1)OCO2 ZINC000018101674 556288094 /nfs/dbraw/zinc/28/80/94/556288094.db2.gz XOAZLOFUQMVSOJ-WCZMLVOGSA-N 0 0 460.489 6.216 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2oc(-c3ccc([N+](=O)[O-])cc3)nc2SCc2ccccc2)cc1 ZINC000018193576 556301550 /nfs/dbraw/zinc/30/15/50/556301550.db2.gz HZKAYYLVXCTVLH-ZVHZXABRSA-N 0 0 460.471 6.201 40 30 JKEBRN CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@H]2C(=O)C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O ZINC000027644194 556301600 /nfs/dbraw/zinc/30/16/00/556301600.db2.gz JPZOVUTUYMWIOY-SFYJVUIZSA-N 0 0 468.678 7.263 40 30 in-vitro JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182597 556316637 /nfs/dbraw/zinc/31/66/37/556316637.db2.gz RDLIMSSFMLBJTB-FMCGGJTJSA-N 0 0 463.530 5.315 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182601 556316714 /nfs/dbraw/zinc/31/67/14/556316714.db2.gz XATFBVKNZWAGSR-ZRGSRPPYSA-N 0 0 459.929 6.518 40 30 JKEBRN Cc1c2c(ccc1OCC(=O)OCc1ccccc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182656 556316821 /nfs/dbraw/zinc/31/68/21/556316821.db2.gz FHNZSHGBYXBEOZ-QFEZKATASA-N 0 0 453.494 5.225 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182639 556317062 /nfs/dbraw/zinc/31/70/62/556317062.db2.gz VEDFYYKXNDXMJH-VYYCAZPPSA-N 0 0 469.537 6.182 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c(C)c1 ZINC000028219427 556325269 /nfs/dbraw/zinc/32/52/69/556325269.db2.gz PGGRTJOTIBZGAZ-CCVNUDIWSA-N 0 0 462.018 7.170 40 30 JKEBRN C=CCNC(=S)n1c2nc(-c3ccc(F)cc3)c3n2c(c1-c1ccc(OC)cc1)CCCC3 ZINC000028527715 556334856 /nfs/dbraw/zinc/33/48/56/556334856.db2.gz HCHNKEQPRIBUGQ-UHFFFAOYSA-N 0 0 460.578 5.405 40 30 JKEBRN Cc1cc(C)n(-c2nc(N=NCc3c4ccccc4cc4ccccc43)nc(Nc3ccccc3)n2)n1 ZINC000028632285 556338749 /nfs/dbraw/zinc/33/87/49/556338749.db2.gz KNIAPCNHBLODCV-YKQZZPSBSA-N 0 0 484.567 6.170 40 30 JKEBRN C[C@@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045458 556345674 /nfs/dbraw/zinc/34/56/74/556345674.db2.gz WTERNLDOAPYGJD-GOSISDBHSA-N 0 0 473.398 5.280 40 30 JKEBRN c1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)cc1 ZINC000030295683 556365035 /nfs/dbraw/zinc/36/50/35/556365035.db2.gz DMTMJHSETZRHBC-BRPDVVIDSA-N 0 0 479.588 5.631 40 30 JKEBRN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)c(C)c1 ZINC000030823015 556375074 /nfs/dbraw/zinc/37/50/74/556375074.db2.gz IUQZVDNSJZIVCJ-AREMUKBSSA-N 0 0 455.558 6.745 40 30 JKEBRN Cc1ccc(SCC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000030823028 556375500 /nfs/dbraw/zinc/37/55/00/556375500.db2.gz YEVUWUHJMNUJMQ-SANMLTNESA-N 0 0 460.624 6.356 40 30 JKEBRN C#CCOC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000031374905 556396519 /nfs/dbraw/zinc/39/65/19/556396519.db2.gz LLAMZFUXJMSJTD-GTPODGLVSA-N 0 0 468.722 8.183 40 30 JKEBRN CCCCCC(/C=N/N1CCN(/N=C\C(=C/c2ccccc2)CCCCC)CC1)=C\c1ccccc1 ZINC000031670185 556401878 /nfs/dbraw/zinc/40/18/78/556401878.db2.gz XAYOXNNBVNBIKC-OVCRJJJKSA-N 0 0 484.732 7.903 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cc3cccc4ccccc43)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000031723538 556402332 /nfs/dbraw/zinc/40/23/32/556402332.db2.gz NKTZDNMXXDMMGF-YJOGHTMOSA-N 0 0 464.481 6.502 40 30 JKEBRN CCOc1cc(C=NNc2cn[nH]c(=O)c2Cl)ccc1OCc1c(F)cccc1Cl ZINC000031783728 556404241 /nfs/dbraw/zinc/40/42/41/556404241.db2.gz IQZOYZRFMCGHIR-OPVMPGTRSA-N 0 0 451.285 5.052 40 30 JKEBRN O=C1/C(=C\c2cccc(Br)c2)CSC/C1=C/c1cccc(Br)c1 ZINC000031861465 556409151 /nfs/dbraw/zinc/40/91/51/556409151.db2.gz HGFNERWBYXJBFK-DUGOVBPYSA-N 0 0 450.195 5.995 40 30 JKEBRN COc1ccc(/C=C2\CC[C@H](C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC ZINC000031894688 556409326 /nfs/dbraw/zinc/40/93/26/556409326.db2.gz IDUMFZXQINSGQR-QUYZQLMHSA-N 0 0 471.557 5.675 40 30 JKEBRN COc1ccc(/C=C2/CC[C@@H](C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC ZINC000031894677 556409343 /nfs/dbraw/zinc/40/93/43/556409343.db2.gz IDUMFZXQINSGQR-BKAYVGFPSA-N 0 0 471.557 5.675 40 30 JKEBRN COc1ccc(/C=C2/CC[C@H](C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC ZINC000031894683 556409347 /nfs/dbraw/zinc/40/93/47/556409347.db2.gz IDUMFZXQINSGQR-JJBLJPBOSA-N 0 0 471.557 5.675 40 30 JKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(Cl)c1OCc1ccccc1F ZINC000032099972 556416268 /nfs/dbraw/zinc/41/62/68/556416268.db2.gz WBPNYAMQVIOIDW-DBFSUHOCSA-N 0 0 482.943 5.624 40 30 JKEBRN COc1ccc(/N=C2\S/C(=C\c3ccsc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000032109646 556419868 /nfs/dbraw/zinc/41/98/68/556419868.db2.gz OOIGCWOGOPNBEE-DFUCCVLFSA-N 0 0 459.596 6.085 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000032111793 556420465 /nfs/dbraw/zinc/42/04/65/556420465.db2.gz DJUYTGWKEGMNRP-BOPFTXTBSA-N 0 0 493.810 5.328 40 30 JKEBRN Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1 ZINC000032115283 556422444 /nfs/dbraw/zinc/42/24/44/556422444.db2.gz TVCOEXVXYWMNGE-YZSQISJMSA-N 0 0 451.364 5.333 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1Cl ZINC000032117142 556425457 /nfs/dbraw/zinc/42/54/57/556425457.db2.gz DMXHSDJBELNJJL-YDYOOVDUSA-N 0 0 466.990 6.915 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000032116872 556425465 /nfs/dbraw/zinc/42/54/65/556425465.db2.gz FUTZSWLKVVPUDM-DEDYPNTBSA-N 0 0 467.959 6.291 40 30 JKEBRN C#CCOc1ccc2c(c1C1C3=C(CC(C)(C)CC3=O)NC3=C1C(=O)CC(C)(C)C3)CCCC2 ZINC000032116830 556425483 /nfs/dbraw/zinc/42/54/83/556425483.db2.gz NCRPNFXORDNTRU-UHFFFAOYSA-N 0 0 457.614 5.551 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3/S/C(=N/c4ccc(C)cc4C)NC3=O)cc2[N+](=O)[O-])cc1 ZINC000032124751 556427712 /nfs/dbraw/zinc/42/77/12/556427712.db2.gz RUAPAMUZJOTRMP-OEAKJJBVSA-N 0 0 475.595 6.563 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccccc3Nc3ccccc3)sc2C1 ZINC000032124821 556427805 /nfs/dbraw/zinc/42/78/05/556427805.db2.gz PJJKXHISEFHLFR-GOSISDBHSA-N 0 0 487.625 6.310 40 30 JKEBRN CN1CCc2c(C#N)c(/N=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc2C1 ZINC000032124850 556428195 /nfs/dbraw/zinc/42/81/95/556428195.db2.gz YIRNASHCZQHXSL-BRJLIKDPSA-N 0 0 468.991 6.071 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000032193764 556433390 /nfs/dbraw/zinc/43/33/90/556433390.db2.gz QWIIETZZQRJCNU-UHFFFAOYSA-N 0 0 455.598 6.278 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000032604406 556450404 /nfs/dbraw/zinc/45/04/04/556450404.db2.gz NRHFCXKFFVNBKQ-HNNXBMFYSA-N 0 0 473.396 5.097 40 30 JKEBRN N#Cc1c2nc3ccccc3n2c(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F ZINC000032609546 556450830 /nfs/dbraw/zinc/45/08/30/556450830.db2.gz MYUOBBRPXROVFD-UHFFFAOYSA-N 0 0 455.871 5.358 40 30 JKEBRN CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Oc1cccc(C)c1 ZINC000032634622 556455922 /nfs/dbraw/zinc/45/59/22/556455922.db2.gz ZBCMEGSKSKZLFJ-KHKLNJMESA-N 0 0 493.050 5.088 40 30 JKEBRN COC1=C(OC)C(=O)C(C)C(=CC=C(C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000032790764 556495163 /nfs/dbraw/zinc/49/51/63/556495163.db2.gz XGCJRRDNIMSYNC-LWDBKAAJSA-N 0 0 454.651 7.495 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)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 ZINC000253501182 560037872 /nfs/dbraw/zinc/03/78/72/560037872.db2.gz KONAXQKGWYDUTG-ZKIQXGFTSA-N 0 0 482.749 7.776 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501209 560037878 /nfs/dbraw/zinc/03/78/78/560037878.db2.gz ODSSDTBFHAYYMD-AYODGPNYSA-N 0 0 468.766 8.596 40 30 biogenic,in-vitro JKEBRN C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257555484 560041739 /nfs/dbraw/zinc/04/17/39/560041739.db2.gz UMTABACRBSGXGK-ACOCVXCHSA-N 0 0 458.727 6.517 40 30 biogenic,in-vitro JKEBRN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5ccc(C#N)cc5)ccc4[nH]3)cc2)cc1 ZINC000020457400 569602348 /nfs/dbraw/zinc/60/23/48/569602348.db2.gz MNNMROMJSGHIQY-UHFFFAOYSA-N 0 0 482.503 5.478 40 30 JKEBRN 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@@H](OCCCO)[C@@H]1O ZINC000059201374 569602356 /nfs/dbraw/zinc/60/23/56/569602356.db2.gz FZEXGDDBXLBRTD-CXDXTUCNSA-N 0 0 490.725 5.082 40 30 JKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(Br)cc3)cc2)nc1-c1ccccc1 ZINC000059193890 569602360 /nfs/dbraw/zinc/60/23/60/569602360.db2.gz JQAQNVQFOBLLQG-CVKSISIWSA-N 0 0 492.398 6.546 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059193863 569602368 /nfs/dbraw/zinc/60/23/68/569602368.db2.gz VNRJLJKNPZMJLV-OGLMXYFKSA-N 0 0 471.582 6.491 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccccc1OC ZINC000059193904 569602385 /nfs/dbraw/zinc/60/23/85/569602385.db2.gz AFHCSZBPHPPQCJ-OGLMXYFKSA-N 0 0 487.581 6.191 40 30 JKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1-c1ccccc1 ZINC000059193847 569602406 /nfs/dbraw/zinc/60/24/06/569602406.db2.gz NMHFSKZYHAFSKF-RDRPBHBLSA-N 0 0 469.610 7.081 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3ccccc3OS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000059387362 569602790 /nfs/dbraw/zinc/60/27/90/569602790.db2.gz CLFCTABFGNZRHJ-MFKUBSTISA-N 0 0 463.584 5.641 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccc(Br)cc4)cc3)n2)cc1 ZINC000059387381 569602803 /nfs/dbraw/zinc/60/28/03/569602803.db2.gz SGZFOANNBBJZEZ-VULFUBBASA-N 0 0 492.398 6.546 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)n2)cc1 ZINC000059386946 569602824 /nfs/dbraw/zinc/60/28/24/569602824.db2.gz BEENVJMKZGOGPN-OKCVXOCRSA-N 0 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PCTASNCLXKOGPW-IBGZPJMESA-N 0 0 477.634 5.118 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000033777978 569634354 /nfs/dbraw/zinc/63/43/54/569634354.db2.gz ZJWIFCXMNZWHJH-UHFFFAOYSA-N 0 0 468.966 5.579 40 30 JKEBRN CN(C)c1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033782262 569634742 /nfs/dbraw/zinc/63/47/42/569634742.db2.gz VLBYFCRUNOPIOJ-VLZFXTDASA-N 0 0 478.043 5.102 40 30 JKEBRN O=C1/C(=C\c2ccc(O)c(Br)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033921884 569637610 /nfs/dbraw/zinc/63/76/10/569637610.db2.gz DRTXGJZZKUPLCY-NVTWWLNUSA-N 0 0 451.345 5.963 40 30 JKEBRN COc1c(Br)cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1Br ZINC000033926969 569637860 /nfs/dbraw/zinc/63/78/60/569637860.db2.gz SILFPWSSCHSCBQ-CXUHLZMHSA-N 0 0 496.224 5.729 40 30 JKEBRN C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1C ZINC000034702273 569649184 /nfs/dbraw/zinc/64/91/84/569649184.db2.gz HVSNYVJJRDPOTJ-UHFFFAOYSA-N 0 0 452.668 6.026 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1ccccc1 ZINC000034720649 569652442 /nfs/dbraw/zinc/65/24/42/569652442.db2.gz FIRGARWKGBFPMC-UHFFFAOYSA-N 0 0 457.397 5.241 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000034738189 569654661 /nfs/dbraw/zinc/65/46/61/569654661.db2.gz CIVPQRLIYSFGDV-UUYOSTAYSA-N 0 0 471.267 5.291 40 30 JKEBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000034857193 569667549 /nfs/dbraw/zinc/66/75/49/569667549.db2.gz CPMATKLNUCDMGV-RCZSKKKRSA-N 0 0 451.588 5.870 40 30 JKEBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000034857191 569667567 /nfs/dbraw/zinc/66/75/67/569667567.db2.gz CPMATKLNUCDMGV-CZTZKLFOSA-N 0 0 451.588 5.870 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000034870639 569668302 /nfs/dbraw/zinc/66/83/02/569668302.db2.gz WLAFTTWFMPRGLS-VCHYOVAHSA-N 0 0 466.411 5.968 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000034880581 569668735 /nfs/dbraw/zinc/66/87/35/569668735.db2.gz HIWLERBZYLNEPN-LJQANCHMSA-N 0 0 485.613 5.148 40 30 JKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000034881075 569668867 /nfs/dbraw/zinc/66/88/67/569668867.db2.gz HWDKFHNOUPEISB-FQEVSTJZSA-N 0 0 485.997 5.445 40 30 JKEBRN CC1=C(C(=O)OC23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C2=C(N1)c1ccccc1C2=O ZINC000034889887 569669166 /nfs/dbraw/zinc/66/91/66/569669166.db2.gz RTZMSNLKULKPLA-LBGLONNKSA-N 0 0 451.566 5.767 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cccc(OC)c2o1 ZINC000035074191 569674275 /nfs/dbraw/zinc/67/42/75/569674275.db2.gz SGVKHNQQOSCKLJ-UHFFFAOYSA-N 0 0 499.936 5.178 40 30 JKEBRN N#Cc1cccc(Oc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)c1C#N ZINC000035140534 569675636 /nfs/dbraw/zinc/67/56/36/569675636.db2.gz ZLRWXRJMUAYMKP-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN N#Cc1cccc(Oc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1C#N ZINC000035140531 569675666 /nfs/dbraw/zinc/67/56/66/569675666.db2.gz OPEDKFOUYLQXED-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN N#Cc1ccc(Oc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)c2)cc1C#N ZINC000035140485 569675691 /nfs/dbraw/zinc/67/56/91/569675691.db2.gz COTCPMLPZOIYMR-NDEPHWFRSA-N 0 0 492.918 6.657 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1OC ZINC000035147149 569675767 /nfs/dbraw/zinc/67/57/67/569675767.db2.gz YENXKFXYSMIASY-RUZDIDTESA-N 0 0 491.971 5.487 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000035147148 569675783 /nfs/dbraw/zinc/67/57/83/569675783.db2.gz MJYGZSQDFCOMDR-VWLOTQADSA-N 0 0 491.971 5.487 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1OC ZINC000035147151 569675802 /nfs/dbraw/zinc/67/58/02/569675802.db2.gz YENXKFXYSMIASY-VWLOTQADSA-N 0 0 491.971 5.487 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147265 569675859 /nfs/dbraw/zinc/67/58/59/569675859.db2.gz YYYOMBPYEHTFAU-OZXNKBQZSA-N 0 0 497.591 5.487 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147484 569676040 /nfs/dbraw/zinc/67/60/40/569676040.db2.gz BYOAZLFJNDXOMD-RUZDIDTESA-N 0 0 481.508 5.206 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000035147495 569676199 /nfs/dbraw/zinc/67/61/99/569676199.db2.gz SECXPVRSFNAOPE-XMMPIXPASA-N 0 0 485.471 5.036 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035163951 569676366 /nfs/dbraw/zinc/67/63/66/569676366.db2.gz UDMLAANOSDVPCJ-MHZLTWQESA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164180 569676376 /nfs/dbraw/zinc/67/63/76/569676376.db2.gz LYZIXLDZUXGKGD-QHCPKHFHSA-N 0 0 492.984 5.712 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)c2c1 ZINC000035164144 569676388 /nfs/dbraw/zinc/67/63/88/569676388.db2.gz OEDMRAWLUSLZDL-AREMUKBSSA-N 0 0 498.579 5.888 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164205 569676443 /nfs/dbraw/zinc/67/64/43/569676443.db2.gz MRNCXUAHEDNRBB-RUZDIDTESA-N 0 0 486.593 5.621 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3ccccc3)c2c1 ZINC000035164030 569676471 /nfs/dbraw/zinc/67/64/71/569676471.db2.gz QDMKLWGCRSPTMA-ZRAZOOHCSA-N 0 0 478.548 5.397 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164080 569676475 /nfs/dbraw/zinc/67/64/75/569676475.db2.gz WRLKEMBMQJZRDU-YMQVXYQWSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035163949 569676478 /nfs/dbraw/zinc/67/64/78/569676478.db2.gz UDMLAANOSDVPCJ-HHHXNRCGSA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164300 569676540 /nfs/dbraw/zinc/67/65/40/569676540.db2.gz GHPKKPWXJBOFJA-MHZLTWQESA-N 0 0 484.527 5.066 40 30 JKEBRN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164945 569676777 /nfs/dbraw/zinc/67/67/77/569676777.db2.gz OGIVTXGSSRUWRV-MHZLTWQESA-N 0 0 496.563 5.396 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164849 569676814 /nfs/dbraw/zinc/67/68/14/569676814.db2.gz NVMIDXKMBACJSO-AREMUKBSSA-N 0 0 466.537 5.306 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3Cl)c2c1 ZINC000035164872 569676855 /nfs/dbraw/zinc/67/68/55/569676855.db2.gz PJZBCRDZAJARME-VWLOTQADSA-N 0 0 486.955 5.651 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000035164904 569676869 /nfs/dbraw/zinc/67/68/69/569676869.db2.gz RXMZHOMAKRQSMC-MUUNZHRXSA-N 0 0 494.591 6.121 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(Cl)cc3Cl)c2c1 ZINC000035164841 569676871 /nfs/dbraw/zinc/67/68/71/569676871.db2.gz TZWPNTMOLNNDFD-OAQYLSRUSA-N 0 0 459.329 5.010 40 30 JKEBRN Cc1c(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000035190349 569677945 /nfs/dbraw/zinc/67/79/45/569677945.db2.gz QSFNISSINWWVQX-MXAYSNPKSA-N 0 0 464.323 5.510 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000035386023 569686941 /nfs/dbraw/zinc/68/69/41/569686941.db2.gz VBRDRAWVANTVAH-CYBMUJFWSA-N 0 0 481.836 6.208 40 30 JKEBRN CCCCCCCCCCCCOC(=O)[C@H](O)[C@H](O)C(=O)OCCCCCCCCCCCC ZINC000068562475 569691171 /nfs/dbraw/zinc/69/11/71/569691171.db2.gz XDQOYCJMMFRBQS-WMPKNSHKSA-N 0 0 486.734 6.636 40 30 JKEBRN CCCCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000068603659 569691486 /nfs/dbraw/zinc/69/14/86/569691486.db2.gz PEZRHVOOZRTZPV-SGWCAAJKSA-N 0 0 468.594 7.658 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)Oc1ccc(-c2nc3ccccc3s2)cc1OC ZINC000068603704 569691520 /nfs/dbraw/zinc/69/15/20/569691520.db2.gz TVWOLTLSJMJVJH-UHFFFAOYSA-N 0 0 495.729 9.359 40 30 JKEBRN CC(C)n1c(C=CC(=O)C[C@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000071615098 569697168 /nfs/dbraw/zinc/69/71/68/569697168.db2.gz IZJOKSSEMQWDSZ-MTVZPNFRSA-N 0 0 465.565 6.093 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3cc(C)ccc3C(C)C)c(C)c2s1 ZINC000072228820 569700532 /nfs/dbraw/zinc/70/05/32/569700532.db2.gz YNFVLTURKRSXMG-QRQIAZFYSA-N 0 0 452.624 6.560 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3Cl)c(C)c2s1 ZINC000072228835 569700560 /nfs/dbraw/zinc/70/05/60/569700560.db2.gz IHTLRPXMISDTQI-ZRGSRPPYSA-N 0 0 465.406 6.435 40 30 JKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000072228862 569700600 /nfs/dbraw/zinc/70/06/00/569700600.db2.gz GCBDSVCRUYMQLY-UHFFFAOYSA-N 0 0 465.406 6.354 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(C)c2s1 ZINC000072228871 569700613 /nfs/dbraw/zinc/70/06/13/569700613.db2.gz KZCJGDDEZXEUBJ-NPRZVAMDSA-N 0 0 479.433 6.824 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3c(C)cc(Cl)cc3Cl)c(C)c2s1 ZINC000072228861 569700620 /nfs/dbraw/zinc/70/06/20/569700620.db2.gz PJAWYWRRMMDLDU-WKIKZPBSSA-N 0 0 479.433 6.744 40 30 JKEBRN CC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1 ZINC000072230254 569700863 /nfs/dbraw/zinc/70/08/63/569700863.db2.gz FFCAQAMSNUWGIX-UHFFFAOYSA-N 0 0 496.851 6.027 40 30 JKEBRN CC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000072230258 569700947 /nfs/dbraw/zinc/70/09/47/569700947.db2.gz OCJNMNGAVCMVBW-UHFFFAOYSA-N 0 0 496.851 6.027 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)ccc1OCc1ccccc1Cl ZINC000035645749 569705825 /nfs/dbraw/zinc/70/58/25/569705825.db2.gz ZRFZABYEYATRHY-OEAKJJBVSA-N 0 0 499.419 6.863 40 30 JKEBRN O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035646695 569705850 /nfs/dbraw/zinc/70/58/50/569705850.db2.gz POJSFQFEKAFGBO-WQRHYEAKSA-N 0 0 470.304 5.509 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000035646244 569705883 /nfs/dbraw/zinc/70/58/83/569705883.db2.gz NNKHBXDAYCFMKR-MFOYZWKCSA-N 0 0 484.191 7.452 40 30 JKEBRN CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O ZINC000077312070 569705961 /nfs/dbraw/zinc/70/59/61/569705961.db2.gz AHLBNYSZXLDEJQ-WKAQUBQDSA-N 0 0 495.745 6.882 40 30 in-vitro JKEBRN CCOc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000078549563 569706254 /nfs/dbraw/zinc/70/62/54/569706254.db2.gz XJPIALRFFUIULI-SSEXGKCCSA-N 0 0 488.587 6.731 40 30 JKEBRN CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCC ZINC000081957137 569707978 /nfs/dbraw/zinc/70/79/78/569707978.db2.gz UGHVFDVVZRNMHY-FOCLMDBBSA-N 0 0 450.792 10.488 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)SC1=S ZINC000083293154 569708401 /nfs/dbraw/zinc/70/84/01/569708401.db2.gz JNCNHBDBXBHARM-JLPGSUDCSA-N 0 0 461.608 6.205 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCCSc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000083311786 569708452 /nfs/dbraw/zinc/70/84/52/569708452.db2.gz WAMHVZUMHPFFIR-RCCKNPSSSA-N 0 0 457.642 5.562 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000083309675 569708468 /nfs/dbraw/zinc/70/84/68/569708468.db2.gz TXSBYIMEKJXZLJ-JJFYIABZSA-N 0 0 470.425 6.909 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000083309966 569708474 /nfs/dbraw/zinc/70/84/74/569708474.db2.gz ZFLLNRAUNKRZMK-QRVIBDJDSA-N 0 0 494.458 6.234 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309971 569708477 /nfs/dbraw/zinc/70/84/77/569708477.db2.gz HPARGACYLIDIJO-QRVIBDJDSA-N 0 0 450.007 6.124 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000083309969 569708510 /nfs/dbraw/zinc/70/85/10/569708510.db2.gz QTSKAODORIPROR-MIXAMLLLSA-N 0 0 491.660 7.138 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309699 569708513 /nfs/dbraw/zinc/70/85/13/569708513.db2.gz MUJSADAOLFJPEN-NDENLUEZSA-N 0 0 456.398 6.601 40 30 JKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1 ZINC000083316745 569708573 /nfs/dbraw/zinc/70/85/73/569708573.db2.gz XMEHABVWNCPTBU-NHDPSOOVSA-N 0 0 457.382 6.630 40 30 JKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(OC)c1 ZINC000083333047 569708725 /nfs/dbraw/zinc/70/87/25/569708725.db2.gz RMMLXLVEXRAHGV-WQRHYEAKSA-N 0 0 450.391 5.740 40 30 JKEBRN COCCCN1C(=O)C(=Nc2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000085409701 569710581 /nfs/dbraw/zinc/71/05/81/569710581.db2.gz DWDOKVXHWHPBDO-HHHXNRCGSA-N 0 0 454.570 5.472 40 30 JKEBRN Cc1cc(C)c(C(=O)c2sc3c(c2N)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000095117497 569722010 /nfs/dbraw/zinc/72/20/10/569722010.db2.gz YIAQQLPJNXYRAS-QFIPXVFZSA-N 0 0 470.638 6.687 40 30 JKEBRN COC(=O)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C(=O)OC)cc4)cc3)cc2)cc1 ZINC000096310122 569740132 /nfs/dbraw/zinc/74/01/32/569740132.db2.gz JZARSHGHAPQOOY-GKTLAHRSSA-N 0 0 476.532 6.428 40 30 JKEBRN O=C(/C=N/c1cc2c(cc1Br)-c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000100183610 569754912 /nfs/dbraw/zinc/75/49/12/569754912.db2.gz LTFJRMQAOJNKPG-BHGWPJFGSA-N 0 0 469.132 6.008 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1 ZINC000097964953 569747925 /nfs/dbraw/zinc/74/79/25/569747925.db2.gz MQZVXLJSZWXAJT-YRKOIEFQSA-N 0 0 461.635 6.382 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=N)S1 ZINC000097964956 569748020 /nfs/dbraw/zinc/74/80/20/569748020.db2.gz BYAQZLVVNKPBEM-FBJHWAPASA-N 0 0 497.668 7.227 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=N)S1 ZINC000097964970 569748100 /nfs/dbraw/zinc/74/81/00/569748100.db2.gz DWMBWPLCKAZNSF-NJIOILOSSA-N 0 0 496.080 7.036 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=N)S1 ZINC000097964965 569748112 /nfs/dbraw/zinc/74/81/12/569748112.db2.gz NSXIKBFQMQJWRF-SNCYIGMASA-N 0 0 475.662 6.691 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=N)S1 ZINC000097964971 569748123 /nfs/dbraw/zinc/74/81/23/569748123.db2.gz FZBDOUOOQRKMTA-SUJAKXCHSA-N 0 0 489.689 7.197 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=N)S1 ZINC000097964955 569748132 /nfs/dbraw/zinc/74/81/32/569748132.db2.gz IABZRWGLLHJMIM-KYTOZCRMSA-N 0 0 482.053 6.727 40 30 JKEBRN CCCCCCCCOc1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000097980929 569748336 /nfs/dbraw/zinc/74/83/36/569748336.db2.gz MNSNKEDPLJHFEJ-GBCYJOOSSA-N 0 0 487.547 5.828 40 30 JKEBRN CCCCCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1 ZINC000097980940 569748473 /nfs/dbraw/zinc/74/84/73/569748473.db2.gz VDAWLCGEVVUBLQ-LGUFXXKBSA-N 0 0 460.644 5.297 40 30 JKEBRN CCCCCCCCCCn1c2ccccc2nc1[C@H](CCSC)NC(=O)c1ccccc1 ZINC000098005930 569749427 /nfs/dbraw/zinc/74/94/27/569749427.db2.gz WMXXDSJGFGYADC-VWLOTQADSA-N 0 0 465.707 7.401 40 30 JKEBRN CC(=O)Nc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000100070180 569752421 /nfs/dbraw/zinc/75/24/21/569752421.db2.gz UMLPMMSAUZAFFC-QNKGDIEWSA-N 0 0 490.006 8.174 40 30 JKEBRN CC(=O)Nc1ccc(/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc32)cc1 ZINC000100070207 569752427 /nfs/dbraw/zinc/75/24/27/569752427.db2.gz HUBCFIPDJOWNHT-OKCVXOCRSA-N 0 0 498.991 7.636 40 30 JKEBRN CCOC(=O)C(O)=CC(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000100074589 569752551 /nfs/dbraw/zinc/75/25/51/569752551.db2.gz LAMKNQRQSUOLNK-QQXSKIMKSA-N 0 0 474.553 6.156 40 30 JKEBRN C[C@H](Sc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1)C(=O)Nc1nccs1 ZINC000100097198 569752879 /nfs/dbraw/zinc/75/28/79/569752879.db2.gz JLLJYJXNXSABCH-QPDIMOPTSA-N 0 0 477.011 6.415 40 30 JKEBRN C[C@@H](Sc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1)C(=O)Nc1nccs1 ZINC000100097346 569752896 /nfs/dbraw/zinc/75/28/96/569752896.db2.gz GTYANOBQJPXCLQ-VTGBELTLSA-N 0 0 469.573 5.531 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000100099324 569752996 /nfs/dbraw/zinc/75/29/96/569752996.db2.gz QYKDJHXTJINLAV-LQKURTRISA-N 0 0 471.384 6.168 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000100116100 569753171 /nfs/dbraw/zinc/75/31/71/569753171.db2.gz OVMHOQGDRFINIP-BIEDDHLVSA-N 0 0 490.072 7.684 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000100116090 569753179 /nfs/dbraw/zinc/75/31/79/569753179.db2.gz UQCZCMSNUCSZLK-OQJTVLEQSA-N 0 0 469.654 7.339 40 30 JKEBRN Cc1cccc(N2C(=O)C[C@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)c1 ZINC000100133092 569753411 /nfs/dbraw/zinc/75/34/11/569753411.db2.gz CCFKCJJGYLPFJU-SFHVURJKSA-N 0 0 473.501 5.433 40 30 JKEBRN Cc1cccc(/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc32)c1 ZINC000100145239 569753883 /nfs/dbraw/zinc/75/38/83/569753883.db2.gz UXZSACVIRQSJAG-MUFRIFMGSA-N 0 0 455.966 7.986 40 30 JKEBRN CCCCCCCC/C(=N\N=C(/CCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000100165876 569754511 /nfs/dbraw/zinc/75/45/11/569754511.db2.gz AMMREJATYWNWSK-FMWAKIAMSA-N 0 0 492.748 9.398 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)c2c(Br)sc(Br)c2C1=O ZINC000100190215 569755045 /nfs/dbraw/zinc/75/50/45/569755045.db2.gz PFMZNXNFQFEBMQ-UHFFFAOYSA-N 0 0 479.278 6.790 40 30 JKEBRN CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)ccc1O ZINC000100209606 569755488 /nfs/dbraw/zinc/75/54/88/569755488.db2.gz RJQMZDUBKGOZEC-XODNFHPESA-N 0 0 463.839 6.784 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 ZINC000100212172 569755641 /nfs/dbraw/zinc/75/56/41/569755641.db2.gz ODIQYHQERVNTRS-RDRPBHBLSA-N 0 0 499.592 7.081 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000100224463 569755825 /nfs/dbraw/zinc/75/58/25/569755825.db2.gz PTCLGCMAPUMXSF-RWPZCVJISA-N 0 0 492.984 6.882 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OCC)c1O ZINC000100222789 569755828 /nfs/dbraw/zinc/75/58/28/569755828.db2.gz PTYIAUSVZRFVNU-BRHJTBNZSA-N 0 0 456.567 6.328 40 30 JKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)C)cc2)c1O ZINC000100248107 569756207 /nfs/dbraw/zinc/75/62/07/569756207.db2.gz WCIZVSDBKLDLCV-OKCVXOCRSA-N 0 0 457.492 7.650 40 30 JKEBRN CN(C)c1ccc(/C=N/c2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)cc1[N+](=O)[O-] ZINC000100252100 569756305 /nfs/dbraw/zinc/75/63/05/569756305.db2.gz YAYPUWUBIWOFBT-AFUMVMLFSA-N 0 0 491.598 5.752 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OCC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000100260199 569756549 /nfs/dbraw/zinc/75/65/49/569756549.db2.gz CMXGLWYMUWEUSU-SGXAETBLSA-N 0 0 451.548 5.010 40 30 JKEBRN N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000100275571 569756618 /nfs/dbraw/zinc/75/66/18/569756618.db2.gz IYVRGANCHKSUFV-QADAMMDLSA-N 0 0 478.577 5.917 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000100274627 569756642 /nfs/dbraw/zinc/75/66/42/569756642.db2.gz LARZLOWPWUXZNV-YDZHTSKRSA-N 0 0 481.379 6.278 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1 ZINC000100292746 569756919 /nfs/dbraw/zinc/75/69/19/569756919.db2.gz SMCBDXVQULAPJI-WYMPLXKRSA-N 0 0 469.975 6.909 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000100292730 569756965 /nfs/dbraw/zinc/75/69/65/569756965.db2.gz ZTINWJDLPRKMIB-FSJBWODESA-N 0 0 480.527 6.164 40 30 JKEBRN CCCCCCCCCCCCCCCCCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000100306995 569757175 /nfs/dbraw/zinc/75/71/75/569757175.db2.gz PXPSGEPGXAQUEB-UHFFFAOYSA-N 0 0 465.747 10.077 40 30 JKEBRN Cc1cc(N2CCOCC2)ccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2cccnc2)C1=O ZINC000100314809 569757236 /nfs/dbraw/zinc/75/72/36/569757236.db2.gz QKGNRCWCYGMIIN-XJBRANNNSA-N 0 0 470.598 5.031 40 30 JKEBRN CCCCCCCCOP(=O)(OCCCCCCCC)[C@@H](O)C(Cl)(Cl)Cl ZINC000100313829 569757249 /nfs/dbraw/zinc/75/72/49/569757249.db2.gz GIEAGMCBWYPSKT-QGZVFWFLSA-N 0 0 453.815 7.622 40 30 JKEBRN COc1ccc(O)c(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)c1 ZINC000100325150 569757517 /nfs/dbraw/zinc/75/75/17/569757517.db2.gz SWRDERATQUXSTC-OPEKNORGSA-N 0 0 475.422 7.360 40 30 JKEBRN COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)c(OC)c1 ZINC000100332839 569757597 /nfs/dbraw/zinc/75/75/97/569757597.db2.gz SWOCKQCVKJVQPE-YDZHTSKRSA-N 0 0 451.529 6.124 40 30 JKEBRN COc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000100349620 569757815 /nfs/dbraw/zinc/75/78/15/569757815.db2.gz KCXCGIQLBHOGSI-RUMWWMSVSA-N 0 0 462.980 8.224 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1 ZINC000100355387 569757890 /nfs/dbraw/zinc/75/78/90/569757890.db2.gz SUTJJFAUYJPUHU-BYNJWEBRSA-N 0 0 466.179 8.400 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000100355455 569757992 /nfs/dbraw/zinc/75/79/92/569757992.db2.gz XQLHPVHMXQIBRU-WEMUOSSPSA-N 0 0 476.731 7.654 40 30 JKEBRN COc1cccc(C=Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)c1O ZINC000100370726 569758323 /nfs/dbraw/zinc/75/83/23/569758323.db2.gz QYMGACQPFXHOAJ-BRJLIKDPSA-N 0 0 452.532 5.875 40 30 JKEBRN CCOc1cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)ccc1OCC(=O)N1CCCCC1 ZINC000100384159 569758436 /nfs/dbraw/zinc/75/84/36/569758436.db2.gz KSGFWFBBJBHBQF-ZCTHSVRISA-N 0 0 497.595 6.344 40 30 JKEBRN CCCC(=O)Nc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000100384313 569758474 /nfs/dbraw/zinc/75/84/74/569758474.db2.gz OVSQMMXUCSBCIZ-RWPZCVJISA-N 0 0 499.380 6.665 40 30 JKEBRN O=C(Oc1ccc2ccccc2c1/C=N/c1cccc2ccccc21)c1sc2ccccc2c1Cl ZINC000100392201 569758554 /nfs/dbraw/zinc/75/85/54/569758554.db2.gz LYYNYAOCGNHWGS-KCSSXMTESA-N 0 0 491.999 8.831 40 30 JKEBRN Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc4ccccc4c3)c2-c2ccccc2)cc1 ZINC000100396889 569758879 /nfs/dbraw/zinc/75/88/79/569758879.db2.gz LQZPAEDSCFOPDE-QCFMCPCVSA-N 0 0 483.014 9.369 40 30 JKEBRN O=C(Oc1ccccc1/C=N/c1ccccc1C(F)(F)F)c1sc2ccccc2c1Cl ZINC000100405463 569759263 /nfs/dbraw/zinc/75/92/63/569759263.db2.gz SXIVFTSASSQSTC-XODNFHPESA-N 0 0 459.876 7.543 40 30 JKEBRN Fc1ccc(/C=N/c2ccc3nc(S[C@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)cc1 ZINC000100413573 569759345 /nfs/dbraw/zinc/75/93/45/569759345.db2.gz WMOQKROGWXPCID-FYFIDXDESA-N 0 0 489.040 8.721 40 30 JKEBRN CCCCCCCCCCCCCCSC(=S)N(CCC(=O)OC)CCC(=O)OC ZINC000100927961 569776154 /nfs/dbraw/zinc/77/61/54/569776154.db2.gz DQQSJQYKHUPRNE-UHFFFAOYSA-N 0 0 461.734 6.134 40 30 JKEBRN Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000036476572 569776170 /nfs/dbraw/zinc/77/61/70/569776170.db2.gz MXKALCDXTUREKU-QRVIBDJDSA-N 0 0 488.398 5.328 40 30 JKEBRN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100437211 569761063 /nfs/dbraw/zinc/76/10/63/569761063.db2.gz AHKHCBAWPWCHQW-WITODYBWSA-N 0 0 490.628 6.938 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000100457639 569761588 /nfs/dbraw/zinc/76/15/88/569761588.db2.gz SHXCXHLKFHPJOA-KKMKTNMSSA-N 0 0 487.528 6.502 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 ZINC000100480984 569761893 /nfs/dbraw/zinc/76/18/93/569761893.db2.gz BIDUOVZHADLXEK-DICXZTSXSA-N 0 0 475.526 6.069 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(Cl)c3)c2-c2ccccc2)cc1 ZINC000100477751 569761939 /nfs/dbraw/zinc/76/19/39/569761939.db2.gz VYDCFVPWKNOQHP-AJBULDERSA-N 0 0 477.951 8.124 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4ccc(F)c5ccccc45)sc3c2)c1 ZINC000100481877 569761941 /nfs/dbraw/zinc/76/19/41/569761941.db2.gz JQICQQJYTMSPTF-MZJWZYIUSA-N 0 0 473.554 7.540 40 30 JKEBRN Fc1c(F)c(F)c(OC(F)(F)[C@](F)(Br)C(F)(F)Br)c(F)c1F ZINC000100479805 569761966 /nfs/dbraw/zinc/76/19/66/569761966.db2.gz VVJLCNGNGSDDCF-ZETCQYMHSA-N 0 0 473.886 5.402 40 30 JKEBRN Cc1cc(-c2ccc(/N=C/c3ccccc3[N+](=O)[O-])c(C)c2)ccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000100494958 569762274 /nfs/dbraw/zinc/76/22/74/569762274.db2.gz KCACOLIFHPPZRS-YAGSLNJISA-N 0 0 478.508 7.288 40 30 JKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000100499510 569762615 /nfs/dbraw/zinc/76/26/15/569762615.db2.gz NBAFUGPIOUWLPB-VORAFHTJSA-N 0 0 478.426 6.162 40 30 JKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1-c1ccccc1 ZINC000100499345 569762618 /nfs/dbraw/zinc/76/26/18/569762618.db2.gz GSIKJADURZBFQU-GZCDXWOBSA-N 0 0 485.634 6.522 40 30 JKEBRN C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc2ccccc21 ZINC000100499456 569762621 /nfs/dbraw/zinc/76/26/21/569762621.db2.gz OCXPWMPLSZCHBI-QPRJYHLLSA-N 0 0 459.596 6.009 40 30 JKEBRN C[C@](F)(OC(F)(F)Br)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100502137 569762894 /nfs/dbraw/zinc/76/28/94/569762894.db2.gz RYSNCKZGOWLIRE-REOHCLBHSA-N 0 0 476.986 5.669 40 30 JKEBRN CCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCC ZINC000100503838 569762919 /nfs/dbraw/zinc/76/29/19/569762919.db2.gz WUIBTWNSOAVPHS-XINOORGGSA-N 0 0 462.803 10.654 40 30 JKEBRN CCCCCCCCCCCCCC(=O)N[C@H](C(=O)OCC)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000100538219 569764067 /nfs/dbraw/zinc/76/40/67/569764067.db2.gz UTGOKSDBEANMKG-BJKOFHAPSA-N 0 0 464.603 5.377 40 30 JKEBRN O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100545987 569764108 /nfs/dbraw/zinc/76/41/08/569764108.db2.gz PHECZQIOXLGUBC-LLVKDONJSA-N 0 0 470.502 5.780 40 30 JKEBRN CCOC(=O)c1ccc(/N=C2/S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CC)cc1 ZINC000100545928 569764186 /nfs/dbraw/zinc/76/41/86/569764186.db2.gz MWCKLXDLUNVDKA-JTGNMPLRSA-N 0 0 474.007 5.511 40 30 JKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000100593516 569765424 /nfs/dbraw/zinc/76/54/24/569765424.db2.gz HPBUSKYDRCOZPM-DCFHFQCYSA-N 0 0 491.584 5.114 40 30 JKEBRN N#CC(C#N)[C@H](c1ccc(Cl)cc1)C1C(=O)[C@@H](c2ccccc2)C(=S)[C@H](c2ccccc2)C1=O ZINC000100683646 569766825 /nfs/dbraw/zinc/76/68/25/569766825.db2.gz JHLGZEJHQPOMRM-RBZQAINGSA-N 0 0 482.992 6.419 40 30 JKEBRN CC1(C)CC(=O)C(C(c2nc(-c3ccccc3)n3ccccc23)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100835003 569771913 /nfs/dbraw/zinc/77/19/13/569771913.db2.gz LMJRFUBFSJBOAJ-AREMUKBSSA-N 0 0 484.596 5.861 40 30 JKEBRN C=CCSc1nc2c(c(-c3ccccc3)c1C#N)C[C@H]1[C@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000036367462 569773130 /nfs/dbraw/zinc/77/31/30/569773130.db2.gz KURWASYTAYGDNT-PASJGYMUSA-N 0 0 482.737 8.345 40 30 JKEBRN C=CCSc1nc2c(c(-c3ccccc3)c1C#N)C[C@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000036367464 569773138 /nfs/dbraw/zinc/77/31/38/569773138.db2.gz KURWASYTAYGDNT-OCARBFBLSA-N 0 0 482.737 8.345 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)/C(=C/c5ccco5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371731 569773587 /nfs/dbraw/zinc/77/35/87/569773587.db2.gz WFMIEDXFOXOURC-RFGLKKLPSA-N 0 0 478.761 9.353 40 30 JKEBRN CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@H]1O2 ZINC000036371738 569773591 /nfs/dbraw/zinc/77/35/91/569773591.db2.gz FXSMCIIJTCSGGX-JUDDIBEUSA-N 0 0 458.727 7.766 40 30 JKEBRN CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000100921145 569775905 /nfs/dbraw/zinc/77/59/05/569775905.db2.gz ZNXKBQSSTIHVPR-FIPQWBAWSA-N 0 0 453.673 7.388 40 30 JKEBRN CCOc1ccc(C(=O)C=C2Nc3ccccc3NC2=CC(=O)c2ccc(OCC)cc2)cc1 ZINC000100930529 569776302 /nfs/dbraw/zinc/77/63/02/569776302.db2.gz DKYDIXRFERKMLU-MFYXSQMNSA-N 0 0 454.526 5.855 40 30 JKEBRN CCCCCCCCCCOC(=S)SCCSC(=S)N(CCC#N)CCC#N ZINC000100934077 569776396 /nfs/dbraw/zinc/77/63/96/569776396.db2.gz UCKMLGBBOPUFNQ-UHFFFAOYSA-N 0 0 459.772 6.309 40 30 JKEBRN COc1cc(Br)c(Br)c(/C=N\c2ccc(N3CCCCC3)cc2)c1O ZINC000100933814 569776493 /nfs/dbraw/zinc/77/64/93/569776493.db2.gz XJPVAKFNPHWTQI-UUYOSTAYSA-N 0 0 468.189 5.667 40 30 JKEBRN Cc1ccc2nc(-c3cccc(N=CC4=CC(=[NH+][N-]c5cc(C)ccc5C)C=CC4=O)c3)oc2c1 ZINC000100936344 569776586 /nfs/dbraw/zinc/77/65/86/569776586.db2.gz RNZNMAPISLHVBC-PVPSGEEESA-N 0 0 460.537 8.292 40 30 JKEBRN CCOc1cc([C@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1OC(C)C ZINC000036611757 569777639 /nfs/dbraw/zinc/77/76/39/569777639.db2.gz KDFIFINQNKJSQI-NRFANRHFSA-N 0 0 462.384 5.192 40 30 JKEBRN Fc1ccc(/C=N/N=C(C(=N/N=C/c2ccc(F)cc2)/c2ccccc2)\c2ccccc2)cc1 ZINC000100951584 569777770 /nfs/dbraw/zinc/77/77/70/569777770.db2.gz DUSBNFIORNZSRB-LXHXTLHASA-N 0 0 450.492 6.311 40 30 JKEBRN C=CCN1C(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N/c1cccc2ccccc21 ZINC000100971593 569778132 /nfs/dbraw/zinc/77/81/32/569778132.db2.gz JQRARBZSNFDYAR-GJIYGYJRSA-N 0 0 454.595 6.109 40 30 JKEBRN CC1(C)CO/C(=C\C(=O)c2ccc(Br)cc2)N1C(=O)c1ccc(Br)cc1 ZINC000036625108 569778810 /nfs/dbraw/zinc/77/88/10/569778810.db2.gz IQLHJPMSGWLMEK-WQRHYEAKSA-N 0 0 479.168 5.187 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 ZINC000101007447 569779027 /nfs/dbraw/zinc/77/90/27/569779027.db2.gz NLHOKYCFGGZCHC-QFIPXVFZSA-N 0 0 495.561 5.741 40 30 JKEBRN C[C@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N)c1ccccc1 ZINC000036628041 569779040 /nfs/dbraw/zinc/77/90/40/569779040.db2.gz MXMMSHPFYPARLP-IBGZPJMESA-N 0 0 484.581 5.133 40 30 JKEBRN CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccc(F)c4)CC3)o2)cc1 ZINC000036629218 569779353 /nfs/dbraw/zinc/77/93/53/569779353.db2.gz IJZAJXYNFFCFIE-FMIVXFBMSA-N 0 0 458.537 5.116 40 30 JKEBRN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC000036724534 569780439 /nfs/dbraw/zinc/78/04/39/569780439.db2.gz LHCLXQPNGGHNII-OAQYLSRUSA-N 0 0 470.360 5.217 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc1Oc1nc(Cl)ncc1F ZINC000101107196 569783114 /nfs/dbraw/zinc/78/31/14/569783114.db2.gz NZIRPDWLEXZRKJ-GRSHGNNSSA-N 0 0 484.940 5.578 40 30 JKEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308016 569791109 /nfs/dbraw/zinc/79/11/09/569791109.db2.gz OLKYDTARNHTIRT-WMWGAKRSSA-N 0 0 493.050 5.088 40 30 JKEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101308203 569791143 /nfs/dbraw/zinc/79/11/43/569791143.db2.gz VAGFRBUJGBKBSG-ORCCHTDZSA-N 0 0 493.050 5.088 40 30 JKEBRN CC(=O)c1ccc(-c2ccc(C=Nc3sc4c(c3C(=O)NC3CCCCC3)CCCC4)o2)cc1 ZINC000101375004 569795060 /nfs/dbraw/zinc/79/50/60/569795060.db2.gz STZOPTHJKBNLMB-RHANQZHGSA-N 0 0 474.626 6.903 40 30 JKEBRN CCCCCCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(OCC)cc2)n(C)c1=O ZINC000101462320 569798479 /nfs/dbraw/zinc/79/84/79/569798479.db2.gz MRJRYRWKKIBPEV-UHFFFAOYSA-N 0 0 495.668 5.368 40 30 JKEBRN CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O ZINC000101462338 569798492 /nfs/dbraw/zinc/79/84/92/569798492.db2.gz XPOBUJDCQYWBBJ-UHFFFAOYSA-N 0 0 487.604 5.201 40 30 JKEBRN [O-]c1cc(Br)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c(Br)c1 ZINC000038162491 569799556 /nfs/dbraw/zinc/79/95/56/569799556.db2.gz FXDASAKPOQBEIO-FSJBWODESA-N 0 0 461.153 5.964 40 30 JKEBRN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)c(Cl)c1 ZINC000038162565 569799781 /nfs/dbraw/zinc/79/97/81/569799781.db2.gz SICMQZFKYHRPGT-OCSSWDANSA-N 0 0 466.924 6.188 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1O ZINC000038180026 569800241 /nfs/dbraw/zinc/80/02/41/569800241.db2.gz PMZQXGVVOIBTOB-NEZLHVBRSA-N 0 0 493.401 7.626 40 30 JKEBRN CCCCC(=O)Nc1cccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)c1 ZINC000038179873 569800255 /nfs/dbraw/zinc/80/02/55/569800255.db2.gz XZBFJWATULXROS-SSDVNMTOSA-N 0 0 484.188 5.805 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)ccc4O)c3)nc2c1 ZINC000038180045 569800289 /nfs/dbraw/zinc/80/02/89/569800289.db2.gz IPPSUNCVDAHSEA-DQKNBXDWSA-N 0 0 495.022 8.709 40 30 JKEBRN COc1ccc(/N=C(\c2ccccc2Cl)N(C(=O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000101548236 569801317 /nfs/dbraw/zinc/80/13/17/569801317.db2.gz JOOIRBRMYQNYGO-KDJFERLWSA-N 0 0 470.956 6.783 40 30 JKEBRN COc1ccc(Nc2c3cc(OC)ccc3nc(C(F)(F)C(F)(F)F)c2C(F)(F)F)cc1 ZINC000101537343 569801326 /nfs/dbraw/zinc/80/13/26/569801326.db2.gz JFJOHRVGNRMRGT-UHFFFAOYSA-N 0 0 466.328 6.669 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc(OC)c1OC ZINC000101549678 569801338 /nfs/dbraw/zinc/80/13/38/569801338.db2.gz BRDDNTBIPMQMBB-FFTYPLOUSA-N 0 0 474.582 5.559 40 30 JKEBRN C=CCN(C(=S)Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000101526561 569801421 /nfs/dbraw/zinc/80/14/21/569801421.db2.gz YYRPCAIMHLRURP-LJQANCHMSA-N 0 0 462.402 5.073 40 30 JKEBRN CCCCCCCOc1ccc([C@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000101581243 569801463 /nfs/dbraw/zinc/80/14/63/569801463.db2.gz IXSDORBWIIRTAN-LJAQVGFWSA-N 0 0 489.615 8.533 40 30 JKEBRN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccc(I)cc3)cs1)C2 ZINC000101579119 569801503 /nfs/dbraw/zinc/80/15/03/569801503.db2.gz HEZMCODURBLNTC-CBJFBRNBSA-N 0 0 451.377 6.029 40 30 JKEBRN COC(=O)/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)N(CCc2ccc(Cl)cc2)C1=O ZINC000101579043 569801508 /nfs/dbraw/zinc/80/15/08/569801508.db2.gz VSUWNYVMVUCEGD-YVSSEDFOSA-N 0 0 468.884 5.221 40 30 JKEBRN CCOc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccc(Cl)cc2)cc1 ZINC000101763987 569803929 /nfs/dbraw/zinc/80/39/29/569803929.db2.gz XRDRIRYFXPFGIK-MPDMENBGSA-N 0 0 458.989 6.694 40 30 JKEBRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@H]2[C@@]4(C)CC/C(=N\O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000038557294 569805278 /nfs/dbraw/zinc/80/52/78/569805278.db2.gz QXSNOJKVEVATLM-QKEXXJHYSA-N 0 0 455.727 7.707 40 30 JKEBRN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000102069501 569809316 /nfs/dbraw/zinc/80/93/16/569809316.db2.gz AUXNOSCVOCPIGZ-UQRQXUALSA-N 0 0 464.613 7.606 40 30 JKEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000040032985 569814380 /nfs/dbraw/zinc/81/43/80/569814380.db2.gz UUJMQXUTWBTPAX-FHMSYZJOSA-N 0 0 494.591 5.023 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000102584014 569814460 /nfs/dbraw/zinc/81/44/60/569814460.db2.gz HKFZPFIGJXKFRA-NSIKDUERSA-N 0 0 485.559 5.760 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000102876291 569826510 /nfs/dbraw/zinc/82/65/10/569826510.db2.gz NFDPKABXSHHMQI-HSHJPCDPSA-N 0 0 470.594 6.454 40 30 JKEBRN CC(C)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000102931601 569828374 /nfs/dbraw/zinc/82/83/74/569828374.db2.gz 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ITCJPTQUZBRVGH-RUZDIDTESA-N 0 0 461.974 5.433 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)ccc1OC ZINC000408705785 570024781 /nfs/dbraw/zinc/02/47/81/570024781.db2.gz NLBUMVGOSJJPKP-UHFFFAOYSA-N 0 0 456.951 5.130 40 30 JKEBRN CCN(c1ccc2sc(C(=O)Nc3cccc(C#N)c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000225852966 570024909 /nfs/dbraw/zinc/02/49/09/570024909.db2.gz OYUYNZOVCKSIBL-UHFFFAOYSA-N 0 0 475.595 5.549 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)ccc1OC ZINC000408706014 570024976 /nfs/dbraw/zinc/02/49/76/570024976.db2.gz SUOUZHBRKIXLMG-UHFFFAOYSA-N 0 0 491.396 5.784 40 30 JKEBRN CCN(c1ccc2sc(C(=O)Nc3cccc(C#N)c3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000225855923 570025030 /nfs/dbraw/zinc/02/50/30/570025030.db2.gz BCGDGMZUGSDWSG-UHFFFAOYSA-N 0 0 491.594 5.249 40 30 JKEBRN C[C@H]1Cc2cc(/C=C3/S/C(=N\c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)ccc2O1 ZINC000408710732 570025250 /nfs/dbraw/zinc/02/52/50/570025250.db2.gz HYRHEZIOPRVNNU-YECZWSKASA-N 0 0 481.404 7.125 40 30 JKEBRN N#Cc1c(/N=C/c2ccccc2Cl)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000408719033 570026223 /nfs/dbraw/zinc/02/62/23/570026223.db2.gz GNZZYMUDHYRDTN-XKJRVUDJSA-N 0 0 470.868 6.347 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000408718993 570026249 /nfs/dbraw/zinc/02/62/49/570026249.db2.gz DQCAVAUXEUJFSF-NKXCCORXSA-N 0 0 488.565 5.446 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(O)cc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000408719749 570026309 /nfs/dbraw/zinc/02/63/09/570026309.db2.gz QJDZLBIDCCWEBT-KVSWJAHQSA-N 0 0 452.422 5.399 40 30 JKEBRN COc1cc(OC)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1Br ZINC000408719419 570026314 /nfs/dbraw/zinc/02/63/14/570026314.db2.gz MKHFHBLIWOKHBT-MUFRIFMGSA-N 0 0 487.353 7.016 40 30 JKEBRN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 ZINC000408720353 570026402 /nfs/dbraw/zinc/02/64/02/570026402.db2.gz LLFQCTMVZDGHII-SSEXGKCCSA-N 0 0 492.575 7.934 40 30 JKEBRN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 ZINC000408720350 570026411 /nfs/dbraw/zinc/02/64/11/570026411.db2.gz LLFQCTMVZDGHII-PMERELPUSA-N 0 0 492.575 7.934 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408720541 570026498 /nfs/dbraw/zinc/02/64/98/570026498.db2.gz UBFKEQIAKCYBIJ-NDEPHWFRSA-N 0 0 498.966 7.971 40 30 JKEBRN COc1c(Br)cc(Br)cc1/C=C1\SC(=Nc2cc(C)ccc2C)NC1=O ZINC000408721373 570026864 /nfs/dbraw/zinc/02/68/64/570026864.db2.gz QFSYSTWWXPKGSO-PXNMLYILSA-N 0 0 496.224 5.729 40 30 JKEBRN COc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1Br ZINC000408721717 570027081 /nfs/dbraw/zinc/02/70/81/570027081.db2.gz XKDQJDHTJPXPGJ-LSHDLFTRSA-N 0 0 475.140 5.879 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1 ZINC000408722007 570027123 /nfs/dbraw/zinc/02/71/23/570027123.db2.gz OBOZLJYGKQMJIU-FZGPYELWSA-N 0 0 496.610 6.565 40 30 JKEBRN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c1 ZINC000408722008 570027127 /nfs/dbraw/zinc/02/71/27/570027127.db2.gz OBOZLJYGKQMJIU-TXAGPFMXSA-N 0 0 496.610 6.565 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408721888 570027238 /nfs/dbraw/zinc/02/72/38/570027238.db2.gz BBJATKSFFILFKT-CVKSISIWSA-N 0 0 492.398 7.461 40 30 JKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722356 570027329 /nfs/dbraw/zinc/02/73/29/570027329.db2.gz HOMBJSDQSVMSPQ-OGLMXYFKSA-N 0 0 455.583 7.822 40 30 JKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000408722467 570027345 /nfs/dbraw/zinc/02/73/45/570027345.db2.gz JCOCOZQDGUWZSX-VULFUBBASA-N 0 0 479.945 6.894 40 30 JKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(CC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722381 570027348 /nfs/dbraw/zinc/02/73/48/570027348.db2.gz HZNMCMWJLFGHJE-WPWMEQJKSA-N 0 0 457.555 7.097 40 30 JKEBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(C=Nc3ccccc3)c3ccccc3C2c2ccccc21 ZINC000408722671 570027443 /nfs/dbraw/zinc/02/74/43/570027443.db2.gz VSPPZSLEJIZDMM-HGAPVJMOSA-N 0 0 499.526 5.548 40 30 JKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3c(F)c(F)c(F)c(F)c3F)OC2)c2ccccc12 ZINC000225917903 570027465 /nfs/dbraw/zinc/02/74/65/570027465.db2.gz OXZMWQGRRHKCPI-UHFFFAOYSA-N 0 0 493.428 5.791 40 30 JKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000408723292 570027514 /nfs/dbraw/zinc/02/75/14/570027514.db2.gz STJKQRAXYJQDMF-CVKSISIWSA-N 0 0 475.526 6.249 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)c(C)c1 ZINC000408723797 570027641 /nfs/dbraw/zinc/02/76/41/570027641.db2.gz OMSBTXRUHPFUQA-RGVLZGJSSA-N 0 0 453.907 6.017 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)CCCC3 ZINC000408723725 570027671 /nfs/dbraw/zinc/02/76/71/570027671.db2.gz FAAHEOFIKRVOSD-VFLNYLIXSA-N 0 0 473.001 5.875 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408724293 570027770 /nfs/dbraw/zinc/02/77/70/570027770.db2.gz JSLVBCSVXSFQRD-FYJGNVAPSA-N 0 0 455.366 6.464 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl ZINC000408724366 570027785 /nfs/dbraw/zinc/02/77/85/570027785.db2.gz DCRSLZANDXJMMG-ZMFRSBBQSA-N 0 0 499.796 6.403 40 30 JKEBRN O=C(Oc1cccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408725033 570027925 /nfs/dbraw/zinc/02/79/25/570027925.db2.gz NQYGKZNOUUIOCN-DEDYPNTBSA-N 0 0 479.901 5.359 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)ccc1OCc1ccc(C)cc1 ZINC000408726177 570028131 /nfs/dbraw/zinc/02/81/31/570028131.db2.gz QSNXZILIQIEPLL-VTNSRFBWSA-N 0 0 490.559 5.855 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OC ZINC000408726967 570028221 /nfs/dbraw/zinc/02/82/21/570028221.db2.gz XCNLZGYQVFGIMC-BLEOTABNSA-N 0 0 458.583 6.519 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)SC1=CC1=CC(=NNc2ccccc2Cl)C=CC1=O ZINC000408726779 570028240 /nfs/dbraw/zinc/02/82/40/570028240.db2.gz UOHFNTLUSYALQG-CCSPBUMRSA-N 0 0 469.353 7.006 40 30 JKEBRN O=C1NC(=Nc2ccccc2)SC1=CC1=CC(=NNc2ccc(Cl)cc2Cl)C=CC1=O ZINC000408726791 570028250 /nfs/dbraw/zinc/02/82/50/570028250.db2.gz UWJJXVLVSQRVDV-ZQIHGNAVSA-N 0 0 469.353 7.006 40 30 JKEBRN COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000408729050 570028623 /nfs/dbraw/zinc/02/86/23/570028623.db2.gz CEOZRKPNHNCRFO-MTDXEUNCSA-N 0 0 456.567 5.346 40 30 JKEBRN C=CCOc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cn1 ZINC000225937345 570028624 /nfs/dbraw/zinc/02/86/24/570028624.db2.gz WFOBRRVVDSDKPB-UHFFFAOYSA-N 0 0 468.984 6.467 40 30 JKEBRN Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)c1C ZINC000408728977 570028625 /nfs/dbraw/zinc/02/86/25/570028625.db2.gz BIAQBUQZTJQBGB-RPPGKUMJSA-N 0 0 498.503 5.604 40 30 JKEBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3C)c2-c2ccccc2)cc1 ZINC000408729308 570028744 /nfs/dbraw/zinc/02/87/44/570028744.db2.gz AVVAWTCWAHZMDM-STKMKYKTSA-N 0 0 470.572 7.657 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=S ZINC000408729626 570028748 /nfs/dbraw/zinc/02/87/48/570028748.db2.gz HLZPFAYASIECLN-NBVRZTHBSA-N 0 0 483.376 5.983 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2)cc1 ZINC000408729737 570028802 /nfs/dbraw/zinc/02/88/02/570028802.db2.gz JBQATBCFVMLKHW-AJBULDERSA-N 0 0 496.632 6.072 40 30 JKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000408729667 570028816 /nfs/dbraw/zinc/02/88/16/570028816.db2.gz BWABXSLAHTWQCQ-FOKLQQMPSA-N 0 0 480.225 6.339 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408730103 570028901 /nfs/dbraw/zinc/02/89/01/570028901.db2.gz FJUTYIMTCKEMBJ-NJZRLIGZSA-N 0 0 457.533 7.779 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=S ZINC000408730137 570028916 /nfs/dbraw/zinc/02/89/16/570028916.db2.gz NTWZKWDOVCWBSS-HMMYKYKNSA-N 0 0 493.382 5.439 40 30 JKEBRN Oc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000408730019 570028927 /nfs/dbraw/zinc/02/89/27/570028927.db2.gz DGAAIXLIGRKKBI-AJBULDERSA-N 0 0 493.404 8.030 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(Br)c3)c2-c2ccccc2)cc1 ZINC000408730407 570029075 /nfs/dbraw/zinc/02/90/75/570029075.db2.gz GAFNBQLCXSGHKB-RUMWWMSVSA-N 0 0 491.432 8.633 40 30 JKEBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 ZINC000408730808 570029174 /nfs/dbraw/zinc/02/91/74/570029174.db2.gz HXRCSCVNNAJXRU-WEMUVCOSSA-N 0 0 456.545 7.349 40 30 JKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)c2ccccc12 ZINC000225945594 570029182 /nfs/dbraw/zinc/02/91/82/570029182.db2.gz BORUQSCVNFQDJH-UHFFFAOYSA-N 0 0 463.533 5.809 40 30 JKEBRN O=[N+]([O-])c1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)cc1Cl ZINC000408732025 570029438 /nfs/dbraw/zinc/02/94/38/570029438.db2.gz OFBLJGMXVODZBH-VJVWGREKSA-N 0 0 450.097 5.923 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2F)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408732915 570029664 /nfs/dbraw/zinc/02/96/64/570029664.db2.gz AYMHKGBWYLLJRE-MZJWZYIUSA-N 0 0 453.922 7.062 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc4ccccc4c3)c2-c2ccccc2)cc1 ZINC000408733468 570029732 /nfs/dbraw/zinc/02/97/32/570029732.db2.gz YABUSXAFFPLZIC-JWHWKPFMSA-N 0 0 462.596 9.024 40 30 JKEBRN CCOC(=O)CCOc1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1OC ZINC000408733271 570029767 /nfs/dbraw/zinc/02/97/67/570029767.db2.gz WUHXIODSLFFPOK-BMWVXGTQSA-N 0 0 482.352 5.048 40 30 JKEBRN CCOc1cc(/C=N/c2cccc3ccccc32)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408734203 570029833 /nfs/dbraw/zinc/02/98/33/570029833.db2.gz AZKDVGSENIYTPE-OCSSWDANSA-N 0 0 485.992 8.076 40 30 JKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1 ZINC000408734205 570029844 /nfs/dbraw/zinc/02/98/44/570029844.db2.gz CCYPHOMYBSRENG-RWPZCVJISA-N 0 0 493.968 6.710 40 30 JKEBRN COc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408733942 570029884 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/nfs/dbraw/zinc/04/35/98/570043598.db2.gz DKLCBYKBDOJTBA-NDEPHWFRSA-N 0 0 487.555 6.160 40 30 JKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 ZINC000408790015 570043805 /nfs/dbraw/zinc/04/38/05/570043805.db2.gz QAJIWUGMAYNNJI-ZMOGYAJESA-N 0 0 456.327 5.960 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408790154 570043839 /nfs/dbraw/zinc/04/38/39/570043839.db2.gz UJNVNMWENMMTQA-AREMUKBSSA-N 0 0 478.523 5.570 40 30 JKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408789850 570043859 /nfs/dbraw/zinc/04/38/59/570043859.db2.gz NYTBWGKIVJMYOD-FOKLQQMPSA-N 0 0 466.604 7.023 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408791109 570043999 /nfs/dbraw/zinc/04/39/99/570043999.db2.gz UEMZPFNZFNHQIH-XMMPIXPASA-N 0 0 483.524 5.052 40 30 JKEBRN CCc1ccc(-n2c(C)cc([C@H]3C4=C(NC(C)=C3C(=O)OC)c3ccccc3C4=O)c2C)cc1 ZINC000408794499 570044178 /nfs/dbraw/zinc/04/41/78/570044178.db2.gz 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OTSMNNUHGSJKGZ-OAQYLSRUSA-N 0 0 476.872 5.250 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000408796935 570044513 /nfs/dbraw/zinc/04/45/13/570044513.db2.gz QKVCTAFLMUPKIH-VWLOTQADSA-N 0 0 452.554 5.452 40 30 JKEBRN CC(C)Oc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408796096 570044551 /nfs/dbraw/zinc/04/45/51/570044551.db2.gz DLPCRWRPWBTWAG-DICXZTSXSA-N 0 0 459.055 6.881 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1OC ZINC000408797534 570044654 /nfs/dbraw/zinc/04/46/54/570044654.db2.gz GLTLIGJWONDVQR-NTFVMDSBSA-N 0 0 485.049 6.114 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408798107 570044779 /nfs/dbraw/zinc/04/47/79/570044779.db2.gz UHXMUQKTLLNKHN-HHHXNRCGSA-N 0 0 474.560 5.989 40 30 JKEBRN CCOC(=O)COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408799705 570044962 /nfs/dbraw/zinc/04/49/62/570044962.db2.gz HRZPDVUGNKQKLN-YUMHPJSZSA-N 0 0 468.619 5.382 40 30 JKEBRN N#Cc1ccc(COc2ccccc2/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408800556 570045296 /nfs/dbraw/zinc/04/52/96/570045296.db2.gz POUJMYHVBJRLBY-MZFJOGFUSA-N 0 0 497.664 6.891 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 ZINC000408801034 570045473 /nfs/dbraw/zinc/04/54/73/570045473.db2.gz SGZQISGKHYUEOD-NVJOKUIPSA-N 0 0 450.819 6.266 40 30 JKEBRN Cc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408801308 570045696 /nfs/dbraw/zinc/04/56/96/570045696.db2.gz VBBPDHVDGFNZAR-UHFFFAOYSA-N 0 0 477.610 5.808 40 30 JKEBRN C#CCOc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC ZINC000408801254 570045710 /nfs/dbraw/zinc/04/57/10/570045710.db2.gz UITGEGSNGVHQKI-PKAZHMFMSA-N 0 0 450.604 5.461 40 30 JKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 ZINC000408802132 570046018 /nfs/dbraw/zinc/04/60/18/570046018.db2.gz DIQKKHGODUPPDW-BAMHMFCISA-N 0 0 450.538 6.486 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC 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/nfs/dbraw/zinc/05/02/46/570050246.db2.gz RBJJPKNBRGEVIK-MXAYSNPKSA-N 0 0 482.565 6.106 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)c1 ZINC000408815207 570050258 /nfs/dbraw/zinc/05/02/58/570050258.db2.gz URYBMVFPWRHCBR-QFEZKATASA-N 0 0 472.013 6.851 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408815725 570050362 /nfs/dbraw/zinc/05/03/62/570050362.db2.gz RVUUSZKHXPIZHO-JJFYIABZSA-N 0 0 453.970 6.395 40 30 JKEBRN COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 ZINC000408815388 570050391 /nfs/dbraw/zinc/05/03/91/570050391.db2.gz JGMBWLHGXLJAHE-OYKKKHCWSA-N 0 0 485.540 5.507 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000408815810 570050471 /nfs/dbraw/zinc/05/04/71/570050471.db2.gz SFOUWEYRJQCYOJ-UNOMPAQXSA-N 0 0 461.370 5.604 40 30 JKEBRN O=C1CCCC2=C1[C@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)Nc1ccc3ccccc3c12 ZINC000408815835 570050481 /nfs/dbraw/zinc/05/04/81/570050481.db2.gz 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Cc1ccc(/N=C2\S/C(=C\c3cn(C)c4ccccc34)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408817013 570050849 /nfs/dbraw/zinc/05/08/49/570050849.db2.gz MOWIUIZKWSGTND-RESADBMFSA-N 0 0 465.622 7.221 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)SC1=S ZINC000408817583 570050889 /nfs/dbraw/zinc/05/08/89/570050889.db2.gz XYTBDLXPWDEOMK-WGARJPEWSA-N 0 0 488.722 6.949 40 30 JKEBRN O=C1NC(=Nc2cccc3ccccc32)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408817283 570050908 /nfs/dbraw/zinc/05/09/08/570050908.db2.gz VVENXIOTQLIERJ-PKAZHMFMSA-N 0 0 459.574 6.734 40 30 JKEBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/c3cccc(Cl)c3)o2)Cc2ccccc2)cc1 ZINC000408817269 570050980 /nfs/dbraw/zinc/05/09/80/570050980.db2.gz VQOZFQFEFMHYQP-OGLMXYFKSA-N 0 0 479.001 6.383 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408817646 570051012 /nfs/dbraw/zinc/05/10/12/570051012.db2.gz NQZCEDZVIJJVES-UQQQWYQISA-N 0 0 489.568 6.773 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)c1C ZINC000408817629 570051015 /nfs/dbraw/zinc/05/10/15/570051015.db2.gz WRPGSPLHSAMICB-QFEZKATASA-N 0 0 472.013 6.851 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408817988 570051056 /nfs/dbraw/zinc/05/10/56/570051056.db2.gz OKWDJZVAAKIRNV-KSEXSDGBSA-N 0 0 496.394 7.027 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408817976 570051081 /nfs/dbraw/zinc/05/10/81/570051081.db2.gz XHYULPOLYKYTPN-SANMLTNESA-N 0 0 460.371 6.841 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408817975 570051087 /nfs/dbraw/zinc/05/10/87/570051087.db2.gz XHYULPOLYKYTPN-AREMUKBSSA-N 0 0 460.371 6.841 40 30 JKEBRN COc1cccc(/N=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)c1 ZINC000408818030 570051179 /nfs/dbraw/zinc/05/11/79/570051179.db2.gz OSNRCRHPYKKDJX-MTDXEUNCSA-N 0 0 474.582 5.738 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(Nc2cc(C)ccc2OC)NC1=O ZINC000408818945 570051402 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490.390 7.072 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408820482 570051829 /nfs/dbraw/zinc/05/18/29/570051829.db2.gz WLCWGEBJOBFHQD-WQRHYEAKSA-N 0 0 478.795 6.076 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408820635 570051885 /nfs/dbraw/zinc/05/18/85/570051885.db2.gz XPLXRSZCYVTANP-JVWAILMASA-N 0 0 495.442 6.957 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1I ZINC000408822337 570052127 /nfs/dbraw/zinc/05/21/27/570052127.db2.gz LRPPZSWFXAHVMR-ATVHPVEESA-N 0 0 463.296 5.097 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408823609 570052207 /nfs/dbraw/zinc/05/22/07/570052207.db2.gz NZTYHCRRDSKUJQ-LQNQUEJISA-N 0 0 483.637 7.051 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408826921 570052424 /nfs/dbraw/zinc/05/24/24/570052424.db2.gz UFLYNZQRCUPBRM-UHFFFAOYSA-N 0 0 476.363 6.764 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccccc3F)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408827882 570052522 /nfs/dbraw/zinc/05/25/22/570052522.db2.gz KXBPLMZTIADCOW-STBIYBPSSA-N 0 0 476.573 6.177 40 30 JKEBRN Cc1c(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1C ZINC000408827981 570052556 /nfs/dbraw/zinc/05/25/56/570052556.db2.gz VMMNVQYJHODRGN-NGEORXKJSA-N 0 0 479.649 7.529 40 30 JKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1Cl ZINC000408831076 570052650 /nfs/dbraw/zinc/05/26/50/570052650.db2.gz PMBNRVDJQZYCIK-NTFVMDSBSA-N 0 0 453.007 6.360 40 30 JKEBRN COc1ccccc1/N=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408829404 570052687 /nfs/dbraw/zinc/05/26/87/570052687.db2.gz FWMVQJREIGUWKC-RDRPBHBLSA-N 0 0 488.609 6.047 40 30 JKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)o1)CCCC2 ZINC000408837884 570053335 /nfs/dbraw/zinc/05/33/35/570053335.db2.gz PGKACYZMCKQGIE-MUXKCCDJSA-N 0 0 493.516 6.208 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408840146 570053457 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RONJEPXRGCPFOT-HQAJQCFLSA-N 0 0 479.649 7.402 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000408913814 570074232 /nfs/dbraw/zinc/07/42/32/570074232.db2.gz UGLBQOGLDRZZDC-KKPGAIEDSA-N 0 0 486.593 5.994 40 30 JKEBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408913990 570074246 /nfs/dbraw/zinc/07/42/46/570074246.db2.gz RYEUJUUUMFNSEH-BQDPPGCGSA-N 0 0 467.594 6.460 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408913895 570074284 /nfs/dbraw/zinc/07/42/84/570074284.db2.gz UZTNWCWARKYMCP-BDOZFWBASA-N 0 0 472.566 5.433 40 30 JKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccccc1 ZINC000408914209 570074384 /nfs/dbraw/zinc/07/43/84/570074384.db2.gz WDKFFVXSGVLCPZ-OXOFAPQTSA-N 0 0 479.399 6.520 40 30 JKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccccc1 ZINC000408914205 570074387 /nfs/dbraw/zinc/07/43/87/570074387.db2.gz WDKFFVXSGVLCPZ-AWBWHEFQSA-N 0 0 479.399 6.520 40 30 JKEBRN COc1cc(Cl)c(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1OC ZINC000408914178 570074402 /nfs/dbraw/zinc/07/44/02/570074402.db2.gz VWXFABIMWDUTHE-LGLSNDPVSA-N 0 0 479.001 6.722 40 30 JKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000408914200 570074404 /nfs/dbraw/zinc/07/44/04/570074404.db2.gz WCHKQXACTMMJKQ-GFYHBDFCSA-N 0 0 464.590 6.695 40 30 JKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000408914187 570074418 /nfs/dbraw/zinc/07/44/18/570074418.db2.gz OIHGYTOONWJMEA-KCSSXMTESA-N 0 0 473.060 7.975 40 30 JKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1C1CCCCC1 ZINC000408914309 570074520 /nfs/dbraw/zinc/07/45/20/570074520.db2.gz ULEJYRBRCJMFKE-JTXWBVMGSA-N 0 0 496.676 7.765 40 30 JKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 ZINC000408914441 570074527 /nfs/dbraw/zinc/07/45/27/570074527.db2.gz XVGRHWLXRKJGCK-YSMPRRRNSA-N 0 0 476.330 6.536 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000408914411 570074561 /nfs/dbraw/zinc/07/45/61/570074561.db2.gz UTZBJCVYTKCUKJ-LBMUFILHSA-N 0 0 451.548 5.849 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1OC ZINC000408914321 570074552 /nfs/dbraw/zinc/07/45/52/570074552.db2.gz UMMJCQAIPDWHSR-UINIZAEWSA-N 0 0 450.604 6.339 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)S/C1=N\c1c(C)cccc1C ZINC000408914352 570074584 /nfs/dbraw/zinc/07/45/84/570074584.db2.gz WJSLNWIPGOFLPF-ACQOKJFWSA-N 0 0 465.622 6.930 40 30 JKEBRN CCCCCOc1c(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cccc1OC ZINC000408914724 570074645 /nfs/dbraw/zinc/07/46/45/570074645.db2.gz XHVLPPHXZZVIBH-DKCMOLDMSA-N 0 0 452.620 6.505 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000408914688 570074655 /nfs/dbraw/zinc/07/46/55/570074655.db2.gz XFADTLCNDMJSAW-KBYIAWMASA-N 0 0 476.573 6.346 40 30 JKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408914630 570074664 /nfs/dbraw/zinc/07/46/64/570074664.db2.gz VHSDOKUXQIEQNL-HUOZHCEOSA-N 0 0 461.543 6.486 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OCC ZINC000408914623 570074692 /nfs/dbraw/zinc/07/46/92/570074692.db2.gz VGBUIXAZDUHSIE-BVGVAWRYSA-N 0 0 482.602 5.214 40 30 JKEBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408914778 570074742 /nfs/dbraw/zinc/07/47/42/570074742.db2.gz XPVPELDMBDKGBL-DUSMRRGCSA-N 0 0 490.600 6.817 40 30 JKEBRN CCN1C(=O)/C(=C\c2c(C)n(Cc3cccc(C)c3)c3ccccc23)S/C1=N\c1cc(C)ccc1C ZINC000408914751 570074745 /nfs/dbraw/zinc/07/47/45/570074745.db2.gz XKFDBDSUQYSHJM-RTPUTHBDSA-N 0 0 493.676 7.547 40 30 JKEBRN O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408914818 570074758 /nfs/dbraw/zinc/07/47/58/570074758.db2.gz XXDPXDHQDGPUOI-PWUFRFDASA-N 0 0 499.639 7.494 40 30 JKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408914774 570074794 /nfs/dbraw/zinc/07/47/94/570074794.db2.gz WDJHHQZCCVVMKB-DRSSFZSDSA-N 0 0 472.654 7.587 40 30 JKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S/C1=N\c1ccc(C)cc1 ZINC000408915114 570074878 /nfs/dbraw/zinc/07/48/78/570074878.db2.gz WZDOVFTXFHKGOF-KJIOQGGSSA-N 0 0 485.436 7.964 40 30 JKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408915134 570074885 /nfs/dbraw/zinc/07/48/85/570074885.db2.gz XBAFIPLYGWOUHM-DMYYLQPXSA-N 0 0 461.543 6.566 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OCC ZINC000408914975 570074886 /nfs/dbraw/zinc/07/48/86/570074886.db2.gz WJWRGFWQUQSNHH-RSCVCODBSA-N 0 0 496.629 5.738 40 30 JKEBRN O=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000408914954 570074889 /nfs/dbraw/zinc/07/48/89/570074889.db2.gz ZXTCAMREVILPRV-YSMPRRRNSA-N 0 0 476.330 6.536 40 30 JKEBRN 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570079900 /nfs/dbraw/zinc/07/99/00/570079900.db2.gz FCFUQJNSXDHVHK-NYAPKIOYSA-N 0 0 465.653 5.119 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408931099 570079913 /nfs/dbraw/zinc/07/99/13/570079913.db2.gz HDQFFOWUFQIMNU-JVWAILMASA-N 0 0 481.936 5.423 40 30 JKEBRN Cc1c(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408931042 570079930 /nfs/dbraw/zinc/07/99/30/570079930.db2.gz GJQQUQDFQWCBKI-YNFMAFFXSA-N 0 0 476.329 7.770 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)cc1 ZINC000408930931 570079932 /nfs/dbraw/zinc/07/99/32/570079932.db2.gz FABXOHNGLAQZEK-JVWAILMASA-N 0 0 469.354 5.754 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C1=N\c1ccccc1 ZINC000408931048 570079952 /nfs/dbraw/zinc/07/99/52/570079952.db2.gz GLSGNCQCWHAWBE-YBQHNUSLSA-N 0 0 493.028 6.560 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OCC)c2)C(=O)N1CC ZINC000408930831 570079981 /nfs/dbraw/zinc/07/99/81/570079981.db2.gz CPHZTQJCAPYDGE-PGDMKJPCSA-N 0 0 488.009 5.068 40 30 JKEBRN CC[C@@H](C)Oc1c(I)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931188 570080072 /nfs/dbraw/zinc/08/00/72/570080072.db2.gz IEITYQKYFIYWJE-DTVDJLOLSA-N 0 0 494.373 5.064 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccccc1 ZINC000408931341 570080035 /nfs/dbraw/zinc/08/00/35/570080035.db2.gz KHCHSVQCDDPBQX-MTDXEUNCSA-N 0 0 495.417 6.014 40 30 JKEBRN Clc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1Cl ZINC000408931310 570080068 /nfs/dbraw/zinc/08/00/68/570080068.db2.gz JUTNYFBPGZTCLM-MUFRIFMGSA-N 0 0 464.396 6.584 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000408931321 570080069 /nfs/dbraw/zinc/08/00/69/570080069.db2.gz JYWFYFGOUHKYLX-VUTHCHCSSA-N 0 0 467.525 5.914 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408931449 570080144 /nfs/dbraw/zinc/08/01/44/570080144.db2.gz LSTKCYLYKWETKY-JVWAILMASA-N 0 0 469.354 5.754 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1OCc1ccccc1F ZINC000408931424 570080157 /nfs/dbraw/zinc/08/01/57/570080157.db2.gz LJYZKVLOYLTQRZ-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(OC)cc4)N(CCOC)C3=O)c2C)cc1 ZINC000408931697 570080214 /nfs/dbraw/zinc/08/02/14/570080214.db2.gz PCOHQQIRWILTJI-BGTPXQLESA-N 0 0 489.641 5.916 40 30 JKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408931708 570080286 /nfs/dbraw/zinc/08/02/86/570080286.db2.gz PGAWXCFWKVOWIT-MTDXEUNCSA-N 0 0 454.530 5.493 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000408931671 570080300 /nfs/dbraw/zinc/08/03/00/570080300.db2.gz OSLLBWDWVAJPTM-OGLMXYFKSA-N 0 0 476.374 5.487 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)S/C1=N\c1ccccc1 ZINC000408932101 570080304 /nfs/dbraw/zinc/08/03/04/570080304.db2.gz UBPDPOAKVFSCTN-YBQHNUSLSA-N 0 0 476.573 6.045 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408931955 570080336 /nfs/dbraw/zinc/08/03/36/570080336.db2.gz SKALAVOPBGVXQK-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408932092 570080345 /nfs/dbraw/zinc/08/03/45/570080345.db2.gz TWOMEWBVDIQGLK-LQKURTRISA-N 0 0 471.384 6.168 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408932070 570080373 /nfs/dbraw/zinc/08/03/73/570080373.db2.gz SSFCWHJXAQGBKR-CVKSISIWSA-N 0 0 472.814 6.097 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932432 570080397 /nfs/dbraw/zinc/08/03/97/570080397.db2.gz CCPXLQJJRSKYSY-MZURAFEFSA-N 0 0 460.983 5.386 40 30 JKEBRN Brc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932462 570080409 /nfs/dbraw/zinc/08/04/09/570080409.db2.gz XGUSVRVCOOSZFQ-YZSQISJMSA-N 0 0 451.364 5.615 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408932563 570080531 /nfs/dbraw/zinc/08/05/31/570080531.db2.gz XKUVRBAAOCMQTO-AGJGHCONSA-N 0 0 495.648 6.639 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408932591 570080572 /nfs/dbraw/zinc/08/05/72/570080572.db2.gz XVGLZGKOHWTDDE-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN O=C1/C(=C/c2ccco2)S/C(=N\c2ccc([N+](=O)[O-])cc2)N1CCc1c[nH]c2ccccc12 ZINC000408932979 570080639 /nfs/dbraw/zinc/08/06/39/570080639.db2.gz GFORODOQNUDORR-PZFZXBCHSA-N 0 0 458.499 5.516 40 30 JKEBRN Cc1cccc(/C=C2\S/C(=N\c3ccc([N+](=O)[O-])cc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000408932834 570080660 /nfs/dbraw/zinc/08/06/60/570080660.db2.gz ZTYHNMJRMINXBO-YMURDISESA-N 0 0 482.565 6.231 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(I)cc3)cc2)cc1 ZINC000408932886 570080702 /nfs/dbraw/zinc/08/07/02/570080702.db2.gz FLNYQMVYEWYMIW-ZMFRSBBQSA-N 0 0 496.270 6.335 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408935905 570081416 /nfs/dbraw/zinc/08/14/16/570081416.db2.gz FCVZCRYFUMKSPH-LZYBPNLTSA-N 0 0 495.167 5.505 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccccc1 ZINC000408934058 570080841 /nfs/dbraw/zinc/08/08/41/570080841.db2.gz KZYVMVWCARDPEU-BIFPGVLTSA-N 0 0 452.963 6.241 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408934449 570080999 /nfs/dbraw/zinc/08/09/99/570080999.db2.gz ATRWXNFRGYYIQZ-BDQZRYFTSA-N 0 0 458.605 8.124 40 30 JKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cc(C)cc(C)c3)cc1)N2 ZINC000408934519 570081073 /nfs/dbraw/zinc/08/10/73/570081073.db2.gz BDSJOQNYABABDT-ROOOCHQBSA-N 0 0 498.670 8.768 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408934486 570081084 /nfs/dbraw/zinc/08/10/84/570081084.db2.gz BCKARMRHRBYMQJ-HMIXUQBKSA-N 0 0 499.054 8.189 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OCC ZINC000408934507 570081087 /nfs/dbraw/zinc/08/10/87/570081087.db2.gz BCRDUNPSRBXWOM-QDOCRILZSA-N 0 0 473.016 7.715 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OCC ZINC000408934510 570081089 /nfs/dbraw/zinc/08/10/89/570081089.db2.gz BCRDUNPSRBXWOM-VCFQAFBRSA-N 0 0 473.016 7.715 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408934993 570081133 /nfs/dbraw/zinc/08/11/33/570081133.db2.gz BXMMOWHUEWHBJA-NMJJDOENSA-N 0 0 458.989 7.243 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Br)c1O ZINC000408934976 570081151 /nfs/dbraw/zinc/08/11/51/570081151.db2.gz BWATZZAUYMBXGN-GYWSPCNESA-N 0 0 489.413 7.131 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408934678 570081161 /nfs/dbraw/zinc/08/11/61/570081161.db2.gz BOENWFQMJPJILV-WGARJPEWSA-N 0 0 460.421 5.820 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408935691 570081256 /nfs/dbraw/zinc/08/12/56/570081256.db2.gz DJPHFCQBUIBZGD-LCFXPADGSA-N 0 0 474.579 7.982 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408935708 570081261 /nfs/dbraw/zinc/08/12/61/570081261.db2.gz DMQWEVZUPOSPGS-ILAONYIHSA-N 0 0 458.605 8.206 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408935543 570081265 /nfs/dbraw/zinc/08/12/65/570081265.db2.gz HSVJRRHXPBFDIK-IILQSECHSA-N 0 0 464.609 7.536 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408935899 570081411 /nfs/dbraw/zinc/08/14/11/570081411.db2.gz FCNNCQCZEJILBG-OAABWDPWSA-N 0 0 473.016 7.633 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408935968 570081424 /nfs/dbraw/zinc/08/14/24/570081424.db2.gz FIKWZDVYJMLDQD-WGARJPEWSA-N 0 0 476.876 6.335 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cc3)cc2Cl)c1 ZINC000408935821 570081426 /nfs/dbraw/zinc/08/14/26/570081426.db2.gz NYGIQALRNGLBPA-NVJOKUIPSA-N 0 0 453.291 7.346 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408935864 570081441 /nfs/dbraw/zinc/08/14/41/570081441.db2.gz DWSVJQDZSSYANG-PTQFAUSOSA-N 0 0 487.043 8.023 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408936341 570081497 /nfs/dbraw/zinc/08/14/97/570081497.db2.gz FPWBJHHDMHPXQL-VGRWJBQPSA-N 0 0 459.387 7.035 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408936560 570081501 /nfs/dbraw/zinc/08/15/01/570081501.db2.gz GOSYNJXIMSEYBB-UBAGDLADSA-N 0 0 483.409 7.038 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408936662 570081616 /nfs/dbraw/zinc/08/16/16/570081616.db2.gz HCXYLZORCJRGQL-YKPORMHFSA-N 0 0 458.989 7.324 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1cc(C)cc(C)c1 ZINC000408936992 570081632 /nfs/dbraw/zinc/08/16/32/570081632.db2.gz LVWNCAFVTDCSES-QFEZKATASA-N 0 0 464.478 5.544 40 30 JKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408936627 570081652 /nfs/dbraw/zinc/08/16/52/570081652.db2.gz GZNJTOYYSPACBV-JZUREXBKSA-N 0 0 457.017 8.014 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408937012 570081694 /nfs/dbraw/zinc/08/16/94/570081694.db2.gz LZHCPTQJFGUIBX-SZYPEGFDSA-N 0 0 483.011 7.328 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408937792 570081906 /nfs/dbraw/zinc/08/19/06/570081906.db2.gz JUZHYRMHFIVFOP-QDOCRILZSA-N 0 0 473.016 7.715 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)nc1 ZINC000408937612 570081915 /nfs/dbraw/zinc/08/19/15/570081915.db2.gz GZLVIBHYINNVDI-OPVMPGTRSA-N 0 0 476.705 6.707 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408937787 570081929 /nfs/dbraw/zinc/08/19/29/570081929.db2.gz JUZHYRMHFIVFOP-HZUBOICTSA-N 0 0 473.016 7.715 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408938049 570081937 /nfs/dbraw/zinc/08/19/37/570081937.db2.gz KGDZQXZUCHYHHQ-VROXFSQNSA-N 0 0 495.706 6.488 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Br)c1O ZINC000408937676 570081938 /nfs/dbraw/zinc/08/19/38/570081938.db2.gz JJCUGLOBQSBTSO-QQQVZRFUSA-N 0 0 475.386 6.740 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408938293 570082014 /nfs/dbraw/zinc/08/20/14/570082014.db2.gz PZDUAKMTRKMKFS-GCEYBUITSA-N 0 0 450.582 7.227 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3cccc(F)c3)cc1)N2 ZINC000408938628 570082047 /nfs/dbraw/zinc/08/20/47/570082047.db2.gz LHHZDMLPQGRWMD-VFFOLYJSSA-N 0 0 488.606 8.290 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O ZINC000408938117 570082053 /nfs/dbraw/zinc/08/20/53/570082053.db2.gz KLAYAOBTDJNTBF-NMJJDOENSA-N 0 0 458.989 7.330 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408938119 570082064 /nfs/dbraw/zinc/08/20/64/570082064.db2.gz KLAYAOBTDJNTBF-NQNNIARTSA-N 0 0 458.989 7.330 40 30 JKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccccc1OCc1ccccc1 ZINC000408938100 570082072 /nfs/dbraw/zinc/08/20/72/570082072.db2.gz KJOFDDWMYBEJDP-PMLDZPOISA-N 0 0 456.589 7.843 40 30 JKEBRN Fc1ccccc1Cn1c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc2ccccc21 ZINC000408939374 570082151 /nfs/dbraw/zinc/08/21/51/570082151.db2.gz RYUHWKFGQMITOX-KTKGMHBTSA-N 0 0 497.617 8.406 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408939134 570082198 /nfs/dbraw/zinc/08/21/98/570082198.db2.gz LTEJRLQDPGWEBR-KFWXDBFFSA-N 0 0 485.027 7.881 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc1)N2 ZINC000408939216 570082212 /nfs/dbraw/zinc/08/22/12/570082212.db2.gz LWBBRFWKALUSGD-WOILNNEZSA-N 0 0 470.616 8.151 40 30 JKEBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)S/C1=N\c1ccc(OC)cc1 ZINC000408939584 570082290 /nfs/dbraw/zinc/08/22/90/570082290.db2.gz SYYHZOOSRCIUDP-FUQOYWQNSA-N 0 0 475.614 5.662 40 30 JKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408939519 570082329 /nfs/dbraw/zinc/08/23/29/570082329.db2.gz MVHHISRAMVGKBE-UUQTWXEZSA-N 0 0 487.441 7.815 40 30 JKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408939511 570082343 /nfs/dbraw/zinc/08/23/43/570082343.db2.gz MVHHISRAMVGKBE-DDEBHVINSA-N 0 0 487.441 7.815 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408940215 570082399 /nfs/dbraw/zinc/08/23/99/570082399.db2.gz NQYQLOTWNNPBMS-ILAONYIHSA-N 0 0 454.573 7.429 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408940189 570082413 /nfs/dbraw/zinc/08/24/13/570082413.db2.gz NQBUPFKNYBREJY-VXNXWQJSSA-N 0 0 487.441 7.733 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408940464 570082420 /nfs/dbraw/zinc/08/24/20/570082420.db2.gz OAGFTUMPBWRVHH-XOQBKMFYSA-N 0 0 452.598 7.370 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(-c3ccccc3)s1)C2=O ZINC000252503888 570082441 /nfs/dbraw/zinc/08/24/41/570082441.db2.gz VGZYSFLMWKRVEA-OBDLVZSFSA-N 0 0 458.667 7.301 40 30 JKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 ZINC000408940051 570082467 /nfs/dbraw/zinc/08/24/67/570082467.db2.gz NLTGNXYOUWBNMO-LCFXPADGSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)c1 ZINC000408940540 570082613 /nfs/dbraw/zinc/08/26/13/570082613.db2.gz ODWUNOREDDYOJL-DGTAYUIYSA-N 0 0 491.034 8.496 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cccc(F)c4)cc3)cc1)N2 ZINC000408941247 570082620 /nfs/dbraw/zinc/08/26/20/570082620.db2.gz OZZGYHRZQIPBTC-RSJPPULDSA-N 0 0 488.606 8.290 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408941823 570082783 /nfs/dbraw/zinc/08/27/83/570082783.db2.gz PVQMTSICYSSABX-LZYBPNLTSA-N 0 0 450.716 5.396 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408941140 570082675 /nfs/dbraw/zinc/08/26/75/570082675.db2.gz ORLWUDNEFXLKER-BARGHJKMSA-N 0 0 455.001 7.790 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC ZINC000408941391 570082712 /nfs/dbraw/zinc/08/27/12/570082712.db2.gz WLMYZBVHSFRRGI-UUOHNITCSA-N 0 0 454.570 6.598 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408941809 570082788 /nfs/dbraw/zinc/08/27/88/570082788.db2.gz PSCAPVDNZGYSTQ-SZYPEGFDSA-N 0 0 487.043 8.105 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408942401 570082880 /nfs/dbraw/zinc/08/28/80/570082880.db2.gz QPGUUYZULXKAQA-YTTUFDEDSA-N 0 0 497.436 7.347 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408942621 570082955 /nfs/dbraw/zinc/08/29/55/570082955.db2.gz ZTQNEJYYLNYVOR-BBHADXTRSA-N 0 0 452.598 7.451 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408942983 570083051 /nfs/dbraw/zinc/08/30/51/570083051.db2.gz RLAMIGSJQKKQPK-ANNWOJBOSA-N 0 0 452.985 7.238 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408943075 570083060 /nfs/dbraw/zinc/08/30/60/570083060.db2.gz RNVIWGCJJDXVHS-UQIUYHSWSA-N 0 0 473.414 7.425 40 30 JKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 ZINC000408943069 570083077 /nfs/dbraw/zinc/08/30/77/570083077.db2.gz RNIQBENJKPWQBT-QYDGWAMYSA-N 0 0 474.579 7.982 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943851 570083151 /nfs/dbraw/zinc/08/31/51/570083151.db2.gz SKHMCEQETLFVPL-SZHQRFBXSA-N 0 0 484.643 8.460 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408943384 570083179 /nfs/dbraw/zinc/08/31/79/570083179.db2.gz SCUMPEODSFCKGL-UUQTWXEZSA-N 0 0 485.425 7.591 40 30 JKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000408943886 570083182 /nfs/dbraw/zinc/08/31/82/570083182.db2.gz SQNARUUINPEEMI-VXLYETTFSA-N 0 0 452.304 5.506 40 30 JKEBRN O=C(Cn1cc(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc21)Nc1ccc(F)cc1 ZINC000408943792 570083199 /nfs/dbraw/zinc/08/31/99/570083199.db2.gz YXMCHLYTBZPREL-DBFSUHOCSA-N 0 0 454.427 5.884 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943848 570083212 /nfs/dbraw/zinc/08/32/12/570083212.db2.gz SKHMCEQETLFVPL-IYWJACCASA-N 0 0 484.643 8.460 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408944803 570083274 /nfs/dbraw/zinc/08/32/74/570083274.db2.gz VIHNHVRNPDITRL-NSBSDQOHSA-N 0 0 485.027 7.799 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408945104 570083285 /nfs/dbraw/zinc/08/32/85/570083285.db2.gz VWNQKHISZIQCTR-QDOCRILZSA-N 0 0 468.984 6.938 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408944802 570083317 /nfs/dbraw/zinc/08/33/17/570083317.db2.gz VIHNHVRNPDITRL-DYOIDNJGSA-N 0 0 485.027 7.799 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3ccc(F)cc3)cc1)N2 ZINC000408946135 570083494 /nfs/dbraw/zinc/08/34/94/570083494.db2.gz YCPUPROVVADDPG-FEHZXGKMSA-N 0 0 488.606 8.290 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408945800 570083516 /nfs/dbraw/zinc/08/35/16/570083516.db2.gz XJKQPMQNZFBUEU-PTQFAUSOSA-N 0 0 483.011 7.246 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3F)cc1)N2 ZINC000408945614 570083544 /nfs/dbraw/zinc/08/35/44/570083544.db2.gz XCWOIQKNSDCYHE-DUXUGGPUSA-N 0 0 488.606 8.290 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408947158 570083595 /nfs/dbraw/zinc/08/35/95/570083595.db2.gz ZRBNGBOIDSZZSW-KFNOWRKPSA-N 0 0 473.414 7.425 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@@H]54)cc3)cc2)c1 ZINC000408946487 570083608 /nfs/dbraw/zinc/08/36/08/570083608.db2.gz YUAOXHHKXILIEG-YSCUOVIOSA-N 0 0 474.579 7.982 40 30 JKEBRN Cc1cc(C)cc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 ZINC000408947151 570083619 /nfs/dbraw/zinc/08/36/19/570083619.db2.gz ZQRGQEYRBPKURH-DCEPVZGTSA-N 0 0 484.643 8.460 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408946727 570083644 /nfs/dbraw/zinc/08/36/44/570083644.db2.gz ZEFWRUGFVOTQAB-WKLXQTPASA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 ZINC000408949775 570083845 /nfs/dbraw/zinc/08/38/45/570083845.db2.gz CCSQNHVABPTANT-FYJGNVAPSA-N 0 0 465.487 5.154 40 30 JKEBRN O=C(Oc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1)c1ccccc1F ZINC000408949217 570083855 /nfs/dbraw/zinc/08/38/55/570083855.db2.gz FBRUGCXTTHLLCO-AJBULDERSA-N 0 0 461.496 6.648 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OCC)c3)S2)cc1 ZINC000408949748 570083888 /nfs/dbraw/zinc/08/38/88/570083888.db2.gz BYBMUGANJVFRTR-YZSQISJMSA-N 0 0 488.609 6.263 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)S2)cc1 ZINC000408951168 570084076 /nfs/dbraw/zinc/08/40/76/570084076.db2.gz HYJHUDXKXDBCPL-HZHRSRAPSA-N 0 0 491.544 5.134 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OCC)cc3Br)S2)cc1 ZINC000408951297 570084206 /nfs/dbraw/zinc/08/42/06/570084206.db2.gz IOVBYRCBMFHRPV-UDWIEESQSA-N 0 0 491.407 5.537 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1 ZINC000408951373 570084207 /nfs/dbraw/zinc/08/42/07/570084207.db2.gz IWNQUDZVGYDUBE-ZHZULCJRSA-N 0 0 467.392 5.197 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)S2)cc1 ZINC000408951304 570084268 /nfs/dbraw/zinc/08/42/68/570084268.db2.gz IQAQBVQTXADTSH-YZSQISJMSA-N 0 0 467.594 6.538 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)S2)cc1 ZINC000408953027 570084485 /nfs/dbraw/zinc/08/44/85/570084485.db2.gz NYQNCZXXXCEXNG-HZHRSRAPSA-N 0 0 491.544 5.134 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408953367 570084489 /nfs/dbraw/zinc/08/44/89/570084489.db2.gz OXFSGYIUTFBHRA-NKDOTSDESA-N 0 0 451.551 6.295 40 30 JKEBRN Cc1cc(I)ccc1/N=C\c1cc(Br)c(Br)o1 ZINC000408953358 570084500 /nfs/dbraw/zinc/08/45/00/570084500.db2.gz OVSDBWDFFKJCTE-SOFYXZRVSA-N 0 0 468.914 5.468 40 30 JKEBRN Brc1cc(/C=N\c2ccc(I)cc2)oc1Br ZINC000408954217 570084586 /nfs/dbraw/zinc/08/45/86/570084586.db2.gz RXPWBHSOWDXTLC-UUASQNMZSA-N 0 0 454.887 5.160 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408953476 570084597 /nfs/dbraw/zinc/08/45/97/570084597.db2.gz PVKPADCGYBIKPV-UDWIEESQSA-N 0 0 469.906 5.799 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408953905 570084616 /nfs/dbraw/zinc/08/46/16/570084616.db2.gz QKRUDGGWMPZISN-YDZHTSKRSA-N 0 0 473.963 5.172 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)S2)cc1 ZINC000408954732 570084702 /nfs/dbraw/zinc/08/47/02/570084702.db2.gz UXAAUUIIVWOIQO-LDADJPATSA-N 0 0 477.380 5.147 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1)c1ccccc1F ZINC000408955342 570084821 /nfs/dbraw/zinc/08/48/21/570084821.db2.gz ONZQWWNQOSHVOV-KKMKTNMSSA-N 0 0 486.355 6.921 40 30 JKEBRN Cc1cc(/N=C/c2cc(Br)c(I)o2)ccc1Br ZINC000408955966 570084836 /nfs/dbraw/zinc/08/48/36/570084836.db2.gz ZFJRBHYLRGDWPT-OMCISZLKSA-N 0 0 468.914 5.468 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408955519 570084860 /nfs/dbraw/zinc/08/48/60/570084860.db2.gz XMRPCKIYQARYEV-MOSHPQCFSA-N 0 0 457.386 5.742 40 30 JKEBRN Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1I ZINC000408955651 570084863 /nfs/dbraw/zinc/08/48/63/570084863.db2.gz YAJYBYSKHHSXHJ-RGVLZGJSSA-N 0 0 452.089 6.064 40 30 JKEBRN Brc1cc(/C=N\c2cccc(I)c2)oc1Br ZINC000408956049 570084996 /nfs/dbraw/zinc/08/49/96/570084996.db2.gz ZQRJYKCBOHKKHW-UUASQNMZSA-N 0 0 454.887 5.160 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000408959592 570085227 /nfs/dbraw/zinc/08/52/27/570085227.db2.gz BPLKDYHUNXRAST-KFRSRXFSSA-N 0 0 472.614 5.326 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408959536 570085300 /nfs/dbraw/zinc/08/53/00/570085300.db2.gz APZIFWFFPKTCCO-DMEHKQLVSA-N 0 0 495.446 5.930 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408959922 570085348 /nfs/dbraw/zinc/08/53/48/570085348.db2.gz AMWFTLJXUWGZKP-OEAKJJBVSA-N 0 0 491.525 5.083 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)S2)cc1 ZINC000408960010 570085560 /nfs/dbraw/zinc/08/55/60/570085560.db2.gz BSNXFGAYEPBSOQ-NDENLUEZSA-N 0 0 453.361 6.218 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c1C ZINC000408960091 570085565 /nfs/dbraw/zinc/08/55/65/570085565.db2.gz JIVUPQGOHAPXHE-VYKPKEDGSA-N 0 0 457.643 6.816 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)S2)cc1 ZINC000408960318 570085588 /nfs/dbraw/zinc/08/55/88/570085588.db2.gz DUAXJVHAUJLKRR-LPYMAVHISA-N 0 0 498.963 5.967 40 30 JKEBRN COc1cc(Br)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408960521 570085617 /nfs/dbraw/zinc/08/56/17/570085617.db2.gz GHCJOKYVNQKCCS-VIZOYTHASA-N 0 0 488.190 5.665 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)c1C ZINC000408960793 570085716 /nfs/dbraw/zinc/08/57/16/570085716.db2.gz OCAKXFKTCCKPPF-CLHPWSKPSA-N 0 0 459.615 6.207 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 ZINC000408960727 570085768 /nfs/dbraw/zinc/08/57/68/570085768.db2.gz IDRYVZKTOWBWEZ-HYARGMPZSA-N 0 0 461.499 5.074 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408960724 570085787 /nfs/dbraw/zinc/08/57/87/570085787.db2.gz ICSNDUXNIMIOCZ-YDZHTSKRSA-N 0 0 472.501 5.629 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(N3CCCCC3)cc2)N(C)C1=O ZINC000408961053 570085857 /nfs/dbraw/zinc/08/58/57/570085857.db2.gz QLPVCQGPHCDNEM-PAPBZEPUSA-N 0 0 460.647 5.819 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408961324 570085988 /nfs/dbraw/zinc/08/59/88/570085988.db2.gz RNOGRTPSFRBYFX-OIBHPTRJSA-N 0 0 456.409 5.673 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 ZINC000408961191 570085997 /nfs/dbraw/zinc/08/59/97/570085997.db2.gz LEMWXZSEYCUPEC-HYARGMPZSA-N 0 0 461.518 5.043 40 30 JKEBRN CCOc1cc(OCC)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408961279 570086010 /nfs/dbraw/zinc/08/60/10/570086010.db2.gz MDBUNTZQYLHNOA-YBFXNURJSA-N 0 0 477.380 5.147 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C)cn1 ZINC000408961254 570086043 /nfs/dbraw/zinc/08/60/43/570086043.db2.gz LUNBMKOIGJXCMV-VCHYOVAHSA-N 0 0 457.386 5.996 40 30 JKEBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC ZINC000408961492 570086072 /nfs/dbraw/zinc/08/60/72/570086072.db2.gz CMPMDDBBTQHXHK-MBNTZHJCSA-N 0 0 479.371 5.666 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000408961803 570086096 /nfs/dbraw/zinc/08/60/96/570086096.db2.gz FENHZGFJFTXZNC-BUVRLJJBSA-N 0 0 487.581 5.221 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OC(C)C ZINC000408962093 570086232 /nfs/dbraw/zinc/08/62/32/570086232.db2.gz PTRYXHJVFFYVEK-CXUHLZMHSA-N 0 0 471.793 6.334 40 30 JKEBRN COc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5cc(C)ccc5[nH]4)o3)S2)cc1 ZINC000408961826 570086275 /nfs/dbraw/zinc/08/62/75/570086275.db2.gz OHFCPLFCBPKHML-XDHOZWIPSA-N 0 0 462.556 5.516 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000408961981 570086325 /nfs/dbraw/zinc/08/63/25/570086325.db2.gz WLBMSTOOCDLHTA-SBEYKLCGSA-N 0 0 473.598 6.083 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408962125 570086409 /nfs/dbraw/zinc/08/64/09/570086409.db2.gz QDMQYCJNGQBNPZ-MFKUBSTISA-N 0 0 472.516 6.589 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408962134 570086429 /nfs/dbraw/zinc/08/64/29/570086429.db2.gz GWSUBFYXLFIHRI-MTDXEUNCSA-N 0 0 494.616 7.018 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000408962747 570086569 /nfs/dbraw/zinc/08/65/69/570086569.db2.gz UJDBFUOLUTZZAT-HYARGMPZSA-N 0 0 450.947 5.819 40 30 JKEBRN Cc1ccc(Cn2cc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)c3ccccc32)cc1 ZINC000408963005 570086587 /nfs/dbraw/zinc/08/65/87/570086587.db2.gz XFQGTHSNEDQVDG-YDZHTSKRSA-N 0 0 492.431 7.196 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000408963242 570086598 /nfs/dbraw/zinc/08/65/98/570086598.db2.gz BBOQEPKBJGOBAM-OEAKJJBVSA-N 0 0 496.991 6.657 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408963182 570086631 /nfs/dbraw/zinc/08/66/31/570086631.db2.gz AORKQBZZLQMSEU-RGVLZGJSSA-N 0 0 490.843 7.254 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408963577 570086754 /nfs/dbraw/zinc/08/67/54/570086754.db2.gz CIJSHSQZKZMFQS-BUVRLJJBSA-N 0 0 489.553 5.773 40 30 JKEBRN O=C(COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1)Nc1ccccc1 ZINC000408963485 570086760 /nfs/dbraw/zinc/08/67/60/570086760.db2.gz ZRYSDZNTNWJEBX-DEDYPNTBSA-N 0 0 498.391 5.903 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408964076 570086842 /nfs/dbraw/zinc/08/68/42/570086842.db2.gz FQKDSHFDKYNOGP-SRZZPIQSSA-N 0 0 456.398 6.601 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)N2C)cc1 ZINC000408963902 570086904 /nfs/dbraw/zinc/08/69/04/570086904.db2.gz BDPUBFDVODAAHR-YMTQWUKOSA-N 0 0 473.642 6.634 40 30 JKEBRN N#Cc1ccccc1COc1ccccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408963885 570086906 /nfs/dbraw/zinc/08/69/06/570086906.db2.gz DNUHENBRIQJPOF-CIAFOILYSA-N 0 0 480.376 6.336 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)S2)cc1 ZINC000408964023 570086914 /nfs/dbraw/zinc/08/69/14/570086914.db2.gz FFOKFJZIRQJOMZ-ZVHZXABRSA-N 0 0 457.986 6.543 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408964455 570086975 /nfs/dbraw/zinc/08/69/75/570086975.db2.gz CLBHTPGMGNFEDQ-OYKKKHCWSA-N 0 0 473.001 6.496 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964177 570087008 /nfs/dbraw/zinc/08/70/08/570087008.db2.gz BLXLYKAWSVLMLU-AEVKUXSFSA-N 0 0 478.061 7.279 40 30 JKEBRN O=C(COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000408964921 570087104 /nfs/dbraw/zinc/08/71/04/570087104.db2.gz TYRYPVWVFYNLIU-CIAFOILYSA-N 0 0 499.926 5.527 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000408965254 570087206 /nfs/dbraw/zinc/08/72/06/570087206.db2.gz JQJDRCXZKGPTGL-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1I ZINC000408965310 570087207 /nfs/dbraw/zinc/08/72/07/570087207.db2.gz KBHDDGKJCHUIKD-LDADJPATSA-N 0 0 476.339 5.056 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)c(C)c1 ZINC000408965232 570087215 /nfs/dbraw/zinc/08/72/15/570087215.db2.gz JLPADCAZCXICDN-OEAKJJBVSA-N 0 0 475.570 5.089 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)c1C ZINC000408965129 570087222 /nfs/dbraw/zinc/08/72/22/570087222.db2.gz GJJUTCQBBZEMGY-AYSAYDOFSA-N 0 0 485.653 6.440 40 30 JKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C ZINC000408965639 570087417 /nfs/dbraw/zinc/08/74/17/570087417.db2.gz WSOFDRAHYCAWKM-SRZZPIQSSA-N 0 0 455.942 5.787 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408965700 570087435 /nfs/dbraw/zinc/08/74/35/570087435.db2.gz LOOSJUNFCRFZGN-OEAKJJBVSA-N 0 0 496.991 6.657 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(C)c3)S2)cc1 ZINC000408965719 570087437 /nfs/dbraw/zinc/08/74/37/570087437.db2.gz LQMLLBSFICWCQR-OEAKJJBVSA-N 0 0 493.426 6.537 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)c1 ZINC000408966319 570087474 /nfs/dbraw/zinc/08/74/74/570087474.db2.gz ZPPFCYNCEARXPI-HYARGMPZSA-N 0 0 463.534 5.302 40 30 JKEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966141 570087478 /nfs/dbraw/zinc/08/74/78/570087478.db2.gz KCOUCZUYPOQKOX-MYYYXRDXSA-N 0 0 456.371 6.747 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408966030 570087484 /nfs/dbraw/zinc/08/74/84/570087484.db2.gz MMLSUTHTKFWOKC-SRZZPIQSSA-N 0 0 484.394 6.196 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966222 570087494 /nfs/dbraw/zinc/08/74/94/570087494.db2.gz KNYVNTYATZHTAV-MYYYXRDXSA-N 0 0 456.371 6.747 40 30 JKEBRN CCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccccc1 ZINC000408966374 570087517 /nfs/dbraw/zinc/08/75/17/570087517.db2.gz LGSDWICOFPQWOF-CQFHQSLKSA-N 0 0 485.697 7.796 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408966193 570087545 /nfs/dbraw/zinc/08/75/45/570087545.db2.gz NMYVBZWFWZCWJE-KEBDBYFISA-N 0 0 460.361 6.432 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)c1C ZINC000408966703 570087607 /nfs/dbraw/zinc/08/76/07/570087607.db2.gz NBCLXEJRAWKYID-BLWVTCSASA-N 0 0 498.696 6.881 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966521 570087647 /nfs/dbraw/zinc/08/76/47/570087647.db2.gz NBILYIOGSQWVEM-MYYYXRDXSA-N 0 0 452.583 6.151 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)c1 ZINC000408966512 570087657 /nfs/dbraw/zinc/08/76/57/570087657.db2.gz LZTCBAADAFJATA-HMAPJEAMSA-N 0 0 479.989 5.816 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966862 570087781 /nfs/dbraw/zinc/08/77/81/570087781.db2.gz OONAPYIXYADEER-UCQKPKSFSA-N 0 0 458.974 6.187 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)S2)cc1 ZINC000408966874 570087797 /nfs/dbraw/zinc/08/77/97/570087797.db2.gz QZSSUJNIUBQPGT-MFKUBSTISA-N 0 0 453.567 5.898 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(F)c4)N(C)C3=O)c2C)c1 ZINC000408967137 570087855 /nfs/dbraw/zinc/08/78/55/570087855.db2.gz PZVOVZTYSRPRTB-LEIWJKCUSA-N 0 0 477.561 5.644 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)S2)cc1 ZINC000408967297 570087876 /nfs/dbraw/zinc/08/78/76/570087876.db2.gz UQFOSDPKLZZMRE-CIAFOILYSA-N 0 0 487.383 6.912 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408967276 570087883 /nfs/dbraw/zinc/08/78/83/570087883.db2.gz UGHRNFJXHFSGCZ-OEAKJJBVSA-N 0 0 475.526 5.382 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408967313 570087886 /nfs/dbraw/zinc/08/78/86/570087886.db2.gz UWOGPAVNJKTGOQ-KZKLBEMASA-N 0 0 461.381 5.527 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408967376 570088012 /nfs/dbraw/zinc/08/80/12/570088012.db2.gz VHPOUJBNECXJOI-CPNJWEJPSA-N 0 0 473.392 5.613 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(I)cc3)S2)cc1 ZINC000408967088 570087922 /nfs/dbraw/zinc/08/79/22/570087922.db2.gz SDJXEOHAASPTAL-CPNJWEJPSA-N 0 0 485.350 5.282 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccc(Cl)cc1 ZINC000408967677 570087990 /nfs/dbraw/zinc/08/79/90/570087990.db2.gz ROQHNBXJDOGSPE-WPRPLIHDSA-N 0 0 492.088 7.669 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1 ZINC000408967380 570088000 /nfs/dbraw/zinc/08/80/00/570088000.db2.gz VIIZAZRWISQHCN-ZVHZXABRSA-N 0 0 484.537 5.498 40 30 JKEBRN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1OCC(=O)Nc1ccc(F)cc1 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CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000408980503 570090745 /nfs/dbraw/zinc/09/07/45/570090745.db2.gz RMOOWOVWTIWCNO-UHFFFAOYSA-N 0 0 455.945 6.501 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br ZINC000408980788 570090818 /nfs/dbraw/zinc/09/08/18/570090818.db2.gz XLSUPZVGOHNEPX-AFUMVMLFSA-N 0 0 455.421 7.380 40 30 JKEBRN N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(Br)cc3)c3ccccc13)CCCC2 ZINC000408980844 570090825 /nfs/dbraw/zinc/09/08/25/570090825.db2.gz SZXKRLBVJBDVNY-UHFFFAOYSA-N 0 0 457.375 5.847 40 30 JKEBRN COc1ccc(OC)c(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)c1 ZINC000408981731 570090939 /nfs/dbraw/zinc/09/09/39/570090939.db2.gz WNADIRMAWCIVGB-UHFFFAOYSA-N 0 0 451.526 5.774 40 30 JKEBRN N#Cc1ccccc1COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br ZINC000408981207 570090966 /nfs/dbraw/zinc/09/09/66/570090966.db2.gz VGQWHDGXMDQPPE-UHFFFAOYSA-N 0 0 459.347 5.294 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408981717 570090985 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570097447 /nfs/dbraw/zinc/09/74/47/570097447.db2.gz PJIIKQPOZJIPGY-UYLZVCPASA-N 0 0 473.779 6.596 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000409005956 570097898 /nfs/dbraw/zinc/09/78/98/570097898.db2.gz HMRQBNPBOHGNIW-HKWRFOASSA-N 0 0 486.387 5.139 40 30 JKEBRN C=CCn1c(C)c(/C=C2\SC(NC(=O)c3ccc(C)cc3)=C(C(=O)OCC)C2=O)c2ccccc21 ZINC000409006709 570098273 /nfs/dbraw/zinc/09/82/73/570098273.db2.gz KTSCDKVJNRMYGS-KQWNVCNZSA-N 0 0 486.593 5.306 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409007329 570098412 /nfs/dbraw/zinc/09/84/12/570098412.db2.gz PJHLKLLPLHBIDL-RGEXLXHISA-N 0 0 474.376 5.302 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409007998 570098448 /nfs/dbraw/zinc/09/84/48/570098448.db2.gz UDIGZSOAQSXEPL-ULJHMMPZSA-N 0 0 499.588 5.436 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409007726 570098465 /nfs/dbraw/zinc/09/84/65/570098465.db2.gz 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Cc1cccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCCCCC3)c1C ZINC000409010149 570099333 /nfs/dbraw/zinc/09/93/33/570099333.db2.gz AGIBYFKNDCQWKQ-RDRPBHBLSA-N 0 0 459.659 7.093 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccc(F)cc1 ZINC000409010350 570099373 /nfs/dbraw/zinc/09/93/73/570099373.db2.gz JZKGHFKZANGRHH-FTNSYOLJSA-N 0 0 470.367 6.003 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(CC)C2=O)cc1Cl ZINC000409010822 570099492 /nfs/dbraw/zinc/09/94/92/570099492.db2.gz LSBDJTUOEIFALD-GVMNIQONSA-N 0 0 458.027 6.207 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc(OC)c1OCc1cccc(C)c1 ZINC000409010835 570099505 /nfs/dbraw/zinc/09/95/05/570099505.db2.gz LUGUDQFBZKMJGS-MMTNMYCKSA-N 0 0 495.597 5.299 40 30 JKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cccc([N+](=O)[O-])c3)sc3c2CCCCCC3)c1 ZINC000409011050 570099596 /nfs/dbraw/zinc/09/95/96/570099596.db2.gz DKKVWRTYKWQONY-JVWAILMASA-N 0 0 461.587 6.935 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013323 570100270 /nfs/dbraw/zinc/10/02/70/570100270.db2.gz MYBQDDQJEUYARX-JPFRIMFNSA-N 0 0 465.756 5.455 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1[N+](=O)[O-] ZINC000409012028 570099919 /nfs/dbraw/zinc/09/99/19/570099919.db2.gz HDXUCDISMBISLS-LQKURTRISA-N 0 0 491.613 6.944 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)c2ccccc2n1C ZINC000409012526 570100025 /nfs/dbraw/zinc/10/00/25/570100025.db2.gz IPCZMLKAOFWYSI-UXHLAJHPSA-N 0 0 469.654 7.519 40 30 JKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)cc1C ZINC000409012864 570100028 /nfs/dbraw/zinc/10/00/28/570100028.db2.gz JAMRCIDPFNWUGN-LQKURTRISA-N 0 0 495.486 7.789 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409012582 570100048 /nfs/dbraw/zinc/10/00/48/570100048.db2.gz KNMAQFIJGQPEIC-RPNTZMPASA-N 0 0 451.588 6.228 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)sc3c2CCCCCC3)c1 ZINC000409012948 570100158 /nfs/dbraw/zinc/10/01/58/570100158.db2.gz JIYKYMJXGSVOGH-JVWAILMASA-N 0 0 461.587 6.935 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)cc1Cl ZINC000409012904 570100175 /nfs/dbraw/zinc/10/01/75/570100175.db2.gz LNLBBCDWFKDJLO-PJXAXWQYSA-N 0 0 450.991 6.904 40 30 JKEBRN CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2 ZINC000409013427 570100273 /nfs/dbraw/zinc/10/02/73/570100273.db2.gz KIQIESOVLRSWQO-NDZAJKAJSA-N 0 0 474.670 7.816 40 30 JKEBRN CCOc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C ZINC000409013827 570100355 /nfs/dbraw/zinc/10/03/55/570100355.db2.gz WCYSGLYVSARMOH-OGLMXYFKSA-N 0 0 454.530 5.405 40 30 JKEBRN COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1 ZINC000409013643 570100356 /nfs/dbraw/zinc/10/03/56/570100356.db2.gz LDJGLIDNOKITGH-STBIYBPSSA-N 0 0 474.626 6.813 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409013644 570100405 /nfs/dbraw/zinc/10/04/05/570100405.db2.gz CHMCQFTYJFDDFE-CAUNFOBBSA-N 0 0 455.551 5.977 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccc(N(C)C)cc1 ZINC000409013951 570100477 /nfs/dbraw/zinc/10/04/77/570100477.db2.gz OBGQAZYSXCFVON-DMEHKQLVSA-N 0 0 495.446 5.930 40 30 JKEBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000409014150 570100502 /nfs/dbraw/zinc/10/05/02/570100502.db2.gz FPRRMTJRDSBMBR-OGLMXYFKSA-N 0 0 488.547 5.642 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccccc1 ZINC000409014293 570100653 /nfs/dbraw/zinc/10/06/53/570100653.db2.gz WYSDXNOZDROXPT-QWKKMKHHSA-N 0 0 466.404 6.254 40 30 JKEBRN COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1 ZINC000409014608 570100714 /nfs/dbraw/zinc/10/07/14/570100714.db2.gz NIHKNYCSBHJGSP-STBIYBPSSA-N 0 0 474.626 6.813 40 30 JKEBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C1=O ZINC000409014819 570100753 /nfs/dbraw/zinc/10/07/53/570100753.db2.gz LDTOYMXEEYZTGI-MTJSOVHGSA-N 0 0 457.511 5.110 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498751 570100783 /nfs/dbraw/zinc/10/07/83/570100783.db2.gz PNDHMMQVMNVWPV-VIAZZHLHSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3)n2)c1 ZINC000409016182 570101172 /nfs/dbraw/zinc/10/11/72/570101172.db2.gz SRMFDBPKVJIXEU-ZMOGYAJESA-N 0 0 498.517 5.071 40 30 JKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)N(CCCc4ccccc4)C3=O)o2)cc1 ZINC000409016929 570101455 /nfs/dbraw/zinc/10/14/55/570101455.db2.gz BODZFCMXOGTMHH-JLMJRITGSA-N 0 0 489.600 7.055 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)SC2=Nc2ccccc2)cc1 ZINC000409016903 570101458 /nfs/dbraw/zinc/10/14/58/570101458.db2.gz LKLMNLSFOVZHIF-RKGFUWKLSA-N 0 0 491.572 6.631 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409017170 570101670 /nfs/dbraw/zinc/10/16/70/570101670.db2.gz FDMBZXCGMZEMHK-BUVRLJJBSA-N 0 0 472.516 5.235 40 30 JKEBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409017779 570101825 /nfs/dbraw/zinc/10/18/25/570101825.db2.gz VUXAAEMCQNOYMQ-BUESGFEBSA-N 0 0 461.370 6.279 40 30 JKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)cc1C ZINC000409018243 570102074 /nfs/dbraw/zinc/10/20/74/570102074.db2.gz TXZBBJYZKUVKHW-WKULSOCRSA-N 0 0 485.480 8.334 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409018575 570102094 /nfs/dbraw/zinc/10/20/94/570102094.db2.gz XGDMMAQXIWVSEW-BDFKGGEMSA-N 0 0 469.578 6.367 40 30 JKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc1C(C)C ZINC000409018387 570102101 /nfs/dbraw/zinc/10/21/01/570102101.db2.gz UYFGDXIFMSSLFT-MUFRIFMGSA-N 0 0 460.643 7.379 40 30 JKEBRN CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409018671 570102321 /nfs/dbraw/zinc/10/23/21/570102321.db2.gz OCDAHSJRMAOGTC-VXLYETTFSA-N 0 0 457.349 5.344 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409019865 570102664 /nfs/dbraw/zinc/10/26/64/570102664.db2.gz ZJNRQMUDKKPFPU-HYARGMPZSA-N 0 0 455.551 5.977 40 30 JKEBRN Cc1sc(N=NCc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 ZINC000409020369 570102729 /nfs/dbraw/zinc/10/27/29/570102729.db2.gz OOQVGUKWUQZVND-MFKUBSTISA-N 0 0 467.547 5.471 40 30 JKEBRN C#CCn1c(C)c(/C=C2/S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)c2ccccc21 ZINC000409021270 570103021 /nfs/dbraw/zinc/10/30/21/570103021.db2.gz ZSGGJXYYAXJVOL-GHZVKXTHSA-N 0 0 498.833 6.233 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1)c1c(F)cccc1F ZINC000409021034 570103045 /nfs/dbraw/zinc/10/30/45/570103045.db2.gz XCJSSDNELOZKBR-BIZUNTBRSA-N 0 0 479.486 6.787 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c(C)n1-c1cccc(C)c1 ZINC000409021564 570103151 /nfs/dbraw/zinc/10/31/51/570103151.db2.gz NSNKZRXVEIXFNX-FDAWAROLSA-N 0 0 481.665 7.654 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)S2)cc1 ZINC000409022125 570103237 /nfs/dbraw/zinc/10/32/37/570103237.db2.gz FLTKNQYZAXAXEO-PDGQHHTCSA-N 0 0 459.017 6.453 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccc(Cl)cc1 ZINC000409022207 570103259 /nfs/dbraw/zinc/10/32/59/570103259.db2.gz JFDNRBAOWFYDRH-HRXHUYTNSA-N 0 0 491.490 7.830 40 30 JKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000409022448 570103396 /nfs/dbraw/zinc/10/33/96/570103396.db2.gz OGXJYQRJATUHJX-OCKHKDLRSA-N 0 0 474.340 5.444 40 30 JKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)s2)cc1 ZINC000409022620 570103422 /nfs/dbraw/zinc/10/34/22/570103422.db2.gz DAFYMNRCHXXITG-STBIYBPSSA-N 0 0 464.099 8.771 40 30 JKEBRN COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)CC2 ZINC000253534149 570103446 /nfs/dbraw/zinc/10/34/46/570103446.db2.gz ZSKIWSWEZHHVGY-QPGRSYTGSA-N 0 0 482.705 6.709 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(C)n1-c1cccc(C)c1 ZINC000409023087 570103597 /nfs/dbraw/zinc/10/35/97/570103597.db2.gz CVWWDGYHCCLEAS-UXHLAJHPSA-N 0 0 467.638 7.346 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CC/C(=N/O)C(C)C)[C@]1(C)CC3 ZINC000253537478 570103636 /nfs/dbraw/zinc/10/36/36/570103636.db2.gz FCSQEEFDJACJJK-CRYOTYDESA-N 0 0 499.780 8.570 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409023730 570103773 /nfs/dbraw/zinc/10/37/73/570103773.db2.gz DOYQPSWCZQDBEI-OGLMXYFKSA-N 0 0 459.933 6.203 40 30 JKEBRN CCOc1cc(/C=N/O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000253577703 570103897 /nfs/dbraw/zinc/10/38/97/570103897.db2.gz XJMFZABEWKESKK-DNTJNYDQSA-N 0 0 466.102 5.384 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000409024194 570103946 /nfs/dbraw/zinc/10/39/46/570103946.db2.gz BGSDQUNKXAJTQR-RUMWWMSVSA-N 0 0 473.576 7.186 40 30 JKEBRN Cc1ccccc1C(=O)O/N=C1/c2ccccc2/C(=N\OC(=O)c2ccccc2C)[C@@H]1c1ccccc1 ZINC000253578792 570104004 /nfs/dbraw/zinc/10/40/04/570104004.db2.gz YUFSGCVNGJKMHS-MSZUZGNFSA-N 0 0 488.543 6.223 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000409025882 570104298 /nfs/dbraw/zinc/10/42/98/570104298.db2.gz ZLLVSQXRSSMDIA-MZJWZYIUSA-N 0 0 477.973 6.446 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000409025827 570104371 /nfs/dbraw/zinc/10/43/71/570104371.db2.gz XVCTWVXKJHNVTE-JVWAILMASA-N 0 0 457.555 6.182 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@](O)(C#Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609305 570104461 /nfs/dbraw/zinc/10/44/61/570104461.db2.gz NBYMYOUPDJRGDD-AAHBDLHMSA-N 0 0 488.800 8.891 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@](O)(C#Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609306 570104501 /nfs/dbraw/zinc/10/45/01/570104501.db2.gz NBYMYOUPDJRGDD-PGYOQKGXSA-N 0 0 488.800 8.891 40 30 JKEBRN C=C1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3OC(=O)c3ccccc3)[C@@H]12 ZINC000253612329 570104699 /nfs/dbraw/zinc/10/46/99/570104699.db2.gz IQNLADADEQVSMP-ZZSJLXDOSA-N 0 0 450.619 6.353 40 30 JKEBRN Cc1ccccc1C(=O)Oc1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000409027030 570104799 /nfs/dbraw/zinc/10/47/99/570104799.db2.gz RJRYTVJAKOHKPC-AFUMVMLFSA-N 0 0 458.499 5.692 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NC=C(c1ccccc1)C(Cl)c1ccccc1 ZINC000253616943 570105146 /nfs/dbraw/zinc/10/51/46/570105146.db2.gz XBICWMYYYTWLTG-ZMPFNMKOSA-N 0 0 490.825 6.727 40 30 JKEBRN COc1cc(C=NNC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl ZINC000409030735 570105728 /nfs/dbraw/zinc/10/57/28/570105728.db2.gz FLOQIZLGZXMHOB-IJFXDBOGSA-N 0 0 493.206 6.295 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000409030644 570105700 /nfs/dbraw/zinc/10/57/00/570105700.db2.gz HBZYWUFWSRDYDO-KYMQWJLESA-N 0 0 468.800 6.361 40 30 JKEBRN CCOC(=O)c1ccc(COc2cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 ZINC000409030301 570105716 /nfs/dbraw/zinc/10/57/16/570105716.db2.gz CYLMPKMVLSLNON-IPBVOBEMSA-N 0 0 466.353 5.156 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1F ZINC000409030900 570105739 /nfs/dbraw/zinc/10/57/39/570105739.db2.gz IKAUSMHPKSJGSB-LGUSAWBASA-N 0 0 456.333 5.517 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc([N+](=O)[O-])c1 ZINC000409030726 570105758 /nfs/dbraw/zinc/10/57/58/570105758.db2.gz FBBKSOLJFGMAEL-UHFFFAOYSA-N 0 0 498.623 6.523 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cc(Br)ccc1OCc1ccccc1 ZINC000409031573 570105839 /nfs/dbraw/zinc/10/58/39/570105839.db2.gz HMHAYNYIQWEGPX-WMDMUMDLSA-N 0 0 473.186 5.742 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409031653 570105990 /nfs/dbraw/zinc/10/59/90/570105990.db2.gz JWJJHXOKHBZWKI-VPUKRXIYSA-N 0 0 489.347 6.041 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccccc1C#N ZINC000409032422 570106017 /nfs/dbraw/zinc/10/60/17/570106017.db2.gz BZMXWMOQELOTTQ-JNNAGZRYSA-N 0 0 483.771 5.513 40 30 JKEBRN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2O)C2=C1CC(C)(C)CC2=O ZINC000409032468 570106028 /nfs/dbraw/zinc/10/60/28/570106028.db2.gz CEAXLCNRMYAOGC-UHFFFAOYSA-N 0 0 486.450 6.250 40 30 JKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21 ZINC000409034213 570106255 /nfs/dbraw/zinc/10/62/55/570106255.db2.gz PXUSQDVLPWKPLU-XNTDXEJSSA-N 0 0 457.402 5.393 40 30 JKEBRN CCN(CC)c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(OCc2ccc(Cl)cc2)c1 ZINC000409034269 570106259 /nfs/dbraw/zinc/10/62/59/570106259.db2.gz NAMHYBSKFKGXAD-PNQUVVCRSA-N 0 0 499.858 6.479 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409034762 570106336 /nfs/dbraw/zinc/10/63/36/570106336.db2.gz IGKVMUZWRJQEDP-WBSLIQCRSA-N 0 0 497.625 6.940 40 30 JKEBRN 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ZINC000409089623 570124445 /nfs/dbraw/zinc/12/44/45/570124445.db2.gz NHKBFHYAVOMLIK-DSWROXKMSA-N 0 0 481.061 7.564 40 30 JKEBRN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000409089626 570124454 /nfs/dbraw/zinc/12/44/54/570124454.db2.gz NHKBFHYAVOMLIK-IUUQDGFPSA-N 0 0 481.061 7.564 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1N1CCCC1 ZINC000409089998 570124472 /nfs/dbraw/zinc/12/44/72/570124472.db2.gz NYXSEQVYFKBLGP-GOESLVMASA-N 0 0 454.039 6.509 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)cc1OCC ZINC000409094393 570125980 /nfs/dbraw/zinc/12/59/80/570125980.db2.gz DYUPOIBRVVHJIE-NVNXTCNLSA-N 0 0 468.269 5.924 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000409090409 570124562 /nfs/dbraw/zinc/12/45/62/570124562.db2.gz PIPQZIAYCOTGDY-AQBZCYANSA-N 0 0 474.969 6.169 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3OCC#N)c2C(=O)NCc2ccco2)C1 ZINC000409090400 570124577 /nfs/dbraw/zinc/12/45/77/570124577.db2.gz PHZROLROXGNCDA-CLSXKXNXSA-N 0 0 475.614 6.075 40 30 JKEBRN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409090103 570124586 /nfs/dbraw/zinc/12/45/86/570124586.db2.gz KYERXXOALBMOKW-MAFAOTQISA-N 0 0 454.592 5.472 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c(OCc4ccccc4)ccc4ccccc43)sc2C1 ZINC000409090531 570124731 /nfs/dbraw/zinc/12/47/31/570124731.db2.gz NSIQJDUDKFIZKX-LGBKSJOCSA-N 0 0 478.661 8.254 40 30 JKEBRN C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409090803 570124733 /nfs/dbraw/zinc/12/47/33/570124733.db2.gz QHIRMAMUJAMOKY-KEBDBYFISA-N 0 0 491.396 5.416 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409090726 570124759 /nfs/dbraw/zinc/12/47/59/570124759.db2.gz NZOJBBOWTQYXEN-CHHVJCJISA-N 0 0 496.111 5.015 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000409091171 570124866 /nfs/dbraw/zinc/12/48/66/570124866.db2.gz PXURBNJPFPDHIX-RSXURMKNSA-N 0 0 461.631 6.348 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409091033 570124887 /nfs/dbraw/zinc/12/48/87/570124887.db2.gz OOQNLNUXFAIBHX-XKZIYDEJSA-N 0 0 474.343 7.070 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1ccccc1 ZINC000409091504 570124936 /nfs/dbraw/zinc/12/49/36/570124936.db2.gz QWJJVJHXSWLVIZ-ONWZCDOSSA-N 0 0 458.627 7.109 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000409091708 570124938 /nfs/dbraw/zinc/12/49/38/570124938.db2.gz TYBGIHHRDSTPHT-QINIYCGCSA-N 0 0 469.393 7.124 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409091637 570124975 /nfs/dbraw/zinc/12/49/75/570124975.db2.gz QWDICKATPXOKEP-FKHPOCDDSA-N 0 0 495.826 6.221 40 30 JKEBRN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409091598 570124989 /nfs/dbraw/zinc/12/49/89/570124989.db2.gz RSCWDYPLTANCEP-MTJSOVHGSA-N 0 0 482.005 5.190 40 30 JKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2c1 ZINC000409091472 570124993 /nfs/dbraw/zinc/12/49/93/570124993.db2.gz QSUJUYWXGQSMEY-HMNPYCRMSA-N 0 0 467.638 7.678 40 30 JKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2C)c1C ZINC000409091422 570125007 /nfs/dbraw/zinc/12/50/07/570125007.db2.gz QLKUEILQAYQLIH-DOQXUOTISA-N 0 0 487.669 7.024 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc2)cc1 ZINC000409091640 570125014 /nfs/dbraw/zinc/12/50/14/570125014.db2.gz QYNJYODINHSLFE-LJUMEUDFSA-N 0 0 484.621 6.788 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(Br)o3)c2C(=O)NCc2ccco2)C1 ZINC000409092103 570125103 /nfs/dbraw/zinc/12/51/03/570125103.db2.gz UXUJWDCXVHWSST-CWYRIDLXSA-N 0 0 489.435 6.528 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC ZINC000409092092 570125070 /nfs/dbraw/zinc/12/50/70/570125070.db2.gz SYOBCUJYBMLRND-DHEUOCGHSA-N 0 0 491.440 6.827 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1OCC ZINC000409092178 570125207 /nfs/dbraw/zinc/12/52/07/570125207.db2.gz WDQXRFVHPSZJOF-AGEIGWASSA-N 0 0 491.440 6.971 40 30 JKEBRN O=C1/C(=C\c2ccccc2OCc2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000409092390 570125234 /nfs/dbraw/zinc/12/52/34/570125234.db2.gz VJUGPJQYPDUVLW-JBXMWWLNSA-N 0 0 490.628 6.938 40 30 JKEBRN C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409092284 570125243 /nfs/dbraw/zinc/12/52/43/570125243.db2.gz VDFRLMRYXGAGOS-FYJGNVAPSA-N 0 0 470.978 5.153 40 30 JKEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000409092241 570125253 /nfs/dbraw/zinc/12/52/53/570125253.db2.gz UJLBEQIESCIHTR-GUYNSBPLSA-N 0 0 464.974 6.556 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000409092561 570125323 /nfs/dbraw/zinc/12/53/23/570125323.db2.gz WZOMEZYSHJSYDL-CCVNUDIWSA-N 0 0 473.451 6.346 40 30 JKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409093182 570125462 /nfs/dbraw/zinc/12/54/62/570125462.db2.gz XXBPIHSUQHQCHL-BEBKROGQSA-N 0 0 460.643 7.301 40 30 JKEBRN C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000409093024 570125482 /nfs/dbraw/zinc/12/54/82/570125482.db2.gz YNNHWMHMINFMRK-BUVRLJJBSA-N 0 0 472.566 5.262 40 30 JKEBRN CC(C)(C)c1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(C(C)(C)C)c1O ZINC000409093297 570125590 /nfs/dbraw/zinc/12/55/90/570125590.db2.gz YRTKIVSWPKIXQZ-ACXHZZMFSA-N 0 0 492.685 7.201 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc(OC)c1O ZINC000409093460 570125633 /nfs/dbraw/zinc/12/56/33/570125633.db2.gz ZNLLTRYGTUNWOZ-KRDLZBRLSA-N 0 0 492.641 6.625 40 30 JKEBRN Cc1c(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409093755 570125714 /nfs/dbraw/zinc/12/57/14/570125714.db2.gz AYVDURRLDKFTDU-RPPGKUMJSA-N 0 0 454.317 6.054 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1ccccc1F ZINC000409093542 570125727 /nfs/dbraw/zinc/12/57/27/570125727.db2.gz AONOZQNZRQGEPX-ORBVJSQLSA-N 0 0 498.274 6.036 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl ZINC000409093803 570125912 /nfs/dbraw/zinc/12/59/12/570125912.db2.gz ADKZPNWDTNRQEX-SSDVNMTOSA-N 0 0 496.325 5.676 40 30 JKEBRN Cc1cc(=O)[nH]c(Sc2ccc(C=Nc3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])n1 ZINC000409094281 570125988 /nfs/dbraw/zinc/12/59/88/570125988.db2.gz DFHGCXMSAWXUCI-FOKLQQMPSA-N 0 0 451.533 5.113 40 30 JKEBRN Fc1ccccc1COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409096935 570126977 /nfs/dbraw/zinc/12/69/77/570126977.db2.gz MPLZTHNLYNYNIE-YPXUMCKCSA-N 0 0 468.248 6.027 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Cl)c(OCc3ccccc3)c(Br)c2)nc1 ZINC000409095452 570126448 /nfs/dbraw/zinc/12/64/48/570126448.db2.gz HOQPTNYTHXGLQU-YPXUMCKCSA-N 0 0 484.703 6.541 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409095617 570126499 /nfs/dbraw/zinc/12/64/99/570126499.db2.gz IBRJEJBUVAXTPZ-UDWIEESQSA-N 0 0 474.376 5.649 40 30 JKEBRN Cc1ccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000409095693 570126528 /nfs/dbraw/zinc/12/65/28/570126528.db2.gz IEOKLSWWWRWVCB-XODNFHPESA-N 0 0 452.436 6.371 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1Sc1ccc(Cl)cc1 ZINC000409095913 570126554 /nfs/dbraw/zinc/12/65/54/570126554.db2.gz BRDMKAGPJQOWHE-ROTLSHHCSA-N 0 0 451.857 6.864 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C1=O ZINC000409096573 570126803 /nfs/dbraw/zinc/12/68/03/570126803.db2.gz LLGLWBWRULGYOY-HYARGMPZSA-N 0 0 480.383 6.404 40 30 JKEBRN CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(CCCc3ccccc3)C1=O)OCO2 ZINC000409097279 570127115 /nfs/dbraw/zinc/12/71/15/570127115.db2.gz LVFHCQDBPIHNST-YTYDTYSUSA-N 0 0 486.593 6.051 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)C1=O ZINC000409097515 570127251 /nfs/dbraw/zinc/12/72/51/570127251.db2.gz NZMOWGBVLXTNPK-HYARGMPZSA-N 0 0 480.383 6.404 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000409097653 570127259 /nfs/dbraw/zinc/12/72/59/570127259.db2.gz NRDBMZYYUIHOHI-HHDGGSFGSA-N 0 0 457.574 6.230 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=Nc2ccccc2)N1CCCc1ccccc1 ZINC000409097854 570127303 /nfs/dbraw/zinc/12/73/03/570127303.db2.gz OFSVCHNTYKNJMJ-NDFXULMZSA-N 0 0 483.637 5.760 40 30 JKEBRN Cc1ccc(NC(=O)Cn2cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000409097843 570127414 /nfs/dbraw/zinc/12/74/14/570127414.db2.gz HONPSSIVFZQVIY-VFLNYLIXSA-N 0 0 495.461 5.961 40 30 JKEBRN C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000409098509 570127619 /nfs/dbraw/zinc/12/76/19/570127619.db2.gz OZXOHWGKBMYUHI-WKULSOCRSA-N 0 0 485.462 6.376 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000409098826 570127709 /nfs/dbraw/zinc/12/77/09/570127709.db2.gz QNYJFYXRUSDQKB-BRJLIKDPSA-N 0 0 460.368 5.547 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1C ZINC000409099428 570127857 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ZINC000409203056 570166145 /nfs/dbraw/zinc/16/61/45/570166145.db2.gz UVYNAIWICAJCLL-CBYHCJJPSA-N 0 0 459.395 5.024 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1F ZINC000409202897 570166177 /nfs/dbraw/zinc/16/61/77/570166177.db2.gz VDOVBAPRSBTXQB-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2cccc(C)c2C)cc1 ZINC000409202966 570166196 /nfs/dbraw/zinc/16/61/96/570166196.db2.gz TXQJISRHOXXUSH-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409202906 570166198 /nfs/dbraw/zinc/16/61/98/570166198.db2.gz UFTCKBGAYAHTOV-AFUMVMLFSA-N 0 0 473.208 7.104 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(OCC)c1OC ZINC000409203140 570166271 /nfs/dbraw/zinc/16/62/71/570166271.db2.gz WKLDQVRTOZJBSO-XDHOZWIPSA-N 0 0 490.444 5.991 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409203169 570166279 /nfs/dbraw/zinc/16/62/79/570166279.db2.gz UVISJUYTTBNNLR-AFUMVMLFSA-N 0 0 480.369 5.919 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409203407 570166338 /nfs/dbraw/zinc/16/63/38/570166338.db2.gz WCNKVJRJTVDVQE-BRJLIKDPSA-N 0 0 490.299 7.060 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409203393 570166342 /nfs/dbraw/zinc/16/63/42/570166342.db2.gz XSVOIZWDIXUJCN-ZVHZXABRSA-N 0 0 450.343 5.910 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409203354 570166381 /nfs/dbraw/zinc/16/63/81/570166381.db2.gz XKTFXJQXLNUZDI-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409203429 570166403 /nfs/dbraw/zinc/16/64/03/570166403.db2.gz WFVHNXIKSNCJJJ-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409203631 570166436 /nfs/dbraw/zinc/16/64/36/570166436.db2.gz ZNTKBRAEZLRMQS-LUOAPIJWSA-N 0 0 469.246 7.772 40 30 JKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O ZINC000409203607 570166504 /nfs/dbraw/zinc/16/65/04/570166504.db2.gz ZCWSGIPNJUYADR-RGVLZGJSSA-N 0 0 454.429 6.074 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3Cl)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409203949 570166611 /nfs/dbraw/zinc/16/66/11/570166611.db2.gz ZURWHBLWEHVZIE-UUYOSTAYSA-N 0 0 495.944 5.727 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409203802 570166630 /nfs/dbraw/zinc/16/66/30/570166630.db2.gz YWOOVYGIARHGTB-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409206246 570167224 /nfs/dbraw/zinc/16/72/24/570167224.db2.gz NIOXBKZCIWXSNZ-PNIHAXPCSA-N 0 0 463.647 6.221 40 30 JKEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362636 570167767 /nfs/dbraw/zinc/16/77/67/570167767.db2.gz MMPXYGOECCDDMF-HSZRJFAPSA-O 0 0 477.654 5.688 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000409207888 570167939 /nfs/dbraw/zinc/16/79/39/570167939.db2.gz CAUROLNMQLCZLL-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OCc1ccccc1 ZINC000409208120 570168110 /nfs/dbraw/zinc/16/81/10/570168110.db2.gz BDFWZHIRBBOEIP-LJTOANMOSA-N 0 0 498.692 7.837 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409208534 570168170 /nfs/dbraw/zinc/16/81/70/570168170.db2.gz CFARBBUWBWXIBC-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409208620 570168326 /nfs/dbraw/zinc/16/83/26/570168326.db2.gz HEXPIOUUZDEZTK-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000409208642 570168335 /nfs/dbraw/zinc/16/83/35/570168335.db2.gz DDUIBLZRBNTOAW-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409208623 570168361 /nfs/dbraw/zinc/16/83/61/570168361.db2.gz HFCBHEDYJOBFSM-KWUUABPOSA-N 0 0 487.669 6.762 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1ccccc1F ZINC000409208664 570168363 /nfs/dbraw/zinc/16/83/63/570168363.db2.gz DNSHKWGTFFNUGY-NMQPEJGJSA-N 0 0 490.644 7.638 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409208912 570168462 /nfs/dbraw/zinc/16/84/62/570168462.db2.gz ATZMNUYPNNYRTN-ZVHZXABRSA-N 0 0 494.794 6.020 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409209048 570168621 /nfs/dbraw/zinc/16/86/21/570168621.db2.gz FEBQMWZGENTWNV-WSDLNYQXSA-N 0 0 456.252 6.117 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)S2)c(C)c1 ZINC000409209154 570168632 /nfs/dbraw/zinc/16/86/32/570168632.db2.gz GMRKITSPMNQAIJ-STBIYBPSSA-N 0 0 487.628 7.351 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C(=O)N1C(C)C ZINC000409209192 570168659 /nfs/dbraw/zinc/16/86/59/570168659.db2.gz GSFTVJAOQNWOQM-DMAPRCRCSA-N 0 0 462.590 6.647 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409209491 570168782 /nfs/dbraw/zinc/16/87/82/570168782.db2.gz FWVHXYRFDSYJFU-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409209400 570168795 /nfs/dbraw/zinc/16/87/95/570168795.db2.gz GRCAHGPPSMCQOY-JVWAILMASA-N 0 0 452.392 7.048 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409209524 570168843 /nfs/dbraw/zinc/16/88/43/570168843.db2.gz GBYDCVXUJLPGGX-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409209573 570168896 /nfs/dbraw/zinc/16/88/96/570168896.db2.gz HCEPXCPGDVQXAX-YDZHTSKRSA-N 0 0 486.278 6.207 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409209521 570168875 /nfs/dbraw/zinc/16/88/75/570168875.db2.gz CCSFCLDJLAJZDU-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N1C(C)C ZINC000409209647 570168879 /nfs/dbraw/zinc/16/88/79/570168879.db2.gz DABLJPOVJCKBIZ-CHNNLWIBSA-N 0 0 460.603 5.369 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccccc1Cl ZINC000409209783 570168982 /nfs/dbraw/zinc/16/89/82/570168982.db2.gz IAVCRTUDIACIND-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409209844 570168983 /nfs/dbraw/zinc/16/89/83/570168983.db2.gz GJFZBSDNBVDBCV-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc21 ZINC000409209666 570169033 /nfs/dbraw/zinc/16/90/33/570169033.db2.gz HPNCERAMDSMAKY-RUMWWMSVSA-N 0 0 459.545 7.970 40 30 JKEBRN CCCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409210194 570169301 /nfs/dbraw/zinc/16/93/01/570169301.db2.gz IXNNORXAUGJTOC-PCLIKHOPSA-N 0 0 487.337 6.632 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209900 570169142 /nfs/dbraw/zinc/16/91/42/570169142.db2.gz JQZRASGSYCSVCH-CVKSISIWSA-N 0 0 478.397 6.473 40 30 JKEBRN CCc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409209962 570169155 /nfs/dbraw/zinc/16/91/55/570169155.db2.gz IUAHEMPLDJNYNX-MFKUBSTISA-N 0 0 471.338 6.192 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c(C)c1 ZINC000409210121 570169176 /nfs/dbraw/zinc/16/91/76/570169176.db2.gz IJCAAPKJEVLGDT-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409210260 570169280 /nfs/dbraw/zinc/16/92/80/570169280.db2.gz IXLOBZOVOYRYJV-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210145 570169290 /nfs/dbraw/zinc/16/92/90/570169290.db2.gz FCVGBTBBBZHWRD-VULFUBBASA-N 0 0 483.362 6.702 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210242 570169299 /nfs/dbraw/zinc/16/92/99/570169299.db2.gz JHONJNGGZLDDAS-BRJLIKDPSA-N 0 0 489.753 6.657 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409210224 570169305 /nfs/dbraw/zinc/16/93/05/570169305.db2.gz FOCJZUWXDILUSX-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1cccc(Cl)c1 ZINC000409210160 570169310 /nfs/dbraw/zinc/16/93/10/570169310.db2.gz FGPQREBYSMWBAB-ZMOGYAJESA-N 0 0 477.729 6.283 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409210165 570169330 /nfs/dbraw/zinc/16/93/30/570169330.db2.gz ILNNNGSADWWHLW-OGLMXYFKSA-N 0 0 458.901 7.370 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000409210419 570169388 /nfs/dbraw/zinc/16/93/88/570169388.db2.gz JTSLEXSJPVWHQK-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)cc2)cc1 ZINC000409210439 570169413 /nfs/dbraw/zinc/16/94/13/570169413.db2.gz KBYTWBBBQZAEFZ-BUVRLJJBSA-N 0 0 499.592 5.299 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409210515 570169438 /nfs/dbraw/zinc/16/94/38/570169438.db2.gz KZRXNIXODYBYFH-WKULSOCRSA-N 0 0 450.365 7.793 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409210427 570169479 /nfs/dbraw/zinc/16/94/79/570169479.db2.gz JXFZKYKXLMVZJS-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1C(C)C ZINC000409210374 570169487 /nfs/dbraw/zinc/16/94/87/570169487.db2.gz KDRSVJGNULCGAQ-RRJMXWIWSA-N 0 0 473.436 6.117 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409210599 570169526 /nfs/dbraw/zinc/16/95/26/570169526.db2.gz LRRMKGMLNGMRKE-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1 ZINC000409211635 570170152 /nfs/dbraw/zinc/17/01/52/570170152.db2.gz NJIMCAARBCOONB-VULFUBBASA-N 0 0 485.365 6.555 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Br)cc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409210689 570169552 /nfs/dbraw/zinc/16/95/52/570169552.db2.gz LZWRSAFZLMMBOM-FSJBWODESA-N 0 0 490.151 6.449 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccccc1 ZINC000409210859 570169628 /nfs/dbraw/zinc/16/96/28/570169628.db2.gz LGECKYBKVTWPMR-AFUMVMLFSA-N 0 0 471.338 6.246 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409210994 570169668 /nfs/dbraw/zinc/16/96/68/570169668.db2.gz LJPUZPCDMZXXIP-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN C#CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000409211009 570169707 /nfs/dbraw/zinc/16/97/07/570169707.db2.gz LRJPYXHYPKZOLX-LICLKQGHSA-N 0 0 495.725 5.198 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409210834 570169730 /nfs/dbraw/zinc/16/97/30/570169730.db2.gz LPVLFZATEPAXDB-OCSSWDANSA-N 0 0 488.425 7.947 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000409211029 570169769 /nfs/dbraw/zinc/16/97/69/570169769.db2.gz MIDOHTYRLYNWOJ-AFUMVMLFSA-N 0 0 473.208 7.104 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409211054 570169789 /nfs/dbraw/zinc/16/97/89/570169789.db2.gz KGBFMDRDLSXXKN-DHRITJCHSA-N 0 0 469.881 6.715 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409211107 570169796 /nfs/dbraw/zinc/16/97/96/570169796.db2.gz KUUQVFJRNHVHFK-HYRRXTCYSA-N 0 0 483.603 7.948 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000409211087 570169823 /nfs/dbraw/zinc/16/98/23/570169823.db2.gz KOOLTSCTLAIFMR-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1C(C)C ZINC000409211208 570169842 /nfs/dbraw/zinc/16/98/42/570169842.db2.gz NBUSIPAFSKBTNN-BYVRFLJOSA-N 0 0 463.430 6.662 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409211388 570169898 /nfs/dbraw/zinc/16/98/98/570169898.db2.gz NPTIJFNFGWETBX-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409211254 570169899 /nfs/dbraw/zinc/16/98/99/570169899.db2.gz MRSLHRCTTTZEDG-AFUMVMLFSA-N 0 0 453.336 5.534 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000409211264 570169924 /nfs/dbraw/zinc/16/99/24/570169924.db2.gz NEWAHEZPSHFRQG-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1C ZINC000409211318 570169941 /nfs/dbraw/zinc/16/99/41/570169941.db2.gz MVSZIGCNOGIXRZ-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211544 570170016 /nfs/dbraw/zinc/17/00/16/570170016.db2.gz ODAXHRYMBHVUFE-ZTKZIYFRSA-N 0 0 487.577 6.704 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(OCCOc4ccccc4)c3)sc2C1 ZINC000409211450 570170021 /nfs/dbraw/zinc/17/00/21/570170021.db2.gz NHLGAFWKAMMLOS-QYJXRTEHSA-N 0 0 458.627 6.979 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1Cl ZINC000409211525 570170036 /nfs/dbraw/zinc/17/00/36/570170036.db2.gz JRGLXGFMAQNLQF-IPBVOBEMSA-N 0 0 496.221 7.685 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409211708 570170157 /nfs/dbraw/zinc/17/01/57/570170157.db2.gz NYYNCFHBASAZJH-MTDXEUNCSA-N 0 0 493.968 6.659 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c1 ZINC000409211745 570170173 /nfs/dbraw/zinc/17/01/73/570170173.db2.gz OKQHDRLLTWORFA-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1 ZINC000409211957 570170295 /nfs/dbraw/zinc/17/02/95/570170295.db2.gz OWOQOFZXBCXZGO-BUVRLJJBSA-N 0 0 457.311 6.020 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409212065 570170388 /nfs/dbraw/zinc/17/03/88/570170388.db2.gz PQFOSHBMDDABMR-YZSQISJMSA-N 0 0 499.348 6.798 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409212082 570170410 /nfs/dbraw/zinc/17/04/10/570170410.db2.gz OTDYXOBAAUTLDU-LGJNPRDNSA-N 0 0 498.815 6.872 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409212020 570170415 /nfs/dbraw/zinc/17/04/15/570170415.db2.gz PEIITDXEHQOUFL-WCQUZOIFSA-N 0 0 498.048 6.278 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3s1)C[C@H](c1ccccc1)CC2 ZINC000261526570 570170402 /nfs/dbraw/zinc/17/04/02/570170402.db2.gz BEHIRDACEFQJJH-MRXNPFEDSA-N 0 0 461.637 6.233 40 30 JKEBRN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S[C@H]3CC(=O)N(c4ccccc4)C3=O)n2)cc1 ZINC000261526671 570170414 /nfs/dbraw/zinc/17/04/14/570170414.db2.gz GHYKJXKEQJIANI-FQEVSTJZSA-N 0 0 483.471 5.072 40 30 JKEBRN O=C(COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl)Nc1ccccc1 ZINC000409212277 570170442 /nfs/dbraw/zinc/17/04/42/570170442.db2.gz PIXNPCXLQWYEDC-OCSSWDANSA-N 0 0 491.374 7.554 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2Br)cc1 ZINC000409212407 570170512 /nfs/dbraw/zinc/17/05/12/570170512.db2.gz MASKVHAVWKTOQQ-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCCCC4)sc2C1 ZINC000261526864 570170506 /nfs/dbraw/zinc/17/05/06/570170506.db2.gz NOECRVGPACFQMU-OAHLLOKOSA-N 0 0 450.633 5.401 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409212444 570170537 /nfs/dbraw/zinc/17/05/37/570170537.db2.gz MHZSNEHDQNKJBE-KVSWJAHQSA-N 0 0 491.802 7.040 40 30 JKEBRN CCc1ccc(/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409212665 570170598 /nfs/dbraw/zinc/17/05/98/570170598.db2.gz RLPKCWVLLHGSFU-VULFUBBASA-N 0 0 489.328 6.331 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 ZINC000409212709 570170633 /nfs/dbraw/zinc/17/06/33/570170633.db2.gz PSVGBVJXCDMDJS-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccccc1F ZINC000409212860 570170647 /nfs/dbraw/zinc/17/06/47/570170647.db2.gz RQYRAPBBBUAOFR-JFLMPSFJSA-N 0 0 456.355 6.879 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000409212952 570170780 /nfs/dbraw/zinc/17/07/80/570170780.db2.gz NMVJALHXWOUZIU-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409213011 570170782 /nfs/dbraw/zinc/17/07/82/570170782.db2.gz RUJMYWZPNNJXFY-VFLNYLIXSA-N 0 0 492.881 7.825 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409212935 570170804 /nfs/dbraw/zinc/17/08/04/570170804.db2.gz SJQCDPCGRMQKQL-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409213181 570170878 /nfs/dbraw/zinc/17/08/78/570170878.db2.gz SQVZUUKIOOFDGD-WYMPLXKRSA-N 0 0 455.854 6.325 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409213078 570170891 /nfs/dbraw/zinc/17/08/91/570170891.db2.gz SDIYVXOFKWQEAC-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409213077 570170919 /nfs/dbraw/zinc/17/09/19/570170919.db2.gz SFFBUYCOCYNXTB-IPBVOBEMSA-N 0 0 499.272 7.780 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 ZINC000409213589 570171119 /nfs/dbraw/zinc/17/11/19/570171119.db2.gz PXQNRBDQAGYSHG-CVKSISIWSA-N 0 0 467.363 5.924 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OC ZINC000409213571 570171136 /nfs/dbraw/zinc/17/11/36/570171136.db2.gz SFMBMLTZOIZRSB-OEAKJJBVSA-N 0 0 459.283 5.851 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409213672 570171164 /nfs/dbraw/zinc/17/11/64/570171164.db2.gz UVTLIKAHHILHTQ-LUOAPIJWSA-N 0 0 485.245 7.472 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1cccc(C)c1 ZINC000409213690 570171263 /nfs/dbraw/zinc/17/12/63/570171263.db2.gz QHFGQFYUNZHNIL-UFFVZDAASA-N 0 0 472.654 7.417 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409213896 570171268 /nfs/dbraw/zinc/17/12/68/570171268.db2.gz WDDRUBSLJQRHRP-KVSWJAHQSA-N 0 0 478.854 7.435 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1C(C)C ZINC000409213808 570171279 /nfs/dbraw/zinc/17/12/79/570171279.db2.gz VHFSYUYPCIUHPY-RRJMXWIWSA-N 0 0 473.436 6.117 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409213692 570171293 /nfs/dbraw/zinc/17/12/93/570171293.db2.gz UYJGXBTYDWTKHA-JFLMPSFJSA-N 0 0 452.392 7.103 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000409214014 570171409 /nfs/dbraw/zinc/17/14/09/570171409.db2.gz WSJLJURPLNBSGB-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409214020 570171419 /nfs/dbraw/zinc/17/14/19/570171419.db2.gz WTQGNUDMLNYYRJ-LGJNPRDNSA-N 0 0 498.815 6.872 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1C(C)C ZINC000409214253 570171541 /nfs/dbraw/zinc/17/15/41/570171541.db2.gz WJOGYIYTUVVZAO-VRPAEGBYSA-N 0 0 467.638 6.932 40 30 JKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409214343 570171667 /nfs/dbraw/zinc/17/16/67/570171667.db2.gz WXZLVRWGUXKKEO-MFKUBSTISA-N 0 0 485.175 6.767 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1Cl ZINC000409214452 570171689 /nfs/dbraw/zinc/17/16/89/570171689.db2.gz XMMGHRXLAJONFA-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409214647 570171724 /nfs/dbraw/zinc/17/17/24/570171724.db2.gz ZBCUVGRSBBKECL-OCSSWDANSA-N 0 0 488.425 7.947 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409214724 570171732 /nfs/dbraw/zinc/17/17/32/570171732.db2.gz YFAASURZCZNSHC-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409214510 570171748 /nfs/dbraw/zinc/17/17/48/570171748.db2.gz YAQJAWDRLMZRNX-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409214528 570171791 /nfs/dbraw/zinc/17/17/91/570171791.db2.gz YEOVANMZXFRQQS-AJBULDERSA-N 0 0 474.516 7.870 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000409214638 570171806 /nfs/dbraw/zinc/17/18/06/570171806.db2.gz YVXCKSFVJLNHNR-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409214953 570171883 /nfs/dbraw/zinc/17/18/83/570171883.db2.gz VKTWTYJYNLCILJ-STBIYBPSSA-N 0 0 474.398 7.639 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000409214939 570171919 /nfs/dbraw/zinc/17/19/19/570171919.db2.gz VIDXJQXNXAIMFY-WGOQTCKBSA-N 0 0 454.364 6.576 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409215040 570171947 /nfs/dbraw/zinc/17/19/47/570171947.db2.gz ZGXSPIDDWYOFLJ-ZVHZXABRSA-N 0 0 494.794 6.020 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000409215113 570171953 /nfs/dbraw/zinc/17/19/53/570171953.db2.gz ZXZWQVVCHKOEKQ-TWKHWXDSSA-N 0 0 466.537 6.646 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409215159 570171957 /nfs/dbraw/zinc/17/19/57/570171957.db2.gz XNVOLQOANJSCIU-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409215021 570172012 /nfs/dbraw/zinc/17/20/12/570172012.db2.gz ZDVJXSUPWGIOJG-BOSNEQTGSA-N 0 0 452.620 6.062 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409215293 570172067 /nfs/dbraw/zinc/17/20/67/570172067.db2.gz WYVHDFMONQKGQJ-KKMKTNMSSA-N 0 0 464.827 7.127 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409215349 570172094 /nfs/dbraw/zinc/17/20/94/570172094.db2.gz ZKZAEWOKYHNALX-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409215530 570172191 /nfs/dbraw/zinc/17/21/91/570172191.db2.gz APZUXLCKFOVEOM-KKMKTNMSSA-N 0 0 464.827 7.127 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409215582 570172224 /nfs/dbraw/zinc/17/22/24/570172224.db2.gz BRCKVGPGHXRJCG-YDZHTSKRSA-N 0 0 480.767 5.629 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409215804 570172323 /nfs/dbraw/zinc/17/23/23/570172323.db2.gz AZPKESCKNLEWKJ-MOSHPQCFSA-N 0 0 450.951 5.034 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000409215806 570172332 /nfs/dbraw/zinc/17/23/32/570172332.db2.gz FMLRXWMTSHPVGT-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409215712 570172333 /nfs/dbraw/zinc/17/23/33/570172333.db2.gz AIFMVQRBRNFVJK-DHRITJCHSA-N 0 0 469.881 6.715 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409216075 570172465 /nfs/dbraw/zinc/17/24/65/570172465.db2.gz DUBSUDRJHBANQE-GOQVHDTASA-N 0 0 489.037 6.125 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1C(=NO)C3=O ZINC000263595041 570172588 /nfs/dbraw/zinc/17/25/88/570172588.db2.gz DCXLPAQDVMWNSP-CZCJHKDFSA-N 0 0 485.709 6.357 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409216398 570172651 /nfs/dbraw/zinc/17/26/51/570172651.db2.gz HUUJQJOUOUKBQY-IPPBACCNSA-N 0 0 485.411 7.085 40 30 JKEBRN CCOc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000409216464 570172679 /nfs/dbraw/zinc/17/26/79/570172679.db2.gz LIPPUATWJUUHBT-OGLMXYFKSA-N 0 0 460.371 7.331 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)C3=C2CC[C@@]2(C)[C@@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]32)C1 ZINC000263610058 570172698 /nfs/dbraw/zinc/17/26/98/570172698.db2.gz VTJXNFAYWSDJMD-NLBJIUFFSA-N 0 0 452.679 7.225 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)C3=C2CC[C@@]2(C)[C@@H]([C@H](C)/C=C\[C@@H](C)C(C)C)CC[C@H]32)C1 ZINC000263610060 570172702 /nfs/dbraw/zinc/17/27/02/570172702.db2.gz VTJXNFAYWSDJMD-WQSRHAQNSA-N 0 0 452.679 7.225 40 30 JKEBRN COc1ccc(/N=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409216460 570172701 /nfs/dbraw/zinc/17/27/01/570172701.db2.gz LHSMOGUXARADGD-DHRITJCHSA-N 0 0 491.300 5.777 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1C#N ZINC000409216322 570172724 /nfs/dbraw/zinc/17/27/24/570172724.db2.gz HCFXAHSQOWHNHU-ZPEKZKEPSA-N 0 0 463.603 5.625 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1C ZINC000409216329 570172735 /nfs/dbraw/zinc/17/27/35/570172735.db2.gz HGGNKYDHLLAXTA-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409216606 570172757 /nfs/dbraw/zinc/17/27/57/570172757.db2.gz JURMYVCFBARMJS-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000409216490 570172764 /nfs/dbraw/zinc/17/27/64/570172764.db2.gz LWPRFHTWCCEMDS-ZVHZXABRSA-N 0 0 450.343 5.910 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409216844 570172859 /nfs/dbraw/zinc/17/28/59/570172859.db2.gz OXSCKOPMIAVCOL-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409216816 570172901 /nfs/dbraw/zinc/17/29/01/570172901.db2.gz LVHDYMDLKFLREW-OCSSWDANSA-N 0 0 461.920 7.610 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4c(F)cccc4Cl)c3)sc2C1 ZINC000409216688 570172939 /nfs/dbraw/zinc/17/29/39/570172939.db2.gz NZAXVOPZDDMDIB-FOMZIIOSSA-N 0 0 481.036 7.893 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409217094 570172978 /nfs/dbraw/zinc/17/29/78/570172978.db2.gz RMNHWCYXERZGDJ-BRJLIKDPSA-N 0 0 484.788 6.482 40 30 JKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409217002 570173004 /nfs/dbraw/zinc/17/30/04/570173004.db2.gz QOQVNFWDGAKVBU-YZSQISJMSA-N 0 0 454.364 7.180 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409216942 570173025 /nfs/dbraw/zinc/17/30/25/570173025.db2.gz MNDWLWHIAUQTQQ-ZXVVBBHZSA-N 0 0 459.523 6.006 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409217034 570173030 /nfs/dbraw/zinc/17/30/30/570173030.db2.gz QYTNJFHTIPOISJ-BUVRLJJBSA-N 0 0 458.377 5.838 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409217303 570173098 /nfs/dbraw/zinc/17/30/98/570173098.db2.gz OVMBNKXXOPZOGR-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1 ZINC000409217510 570173201 /nfs/dbraw/zinc/17/32/01/570173201.db2.gz WJKZLJMLZDAPSB-BUVRLJJBSA-N 0 0 451.435 5.843 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409217473 570173207 /nfs/dbraw/zinc/17/32/07/570173207.db2.gz VVLYYTKMJJZBQZ-VULFUBBASA-N 0 0 485.365 6.555 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217513 570173226 /nfs/dbraw/zinc/17/32/26/570173226.db2.gz WLNYMMWOXLANKT-MTDXEUNCSA-N 0 0 454.482 6.725 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F ZINC000409217836 570173309 /nfs/dbraw/zinc/17/33/09/570173309.db2.gz XFDOTXKAPCOKGO-FDAWAROLSA-N 0 0 475.947 8.000 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409217887 570173317 /nfs/dbraw/zinc/17/33/17/570173317.db2.gz YBBVXXXGZZTOGW-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409218015 570173466 /nfs/dbraw/zinc/17/34/66/570173466.db2.gz SCAHVKWKTGNTNF-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409218030 570173470 /nfs/dbraw/zinc/17/34/70/570173470.db2.gz SGDIYNIQXQZFLY-ZMOGYAJESA-N 0 0 455.854 6.406 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409218169 570173494 /nfs/dbraw/zinc/17/34/94/570173494.db2.gz YZWVGWUYHZKUDH-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN O=S(=O)(Oc1c(Br)cc(/C=N/c2ccccc2)cc1Br)c1ccccc1 ZINC000409218601 570173568 /nfs/dbraw/zinc/17/35/68/570173568.db2.gz WCCVLBXWNKPQSI-LPYMAVHISA-N 0 0 495.192 5.730 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000409218386 570173578 /nfs/dbraw/zinc/17/35/78/570173578.db2.gz UVKJJFOCPHLANA-IKMQVZDESA-N 0 0 451.592 5.102 40 30 JKEBRN C=CCc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409218878 570173677 /nfs/dbraw/zinc/17/36/77/570173677.db2.gz ICIRKRNHCBONPH-ONUIUJJFSA-N 0 0 499.588 5.922 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N1C(C)C ZINC000409218679 570173680 /nfs/dbraw/zinc/17/36/80/570173680.db2.gz XGMDHYYOIIOIEQ-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409218933 570173698 /nfs/dbraw/zinc/17/36/98/570173698.db2.gz LTAOGCFRWZIFMD-RWPZCVJISA-N 0 0 495.417 6.541 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1O ZINC000409219758 570173944 /nfs/dbraw/zinc/17/39/44/570173944.db2.gz UPNBAPOPLHVRHY-OEAKJJBVSA-N 0 0 459.283 5.938 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409221006 570174296 /nfs/dbraw/zinc/17/42/96/570174296.db2.gz JDXNILSOLSFDKX-AYXRXYJESA-N 0 0 471.504 6.129 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409220859 570174299 /nfs/dbraw/zinc/17/42/99/570174299.db2.gz GYQKGCCWRCOWKB-BUVRLJJBSA-N 0 0 499.523 5.004 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409221219 570174409 /nfs/dbraw/zinc/17/44/09/570174409.db2.gz MULXWSIHMVGHNI-DIRPYQRSSA-N 0 0 482.403 5.872 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409221342 570174604 /nfs/dbraw/zinc/17/46/04/570174604.db2.gz OXRLLRNLARLUDW-VIADFIPNSA-N 0 0 461.587 5.735 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409221578 570174620 /nfs/dbraw/zinc/17/46/20/570174620.db2.gz SFGTXKLKEPCUDO-IDEODVPUSA-N 0 0 473.642 6.652 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409221364 570174626 /nfs/dbraw/zinc/17/46/26/570174626.db2.gz PIIIRECKKUOXDY-MNEJGJRCSA-N 0 0 469.566 5.770 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409223862 570175430 /nfs/dbraw/zinc/17/54/30/570175430.db2.gz GCBQRIMUKJWXLJ-ATAQLJSPSA-N 0 0 475.408 5.869 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409226275 570175897 /nfs/dbraw/zinc/17/58/97/570175897.db2.gz MPNRZONAUBWYBE-KGENOOAVSA-N 0 0 499.405 5.458 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2)cc1 ZINC000409226692 570176079 /nfs/dbraw/zinc/17/60/79/570176079.db2.gz RFWAIKSFMRRNAB-UHFFFAOYSA-N 0 0 457.526 5.141 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409227194 570176192 /nfs/dbraw/zinc/17/61/92/570176192.db2.gz UCCFDTXHASCJAP-LGJNPRDNSA-N 0 0 488.327 6.068 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409228395 570176726 /nfs/dbraw/zinc/17/67/26/570176726.db2.gz YIHAESFXRIAWAJ-ZXMQTSGQSA-N 0 0 481.799 5.744 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)cc1 ZINC000409228662 570176758 /nfs/dbraw/zinc/17/67/58/570176758.db2.gz CGSRYZSJFKTLPL-HMAPJEAMSA-N 0 0 451.016 7.000 40 30 JKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1I ZINC000409228965 570176816 /nfs/dbraw/zinc/17/68/16/570176816.db2.gz HTKKMQSPGQWPQS-ISFSXHQYSA-N 0 0 496.345 5.453 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409228845 570176843 /nfs/dbraw/zinc/17/68/43/570176843.db2.gz FXTTULZFDXOWFM-TVYOTTPKSA-N 0 0 489.037 6.549 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409229086 570176928 /nfs/dbraw/zinc/17/69/28/570176928.db2.gz JOMSALNKVOQJEW-GTZNUUOLSA-N 0 0 476.558 5.635 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c(C)n1-c1ccccn1 ZINC000409229734 570177292 /nfs/dbraw/zinc/17/72/92/570177292.db2.gz UHOWKXNUVASRAX-XHKDLHGUSA-N 0 0 465.582 5.688 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409230711 570177671 /nfs/dbraw/zinc/17/76/71/570177671.db2.gz FPFDFFVBTZKAIW-FVGZADTASA-N 0 0 480.033 6.688 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccccc1C#N ZINC000409230918 570177684 /nfs/dbraw/zinc/17/76/84/570177684.db2.gz GYKQCRAPPHKOAS-ZMOGYAJESA-N 0 0 489.984 5.999 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409231145 570177781 /nfs/dbraw/zinc/17/77/81/570177781.db2.gz IFWFMUZCYSQHPK-SRZZPIQSSA-N 0 0 498.753 6.195 40 30 JKEBRN CCOc1c(Br)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409231190 570177792 /nfs/dbraw/zinc/17/77/92/570177792.db2.gz IHAQYEBFWSPPGG-UQACLUTFSA-N 0 0 479.371 5.619 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409231483 570177982 /nfs/dbraw/zinc/17/79/82/570177982.db2.gz JIILZTRFKKOXDS-AGUGBPJKSA-N 0 0 481.621 6.880 40 30 JKEBRN CCOc1cc(Cl)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OCC ZINC000409231875 570178134 /nfs/dbraw/zinc/17/81/34/570178134.db2.gz LHMNSJOZFWOONP-FYCBZXFJSA-N 0 0 460.983 5.770 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409232177 570178299 /nfs/dbraw/zinc/17/82/99/570178299.db2.gz HGQQQBSJXHZZAQ-PCLIKHOPSA-N 0 0 468.553 5.404 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409232314 570178330 /nfs/dbraw/zinc/17/83/30/570178330.db2.gz QAKZTLSQCAWVHA-HIIREOAKSA-N 0 0 483.348 5.308 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409232730 570178481 /nfs/dbraw/zinc/17/84/81/570178481.db2.gz PDFSYNOXEJPRFA-WUDIKGTHSA-N 0 0 489.366 5.233 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409232741 570178482 /nfs/dbraw/zinc/17/84/82/570178482.db2.gz PFMWBEGLXPETSR-KGENOOAVSA-N 0 0 468.531 5.357 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(OC)cc4)N(CC)C3=O)o2)cc1 ZINC000409232629 570178484 /nfs/dbraw/zinc/17/84/84/570178484.db2.gz APIZDIMRDXCUHN-NEWZVLFWSA-N 0 0 476.554 5.756 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 ZINC000409233402 570178654 /nfs/dbraw/zinc/17/86/54/570178654.db2.gz VVVLQHFGICVKET-VCICBFQVSA-N 0 0 477.517 5.937 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409233774 570178777 /nfs/dbraw/zinc/17/87/77/570178777.db2.gz XBUBXZIGCMHVAP-TWDJDDHFSA-N 0 0 464.522 5.765 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409234138 570178915 /nfs/dbraw/zinc/17/89/15/570178915.db2.gz MFEVJGLSXWDUEU-HZHRSRAPSA-N 0 0 474.944 5.753 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000409234367 570179086 /nfs/dbraw/zinc/17/90/86/570179086.db2.gz ZPTUUDTVMKUGEK-LPYMAVHISA-N 0 0 469.393 6.772 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409234673 570179110 /nfs/dbraw/zinc/17/91/10/570179110.db2.gz OVXICBFDIDINIA-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409234634 570179141 /nfs/dbraw/zinc/17/91/41/570179141.db2.gz OFTJGZSWCJYNCU-VDQGFZQOSA-N 0 0 481.042 7.124 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000409234834 570179268 /nfs/dbraw/zinc/17/92/68/570179268.db2.gz MYSJUFFJIJBTIS-LPYMAVHISA-N 0 0 479.945 6.027 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)S1 ZINC000409234975 570179322 /nfs/dbraw/zinc/17/93/22/570179322.db2.gz BOIDHSRJLPCSGD-WGOQTCKBSA-N 0 0 485.008 7.272 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 ZINC000409235192 570179403 /nfs/dbraw/zinc/17/94/03/570179403.db2.gz BJJUJEVVOFDUQZ-YBFXNURJSA-N 0 0 462.880 6.819 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409235384 570179474 /nfs/dbraw/zinc/17/94/74/570179474.db2.gz OXLZPZUOQHDVGB-XQNSMLJCSA-N 0 0 451.588 6.148 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000409235513 570179486 /nfs/dbraw/zinc/17/94/86/570179486.db2.gz BVYIFTSKELSYIC-MFKUBSTISA-N 0 0 472.013 7.101 40 30 JKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409235921 570179627 /nfs/dbraw/zinc/17/96/27/570179627.db2.gz DBRIUFGTNFJODB-QQJZFRHPSA-N 0 0 475.010 6.158 40 30 JKEBRN 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570180123 /nfs/dbraw/zinc/18/01/23/570180123.db2.gz GTRHXNLUOBJVNI-YDZHTSKRSA-N 0 0 450.007 6.564 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Br)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409237082 570180282 /nfs/dbraw/zinc/18/02/82/570180282.db2.gz IOVUXXCDHTXYGT-MVPYSVJISA-N 0 0 498.421 6.620 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409237545 570180492 /nfs/dbraw/zinc/18/04/92/570180492.db2.gz VEVLJHNTWHRUIC-OVUHUNGESA-N 0 0 464.478 5.545 40 30 JKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409238299 570180757 /nfs/dbraw/zinc/18/07/57/570180757.db2.gz WSZGFDHWXPBYPV-JVWAILMASA-N 0 0 462.343 7.569 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000409238203 570180780 /nfs/dbraw/zinc/18/07/80/570180780.db2.gz MARNZTQZUCSZEF-LPYMAVHISA-N 0 0 469.393 6.772 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409238451 570180883 /nfs/dbraw/zinc/18/08/83/570180883.db2.gz ADCVXYZOXCWCMZ-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409238613 570180889 /nfs/dbraw/zinc/18/08/89/570180889.db2.gz KMEOPVDWMWRUMR-PCLIKHOPSA-N 0 0 468.553 5.404 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Br)c1O ZINC000409238773 570181047 /nfs/dbraw/zinc/18/10/47/570181047.db2.gz LDTLLPIPOYFFIW-CXUHLZMHSA-N 0 0 467.772 5.407 40 30 JKEBRN CCOc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000409239518 570181297 /nfs/dbraw/zinc/18/12/97/570181297.db2.gz NOHPAVCTHBNQAJ-LICLKQGHSA-N 0 0 451.773 5.701 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C1=N/c1ccc(F)cc1 ZINC000409239812 570181433 /nfs/dbraw/zinc/18/14/33/570181433.db2.gz QPVNWCSPXPWUEE-WUDIKGTHSA-N 0 0 471.897 6.271 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000409240391 570181626 /nfs/dbraw/zinc/18/16/26/570181626.db2.gz KEOQRWJMTNJFFC-YDZHTSKRSA-N 0 0 459.958 5.991 40 30 JKEBRN CCOc1cc(OCC)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br ZINC000409240228 570181675 /nfs/dbraw/zinc/18/16/75/570181675.db2.gz RYJXMMBJXHOSPC-VXLYETTFSA-N 0 0 495.826 6.100 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)OC)o2)S/C1=N/c1ccc(F)cc1 ZINC000409241006 570181920 /nfs/dbraw/zinc/18/19/20/570181920.db2.gz MUFAXOURBMEJRL-DRMKFXMXSA-N 0 0 450.491 5.496 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)S/C1=N/c1ccc(F)cc1 ZINC000409241482 570182100 /nfs/dbraw/zinc/18/21/00/570182100.db2.gz XUUYIXFMJRLQEJ-CHHVRMKKSA-N 0 0 459.468 6.259 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br ZINC000409241752 570182237 /nfs/dbraw/zinc/18/22/37/570182237.db2.gz UNHIXVYKTADYPX-ZGXHQARYSA-N 0 0 479.827 6.480 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409242424 570182493 /nfs/dbraw/zinc/18/24/93/570182493.db2.gz UVJZQRWOQQOKMM-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409242545 570182579 /nfs/dbraw/zinc/18/25/79/570182579.db2.gz VROMKQVRYHFBLI-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Br)c1OCC ZINC000409243314 570182978 /nfs/dbraw/zinc/18/29/78/570182978.db2.gz XJYDCGPOIJZFSR-KZWMQRDFSA-N 0 0 493.398 6.010 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409244300 570183511 /nfs/dbraw/zinc/18/35/11/570183511.db2.gz AVNIUWPNEXNHEZ-GFIOTEIZSA-N 0 0 467.997 6.819 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N/c1ccc(OC)cc1 ZINC000409244788 570183559 /nfs/dbraw/zinc/18/35/59/570183559.db2.gz ISQLZOZZHPISET-XTJABLFPSA-N 0 0 477.380 5.099 40 30 JKEBRN CC(=O)Nc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1 ZINC000329068018 570183677 /nfs/dbraw/zinc/18/36/77/570183677.db2.gz YMKXVZVJQIRZHE-UHFFFAOYSA-N 0 0 459.472 6.604 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1OCc1ccccc1F ZINC000409245110 570183676 /nfs/dbraw/zinc/18/36/76/570183676.db2.gz NOGDRCGARWPIIU-VOEQRCGISA-N 0 0 494.563 6.566 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OCC ZINC000409245183 570183828 /nfs/dbraw/zinc/18/38/28/570183828.db2.gz OQTMZDDYRJKWRY-AYOPBQDQSA-N 0 0 464.562 5.589 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(OC)cc4)N(CC)C3=O)c2C)cc1 ZINC000409245580 570183930 /nfs/dbraw/zinc/18/39/30/570183930.db2.gz WBXDRZVLLCDLON-QXTIGVTFSA-N 0 0 487.669 7.069 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S/C1=N/c1ccc(F)cc1 ZINC000409245556 570184004 /nfs/dbraw/zinc/18/40/04/570184004.db2.gz VTULVVOHVQJLLU-GBHIVJGHSA-N 0 0 454.611 6.750 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Br ZINC000409245839 570184049 /nfs/dbraw/zinc/18/40/49/570184049.db2.gz ZSKQEIPICVOSNU-VGRWEDHJSA-N 0 0 477.399 6.389 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 ZINC000409246032 570184176 /nfs/dbraw/zinc/18/41/76/570184176.db2.gz CXQABDLJAIIPOK-OEAKJJBVSA-N 0 0 492.000 5.866 40 30 JKEBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409246047 570184220 /nfs/dbraw/zinc/18/42/20/570184220.db2.gz DCWHEGRVCWZKQN-YBFXNURJSA-N 0 0 457.349 5.346 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1Cl ZINC000409246268 570184332 /nfs/dbraw/zinc/18/43/32/570184332.db2.gz ABSJIEXAZYNBSL-LICLKQGHSA-N 0 0 495.771 5.334 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409246937 570184586 /nfs/dbraw/zinc/18/45/86/570184586.db2.gz LJGBLPFIXSKLEP-TZIVZOBOSA-N 0 0 460.397 5.148 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409247460 570184811 /nfs/dbraw/zinc/18/48/11/570184811.db2.gz HLVFZFFIAGRUCJ-JMCHZZBBSA-N 0 0 474.630 5.793 40 30 JKEBRN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C ZINC000334162492 570185011 /nfs/dbraw/zinc/18/50/11/570185011.db2.gz OOLLAFOLCSJHRE-ABCXVOCLSA-N 0 0 475.629 5.543 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409248324 570185034 /nfs/dbraw/zinc/18/50/34/570185034.db2.gz PORDYBJKCPLUQV-XVUPJRCWSA-N 0 0 453.970 6.511 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)OC)ccc3C)o2)S/C1=N/c1ccc(F)cc1 ZINC000409248605 570185051 /nfs/dbraw/zinc/18/50/51/570185051.db2.gz HJNJMDBMLKPYFH-YWIDBZNQSA-N 0 0 464.518 5.805 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409248857 570185162 /nfs/dbraw/zinc/18/51/62/570185162.db2.gz RTDBHYWTZLQWEG-NLRVBDNBSA-N 0 0 487.621 6.992 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409248948 570185172 /nfs/dbraw/zinc/18/51/72/570185172.db2.gz MEYNTFZCYCNKLY-CSBWODFHSA-N 0 0 491.588 5.952 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409249510 570185470 /nfs/dbraw/zinc/18/54/70/570185470.db2.gz UMDQRBLXJPZDAR-FBHDLOMBSA-N 0 0 490.843 7.254 40 30 JKEBRN 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/nfs/dbraw/zinc/19/15/80/570191580.db2.gz YLWYGTPSHOLQGR-RCCKNPSSSA-N 0 0 473.436 6.608 40 30 JKEBRN CCCCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000408541387 570191594 /nfs/dbraw/zinc/19/15/94/570191594.db2.gz ZISWSMLPWBXWNW-HBWSULCGSA-N 0 0 486.637 7.463 40 30 JKEBRN C=CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C1=O ZINC000408541697 570191607 /nfs/dbraw/zinc/19/16/07/570191607.db2.gz HIEGVEBPRXCZEV-ULJHMMPZSA-N 0 0 492.597 5.123 40 30 JKEBRN CCCCCCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000408541302 570191608 /nfs/dbraw/zinc/19/16/08/570191608.db2.gz YZHZNWFIIZFACO-CPNJWEJPSA-N 0 0 483.848 7.498 40 30 JKEBRN CCCCCCOc1c(Br)cc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408541213 570191612 /nfs/dbraw/zinc/19/16/12/570191612.db2.gz FGWWROINBMZSNZ-HMMYKYKNSA-N 0 0 489.435 6.308 40 30 JKEBRN CC[C@@H](C)n1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c2ccccc21 ZINC000409282691 570191665 /nfs/dbraw/zinc/19/16/65/570191665.db2.gz HOZNBOFCWSFYQH-MRXNPFEDSA-N 0 0 465.395 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Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(C)n1-c1ccccc1Cl ZINC000409285657 570192521 /nfs/dbraw/zinc/19/25/21/570192521.db2.gz UOEJRGICYJOHKS-UHFFFAOYSA-N 0 0 497.824 6.226 40 30 JKEBRN CCOc1c(Br)cc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409286732 570192744 /nfs/dbraw/zinc/19/27/44/570192744.db2.gz ZQOADEOKXTUFFN-UHFFFAOYSA-N 0 0 499.590 5.164 40 30 JKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C)cc3Br)c3ccccc32)c1 ZINC000408544997 570192703 /nfs/dbraw/zinc/19/27/03/570192703.db2.gz WRMQIYSLSLPQJA-VYYCAZPPSA-N 0 0 461.359 6.298 40 30 JKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)CC)c2ccccc12 ZINC000409286690 570192738 /nfs/dbraw/zinc/19/27/38/570192738.db2.gz ZKCFPHLTDVWCOT-HNNXBMFYSA-N 0 0 465.395 5.838 40 30 JKEBRN Cc1[nH]c2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409287394 570192867 /nfs/dbraw/zinc/19/28/67/570192867.db2.gz UULNCHXBVYDNDG-UHFFFAOYSA-N 0 0 452.901 6.135 40 30 JKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(OC)c(OC)c2)cc1C(C)C ZINC000409287160 570192871 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490.003 6.438 40 30 JKEBRN Cc1ccc(COc2ccccc2C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1 ZINC000409287909 570193159 /nfs/dbraw/zinc/19/31/59/570193159.db2.gz AOMZZRHFBDDFLJ-UHFFFAOYSA-N 0 0 490.401 6.052 40 30 JKEBRN CC(C)(C)COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409287994 570193163 /nfs/dbraw/zinc/19/31/63/570193163.db2.gz BNEZKSCDDFPRMK-UHFFFAOYSA-N 0 0 485.971 6.770 40 30 JKEBRN Cc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Br)ccc2o1 ZINC000409288337 570193300 /nfs/dbraw/zinc/19/33/00/570193300.db2.gz GHGUJVJNPVVLDL-UHFFFAOYSA-N 0 0 458.315 5.763 40 30 JKEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1OC ZINC000409288627 570193303 /nfs/dbraw/zinc/19/33/03/570193303.db2.gz IINVBISJABKJQG-UHFFFAOYSA-N 0 0 494.334 6.016 40 30 JKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409289018 570193317 /nfs/dbraw/zinc/19/33/17/570193317.db2.gz KLCBMWDUUAGSDW-UHFFFAOYSA-N 0 0 464.491 6.136 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(N2CCCCC2)cc1F 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570195329 /nfs/dbraw/zinc/19/53/29/570195329.db2.gz QBDUVGILEKXMMX-UHFFFAOYSA-N 0 0 490.313 5.169 40 30 JKEBRN C=CCc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc(OC)c1OC ZINC000409296579 570195420 /nfs/dbraw/zinc/19/54/20/570195420.db2.gz UEZWNYKZVRDNMH-UHFFFAOYSA-N 0 0 493.485 5.710 40 30 JKEBRN CC(=O)c1ccc(-c2ccc(C=Nn3c(=O)c4cc(Br)ccc4nc3C(C)(C)C)o2)cc1 ZINC000409296578 570195458 /nfs/dbraw/zinc/19/54/58/570195458.db2.gz ILXSSYHPSZPWLX-UHFFFAOYSA-N 0 0 492.373 5.801 40 30 JKEBRN C#CCOc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)c1 ZINC000409296892 570195592 /nfs/dbraw/zinc/19/55/92/570195592.db2.gz JBTULTYITRWXRX-UHFFFAOYSA-N 0 0 453.885 5.357 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1-c1cc(C)ccn1 ZINC000409296762 570195601 /nfs/dbraw/zinc/19/56/01/570195601.db2.gz RIPCWTRVFZKOAS-UHFFFAOYSA-N 0 0 492.421 5.450 40 30 JKEBRN COc1cc(Cl)c(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000409296722 570195611 /nfs/dbraw/zinc/19/56/11/570195611.db2.gz 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JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC#N)ccc2ccccc21 ZINC000409319124 570200750 /nfs/dbraw/zinc/20/07/50/570200750.db2.gz ALZCCLYFGLVZRH-INIZCTEOSA-N 0 0 489.373 5.610 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(F)c2)o1 ZINC000409318969 570200797 /nfs/dbraw/zinc/20/07/97/570200797.db2.gz ZBZUFVSWTPLULH-AWEZNQCLSA-N 0 0 468.326 5.954 40 30 JKEBRN CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1C ZINC000408561026 570200845 /nfs/dbraw/zinc/20/08/45/570200845.db2.gz VNJXHFHVZCLREE-UHFFFAOYSA-N 0 0 471.696 6.108 40 30 JKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1Cl ZINC000409319295 570200864 /nfs/dbraw/zinc/20/08/64/570200864.db2.gz DAKAWUPNUHOWPO-HUUCEWRRSA-N 0 0 490.829 6.385 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)CC)c(Cl)c1 ZINC000409319433 570200874 /nfs/dbraw/zinc/20/08/74/570200874.db2.gz GBEKOPHCMMNOPN-CQSZACIVSA-N 0 0 476.802 5.824 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000409319505 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ZINC000409323831 570201708 /nfs/dbraw/zinc/20/17/08/570201708.db2.gz PQWBQMLDZWBUBU-MRXNPFEDSA-N 0 0 486.410 5.570 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccc2F)c1C ZINC000409324107 570201712 /nfs/dbraw/zinc/20/17/12/570201712.db2.gz SFURKVHYQPZLFB-UHFFFAOYSA-N 0 0 495.396 5.930 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCC2)cc1F ZINC000409324391 570201796 /nfs/dbraw/zinc/20/17/96/570201796.db2.gz SIKVGVDARUOPCI-HNNXBMFYSA-N 0 0 471.374 5.294 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000409324315 570201798 /nfs/dbraw/zinc/20/17/98/570201798.db2.gz SGASXHZNVHKJHM-UHFFFAOYSA-N 0 0 491.433 6.018 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccccc1 ZINC000409324745 570201835 /nfs/dbraw/zinc/20/18/35/570201835.db2.gz UWNZXOCXYGHEAU-UHFFFAOYSA-N 0 0 476.374 5.573 40 30 JKEBRN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)=C2O)cc(I)c1O ZINC000408562739 570201901 /nfs/dbraw/zinc/20/19/01/570201901.db2.gz BAJBTGMADSJRGL-SFXQBQATSA-N 0 0 482.236 5.296 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(F)cc1 ZINC000409324944 570201917 /nfs/dbraw/zinc/20/19/17/570201917.db2.gz WTTQBCDLEYHQPF-HNNXBMFYSA-N 0 0 467.342 5.485 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccc2CC)c1C ZINC000409325256 570201943 /nfs/dbraw/zinc/20/19/43/570201943.db2.gz XHTCSJFBLSWRCI-UHFFFAOYSA-N 0 0 491.433 5.964 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OC(C)C)ccc2ccccc21 ZINC000409325779 570202062 /nfs/dbraw/zinc/20/20/62/570202062.db2.gz AYTDMARLFCSUDD-KRWDZBQOSA-N 0 0 492.417 6.495 40 30 JKEBRN CC[C@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409325902 570202066 /nfs/dbraw/zinc/20/20/66/570202066.db2.gz COMQFILREUHNST-KRWDZBQOSA-N 0 0 482.422 6.266 40 30 JKEBRN CC(=O)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409326256 570202136 /nfs/dbraw/zinc/20/21/36/570202136.db2.gz JBCHDQNTNKEMFQ-UHFFFAOYSA-N 0 0 468.351 5.014 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C2CCCCC2)c1C ZINC000409326133 570202157 /nfs/dbraw/zinc/20/21/57/570202157.db2.gz HDWKWNRGFGJLDV-UHFFFAOYSA-N 0 0 483.454 6.307 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@H](C)CC)c2ccccc12 ZINC000409325994 570202171 /nfs/dbraw/zinc/20/21/71/570202171.db2.gz FIHYLNWUJZNUHD-MRXNPFEDSA-N 0 0 479.422 6.228 40 30 JKEBRN CC(C)(C)COc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409328016 570202754 /nfs/dbraw/zinc/20/27/54/570202754.db2.gz YDYRAXTYFPHDRI-UHFFFAOYSA-N 0 0 496.449 6.514 40 30 JKEBRN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1Cl ZINC000409328023 570202773 /nfs/dbraw/zinc/20/27/73/570202773.db2.gz PDZBFQLAOTXGRK-RGVLZGJSSA-N 0 0 452.944 5.886 40 30 JKEBRN COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000409328868 570203165 /nfs/dbraw/zinc/20/31/65/570203165.db2.gz BQIAYBQFRHUZAR-ZVHZXABRSA-N 0 0 472.591 5.860 40 30 JKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408565206 570203179 /nfs/dbraw/zinc/20/31/79/570203179.db2.gz BHQQOHIHMXUZOB-NRFANRHFSA-N 0 0 474.970 5.303 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OCC)c1OCC ZINC000409329210 570203324 /nfs/dbraw/zinc/20/33/24/570203324.db2.gz CCGOZHOTPMASDP-MOSHPQCFSA-N 0 0 493.572 6.637 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1ccc(F)cc1 ZINC000408565514 570203354 /nfs/dbraw/zinc/20/33/54/570203354.db2.gz CCVXKOFGEXWFLH-XMMPIXPASA-N 0 0 489.532 5.276 40 30 JKEBRN C#CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408566727 570203866 /nfs/dbraw/zinc/20/38/66/570203866.db2.gz GACZZSZXKUDGFM-LJQANCHMSA-N 0 0 493.372 5.013 40 30 JKEBRN Clc1ccc(COc2ccc(C=NNc3ccccc3)cc2Br)c(Cl)c1 ZINC000408566865 570203897 /nfs/dbraw/zinc/20/38/97/570203897.db2.gz ISTCDYKXPTZOCJ-WYMPLXKRSA-N 0 0 450.163 6.781 40 30 JKEBRN COc1cc(C=NNc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408567528 570204024 /nfs/dbraw/zinc/20/40/24/570204024.db2.gz OJAJUMXVAAMDSK-ZMOGYAJESA-N 0 0 492.744 5.978 40 30 JKEBRN 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C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408573130 570205117 /nfs/dbraw/zinc/20/51/17/570205117.db2.gz SPRULHVVUWMXGC-LJQANCHMSA-N 0 0 478.933 5.052 40 30 JKEBRN C=CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Br ZINC000408574001 570205319 /nfs/dbraw/zinc/20/53/19/570205319.db2.gz UJJWFJDATZGERI-HNNXBMFYSA-N 0 0 480.156 5.666 40 30 JKEBRN C=CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408574068 570205367 /nfs/dbraw/zinc/20/53/67/570205367.db2.gz IJNQCSLKBBNURK-UHFFFAOYSA-N 0 0 491.396 5.392 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3CC)c(OCC)c2)SC1=S ZINC000408574229 570205371 /nfs/dbraw/zinc/20/53/71/570205371.db2.gz LCKSZXWGRZWAOS-JCMHNJIXSA-N 0 0 482.627 5.052 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)SC1=S ZINC000408574235 570205416 /nfs/dbraw/zinc/20/54/16/570205416.db2.gz LDCOCWRRUUWUGI-HMAPJEAMSA-N 0 0 482.627 5.107 40 30 JKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 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COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Oc3c(C)cccc3C)c2C#N)cc1 ZINC000006443486 194426604 /nfs/dbraw/zinc/42/66/04/194426604.db2.gz MCHCCIWQQRJBEB-UHFFFAOYSA-N 0 0 480.589 6.610 40 30 JKEBRN Cc1cc(C=NNc2ccc(C)c(Cl)c2)c(C)n1-c1ccc(I)cc1 ZINC000012600489 195045723 /nfs/dbraw/zinc/04/57/23/195045723.db2.gz JUQDMHYZGTYDKC-FSJBWODESA-N 0 0 463.750 6.107 40 30 JKEBRN CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S/C1=N/c1ccccc1C ZINC000012618253 195055652 /nfs/dbraw/zinc/05/56/52/195055652.db2.gz KTKQQBNWDKENBB-VDZPOYGUSA-N 0 0 475.614 5.535 40 30 JKEBRN S=C(NCCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012622538 195057778 /nfs/dbraw/zinc/05/77/78/195057778.db2.gz OBHYTJNVOOLMBH-RUMWWMSVSA-N 0 0 495.648 5.885 40 30 JKEBRN CC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C(\C)c1ccc(OC)c(OC)c1 ZINC000012660994 195080934 /nfs/dbraw/zinc/08/09/34/195080934.db2.gz ZNUVVONXJKDZTI-AUUZORCYSA-N 0 0 450.391 5.734 40 30 JKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)N1 ZINC000012716849 195097380 /nfs/dbraw/zinc/09/73/80/195097380.db2.gz QAGHOIQQMFDPDB-WXVAWEFUSA-N 0 0 464.631 5.887 40 30 JKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12 ZINC000020762169 195218533 /nfs/dbraw/zinc/21/85/33/195218533.db2.gz OCEFJPZFGQWXNP-JFLMPSFJSA-N 0 0 495.364 5.427 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(I)cc1 ZINC000020762700 195218887 /nfs/dbraw/zinc/21/88/87/195218887.db2.gz MUFQVRSRUWVKBQ-MFKUBSTISA-N 0 0 472.326 5.003 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCc1ccc(F)cc1 ZINC000020763363 195219196 /nfs/dbraw/zinc/21/91/96/195219196.db2.gz OGWDGOXFOPTFFF-MZJWZYIUSA-N 0 0 487.369 5.698 40 30 JKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000020763448 195219620 /nfs/dbraw/zinc/21/96/20/195219620.db2.gz DGUCDQCRKJAVID-STBIYBPSSA-N 0 0 475.386 6.314 40 30 JKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000020763443 195219746 /nfs/dbraw/zinc/21/97/46/195219746.db2.gz QDQDTXDYTAYQFA-OKCVXOCRSA-N 0 0 465.380 6.858 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)o1 ZINC000058826998 195380624 /nfs/dbraw/zinc/38/06/24/195380624.db2.gz ZXRUZMMOMYPTBR-LQNQUEJISA-N 0 0 499.592 6.784 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)cc1[N+](=O)[O-] ZINC000058826779 195380691 /nfs/dbraw/zinc/38/06/91/195380691.db2.gz VQPSAXWRXNJGTD-LQNQUEJISA-N 0 0 499.592 6.784 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000058826597 195380725 /nfs/dbraw/zinc/38/07/25/195380725.db2.gz WDKVSNHLXSKBRL-LQNQUEJISA-N 0 0 470.594 6.480 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)c([N+](=O)[O-])c1 ZINC000058826985 195380823 /nfs/dbraw/zinc/38/08/23/195380823.db2.gz OOVITQUXALFLJV-LQNQUEJISA-N 0 0 499.592 6.784 40 30 JKEBRN O=C1CN(Cc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)N1/N=C/c1cccc(Cl)c1Cl ZINC000058883885 195385972 /nfs/dbraw/zinc/38/59/72/195385972.db2.gz YAQASGXANLBSOE-RQDDCGEVSA-N 0 0 493.221 6.677 40 30 JKEBRN CCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)CN1CCOCC1 ZINC000059102375 195387417 /nfs/dbraw/zinc/38/74/17/195387417.db2.gz WVITYAZSQUQMBO-UHFFFAOYSA-N 0 0 452.768 7.255 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 ZINC000059102823 195387499 /nfs/dbraw/zinc/38/74/99/195387499.db2.gz QUZGSIPJHDETOP-HHHXNRCGSA-N 0 0 495.635 7.334 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 ZINC000059102914 195387694 /nfs/dbraw/zinc/38/76/94/195387694.db2.gz UMPBTSNVVCQKPN-HHHXNRCGSA-N 0 0 493.644 6.900 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3O[C@H](C)CC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104639 195388086 /nfs/dbraw/zinc/38/80/86/195388086.db2.gz RGXXSALXJXEXBN-USFJHHDNSA-N 0 0 484.665 7.797 40 30 JKEBRN C/N=C1/S/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000059104956 195388285 /nfs/dbraw/zinc/38/82/85/195388285.db2.gz NIIAVVDMWPTYDL-MICMYVEHSA-N 0 0 486.218 5.867 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000059104783 195388289 /nfs/dbraw/zinc/38/82/89/195388289.db2.gz QICVQNGDTYIRBY-XOVMAZANSA-N 0 0 491.838 5.942 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000059104752 195388291 /nfs/dbraw/zinc/38/82/91/195388291.db2.gz NRSOQQFOXDIEES-YAMJETJUSA-N 0 0 477.413 5.841 40 30 JKEBRN COc1cccc(/N=C/c2c(C)n(-c3ccc(Br)cc3)c(C)c2Br)c1 ZINC000059104958 195388322 /nfs/dbraw/zinc/38/83/22/195388322.db2.gz BSNTZSDUJJDQFA-FSJBWODESA-N 0 0 462.185 6.378 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3cccc(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104961 195388344 /nfs/dbraw/zinc/38/83/44/195388344.db2.gz WIZQTYDNVVIWQB-NMRWETQTSA-N 0 0 491.454 7.383 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000059105796 195388822 /nfs/dbraw/zinc/38/88/22/195388822.db2.gz SUXSJIFYNUJZNC-LPYMAVHISA-N 0 0 452.482 5.444 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000059106033 195388919 /nfs/dbraw/zinc/38/89/19/195388919.db2.gz PVUGZQAJICZZSP-HYARGMPZSA-N 0 0 482.964 6.348 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc2ccccc2c1 ZINC000059105944 195388983 /nfs/dbraw/zinc/38/89/83/195388983.db2.gz VDPMPKDTSBMJKC-WPWMEQJKSA-N 0 0 498.579 6.848 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000059105974 195389044 /nfs/dbraw/zinc/38/90/44/195389044.db2.gz ZAIMQHHOFGUXED-KEBDBYFISA-N 0 0 460.361 6.432 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137137 195391816 /nfs/dbraw/zinc/39/18/16/195391816.db2.gz MSJTZIAVLQUFRR-SXFDALKKSA-N 0 0 481.596 7.037 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(Br)cc4)NC3=O)o2)cc1 ZINC000059137843 195392057 /nfs/dbraw/zinc/39/20/57/195392057.db2.gz WGEFXIRVEGZFCT-PDGQHHTCSA-N 0 0 471.401 6.393 40 30 JKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3Cl)S2)cc1 ZINC000059145754 195393032 /nfs/dbraw/zinc/39/30/32/195393032.db2.gz HRXCCOXWQZOUTD-XKZIYDEJSA-N 0 0 469.393 6.772 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000059176527 195393586 /nfs/dbraw/zinc/39/35/86/195393586.db2.gz GGVAHIKYFNHNJJ-UHFFFAOYSA-N 0 0 450.608 5.262 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)SC1=S ZINC000059186510 195393936 /nfs/dbraw/zinc/39/39/36/195393936.db2.gz DGJINEGFKMBQRW-VCHYOVAHSA-N 0 0 480.394 5.608 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059193637 195393944 /nfs/dbraw/zinc/39/39/44/195393944.db2.gz KDZOWLMUMAIDRA-JFLMPSFJSA-N 0 0 477.973 6.527 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000059193630 195394036 /nfs/dbraw/zinc/39/40/36/195394036.db2.gz JLGXANLURGLUKO-JVWAILMASA-N 0 0 457.555 6.182 40 30 JKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccccc1Br ZINC000059194484 195394164 /nfs/dbraw/zinc/39/41/64/195394164.db2.gz YVMOIWLNBUVBMA-YDZHTSKRSA-N 0 0 452.333 5.724 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194459 195394207 /nfs/dbraw/zinc/39/42/07/195394207.db2.gz RVDWEDGPPHEOEZ-OGLMXYFKSA-N 0 0 473.598 6.658 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000059194445 195394358 /nfs/dbraw/zinc/39/43/58/195394358.db2.gz APIAAPCECMYXCC-LGJNPRDNSA-N 0 0 486.380 6.667 40 30 JKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)cc1C ZINC000059224045 195395073 /nfs/dbraw/zinc/39/50/73/195395073.db2.gz ACGCTZYEHHRSQA-QFEZKATASA-N 0 0 472.013 6.851 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000059224150 195395080 /nfs/dbraw/zinc/39/50/80/195395080.db2.gz FSPHHRGDKQNEQG-GRSHGNNSSA-N 0 0 474.325 6.362 40 30 JKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1C ZINC000059224035 195395140 /nfs/dbraw/zinc/39/51/40/195395140.db2.gz SKCIIUMSPGRBTG-QFEZKATASA-N 0 0 455.558 6.337 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccccc1 ZINC000059224221 195395188 /nfs/dbraw/zinc/39/51/88/195395188.db2.gz VBLLCXXXPXQLBW-QRVIBDJDSA-N 0 0 464.974 6.128 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1C ZINC000059223911 195395232 /nfs/dbraw/zinc/39/52/32/195395232.db2.gz FSDWBMCHXLBMQT-OEAKJJBVSA-N 0 0 459.527 5.682 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)S1 ZINC000059224315 195395391 /nfs/dbraw/zinc/39/53/91/195395391.db2.gz YOUGYOIJGFCTGH-QQXSKIMKSA-N 0 0 485.008 7.272 40 30 JKEBRN COc1cc(OC)c(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Br ZINC000059224246 195395399 /nfs/dbraw/zinc/39/53/99/195395399.db2.gz AKMMUYSJCVBGNN-IDUWFGFVSA-N 0 0 467.772 5.320 40 30 JKEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)cc1 ZINC000059247819 195395580 /nfs/dbraw/zinc/39/55/80/195395580.db2.gz XBBUJTDWRWRXDT-ZHZULCJRSA-N 0 0 468.376 5.530 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3C)NC2=O)cc(OCC)c1O ZINC000059248758 195395852 /nfs/dbraw/zinc/39/58/52/195395852.db2.gz VYKJFRMVVADMBS-UNOMPAQXSA-N 0 0 473.392 5.482 40 30 JKEBRN Clc1ccc(Sc2oc(/C=N/c3ccc(C4CCCCC4)cc3)cc2Br)cc1 ZINC000059249910 195396178 /nfs/dbraw/zinc/39/61/78/195396178.db2.gz HKQLRJYPNBYXER-CVKSISIWSA-N 0 0 474.851 8.645 40 30 JKEBRN Clc1ccc(COc2ccccc2CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059383430 195398373 /nfs/dbraw/zinc/39/83/73/195398373.db2.gz YTFXNDLWQRJYFZ-ZCTHSVRISA-N 0 0 496.035 8.156 40 30 JKEBRN Clc1ccc(COc2ccccc2CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059387401 195398550 /nfs/dbraw/zinc/39/85/50/195398550.db2.gz JTXFOWAOOAPXMA-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059387394 195398592 /nfs/dbraw/zinc/39/85/92/195398592.db2.gz AKUWOWGGFIQFFT-AFUMVMLFSA-N 0 0 484.002 5.986 40 30 JKEBRN C=CCOc1cccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c1 ZINC000059435475 195401981 /nfs/dbraw/zinc/40/19/81/195401981.db2.gz PICHDSAPECQWHH-GMDQVSJLSA-N 0 0 459.977 5.672 40 30 JKEBRN COC(=O)c1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463795 195403483 /nfs/dbraw/zinc/40/34/83/195403483.db2.gz DTVHFZSGAUGQFN-JFLMPSFJSA-N 0 0 471.538 6.539 40 30 JKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000059474875 195404199 /nfs/dbraw/zinc/40/41/99/195404199.db2.gz JRUALCFZIMQKQH-UHFFFAOYSA-N 0 0 469.625 6.581 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)cc2)cc1 ZINC000059475158 195404408 /nfs/dbraw/zinc/40/44/08/195404408.db2.gz VWIOTPNFSMQNJZ-AJBULDERSA-N 0 0 489.600 7.451 40 30 JKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484308 195405420 /nfs/dbraw/zinc/40/54/20/195405420.db2.gz LHQVUYHRJGGFNM-ZTKZIYFRSA-N 0 0 455.627 7.801 40 30 JKEBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1SCc1ccccc1 ZINC000059489953 195407499 /nfs/dbraw/zinc/40/74/99/195407499.db2.gz FBQLZUXGQXEHCA-RASHHNMQSA-N 0 0 450.568 5.130 40 30 JKEBRN COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500688 195408090 /nfs/dbraw/zinc/40/80/90/195408090.db2.gz PPJMCXMDOZOKAE-LGJNPRDNSA-N 0 0 456.350 7.187 40 30 JKEBRN CCN(CC)c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000059503592 195408266 /nfs/dbraw/zinc/40/82/66/195408266.db2.gz MTZDEXHABXZMBP-OGLMXYFKSA-N 0 0 463.002 7.371 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000059506163 195408641 /nfs/dbraw/zinc/40/86/41/195408641.db2.gz OHQUVXOAYGSEAL-UXTBUNMHSA-N 0 0 473.576 7.223 40 30 JKEBRN COc1cc(C=NNc2ccccc2)cc(I)c1OCc1ccccc1 ZINC000059536203 195409452 /nfs/dbraw/zinc/40/94/52/195409452.db2.gz IIWGBNNHKPJXOE-OEAKJJBVSA-N 0 0 458.299 5.325 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000059566567 195410191 /nfs/dbraw/zinc/41/01/91/195410191.db2.gz QUHIOVPUQJCJKV-BUVRLJJBSA-N 0 0 460.961 5.933 40 30 JKEBRN CCCCCCCCCCCO[C@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000059677237 195411438 /nfs/dbraw/zinc/41/14/38/195411438.db2.gz KSAMZURMFGVNQI-KDDYYSGWSA-N 0 0 494.713 6.779 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720450 195411868 /nfs/dbraw/zinc/41/18/68/195411868.db2.gz FKNOVZSDTLYUGO-GBYSFBBLSA-N 0 0 451.035 7.555 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720531 195411968 /nfs/dbraw/zinc/41/19/68/195411968.db2.gz DVJFEQNGNHQFAN-PYWPZVNCSA-N 0 0 496.032 7.464 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000409051893 195503307 /nfs/dbraw/zinc/50/33/07/195503307.db2.gz ODGAAQPQXNLPCW-UNOMPAQXSA-N 0 0 458.402 5.171 40 30 JKEBRN Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4ccccc4C#N)ccc4ccccc43)C2=O)c1 ZINC000409231566 195507536 /nfs/dbraw/zinc/50/75/36/195507536.db2.gz JXJAQPLYFRAMRF-JVWAILMASA-N 0 0 473.532 5.692 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409231845 195508230 /nfs/dbraw/zinc/50/82/30/195508230.db2.gz MVFQJNNZNXHNDI-RGVLZGJSSA-N 0 0 463.902 5.147 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccccc2Br)cc1Cl)Nc1ccccc1F ZINC000409381795 195512715 /nfs/dbraw/zinc/51/27/15/195512715.db2.gz JRHGGZPIVANJHL-ROTLSHHCSA-N 0 0 461.718 6.010 40 30 JKEBRN C=CCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N\S(=O)(=O)c1ccc(C)cc1 ZINC000096299936 130053688 /nfs/dbraw/zinc/05/36/88/130053688.db2.gz KWKYKCXRDADYPH-RQZHXJHFSA-N 0 0 490.606 5.220 40 30 JKEBRN CCn1c2ccccc2c2cc(/C=N/n3c(C)nc4scc(-c5ccccc5)c4c3=O)ccc21 ZINC000096305848 130055521 /nfs/dbraw/zinc/05/55/21/130055521.db2.gz FMODXZBOTUVDQB-MUFRIFMGSA-N 0 0 462.578 6.443 40 30 JKEBRN O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000102658065 130233529 /nfs/dbraw/zinc/23/35/29/130233529.db2.gz YDZIMWJTRCHKDC-MKCFTUBBSA-N 0 0 457.455 6.257 40 30 JKEBRN COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)N(c2ccccc2)[C@H]2CC(C)(C)CC(=O)[C@@H]21 ZINC000102684803 130236893 /nfs/dbraw/zinc/23/68/93/130236893.db2.gz RGUCLKHGCDFNOL-GCCWUPBUSA-N 0 0 457.614 6.316 40 30 JKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O ZINC000102867959 130341390 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COc1ccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000015188100 523451563 /nfs/dbraw/zinc/45/15/63/523451563.db2.gz KPZZERWHDWXWKG-BLHXJHLBSA-N 0 0 458.605 7.323 40 30 JKEBRN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1OCc1ccccc1 ZINC000009762947 523460745 /nfs/dbraw/zinc/46/07/45/523460745.db2.gz ZVFOCQHJJLUZRF-QFEZKATASA-N 0 0 450.951 5.357 40 30 JKEBRN COc1ccc(/N=C2\S/C(=C\C(=O)Nc3ccccc3Cl)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000035904220 523469100 /nfs/dbraw/zinc/46/91/00/523469100.db2.gz YWAJTZSEDKSOBN-ZXQIJLNISA-N 0 0 493.972 5.647 40 30 JKEBRN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)S2)cc1 ZINC000015229878 523469728 /nfs/dbraw/zinc/46/97/28/523469728.db2.gz YDCLBCLEJJMKGN-HMAPJEAMSA-N 0 0 495.398 5.928 40 30 JKEBRN CN(/N=C/c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)N(C)/N=C/c1ccc(Cl)cc1 ZINC000008616280 523769291 /nfs/dbraw/zinc/76/92/91/523769291.db2.gz XHXDHQIFVMCWGX-DPCVLPDWSA-N 0 0 459.808 6.577 40 30 JKEBRN 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ZINC000083295188 525968144 /nfs/dbraw/zinc/96/81/44/525968144.db2.gz KSTXEOSFOFNOMR-SYAUIGDWSA-N 0 0 496.607 8.128 40 30 JKEBRN Cc1ccc(/N=C(\c2ccccc2)N(c2ccc(C)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033475321 525968171 /nfs/dbraw/zinc/96/81/71/525968171.db2.gz NQNGNSWLJCDMTK-BYYHNAKLSA-N 0 0 485.565 6.185 40 30 JKEBRN Cc1ccc(N=CC=C(Nc2ccc(C)c(Cl)c2)c2ccc(Br)cc2)cc1Cl ZINC000016312804 525972564 /nfs/dbraw/zinc/97/25/64/525972564.db2.gz FVSQSVSAGLPZSJ-NWVFTJPISA-N 0 0 474.229 8.228 40 30 JKEBRN Cc1ccc([N-][NH+]=C2C=CC(=O)C(C=Nc3ccc(O)c(-c4nc5ccccc5o4)c3)=C2)cc1C ZINC000016311871 525972868 /nfs/dbraw/zinc/97/28/68/525972868.db2.gz FLVFFZKLYUWZFA-ALOWENIPSA-N 0 0 462.509 7.689 40 30 JKEBRN Cc1ccc(C(=O)C/C(=C\C(=C2\Cc3ccccc3C2=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291750 526019140 /nfs/dbraw/zinc/01/91/40/526019140.db2.gz CCOIYUCNDDTLGR-NEQQDJKSSA-N 0 0 468.596 7.853 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000016267581 526089110 /nfs/dbraw/zinc/08/91/10/526089110.db2.gz FQBSHPJNSJTVCC-CIAFOILYSA-N 0 0 484.452 7.218 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1C1CCCC1 ZINC000009263268 526089643 /nfs/dbraw/zinc/08/96/43/526089643.db2.gz ZECIPTSNLHMTTO-AJGXWLHTSA-N 0 0 453.696 7.158 40 30 JKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(C(=O)OC(C)C)c1 ZINC000009196665 526094034 /nfs/dbraw/zinc/09/40/34/526094034.db2.gz TYNXAXGMIRJDQW-UVHMKAGCSA-N 0 0 458.389 6.090 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000016282276 526094219 /nfs/dbraw/zinc/09/42/19/526094219.db2.gz PEERJCAJHOPFAH-MTJSOVHGSA-N 0 0 484.394 6.196 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000016268363 526094316 /nfs/dbraw/zinc/09/43/16/526094316.db2.gz MDMWBQCOFOFRHG-IWIPYMOSSA-N 0 0 478.061 7.245 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000009264799 526096054 /nfs/dbraw/zinc/09/60/54/526096054.db2.gz 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554692788 /nfs/dbraw/zinc/69/27/88/554692788.db2.gz QPMCXRGPWXCLTQ-ZMOGYAJESA-N 0 0 476.745 5.647 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000008811930 554692911 /nfs/dbraw/zinc/69/29/11/554692911.db2.gz YGHRHADJUQCWRO-CCVNUDIWSA-N 0 0 454.357 5.966 40 30 JKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000008812010 554693131 /nfs/dbraw/zinc/69/31/31/554693131.db2.gz ARNWZQZCUAOHGX-IPPBACCNSA-N 0 0 456.804 7.082 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820827 554707889 /nfs/dbraw/zinc/70/78/89/554707889.db2.gz ULWMOYIRXOHCDA-NHDPSOOVSA-N 0 0 473.356 6.603 40 30 JKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820825 554707911 /nfs/dbraw/zinc/70/79/11/554707911.db2.gz SJRXNVPUEVPHHB-BKUYFWCQSA-N 0 0 488.918 6.829 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820824 554707940 /nfs/dbraw/zinc/70/79/40/554707940.db2.gz BTBBBXCNFGHGFH-BKUYFWCQSA-N 0 0 499.817 6.573 40 30 JKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008820796 554707943 /nfs/dbraw/zinc/70/79/43/554707943.db2.gz JSEDNWIJFZUJHV-BKUYFWCQSA-N 0 0 488.918 6.829 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820867 554708096 /nfs/dbraw/zinc/70/80/96/554708096.db2.gz ZYGWDEXETQYYQT-OYKKKHCWSA-N 0 0 479.001 6.436 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820868 554708101 /nfs/dbraw/zinc/70/81/01/554708101.db2.gz ONKMQOCCAJFLDK-OYKKKHCWSA-N 0 0 479.001 6.436 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820857 554708112 /nfs/dbraw/zinc/70/81/12/554708112.db2.gz LEZUMIZPAPXUIJ-UCQKPKSFSA-N 0 0 464.974 6.128 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820879 554708119 /nfs/dbraw/zinc/70/81/19/554708119.db2.gz CNZZORLIJJNAAJ-IWIPYMOSSA-N 0 0 479.001 6.518 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820894 554708126 /nfs/dbraw/zinc/70/81/26/554708126.db2.gz XENYRJQTBMTEBQ-UCQKPKSFSA-N 0 0 482.964 6.348 40 30 JKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820989 554708232 /nfs/dbraw/zinc/70/82/32/554708232.db2.gz VCECPKSJYAVNHG-LPYMAVHISA-N 0 0 465.361 7.298 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820985 554708238 /nfs/dbraw/zinc/70/82/38/554708238.db2.gz NNKHBXDAYCFMKR-RQZCQDPDSA-N 0 0 484.191 7.452 40 30 JKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820990 554708243 /nfs/dbraw/zinc/70/82/43/554708243.db2.gz DFWLRJQBNPFCPN-LPYMAVHISA-N 0 0 465.361 7.298 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820916 554708248 /nfs/dbraw/zinc/70/82/48/554708248.db2.gz HADSRFSFVWREJO-UCQKPKSFSA-N 0 0 482.964 6.348 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008820917 554708262 /nfs/dbraw/zinc/70/82/62/554708262.db2.gz NIVGQVXNSXJVNP-UCQKPKSFSA-N 0 0 482.964 6.348 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820949 554708270 /nfs/dbraw/zinc/70/82/70/554708270.db2.gz PNHSQIQJLHQCLR-WOJGMQOQSA-N 0 0 459.752 6.254 40 30 JKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820982 554708298 /nfs/dbraw/zinc/70/82/98/554708298.db2.gz WIVYYIAEJCUUCG-VCHYOVAHSA-N 0 0 483.298 7.164 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821089 554708479 /nfs/dbraw/zinc/70/84/79/554708479.db2.gz POJSFQFEKAFGBO-WOJGMQOQSA-N 0 0 470.304 5.509 40 30 JKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821020 554708492 /nfs/dbraw/zinc/70/84/92/554708492.db2.gz GRNPTEHBIPNBTD-LPYMAVHISA-N 0 0 465.361 7.298 40 30 JKEBRN COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000008821026 554708526 /nfs/dbraw/zinc/70/85/26/554708526.db2.gz VUMDECNMVUVQAN-XDHOZWIPSA-N 0 0 455.333 5.609 40 30 JKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821019 554708528 /nfs/dbraw/zinc/70/85/28/554708528.db2.gz CNRAXZYJDKXSIC-LPYMAVHISA-N 0 0 465.361 7.298 40 30 JKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1 ZINC000008821025 554708532 /nfs/dbraw/zinc/70/85/32/554708532.db2.gz CALSTQHYOPJPFH-PXLXIMEGSA-N 0 0 481.415 6.943 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821043 554708569 /nfs/dbraw/zinc/70/85/69/554708569.db2.gz KYLCHVICNOCOCX-VCHYOVAHSA-N 0 0 477.742 6.393 40 30 JKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821231 554708725 /nfs/dbraw/zinc/70/87/25/554708725.db2.gz QHGLJWVJPKAWIX-LICLKQGHSA-N 0 0 483.298 7.164 40 30 JKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821117 554708731 /nfs/dbraw/zinc/70/87/31/554708731.db2.gz MFKQMZOZXFRIOW-WOJGMQOQSA-N 0 0 459.405 5.765 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821092 554708745 /nfs/dbraw/zinc/70/87/45/554708745.db2.gz ZZFOSCYDORGBMH-VCHYOVAHSA-N 0 0 493.850 6.419 40 30 JKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821090 554708751 /nfs/dbraw/zinc/70/87/51/554708751.db2.gz QMIFKOBPGZEJIL-WOJGMQOQSA-N 0 0 459.405 5.765 40 30 JKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821096 554708756 /nfs/dbraw/zinc/70/87/56/554708756.db2.gz KZYIAPFSAQZUST-LICLKQGHSA-N 0 0 460.298 6.053 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821116 554708761 /nfs/dbraw/zinc/70/87/61/554708761.db2.gz XVIKZZDEZCMGES-WOJGMQOQSA-N 0 0 470.304 5.509 40 30 JKEBRN CCCC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CCCC ZINC000008821666 554710230 /nfs/dbraw/zinc/71/02/30/554710230.db2.gz MDOGYOQUOJOFBS-SOBQFDRLSA-N 0 0 451.419 7.126 40 30 JKEBRN CCCC/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CCCC ZINC000008821663 554710232 /nfs/dbraw/zinc/71/02/32/554710232.db2.gz YLJRUDVIBSRWCC-NMRWETQTSA-N 0 0 487.065 6.800 40 30 JKEBRN CCCC/N=C1\S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1CCCC ZINC000008821661 554710234 /nfs/dbraw/zinc/71/02/34/554710234.db2.gz RAJUKNZUJUZLBI-LSDFYIEESA-N 0 0 457.039 6.792 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000008831559 554722682 /nfs/dbraw/zinc/72/26/82/554722682.db2.gz STOQUGKGXVICGH-LBPRGKRZSA-N 0 0 466.544 5.040 40 30 JKEBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1Cl ZINC000008831554 554722694 /nfs/dbraw/zinc/72/26/94/554722694.db2.gz SXYPTRHHVZWWGZ-GFCCVEGCSA-N 0 0 470.019 6.093 40 30 JKEBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1Cl ZINC000008831555 554722731 /nfs/dbraw/zinc/72/27/31/554722731.db2.gz SXYPTRHHVZWWGZ-LBPRGKRZSA-N 0 0 470.019 6.093 40 30 JKEBRN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000008831564 554722748 /nfs/dbraw/zinc/72/27/48/554722748.db2.gz WFFZYWZOYXCSHK-CYBMUJFWSA-N 0 0 462.040 5.560 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)sc2C1 ZINC000008831581 554722995 /nfs/dbraw/zinc/72/29/95/554722995.db2.gz XGCOOHBAYLNPBT-VQCVXAJWSA-N 0 0 458.052 5.951 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)sc2C1 ZINC000008831580 554723035 /nfs/dbraw/zinc/72/30/35/554723035.db2.gz XGCOOHBAYLNPBT-KDHUCADRSA-N 0 0 458.052 5.951 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2C1 ZINC000008832425 554726596 /nfs/dbraw/zinc/72/65/96/554726596.db2.gz WXDKJPIMNSCQCB-CYBMUJFWSA-N 0 0 473.425 7.590 40 30 JKEBRN COC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000008832882 554728839 /nfs/dbraw/zinc/72/88/39/554728839.db2.gz ZACKDHDMSMNERK-UHFFFAOYSA-N 0 0 494.381 5.408 40 30 JKEBRN N#Cc1c2c(sc1NC(=S)NC(=O)C=Cc1ccc(-c3ccc(Cl)cc3Cl)o1)CCC2 ZINC000008833087 554729565 /nfs/dbraw/zinc/72/95/65/554729565.db2.gz FLSHUHHMCKRCER-RMKNXTFCSA-N 0 0 488.421 6.202 40 30 JKEBRN O=C1c2ccccc2/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C=C1Sc1ccc2ccccc2c1 ZINC000008834312 554731967 /nfs/dbraw/zinc/73/19/67/554731967.db2.gz MNOILAHTQWYFOO-ZZIIXHQDSA-N 0 0 490.005 6.544 40 30 JKEBRN C=CCN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000008837272 554737830 /nfs/dbraw/zinc/73/78/30/554737830.db2.gz VAFWBYSCBKSCKY-OGBYTVIASA-N 0 0 466.581 5.142 40 30 JKEBRN C=CCN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 ZINC000008837271 554737852 /nfs/dbraw/zinc/73/78/52/554737852.db2.gz VAFWBYSCBKSCKY-NSROOHRNSA-N 0 0 466.581 5.142 40 30 JKEBRN C=CCNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000008856296 554752265 /nfs/dbraw/zinc/75/22/65/554752265.db2.gz PAWNNFSTPWGCLL-UHFFFAOYSA-N 0 0 479.576 6.339 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000008892362 554780588 /nfs/dbraw/zinc/78/05/88/554780588.db2.gz YVICCNKTZRYYPY-QFIPXVFZSA-N 0 0 462.889 5.069 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000008896320 554785804 /nfs/dbraw/zinc/78/58/04/554785804.db2.gz FEQBLNBPPHBVML-LLVKDONJSA-N 0 0 490.437 6.438 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000008896466 554786130 /nfs/dbraw/zinc/78/61/30/554786130.db2.gz XIPDZLLOKRQFIS-AWEZNQCLSA-N 0 0 482.074 6.704 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000008896426 554786133 /nfs/dbraw/zinc/78/61/33/554786133.db2.gz BWRQXVVTRBQWPT-FQEVSTJZSA-N 0 0 473.667 6.565 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)sc2C1 ZINC000008896435 554786143 /nfs/dbraw/zinc/78/61/43/554786143.db2.gz BUSRHEPLMDLTCY-KVEVGEHQSA-N 0 0 492.497 6.604 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000008896446 554786149 /nfs/dbraw/zinc/78/61/49/554786149.db2.gz JDPDTUYTXZBVSU-HNNXBMFYSA-N 0 0 498.073 6.811 40 30 JKEBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(F)c1F ZINC000008896482 554786295 /nfs/dbraw/zinc/78/62/95/554786295.db2.gz JCQPTXFVNFUSJF-SECBINFHSA-N 0 0 499.555 5.463 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000008901332 554794398 /nfs/dbraw/zinc/79/43/98/554794398.db2.gz QDOPGKBMDXBARG-XKOZXHHJSA-N 0 0 499.463 7.989 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008916632 554810988 /nfs/dbraw/zinc/81/09/88/554810988.db2.gz BNPLJGBQUAPUSS-MDKLSPHFSA-N 0 0 498.579 5.505 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000009033902 554868112 /nfs/dbraw/zinc/86/81/12/554868112.db2.gz XNZIMRUZBOZIBC-SLDSERKVSA-N 0 0 470.738 7.178 40 30 biogenic JKEBRN COc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)/C(=N/c3ccc(C)cc3)S2)cc1 ZINC000013302556 555373353 /nfs/dbraw/zinc/37/33/53/555373353.db2.gz WIGLZIZFHPXCPR-KNQUJZAFSA-N 0 0 485.531 6.678 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3c(O)ccc4ccccc43)n2)cc1OC ZINC000013305373 555374668 /nfs/dbraw/zinc/37/46/68/555374668.db2.gz ZAEMQCWOBJAQED-UXHLAJHPSA-N 0 0 476.536 6.133 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3[N+](=O)[O-])n2)cc1OC ZINC000013305370 555374713 /nfs/dbraw/zinc/37/47/13/555374713.db2.gz BNCMWMORRKTEQA-WGOQTCKBSA-N 0 0 455.474 5.182 40 30 JKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(N(CC)CC)cc1 ZINC000013306145 555375022 /nfs/dbraw/zinc/37/50/22/555375022.db2.gz HWFOSLCVEGICNR-QDJRPKQISA-N 0 0 450.633 5.693 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2nc(C)sc2c1 ZINC000013306206 555375359 /nfs/dbraw/zinc/37/53/59/555375359.db2.gz KPHSNWTVDIHGBB-JXAXBCJLSA-N 0 0 466.657 6.379 40 30 JKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc2sc(C)nc2c1 ZINC000013306356 555375374 /nfs/dbraw/zinc/37/53/74/555375374.db2.gz CVUGSXIJDYAURQ-YJOHERITSA-N 0 0 468.629 5.607 40 30 JKEBRN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2)cc1 ZINC000013403404 555396253 /nfs/dbraw/zinc/39/62/53/555396253.db2.gz OCUOQHLEODSQTE-XOFWUJAUSA-N 0 0 479.989 5.509 40 30 JKEBRN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C(/C)c3ccc(F)cc3)S2)cc1 ZINC000013423976 555397896 /nfs/dbraw/zinc/39/78/96/555397896.db2.gz QAZMAJFAPFCGGN-KIKHOGTISA-N 0 0 484.597 5.125 40 30 JKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000013424542 555398689 /nfs/dbraw/zinc/39/86/89/555398689.db2.gz VXNSBMIPIBASHN-LQKURTRISA-N 0 0 452.410 7.544 40 30 JKEBRN CCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/c1ccc(C)cc1 ZINC000013475695 555402803 /nfs/dbraw/zinc/40/28/03/555402803.db2.gz GKEUEAMKBQNIOM-IJMZKYFMSA-N 0 0 456.036 6.589 40 30 JKEBRN c1csc(CN2Cc3cc4cc5c(cc4nc3S/C2=N\CCc2ccccc2)OCO5)c1 ZINC000013511168 555483107 /nfs/dbraw/zinc/48/31/07/555483107.db2.gz MPYISYQGBNFZHK-QPLCGJKRSA-N 0 0 459.596 5.732 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013549031 555490817 /nfs/dbraw/zinc/49/08/17/555490817.db2.gz JAGGBRQTZLQKLP-HXNPFYCNSA-N 0 0 467.506 6.663 40 30 JKEBRN Cc1cccc(/N=C2/Sc3nc4c(ccc(C)c4C)cc3CN2CCN2CCOCC2)c1C ZINC000013562150 555496186 /nfs/dbraw/zinc/49/61/86/555496186.db2.gz VLABFHONTMRUJO-BYYHNAKLSA-N 0 0 460.647 5.396 40 30 JKEBRN CCc1ccccc1/N=C1/Sc2nc3c(ccc(C)c3C)cc2CN1CCN1CCOCC1 ZINC000013562153 555496238 /nfs/dbraw/zinc/49/62/38/555496238.db2.gz SUGFCCDAJXWZAD-BYYHNAKLSA-N 0 0 460.647 5.342 40 30 JKEBRN Cc1cc(N=NC(C)c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1 ZINC000013563086 555498068 /nfs/dbraw/zinc/49/80/68/555498068.db2.gz MYWMIVRYYJKGSC-ZMOGYAJESA-N 0 0 460.173 5.813 40 30 JKEBRN Cc1cc(N=NCc2cc(Br)ccc2O)nc(-c2ccc(Br)cc2)n1 ZINC000013563082 555498143 /nfs/dbraw/zinc/49/81/43/555498143.db2.gz VXPXPEPOZLQDDA-UFFVCSGVSA-N 0 0 462.145 5.129 40 30 JKEBRN N=C(NOC(=O)Nc1ccc(Cl)cc1)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013563478 555498348 /nfs/dbraw/zinc/49/83/48/555498348.db2.gz AMKJAZIOKPMHKO-UHFFFAOYSA-N 0 0 459.289 5.473 40 30 JKEBRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CCCCC1)/C(=N/c1ccccc1)S3 ZINC000013566143 555503269 /nfs/dbraw/zinc/50/32/69/555503269.db2.gz HWLNGVQCFRNWOL-YCNYHXFESA-N 0 0 495.696 7.646 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2F)n1 ZINC000013567203 555504179 /nfs/dbraw/zinc/50/41/79/555504179.db2.gz ZHZMUWOYSVLTJJ-SSOJOUAXSA-N 0 0 457.505 5.122 40 30 JKEBRN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccco1)C2 ZINC000013567186 555504207 /nfs/dbraw/zinc/50/42/07/555504207.db2.gz ZLCITBUWGCURJY-QYBDOPJKSA-N 0 0 469.541 5.074 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccc(F)c2)nc1 ZINC000013567217 555504230 /nfs/dbraw/zinc/50/42/30/555504230.db2.gz XRTMECWNIUCASO-IQGLISFBSA-N 0 0 457.505 5.122 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567815 555505455 /nfs/dbraw/zinc/50/54/55/555505455.db2.gz DZXGWPIUVABTQM-SFHVURJKSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC ZINC000013567887 555505756 /nfs/dbraw/zinc/50/57/56/555505756.db2.gz VNSILNXJUDBLTO-HNNXBMFYSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)cc1OC ZINC000013567947 555505980 /nfs/dbraw/zinc/50/59/80/555505980.db2.gz JOLBOTZSGFHKBL-KRWDZBQOSA-N 0 0 455.938 5.202 40 30 JKEBRN Cc1ccc2nc(-c3ccc(N=CC4=CC(=[NH+][N-]c5ccc(Cl)cc5)C=CC4=O)cc3)sc2c1 ZINC000013574333 555512757 /nfs/dbraw/zinc/51/27/57/555512757.db2.gz KEFSOZDLUNUZCN-ALOWENIPSA-N 0 0 482.996 8.797 40 30 JKEBRN CN(C)c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855641 555512997 /nfs/dbraw/zinc/51/29/97/555512997.db2.gz HRUOTQCITDIMHO-XHLNEMQHSA-N 0 0 469.610 5.899 40 30 JKEBRN COc1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855651 555513132 /nfs/dbraw/zinc/51/31/32/555513132.db2.gz YRIKKZMDKFXHMK-VFCFBJKWSA-N 0 0 456.567 5.841 40 30 JKEBRN Cc1ncc(COC(=O)c2ccccc2)c(/C=N/OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 ZINC000019898874 555534859 /nfs/dbraw/zinc/53/48/59/555534859.db2.gz PXCIFLMRKUKLLO-FDAWAROLSA-N 0 0 494.503 5.157 40 30 JKEBRN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)cc1 ZINC000019904443 555536171 /nfs/dbraw/zinc/53/61/71/555536171.db2.gz XLLACHCNVFOXIT-COYUYZSTSA-N 0 0 491.584 5.113 40 30 JKEBRN COc1ccc(/N=C(/Sc2nc3ccccc3s2)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000013633990 555543591 /nfs/dbraw/zinc/54/35/91/555543591.db2.gz GVGYTFBTJODSRJ-LSDHQDQOSA-N 0 0 466.500 5.992 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000013635227 555544652 /nfs/dbraw/zinc/54/46/52/555544652.db2.gz HEVNDYCKXKXFJW-HAHDFKILSA-N 0 0 464.974 6.209 40 30 JKEBRN Clc1ccc(CN/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 ZINC000009879482 555562189 /nfs/dbraw/zinc/56/21/89/555562189.db2.gz GIVVUOHQHKUYLD-MZJWZYIUSA-N 0 0 452.783 6.229 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000009973294 555573951 /nfs/dbraw/zinc/57/39/51/555573951.db2.gz DVNFZSPGMMZBRC-UHFFFAOYSA-N 0 0 483.745 6.153 40 30 JKEBRN CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OCC)c1OCC ZINC000010039397 555604683 /nfs/dbraw/zinc/60/46/83/555604683.db2.gz ZRFNOBQMTSIIMC-CQSZACIVSA-N 0 0 487.647 5.067 40 30 JKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000010118745 555629196 /nfs/dbraw/zinc/62/91/96/555629196.db2.gz MZNFTTYNBMQWNC-UVHMKAGCSA-N 0 0 494.216 6.467 40 30 JKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000010119003 555629198 /nfs/dbraw/zinc/62/91/98/555629198.db2.gz AJWHSWWTLWEEOW-KKMKTNMSSA-N 0 0 454.184 7.003 40 30 JKEBRN Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(I)cc2)cc1 ZINC000010118990 555629232 /nfs/dbraw/zinc/62/92/32/555629232.db2.gz XBTRAOIWUJEMBZ-AFUMVMLFSA-N 0 0 476.745 5.647 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C#N)c1 ZINC000010119126 555629567 /nfs/dbraw/zinc/62/95/67/555629567.db2.gz TYYYLRODQPWWMD-WKULSOCRSA-N 0 0 498.808 6.076 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000010119095 555629578 /nfs/dbraw/zinc/62/95/78/555629578.db2.gz DZQVYLRAEJLYMF-VFLNYLIXSA-N 0 0 498.237 7.402 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000010119099 555629584 /nfs/dbraw/zinc/62/95/84/555629584.db2.gz FACVEMWLCFKFHX-CCVNUDIWSA-N 0 0 463.792 6.748 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000010119122 555629586 /nfs/dbraw/zinc/62/95/86/555629586.db2.gz HKJZWDFIJGIPJR-CCVNUDIWSA-N 0 0 491.788 6.343 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000013842024 555631546 /nfs/dbraw/zinc/63/15/46/555631546.db2.gz KQQOCDZLKQTEEY-UHFFFAOYSA-N 0 0 464.978 5.581 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000013842928 555631972 /nfs/dbraw/zinc/63/19/72/555631972.db2.gz VPHBGNZFAFETRL-UHFFFAOYSA-N 0 0 456.999 5.551 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000013842959 555632001 /nfs/dbraw/zinc/63/20/01/555632001.db2.gz KJIOAQJSCFZWJJ-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000013842963 555632005 /nfs/dbraw/zinc/63/20/05/555632005.db2.gz LSIBIHDNDBGJRB-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000013842922 555632036 /nfs/dbraw/zinc/63/20/36/555632036.db2.gz TVHXBFIZQMWPSE-UHFFFAOYSA-N 0 0 456.999 5.551 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000013842971 555632413 /nfs/dbraw/zinc/63/24/13/555632413.db2.gz HWVHWPWUMONQEI-UHFFFAOYSA-N 0 0 450.608 5.460 40 30 JKEBRN N#Cc1c(N)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c1-c1cccs1 ZINC000020101700 555634096 /nfs/dbraw/zinc/63/40/96/555634096.db2.gz ANPXYQCRTHBHIT-UHFFFAOYSA-N 0 0 455.362 5.054 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850514 555634511 /nfs/dbraw/zinc/63/45/11/555634511.db2.gz XHHJCKFMDBIZAF-AWEZNQCLSA-N 0 0 463.390 5.642 40 30 JKEBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 ZINC000013871248 555637295 /nfs/dbraw/zinc/63/72/95/555637295.db2.gz INEGWYDZZRRKAE-HNNXBMFYSA-N 0 0 481.647 5.060 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013879687 555638293 /nfs/dbraw/zinc/63/82/93/555638293.db2.gz MBSZXIDYVODUTP-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000013915314 555646984 /nfs/dbraw/zinc/64/69/84/555646984.db2.gz XVQXPOHSSVERBZ-HXUWFJFHSA-N 0 0 499.847 6.006 40 30 JKEBRN CC(=NNc1nnc(SCC(=O)Nc2cccc3ccccc32)[nH]1)c1ccc(Br)cc1 ZINC000020159919 555676927 /nfs/dbraw/zinc/67/69/27/555676927.db2.gz HJFDKMNIFFEOHW-VULFUBBASA-N 0 0 495.406 5.287 40 30 JKEBRN COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]2)c1 ZINC000020159901 555677106 /nfs/dbraw/zinc/67/71/06/555677106.db2.gz IYRLFRSTMVWJOK-LUOAPIJWSA-N 0 0 498.918 5.052 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 ZINC000014069497 555678004 /nfs/dbraw/zinc/67/80/04/555678004.db2.gz PSTKEXYNIRYULB-UHFFFAOYSA-N 0 0 468.007 5.639 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1ccncc1 ZINC000014110492 555690129 /nfs/dbraw/zinc/69/01/29/555690129.db2.gz VBGBJJMYQVDYSK-MRXNPFEDSA-N 0 0 480.663 5.175 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)nnc1-c1ccncc1 ZINC000014110562 555690459 /nfs/dbraw/zinc/69/04/59/555690459.db2.gz LFBHAMPKBMKRRS-QGZVFWFLSA-N 0 0 494.690 5.565 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014117816 555693011 /nfs/dbraw/zinc/69/30/11/555693011.db2.gz FKQMHAXXTGQEKP-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014117865 555693035 /nfs/dbraw/zinc/69/30/35/555693035.db2.gz LEDVBEOEVFKAPT-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000014118016 555693298 /nfs/dbraw/zinc/69/32/98/555693298.db2.gz FHGVICJMMWKUEE-UHFFFAOYSA-N 0 0 460.962 5.183 40 30 JKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1OC ZINC000020196116 555695846 /nfs/dbraw/zinc/69/58/46/555695846.db2.gz UZAYBKQOFHIJCJ-VULFUBBASA-N 0 0 456.384 5.306 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1 ZINC000020196506 555695889 /nfs/dbraw/zinc/69/58/89/555695889.db2.gz HPCVHCPUCQJINS-LQKURTRISA-N 0 0 454.954 5.459 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)cc1OC ZINC000020196588 555696074 /nfs/dbraw/zinc/69/60/74/555696074.db2.gz MBSZEVUHCDZERZ-OCSSWDANSA-N 0 0 460.961 6.213 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc32)cc1OC ZINC000020196592 555696102 /nfs/dbraw/zinc/69/61/02/555696102.db2.gz WYIWQBSCPFWNHJ-WCMJOSRZSA-N 0 0 495.406 6.867 40 30 JKEBRN COc1ccc(CN/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1OC ZINC000020196600 555696134 /nfs/dbraw/zinc/69/61/34/555696134.db2.gz VGFCCIONWWVHIU-STBIYBPSSA-N 0 0 471.513 5.468 40 30 JKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1OC ZINC000020196642 555696157 /nfs/dbraw/zinc/69/61/57/555696157.db2.gz BYRBVFMPKKUHOP-LQKURTRISA-N 0 0 458.518 5.047 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc(C#N)c1 ZINC000020196531 555696208 /nfs/dbraw/zinc/69/62/08/555696208.db2.gz MNNZDSRSOOKAIR-OKCVXOCRSA-N 0 0 479.964 5.330 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014126716 555697042 /nfs/dbraw/zinc/69/70/42/555697042.db2.gz LUPCCRYLJZMUAL-UHFFFAOYSA-N 0 0 491.642 5.514 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014126783 555697060 /nfs/dbraw/zinc/69/70/60/555697060.db2.gz VDLHWNXDCHODMF-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014126811 555697065 /nfs/dbraw/zinc/69/70/65/555697065.db2.gz ZAZUJXQQLQXMEV-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000014126748 555697069 /nfs/dbraw/zinc/69/70/69/555697069.db2.gz XJZRDJLRGLPFAP-UHFFFAOYSA-N 0 0 493.658 5.203 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014126787 555697074 /nfs/dbraw/zinc/69/70/74/555697074.db2.gz FMMDMCGVNUBTLX-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014126781 555697135 /nfs/dbraw/zinc/69/71/35/555697135.db2.gz LXBWQZHWNDECST-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000014133322 555701165 /nfs/dbraw/zinc/70/11/65/555701165.db2.gz DIMHRQBQQRMLSS-UHFFFAOYSA-N 0 0 491.642 5.514 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014133314 555701217 /nfs/dbraw/zinc/70/12/17/555701217.db2.gz LECJOSWZBPXPDB-UHFFFAOYSA-N 0 0 496.942 5.755 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014133335 555701249 /nfs/dbraw/zinc/70/12/49/555701249.db2.gz QJQBNIFJBHKFDN-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000014133363 555701523 /nfs/dbraw/zinc/70/15/23/555701523.db2.gz TUMPKRPJHIZYHH-QVIHXGFCSA-N 0 0 498.612 6.498 40 30 JKEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000014133373 555701574 /nfs/dbraw/zinc/70/15/74/555701574.db2.gz PLYZVWRXZQUCPJ-UHFFFAOYSA-N 0 0 450.608 5.207 40 30 JKEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014133371 555701594 /nfs/dbraw/zinc/70/15/94/555701594.db2.gz PYKNIKJAGYZLMV-UHFFFAOYSA-N 0 0 456.999 5.298 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000014133457 555701781 /nfs/dbraw/zinc/70/17/81/555701781.db2.gz HKNZZVUTCUKABT-UHFFFAOYSA-N 0 0 493.658 5.203 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014133428 555701897 /nfs/dbraw/zinc/70/18/97/555701897.db2.gz IVGLFNKIYOJLNF-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133823 555702069 /nfs/dbraw/zinc/70/20/69/555702069.db2.gz LOJQYCYOCWEXPW-JOCHJYFZSA-N 0 0 498.052 5.284 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133828 555702097 /nfs/dbraw/zinc/70/20/97/555702097.db2.gz SNCOQQZZKQXRRW-QFIPXVFZSA-N 0 0 498.052 5.284 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000014133826 555702146 /nfs/dbraw/zinc/70/21/46/555702146.db2.gz IBJLIXZLKUCNTD-QFIPXVFZSA-N 0 0 498.052 5.284 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000014134207 555702422 /nfs/dbraw/zinc/70/24/22/555702422.db2.gz ZERVAEXLWHPKSK-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000014134215 555702535 /nfs/dbraw/zinc/70/25/35/555702535.db2.gz FMXOYXGRHGGHIF-UHFFFAOYSA-N 0 0 471.026 5.859 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1CC ZINC000014134236 555702779 /nfs/dbraw/zinc/70/27/79/555702779.db2.gz MUZVTLOAHSDXNV-UHFFFAOYSA-N 0 0 464.635 5.768 40 30 JKEBRN COc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163709 555717143 /nfs/dbraw/zinc/71/71/43/555717143.db2.gz HNVOVOJWXHDDJT-DLUDVSRJSA-N 0 0 463.965 5.797 40 30 JKEBRN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000014165018 555718092 /nfs/dbraw/zinc/71/80/92/555718092.db2.gz SICUEJJHAGLBSQ-SPLOXXLWSA-N 0 0 454.452 5.144 40 30 JKEBRN N#Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2 ZINC000014269960 555760648 /nfs/dbraw/zinc/76/06/48/555760648.db2.gz PPBWWOVLGBAJTE-UHFFFAOYSA-N 0 0 462.383 5.802 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000014271497 555766440 /nfs/dbraw/zinc/76/64/40/555766440.db2.gz HDWADXSHZPNEEE-LBPRGKRZSA-N 0 0 466.459 6.204 40 30 JKEBRN CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000014271512 555766673 /nfs/dbraw/zinc/76/66/73/555766673.db2.gz HAKAVFAVWUEFNR-QGZVFWFLSA-N 0 0 469.676 6.076 40 30 JKEBRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014271530 555766723 /nfs/dbraw/zinc/76/67/23/555766723.db2.gz DDRSHXKETPMINK-KRWDZBQOSA-N 0 0 453.677 6.195 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000014273278 555772682 /nfs/dbraw/zinc/77/26/82/555772682.db2.gz REJJZZFFMJILOJ-CYBMUJFWSA-N 0 0 473.425 7.590 40 30 JKEBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1Cl ZINC000014273263 555772700 /nfs/dbraw/zinc/77/27/00/555772700.db2.gz ZOKLAFJRERTIAM-SECBINFHSA-N 0 0 457.810 6.339 40 30 JKEBRN COC(=O)c1sc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C#N)c1C ZINC000014273244 555772746 /nfs/dbraw/zinc/77/27/46/555772746.db2.gz AGAANXUADAZLLL-UHFFFAOYSA-N 0 0 461.754 5.309 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000014273258 555772750 /nfs/dbraw/zinc/77/27/50/555772750.db2.gz KYBFQOMQVAFQSR-NEXMIYJRSA-N 0 0 457.382 6.963 40 30 JKEBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000014279068 555790202 /nfs/dbraw/zinc/79/02/02/555790202.db2.gz YUHOHSQGWMEQDQ-VOTSOKGWSA-N 0 0 496.224 5.684 40 30 JKEBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000014279066 555790263 /nfs/dbraw/zinc/79/02/63/555790263.db2.gz CTTFCSORXNLIPK-AATRIKPKSA-N 0 0 482.197 5.294 40 30 JKEBRN N#Cc1c2c(sc1N1C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000011666626 555797245 /nfs/dbraw/zinc/79/72/45/555797245.db2.gz HZEMEAFFKBPSFH-VABKMULXSA-N 0 0 489.984 5.203 40 30 JKEBRN COc1ccc(-c2nc(/N=C\c3ccc(OC)c(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014406269 555808305 /nfs/dbraw/zinc/80/83/05/555808305.db2.gz RKRALYHKQDVSCL-YSMPRRRNSA-N 0 0 475.526 6.162 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000014407963 555808935 /nfs/dbraw/zinc/80/89/35/555808935.db2.gz WIDPJBQTVRWZSF-OURKCWMUSA-N 0 0 498.582 5.800 40 30 JKEBRN CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c(OC(C)C)c1 ZINC000014408052 555808954 /nfs/dbraw/zinc/80/89/54/555808954.db2.gz ZSMXQFOMGUZSRL-BPIROQNLSA-N 0 0 494.591 5.487 40 30 JKEBRN Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)cc1 ZINC000014408397 555809116 /nfs/dbraw/zinc/80/91/16/555809116.db2.gz VHRYBTOSADFXHQ-ITHFGJKNSA-N 0 0 498.582 5.800 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2Br)cc1 ZINC000014408446 555809147 /nfs/dbraw/zinc/80/91/47/555809147.db2.gz KTWVPTCBDPHAIE-FSJBWODESA-N 0 0 483.347 5.992 40 30 JKEBRN C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408255 555809158 /nfs/dbraw/zinc/80/91/58/555809158.db2.gz JSLGQGBXFOMFGA-XAOGQPDYSA-N 0 0 471.560 5.362 40 30 JKEBRN C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408346 555809188 /nfs/dbraw/zinc/80/91/88/555809188.db2.gz NEZLSMGYYMDGBN-JUXURWKPSA-N 0 0 457.533 5.053 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408495 555809569 /nfs/dbraw/zinc/80/95/69/555809569.db2.gz BOLIEASMNNSQLC-KBVAKVRCSA-N 0 0 493.906 8.057 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1oc(C)c(C)c1C#N ZINC000014408492 555809592 /nfs/dbraw/zinc/80/95/92/555809592.db2.gz CSYABTDOYMKQNW-FABQOPTDSA-N 0 0 484.559 7.725 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc([C@H]3Sc4ccccc4NC4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000014671931 555838145 /nfs/dbraw/zinc/83/81/45/555838145.db2.gz IJEYNKDWGMIDFW-HHHXNRCGSA-N 0 0 469.606 7.116 40 30 JKEBRN CC(C)(c1ccccc1)c1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 ZINC000015321296 555898496 /nfs/dbraw/zinc/89/84/96/555898496.db2.gz JTZUWCADJYKDHL-UHFFFAOYSA-N 0 0 455.521 6.282 40 30 JKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022529852 555931478 /nfs/dbraw/zinc/93/14/78/555931478.db2.gz TUXCBATVYKNSCG-HFJWLAOPSA-N 0 0 450.498 5.669 40 30 JKEBRN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000022574782 555938328 /nfs/dbraw/zinc/93/83/28/555938328.db2.gz RETBGBJPRNMJKG-CRYYWNKWSA-N 0 0 464.956 6.587 40 30 JKEBRN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000022574768 555938402 /nfs/dbraw/zinc/93/84/02/555938402.db2.gz RETBGBJPRNMJKG-XGCWNURASA-N 0 0 464.956 6.587 40 30 JKEBRN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000012197245 555942354 /nfs/dbraw/zinc/94/23/54/555942354.db2.gz OBBOUDFGWYNATP-UFWORHAWSA-N 0 0 453.159 5.487 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1OC ZINC000022708479 555945121 /nfs/dbraw/zinc/94/51/21/555945121.db2.gz PZPOKGUPSJIURG-JMENAVADSA-N 0 0 472.610 6.249 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000022711028 555945685 /nfs/dbraw/zinc/94/56/85/555945685.db2.gz WYPFKSVPRSWHNN-VBKZILBWSA-N 0 0 474.870 5.375 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000022711038 555945753 /nfs/dbraw/zinc/94/57/53/555945753.db2.gz WYPFKSVPRSWHNN-VLIAUNLRSA-N 0 0 474.870 5.375 40 30 JKEBRN COc1ccc(C2C3=C(C[C@H](c4ccccc4)CC3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000022711816 555945911 /nfs/dbraw/zinc/94/59/11/555945911.db2.gz VWUYLHBEOBHNMV-ZEQRLZLVSA-N 0 0 475.588 6.184 40 30 JKEBRN N#Cc1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022742217 555949571 /nfs/dbraw/zinc/94/95/71/555949571.db2.gz JQUYARLPSPEMML-UHFFFAOYSA-N 0 0 484.669 5.071 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)ccc4O)cc3)nc2c1 ZINC000022754385 555953350 /nfs/dbraw/zinc/95/33/50/555953350.db2.gz LKCDGWNEYKBOMA-DQKNBXDWSA-N 0 0 495.022 8.709 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)ccc4O)cc3)nc2c1 ZINC000022754381 555953403 /nfs/dbraw/zinc/95/34/03/555953403.db2.gz LKCDGWNEYKBOMA-ZBNAGYFTSA-N 0 0 495.022 8.709 40 30 JKEBRN CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000022755930 555954068 /nfs/dbraw/zinc/95/40/68/555954068.db2.gz MKOMSAVKRQJRPL-CVKSISIWSA-N 0 0 496.430 5.719 40 30 JKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000022758223 555954809 /nfs/dbraw/zinc/95/48/09/555954809.db2.gz ZVBTYDWWGNFMPB-NRUKRWIHSA-N 0 0 497.598 7.553 40 30 JKEBRN COc1cccc([C@@H]2[C@@H](c3ccc(OC)c(F)c3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c1 ZINC000012371605 555961887 /nfs/dbraw/zinc/96/18/87/555961887.db2.gz DHTGEGCGXXDDMU-ZONZVBGPSA-N 0 0 451.501 5.743 40 30 JKEBRN COc1ccc(-c2nsc3c2ncnc3SCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000012475856 555983416 /nfs/dbraw/zinc/98/34/16/555983416.db2.gz XPADWEMLUFPGBA-UHFFFAOYSA-N 0 0 467.601 5.043 40 30 JKEBRN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1cnc(N=NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000012555124 556040118 /nfs/dbraw/zinc/04/01/18/556040118.db2.gz BCLCKZULPXIMLU-LIMNOBDPSA-N 0 0 461.286 5.578 40 30 JKEBRN Cc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)c(C)n1-c1ccc(Br)cc1 ZINC000012559292 556049640 /nfs/dbraw/zinc/04/96/40/556049640.db2.gz VNMAWDDZHRHHFK-BRJLIKDPSA-N 0 0 469.383 6.565 40 30 JKEBRN Clc1ccc2c(c1)nccc2NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012564760 556061143 /nfs/dbraw/zinc/06/11/43/556061143.db2.gz HFRRGQFHGHWAGY-HNSNBQBZSA-N 0 0 493.994 7.492 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3Cl)c2c1 ZINC000015920331 556068187 /nfs/dbraw/zinc/06/81/87/556068187.db2.gz FDQDNRFJICSDDT-QHCPKHFHSA-N 0 0 476.916 5.244 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccco3)c2c1 ZINC000015920448 556068846 /nfs/dbraw/zinc/06/88/46/556068846.db2.gz PHEFLGBOWQRDNR-HSZRJFAPSA-N 0 0 476.916 5.244 40 30 JKEBRN CCc1cccc2c(C(=O)[C@H](OC(=O)CO/N=C/c3ccc(OC)cc3)c3ccccc3)c[nH]c21 ZINC000012588154 556084959 /nfs/dbraw/zinc/08/49/59/556084959.db2.gz VEXOYIQUNGCBMN-DAVRIHBFSA-N 0 0 470.525 5.257 40 30 JKEBRN C=C(C)[C@@H]1CCC=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]21 ZINC000012864834 556120289 /nfs/dbraw/zinc/12/02/89/556120289.db2.gz GPGLZMVBKWLKIY-XRSMVZCYSA-N 0 0 466.750 8.516 40 30 JKEBRN COc1ccc(Nc2sc3c(nc(N)c(C#N)c3-c3ccccc3)c2C(=O)Oc2ccccc2)cc1 ZINC000016217176 556129819 /nfs/dbraw/zinc/12/98/19/556129819.db2.gz ADJCDIAHMVWZFG-UHFFFAOYSA-N 0 0 492.560 6.389 40 30 JKEBRN O=[N+]([O-])c1ccc(C=Nc2ccc(-c3nc4cc(N=Cc5ccc([N+](=O)[O-])cc5)ccc4[nH]3)cc2)cc1 ZINC000016400407 556137838 /nfs/dbraw/zinc/13/78/38/556137838.db2.gz DDZWTDOIQUXYOB-LPHFKDDMSA-N 0 0 490.479 6.548 40 30 JKEBRN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1Cl)CCN(Cc1ccccc1)C2 ZINC000016479896 556140320 /nfs/dbraw/zinc/14/03/20/556140320.db2.gz AYQRTBHBKITBRR-UHFFFAOYSA-N 0 0 483.424 5.549 40 30 JKEBRN c1c2ccccc2n(C[C@@H](CN(c2ccccc2)c2ccccc2)OC[C@H]2CO2)c1-c1ccccc1 ZINC000016492863 556141508 /nfs/dbraw/zinc/14/15/08/556141508.db2.gz RAXSXZWSSVQMFN-IHLOFXLRSA-N 0 0 474.604 6.931 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000016662975 556149663 /nfs/dbraw/zinc/14/96/63/556149663.db2.gz CIAJZPKGMOJGIH-MZJWZYIUSA-N 0 0 477.973 6.446 40 30 JKEBRN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000016768482 556158750 /nfs/dbraw/zinc/15/87/50/556158750.db2.gz UISHBKWJEUOTNA-OBGWFSINSA-N 0 0 490.607 6.027 40 30 JKEBRN N#C[C@](Cc1ccc(C[C@@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1 ZINC000012952468 556160777 /nfs/dbraw/zinc/16/07/77/556160777.db2.gz SPAPFXIWIAYYAT-KKLWWLSJSA-N 0 0 490.610 6.581 40 30 JKEBRN Cc1ccc(S(=O)(=O)N/N=C(C(=N/OCc2ccccc2)/c2ccccc2)\c2ccccc2)cc1 ZINC000016928573 556180681 /nfs/dbraw/zinc/18/06/81/556180681.db2.gz RGPIBBFCGHGGNO-QAVVBOBSSA-N 0 0 483.593 5.299 40 30 JKEBRN C=CCn1c2ccccc2nc1-c1ccc(/C=C/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000016982755 556195246 /nfs/dbraw/zinc/19/52/46/556195246.db2.gz XUANEUGIBQGMFI-VAWYXSNFSA-N 0 0 452.561 7.603 40 30 JKEBRN COc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000025395103 556212967 /nfs/dbraw/zinc/21/29/67/556212967.db2.gz GHYJLLNTTCIMAZ-DHRITJCHSA-N 0 0 479.385 5.833 40 30 JKEBRN CC1(C)N(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C\c1ccccc1 ZINC000017140158 556224830 /nfs/dbraw/zinc/22/48/30/556224830.db2.gz DZBDYRFRJAFQSJ-FBHHORCSSA-N 0 0 458.609 6.891 40 30 JKEBRN COc1ccc(-c2oc(/C=N/c3ccccc3)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC ZINC000017211449 556241786 /nfs/dbraw/zinc/24/17/86/556241786.db2.gz HNAYZJPMQRYDPB-LQKURTRISA-N 0 0 488.496 6.307 40 30 JKEBRN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000026456467 556254043 /nfs/dbraw/zinc/25/40/43/556254043.db2.gz YFMPAMMGAVXWSJ-MZNJEOGPSA-N 0 0 459.933 5.328 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000026712879 556259866 /nfs/dbraw/zinc/25/98/66/556259866.db2.gz ILUQMANGCIWCIY-UNOMPAQXSA-N 0 0 476.417 5.424 40 30 JKEBRN CCOc1ccccc1CN=Nc1nnc(N=NCc2ccccc2OCC)c2ccccc21 ZINC000017418091 556260515 /nfs/dbraw/zinc/26/05/15/556260515.db2.gz DHLMCOWSYCMFJH-XUIWWLCJSA-N 0 0 454.534 5.319 40 30 JKEBRN C/C(=N/N(CCCCN(/N=C(/C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017417789 556260542 /nfs/dbraw/zinc/26/05/42/556260542.db2.gz GXMHQWLRHZPXTR-YSBSNMNTSA-N 0 0 474.652 7.628 40 30 JKEBRN CC(C)c1cc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc(C(C)C)c1O ZINC000026787096 556263609 /nfs/dbraw/zinc/26/36/09/556263609.db2.gz SKTHPLFETISUOJ-UHFFFAOYSA-N 0 0 471.022 6.540 40 30 JKEBRN O=[N+]([O-])c1ccc(/C(=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000017729728 556265206 /nfs/dbraw/zinc/26/52/06/556265206.db2.gz QETZUAKCPLMWED-OWWNRXNESA-N 0 0 476.580 5.754 40 30 JKEBRN COc1cc(/C=N/c2ccc3c(c2)Cc2cc(NC(=O)C(F)(F)F)ccc2-3)cc(OC)c1OC ZINC000017886684 556269679 /nfs/dbraw/zinc/26/96/79/556269679.db2.gz VEBJXGWYFKCPOU-VFLNYLIXSA-N 0 0 470.447 5.535 40 30 JKEBRN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000027061679 556273112 /nfs/dbraw/zinc/27/31/12/556273112.db2.gz SDXPAQIWSYTVSF-FQEVSTJZSA-N 0 0 455.919 5.202 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000027061683 556273129 /nfs/dbraw/zinc/27/31/29/556273129.db2.gz SDXPAQIWSYTVSF-HXUWFJFHSA-N 0 0 455.919 5.202 40 30 JKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000027061650 556273271 /nfs/dbraw/zinc/27/32/71/556273271.db2.gz MQPVNLQUFINXSL-QFIPXVFZSA-N 0 0 467.974 6.316 40 30 JKEBRN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(C)c3)N(Cc3ccccc3)C1=O)S2 ZINC000013080561 556278485 /nfs/dbraw/zinc/27/84/85/556278485.db2.gz NILLPSSNZZRIJV-SCMILFJUSA-N 0 0 473.623 6.178 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=S)Nc2cccc(Cl)c2C)NCCc2c[nH]c3ccccc23)n1 ZINC000018077358 556284198 /nfs/dbraw/zinc/28/41/98/556284198.db2.gz UBRSTBPEFBBAFI-UHFFFAOYSA-N 0 0 492.052 5.534 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)c2ccccc21 ZINC000028182651 556316981 /nfs/dbraw/zinc/31/69/81/556316981.db2.gz RMZUZIOMUIFOOW-WGARJPEWSA-N 0 0 453.494 5.400 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018255601 556317157 /nfs/dbraw/zinc/31/71/57/556317157.db2.gz AFGLQIUEHJHDTN-LYOXXKGGSA-N 0 0 482.539 5.078 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1 ZINC000028219485 556325534 /nfs/dbraw/zinc/32/55/34/556325534.db2.gz YREFXPKEPGTMHD-MZJWZYIUSA-N 0 0 463.990 6.562 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000029463019 556352339 /nfs/dbraw/zinc/35/23/39/556352339.db2.gz XNZIMRUZBOZIBC-JVRMVBBZSA-N 0 0 470.738 7.178 40 30 JKEBRN O=C(CSc1nc2ccccc2o1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000030823023 556375065 /nfs/dbraw/zinc/37/50/65/556375065.db2.gz UGAHVYAOCAAZER-RUZDIDTESA-N 0 0 471.538 5.720 40 30 JKEBRN COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1ccc(Br)cc1 ZINC000032109264 556418706 /nfs/dbraw/zinc/41/87/06/556418706.db2.gz ATGMQSJVJWROII-OYKKKHCWSA-N 0 0 470.392 5.769 40 30 JKEBRN Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112028 556420875 /nfs/dbraw/zinc/42/08/75/556420875.db2.gz BKNPDGPLODJPOU-KCSSXMTESA-N 0 0 494.978 7.694 40 30 JKEBRN Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000032114478 556421068 /nfs/dbraw/zinc/42/10/68/556421068.db2.gz HKTQPDVXIDUONA-XODNFHPESA-N 0 0 491.772 7.829 40 30 JKEBRN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032114875 556421619 /nfs/dbraw/zinc/42/16/19/556421619.db2.gz PTQXMRFUPROOJB-JQAMDZJQSA-N 0 0 477.692 6.954 40 30 JKEBRN Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115099 556422156 /nfs/dbraw/zinc/42/21/56/556422156.db2.gz WBOXNGSRWGYACZ-IBBHUPRXSA-N 0 0 474.894 7.473 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115287 556422459 /nfs/dbraw/zinc/42/24/59/556422459.db2.gz ZHUJIUYGLSBEAS-JQAMDZJQSA-N 0 0 493.691 6.654 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2[N+](=O)[O-])cc1 ZINC000032117151 556425667 /nfs/dbraw/zinc/42/56/67/556425667.db2.gz RYKBEVSJJIITMA-MQRLXVCBSA-N 0 0 489.666 7.889 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000032124747 556427685 /nfs/dbraw/zinc/42/76/85/556427685.db2.gz FMGHLSIBNLIKBY-IGLNGXFKSA-N 0 0 454.636 5.469 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C=O)c4cc(Br)ccc43)sc2C1 ZINC000032124841 556427779 /nfs/dbraw/zinc/42/77/79/556427779.db2.gz NFQDWRLREJNLOV-OAHLLOKOSA-N 0 0 498.446 5.939 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=N\n3cnc4sc5c(c4c3=O)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000032124820 556427877 /nfs/dbraw/zinc/42/78/77/556427877.db2.gz QCJRJTQSQOOGLL-ZMFRSBBQSA-N 0 0 476.583 5.587 40 30 JKEBRN CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Oc1cccc(C)c1 ZINC000032634607 556455895 /nfs/dbraw/zinc/45/58/95/556455895.db2.gz DXNSUOMBJDYLHK-NFPRWMPLSA-N 0 0 493.050 5.232 40 30 JKEBRN N#Cc1c(NC(=O)CSc2nnc(-c3ccccn3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000032698353 556471978 /nfs/dbraw/zinc/47/19/78/556471978.db2.gz WRIBURROTMXKBT-UHFFFAOYSA-N 0 0 479.521 5.661 40 30 JKEBRN N#Cc1c(NC(=O)CSc2nnc(-c3ccco3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000032699201 556471992 /nfs/dbraw/zinc/47/19/92/556471992.db2.gz MKONUCRXVLGZNQ-UHFFFAOYSA-N 0 0 468.494 5.859 40 30 JKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000032789543 556495007 /nfs/dbraw/zinc/49/50/07/556495007.db2.gz CDEIJSVCHBDKOI-UHFFFAOYSA-N 0 0 467.809 5.746 40 30 JKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000032789449 556495136 /nfs/dbraw/zinc/49/51/36/556495136.db2.gz LWZORPWMIZNKAP-UHFFFAOYSA-N 0 0 470.623 5.977 40 30 JKEBRN CCC/C=C/C=C/C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C ZINC000514287946 560035829 /nfs/dbraw/zinc/03/58/29/560035829.db2.gz LVWCGFQTAFKQBI-WXTZIZMFSA-N 0 0 498.660 5.267 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501210 560037868 /nfs/dbraw/zinc/03/78/68/560037868.db2.gz ODSSDTBFHAYYMD-NHESEAEJSA-N 0 0 468.766 8.596 40 30 biogenic,in-vitro JKEBRN CCCCCCCCCCCCCCCCNc1c2cc(C)cc(C)c2nc2c1C(=O)CC(C)(C)C2 ZINC000049803526 563204172 /nfs/dbraw/zinc/20/41/72/563204172.db2.gz KBNYSOPJVDWKCD-UHFFFAOYSA-N 0 0 492.792 9.900 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1 ZINC000051943753 563204756 /nfs/dbraw/zinc/20/47/56/563204756.db2.gz OFBANDBMHLEMFA-YTMVLYRLSA-N 0 0 474.730 6.018 40 30 in-vitro JKEBRN Clc1nc2ccccc2cc1/C=N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000053386572 569589183 /nfs/dbraw/zinc/58/91/83/569589183.db2.gz BIINVGDSXOTBBJ-DDIZTEBPSA-N 0 0 456.977 5.757 40 30 JKEBRN Brc1ccccc1CC(C#Cc1ccccc1)Cc1ccccc1Br ZINC000055120891 569590854 /nfs/dbraw/zinc/59/08/54/569590854.db2.gz FPBNTQKKGDPNST-UHFFFAOYSA-N 0 0 454.205 6.665 40 30 JKEBRN CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 ZINC000057313321 569596596 /nfs/dbraw/zinc/59/65/96/569596596.db2.gz ABCDYGDOEIKKQM-SFHVURJKSA-N 0 0 480.634 6.168 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)S/C2=N\c2ccccc2)cc1 ZINC000008722238 569598936 /nfs/dbraw/zinc/59/89/36/569598936.db2.gz ZLPRGAWPCRZGBQ-HSRYIGQESA-N 0 0 490.581 5.525 40 30 JKEBRN Brc1ccc2nc(N=NCc3ccnc4ccccc34)nc(-c3ccccc3)c2c1 ZINC000058161091 569602255 /nfs/dbraw/zinc/60/22/55/569602255.db2.gz NHRUDGWCDJHKHU-JFLMPSFJSA-N 0 0 454.331 6.054 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(Cl)cc1 ZINC000059193839 569602353 /nfs/dbraw/zinc/60/23/53/569602353.db2.gz ACGVKZNPRGCZMD-JFLMPSFJSA-N 0 0 463.990 6.806 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059193881 569602394 /nfs/dbraw/zinc/60/23/94/569602394.db2.gz HKFPYZMLHLNUTE-CVKSISIWSA-N 0 0 488.525 5.701 40 30 JKEBRN O=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059301801 569602809 /nfs/dbraw/zinc/60/28/09/569602809.db2.gz SPLKAJFMRBJHAU-BIEDDHLVSA-N 0 0 484.024 6.803 40 30 JKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000059418029 569602930 /nfs/dbraw/zinc/60/29/30/569602930.db2.gz YSKWHQZBUCSCAW-HYARGMPZSA-N 0 0 450.947 5.819 40 30 JKEBRN Oc1ccc(Cc2ccccc2)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000059417905 569602931 /nfs/dbraw/zinc/60/29/31/569602931.db2.gz IVDKODIFOMLKGW-TWKHWXDSSA-N 0 0 487.567 6.101 40 30 JKEBRN Fc1ccccc1COc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000059418306 569603139 /nfs/dbraw/zinc/60/31/39/569603139.db2.gz OVEWBVZHTJYRPA-VUTHCHCSSA-N 0 0 489.599 5.016 40 30 JKEBRN Fc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)c2)cc1 ZINC000059418358 569603239 /nfs/dbraw/zinc/60/32/39/569603239.db2.gz YLCMKRUJDNOOSY-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000059426476 569603548 /nfs/dbraw/zinc/60/35/48/569603548.db2.gz GDTPOYQVDGPUBS-YZSQISJMSA-N 0 0 466.562 6.319 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc4ccccc4c3)c2-c2ccccc2)cc1 ZINC000059427652 569603651 /nfs/dbraw/zinc/60/36/51/569603651.db2.gz GDDDBCFQOQIIRU-PPFNPFNJSA-N 0 0 493.566 8.623 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)CCCC3 ZINC000059433759 569603762 /nfs/dbraw/zinc/60/37/62/569603762.db2.gz QHSOPHAOLVIJCL-KVSWJAHQSA-N 0 0 484.408 6.105 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000059435458 569603773 /nfs/dbraw/zinc/60/37/73/569603773.db2.gz IJHTXBNNBREJBK-LUJVFJMUSA-N 0 0 453.973 6.260 40 30 JKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3s2)cc1 ZINC000059459188 569604096 /nfs/dbraw/zinc/60/40/96/569604096.db2.gz UTOJENZPGDMLLP-VULFUBBASA-N 0 0 490.610 6.809 40 30 JKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)c1 ZINC000059459443 569604128 /nfs/dbraw/zinc/60/41/28/569604128.db2.gz IGGQFAHDTJHJAC-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1 ZINC000059461389 569604187 /nfs/dbraw/zinc/60/41/87/569604187.db2.gz KCKFVXCKFICWET-SZCPUGKMSA-N 0 0 462.958 7.109 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)c(C)c1 ZINC000059461298 569604220 /nfs/dbraw/zinc/60/42/20/569604220.db2.gz UYFYLWZLYAEZSN-LGJNPRDNSA-N 0 0 461.612 6.409 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1 ZINC000059461390 569604231 /nfs/dbraw/zinc/60/42/31/569604231.db2.gz KCKFVXCKFICWET-CPMCUDQDSA-N 0 0 462.958 7.109 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463784 569604456 /nfs/dbraw/zinc/60/44/56/569604456.db2.gz ROEUGRLQPWJPIP-VULFUBBASA-N 0 0 492.398 7.515 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474787 569604516 /nfs/dbraw/zinc/60/45/16/569604516.db2.gz DZJRFIKFQVFYOD-FSJBWODESA-N 0 0 493.526 5.594 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474807 569604535 /nfs/dbraw/zinc/60/45/35/569604535.db2.gz ZAEYHMRUHWVVGX-BHGWPJFGSA-N 0 0 498.973 6.045 40 30 JKEBRN Clc1ccccc1COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059475124 569604611 /nfs/dbraw/zinc/60/46/11/569604611.db2.gz ZZBCCGKTQHYZKM-ZCTHSVRISA-N 0 0 496.035 8.156 40 30 JKEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(Br)cc1 ZINC000059475348 569604849 /nfs/dbraw/zinc/60/48/49/569604849.db2.gz WPDGBNXFWRFXEH-UHFFFAOYSA-N 0 0 493.224 5.631 40 30 JKEBRN O=S(=O)(Oc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000059483032 569604912 /nfs/dbraw/zinc/60/49/12/569604912.db2.gz BGRBSZRVJIOPFC-ZVHZXABRSA-N 0 0 454.960 5.982 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)cc1Cl ZINC000059483469 569604996 /nfs/dbraw/zinc/60/49/96/569604996.db2.gz PRBGQORPVGQIMF-RPPGKUMJSA-N 0 0 469.994 6.879 40 30 JKEBRN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c1 ZINC000059483430 569604997 /nfs/dbraw/zinc/60/49/97/569604997.db2.gz CZBWQVHHNZPGSU-LGJNPRDNSA-N 0 0 498.029 6.448 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc2)c1 ZINC000059484194 569605036 /nfs/dbraw/zinc/60/50/36/569605036.db2.gz PRGHKLOCDPDBGQ-UHFFFAOYSA-N 0 0 483.608 6.187 40 30 JKEBRN CCOc1cc(OCc2ccccc2)ccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000059484179 569605044 /nfs/dbraw/zinc/60/50/44/569605044.db2.gz BSOUPIVKHKABRZ-UHFFFAOYSA-N 0 0 499.651 6.638 40 30 JKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OCC)c1 ZINC000059484363 569605059 /nfs/dbraw/zinc/60/50/59/569605059.db2.gz IQCFMERJPFQSAD-MTDXEUNCSA-N 0 0 457.599 7.029 40 30 JKEBRN CCCOc1c(Br)cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1OC ZINC000059484488 569605066 /nfs/dbraw/zinc/60/50/66/569605066.db2.gz HYDAUBPQOJBRNE-DHRITJCHSA-N 0 0 467.319 5.030 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3OCc3ccccc3)sc2-c2ccccc2)cc1 ZINC000059484314 569605067 /nfs/dbraw/zinc/60/50/67/569605067.db2.gz HOGCWLFERMUEGT-AJBULDERSA-N 0 0 475.617 7.811 40 30 JKEBRN CCCOc1c(Br)cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1OCC ZINC000059484491 569605086 /nfs/dbraw/zinc/60/50/86/569605086.db2.gz VNCFPNNLNKXUNI-VULFUBBASA-N 0 0 481.346 5.420 40 30 JKEBRN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(C)cc4)c(-c4ccccc4)s3)cc2)cc1 ZINC000059484365 569605126 /nfs/dbraw/zinc/60/51/26/569605126.db2.gz CLZIDCJLFJMWHL-UZWMFBFFSA-N 0 0 489.644 8.119 40 30 JKEBRN O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484851 569605223 /nfs/dbraw/zinc/60/52/23/569605223.db2.gz WVPSHNADPNOPCD-XRKKSIEBSA-N 0 0 453.394 6.666 40 30 JKEBRN N#Cc1ccc(CSc2nnc(Cc3cccc4ccccc43)n2-c2ccccc2)c(Cl)c1 ZINC000059484610 569605227 /nfs/dbraw/zinc/60/52/27/569605227.db2.gz MYZUQEBPCYBTGB-UHFFFAOYSA-N 0 0 466.997 6.829 40 30 JKEBRN O=C(CSc1nc2ccc(N=Cc3ccccc3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000059488384 569605436 /nfs/dbraw/zinc/60/54/36/569605436.db2.gz TXRBPSGQOHYLAY-RDRPBHBLSA-N 0 0 464.615 7.689 40 30 JKEBRN CC(C)CN(CC(C)C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] ZINC000059489961 569606013 /nfs/dbraw/zinc/60/60/13/569606013.db2.gz BEEHCMZXGMZJAN-LGJNPRDNSA-N 0 0 466.611 5.479 40 30 JKEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000059489973 569606051 /nfs/dbraw/zinc/60/60/51/569606051.db2.gz OJKYVFXGFUVUSA-LFVJCYFKSA-N 0 0 450.568 5.050 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 ZINC000059500245 569606081 /nfs/dbraw/zinc/60/60/81/569606081.db2.gz ILYPQRYFOQLVRO-MWAVMZGNSA-N 0 0 493.588 6.366 40 30 JKEBRN COC(=O)c1cccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)c1 ZINC000059500693 569606109 /nfs/dbraw/zinc/60/61/09/569606109.db2.gz OWEAQTFXEXSIJH-MZJWZYIUSA-N 0 0 479.941 6.320 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1 ZINC000059500682 569606112 /nfs/dbraw/zinc/60/61/12/569606112.db2.gz IZILWPZEVFXMDL-MZJWZYIUSA-N 0 0 479.941 6.320 40 30 JKEBRN O=C1/C(=C/c2c3ccccc3cc3ccccc32)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503513 569606362 /nfs/dbraw/zinc/60/63/62/569606362.db2.gz YRUFBNKXZOFNNN-BBQFQXQASA-N 0 0 456.570 7.802 40 30 JKEBRN c1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000059514542 569606443 /nfs/dbraw/zinc/60/64/43/569606443.db2.gz HSAWMCCRZPKWGX-TWKHWXDSSA-N 0 0 487.567 6.384 40 30 JKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059514587 569606495 /nfs/dbraw/zinc/60/64/95/569606495.db2.gz JVHDISFLVACAJO-RGVLZGJSSA-N 0 0 496.888 5.840 40 30 JKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000059514564 569606536 /nfs/dbraw/zinc/60/65/36/569606536.db2.gz XPJMBHDADJAECT-SRZZPIQSSA-N 0 0 489.811 7.117 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc(Br)c1O ZINC000059566617 569606955 /nfs/dbraw/zinc/60/69/55/569606955.db2.gz UGSHGSDAWGEOCY-QPEQYQDCSA-N 0 0 474.163 5.362 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(C=O)c3)cc2)cc1 ZINC000059663719 569607318 /nfs/dbraw/zinc/60/73/18/569607318.db2.gz SZIBCWZIFJAKMM-UHFFFAOYSA-N 0 0 474.553 6.677 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059678803 569607481 /nfs/dbraw/zinc/60/74/81/569607481.db2.gz ZIOPFZCGUYPTHZ-SSDVNMTOSA-N 0 0 450.741 6.384 40 30 JKEBRN CN(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000059720500 569607520 /nfs/dbraw/zinc/60/75/20/569607520.db2.gz YIQNYPUALAHNKA-ZXAKHJNPSA-N 0 0 494.104 7.621 40 30 JKEBRN CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000059720515 569607530 /nfs/dbraw/zinc/60/75/30/569607530.db2.gz CCKMPERFZFNIMC-WMMCOQJOSA-N 0 0 495.088 7.954 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3Cl)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720463 569607537 /nfs/dbraw/zinc/60/75/37/569607537.db2.gz HEPJKHYIGYHYQH-DXRBVMPTSA-N 0 0 485.480 8.209 40 30 JKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)c1 ZINC000059679159 569607545 /nfs/dbraw/zinc/60/75/45/569607545.db2.gz YPFDQLSJEUFTPB-MOSHPQCFSA-N 0 0 452.377 5.748 40 30 JKEBRN CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000059720513 569607587 /nfs/dbraw/zinc/60/75/87/569607587.db2.gz CCKMPERFZFNIMC-ZXAKHJNPSA-N 0 0 495.088 7.954 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(F)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720521 569607591 /nfs/dbraw/zinc/60/75/91/569607591.db2.gz ZIJQEFCZDSWSON-DXRBVMPTSA-N 0 0 469.025 7.695 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000059959558 569608274 /nfs/dbraw/zinc/60/82/74/569608274.db2.gz HEYQNRKIEXJLFJ-YXCSQOMQSA-N 0 0 464.525 5.515 40 30 JKEBRN CN(C)c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)cc1 ZINC000062587494 569612133 /nfs/dbraw/zinc/61/21/33/569612133.db2.gz QMMRBDJZGXIRPS-VULFUBBASA-N 0 0 480.797 6.225 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC ZINC000033363972 569625125 /nfs/dbraw/zinc/62/51/25/569625125.db2.gz IOMOXVJUOMBDNS-HVSIYQNKSA-N 0 0 493.028 7.173 40 30 JKEBRN Brc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000033377268 569625310 /nfs/dbraw/zinc/62/53/10/569625310.db2.gz STCFLDKYOVXKJW-AFUMVMLFSA-N 0 0 464.388 6.598 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000033393526 569625636 /nfs/dbraw/zinc/62/56/36/569625636.db2.gz OQVFWKOSJNLAHP-LIMNOBDPSA-N 0 0 451.206 5.697 40 30 JKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000033397827 569625697 /nfs/dbraw/zinc/62/56/97/569625697.db2.gz GNVJSHBNENTNSO-FMCGGJTJSA-N 0 0 460.715 6.036 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000033397157 569625718 /nfs/dbraw/zinc/62/57/18/569625718.db2.gz TZZYVWFXMIOJMV-XMMPIXPASA-N 0 0 495.934 5.317 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033400956 569625922 /nfs/dbraw/zinc/62/59/22/569625922.db2.gz XZFVSNSPXQGGLY-UHFFFAOYSA-N 0 0 450.778 7.130 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1OC ZINC000033541568 569627665 /nfs/dbraw/zinc/62/76/65/569627665.db2.gz XBOBFCBTMXCVHY-XMMPIXPASA-N 0 0 495.934 5.317 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000033541351 569627683 /nfs/dbraw/zinc/62/76/83/569627683.db2.gz VQVONGWZSWSAOT-VWLOTQADSA-N 0 0 491.609 5.710 40 30 JKEBRN CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000033546399 569627685 /nfs/dbraw/zinc/62/76/85/569627685.db2.gz VIIJHXMVPBGWND-UHFFFAOYSA-N 0 0 479.661 6.580 40 30 JKEBRN O=C(COc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Nc1ccc(F)cc1 ZINC000033568862 569628017 /nfs/dbraw/zinc/62/80/17/569628017.db2.gz IRGXUBGEWLHQAW-UHFFFAOYSA-N 0 0 495.934 5.625 40 30 JKEBRN N#Cc1ccccc1COc1c(Br)cc(C(=S)N2CCCC2)cc1Br ZINC000033601901 569628651 /nfs/dbraw/zinc/62/86/51/569628651.db2.gz COVPCQXDQGWYLC-UHFFFAOYSA-N 0 0 480.225 5.434 40 30 JKEBRN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000033646035 569629576 /nfs/dbraw/zinc/62/95/76/569629576.db2.gz GEPALCMNJSLFNX-UHFFFAOYSA-N 0 0 462.550 5.375 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccccc1C ZINC000033659837 569630010 /nfs/dbraw/zinc/63/00/10/569630010.db2.gz HNPAXWOGLUJCFS-UHFFFAOYSA-N 0 0 461.616 5.602 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000033662093 569630141 /nfs/dbraw/zinc/63/01/41/569630141.db2.gz GYAPWIUGPDWRGE-SANMLTNESA-N 0 0 489.543 5.226 40 30 JKEBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)c1 ZINC000033668680 569630475 /nfs/dbraw/zinc/63/04/75/569630475.db2.gz AGEAHZIWGCPRNA-UHFFFAOYSA-N 0 0 495.674 5.369 40 30 JKEBRN O=C(CO/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)Nc1ccc(Cl)cc1 ZINC000033714325 569631481 /nfs/dbraw/zinc/63/14/81/569631481.db2.gz RCWURCKUJNOMNP-ZRGSRPPYSA-N 0 0 491.744 5.810 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033731503 569632525 /nfs/dbraw/zinc/63/25/25/569632525.db2.gz TWFBSKDPKVRQQC-BIEDDHLVSA-N 0 0 479.665 7.171 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000033732197 569632553 /nfs/dbraw/zinc/63/25/53/569632553.db2.gz DZNVMHMYKMZHHF-NRFANRHFSA-N 0 0 498.052 5.366 40 30 JKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000033733808 569632672 /nfs/dbraw/zinc/63/26/72/569632672.db2.gz RNYVRETZXZGTJW-WAMJVRJTSA-N 0 0 477.029 7.554 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1cccnc1 ZINC000033735217 569632745 /nfs/dbraw/zinc/63/27/45/569632745.db2.gz WSOFMGLCESXNFJ-WAMJVRJTSA-N 0 0 462.663 6.427 40 30 JKEBRN O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000033783392 569634894 /nfs/dbraw/zinc/63/48/94/569634894.db2.gz HPGSZOUVVUFKSM-TXLBOVLDSA-N 0 0 475.400 7.955 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000033787575 569635089 /nfs/dbraw/zinc/63/50/89/569635089.db2.gz ROYPSNAIRNKYSB-HNNXBMFYSA-N 0 0 461.418 5.863 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 ZINC000033793741 569635201 /nfs/dbraw/zinc/63/52/01/569635201.db2.gz USVHRUJSJAJHHK-DICXZTSXSA-N 0 0 452.938 5.615 40 30 JKEBRN CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000033834371 569636088 /nfs/dbraw/zinc/63/60/88/569636088.db2.gz LTHNVTNWGAVCSG-LAMXGVLKSA-N 0 0 489.568 5.045 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000033853233 569636229 /nfs/dbraw/zinc/63/62/29/569636229.db2.gz JZTTXWRIMPFYGW-OAHLLOKOSA-N 0 0 461.418 5.863 40 30 JKEBRN Cc1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000033909120 569637307 /nfs/dbraw/zinc/63/73/07/569637307.db2.gz IWYAJSKRZHKBAE-DADJGAKYSA-N 0 0 495.560 7.280 40 30 JKEBRN Cc1cc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(F)cc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000033909332 569637326 /nfs/dbraw/zinc/63/73/26/569637326.db2.gz MUZWROJHURGPKE-GATIEOLUSA-N 0 0 488.439 5.127 40 30 JKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000033932450 569638044 /nfs/dbraw/zinc/63/80/44/569638044.db2.gz XLLACHCNVFOXIT-WTVARKITSA-N 0 0 491.584 5.113 40 30 JKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)c(F)c(F)c(F)c1F ZINC000033957392 569639458 /nfs/dbraw/zinc/63/94/58/569639458.db2.gz MZASFPZPUCODOP-WQVCSAPWSA-N 0 0 462.462 6.419 40 30 JKEBRN COC(=O)c1sc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1C ZINC000033958577 569639488 /nfs/dbraw/zinc/63/94/88/569639488.db2.gz IQRAFJHOBJMRMJ-AUEPDCJTSA-N 0 0 450.347 5.570 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000034144962 569639675 /nfs/dbraw/zinc/63/96/75/569639675.db2.gz BRVWVMGQXVARIS-XMMPIXPASA-N 0 0 467.352 7.364 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000034144961 569639721 /nfs/dbraw/zinc/63/97/21/569639721.db2.gz BRVWVMGQXVARIS-DEOSSOPVSA-N 0 0 467.352 7.364 40 30 JKEBRN CCCOc1cc(Br)c(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000034689579 569645592 /nfs/dbraw/zinc/64/55/92/569645592.db2.gz HSRJZUQORCCXJF-UHFFFAOYSA-N 0 0 488.422 5.680 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000034704809 569649474 /nfs/dbraw/zinc/64/94/74/569649474.db2.gz QSGOUCVXVVJXDB-CYBMUJFWSA-N 0 0 481.836 6.208 40 30 JKEBRN Cc1c(C=NN=c2[nH]c3ccccc3s2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000034759621 569657526 /nfs/dbraw/zinc/65/75/26/569657526.db2.gz UFQKQZQHKUUILG-UVHMKAGCSA-N 0 0 465.409 7.361 40 30 JKEBRN Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000034761518 569657835 /nfs/dbraw/zinc/65/78/35/569657835.db2.gz FAMBDCWWQUKIEB-MWLSYYOVSA-N 0 0 458.945 6.370 40 30 JKEBRN O=C1/C(=C/c2ccc(Sc3ccccc3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000034857325 569667527 /nfs/dbraw/zinc/66/75/27/569667527.db2.gz AAJBMVVXYSCSFH-MELLALHUSA-N 0 0 466.672 7.369 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000034868974 569668154 /nfs/dbraw/zinc/66/81/54/569668154.db2.gz YOZWVVRQONSEMU-LJQANCHMSA-N 0 0 485.613 5.148 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000034880579 569668699 /nfs/dbraw/zinc/66/86/99/569668699.db2.gz HIWLERBZYLNEPN-IBGZPJMESA-N 0 0 485.613 5.148 40 30 JKEBRN CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@H]1O2 ZINC000034911183 569671496 /nfs/dbraw/zinc/67/14/96/569671496.db2.gz FXSMCIIJTCSGGX-KONZDXBDSA-N 0 0 458.727 7.766 40 30 JKEBRN N#Cc1cccc(Oc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2)c1C#N ZINC000035140498 569675657 /nfs/dbraw/zinc/67/56/57/569675657.db2.gz WQQVKFLHXYHBPX-NDEPHWFRSA-N 0 0 492.918 6.657 40 30 JKEBRN N#Cc1cccc(Oc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1C#N ZINC000035140475 569675697 /nfs/dbraw/zinc/67/56/97/569675697.db2.gz OQAVGXBFFIVENA-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1C#N ZINC000035140466 569675718 /nfs/dbraw/zinc/67/57/18/569675718.db2.gz NKQKAABHNJCJRV-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147165 569675782 /nfs/dbraw/zinc/67/57/82/569675782.db2.gz UDUBRBAUUIAKKM-MHZLTWQESA-N 0 0 485.580 5.396 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1OC ZINC000035147234 569675917 /nfs/dbraw/zinc/67/59/17/569675917.db2.gz QYFXQCCAMUSJNF-ZCUZSRHZSA-N 0 0 487.527 5.064 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1OC ZINC000035147228 569676029 /nfs/dbraw/zinc/67/60/29/569676029.db2.gz MQAZUIVICOAAOW-RVSJASMMSA-N 0 0 487.527 5.064 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147487 569676057 /nfs/dbraw/zinc/67/60/57/569676057.db2.gz BYOAZLFJNDXOMD-VWLOTQADSA-N 0 0 481.508 5.206 40 30 JKEBRN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 ZINC000035147536 569676098 /nfs/dbraw/zinc/67/60/98/569676098.db2.gz YQNOAUMOVIBNLJ-AREMUKBSSA-N 0 0 482.536 5.093 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000035147503 569676123 /nfs/dbraw/zinc/67/61/23/569676123.db2.gz WBHMGDHVSSIWLH-DEOSSOPVSA-N 0 0 485.471 5.036 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000035152642 569676226 /nfs/dbraw/zinc/67/62/26/569676226.db2.gz ZYEBWSCDPYFGPL-HNNXBMFYSA-N 0 0 461.418 5.863 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3ccccc3F)c2c1 ZINC000035164082 569676371 /nfs/dbraw/zinc/67/63/71/569676371.db2.gz NBJNVKQZISURGS-FUCFDFLFSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164176 569676446 /nfs/dbraw/zinc/67/64/46/569676446.db2.gz FOMBJJPHGKOOBX-DEOSSOPVSA-N 0 0 472.566 5.367 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164201 569676459 /nfs/dbraw/zinc/67/64/59/569676459.db2.gz AUEMWRISSFKJHI-HSZRJFAPSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164078 569676464 /nfs/dbraw/zinc/67/64/64/569676464.db2.gz WRLKEMBMQJZRDU-OXIVNLASSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164298 569676542 /nfs/dbraw/zinc/67/65/42/569676542.db2.gz GHPKKPWXJBOFJA-HHHXNRCGSA-N 0 0 484.527 5.066 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164891 569676766 /nfs/dbraw/zinc/67/67/66/569676766.db2.gz HYMMLURWVLFACQ-RUZDIDTESA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164868 569676825 /nfs/dbraw/zinc/67/68/25/569676825.db2.gz UQIZVXICBUWNHG-VWLOTQADSA-N 0 0 486.955 5.651 40 30 JKEBRN CC(C)COC(=O)[C@@H]1/C(=N/N=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@@H]1c1ccccc1 ZINC000066088778 569676841 /nfs/dbraw/zinc/67/68/41/569676841.db2.gz JVOVXAZRZDOUNA-LJIDFQBISA-N 0 0 482.624 6.024 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3OC)c2c1 ZINC000035164864 569676851 /nfs/dbraw/zinc/67/68/51/569676851.db2.gz JAJPJDJDNOEYKF-SANMLTNESA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164852 569676860 /nfs/dbraw/zinc/67/68/60/569676860.db2.gz NVMIDXKMBACJSO-SANMLTNESA-N 0 0 466.537 5.306 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035165002 569676895 /nfs/dbraw/zinc/67/68/95/569676895.db2.gz RRAAZSAUVHXEJH-AREMUKBSSA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)c2c1 ZINC000035164976 569676913 /nfs/dbraw/zinc/67/69/13/569676913.db2.gz SBDZAEDQTKXMEI-MHZLTWQESA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035165006 569676943 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CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000072230227 569700875 /nfs/dbraw/zinc/70/08/75/569700875.db2.gz HFBJKGBOWGCBHE-VULFUBBASA-N 0 0 459.978 5.249 40 30 JKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)S2)cc1C ZINC000035646438 569705832 /nfs/dbraw/zinc/70/58/32/569705832.db2.gz HHMIFMIBXIFQGX-NDENLUEZSA-N 0 0 453.361 6.218 40 30 JKEBRN COc1ccc(C(Cl)C(=CN=Nc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000078547672 569706264 /nfs/dbraw/zinc/70/62/64/569706264.db2.gz ARUMLYSMXFXKOR-JUQWFJRLSA-N 0 0 457.877 5.552 40 30 JKEBRN C=CCn1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000083253198 569708248 /nfs/dbraw/zinc/70/82/48/569708248.db2.gz XDOXSIOBOFKNLF-VJJXQLHZSA-N 0 0 463.606 6.500 40 30 JKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F ZINC000083299337 569708368 /nfs/dbraw/zinc/70/83/68/569708368.db2.gz LCMPADGTZXHKSD-MXAYSNPKSA-N 0 0 488.313 5.920 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000083309945 569708450 /nfs/dbraw/zinc/70/84/50/569708450.db2.gz NVOROSQLQBNSMC-IMRQLAEWSA-N 0 0 463.606 6.961 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309925 569708484 /nfs/dbraw/zinc/70/84/84/569708484.db2.gz XLUATRFKMDVGLE-NHDPSOOVSA-N 0 0 456.398 6.601 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000083309970 569708490 /nfs/dbraw/zinc/70/84/90/569708490.db2.gz SJKITYLAUPSTTI-QRVIBDJDSA-N 0 0 460.559 5.379 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000083311758 569708497 /nfs/dbraw/zinc/70/84/97/569708497.db2.gz NUFWMSFPKONCSD-HAVVHWLPSA-N 0 0 483.655 5.838 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000083309873 569708506 /nfs/dbraw/zinc/70/85/06/569708506.db2.gz ITUKWQGBILCNQM-BKUYFWCQSA-N 0 0 466.404 6.057 40 30 JKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000083315445 569708561 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0 0 482.688 6.567 40 30 in-vitro JKEBRN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N/N=C1/c2cc(Br)ccc2NC1=O ZINC000086069896 569717645 /nfs/dbraw/zinc/71/76/45/569717645.db2.gz IUHHXVQYFVYXEL-RRAHZORUSA-N 0 0 463.379 5.710 40 30 JKEBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000090443184 569720784 /nfs/dbraw/zinc/72/07/84/569720784.db2.gz TWFMEZWEOBBCSZ-DSITVLBTSA-N 0 0 483.593 5.167 40 30 JKEBRN CCCCCCCCCCCCCCCc1ccc(/C=N/S(=O)(=O)c2ccc(N)cc2)c(O)c1 ZINC000095101137 569721630 /nfs/dbraw/zinc/72/16/30/569721630.db2.gz NKBVBBJWPLRAFX-JJKYIXSRSA-N 0 0 486.722 7.416 40 30 JKEBRN Cc1ccc(C(=O)C2=C(Nc3ccccc3)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000095101375 569721814 /nfs/dbraw/zinc/72/18/14/569721814.db2.gz YXMWATWPMBFKBT-NDEPHWFRSA-N 0 0 494.978 6.691 40 30 JKEBRN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(CO/N=C\c4ccccc4Cl)nc3c12 ZINC000095101285 569721869 /nfs/dbraw/zinc/72/18/69/569721869.db2.gz QWAYAXCYNRZQON-BCHBDCPOSA-N 0 0 487.976 5.499 40 30 JKEBRN 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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC/C(=N\O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095949912 569731460 /nfs/dbraw/zinc/73/14/60/569731460.db2.gz OQNODWYKFOWXLK-VSBYOCOQSA-N 0 0 483.737 7.791 40 30 JKEBRN CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O ZINC000097945765 569746823 /nfs/dbraw/zinc/74/68/23/569746823.db2.gz AHLBNYSZXLDEJQ-XUJYPJAKSA-N 0 0 495.745 6.882 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000036007857 569747786 /nfs/dbraw/zinc/74/77/86/569747786.db2.gz YEEVSZGFDDBJKC-CYFNAFFESA-N 0 0 485.535 5.854 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C2=N)S1 ZINC000097964968 569748018 /nfs/dbraw/zinc/74/80/18/569748018.db2.gz OPKRGFRDWRRVNT-NZAISQPBSA-N 0 0 491.661 6.391 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C2=N)S1 ZINC000097964963 569748056 /nfs/dbraw/zinc/74/80/56/569748056.db2.gz ONASKSQDNVYZLG-WLKIOIGBSA-N 0 0 491.661 6.473 40 30 JKEBRN CCCCCCCCOc1ccc(C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000097980928 569748310 /nfs/dbraw/zinc/74/83/10/569748310.db2.gz MNSNKEDPLJHFEJ-AYRFUNSJSA-N 0 0 487.547 5.828 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(I)cc1 ZINC000097991721 569748662 /nfs/dbraw/zinc/74/86/62/569748662.db2.gz GXNHITBHUGJOLG-MRUKODCESA-N 0 0 484.263 5.559 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000097997052 569749019 /nfs/dbraw/zinc/74/90/19/569749019.db2.gz LNXYVRKONSXUKZ-FYHLHOPESA-N 0 0 498.701 6.407 40 30 JKEBRN O=C(Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1)Nc1cccc2ccccc21 ZINC000098001265 569749252 /nfs/dbraw/zinc/74/92/52/569749252.db2.gz LATJTJBJUIXUEL-UHFFFAOYSA-N 0 0 492.366 7.034 40 30 JKEBRN FC(F)[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100048613 569751935 /nfs/dbraw/zinc/75/19/35/569751935.db2.gz TVJLUYIVQMZQPH-UWTATZPHSA-N 0 0 470.069 6.261 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100044156 569751954 /nfs/dbraw/zinc/75/19/54/569751954.db2.gz SYVYTZLRTMPUCD-UHFFFAOYSA-N 0 0 454.507 6.192 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)ccc1OCc1cccc(C)c1 ZINC000100076491 569752530 /nfs/dbraw/zinc/75/25/30/569752530.db2.gz WQPYONRAEBZVLF-SNEUTOQVSA-N 0 0 498.648 7.129 40 30 JKEBRN CCCCCCCCCCCOCCOCCOCCOCCCCCCCCCCC ZINC000100076978 569752552 /nfs/dbraw/zinc/75/25/52/569752552.db2.gz UFZVCWJKTKVKBC-UHFFFAOYSA-N 0 0 458.768 8.114 40 30 JKEBRN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(/N=C/c2cccs2)ccc1N1CCCCC1 ZINC000100084642 569752634 /nfs/dbraw/zinc/75/26/34/569752634.db2.gz HTIAUJNGMFLXQY-PCLIKHOPSA-N 0 0 461.697 5.792 40 30 JKEBRN C[C@@H](Sc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)C(=O)Nc1nccs1 ZINC000100097172 569752842 /nfs/dbraw/zinc/75/28/42/569752842.db2.gz PAMBTIYQFRVILZ-BPDROILWSA-N 0 0 493.466 6.930 40 30 JKEBRN C[C@H](Sc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1)C(=O)Nc1nccs1 ZINC000100097248 569752859 /nfs/dbraw/zinc/75/28/59/569752859.db2.gz KPGBTDBBCXCXJM-MOSLJXCSSA-N 0 0 475.020 5.982 40 30 JKEBRN CCCCCCCCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000100141732 569753661 /nfs/dbraw/zinc/75/36/61/569753661.db2.gz MHWNXOYFAGAANL-UHFFFAOYSA-N 0 0 472.654 7.673 40 30 JKEBRN C[C@@H]1CSC(=C(C(=O)/C=C/c2ccc(N(C)C)cc2)C(=O)/C=C/c2ccc(N(C)C)cc2)S1 ZINC000100153863 569754131 /nfs/dbraw/zinc/75/41/31/569754131.db2.gz HLGLZOWIFVGROB-SOWXKGGLSA-N 0 0 478.683 5.764 40 30 JKEBRN CCOC(=O)c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000100216156 569755623 /nfs/dbraw/zinc/75/56/23/569755623.db2.gz JHXXVQCAUSPWEJ-JFLMPSFJSA-N 0 0 463.942 6.701 40 30 JKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2-c2ccccc2)c1O ZINC000100222688 569755763 /nfs/dbraw/zinc/75/57/63/569755763.db2.gz INGXFLSZAHUACF-KCSSXMTESA-N 0 0 477.482 8.020 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C(=O)OC)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000100224430 569755848 /nfs/dbraw/zinc/75/58/48/569755848.db2.gz QBOWYWZMRPMLNY-RWPZCVJISA-N 0 0 493.968 6.710 40 30 JKEBRN CN(C)c1ccc(C=Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)cc1[N+](=O)[O-] ZINC000100252046 569756304 /nfs/dbraw/zinc/75/63/04/569756304.db2.gz ZIANUIACWPLHCD-LGJNPRDNSA-N 0 0 494.573 6.135 40 30 JKEBRN CC/N=C1\S/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C(=O)N1CC ZINC000100263701 569756531 /nfs/dbraw/zinc/75/65/31/569756531.db2.gz LRTNTTUXUAVSHJ-DNLCFCFBSA-N 0 0 492.382 5.182 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1 ZINC000100292680 569756810 /nfs/dbraw/zinc/75/68/10/569756810.db2.gz VZAKTHNUBPMJHL-OPEKNORGSA-N 0 0 487.965 7.049 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000100287161 569756812 /nfs/dbraw/zinc/75/68/12/569756812.db2.gz CBBCNDPZNFMWTD-JWMLTMDESA-N 0 0 459.527 5.276 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1 ZINC000100292747 569756898 /nfs/dbraw/zinc/75/68/98/569756898.db2.gz XQTMQPLTYDOIGV-WYMPLXKRSA-N 0 0 453.520 6.395 40 30 JKEBRN CCCCCCCC/C=C/CCCCCCCCOCCO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000100299064 569756955 /nfs/dbraw/zinc/75/69/55/569756955.db2.gz NPLMVGGTFDUQHL-OUKQBFOZSA-O 0 0 478.675 6.880 40 30 JKEBRN CCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCC ZINC000100304489 569757194 /nfs/dbraw/zinc/75/71/94/569757194.db2.gz AMOSICMEJHNLEP-UHFFFAOYSA-N 0 0 482.790 9.475 40 30 JKEBRN Brc1ccc(OCc2ccccc2)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000100314919 569757224 /nfs/dbraw/zinc/75/72/24/569757224.db2.gz UEBHHANPQGGYJX-YZSQISJMSA-N 0 0 451.364 5.615 40 30 JKEBRN Cc1ccc(Sc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100329546 569757438 /nfs/dbraw/zinc/75/74/38/569757438.db2.gz HYJOZYWITBXZCV-MTJSOVHGSA-N 0 0 453.436 5.317 40 30 JKEBRN COc1ccc(O)c(/C=N/c2ccc3nc(S[C@@H](C)C(=O)Nc4nccs4)sc3c2)c1 ZINC000100325123 569757518 /nfs/dbraw/zinc/75/75/18/569757518.db2.gz UURRGJPKRNKWBA-LITAXMHPSA-N 0 0 470.601 5.337 40 30 JKEBRN COCN1C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000100360958 569757926 /nfs/dbraw/zinc/75/79/26/569757926.db2.gz RMRGVCHGKOMHAC-GYOQDEGTSA-N 0 0 476.982 5.352 40 30 JKEBRN COc1cccc(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)c1O ZINC000100370744 569758318 /nfs/dbraw/zinc/75/83/18/569758318.db2.gz HLVWBFWZPMNIQI-OPEKNORGSA-N 0 0 475.422 7.360 40 30 JKEBRN COc1cccc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1OCc1ccccc1F ZINC000100384333 569758452 /nfs/dbraw/zinc/75/84/52/569758452.db2.gz DLQVETVSEPLZGH-KBVAKVRCSA-N 0 0 488.946 7.070 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000036253953 569758609 /nfs/dbraw/zinc/75/86/09/569758609.db2.gz YGECXPHADDPKLR-FXZATJRASA-N 0 0 482.809 5.870 40 30 JKEBRN O=C(NCc1ccccc1)c1c(/N=C/c2cc3c(cc2Cl)OCO3)sc2c1CCCC2 ZINC000100395206 569758734 /nfs/dbraw/zinc/75/87/34/569758734.db2.gz RKEZMNXBBGOBHY-UVHMKAGCSA-N 0 0 452.963 5.690 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100396230 569758865 /nfs/dbraw/zinc/75/88/65/569758865.db2.gz POZXFINARHNMRK-DUPRQXJUSA-N 0 0 485.008 7.273 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100402448 569759270 /nfs/dbraw/zinc/75/92/70/569759270.db2.gz GXIXIWXCGNJYOH-NMRWETQTSA-N 0 0 463.002 7.537 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100402459 569759288 /nfs/dbraw/zinc/75/92/88/569759288.db2.gz JSYRETFIPQYAIP-DUPRQXJUSA-N 0 0 485.008 7.273 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1sc2ccccc2c1Cl ZINC000100407559 569759375 /nfs/dbraw/zinc/75/93/75/569759375.db2.gz BIOZNCGXGWMPRQ-XODNFHPESA-N 0 0 459.876 7.543 40 30 JKEBRN O=C(CSc1nc2ccc(N=Cc3ccc(Br)cc3)cc2s1)c1ccc(F)cc1 ZINC000100411783 569759410 /nfs/dbraw/zinc/75/94/10/569759410.db2.gz BCFKFTIWQREVMH-BRJLIKDPSA-N 0 0 485.403 6.924 40 30 JKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000100433441 569760989 /nfs/dbraw/zinc/76/09/89/569760989.db2.gz UCMDQEIQXVBTCS-FSGOGVSDSA-N 0 0 472.654 7.019 40 30 JKEBRN O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000100457514 569761500 /nfs/dbraw/zinc/76/15/00/569761500.db2.gz YNWPMORPGCYKPS-STBIYBPSSA-N 0 0 480.614 7.395 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3O)c2-c2ccccc2)cc1 ZINC000100456568 569761511 /nfs/dbraw/zinc/76/15/11/569761511.db2.gz QFZRCNOTRTVMDJ-TWKHWXDSSA-N 0 0 459.505 7.176 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100477337 569761848 /nfs/dbraw/zinc/76/18/48/569761848.db2.gz LMUGPZXKYOOZGW-HXNPFYCNSA-N 0 0 473.554 6.792 40 30 JKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1Sc1nc2ccccc2o1 ZINC000100474772 569761855 /nfs/dbraw/zinc/76/18/55/569761855.db2.gz NGGKPJASXFJUPY-JFLMPSFJSA-N 0 0 465.490 7.537 40 30 JKEBRN O=[N+]([O-])c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000100481436 569761906 /nfs/dbraw/zinc/76/19/06/569761906.db2.gz IRYCBWCJZFHOPQ-AJBULDERSA-N 0 0 477.951 8.124 40 30 JKEBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCS1 ZINC000100482293 569761908 /nfs/dbraw/zinc/76/19/08/569761908.db2.gz QHQHQKNIALTGBM-FIFLTTCUSA-N 0 0 468.512 5.059 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4cc(Cl)ccc4Cl)sc3c2)c1 ZINC000100481872 569761950 /nfs/dbraw/zinc/76/19/50/569761950.db2.gz DODUGNRQAPOXJI-BHGWPJFGSA-N 0 0 474.394 7.554 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100480926 569761961 /nfs/dbraw/zinc/76/19/61/569761961.db2.gz DGWWNMQQKYFNES-HXNPFYCNSA-N 0 0 473.554 6.792 40 30 JKEBRN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2ccc3c(c2)OCCO3)N(CC)C1=O ZINC000100497587 569762456 /nfs/dbraw/zinc/76/24/56/569762456.db2.gz FTZKRQJKWXWRTI-DEWBEJTISA-N 0 0 465.600 5.398 40 30 JKEBRN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2ccc([N+](=O)[O-])cc2)N(CC)C1=O ZINC000100534838 569763857 /nfs/dbraw/zinc/76/38/57/569763857.db2.gz MKKWIWWIKUWJMD-SRDPJFOASA-N 0 0 452.561 5.535 40 30 JKEBRN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\C3CCCCC3)N(C3CCCCC3)C1=O)S2 ZINC000100549869 569764190 /nfs/dbraw/zinc/76/41/90/569764190.db2.gz OEMYHVNCLWNJPL-QDJRPKQISA-N 0 0 457.665 6.003 40 30 JKEBRN O=C(Nc1cccc(/N=C\c2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccccc1 ZINC000100554246 569764449 /nfs/dbraw/zinc/76/44/49/569764449.db2.gz SERYNPDZLRAPAC-MIXAMLLLSA-N 0 0 485.381 6.748 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100556912 569764478 /nfs/dbraw/zinc/76/44/78/569764478.db2.gz FUEPIRKBOKHUFN-AGHKFTSRSA-N 0 0 460.515 5.068 40 30 JKEBRN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000100597668 569765414 /nfs/dbraw/zinc/76/54/14/569765414.db2.gz MTHOMJKKJPYPHK-BJFGDUBASA-N 0 0 491.584 5.113 40 30 JKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000100593510 569765427 /nfs/dbraw/zinc/76/54/27/569765427.db2.gz HPBUSKYDRCOZPM-HRFSGMKKSA-N 0 0 491.584 5.114 40 30 JKEBRN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000100611981 569765579 /nfs/dbraw/zinc/76/55/79/569765579.db2.gz SGYJSKNZLWYOIF-HNNXBMFYSA-N 0 0 459.270 5.799 40 30 JKEBRN C=C([NH+]=C1C=CC(=NNc2ccccc2)C(C)=C1C)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100643616 569766043 /nfs/dbraw/zinc/76/60/43/569766043.db2.gz ADTYCGVDEKCDLS-VJIMYQDWSA-N 0 0 486.575 7.869 40 30 JKEBRN CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)c1c(O)ccc2ccccc21 ZINC000100711852 569767490 /nfs/dbraw/zinc/76/74/90/569767490.db2.gz HSVWVJCZRWETLY-OKCVXOCRSA-N 0 0 483.369 6.754 40 30 JKEBRN COc1c2c(cc3c1[C@H](CC(=O)/C=C\C=C(/C)CCC1=C(C)CCCC1(C)C)N(C)CC3)OCO2 ZINC000100745050 569768656 /nfs/dbraw/zinc/76/86/56/569768656.db2.gz MURVJQSDIIPTEC-ORQJGDMESA-N 0 0 479.661 6.721 40 30 JKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/c1cccc2ccccc21 ZINC000100872348 569773069 /nfs/dbraw/zinc/77/30/69/569773069.db2.gz BZGCTRIDEXCQDG-RTGZZVAKSA-N 0 0 494.414 5.749 40 30 JKEBRN CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCOC(C)=O ZINC000100923474 569775958 /nfs/dbraw/zinc/77/59/58/569775958.db2.gz NGWRIQMWHOPTKN-UHFFFAOYSA-N 0 0 480.818 10.281 40 30 JKEBRN CCCCCCCC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1C(=O)N(c2ccccc2)N=C1C ZINC000100923962 569776037 /nfs/dbraw/zinc/77/60/37/569776037.db2.gz STCRDOTXYCPADV-CTHAODRQSA-N 0 0 480.525 5.670 40 30 JKEBRN CCCCCCCCCC(=O)c1ccc(OCCCCCCCC)cc1OCCCCCCCC ZINC000100925761 569776080 /nfs/dbraw/zinc/77/60/80/569776080.db2.gz BNWRQKBHUGKUBJ-UHFFFAOYSA-N 0 0 488.797 10.489 40 30 JKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000036478565 569776179 /nfs/dbraw/zinc/77/61/79/569776179.db2.gz FAEWVOLCLOHYPP-ZRGSRPPYSA-N 0 0 494.762 6.979 40 30 JKEBRN CCCCCCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N ZINC000100931356 569776314 /nfs/dbraw/zinc/77/63/14/569776314.db2.gz CNAYMXPEMBYLGQ-UHFFFAOYSA-N 0 0 453.718 6.378 40 30 JKEBRN CCCCCCCCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N ZINC000100934587 569776432 /nfs/dbraw/zinc/77/64/32/569776432.db2.gz XVVBKIVPZCYAMS-UHFFFAOYSA-N 0 0 481.772 7.158 40 30 JKEBRN O=P1(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC=CC1 ZINC000100942050 569777000 /nfs/dbraw/zinc/77/70/00/569777000.db2.gz SXWYDTNGIYRJMF-UHFFFAOYSA-N 0 0 450.131 5.590 40 30 JKEBRN COc1ccc(/C=N/N=c2/scc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000036610884 569777495 /nfs/dbraw/zinc/77/74/95/569777495.db2.gz OHTJJCQHYDENHE-HWXGJFOFSA-N 0 0 483.515 6.177 40 30 JKEBRN CC(C)(C)C(=O)OC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000036612541 569777866 /nfs/dbraw/zinc/77/78/66/569777866.db2.gz IJZCHLHHLXPTNI-UHFFFAOYSA-N 0 0 475.566 5.032 40 30 JKEBRN CCCCCN1C(C(=O)c2ccccc2)=C(OC(=O)C(C)(C)C)c2ccccc2S1(=O)=O ZINC000036612776 569777939 /nfs/dbraw/zinc/77/79/39/569777939.db2.gz GOFQFSJIXHZZFJ-UHFFFAOYSA-N 0 0 455.576 5.022 40 30 JKEBRN CCCCCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000036612772 569777994 /nfs/dbraw/zinc/77/79/94/569777994.db2.gz MFCRWTQPDSAJOJ-UHFFFAOYSA-N 0 0 493.556 5.429 40 30 JKEBRN C=CCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000100972593 569778230 /nfs/dbraw/zinc/77/82/30/569778230.db2.gz GEWXYKHBMZIZEY-IMVLJIQESA-N 0 0 494.569 5.051 40 30 JKEBRN CCCCCCCCCCOc1ccc(/C(=N/OC(C)=O)c2ccccc2)c(OC(C)=O)c1 ZINC000100981566 569778509 /nfs/dbraw/zinc/77/85/09/569778509.db2.gz BGDZZPFCTFPGRH-BYYHNAKLSA-N 0 0 453.579 6.447 40 30 JKEBRN CCOc1cc(/C=N/N=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc(Cl)c1OC(C)C ZINC000036624073 569778669 /nfs/dbraw/zinc/77/86/69/569778669.db2.gz DWNWJRRAPVOWTH-OCHFTUDZSA-N 0 0 481.420 6.818 40 30 JKEBRN CCCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCCC ZINC000101005476 569778905 /nfs/dbraw/zinc/77/89/05/569778905.db2.gz IFPCGPIWUDJDGN-UHFFFAOYSA-N 0 0 468.763 9.085 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 ZINC000101007234 569778982 /nfs/dbraw/zinc/77/89/82/569778982.db2.gz PILOANIFQNYLKM-JOCHJYFZSA-N 0 0 452.580 5.818 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000101007286 569778984 /nfs/dbraw/zinc/77/89/84/569778984.db2.gz OOTDXNSEHZZMPT-QHCPKHFHSA-N 0 0 466.607 6.121 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-2 ZINC000101007178 569778987 /nfs/dbraw/zinc/77/89/87/569778987.db2.gz GXJBDVKJQOBCKQ-OAQYLSRUSA-N 0 0 485.997 6.666 40 30 JKEBRN CCCCCCCCOc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000101011265 569779098 /nfs/dbraw/zinc/77/90/98/569779098.db2.gz KMVCLEKCBDDGHF-BWAHOGKJSA-N 0 0 497.682 7.043 40 30 JKEBRN CCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 ZINC000036628888 569779243 /nfs/dbraw/zinc/77/92/43/569779243.db2.gz NZMYORIDBJDXRE-FMIVXFBMSA-N 0 0 476.964 5.121 40 30 JKEBRN CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)cc1 ZINC000036629206 569779398 /nfs/dbraw/zinc/77/93/98/569779398.db2.gz YINMLQWTYQCPPT-JLHYYAGUSA-N 0 0 474.992 5.630 40 30 JKEBRN O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)/C(=N/Nc2ccc(Cl)cc2)S1 ZINC000036633743 569779466 /nfs/dbraw/zinc/77/94/66/569779466.db2.gz ZTNHUUGORXJTPZ-CEUZYJICSA-N 0 0 475.961 5.888 40 30 JKEBRN O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)/C(=N/Nc2ccc(Cl)cc2)S1 ZINC000036633785 569779537 /nfs/dbraw/zinc/77/95/37/569779537.db2.gz RIRVNBHSGAOYOO-PDQUCZHJSA-N 0 0 494.407 6.835 40 30 JKEBRN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC000036724533 569780393 /nfs/dbraw/zinc/78/03/93/569780393.db2.gz LHCLXQPNGGHNII-NRFANRHFSA-N 0 0 470.360 5.217 40 30 JKEBRN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccc(Cl)cc4)O[C@@H]3C1=O)CCCC2 ZINC000101125927 569783670 /nfs/dbraw/zinc/78/36/70/569783670.db2.gz HZEMEAFFKBPSFH-VJBWXMMDSA-N 0 0 489.984 5.203 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000101132459 569783990 /nfs/dbraw/zinc/78/39/90/569783990.db2.gz XLPKAUDSAPXLJO-ASIDMNOUSA-N 0 0 474.152 6.124 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cc2ccccc2o1 ZINC000101191910 569786731 /nfs/dbraw/zinc/78/67/31/569786731.db2.gz HTGSSWMXYIIECW-UHFFFAOYSA-N 0 0 454.939 5.270 40 30 JKEBRN O=C(CCC1CCCC1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304870 569790824 /nfs/dbraw/zinc/79/08/24/569790824.db2.gz ZIVNFAZXSCYDSC-LPIXQNDASA-N 0 0 484.643 5.051 40 30 JKEBRN COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)cc2)=C2SCCCS2)cc1 ZINC000101461094 569798512 /nfs/dbraw/zinc/79/85/12/569798512.db2.gz SYOWCQPWVOCCED-VOMDNODZSA-N 0 0 452.597 5.650 40 30 JKEBRN Cc1cc(Br)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000038162482 569799602 /nfs/dbraw/zinc/79/96/02/569799602.db2.gz FQXHUWCEDGLMGI-NGYBGAFCSA-N 0 0 463.951 5.444 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000038162403 569799634 /nfs/dbraw/zinc/79/96/34/569799634.db2.gz DCVHZLGESRMZQC-NGYBGAFCSA-N 0 0 479.950 5.145 40 30 JKEBRN Cc1ccc(-c2nnc(N=NC3=CC(c4ccccc4)[C@@](O)(c4ccccc4)C3)c3ccccc32)cc1C ZINC000038173210 569799992 /nfs/dbraw/zinc/79/99/92/569799992.db2.gz WQSIZVYOBOVCLD-GQDSHGATSA-N 0 0 496.614 7.057 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Br)c4O)c3)nc2c1 ZINC000038180038 569800261 /nfs/dbraw/zinc/80/02/61/569800261.db2.gz DGPMDQYQHARJSU-NKZWWHGNSA-N 0 0 463.375 7.535 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(OC)c4O)c3)nc2c1 ZINC000038180021 569800263 /nfs/dbraw/zinc/80/02/63/569800263.db2.gz VACSTMDXPYOUAA-FYDYWCEBSA-N 0 0 479.374 7.236 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(C)c4O)c3)nc2c1 ZINC000038180035 569800265 /nfs/dbraw/zinc/80/02/65/569800265.db2.gz HDCIVACANLAUAR-FYDYWCEBSA-N 0 0 463.375 7.535 40 30 JKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000038186850 569800482 /nfs/dbraw/zinc/80/04/82/569800482.db2.gz ISBNBHDLTSIZJO-PRBCJXKZSA-N 0 0 457.617 8.086 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1cc(Br)ccc1O ZINC000038187749 569800540 /nfs/dbraw/zinc/80/05/40/569800540.db2.gz MGLHSMIYBKKKQN-UHFFFAOYSA-N 0 0 495.349 5.268 40 30 JKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1O ZINC000101501884 569801049 /nfs/dbraw/zinc/80/10/49/569801049.db2.gz RMNGJXCIEGDQLO-TVEVAFHQSA-N 0 0 462.615 6.616 40 30 JKEBRN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)cc1OCC ZINC000101633096 569802192 /nfs/dbraw/zinc/80/21/92/569802192.db2.gz FAPKGQQSNATOIR-VJNRNXQMSA-N 0 0 489.641 5.712 40 30 JKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N/c1cccc(Cl)c1 ZINC000101662019 569802595 /nfs/dbraw/zinc/80/25/95/569802595.db2.gz HLZHNCFGCYIGQO-UAPGPWSHSA-N 0 0 457.983 5.275 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000101892214 569807319 /nfs/dbraw/zinc/80/73/19/569807319.db2.gz GJAFDNHSYLPRTH-KIOJSIHTSA-N 0 0 476.642 6.919 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(Cl)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000101892176 569807321 /nfs/dbraw/zinc/80/73/21/569807321.db2.gz WFELPIXASRSYHE-TVEVAFHQSA-N 0 0 451.035 7.555 40 30 JKEBRN Cc1cc(C)cc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000101895565 569807681 /nfs/dbraw/zinc/80/76/81/569807681.db2.gz JIUDZTWPYXGFCY-BYCLXTJYSA-N 0 0 454.530 5.419 40 30 JKEBRN O=C1/C(=N/c2ccc(F)c(C(F)(F)F)c2)c2ccccc2N1CN1CCN(Cc2ccccc2)CC1 ZINC000039379111 569809638 /nfs/dbraw/zinc/80/96/38/569809638.db2.gz GPCANKFLRZWGRG-WGPBWIAQSA-N 0 0 496.508 5.087 40 30 JKEBRN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)N(C)C2=S)cc1C ZINC000039556658 569810610 /nfs/dbraw/zinc/81/06/10/569810610.db2.gz QUATXGDMAANKGF-DICXZTSXSA-N 0 0 476.605 5.783 40 30 JKEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000040032984 569814402 /nfs/dbraw/zinc/81/44/02/569814402.db2.gz UUJMQXUTWBTPAX-OXWVMCNISA-N 0 0 494.591 5.023 40 30 JKEBRN O=C(/N=C1\S[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000102940814 569829508 /nfs/dbraw/zinc/82/95/08/569829508.db2.gz JTLAUDHMFUOZJE-HNWIBAKRSA-N 0 0 456.976 5.015 40 30 JKEBRN CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000102945608 569829747 /nfs/dbraw/zinc/82/97/47/569829747.db2.gz ZVPVIXHTKDZZMS-ZZIIXHQDSA-N 0 0 483.351 5.543 40 30 JKEBRN COc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2/N=C/c2ccccc2Br)cc1 ZINC000102960070 569829948 /nfs/dbraw/zinc/82/99/48/569829948.db2.gz HPTQWQIZWMCGAY-VVIXMXFOSA-N 0 0 498.833 6.756 40 30 JKEBRN CCN(Cc1ccccc1)c1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000102957468 569829964 /nfs/dbraw/zinc/82/99/64/569829964.db2.gz COGSECPLCTYTJK-AJBULDERSA-N 0 0 461.634 8.049 40 30 JKEBRN COc1cc(/C=N/n2c(-c3ccc(F)cc3)cs/c2=N/c2ccc(F)cc2F)cc(OC)c1OC ZINC000102959554 569829969 /nfs/dbraw/zinc/82/99/69/569829969.db2.gz BENZFJUZKUCVDV-UBULPZRHSA-N 0 0 499.514 5.774 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(/C(C)=N/O)cc3)cc2)cc1 ZINC000103012450 569831610 /nfs/dbraw/zinc/83/16/10/569831610.db2.gz OWVYKEKXZBMFNT-FEBMMXQDSA-N 0 0 486.612 7.594 40 30 JKEBRN CCCCCCCCCOC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000103008729 569831647 /nfs/dbraw/zinc/83/16/47/569831647.db2.gz HHHLULUHBGEEKM-RXFVIIJJSA-N 0 0 466.659 5.999 40 30 JKEBRN CCCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCCCCCC)cc3)ncn2)cc1 ZINC000103012869 569831741 /nfs/dbraw/zinc/83/17/41/569831741.db2.gz XTVZTSDOTZCDSW-UHFFFAOYSA-N 0 0 488.716 9.289 40 30 JKEBRN Cc1ccc(/N=C2/SCC(C)(C)N2C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 ZINC000103028570 569832019 /nfs/dbraw/zinc/83/20/19/569832019.db2.gz ZFFKZBQQWLZDQG-ORIPQNMZSA-N 0 0 483.593 5.759 40 30 JKEBRN COc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000103027061 569832020 /nfs/dbraw/zinc/83/20/20/569832020.db2.gz KVYAWCQSBNFYRU-LCUIJRPUSA-N 0 0 493.610 6.410 40 30 JKEBRN CC[C@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000103029173 569832110 /nfs/dbraw/zinc/83/21/10/569832110.db2.gz YOGQHUMCTCFWDO-HNQMNILESA-N 0 0 490.606 5.028 40 30 JKEBRN C=CC(=O)OC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103548242 569836080 /nfs/dbraw/zinc/83/60/80/569836080.db2.gz KUVDUNSKDMCXHU-YFKPBYRVSA-N 0 0 470.128 5.021 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccco3)CCCC4)o2)c([N+](=O)[O-])c1 ZINC000103583448 569836390 /nfs/dbraw/zinc/83/63/90/569836390.db2.gz MOJQUSWQYZDCFT-MBTHVWNTSA-N 0 0 489.553 6.377 40 30 JKEBRN CN(C)C(=O)/N=C1\SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000103711589 569837244 /nfs/dbraw/zinc/83/72/44/569837244.db2.gz ZCBSOWHXFXLHIB-IJLFFHQCSA-N 0 0 472.530 5.646 40 30 JKEBRN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103757120 569837752 /nfs/dbraw/zinc/83/77/52/569837752.db2.gz LUTBMUPTQJUGGZ-UHFFFAOYSA-N 0 0 486.334 5.832 40 30 JKEBRN CCCCCCCCOC(=O)[C@@H](C)OC(=O)CCC(=O)O[C@@H](C)C(=O)OCCCCCCCC ZINC000104049839 569840134 /nfs/dbraw/zinc/84/01/34/569840134.db2.gz WYULLQCMLGOUFW-SZPZYZBQSA-N 0 0 486.646 5.437 40 30 JKEBRN CCCCCCCCCc1nc(CCCCCCCCC)nc(CCCCCCCCC)n1 ZINC000104049958 569840182 /nfs/dbraw/zinc/84/01/82/569840182.db2.gz FFJWZOAZOFYZLK-UHFFFAOYSA-N 0 0 459.807 9.751 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(/N=C\c2ccccc2Cl)cc1 ZINC000104066256 569840278 /nfs/dbraw/zinc/84/02/78/569840278.db2.gz 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30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3n2CC)cc(Br)c1OCc1ccccc1 ZINC000408692790 570015644 /nfs/dbraw/zinc/01/56/44/570015644.db2.gz VMSMMPNVARMDFV-JVWAILMASA-N 0 0 493.405 6.242 40 30 JKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccccc2I)c1C ZINC000408692943 570015758 /nfs/dbraw/zinc/01/57/58/570015758.db2.gz YYADQPYEBAJPRG-ZVHZXABRSA-N 0 0 483.357 5.514 40 30 JKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000408702773 570022764 /nfs/dbraw/zinc/02/27/64/570022764.db2.gz QSRXYJXDQNLOPS-HSZRJFAPSA-N 0 0 466.534 5.112 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1OC ZINC000408705998 570024910 /nfs/dbraw/zinc/02/49/10/570024910.db2.gz SKSYPOYQGIKDPA-UHFFFAOYSA-N 0 0 491.396 5.784 40 30 JKEBRN N#CC1(c2ccc(NC(=O)c3ccc4c(c3)CCCN4S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000225863542 570025448 /nfs/dbraw/zinc/02/54/48/570025448.db2.gz BKBSFEXTNMLLBE-UHFFFAOYSA-N 0 0 492.000 5.289 40 30 JKEBRN N#Cc1c(/N=C/c2ccc3c(c2)OCO3)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000408718980 570026103 /nfs/dbraw/zinc/02/61/03/570026103.db2.gz CZNGVKIUUIUCGE-VPUKRXIYSA-N 0 0 480.432 5.422 40 30 JKEBRN COc1cc(/C=N/c2oc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)c2C#N)ccc1O ZINC000408719008 570026216 /nfs/dbraw/zinc/02/62/16/570026216.db2.gz FIJQONRNQKFOMJ-XKJRVUDJSA-N 0 0 482.448 5.407 40 30 JKEBRN COc1c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408721083 570026634 /nfs/dbraw/zinc/02/66/34/570026634.db2.gz KHQZFGLNMSXOBI-AXBKCQHESA-N 0 0 476.470 5.320 40 30 JKEBRN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1O ZINC000408721464 570026817 /nfs/dbraw/zinc/02/68/17/570026817.db2.gz QZRJEBVQAKMMFC-KIBLKLHPSA-N 0 0 491.172 6.535 40 30 JKEBRN COc1c(OC(C)=O)ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000408721340 570026838 /nfs/dbraw/zinc/02/68/38/570026838.db2.gz PIHPNODOXLCXBU-XECRPNIISA-N 0 0 489.509 5.337 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408721391 570026846 /nfs/dbraw/zinc/02/68/46/570026846.db2.gz QJKKXFYGBARTGM-XKZIYDEJSA-N 0 0 491.525 5.540 40 30 JKEBRN O=C(Oc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000408721466 570026865 /nfs/dbraw/zinc/02/68/65/570026865.db2.gz RAZOMKZIMYOGOD-WTRWIGKXSA-N 0 0 476.557 6.714 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cc(OC)c(OC)c(OC)c3)sc2-c2ccccc2)cc1 ZINC000408721849 570027094 /nfs/dbraw/zinc/02/70/94/570027094.db2.gz ALNVBFPJHUVHOI-JVWAILMASA-N 0 0 460.555 6.262 40 30 JKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722058 570027102 /nfs/dbraw/zinc/02/71/02/570027102.db2.gz CRLGYTNAAJUGFE-OGLMXYFKSA-N 0 0 492.000 7.968 40 30 JKEBRN CN(C)c1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1[N+](=O)[O-] ZINC000408721798 570027168 /nfs/dbraw/zinc/02/71/68/570027168.db2.gz YVDNKQQFTUZBKI-SSDVNMTOSA-N 0 0 454.284 5.082 40 30 JKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc(OCc4ccccc4Cl)cc3)sc1CC2 ZINC000408722056 570027189 /nfs/dbraw/zinc/02/71/89/570027189.db2.gz CRDNOGJXKXXIKJ-RWPZCVJISA-N 0 0 460.986 6.900 40 30 JKEBRN CCCCCCCCCCCOC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408722145 570027191 /nfs/dbraw/zinc/02/71/91/570027191.db2.gz PDUAVTMTYATPSG-UHFFFAOYSA-N 0 0 478.636 8.777 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3OC)sc2-c2ccc(OC)cc2)cc1 ZINC000408722078 570027223 /nfs/dbraw/zinc/02/72/23/570027223.db2.gz DCEAJABYWRKAAB-JVWAILMASA-N 0 0 460.555 6.262 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3cccc4ccccc34)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408722570 570027264 /nfs/dbraw/zinc/02/72/64/570027264.db2.gz KXNCCODYRIRBGJ-STBIYBPSSA-N 0 0 463.562 7.906 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3ccc(OC)cc3OC)sc2-c2ccc(OC)cc2)cc1 ZINC000408722276 570027290 /nfs/dbraw/zinc/02/72/90/570027290.db2.gz GFLDPXVGSFTCET-JVWAILMASA-N 0 0 460.555 6.262 40 30 JKEBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(C=Nc2ccccc2)c2ccccc21 ZINC000408722674 570027449 /nfs/dbraw/zinc/02/74/49/570027449.db2.gz VSPPZSLEJIZDMM-SVTQWHLGSA-N 0 0 499.526 5.548 40 30 JKEBRN COc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000408723441 570027478 /nfs/dbraw/zinc/02/74/78/570027478.db2.gz UWDJZIGTEQHNRD-CVKSISIWSA-N 0 0 475.526 6.162 40 30 JKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(OCc4ccccc4Cl)cc3)nc1-2 ZINC000408723569 570027500 /nfs/dbraw/zinc/02/75/00/570027500.db2.gz WQEHEXIWRSLBSC-UVHMKAGCSA-N 0 0 462.958 6.694 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 ZINC000408723234 570027516 /nfs/dbraw/zinc/02/75/16/570027516.db2.gz RPHOCDXNTOZWLR-JFLMPSFJSA-N 0 0 473.554 6.770 40 30 JKEBRN COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c([N+](=O)[O-])cc1OC ZINC000408723203 570027542 /nfs/dbraw/zinc/02/75/42/570027542.db2.gz PRIDXTOWOLUYDT-LQKURTRISA-N 0 0 453.454 6.161 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723220 570027563 /nfs/dbraw/zinc/02/75/63/570027563.db2.gz RJDLVZWCGOHVLP-CVKSISIWSA-N 0 0 475.526 6.162 40 30 JKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)c(OC)c3)OC2)c2ccccc12 ZINC000225918425 570027594 /nfs/dbraw/zinc/02/75/94/570027594.db2.gz YBOJKAWVYDVYIK-UHFFFAOYSA-N 0 0 463.530 5.112 40 30 JKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Br)cc3)OC2)c2ccccc12 ZINC000225918918 570027596 /nfs/dbraw/zinc/02/75/96/570027596.db2.gz BWNMQHYEJDSOQY-UHFFFAOYSA-N 0 0 482.374 5.858 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)c(C)c1 ZINC000408723895 570027723 /nfs/dbraw/zinc/02/77/23/570027723.db2.gz ZRMDPVYREVLCEB-WSDLNYQXSA-N 0 0 490.497 5.804 40 30 JKEBRN O=C1/C(=C/c2cccc(OCc3ccccc3)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408724844 570027919 /nfs/dbraw/zinc/02/79/19/570027919.db2.gz DSUHOMPSFLUZOX-WITODYBWSA-N 0 0 490.628 6.938 40 30 JKEBRN C=CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)c2ccccc12 ZINC000225923841 570027956 /nfs/dbraw/zinc/02/79/56/570027956.db2.gz ZQAYVNVLWCWYGP-UHFFFAOYSA-N 0 0 490.984 5.034 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408726389 570028118 /nfs/dbraw/zinc/02/81/18/570028118.db2.gz REZIYHVLNZNZLL-SHSCQTOKSA-N 0 0 463.400 6.875 40 30 JKEBRN C=CCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000408726693 570028156 /nfs/dbraw/zinc/02/81/56/570028156.db2.gz UZPMBWDFYVWKCE-UHFFFAOYSA-N 0 0 496.563 5.850 40 30 JKEBRN COc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)ccc1OCc1ccccc1 ZINC000408726884 570028226 /nfs/dbraw/zinc/02/82/26/570028226.db2.gz WFLPIZIXINUTLA-OKCVXOCRSA-N 0 0 462.505 5.156 40 30 JKEBRN COc1ccc(-c2oc(/N=C/c3cc4c(cc3Cl)OCO4)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408727048 570028255 /nfs/dbraw/zinc/02/82/55/570028255.db2.gz DEXCPFVBAKIGDK-AMVVHIIESA-N 0 0 486.911 6.635 40 30 JKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12 ZINC000225934369 570028373 /nfs/dbraw/zinc/02/83/73/570028373.db2.gz SNVHVVVXQSKNOU-UHFFFAOYSA-N 0 0 453.969 6.733 40 30 JKEBRN Brc1ccc(C=CC=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000408728237 570028512 /nfs/dbraw/zinc/02/85/12/570028512.db2.gz XQYCNLVCVMCLQN-MASRVGJZSA-N 0 0 486.377 5.076 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=S ZINC000408728962 570028599 /nfs/dbraw/zinc/02/85/99/570028599.db2.gz BHJUSOFVSGXSGN-XMHGGMMESA-N 0 0 483.376 5.983 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408728930 570028620 /nfs/dbraw/zinc/02/86/20/570028620.db2.gz WJFHNDNREONVGH-QXUDOOCXSA-N 0 0 488.974 8.468 40 30 JKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000408729243 570028689 /nfs/dbraw/zinc/02/86/89/570028689.db2.gz AQXNDPZHAVIUEZ-LVZFUZTISA-N 0 0 484.555 7.924 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2cccc(Br)c2)o1)CCCC3 ZINC000408729192 570028730 /nfs/dbraw/zinc/02/87/30/570028730.db2.gz AJMJCTGTGSLRPI-BHGWPJFGSA-N 0 0 454.349 5.242 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1OCC ZINC000408729669 570028850 /nfs/dbraw/zinc/02/88/50/570028850.db2.gz HSEOCTARUQNSBR-TURZUDJPSA-N 0 0 476.598 5.148 40 30 JKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc(Cl)cc1Cl ZINC000408730734 570029028 /nfs/dbraw/zinc/02/90/28/570029028.db2.gz UUQAFOBHJCUTQC-UHFFFAOYSA-N 0 0 499.398 6.139 40 30 JKEBRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C/C(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000408731064 570029106 /nfs/dbraw/zinc/02/91/06/570029106.db2.gz ISDWYCKBKSUWCG-ZBJSNUHESA-N 0 0 497.594 7.802 40 30 JKEBRN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000408731410 570029208 /nfs/dbraw/zinc/02/92/08/570029208.db2.gz KHIPERKYEVCGOO-OAHLVZFQSA-N 0 0 481.165 6.730 40 30 JKEBRN Clc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c(Cl)c1 ZINC000408731971 570029417 /nfs/dbraw/zinc/02/94/17/570029417.db2.gz NRCGFEFXRZLUPK-UZWMFBFFSA-N 0 0 467.399 8.869 40 30 JKEBRN Cc1ccc(C(=O)/C=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000408732608 570029531 /nfs/dbraw/zinc/02/95/31/570029531.db2.gz SLNLOJOVSUGMCO-ZBJSNUHESA-N 0 0 453.585 8.324 40 30 JKEBRN Brc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408733254 570029733 /nfs/dbraw/zinc/02/97/33/570029733.db2.gz WRZBRMNWERJRSG-NJZRLIGZSA-N 0 0 477.405 8.324 40 30 JKEBRN O=C(Oc1ccc2ccccc2c1/C=N/c1ccccc1F)c1sc2ccccc2c1Cl ZINC000408733392 570029782 /nfs/dbraw/zinc/02/97/82/570029782.db2.gz IBKKLUDCBTUNOU-WKULSOCRSA-N 0 0 459.929 7.817 40 30 JKEBRN O=C(Oc1ccc2ccccc2c1/C=N/c1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000408733784 570029830 /nfs/dbraw/zinc/02/98/30/570029830.db2.gz QSSBSUFONFNRDA-WKULSOCRSA-N 0 0 459.929 7.817 40 30 JKEBRN CCOc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408734248 570029871 /nfs/dbraw/zinc/02/98/71/570029871.db2.gz LYNOIKOFXPSMFZ-RWPZCVJISA-N 0 0 477.969 7.126 40 30 JKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408734666 570029953 /nfs/dbraw/zinc/02/99/53/570029953.db2.gz BOFRTLVNKXFJFD-NHDPSOOVSA-N 0 0 450.428 5.633 40 30 JKEBRN O=C1CSC(=N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)N1 ZINC000408735169 570030163 /nfs/dbraw/zinc/03/01/63/570030163.db2.gz KXPVJAFTDFWZGZ-GEVRCRHISA-N 0 0 463.173 5.432 40 30 JKEBRN Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408735487 570030190 /nfs/dbraw/zinc/03/01/90/570030190.db2.gz SRYGCKPRHURVRA-UHFFFAOYSA-N 0 0 460.628 6.162 40 30 JKEBRN COc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1OCc1ccc(C)cc1 ZINC000408735707 570030281 /nfs/dbraw/zinc/03/02/81/570030281.db2.gz VNBCPICIOCFVAG-VNTWQREPSA-N 0 0 486.387 6.604 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1 ZINC000408737005 570030653 /nfs/dbraw/zinc/03/06/53/570030653.db2.gz GIIRSZUEDVDTNY-NJZRLIGZSA-N 0 0 457.533 6.818 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1Cl ZINC000408737010 570030672 /nfs/dbraw/zinc/03/06/72/570030672.db2.gz GLNYPJQKHFFPQL-CCVNUDIWSA-N 0 0 498.435 7.541 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408736991 570030678 /nfs/dbraw/zinc/03/06/78/570030678.db2.gz FTTVDRQTFFPNGJ-NJZRLIGZSA-N 0 0 459.549 6.878 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 ZINC000408736894 570030683 /nfs/dbraw/zinc/03/06/83/570030683.db2.gz BXNDUDTVCVDRHE-VULFUBBASA-N 0 0 492.398 6.546 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408737012 570030695 /nfs/dbraw/zinc/03/06/95/570030695.db2.gz GLTZNJKDJDFJFV-TWKHWXDSSA-N 0 0 488.503 6.417 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Br)cc4)cs3)cc2)c1 ZINC000408737123 570030720 /nfs/dbraw/zinc/03/07/20/570030720.db2.gz KGRGBNCYECRDKI-VULFUBBASA-N 0 0 492.398 6.546 40 30 JKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408737454 570030768 /nfs/dbraw/zinc/03/07/68/570030768.db2.gz AVPRKMYLZRDNAE-HGBAPNSDSA-N 0 0 451.482 5.187 40 30 JKEBRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000408737212 570030781 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O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408776982 570040408 /nfs/dbraw/zinc/04/04/08/570040408.db2.gz SVGBWBWUPRBXEH-CXUHLZMHSA-N 0 0 484.191 7.452 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(I)c(C)c1 ZINC000408777156 570040557 /nfs/dbraw/zinc/04/05/57/570040557.db2.gz VZYWGVFHCAJFMX-FMCGGJTJSA-N 0 0 493.186 6.520 40 30 JKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1)c1ccc(Br)cc1 ZINC000408777586 570040564 /nfs/dbraw/zinc/04/05/64/570040564.db2.gz CORYVBYRVCYDLC-LSHDLFTRSA-N 0 0 488.190 5.578 40 30 JKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408777583 570040578 /nfs/dbraw/zinc/04/05/78/570040578.db2.gz CMXLCDIRSGMELV-FSJBWODESA-N 0 0 464.734 6.111 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000408779044 570040896 /nfs/dbraw/zinc/04/08/96/570040896.db2.gz PSEGCLVWHWYQFC-QQXSKIMKSA-N 0 0 470.569 5.597 40 30 JKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)c2c1 ZINC000408779043 570040981 /nfs/dbraw/zinc/04/09/81/570040981.db2.gz PRDRXSOMIJDRMC-BKUYFWCQSA-N 0 0 487.408 6.836 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)cc1 ZINC000408780023 570041257 /nfs/dbraw/zinc/04/12/57/570041257.db2.gz QDGMPVUFUMXMCH-QFEZKATASA-N 0 0 486.353 5.934 40 30 JKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000408780148 570041416 /nfs/dbraw/zinc/04/14/16/570041416.db2.gz TVPNARCGRFPVMQ-QQXSKIMKSA-N 0 0 454.570 5.897 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC#N ZINC000408781078 570041538 /nfs/dbraw/zinc/04/15/38/570041538.db2.gz RGMMFKUSDIHQMU-QFXXMJIKSA-N 0 0 484.419 5.242 40 30 JKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(I)cc1 ZINC000408781998 570041855 /nfs/dbraw/zinc/04/18/55/570041855.db2.gz GCOZWVVABZFPDW-WSDLNYQXSA-N 0 0 479.159 6.212 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408782238 570042025 /nfs/dbraw/zinc/04/20/25/570042025.db2.gz GATXXXGVGHBQTC-XKZIYDEJSA-N 0 0 480.431 6.365 40 30 JKEBRN Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000408782381 570042082 /nfs/dbraw/zinc/04/20/82/570042082.db2.gz GMCKWXPVHGLWCY-OPEKNORGSA-N 0 0 456.873 5.489 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1-c1cccnc1 ZINC000408783651 570042319 /nfs/dbraw/zinc/04/23/19/570042319.db2.gz PPNDRWWCWQVPSF-ODLFYWEKSA-N 0 0 453.365 5.143 40 30 JKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(I)cc1 ZINC000408783411 570042321 /nfs/dbraw/zinc/04/23/21/570042321.db2.gz LBZHTUQKYNINDS-MFKUBSTISA-N 0 0 450.323 6.603 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)cc1 ZINC000408784469 570042574 /nfs/dbraw/zinc/04/25/74/570042574.db2.gz CGAAINDRURDCKS-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408784577 570042634 /nfs/dbraw/zinc/04/26/34/570042634.db2.gz VCWQWLSXJDLSTO-FBHDLOMBSA-N 0 0 466.950 5.856 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408784586 570042647 /nfs/dbraw/zinc/04/26/47/570042647.db2.gz VJRBZILETWIKBX-ASZNLBCTSA-N 0 0 491.056 6.810 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)c(C)n1-c1cccnc1 ZINC000408785365 570042933 /nfs/dbraw/zinc/04/29/33/570042933.db2.gz YXBBKFJFHVOZAF-OCKHKDLRSA-N 0 0 487.810 5.797 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)S2)cc1 ZINC000408785515 570042974 /nfs/dbraw/zinc/04/29/74/570042974.db2.gz GSIRCBMFUOUKKX-BWAHOGKJSA-N 0 0 465.578 6.353 40 30 JKEBRN Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000408786042 570043078 /nfs/dbraw/zinc/04/30/78/570043078.db2.gz KGMJIILONAXTCU-LUOAPIJWSA-N 0 0 463.843 5.266 40 30 JKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 ZINC000408786283 570043110 /nfs/dbraw/zinc/04/31/10/570043110.db2.gz OHGJKVNNZOYZNO-QFEZKATASA-N 0 0 486.353 5.934 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c(C)n(Cc2cccc(C)c2)c2ccccc21 ZINC000408787435 570043443 /nfs/dbraw/zinc/04/34/43/570043443.db2.gz ACAOSJYECCIHSJ-NDEPHWFRSA-N 0 0 488.587 6.048 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408787167 570043468 /nfs/dbraw/zinc/04/34/68/570043468.db2.gz SUXWCJXYYATXHA-ULJHMMPZSA-N 0 0 469.997 6.998 40 30 JKEBRN COC(=O)Cn1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408788490 570043569 /nfs/dbraw/zinc/04/35/69/570043569.db2.gz DIHGHXSOFCYLIE-MFOYZWKCSA-N 0 0 460.342 5.013 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000408788069 570043580 /nfs/dbraw/zinc/04/35/80/570043580.db2.gz IBXYJYBBUYOUCZ-MHZLTWQESA-N 0 0 474.560 5.739 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCc1ccccc1 ZINC000408788049 570043612 /nfs/dbraw/zinc/04/36/12/570043612.db2.gz AKGPHDBPHOTVOF-GBIJUZDQSA-N 0 0 486.637 6.165 40 30 JKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(OC)c1 ZINC000408788173 570043613 /nfs/dbraw/zinc/04/36/13/570043613.db2.gz BPQMMMWWRDMMMD-FSGOGVSDSA-N 0 0 475.658 6.162 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c(C)n(Cc2ccc(F)cc2)c2ccccc21 ZINC000408789769 570043795 /nfs/dbraw/zinc/04/37/95/570043795.db2.gz LDKYFFYSZHIMGX-MHZLTWQESA-N 0 0 492.550 5.879 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408791108 570043976 /nfs/dbraw/zinc/04/39/76/570043976.db2.gz UEMZPFNZFNHQIH-DEOSSOPVSA-N 0 0 483.524 5.052 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408791223 570044003 /nfs/dbraw/zinc/04/40/03/570044003.db2.gz XJTKHDUNKDRDNA-RQZCQDPDSA-N 0 0 494.743 6.707 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408790934 570044012 /nfs/dbraw/zinc/04/40/12/570044012.db2.gz ZLSCHEGXYRKTKZ-DEOSSOPVSA-N 0 0 483.524 5.052 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c(C)n(Cc2ccccc2F)c2ccccc21 ZINC000408794027 570044172 /nfs/dbraw/zinc/04/41/72/570044172.db2.gz HOJVBUHXLKKKNG-MHZLTWQESA-N 0 0 492.550 5.879 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000408793117 570044186 /nfs/dbraw/zinc/04/41/86/570044186.db2.gz DDRUIZQCKKGKJF-OAQYLSRUSA-N 0 0 463.942 5.826 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000408794218 570044233 /nfs/dbraw/zinc/04/42/33/570044233.db2.gz IIGNFWAOVJEALC-RUZDIDTESA-N 0 0 452.554 5.452 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408798136 570044798 /nfs/dbraw/zinc/04/47/98/570044798.db2.gz UXZIIJSOGRMZPA-AREMUKBSSA-N 0 0 466.581 5.959 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1OC(C)C ZINC000408799854 570045078 /nfs/dbraw/zinc/04/50/78/570045078.db2.gz IMZZGQUWOFLWKT-MBTHVWNTSA-N 0 0 489.081 6.889 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1Cl ZINC000408801945 570046001 /nfs/dbraw/zinc/04/60/01/570046001.db2.gz WXSPOZNEJOQHMI-MIXAMLLLSA-N 0 0 456.929 6.900 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408803553 570046585 /nfs/dbraw/zinc/04/65/85/570046585.db2.gz QKMNTEFSCKMNLB-GLJYNJNUSA-N 0 0 463.623 6.314 40 30 JKEBRN C=CCc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(OCC)c1O ZINC000408803743 570046732 /nfs/dbraw/zinc/04/67/32/570046732.db2.gz SYMAFLJXJOFDSV-MTQQXKHBSA-N 0 0 477.650 6.573 40 30 JKEBRN C=CCc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(OCC)c1O ZINC000408803744 570046751 /nfs/dbraw/zinc/04/67/51/570046751.db2.gz SYMAFLJXJOFDSV-XTEFVFEUSA-N 0 0 477.650 6.573 40 30 JKEBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408803989 570046777 /nfs/dbraw/zinc/04/67/77/570046777.db2.gz BNZVMEPUBCFLLW-UHFFFAOYSA-N 0 0 456.547 5.217 40 30 JKEBRN C=CCOc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC ZINC000408804500 570046965 /nfs/dbraw/zinc/04/69/65/570046965.db2.gz XXUZXRWJFJMDIU-PKAZHMFMSA-N 0 0 452.620 6.013 40 30 JKEBRN COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1C#N ZINC000408805005 570047093 /nfs/dbraw/zinc/04/70/93/570047093.db2.gz IJIAWLZMCCRZFZ-UHFFFAOYSA-N 0 0 460.510 5.048 40 30 JKEBRN COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000408806194 570047541 /nfs/dbraw/zinc/04/75/41/570047541.db2.gz ADXYBJGAGOQJHC-IWIPYMOSSA-N 0 0 467.550 5.368 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NCCc1ccccc1 ZINC000408806181 570047604 /nfs/dbraw/zinc/04/76/04/570047604.db2.gz BAZXTCTXFBQKFX-MNDYBZJGSA-N 0 0 460.883 5.847 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)cc1OCC ZINC000408807536 570047939 /nfs/dbraw/zinc/04/79/39/570047939.db2.gz DDHLNSUNLJNKSE-JAIQZWGSSA-N 0 0 485.949 5.167 40 30 JKEBRN COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1OCC#N ZINC000408807403 570047959 /nfs/dbraw/zinc/04/79/59/570047959.db2.gz CSRUNZYDXPIOGK-UHFFFAOYSA-N 0 0 493.790 5.085 40 30 JKEBRN CCOC(=O)Cn1c(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408807340 570048046 /nfs/dbraw/zinc/04/80/46/570048046.db2.gz BVBKHUQIVRITEK-SSEXGKCCSA-N 0 0 464.565 6.339 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408808095 570048319 /nfs/dbraw/zinc/04/83/19/570048319.db2.gz DCUOGLSCFQXBRB-FMCGGJTJSA-N 0 0 478.404 6.888 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OCC)c2C)SC1=S ZINC000408808402 570048332 /nfs/dbraw/zinc/04/83/32/570048332.db2.gz GHMLBRCOGXRSGL-BOPFTXTBSA-N 0 0 460.646 5.336 40 30 JKEBRN CCOC(=O)COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408809220 570048518 /nfs/dbraw/zinc/04/85/18/570048518.db2.gz RBIVQGKMMBLOKB-YUMHPJSZSA-N 0 0 468.619 5.382 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408809585 570048794 /nfs/dbraw/zinc/04/87/94/570048794.db2.gz IFJSUNIHAFWNRX-QRVIBDJDSA-N 0 0 478.404 6.888 40 30 JKEBRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC#N ZINC000408810244 570048907 /nfs/dbraw/zinc/04/89/07/570048907.db2.gz PEKWYBOXHLJLRW-QHJBJVPESA-N 0 0 462.595 5.652 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000408810416 570048971 /nfs/dbraw/zinc/04/89/71/570048971.db2.gz IXALWUNHNOINDL-STBIYBPSSA-N 0 0 493.028 6.692 40 30 JKEBRN COc1ccccc1/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000408810445 570048981 /nfs/dbraw/zinc/04/89/81/570048981.db2.gz IZGQMTQZQQVQAW-OGLMXYFKSA-N 0 0 495.000 6.083 40 30 JKEBRN N#CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408810913 570049089 /nfs/dbraw/zinc/04/90/89/570049089.db2.gz NCLLPGNIYXLEEI-DICXZTSXSA-N 0 0 456.011 5.996 40 30 JKEBRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408810817 570049092 /nfs/dbraw/zinc/04/90/92/570049092.db2.gz JQISXOWPWZEEHZ-UHFFFAOYSA-N 0 0 460.966 5.862 40 30 JKEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408811059 570049186 /nfs/dbraw/zinc/04/91/86/570049186.db2.gz LSCLNVUDNNENRR-UCQKPKSFSA-N 0 0 488.410 6.344 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408811276 570049207 /nfs/dbraw/zinc/04/92/07/570049207.db2.gz AUVRCIMJNCSMKP-OCKHKDLRSA-N 0 0 494.806 7.085 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 ZINC000408811805 570049385 /nfs/dbraw/zinc/04/93/85/570049385.db2.gz WIZLCBZASMSVRK-NVJOKUIPSA-N 0 0 467.274 6.780 40 30 JKEBRN CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC#N ZINC000408811815 570049427 /nfs/dbraw/zinc/04/94/27/570049427.db2.gz RSKVJBKJWGAZEP-XUWWGBMTSA-N 0 0 476.622 6.042 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408813063 570049583 /nfs/dbraw/zinc/04/95/83/570049583.db2.gz DADQWGUYSADMFL-WQRHYEAKSA-N 0 0 462.340 5.562 40 30 JKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1 ZINC000408813527 570049753 /nfs/dbraw/zinc/04/97/53/570049753.db2.gz OGCDTVSSHJWGIQ-AHAGTPHESA-N 0 0 464.565 6.272 40 30 JKEBRN C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc1OC ZINC000408813623 570049801 /nfs/dbraw/zinc/04/98/01/570049801.db2.gz DKJPGYWMBSYLMS-ZMOGYAJESA-N 0 0 476.392 5.337 40 30 JKEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408814102 570049902 /nfs/dbraw/zinc/04/99/02/570049902.db2.gz PZXLBAYPXDOQCE-UCQKPKSFSA-N 0 0 454.511 5.489 40 30 JKEBRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccccc1C#N ZINC000408814543 570049971 /nfs/dbraw/zinc/04/99/71/570049971.db2.gz ZJHUCRHDBFZEAR-UHFFFAOYSA-N 0 0 490.992 5.871 40 30 JKEBRN COc1cccc(/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)c1 ZINC000408814651 570050196 /nfs/dbraw/zinc/05/01/96/570050196.db2.gz HKWINYSBFQPBFU-OGLMXYFKSA-N 0 0 495.000 6.083 40 30 JKEBRN CCOC(=O)c1c(Cl)c(/C=N/N(c2ccccc2)c2ccccc2)oc1Nc1cccc(Cl)c1 ZINC000408815123 570050280 /nfs/dbraw/zinc/05/02/80/570050280.db2.gz RRAMZJFBILUVDH-STBIYBPSSA-N 0 0 494.378 7.679 40 30 JKEBRN CCOC(=O)c1c(Cl)c(/C=C2\Sc3ccccc3C2=O)oc1Nc1ccc(Cl)cc1 ZINC000408815046 570050286 /nfs/dbraw/zinc/05/02/86/570050286.db2.gz TWYPCEQQAODQCZ-BOPFTXTBSA-N 0 0 460.338 6.836 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)c2ccccc21 ZINC000408815879 570050446 /nfs/dbraw/zinc/05/04/46/570050446.db2.gz VMXQGQIQJLXCIY-IWIPYMOSSA-N 0 0 469.566 5.558 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408816175 570050553 /nfs/dbraw/zinc/05/05/53/570050553.db2.gz KUQTUBRJYTWWEN-UNOMPAQXSA-N 0 0 458.333 5.101 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408816387 570050561 /nfs/dbraw/zinc/05/05/61/570050561.db2.gz JOPDLDBNZRIGHU-ULJHMMPZSA-N 0 0 457.551 6.244 40 30 JKEBRN CC/N=C1\S/C(=C/c2oc(Nc3ccc(Cl)cc3)c(C(=O)OCC)c2Cl)C(=O)N1CC ZINC000408816349 570050609 /nfs/dbraw/zinc/05/06/09/570050609.db2.gz JKSPOFCCFLVRFU-JGUWBDOCSA-N 0 0 482.389 5.819 40 30 JKEBRN CCOC(=O)c1c(Cl)c(/C=N/N2C(=O)c3ccccc3C2=O)oc1Nc1cccc(Cl)c1 ZINC000408817049 570050789 /nfs/dbraw/zinc/05/07/89/570050789.db2.gz WZYMKPSUWHKVGN-OPEKNORGSA-N 0 0 472.284 5.137 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408817025 570050796 /nfs/dbraw/zinc/05/07/96/570050796.db2.gz KMYCHFFYCWWFNP-JJFYIABZSA-N 0 0 453.970 6.395 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408817129 570050834 /nfs/dbraw/zinc/05/08/34/570050834.db2.gz MUBDOEOSCMIEGC-JJFYIABZSA-N 0 0 493.057 6.451 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1OCC ZINC000408817825 570051000 /nfs/dbraw/zinc/05/10/00/570051000.db2.gz OBEPVGCINGARAP-PDGQHHTCSA-N 0 0 491.794 5.405 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)c1C ZINC000408817803 570051060 /nfs/dbraw/zinc/05/10/60/570051060.db2.gz MDFMFCKLPODDBN-QFEZKATASA-N 0 0 455.558 6.337 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1CC=C ZINC000408818031 570051147 /nfs/dbraw/zinc/05/11/47/570051147.db2.gz MQJVWWLBTOHYHE-RGEXLXHISA-N 0 0 454.345 5.431 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408818072 570051186 /nfs/dbraw/zinc/05/11/86/570051186.db2.gz XTNLBAXZTONGMD-MTJSOVHGSA-N 0 0 489.811 7.117 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408818771 570051280 /nfs/dbraw/zinc/05/12/80/570051280.db2.gz OUIHDUSMNOESBF-QRVIBDJDSA-N 0 0 472.639 6.106 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408818756 570051295 /nfs/dbraw/zinc/05/12/95/570051295.db2.gz YURSTCOLYNVXIK-WQRHYEAKSA-N 0 0 489.347 5.331 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sc2c1CCCC2 ZINC000408818980 570051405 /nfs/dbraw/zinc/05/14/05/570051405.db2.gz ZMQJBQGJOURNSX-WKULSOCRSA-N 0 0 477.029 7.211 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408819430 570051531 /nfs/dbraw/zinc/05/15/31/570051531.db2.gz SBVUWFBKCHVWQL-QRVIBDJDSA-N 0 0 478.404 6.888 40 30 JKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(I)o2)sc2c1CCCC2 ZINC000408819579 570051554 /nfs/dbraw/zinc/05/15/54/570051554.db2.gz XVTMOPRVVFAXBE-UUYOSTAYSA-N 0 0 482.387 5.638 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1OC ZINC000408819969 570051608 /nfs/dbraw/zinc/05/16/08/570051608.db2.gz SFAVXXFWCQMXRD-YVLHZVERSA-N 0 0 477.767 5.015 40 30 JKEBRN N#Cc1c(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408819795 570051617 /nfs/dbraw/zinc/05/16/17/570051617.db2.gz TYLMVOYEJAKXBD-ZSNJKBEMSA-N 0 0 495.557 8.378 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 ZINC000408819761 570051652 /nfs/dbraw/zinc/05/16/52/570051652.db2.gz SWOIWXVILMZWHD-GRSHGNNSSA-N 0 0 488.359 5.151 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=Nc3ccc([N+](=O)[O-])cc3)NC2=O)c2ccccc21 ZINC000408820455 570051709 /nfs/dbraw/zinc/05/17/09/570051709.db2.gz XVPAYUVLAAVIAL-CFRMEGHHSA-N 0 0 479.521 5.361 40 30 JKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000408820168 570051712 /nfs/dbraw/zinc/05/17/12/570051712.db2.gz VTLLPSBKTUZHEC-JVWAILMASA-N 0 0 464.974 5.693 40 30 JKEBRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(/C=N/c2ccccc2)o1)Cc1ccc(Cl)cc1 ZINC000408820297 570051753 /nfs/dbraw/zinc/05/17/53/570051753.db2.gz WRNZRDPLQOQLHO-LQKURTRISA-N 0 0 499.419 6.728 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408820177 570051783 /nfs/dbraw/zinc/05/17/83/570051783.db2.gz VWFCIOYKMFQNQL-XYGWBWBKSA-N 0 0 470.981 6.964 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820421 570051794 /nfs/dbraw/zinc/05/17/94/570051794.db2.gz XPILOGMXKUVRIY-UHFFFAOYSA-N 0 0 490.390 7.072 40 30 JKEBRN C#CCOc1c(Cl)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OCC ZINC000408820798 570051864 /nfs/dbraw/zinc/05/18/64/570051864.db2.gz YVEVVNYKVIPZEE-HHHXNRCGSA-N 0 0 457.957 6.577 40 30 JKEBRN Brc1ccc(-n2cccc2/C=N\c2cccc(I)c2)cc1 ZINC000408821859 570051994 /nfs/dbraw/zinc/05/19/94/570051994.db2.gz KXKQGJTUCQLRFT-NDENLUEZSA-N 0 0 451.105 5.595 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O ZINC000408821197 570052051 /nfs/dbraw/zinc/05/20/51/570052051.db2.gz DODYDAYCOJFAHS-BOPFTXTBSA-N 0 0 494.208 5.668 40 30 JKEBRN O=C1NC(=Nc2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408824120 570052355 /nfs/dbraw/zinc/05/23/55/570052355.db2.gz PNKUKGBEIXQPGG-MTJSOVHGSA-N 0 0 465.918 5.719 40 30 JKEBRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(/C=N/c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000408827621 570052557 /nfs/dbraw/zinc/05/25/57/570052557.db2.gz LNUNOEVTJXRQGW-LQKURTRISA-N 0 0 499.419 6.728 40 30 JKEBRN COc1cccc2c(/C=C3/SC(=Nc4ccccc4OC)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408842667 570053932 /nfs/dbraw/zinc/05/39/32/570053932.db2.gz PMEYKAODFYTORM-PXLXIMEGSA-N 0 0 455.539 5.744 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc(C)c2)cc1 ZINC000408843477 570054078 /nfs/dbraw/zinc/05/40/78/570054078.db2.gz MZYNHFRCZQQENK-AREMUKBSSA-N 0 0 465.549 5.706 40 30 JKEBRN COc1ccc(COc2ccc(/C=N\c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)cc2)cc1 ZINC000408845074 570054351 /nfs/dbraw/zinc/05/43/51/570054351.db2.gz JTTKKXXXDVCESL-DXJNIWACSA-N 0 0 496.632 7.217 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408844791 570054355 /nfs/dbraw/zinc/05/43/55/570054355.db2.gz UYXXDZVIUJNFNT-HHHXNRCGSA-N 0 0 495.575 5.796 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408845594 570054432 /nfs/dbraw/zinc/05/44/32/570054432.db2.gz HWUBXOAFFHZDRS-QFEZKATASA-N 0 0 490.003 6.991 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1c3ccccc3cc3ccccc31)CCCC2 ZINC000408845400 570054455 /nfs/dbraw/zinc/05/44/55/570054455.db2.gz GOJBKAXGHNDKNJ-DXJNIWACSA-N 0 0 460.602 7.936 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc(C)c2)c(Cl)c1 ZINC000408846054 570054602 /nfs/dbraw/zinc/05/46/02/570054602.db2.gz XIWHVIIQHDQWCD-AREMUKBSSA-N 0 0 499.994 6.359 40 30 JKEBRN C#CCOc1c(Cl)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl ZINC000408846648 570054722 /nfs/dbraw/zinc/05/47/22/570054722.db2.gz YAJWBWDZEOZYKR-FQEVSTJZSA-N 0 0 468.336 5.137 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1Br ZINC000408847918 570054970 /nfs/dbraw/zinc/05/49/70/570054970.db2.gz WTKGNAFPSJCOSZ-QFEZKATASA-N 0 0 469.404 6.401 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CC ZINC000408849315 570055162 /nfs/dbraw/zinc/05/51/62/570055162.db2.gz WASPFRCNJRFINJ-VJNSTGJUSA-N 0 0 480.373 5.793 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N\c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)cc2)cc1 ZINC000408849681 570055279 /nfs/dbraw/zinc/05/52/79/570055279.db2.gz XUSMHBATLWVESN-DXJNIWACSA-N 0 0 480.633 7.517 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408850048 570055292 /nfs/dbraw/zinc/05/52/92/570055292.db2.gz DPUYVXNLNILFLP-USPLRNBBSA-N 0 0 458.583 5.688 40 30 JKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(OC)c1 ZINC000408849817 570055301 /nfs/dbraw/zinc/05/53/01/570055301.db2.gz ZKCDYSHAZMXUFM-NTFVMDSBSA-N 0 0 465.619 5.755 40 30 JKEBRN Cc1cc(I)ccc1/N=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408850095 570055406 /nfs/dbraw/zinc/05/54/06/570055406.db2.gz FUZIGIGQRRJNKL-GRSHGNNSSA-N 0 0 459.125 5.306 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408850093 570055428 /nfs/dbraw/zinc/05/54/28/570055428.db2.gz FUGCODUBDDXOTM-SXFDALKKSA-N 0 0 487.644 7.478 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408850287 570055455 /nfs/dbraw/zinc/05/54/55/570055455.db2.gz KHLYYCFXXJNWBM-OYKKKHCWSA-N 0 0 475.976 6.682 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408851474 570055474 /nfs/dbraw/zinc/05/54/74/570055474.db2.gz ZSRHPNYKVMZTBF-QRVIBDJDSA-N 0 0 459.958 5.991 40 30 JKEBRN COc1cc(Cl)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408850948 570055550 /nfs/dbraw/zinc/05/55/50/570055550.db2.gz GYNWOCLKKYGFJL-OGVHXYEMSA-N 0 0 471.022 6.540 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2c(C)n(-c3ccc(Br)cc3)c(C)c2Br)cc1 ZINC000408852553 570055823 /nfs/dbraw/zinc/05/58/23/570055823.db2.gz TZPNLUYXKDAKSH-WYMPLXKRSA-N 0 0 490.195 6.156 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccccc1 ZINC000408853785 570056004 /nfs/dbraw/zinc/05/60/04/570056004.db2.gz SAWZUUDFVHDPTD-MSXFZWOLSA-N 0 0 471.311 5.176 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1 ZINC000408853234 570056019 /nfs/dbraw/zinc/05/60/19/570056019.db2.gz QDVBFABKLVPUGY-MSXFZWOLSA-N 0 0 454.870 5.798 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408854259 570056108 /nfs/dbraw/zinc/05/61/08/570056108.db2.gz BAUJTJVKKBYXTA-IWIPYMOSSA-N 0 0 462.546 6.003 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408854971 570056240 /nfs/dbraw/zinc/05/62/40/570056240.db2.gz BNNXWSGYJWCMLM-QFEZKATASA-N 0 0 472.013 7.101 40 30 JKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc12 ZINC000408855166 570056268 /nfs/dbraw/zinc/05/62/68/570056268.db2.gz CWHKKBRQLQUDEW-LQYFGANKSA-N 0 0 498.692 8.057 40 30 JKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1c3ccccc3cc3ccccc31)CCCC2 ZINC000408854660 570056329 /nfs/dbraw/zinc/05/63/29/570056329.db2.gz AWSYFLQQTPUKPA-MNBJERMJSA-N 0 0 464.590 7.207 40 30 JKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc12 ZINC000408855169 570056397 /nfs/dbraw/zinc/05/63/97/570056397.db2.gz CWHKKBRQLQUDEW-WEDAVAPLSA-N 0 0 498.692 8.057 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)C(=O)N1CC ZINC000408855892 570056477 /nfs/dbraw/zinc/05/64/77/570056477.db2.gz GJQIHSRIVIGUNZ-KTAJVBQSSA-N 0 0 463.430 6.501 40 30 JKEBRN Cc1cc(/N=C\c2cc(Br)c(N3CCCC3)o2)ccc1I ZINC000408855875 570056520 /nfs/dbraw/zinc/05/65/20/570056520.db2.gz GGHITPDKOZGMKJ-GRSHGNNSSA-N 0 0 459.125 5.306 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(OC)c1OC ZINC000408856051 570056534 /nfs/dbraw/zinc/05/65/34/570056534.db2.gz HCUQFPYAFZSMGD-DPRAHBJMSA-N 0 0 466.603 5.895 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3cc(C)c(OCc4ccc(Cl)cc4)c(C)c3)C(=O)N2C)cc1 ZINC000408856144 570056545 /nfs/dbraw/zinc/05/65/45/570056545.db2.gz PKNJKAUDHZJKJO-GDXYPYGWSA-N 0 0 477.029 7.078 40 30 JKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000408856341 570056557 /nfs/dbraw/zinc/05/65/57/570056557.db2.gz HJEWWLXQIVNJFD-NTFVMDSBSA-N 0 0 485.565 7.106 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408857007 570056675 /nfs/dbraw/zinc/05/66/75/570056675.db2.gz JCAILXOZTPFTPV-BOTKPODPSA-N 0 0 488.628 7.704 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3cccn3-c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408856597 570056736 /nfs/dbraw/zinc/05/67/36/570056736.db2.gz QMQWZZUVBJGKFR-XWXOLKTQSA-N 0 0 477.633 7.411 40 30 JKEBRN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1C ZINC000245231285 570056743 /nfs/dbraw/zinc/05/67/43/570056743.db2.gz AVDLOPJYHSRXKS-TXQUNOLYSA-N 0 0 462.549 5.237 40 30 JKEBRN C/N=C1/S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N1C ZINC000408857493 570056781 /nfs/dbraw/zinc/05/67/81/570056781.db2.gz OQGFPONMZVPIFV-RHFGJHFGSA-N 0 0 469.763 5.353 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408857398 570056784 /nfs/dbraw/zinc/05/67/84/570056784.db2.gz MKLLEPITTHMPAS-IRTIDOPGSA-N 0 0 480.555 7.639 40 30 JKEBRN C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1C ZINC000408857790 570056801 /nfs/dbraw/zinc/05/68/01/570056801.db2.gz OYHMNMDAKZZBJB-ZGOJGUPBSA-N 0 0 471.793 5.766 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000408857393 570056832 /nfs/dbraw/zinc/05/68/32/570056832.db2.gz MIVBOBNBUZABRY-XKZIYDEJSA-N 0 0 469.393 6.772 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)S1 ZINC000408857931 570056915 /nfs/dbraw/zinc/05/69/15/570056915.db2.gz QIAINQGXTFWYMZ-PXNMLYILSA-N 0 0 483.771 5.020 40 30 JKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)cc1 ZINC000408859027 570057018 /nfs/dbraw/zinc/05/70/18/570057018.db2.gz SCZQSYGECBEZKQ-ZHZULCJRSA-N 0 0 452.377 5.694 40 30 JKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)ccc1O)CCCC2 ZINC000408858935 570057023 /nfs/dbraw/zinc/05/70/23/570057023.db2.gz RONGDSCBFZTHQP-MYKKPKGFSA-N 0 0 459.365 5.369 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)cc(OCC)c1O ZINC000408859479 570057098 /nfs/dbraw/zinc/05/70/98/570057098.db2.gz XEZSKLAOERRGDO-ZDLGFXPLSA-N 0 0 493.810 5.827 40 30 JKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408859181 570057099 /nfs/dbraw/zinc/05/70/99/570057099.db2.gz MQXOTSOPGLZHQI-QRVIBDJDSA-N 0 0 461.949 6.374 40 30 JKEBRN CCOc1cc(C=NNc2ccc3ccccc3n2)c(Br)cc1OCc1ccccc1 ZINC000408859463 570057101 /nfs/dbraw/zinc/05/71/01/570057101.db2.gz ULNOHKHOENFYOO-JVWAILMASA-N 0 0 476.374 6.421 40 30 JKEBRN COc1cc(Br)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408860120 570057144 /nfs/dbraw/zinc/05/71/44/570057144.db2.gz VWVNMBMPLLCTBQ-IDUWFGFVSA-N 0 0 467.772 5.320 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4s3)o2)S1 ZINC000408859934 570057145 /nfs/dbraw/zinc/05/71/45/570057145.db2.gz VUTOBVPHRCDNSK-UNOMPAQXSA-N 0 0 479.608 6.249 40 30 JKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408859675 570057148 /nfs/dbraw/zinc/05/71/48/570057148.db2.gz YZFLLBRWBXZTNH-FDAWAROLSA-N 0 0 475.419 8.361 40 30 JKEBRN CCOc1cc(C=NNc2ccccn2)c(Br)cc1OCc1ccccc1Cl ZINC000408859720 570057178 /nfs/dbraw/zinc/05/71/78/570057178.db2.gz YMRSEIUJOHCWSE-MXAYSNPKSA-N 0 0 460.759 5.921 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccccc1 ZINC000408860063 570057194 /nfs/dbraw/zinc/05/71/94/570057194.db2.gz XRPHJRISIKAJGD-UCQKPKSFSA-N 0 0 464.974 6.128 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408861023 570057267 /nfs/dbraw/zinc/05/72/67/570057267.db2.gz LAHKJIVKKXLWMV-MYYYXRDXSA-N 0 0 472.013 7.101 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1OC ZINC000408860668 570057272 /nfs/dbraw/zinc/05/72/72/570057272.db2.gz BIKPDYQBLHLKGR-NMRWETQTSA-N 0 0 466.578 6.336 40 30 JKEBRN CN(C)c1oc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Br ZINC000408861079 570057273 /nfs/dbraw/zinc/05/72/73/570057273.db2.gz MGLDYMVAWJTZFL-WYMPLXKRSA-N 0 0 476.396 5.322 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408861029 570057274 /nfs/dbraw/zinc/05/72/74/570057274.db2.gz LEDRHHVPEPMXRS-ZQEFCDEVSA-N 0 0 480.633 7.035 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1cccnc1 ZINC000408860744 570057281 /nfs/dbraw/zinc/05/72/81/570057281.db2.gz DEDMCCBGOHMAQL-QXBBQXTISA-N 0 0 470.642 6.672 40 30 JKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1 ZINC000408860860 570057284 /nfs/dbraw/zinc/05/72/84/570057284.db2.gz GURDMCHYMRAOEZ-MNUWZKAXSA-N 0 0 455.421 6.632 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408861026 570057305 /nfs/dbraw/zinc/05/73/05/570057305.db2.gz LEDRHHVPEPMXRS-DUOPTBKHSA-N 0 0 480.633 7.035 40 30 JKEBRN C[C@H]1C/C(=C\c2cc(OC(F)F)ccc2Cl)C(=O)/C(=C\c2cc(OC(F)F)ccc2Cl)C1 ZINC000245237717 570057387 /nfs/dbraw/zinc/05/73/87/570057387.db2.gz SOAWGMXENPTQSW-FXUPPKSJSA-N 0 0 489.292 7.662 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)S1 ZINC000408861342 570057431 /nfs/dbraw/zinc/05/74/31/570057431.db2.gz QPOUUDSROLFEHL-SOFYXZRVSA-N 0 0 451.729 5.031 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(C)C ZINC000408862646 570057440 /nfs/dbraw/zinc/05/74/40/570057440.db2.gz HGIBBXOKRORVCN-DSQFQLQFSA-N 0 0 478.658 6.913 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000408863303 570057544 /nfs/dbraw/zinc/05/75/44/570057544.db2.gz LRTZRWIYYSBJKO-UUYOSTAYSA-N 0 0 450.007 6.564 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1OCC ZINC000408863429 570057549 /nfs/dbraw/zinc/05/75/49/570057549.db2.gz MSEVREVPORXKOL-NMRWETQTSA-N 0 0 468.594 6.560 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1 ZINC000408863348 570057582 /nfs/dbraw/zinc/05/75/82/570057582.db2.gz NKZFMZRPZBCHCQ-MYYYXRDXSA-N 0 0 453.567 5.898 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1 ZINC000408863332 570057584 /nfs/dbraw/zinc/05/75/84/570057584.db2.gz RHPZIPCGZOQEQW-UUYOSTAYSA-N 0 0 451.979 5.956 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 ZINC000408864180 570057627 /nfs/dbraw/zinc/05/76/27/570057627.db2.gz SVSMPTWCCUKJKM-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC#N ZINC000408863528 570057645 /nfs/dbraw/zinc/05/76/45/570057645.db2.gz PAURDSSTOOQTDP-IQHOEELTSA-N 0 0 461.587 5.780 40 30 JKEBRN CCC1N=NC(=S)N1N=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408863633 570057649 /nfs/dbraw/zinc/05/76/49/570057649.db2.gz TYBUQGDPYJIGLV-ZMOGYAJESA-N 0 0 467.392 5.506 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 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CCXRFCXULVODDJ-OVVQPSECSA-N 0 0 461.518 5.160 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)c1 ZINC000408930681 570079864 /nfs/dbraw/zinc/07/98/64/570079864.db2.gz AQAIMIGRTPOHBH-JVWAILMASA-N 0 0 469.354 5.754 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408930946 570079892 /nfs/dbraw/zinc/07/98/92/570079892.db2.gz FETPSMZEAYRTIJ-OGLMXYFKSA-N 0 0 450.966 5.823 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408930942 570079897 /nfs/dbraw/zinc/07/98/97/570079897.db2.gz FDAYRHYDLVOLOP-STBIYBPSSA-N 0 0 468.956 6.044 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)cc1 ZINC000408930949 570079918 /nfs/dbraw/zinc/07/99/18/570079918.db2.gz FGSLVEJADIZZAZ-JFLMPSFJSA-N 0 0 486.355 6.068 40 30 JKEBRN Clc1ccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)cc1 ZINC000408931055 570079928 /nfs/dbraw/zinc/07/99/28/570079928.db2.gz GOKWMBWQZNKWHE-RWPZCVJISA-N 0 0 475.803 6.813 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)cc1 ZINC000408930826 570079950 /nfs/dbraw/zinc/07/99/50/570079950.db2.gz COQINYRPCZJNRQ-JVWAILMASA-N 0 0 485.809 6.269 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408930880 570079958 /nfs/dbraw/zinc/07/99/58/570079958.db2.gz DGHHLZDXFUPXFL-JVWAILMASA-N 0 0 485.809 6.269 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(I)c2)cc1 ZINC000408930900 570079967 /nfs/dbraw/zinc/07/99/67/570079967.db2.gz DOFLSOFLBDEFRC-ZMFRSBBQSA-N 0 0 496.270 6.335 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc(C)c1 ZINC000408931197 570080033 /nfs/dbraw/zinc/08/00/33/570080033.db2.gz IHWNYSANYNBWDO-RDRPBHBLSA-N 0 0 464.993 6.213 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccccc1F ZINC000408931343 570080044 /nfs/dbraw/zinc/08/00/44/570080044.db2.gz KHMOXUBMEVEJCV-LQKURTRISA-N 0 0 499.380 5.763 40 30 JKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408931340 570080049 /nfs/dbraw/zinc/08/00/49/570080049.db2.gz KHCFAUXWAWKAJY-RDRPBHBLSA-N 0 0 488.429 6.348 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccccc1Cl ZINC000408931198 570080075 /nfs/dbraw/zinc/08/00/75/570080075.db2.gz IIOSKVLXJSWBFZ-AJBULDERSA-N 0 0 491.031 6.633 40 30 JKEBRN Fc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931427 570080087 /nfs/dbraw/zinc/08/00/87/570080087.db2.gz LKKGTLKCGDLJMW-RWPZCVJISA-N 0 0 459.348 6.299 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc(OCC)c1OCC ZINC000408931520 570080142 /nfs/dbraw/zinc/08/01/42/570080142.db2.gz MRMGQUAEKKJWHJ-ASDXCLGBSA-N 0 0 480.630 5.853 40 30 JKEBRN Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408931474 570080176 /nfs/dbraw/zinc/08/01/76/570080176.db2.gz MDPHABHNXXRETQ-JVWAILMASA-N 0 0 485.809 6.269 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408931794 570080212 /nfs/dbraw/zinc/08/02/12/570080212.db2.gz QJMMJGCQWUMPPJ-NJZRLIGZSA-N 0 0 470.613 6.288 40 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ZINC000408932096 570080350 /nfs/dbraw/zinc/08/03/50/570080350.db2.gz TYYIVPLIRLFYQB-AQLQTECXSA-N 0 0 489.324 8.190 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408932056 570080378 /nfs/dbraw/zinc/08/03/78/570080378.db2.gz SNJBWWVIBWIYHK-PPOKSSTKSA-N 0 0 493.695 7.149 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 ZINC000408932379 570080413 /nfs/dbraw/zinc/08/04/13/570080413.db2.gz WLJHUEXKJFDOSW-BCHBDCPOSA-N 0 0 484.261 6.945 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1 ZINC000408932286 570080430 /nfs/dbraw/zinc/08/04/30/570080430.db2.gz BVUWJYIWWBOGTF-ZEHKLFRWSA-N 0 0 475.614 5.743 40 30 JKEBRN Ic1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932229 570080454 /nfs/dbraw/zinc/08/04/54/570080454.db2.gz UZLPBYSQZXBORU-YZSQISJMSA-N 0 0 498.364 5.457 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408932343 570080462 /nfs/dbraw/zinc/08/04/62/570080462.db2.gz VWRRABKCOIWRAN-NQTPETEBSA-N 0 0 464.631 6.013 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408932361 570080472 /nfs/dbraw/zinc/08/04/72/570080472.db2.gz WEBWPFLASUDGHN-MUFRIFMGSA-N 0 0 497.954 5.092 40 30 JKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408932159 570080481 /nfs/dbraw/zinc/08/04/81/570080481.db2.gz BETAAZJCAJLLNL-ZMGVVAQMSA-N 0 0 497.948 7.791 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932550 570080539 /nfs/dbraw/zinc/08/05/39/570080539.db2.gz XIZQWKJPFSAPIR-QDTIIGTASA-N 0 0 493.869 6.691 40 30 JKEBRN Fc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408932758 570080554 /nfs/dbraw/zinc/08/05/54/570080554.db2.gz ZCCWRSQETLUTGP-JVWAILMASA-N 0 0 469.354 5.754 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S/C1=N\c1ccc(OC)cc1 ZINC000408932764 570080557 /nfs/dbraw/zinc/08/05/57/570080557.db2.gz ZDBFTYJMIMLNBJ-DADJGAKYSA-N 0 0 489.641 5.970 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408932840 570080672 /nfs/dbraw/zinc/08/06/72/570080672.db2.gz ZWERLHPJSMUZSU-RDRPBHBLSA-N 0 0 493.991 5.343 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OCc1ccccc1Cl ZINC000408934137 570080867 /nfs/dbraw/zinc/08/08/67/570080867.db2.gz CNSVHDJBIJHLDO-OVCLIPMQSA-N 0 0 497.716 5.238 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(Br)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408934560 570081014 /nfs/dbraw/zinc/08/10/14/570081014.db2.gz BHDYUSUXXRWIAK-MSXFZWOLSA-N 0 0 499.321 5.907 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cc(C)cc(C)c3)cc1)N2 ZINC000408934522 570081040 /nfs/dbraw/zinc/08/10/40/570081040.db2.gz BDSJOQNYABABDT-YKDQCUAOSA-N 0 0 498.670 8.768 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408935711 570081293 /nfs/dbraw/zinc/08/12/93/570081293.db2.gz DMQWEVZUPOSPGS-ILHMCOAFSA-N 0 0 458.605 8.206 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935693 570081325 /nfs/dbraw/zinc/08/13/25/570081325.db2.gz DJPHFCQBUIBZGD-LDCJCKRGSA-N 0 0 474.579 7.982 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408935694 570081327 /nfs/dbraw/zinc/08/13/27/570081327.db2.gz DJPHFCQBUIBZGD-QYDGWAMYSA-N 0 0 474.579 7.982 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408936049 570081414 /nfs/dbraw/zinc/08/14/14/570081414.db2.gz JTQNJJRXPUZMEX-HMIXUQBKSA-N 0 0 497.038 7.636 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408936008 570081448 /nfs/dbraw/zinc/08/14/48/570081448.db2.gz FKLNQFMMZJSSIM-RCUHJWHVSA-N 0 0 485.425 7.591 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408936453 570081510 /nfs/dbraw/zinc/08/15/10/570081510.db2.gz JVTVMNAYXKPNIQ-WTXGPGAFSA-N 0 0 466.625 7.760 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)N(CCCOC)C3=O)c2C)cc1 ZINC000408936270 570081566 /nfs/dbraw/zinc/08/15/66/570081566.db2.gz OYURVOSUELFALF-DSTPSKMHSA-N 0 0 489.641 6.133 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408937005 570081614 /nfs/dbraw/zinc/08/16/14/570081614.db2.gz LZHCPTQJFGUIBX-BREWHQDZSA-N 0 0 483.011 7.328 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408937011 570081685 /nfs/dbraw/zinc/08/16/85/570081685.db2.gz LZHCPTQJFGUIBX-KZIPQDMESA-N 0 0 483.011 7.328 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5C5CCCC5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252488557 570081801 /nfs/dbraw/zinc/08/18/01/570081801.db2.gz IUQOQCYGGODQPC-GMUVMLAYSA-N 0 0 476.661 6.455 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408937203 570081780 /nfs/dbraw/zinc/08/17/80/570081780.db2.gz IKSHUVXFHKMRFR-GIDUJCDVSA-N 0 0 485.161 6.050 40 30 JKEBRN CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000408937124 570081815 /nfs/dbraw/zinc/08/18/15/570081815.db2.gz IDIKCWWGLLVHBH-CXUHLZMHSA-N 0 0 451.114 5.107 40 30 JKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408937976 570081923 /nfs/dbraw/zinc/08/19/23/570081923.db2.gz KBXSHJJQWSDEFX-QYDGWAMYSA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408937901 570081936 /nfs/dbraw/zinc/08/19/36/570081936.db2.gz RCDWLDYAUGHBMA-DBFSUHOCSA-N 0 0 466.862 6.922 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408938639 570082050 /nfs/dbraw/zinc/08/20/50/570082050.db2.gz LIXXCZJFTHGBMW-GJGHUJBWSA-N 0 0 499.452 7.899 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408938637 570082080 /nfs/dbraw/zinc/08/20/80/570082080.db2.gz LIXXCZJFTHGBMW-FMLIKCQESA-N 0 0 499.452 7.899 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc1)N2 ZINC000408939209 570082223 /nfs/dbraw/zinc/08/22/23/570082223.db2.gz LWBBRFWKALUSGD-OIMUAXCOSA-N 0 0 470.616 8.151 40 30 JKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408939514 570082350 /nfs/dbraw/zinc/08/23/50/570082350.db2.gz MVHHISRAMVGKBE-HGPMORKZSA-N 0 0 487.441 7.815 40 30 JKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c1 ZINC000408940047 570082426 /nfs/dbraw/zinc/08/24/26/570082426.db2.gz NLTGNXYOUWBNMO-BMQFKMCRSA-N 0 0 491.034 8.496 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1OCc1ccccc1 ZINC000408940474 570082465 /nfs/dbraw/zinc/08/24/65/570082465.db2.gz OAPMGLFVLVBWSR-JZJCQDDCSA-N 0 0 486.615 7.851 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1OCc1ccccc1 ZINC000408940480 570082470 /nfs/dbraw/zinc/08/24/70/570082470.db2.gz OAPMGLFVLVBWSR-VGUOWFLUSA-N 0 0 486.615 7.851 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408940257 570082478 /nfs/dbraw/zinc/08/24/78/570082478.db2.gz NRNUREUXEMTPBJ-DGTAYUIYSA-N 0 0 491.034 8.496 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)cc1)N2 ZINC000408940496 570082551 /nfs/dbraw/zinc/08/25/51/570082551.db2.gz OBEFDFDCGASPIO-RSJPPULDSA-N 0 0 488.606 8.290 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408940505 570082611 /nfs/dbraw/zinc/08/26/11/570082611.db2.gz OBENRVNLGPWAQV-BARGHJKMSA-N 0 0 457.017 8.014 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408942219 570082820 /nfs/dbraw/zinc/08/28/20/570082820.db2.gz YFHBRGJMKLLKQO-XOQBKMFYSA-N 0 0 452.598 7.370 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000408942274 570082870 /nfs/dbraw/zinc/08/28/70/570082870.db2.gz YTYWCDQHWRHKPK-CFRMEGHHSA-N 0 0 454.414 5.066 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408942624 570082878 /nfs/dbraw/zinc/08/28/78/570082878.db2.gz ZTQNEJYYLNYVOR-GCEYBUITSA-N 0 0 452.598 7.451 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408942440 570082915 /nfs/dbraw/zinc/08/29/15/570082915.db2.gz QUJPVVAXNUBNKL-JZJJVZJYSA-N 0 0 470.616 8.151 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Br)c1OC ZINC000408942878 570082964 /nfs/dbraw/zinc/08/29/64/570082964.db2.gz RBTONTLSOMZNIM-QFCIWXFXSA-N 0 0 489.413 7.043 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Br)c1OC ZINC000408942873 570082974 /nfs/dbraw/zinc/08/29/74/570082974.db2.gz RBTONTLSOMZNIM-GYWSPCNESA-N 0 0 489.413 7.043 40 30 JKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408942959 570083053 /nfs/dbraw/zinc/08/30/53/570083053.db2.gz RGUVJYQSXJPRGA-WKLXQTPASA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2)cc1Br ZINC000408943192 570083055 /nfs/dbraw/zinc/08/30/55/570083055.db2.gz YLMDDAYTLGIWOY-AFPJDJCSSA-N 0 0 466.095 6.075 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408943112 570083058 /nfs/dbraw/zinc/08/30/58/570083058.db2.gz RPASBLXTLIABHJ-GYSZUQFISA-N 0 0 473.414 7.343 40 30 JKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408942956 570083070 /nfs/dbraw/zinc/08/30/70/570083070.db2.gz RGUVJYQSXJPRGA-DUPLWTPRSA-N 0 0 474.579 7.982 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408943877 570083152 /nfs/dbraw/zinc/08/31/52/570083152.db2.gz ZJTXYJFUCUVSGD-ISSOZRQYSA-N 0 0 462.531 5.026 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943854 570083206 /nfs/dbraw/zinc/08/32/06/570083206.db2.gz SKHMCEQETLFVPL-YAVMZKTKSA-N 0 0 484.643 8.460 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408944740 570083264 /nfs/dbraw/zinc/08/32/64/570083264.db2.gz UYOMXQCHJZJOEZ-ITXBLVSESA-N 0 0 468.600 7.737 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408944672 570083268 /nfs/dbraw/zinc/08/32/68/570083268.db2.gz URARDYMXUHPSKQ-VEROYXRLSA-N 0 0 474.579 7.982 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)cc1)N2 ZINC000408944686 570083277 /nfs/dbraw/zinc/08/32/77/570083277.db2.gz URIVKCOENDMKQE-GKDXDENOSA-N 0 0 498.670 8.768 40 30 JKEBRN Clc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1OCc1ccccc1 ZINC000408945200 570083379 /nfs/dbraw/zinc/08/33/79/570083379.db2.gz WEHQFYQIIKUSKF-WKLXQTPASA-N 0 0 491.034 8.496 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OCC ZINC000408945573 570083382 /nfs/dbraw/zinc/08/33/82/570083382.db2.gz WTEIJNBJXHCDEH-NSBSDQOHSA-N 0 0 487.043 8.023 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408945428 570083383 /nfs/dbraw/zinc/08/33/83/570083383.db2.gz WLLXKGUGWOIQRD-KYSPAWQRSA-N 0 0 470.616 8.290 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408945425 570083436 /nfs/dbraw/zinc/08/34/36/570083436.db2.gz WLLXKGUGWOIQRD-ITXBLVSESA-N 0 0 470.616 8.290 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@H]54)cc3)cc2)c1 ZINC000408946481 570083519 /nfs/dbraw/zinc/08/35/19/570083519.db2.gz YUAOXHHKXILIEG-DGTAYUIYSA-N 0 0 474.579 7.982 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408945767 570083529 /nfs/dbraw/zinc/08/35/29/570083529.db2.gz XGTJGKBCHWPRLP-WGARJPEWSA-N 0 0 476.876 6.335 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3ccc(F)cc3)cc1)N2 ZINC000408946138 570083534 /nfs/dbraw/zinc/08/35/34/570083534.db2.gz YCPUPROVVADDPG-YWRRZTAVSA-N 0 0 488.606 8.290 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408945798 570083550 /nfs/dbraw/zinc/08/35/50/570083550.db2.gz XJKQPMQNZFBUEU-PODFCCBWSA-N 0 0 483.011 7.246 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408946550 570083638 /nfs/dbraw/zinc/08/36/38/570083638.db2.gz YWNGZPMGKBDFFT-JJFYIABZSA-N 0 0 471.813 5.090 40 30 JKEBRN COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409065213 570116078 /nfs/dbraw/zinc/11/60/78/570116078.db2.gz IDRRKFRBEMOCRX-QPSGOUHRSA-N 0 0 497.065 5.593 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)S2)cc1 ZINC000408949684 570083820 /nfs/dbraw/zinc/08/38/20/570083820.db2.gz BTTXUVDXJXUWHQ-YDZHTSKRSA-N 0 0 492.557 5.301 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc54)c3C)S2)cc1 ZINC000408949337 570083822 /nfs/dbraw/zinc/08/38/22/570083822.db2.gz BCPYDRQARKBVDP-YZSQISJMSA-N 0 0 467.594 6.538 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)cc1C ZINC000408949990 570083982 /nfs/dbraw/zinc/08/39/82/570083982.db2.gz CXOXPJXNZTZBKE-QPEQYQDCSA-N 0 0 456.159 5.313 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)S2)cc1 ZINC000408950541 570084074 /nfs/dbraw/zinc/08/40/74/570084074.db2.gz GFMNKEOOKCHCMD-BUVRLJJBSA-N 0 0 459.615 6.310 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)S2)cc1 ZINC000408950894 570084137 /nfs/dbraw/zinc/08/41/37/570084137.db2.gz GRJHTBNKPWTLBD-PCLIKHOPSA-N 0 0 492.572 6.094 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1)c1ccccc1F ZINC000408950583 570084153 /nfs/dbraw/zinc/08/41/53/570084153.db2.gz HBVXOEKLYXYXCC-DHRITJCHSA-N 0 0 462.462 5.523 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)S2)cc1 ZINC000408951883 570084241 /nfs/dbraw/zinc/08/42/41/570084241.db2.gz KJISHVAUJFHCNH-HZHRSRAPSA-N 0 0 475.570 5.171 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 ZINC000408952752 570084338 /nfs/dbraw/zinc/08/43/38/570084338.db2.gz MKOASNIOMFSSMQ-PCLIKHOPSA-N 0 0 459.615 6.508 40 30 JKEBRN Cc1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cc1C ZINC000408952231 570084341 /nfs/dbraw/zinc/08/43/41/570084341.db2.gz LOAHCTVXWKOSKY-RKPSFQJFSA-N 0 0 470.186 5.655 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc43)S2)cc1 ZINC000408952932 570084357 /nfs/dbraw/zinc/08/43/57/570084357.db2.gz NFDAKYNNDDDESI-MTDXEUNCSA-N 0 0 494.616 7.018 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408952580 570084363 /nfs/dbraw/zinc/08/43/63/570084363.db2.gz KSESFFQUIMUENO-CVKSISIWSA-N 0 0 493.610 5.649 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1cc(Br)c(Br)o1 ZINC000408955084 570084692 /nfs/dbraw/zinc/08/46/92/570084692.db2.gz VYSRZJSESMANSF-WZUFQYTHSA-N 0 0 496.995 6.003 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408953117 570084483 /nfs/dbraw/zinc/08/44/83/570084483.db2.gz OKHRSUCQALSFPK-YVRPRTCJSA-N 0 0 464.594 6.352 40 30 JKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(Br)c(Br)o3)cc2)cc1 ZINC000408954215 570084562 /nfs/dbraw/zinc/08/45/62/570084562.db2.gz RXPFVOPXYHGOAL-KEBDBYFISA-N 0 0 482.153 6.615 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)S2)cc1 ZINC000408954461 570084599 /nfs/dbraw/zinc/08/45/99/570084599.db2.gz TUYCNNQMXVZNGT-OVVQPSECSA-N 0 0 480.589 6.709 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c(OCC)cc3Br)S2)cc1 ZINC000408953989 570084600 /nfs/dbraw/zinc/08/46/00/570084600.db2.gz RGRUAGMVGBAMBS-YBFXNURJSA-N 0 0 477.380 5.147 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)S2)cc1 ZINC000408955095 570084704 /nfs/dbraw/zinc/08/47/04/570084704.db2.gz WCEXXDPYQJHGOE-YDZHTSKRSA-N 0 0 482.005 6.046 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)S2)cc1 ZINC000408955078 570084709 /nfs/dbraw/zinc/08/47/09/570084709.db2.gz VXDRSQKTXCOKCU-WGOQTCKBSA-N 0 0 499.592 5.826 40 30 JKEBRN Cc1cc(C)c(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)c(C)c1 ZINC000408955037 570084723 /nfs/dbraw/zinc/08/47/23/570084723.db2.gz VKRPWQLKUXOWCE-FIZBDXDJSA-N 0 0 484.213 5.964 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)S2)cc1 ZINC000408955065 570084733 /nfs/dbraw/zinc/08/47/33/570084733.db2.gz VTFBILICPJONJU-LFVJCYFKSA-N 0 0 487.581 5.303 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408954788 570084744 /nfs/dbraw/zinc/08/47/44/570084744.db2.gz VCAUKJNGCKHXOK-XOLKAKTPSA-N 0 0 482.403 5.872 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)ccc1OS(=O)(=O)c1ccccc1 ZINC000408954817 570084746 /nfs/dbraw/zinc/08/47/46/570084746.db2.gz NOBDNRYFEUWCKJ-CVKSISIWSA-N 0 0 497.573 5.562 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)S2)cc1 ZINC000408955659 570084869 /nfs/dbraw/zinc/08/48/69/570084869.db2.gz YCLZXRMVLHDHLW-BUVRLJJBSA-N 0 0 489.597 5.479 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC ZINC000408955589 570084874 /nfs/dbraw/zinc/08/48/74/570084874.db2.gz XUJXGYLQKMJIHS-XSFVSMFZSA-N 0 0 456.951 5.041 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408956548 570084966 /nfs/dbraw/zinc/08/49/66/570084966.db2.gz RDKGMIZXTQCGIM-VULFUBBASA-N 0 0 497.573 5.480 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(OCc4ccccc4)c3)S2)cc1 ZINC000408956039 570085043 /nfs/dbraw/zinc/08/50/43/570085043.db2.gz ZPTDKRSTNYNYHQ-LFVJCYFKSA-N 0 0 460.555 5.565 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C(=O)N2C)cc1 ZINC000408959612 570085312 /nfs/dbraw/zinc/08/53/12/570085312.db2.gz BXUCZDLRPVYWQG-KSVGNYRWSA-N 0 0 473.642 6.597 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O ZINC000408959731 570085358 /nfs/dbraw/zinc/08/53/58/570085358.db2.gz DVZBFGRMTFNTDL-NKDOTSDESA-N 0 0 451.680 6.533 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c1C ZINC000408959895 570085375 /nfs/dbraw/zinc/08/53/75/570085375.db2.gz HSQVSGZONXHNIQ-KSVGNYRWSA-N 0 0 473.642 6.597 40 30 JKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)c1C ZINC000408960112 570085559 /nfs/dbraw/zinc/08/55/59/570085559.db2.gz BXCOHUIWWFNATD-OEAKJJBVSA-N 0 0 459.571 5.389 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(Br)cc1 ZINC000408960421 570085612 /nfs/dbraw/zinc/08/56/12/570085612.db2.gz LOPDRJGEOYIWMY-XOLKAKTPSA-N 0 0 470.436 5.982 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000408960527 570085613 /nfs/dbraw/zinc/08/56/13/570085613.db2.gz GKZPMWRPHMXERO-UDWIEESQSA-N 0 0 470.425 6.909 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(Br)c1 ZINC000408960779 570085763 /nfs/dbraw/zinc/08/57/63/570085763.db2.gz IWLLPOCETAWDRV-CIAFOILYSA-N 0 0 466.404 6.057 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C(=O)N2CC)cc1 ZINC000408960580 570085803 /nfs/dbraw/zinc/08/58/03/570085803.db2.gz MWZRVHDJPJJQGV-YHEUAIPESA-N 0 0 487.669 6.988 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408960821 570085806 /nfs/dbraw/zinc/08/58/06/570085806.db2.gz OJMRYTHVRCIIQJ-VTJSNHOUSA-N 0 0 474.674 6.209 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=Nc2ccccc2)cc1 ZINC000408961007 570085837 /nfs/dbraw/zinc/08/58/37/570085837.db2.gz PSHUEYYADDTMCJ-WBLURPLBSA-N 0 0 483.637 6.408 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(Br)cc1O ZINC000408960978 570085839 /nfs/dbraw/zinc/08/58/39/570085839.db2.gz KRGOKCUPQPVVOV-VIZOYTHASA-N 0 0 488.190 5.752 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)c1 ZINC000408960941 570085924 /nfs/dbraw/zinc/08/59/24/570085924.db2.gz JWGBIWPANPDORW-HZHRSRAPSA-N 0 0 475.570 5.171 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1F ZINC000408961123 570085995 /nfs/dbraw/zinc/08/59/95/570085995.db2.gz AFSKUHDVIJNQES-YBFXNURJSA-N 0 0 460.361 6.432 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408961244 570085950 /nfs/dbraw/zinc/08/59/50/570085950.db2.gz LQAFHWWEXLIBRN-YBFXNURJSA-N 0 0 485.396 5.391 40 30 JKEBRN CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC ZINC000408961490 570085963 /nfs/dbraw/zinc/08/59/63/570085963.db2.gz CMPMDDBBTQHXHK-HWQJWEFDSA-N 0 0 479.371 5.666 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)S2)cc1 ZINC000408961283 570086051 /nfs/dbraw/zinc/08/60/51/570086051.db2.gz MFFWOMMJKNGTNR-WSDLNYQXSA-N 0 0 451.979 5.956 40 30 JKEBRN CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408961594 570086112 /nfs/dbraw/zinc/08/61/12/570086112.db2.gz NRTTUKICAOCIRF-HCZVKUGISA-N 0 0 491.407 5.535 40 30 JKEBRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408961595 570086155 /nfs/dbraw/zinc/08/61/55/570086155.db2.gz NRTTUKICAOCIRF-KZKLBEMASA-N 0 0 491.407 5.535 40 30 JKEBRN CCOc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC ZINC000408961545 570086186 /nfs/dbraw/zinc/08/61/86/570086186.db2.gz MYYRVCPWEAWFDR-RQZCQDPDSA-N 0 0 471.793 6.336 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)S2)cc1 ZINC000408962435 570086349 /nfs/dbraw/zinc/08/63/49/570086349.db2.gz SAYALCUVNYGFGZ-SRZZPIQSSA-N 0 0 472.397 6.301 40 30 JKEBRN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)c1C ZINC000408962739 570086566 /nfs/dbraw/zinc/08/65/66/570086566.db2.gz UHBCOAJOFRQEQL-YBFXNURJSA-N 0 0 487.364 6.240 40 30 JKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408962705 570086571 /nfs/dbraw/zinc/08/65/71/570086571.db2.gz JLMDAQMIVQXBJK-WSDLNYQXSA-N 0 0 451.979 5.956 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)S2)cc1 ZINC000408963125 570086609 /nfs/dbraw/zinc/08/66/09/570086609.db2.gz ADCHLQYZBACCPP-HYARGMPZSA-N 0 0 479.399 6.228 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OC)c1OCc1ccccc1 ZINC000408963573 570086715 /nfs/dbraw/zinc/08/67/15/570086715.db2.gz CHEDIPSVUYVZEV-KOEQRZSOSA-N 0 0 470.594 6.203 40 30 JKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 ZINC000408963464 570086798 /nfs/dbraw/zinc/08/67/98/570086798.db2.gz ZPEIQBBVXHBKCS-VCHYOVAHSA-N 0 0 463.773 7.107 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)S2)cc1 ZINC000408963998 570086864 /nfs/dbraw/zinc/08/68/64/570086864.db2.gz FBXJJUKPSOWAOP-ZMOGYAJESA-N 0 0 492.431 7.196 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)S2)cc1 ZINC000408963927 570086919 /nfs/dbraw/zinc/08/69/19/570086919.db2.gz DUNWJZMZUSDJER-WYMPLXKRSA-N 0 0 492.431 7.196 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc2ncccc2c1 ZINC000408964159 570086921 /nfs/dbraw/zinc/08/69/21/570086921.db2.gz CBAGIGSTTRXMPY-QFEZKATASA-N 0 0 451.311 5.998 40 30 JKEBRN O=C(COc1ccccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O)Nc1ccccc1 ZINC000408964264 570086965 /nfs/dbraw/zinc/08/69/65/570086965.db2.gz QGZZURCIUWHXKA-DEDYPNTBSA-N 0 0 498.391 5.903 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)S2)cc1 ZINC000408964826 570087076 /nfs/dbraw/zinc/08/70/76/570087076.db2.gz HTFGGIIZLVBYSR-WGOQTCKBSA-N 0 0 468.553 6.758 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)c1 ZINC000408964790 570087113 /nfs/dbraw/zinc/08/71/13/570087113.db2.gz FAIDEGDXDZIOAH-OYKKKHCWSA-N 0 0 472.326 5.626 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1 ZINC000408964904 570087118 /nfs/dbraw/zinc/08/71/18/570087118.db2.gz ILXRUIJRXZVRNG-UFWORHAWSA-N 0 0 474.325 6.362 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 ZINC000408964911 570087136 /nfs/dbraw/zinc/08/71/36/570087136.db2.gz IMHSXSUCLIEKIY-VCHYOVAHSA-N 0 0 490.324 6.062 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OC(C)C ZINC000408965324 570087220 /nfs/dbraw/zinc/08/72/20/570087220.db2.gz KFBRQOGITDMWLR-LICLKQGHSA-N 0 0 485.820 6.724 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408965255 570087229 /nfs/dbraw/zinc/08/72/29/570087229.db2.gz VBCWRPGWIXFGFQ-UDWIEESQSA-N 0 0 456.398 6.601 40 30 JKEBRN CN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=Nc1ccc2ccccc2c1 ZINC000408965624 570087352 /nfs/dbraw/zinc/08/73/52/570087352.db2.gz WLKYCYYZQQQRLB-AXBFJITISA-N 0 0 486.334 5.384 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)c1 ZINC000408966332 570087468 /nfs/dbraw/zinc/08/74/68/570087468.db2.gz LPHOULYUWRFACM-DHRITJCHSA-N 0 0 459.771 6.437 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408966024 570087507 /nfs/dbraw/zinc/08/75/07/570087507.db2.gz MLUCFCKAPHYSLI-HYARGMPZSA-N 0 0 461.499 5.074 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)S2)cc1 ZINC000408966683 570087613 /nfs/dbraw/zinc/08/76/13/570087613.db2.gz NOBQYJXLDPNVBR-XYGWBWBKSA-N 0 0 468.582 5.933 40 30 JKEBRN N#CCOc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408966538 570087630 /nfs/dbraw/zinc/08/76/30/570087630.db2.gz PAHDJERPIFBZIJ-OQLLNIDSSA-N 0 0 483.174 5.550 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408966591 570087635 /nfs/dbraw/zinc/08/76/35/570087635.db2.gz PHYQSZHBDPTLNL-HWQJWEFDSA-N 0 0 451.375 6.071 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1 ZINC000408967070 570087730 /nfs/dbraw/zinc/08/77/30/570087730.db2.gz PBQLHXPUFDQDRH-FMFFXOCNSA-N 0 0 480.652 7.489 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966742 570087757 /nfs/dbraw/zinc/08/77/57/570087757.db2.gz NETPWZFZBBONMJ-ZHWKOZAQSA-N 0 0 471.670 7.242 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)c1C ZINC000408967005 570087786 /nfs/dbraw/zinc/08/77/86/570087786.db2.gz ORBKTNVOSURXOQ-XMQVWRILSA-N 0 0 465.622 7.044 40 30 JKEBRN COc1cccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408967174 570087857 /nfs/dbraw/zinc/08/78/57/570087857.db2.gz SYZKYJRSICYMSB-HYARGMPZSA-N 0 0 491.544 5.052 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000408967198 570087858 /nfs/dbraw/zinc/08/78/58/570087858.db2.gz TYTHWXHZXQMWAN-PCLIKHOPSA-N 0 0 453.567 5.898 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408967320 570087872 /nfs/dbraw/zinc/08/78/72/570087872.db2.gz UXGGYSUUEAXXKA-CPNJWEJPSA-N 0 0 471.376 5.060 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Br ZINC000408967312 570087878 /nfs/dbraw/zinc/08/78/78/570087878.db2.gz UWOGPAVNJKTGOQ-HCZVKUGISA-N 0 0 461.381 5.527 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967492 570087966 /nfs/dbraw/zinc/08/79/66/570087966.db2.gz SNUGGWBQJAYMRL-QXUDOOCXSA-N 0 0 459.637 7.861 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1C ZINC000408967363 570087968 /nfs/dbraw/zinc/08/79/68/570087968.db2.gz QDFIZTGOIXLTOJ-YOIRLTMBSA-N 0 0 450.007 6.544 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(F)cc4)N(CC)C3=O)c2C)c1 ZINC000408967460 570088004 /nfs/dbraw/zinc/08/80/04/570088004.db2.gz RTCPOFGFTYLJST-NWEZUEQQSA-N 0 0 491.588 6.034 40 30 JKEBRN Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968003 570088090 /nfs/dbraw/zinc/08/80/90/570088090.db2.gz TYKCFMIMHFVZRQ-YSMPRRRNSA-N 0 0 470.398 7.055 40 30 JKEBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1C#N ZINC000408969211 570088324 /nfs/dbraw/zinc/08/83/24/570088324.db2.gz JGXYFVZCZKIGIM-HMAPJEAMSA-N 0 0 491.469 5.884 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(Br)o1)CCCCCC2 ZINC000408969288 570088363 /nfs/dbraw/zinc/08/83/63/570088363.db2.gz KVDWBSFNWNONRY-ZVHZXABRSA-N 0 0 457.393 6.766 40 30 JKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(OC)c1 ZINC000408970461 570088617 /nfs/dbraw/zinc/08/86/17/570088617.db2.gz IHEBOIFUAUFJFI-TWKHWXDSSA-N 0 0 489.685 7.265 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br ZINC000408971799 570088789 /nfs/dbraw/zinc/08/87/89/570088789.db2.gz QIMMCGBWUVUZBX-JVWAILMASA-N 0 0 497.458 7.181 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc(Br)c3)sc3c2CCCCCC3)c1 ZINC000408971931 570088958 /nfs/dbraw/zinc/08/89/58/570088958.db2.gz MEPGJYNJNBXGJJ-LQKURTRISA-N 0 0 495.486 7.789 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(C)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1 ZINC000408972101 570088969 /nfs/dbraw/zinc/08/89/69/570088969.db2.gz RVKSQCOVPHIYKQ-LQKURTRISA-N 0 0 475.614 7.243 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCCCCC2 ZINC000408972640 570089021 /nfs/dbraw/zinc/08/90/21/570089021.db2.gz UBZCPCZUGJLHBA-RDRPBHBLSA-N 0 0 499.592 7.578 40 30 JKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408973304 570089105 /nfs/dbraw/zinc/08/91/05/570089105.db2.gz AMMLGKCGVNCWKJ-JVWAILMASA-N 0 0 472.570 6.847 40 30 JKEBRN C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OCC)c1O ZINC000408973161 570089120 /nfs/dbraw/zinc/08/91/20/570089120.db2.gz ZHWZWAQPUILLIN-NDZAJKAJSA-N 0 0 488.653 7.243 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/nfs/dbraw/zinc/09/17/09/570091709.db2.gz IPPZAABJAAJGJC-SUOUMBACSA-N 0 0 460.559 5.084 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408985211 570092141 /nfs/dbraw/zinc/09/21/41/570092141.db2.gz AFXSRBUPRVTWJW-YSMPRRRNSA-N 0 0 490.600 6.620 40 30 JKEBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCc1ccccc1C#N ZINC000408986655 570092566 /nfs/dbraw/zinc/09/25/66/570092566.db2.gz CTQNSMDETSWNRP-UHFFFAOYSA-N 0 0 471.582 6.182 40 30 JKEBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C#N)cc3)C2=O)cc1Br ZINC000408987439 570092823 /nfs/dbraw/zinc/09/28/23/570092823.db2.gz XSHRJYZKNHZXCP-KGENOOAVSA-N 0 0 471.354 6.191 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000408987461 570092848 /nfs/dbraw/zinc/09/28/48/570092848.db2.gz OUAYKWNSWJIMJC-UDWIEESQSA-N 0 0 488.754 6.784 40 30 JKEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000408989575 570093501 /nfs/dbraw/zinc/09/35/01/570093501.db2.gz IJUMUJVPBTYCQC-BOPFTXTBSA-N 0 0 480.552 5.840 40 30 JKEBRN O=C1/C(=C/c2ccc(Sc3cccc4cccnc43)o2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000408990691 570093897 /nfs/dbraw/zinc/09/38/97/570093897.db2.gz LJXKHCHDKCABBY-FUQNBHHBSA-N 0 0 497.645 7.526 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)S2)cc1[N+](=O)[O-] ZINC000408991409 570094051 /nfs/dbraw/zinc/09/40/51/570094051.db2.gz NVILABBUCJWIDB-MOSHPQCFSA-N 0 0 488.550 6.087 40 30 JKEBRN COc1ccc(OC)c(COc2ccc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)cc2)c1 ZINC000408990922 570094083 /nfs/dbraw/zinc/09/40/83/570094083.db2.gz OZVSTOCKKZZNKL-QFEZKATASA-N 0 0 474.582 5.791 40 30 JKEBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OCc1ccccc1C#N ZINC000408991022 570094089 /nfs/dbraw/zinc/09/40/89/570094089.db2.gz PKUMFXMYABMPSA-UHFFFAOYSA-N 0 0 457.555 5.792 40 30 JKEBRN COc1ccc(OC)c(COc2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)cc2)c1 ZINC000408992628 570094477 /nfs/dbraw/zinc/09/44/77/570094477.db2.gz ULQGWVPECCRBMT-OYKKKHCWSA-N 0 0 460.555 5.483 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2cccc3cccnc32)o1 ZINC000408994248 570094967 /nfs/dbraw/zinc/09/49/67/570094967.db2.gz YMMNFRLNTWWIMC-UYRXBGFRSA-N 0 0 463.971 6.524 40 30 JKEBRN Cc1cccc2c(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)c(-c3ccccc3)[nH]c21 ZINC000408994253 570094978 /nfs/dbraw/zinc/09/49/78/570094978.db2.gz YNSCMIXGUXRVJK-KBOBXUKQSA-N 0 0 491.660 8.080 40 30 JKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408996612 570095447 /nfs/dbraw/zinc/09/54/47/570095447.db2.gz JGUSLSOFVILSPP-KQWNVCNZSA-N 0 0 491.996 6.463 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000408997239 570095575 /nfs/dbraw/zinc/09/55/75/570095575.db2.gz MEZTZQBIJQZHKK-WSDLNYQXSA-N 0 0 469.532 6.621 40 30 JKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408997520 570095690 /nfs/dbraw/zinc/09/56/90/570095690.db2.gz MUFPSYAJERDQSV-ULJHMMPZSA-N 0 0 471.578 6.118 40 30 JKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C1=O 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CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000409023773 570103815 /nfs/dbraw/zinc/10/38/15/570103815.db2.gz PEUPXJVLAXYMCC-GIJQJNRQSA-N 0 0 491.794 5.998 40 30 JKEBRN Cc1ccccc1C(=O)Oc1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000409026993 570104651 /nfs/dbraw/zinc/10/46/51/570104651.db2.gz NNCQEHNJEAJBKY-AFUMVMLFSA-N 0 0 458.499 5.692 40 30 JKEBRN C=C1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](OC(=O)c4ccccc4)CC[C@@H]3[C@@H]12 ZINC000253612328 570104732 /nfs/dbraw/zinc/10/47/32/570104732.db2.gz IQNLADADEQVSMP-MXWBWHGRSA-N 0 0 450.619 6.353 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C#Cc4ccccc4)OC(C)=O)[C@H]3CC[C@H]2C1 ZINC000253612290 570104743 /nfs/dbraw/zinc/10/47/43/570104743.db2.gz GUVMUMWXSXVALS-DIMNTTOMSA-N 0 0 476.657 6.314 40 30 JKEBRN C=C1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](OC(=O)c4ccccc4)CC[C@@H]3[C@@H]12 ZINC000253612326 570104745 /nfs/dbraw/zinc/10/47/45/570104745.db2.gz 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/nfs/dbraw/zinc/10/56/00/570105600.db2.gz AGOVQOVWWMHRDJ-LGUSAWBASA-N 0 0 472.788 6.032 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000409029474 570105631 /nfs/dbraw/zinc/10/56/31/570105631.db2.gz AFSGJHWNKQJCCP-HIUVJMHLSA-N 0 0 496.224 6.166 40 30 JKEBRN Cc1c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409029996 570105641 /nfs/dbraw/zinc/10/56/41/570105641.db2.gz BIOJRVDWRAGNJB-HHVXFKTKSA-N 0 0 493.426 7.328 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409030529 570105768 /nfs/dbraw/zinc/10/57/68/570105768.db2.gz DTAGZJQKTWQVIH-KNBZMSCYSA-N 0 0 478.795 6.786 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409032198 570105915 /nfs/dbraw/zinc/10/59/15/570105915.db2.gz LNSSUAINMNLDCL-PZOKPFNQSA-N 0 0 463.180 6.286 40 30 JKEBRN CCOC(=O)[C@@H]1/C(=N/N=C(c2ccccc2)c2ccccc2)C[C@@](C)(O)C[C@H]1c1ccccc1 ZINC000254550545 570105960 /nfs/dbraw/zinc/10/59/60/570105960.db2.gz RHNXRVZLOFJVJW-OYPLCCMISA-N 0 0 454.570 5.388 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409031601 570105963 /nfs/dbraw/zinc/10/59/63/570105963.db2.gz HPKGJZWENBISNP-PZOKPFNQSA-N 0 0 463.180 6.286 40 30 JKEBRN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409033578 570106118 /nfs/dbraw/zinc/10/61/18/570106118.db2.gz FQVCQDGTLMCOGS-UHFFFAOYSA-N 0 0 496.604 5.326 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OCC)c1OCc1cccc(F)c1 ZINC000409034594 570106345 /nfs/dbraw/zinc/10/63/45/570106345.db2.gz IAKWUHSJJOHUFV-HCNMGLPWSA-N 0 0 496.398 6.246 40 30 JKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409034873 570106356 /nfs/dbraw/zinc/10/63/56/570106356.db2.gz IHENUFQYUNCCGB-LGUSAWBASA-N 0 0 476.352 5.620 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409035031 570106358 /nfs/dbraw/zinc/10/63/58/570106358.db2.gz OXCOSHHEENRBSH-NHDPSOOVSA-N 0 0 487.046 6.047 40 30 JKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1cccc2ccccc21 ZINC000409035465 570106465 /nfs/dbraw/zinc/10/64/65/570106465.db2.gz JBVNNPAUNJLNQV-JJKQSNDFSA-N 0 0 481.415 6.865 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1Cl ZINC000409035137 570106492 /nfs/dbraw/zinc/10/64/92/570106492.db2.gz IVUWHMDCDIPWIE-VJSJDFBDSA-N 0 0 492.962 6.135 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409035865 570106608 /nfs/dbraw/zinc/10/66/08/570106608.db2.gz QNKPCTWXQHIZFY-FLUNURKVSA-N 0 0 463.180 6.286 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409036432 570106719 /nfs/dbraw/zinc/10/67/19/570106719.db2.gz WDDNQZMLOJFCQP-JYRVWZFOSA-N 0 0 486.318 6.467 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409037376 570106801 /nfs/dbraw/zinc/10/68/01/570106801.db2.gz NHTQERUXHDMSFY-JQAMDZJQSA-N 0 0 473.186 5.742 40 30 JKEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C#N)cc1 ZINC000409037413 570106839 /nfs/dbraw/zinc/10/68/39/570106839.db2.gz CGNPGOLKGAASIS-VPUKRXIYSA-N 0 0 463.353 5.250 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409037707 570106878 /nfs/dbraw/zinc/10/68/78/570106878.db2.gz UISCMHGYZKADNF-LGJNPRDNSA-N 0 0 472.397 7.027 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCC#N ZINC000409037738 570106881 /nfs/dbraw/zinc/10/68/81/570106881.db2.gz YVYSHOSZMGMNNV-YHYXMXQVSA-N 0 0 476.188 5.397 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409038536 570107000 /nfs/dbraw/zinc/10/70/00/570107000.db2.gz PBEJFAFATRMLMW-KNBZMSCYSA-N 0 0 478.795 6.786 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc2ccccc21 ZINC000409038720 570107025 /nfs/dbraw/zinc/10/70/25/570107025.db2.gz VOGPSMYIFMHLND-FTCYSYDXSA-N 0 0 474.376 6.141 40 30 JKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@@H](OC)[C@H](OCc4ccccc4Cl)C=C3)S2)cc1 ZINC000256055841 570107054 /nfs/dbraw/zinc/10/70/54/570107054.db2.gz WGNOODYMSXCBRC-ARYBFRPVSA-N 0 0 481.017 5.733 40 30 JKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@H](OC)[C@@H](OCc4ccccc4Cl)C=C3)S2)cc1 ZINC000256055844 570107064 /nfs/dbraw/zinc/10/70/64/570107064.db2.gz WGNOODYMSXCBRC-RSODUMFSSA-N 0 0 481.017 5.733 40 30 JKEBRN C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1=C(OC(C)=O)C3=O ZINC000256418927 570107105 /nfs/dbraw/zinc/10/71/05/570107105.db2.gz GYOCEEBUMQUZSK-WZAQWFDQSA-N 0 0 496.644 5.658 40 30 JKEBRN C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)C1=C(OC(C)=O)C3=O ZINC000256418909 570107159 /nfs/dbraw/zinc/10/71/59/570107159.db2.gz GYOCEEBUMQUZSK-JLJOPKPWSA-N 0 0 496.644 5.658 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCCC(C)C)[C@]1(C)CC3=O ZINC000256765674 570107189 /nfs/dbraw/zinc/10/71/89/570107189.db2.gz MMVITYGCRCBTDU-HNUWEIOYSA-N 0 0 498.748 7.488 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409040988 570107451 /nfs/dbraw/zinc/10/74/51/570107451.db2.gz ZLVCVPLRZKUEKB-BMWVXGTQSA-N 0 0 472.788 5.950 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1Cl ZINC000409041828 570107739 /nfs/dbraw/zinc/10/77/39/570107739.db2.gz JZQRBARMFNVTQT-UYRXBGFRSA-N 0 0 461.370 5.009 40 30 JKEBRN CCCCOc1c(Br)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC ZINC000409042180 570107765 /nfs/dbraw/zinc/10/77/65/570107765.db2.gz WQEZLHCICSZVFU-YCPBAFNGSA-N 0 0 483.222 5.741 40 30 JKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccc(Cl)cc1 ZINC000409042237 570107767 /nfs/dbraw/zinc/10/77/67/570107767.db2.gz WUEPIRIOGSEWHE-OXUBWTJQSA-N 0 0 458.761 5.642 40 30 JKEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000409041948 570107791 /nfs/dbraw/zinc/10/77/91/570107791.db2.gz LKRVQTSSNTWCKU-LYOXXKGGSA-N 0 0 484.555 5.492 40 30 JKEBRN CC[C@@H](C)n1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 ZINC000409043548 570108160 /nfs/dbraw/zinc/10/81/60/570108160.db2.gz MXHUIJGQSUPNSZ-AFSLVCHRSA-N 0 0 459.409 7.250 40 30 JKEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1c3ccccc3cc3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000409044149 570108245 /nfs/dbraw/zinc/10/82/45/570108245.db2.gz BAQSGJNXBISJLU-ITHFGJKNSA-N 0 0 478.551 6.219 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC(F)(F)F)cc1 ZINC000409044750 570108447 /nfs/dbraw/zinc/10/84/47/570108447.db2.gz HOUCAHWDJBADMI-IZZDOVSWSA-N 0 0 450.285 5.129 40 30 JKEBRN O=C1CCCC2=C1C(c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C1=C(CCCC1=O)O2 ZINC000409045093 570108450 /nfs/dbraw/zinc/10/84/50/570108450.db2.gz FMOBYZNEFSPBPI-UHFFFAOYSA-N 0 0 487.354 6.840 40 30 JKEBRN CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409045443 570108561 /nfs/dbraw/zinc/10/85/61/570108561.db2.gz YLPVGINHTLGKQU-UHFFFAOYSA-N 0 0 490.471 7.098 40 30 JKEBRN CC(C)COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409045766 570108702 /nfs/dbraw/zinc/10/87/02/570108702.db2.gz HMKFOPUEQRYTRS-UHFFFAOYSA-N 0 0 491.455 7.428 40 30 JKEBRN C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000409046071 570108715 /nfs/dbraw/zinc/10/87/15/570108715.db2.gz IHJHMMGDVDHODT-UHFFFAOYSA-N 0 0 472.412 5.979 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409047878 570109201 /nfs/dbraw/zinc/10/92/01/570109201.db2.gz NOUUPVBCWCEBFX-FXMZOFOKSA-N 0 0 479.352 5.616 40 30 JKEBRN COc1c(Br)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Br ZINC000409047894 570109209 /nfs/dbraw/zinc/10/92/09/570109209.db2.gz PXXRBQUDVBNUEJ-UHFFFAOYSA-N 0 0 482.168 5.348 40 30 JKEBRN Fc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409047789 570109217 /nfs/dbraw/zinc/10/92/17/570109217.db2.gz UVVKWWAMTZSLOF-WBSLIQCRSA-N 0 0 481.170 6.425 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000409049617 570109625 /nfs/dbraw/zinc/10/96/25/570109625.db2.gz XIGWNRMNNDNMLJ-LICLKQGHSA-N 0 0 497.197 6.004 40 30 JKEBRN N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409048877 570109365 /nfs/dbraw/zinc/10/93/65/570109365.db2.gz XPDKLCJILNAHKR-HIUVJMHLSA-N 0 0 498.196 5.614 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OC)c1OCC ZINC000409049272 570109521 /nfs/dbraw/zinc/10/95/21/570109521.db2.gz YQYGTTUNEPPBGX-NTEUORMPSA-N 0 0 466.406 5.324 40 30 JKEBRN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc2n1C ZINC000409050390 570109798 /nfs/dbraw/zinc/10/97/98/570109798.db2.gz VGNPGRLMVGVQLX-LDADJPATSA-N 0 0 497.414 6.414 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409051131 570109939 /nfs/dbraw/zinc/10/99/39/570109939.db2.gz ALHSECNYCKYYMX-KQWNVCNZSA-N 0 0 486.593 5.264 40 30 JKEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409052101 570110168 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570112557 /nfs/dbraw/zinc/11/25/57/570112557.db2.gz WBGFZMIGQBYHNZ-CFRMEGHHSA-N 0 0 474.969 6.336 40 30 JKEBRN CC(C)COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409057617 570112580 /nfs/dbraw/zinc/11/25/80/570112580.db2.gz QDQFMQLXMNRUSC-UHFFFAOYSA-N 0 0 490.471 7.001 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409059151 570113116 /nfs/dbraw/zinc/11/31/16/570113116.db2.gz UKSFWHMPUOUMDE-FSJBWODESA-N 0 0 465.314 5.728 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409059740 570113502 /nfs/dbraw/zinc/11/35/02/570113502.db2.gz NXBAIBSCXQOQKN-PDGQHHTCSA-N 0 0 450.343 6.198 40 30 JKEBRN C=CCc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc(OCC)c1OCc1ccccc1C#N ZINC000409059826 570113505 /nfs/dbraw/zinc/11/35/05/570113505.db2.gz XTCZNBGBRCTEAP-UXHLAJHPSA-N 0 0 495.608 5.694 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409060351 570113815 /nfs/dbraw/zinc/11/38/15/570113815.db2.gz QMSSYDRRKQXPJB-BOPFTXTBSA-N 0 0 478.751 5.364 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409060404 570113873 /nfs/dbraw/zinc/11/38/73/570113873.db2.gz ZOVITRNXGWGDQE-STZFKDTASA-N 0 0 493.968 5.770 40 30 JKEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409061603 570114546 /nfs/dbraw/zinc/11/45/46/570114546.db2.gz YFYWBKNWKVYCGX-UUYOSTAYSA-N 0 0 481.360 6.685 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2c(OCC)ccc3ccc(OCC)cc32)sc2c1CCCC2 ZINC000409062883 570115201 /nfs/dbraw/zinc/11/52/01/570115201.db2.gz CITKRQFNTPUACV-JVWAILMASA-N 0 0 451.588 6.505 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc21 ZINC000409063047 570115327 /nfs/dbraw/zinc/11/53/27/570115327.db2.gz GCHUDKSNDJVDOI-NDENLUEZSA-N 0 0 476.920 6.106 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1C#N ZINC000409063992 570115733 /nfs/dbraw/zinc/11/57/33/570115733.db2.gz AYORDHMFRRUFMN-IPPBACCNSA-N 0 0 484.434 5.909 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O ZINC000409064389 570115787 /nfs/dbraw/zinc/11/57/87/570115787.db2.gz DGZPNDKKMOASFG-FYJGNVAPSA-N 0 0 467.388 5.983 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409064363 570115813 /nfs/dbraw/zinc/11/58/13/570115813.db2.gz DEPUKZJNTYVWPT-UDWIEESQSA-N 0 0 451.935 5.156 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409064364 570115840 /nfs/dbraw/zinc/11/58/40/570115840.db2.gz GVRMCIQVQWDIQW-BRJLIKDPSA-N 0 0 451.857 6.864 40 30 JKEBRN S=C1N=NC(c2ccccc2)N1N=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409064551 570115851 /nfs/dbraw/zinc/11/58/51/570115851.db2.gz CZBFTXBNRAEJFC-DHRITJCHSA-N 0 0 499.821 6.111 40 30 JKEBRN CCOC(=O)c1c2c(sc1/N=C\c1cccc(Oc3nc(Cl)ncc3F)c1)CCCC2 ZINC000409064941 570115914 /nfs/dbraw/zinc/11/59/14/570115914.db2.gz REUKHEWDVDXSIG-GATIEOLUSA-N 0 0 459.930 5.929 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409064681 570115919 /nfs/dbraw/zinc/11/59/19/570115919.db2.gz FFCJWGNGQGUHKZ-KGENOOAVSA-N 0 0 466.515 5.133 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(I)c1OC(C)C ZINC000409065248 570116070 /nfs/dbraw/zinc/11/60/70/570116070.db2.gz HARALNUNVIAKBB-PGGKNCGUSA-N 0 0 493.267 5.337 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409065042 570116080 /nfs/dbraw/zinc/11/60/80/570116080.db2.gz GURBLRGLJWVRBD-HIWRWHBISA-N 0 0 499.920 7.331 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409065469 570116229 /nfs/dbraw/zinc/11/62/29/570116229.db2.gz MACCVADKEOSXFV-RPPGKUMJSA-N 0 0 494.267 6.401 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O ZINC000409066361 570116496 /nfs/dbraw/zinc/11/64/96/570116496.db2.gz AIUMIZNTAJJIRB-VCHYOVAHSA-N 0 0 484.788 6.457 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000409066837 570116774 /nfs/dbraw/zinc/11/67/74/570116774.db2.gz CSIRZBNTTNRFLH-LPYMAVHISA-N 0 0 475.320 5.184 40 30 JKEBRN CCOC(=O)c1c2c(sc1/N=C\c1ccc(-c3cc(C(=O)OC)ccc3Cl)o1)CCCC2 ZINC000409066891 570116805 /nfs/dbraw/zinc/11/68/05/570116805.db2.gz XCMSHJQYRYTBQC-ZMFRSBBQSA-N 0 0 471.962 6.254 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409067047 570116807 /nfs/dbraw/zinc/11/68/07/570116807.db2.gz NOARLZMDZIUNOL-LICLKQGHSA-N 0 0 450.394 5.628 40 30 JKEBRN COCc1cc(C)nc(N=NCc2c(Oc3nc(Cl)ncc3F)ccc3ccccc32)c1C#N ZINC000409067295 570116895 /nfs/dbraw/zinc/11/68/95/570116895.db2.gz XJIIGZFMJLWQRJ-VPUKRXIYSA-N 0 0 476.899 5.382 40 30 JKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)o2)cc1 ZINC000409067337 570116896 /nfs/dbraw/zinc/11/68/96/570116896.db2.gz XRARPMFKJLJJNA-KQWNVCNZSA-N 0 0 476.554 5.804 40 30 JKEBRN C=CCc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000409067367 570116899 /nfs/dbraw/zinc/11/68/99/570116899.db2.gz CQUUBIITPXBUIO-UHFFFAOYSA-N 0 0 468.509 5.016 40 30 JKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(OCc4ccccc4Cl)c3)n2)c1 ZINC000409067096 570116904 /nfs/dbraw/zinc/11/69/04/570116904.db2.gz PCNRNSOFFDAUDW-DHRITJCHSA-N 0 0 464.934 6.397 40 30 JKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)sc2c1CCCC2 ZINC000409067539 570117034 /nfs/dbraw/zinc/11/70/34/570117034.db2.gz YTESOFZFHYBQKG-WGARJPEWSA-N 0 0 485.447 6.724 40 30 JKEBRN C#CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409067489 570117051 /nfs/dbraw/zinc/11/70/51/570117051.db2.gz YHCGPWLGLQBGCZ-BHGWPJFGSA-N 0 0 486.244 5.233 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCc1ccccc1F ZINC000409068070 570117163 /nfs/dbraw/zinc/11/71/63/570117163.db2.gz HFJUOCXFGICZNR-LFVJCYFKSA-N 0 0 456.517 5.948 40 30 JKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000409068607 570117452 /nfs/dbraw/zinc/11/74/52/570117452.db2.gz UECYJHYGYPQMDK-UHFFFAOYSA-N 0 0 475.629 5.962 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000409069423 570117681 /nfs/dbraw/zinc/11/76/81/570117681.db2.gz IWWXIBOCNUHVLF-NSKAYECMSA-N 0 0 471.266 6.774 40 30 JKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)nc1 ZINC000409069792 570117830 /nfs/dbraw/zinc/11/78/30/570117830.db2.gz WRKOQTNKTGMMGZ-VYVUJPJFSA-N 0 0 463.290 6.856 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409070149 570117978 /nfs/dbraw/zinc/11/79/78/570117978.db2.gz DPXFOVFZTKCRTM-PXLXIMEGSA-N 0 0 453.535 5.754 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409070327 570118017 /nfs/dbraw/zinc/11/80/17/570118017.db2.gz ZZWYGGUCRXLKBK-LICLKQGHSA-N 0 0 482.758 6.043 40 30 JKEBRN O=[N+]([O-])c1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409070602 570118060 /nfs/dbraw/zinc/11/80/60/570118060.db2.gz COLASWIZMLZJKC-WSDLNYQXSA-N 0 0 495.738 5.529 40 30 JKEBRN C#CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409070477 570118065 /nfs/dbraw/zinc/11/80/65/570118065.db2.gz 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JKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)ccc1C ZINC000409087974 570123759 /nfs/dbraw/zinc/12/37/59/570123759.db2.gz VLEDGESFFIJPFO-XSZJBBQGSA-N 0 0 495.088 7.872 40 30 JKEBRN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409087958 570123778 /nfs/dbraw/zinc/12/37/78/570123778.db2.gz DEBFBYHOWTVYCD-UHFFFAOYSA-N 0 0 450.619 7.046 40 30 JKEBRN O=C1CCCC2=C1C(c1ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)C1=C(CCCC1=O)O2 ZINC000409088498 570123875 /nfs/dbraw/zinc/12/38/75/570123875.db2.gz KCJVDHIVNWTZJK-UHFFFAOYSA-N 0 0 476.441 5.423 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409088119 570123922 /nfs/dbraw/zinc/12/39/22/570123922.db2.gz DGQRNUIWZKWPOO-MOSHPQCFSA-N 0 0 479.286 5.281 40 30 JKEBRN Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc([N+](=O)[O-])c1C ZINC000409088962 570124158 /nfs/dbraw/zinc/12/41/58/570124158.db2.gz LFILRHNQHWMNBX-UETRGQPKSA-N 0 0 461.587 7.306 40 30 JKEBRN 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CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409092066 570125106 /nfs/dbraw/zinc/12/51/06/570125106.db2.gz SRHJOEAPNJLHRM-YNJVHSRFSA-N 0 0 480.992 7.072 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1I ZINC000409091780 570125130 /nfs/dbraw/zinc/12/51/30/570125130.db2.gz UNXIOFGKJHIVFG-REMUQMNCSA-N 0 0 478.399 6.135 40 30 JKEBRN CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409092296 570125178 /nfs/dbraw/zinc/12/51/78/570125178.db2.gz VHGCQXQDXGGAQE-XKZIYDEJSA-N 0 0 479.964 5.415 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)sc2C1 ZINC000409092317 570125185 /nfs/dbraw/zinc/12/51/85/570125185.db2.gz UGCFEEOQTTYZPC-OSGIAPPUSA-N 0 0 463.046 7.754 40 30 JKEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092171 570125189 /nfs/dbraw/zinc/12/51/89/570125189.db2.gz WCGZYSMCRDXHOU-BRJLIKDPSA-N 0 0 461.352 6.073 40 30 JKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 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COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1cccc(F)c1 ZINC000409094726 570126084 /nfs/dbraw/zinc/12/60/84/570126084.db2.gz FOWDJEIGGZXYOG-ORBVJSQLSA-N 0 0 498.274 6.036 40 30 JKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000409094539 570126108 /nfs/dbraw/zinc/12/61/08/570126108.db2.gz FPULLEBQVBKIEA-VYYDMKJGSA-N 0 0 479.001 6.552 40 30 JKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409094823 570126166 /nfs/dbraw/zinc/12/61/66/570126166.db2.gz GJOBMMYQUFRZAV-KIBLKLHPSA-N 0 0 481.723 5.984 40 30 JKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc21 ZINC000409095112 570126287 /nfs/dbraw/zinc/12/62/87/570126287.db2.gz GSYRTVHSPRNWQG-RWPZCVJISA-N 0 0 476.920 6.220 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409095034 570126313 /nfs/dbraw/zinc/12/63/13/570126313.db2.gz AYVFLYMQERJVNH-RGVLZGJSSA-N 0 0 478.397 6.366 40 30 JKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000409095416 570126370 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480.383 6.404 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000409097267 570127095 /nfs/dbraw/zinc/12/70/95/570127095.db2.gz GFCYONQRXBSXCA-MZJWZYIUSA-N 0 0 459.424 6.037 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409097423 570127215 /nfs/dbraw/zinc/12/72/15/570127215.db2.gz MNLOAUHFVHUWQN-WOJGMQOQSA-N 0 0 475.320 5.159 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000409097668 570127255 /nfs/dbraw/zinc/12/72/55/570127255.db2.gz NEKZWJUPHWKDMJ-ZCHNHGOOSA-N 0 0 469.610 5.370 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409097511 570127276 /nfs/dbraw/zinc/12/72/76/570127276.db2.gz NZBYPJJSVZPBDS-YSURURNPSA-N 0 0 451.697 5.975 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409097806 570127310 /nfs/dbraw/zinc/12/73/10/570127310.db2.gz JLFYXDWKIHDULX-JMIUGGIZSA-N 0 0 499.286 6.411 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OC ZINC000409098467 570127468 /nfs/dbraw/zinc/12/74/68/570127468.db2.gz QJZMUXKTKUPBFH-LSFURLLWSA-N 0 0 462.222 5.229 40 30 JKEBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409098348 570127500 /nfs/dbraw/zinc/12/75/00/570127500.db2.gz PWOXJAVNOYTIMH-KBSHCFNASA-N 0 0 491.352 5.042 40 30 JKEBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409098235 570127538 /nfs/dbraw/zinc/12/75/38/570127538.db2.gz KRQIEYNRFPZOPV-SRZZPIQSSA-N 0 0 476.989 5.657 40 30 JKEBRN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000409098799 570127552 /nfs/dbraw/zinc/12/75/52/570127552.db2.gz LZUZJGWSIFMDBS-GWVUPHRNSA-N 0 0 499.060 8.300 40 30 JKEBRN Cc1c(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Br)cc1 ZINC000409099745 570127987 /nfs/dbraw/zinc/12/79/87/570127987.db2.gz SLMAGAYUCHJXME-DHRITJCHSA-N 0 0 464.323 5.510 40 30 JKEBRN Cc1cc(=O)[nH]c(Sc2ccc(C=Nc3sc4c(c3C(=O)Nc3ccccc3)CCCC4)o2)n1 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469.507 6.561 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O ZINC000409103716 570129351 /nfs/dbraw/zinc/12/93/51/570129351.db2.gz FFKKQXTYUJDHFU-LDADJPATSA-N 0 0 477.323 5.093 40 30 JKEBRN C#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409104125 570129518 /nfs/dbraw/zinc/12/95/18/570129518.db2.gz DWCKCDYWXOBREF-HZHRSRAPSA-N 0 0 488.565 5.496 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000409104305 570129628 /nfs/dbraw/zinc/12/96/28/570129628.db2.gz CPBCLXUATFKLHU-OPJPQSSFSA-N 0 0 471.601 6.273 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000409104624 570129635 /nfs/dbraw/zinc/12/96/35/570129635.db2.gz KILDVCHTINHVSB-RPPGKUMJSA-N 0 0 494.267 6.401 40 30 JKEBRN O=C(COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)Nc1ccccc1 ZINC000409104886 570129757 /nfs/dbraw/zinc/12/97/57/570129757.db2.gz KRZOWEWPVFTKCY-LGJNPRDNSA-N 0 0 458.396 5.077 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409104899 570129780 /nfs/dbraw/zinc/12/97/80/570129780.db2.gz KVOOQKSTPWAQBI-KVSWJAHQSA-N 0 0 487.507 6.279 40 30 JKEBRN C=CCc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409105029 570129801 /nfs/dbraw/zinc/12/98/01/570129801.db2.gz HVBMWLVBTKBBHR-CVKSISIWSA-N 0 0 477.477 5.050 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1C#N ZINC000409105352 570129946 /nfs/dbraw/zinc/12/99/46/570129946.db2.gz IQBDTLIZVSYTBL-PNQUVVCRSA-N 0 0 474.870 6.049 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Sc3ncccn3)o2)sc2c1CCCC2 ZINC000409105611 570130049 /nfs/dbraw/zinc/13/00/49/570130049.db2.gz JXZRUWZBIQTZEW-JFLMPSFJSA-N 0 0 460.584 6.164 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409105969 570130114 /nfs/dbraw/zinc/13/01/14/570130114.db2.gz PUPDGXOMIHNCLW-WOJGMQOQSA-N 0 0 478.339 5.398 40 30 JKEBRN COC(=O)c1ccccc1-n1c(C)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409106356 570130240 /nfs/dbraw/zinc/13/02/40/570130240.db2.gz RMCSJKNTHDISQN-RPPGKUMJSA-N 0 0 460.412 5.254 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409106110 570130252 /nfs/dbraw/zinc/13/02/52/570130252.db2.gz MJTQAKACQSDJEN-KTZMUZOWSA-N 0 0 480.226 5.308 40 30 JKEBRN CCOc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409106458 570130437 /nfs/dbraw/zinc/13/04/37/570130437.db2.gz RXWLXNHHPYTJDN-LSFURLLWSA-N 0 0 462.222 5.229 40 30 JKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000409106672 570130449 /nfs/dbraw/zinc/13/04/49/570130449.db2.gz SHYWYUARFRFMHT-IPBVOBEMSA-N 0 0 497.832 6.440 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Br)cc1F ZINC000409106788 570130557 /nfs/dbraw/zinc/13/05/57/570130557.db2.gz UIZSFQJETNDUDT-JQAMDZJQSA-N 0 0 455.253 5.856 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409107326 570130678 /nfs/dbraw/zinc/13/06/78/570130678.db2.gz RXTVHTFTONCSQF-BRJLIKDPSA-N 0 0 460.368 5.547 40 30 JKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000409107135 570130701 /nfs/dbraw/zinc/13/07/01/570130701.db2.gz QGORUJFGIALUCV-ZMOGYAJESA-N 0 0 471.311 5.176 40 30 JKEBRN O=C(Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21)Nc1ccc(F)cc1 ZINC000409107483 570130842 /nfs/dbraw/zinc/13/08/42/570130842.db2.gz WBRQNFMGQOTFIN-VPUKRXIYSA-N 0 0 455.415 5.279 40 30 JKEBRN FC(F)(F)c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)nc1 ZINC000409107916 570130953 /nfs/dbraw/zinc/13/09/53/570130953.db2.gz YCLGHMRUMGVVMF-YPXUMCKCSA-N 0 0 484.703 6.541 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000409108399 570131103 /nfs/dbraw/zinc/13/11/03/570131103.db2.gz XLBNQIPYSNLLHT-RQZCQDPDSA-N 0 0 451.773 5.732 40 30 JKEBRN C=CCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000409110089 570131831 /nfs/dbraw/zinc/13/18/31/570131831.db2.gz RBQKDADEICULKJ-UHFFFAOYSA-N 0 0 457.739 5.829 40 30 JKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1Cl ZINC000409110578 570132075 /nfs/dbraw/zinc/13/20/75/570132075.db2.gz WSLVENKHQXQNEU-UHFFFAOYSA-N 0 0 456.413 7.620 40 30 JKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110772 570132111 /nfs/dbraw/zinc/13/21/11/570132111.db2.gz GQMXRZSXLSEVGO-UHFFFAOYSA-N 0 0 496.563 7.315 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)sc2C1 ZINC000409111539 570132261 /nfs/dbraw/zinc/13/22/61/570132261.db2.gz JGLHOGUNIVZCGO-CTOFZRSPSA-N 0 0 475.639 7.581 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1N=C1C(=O)Nc3ccc(Br)cc31)CCCC2 ZINC000409111982 570132403 /nfs/dbraw/zinc/13/24/03/570132403.db2.gz AECPEPJTVWGHPJ-UHFFFAOYSA-N 0 0 480.387 5.715 40 30 JKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000409112613 570132772 /nfs/dbraw/zinc/13/27/72/570132772.db2.gz FMHKWUPJEFDMBI-CVKSISIWSA-N 0 0 477.495 5.522 40 30 JKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409112759 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JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409199475 570164642 /nfs/dbraw/zinc/16/46/42/570164642.db2.gz CZKWDYODMHNVHI-LGJNPRDNSA-N 0 0 463.202 7.648 40 30 JKEBRN Cc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1C ZINC000409199718 570164737 /nfs/dbraw/zinc/16/47/37/570164737.db2.gz CWAQANCAUSWBAD-FJEPWZHXSA-N 0 0 464.443 7.927 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409199779 570164780 /nfs/dbraw/zinc/16/47/80/570164780.db2.gz DJXCNPJTPNDANP-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)c(C)c1 ZINC000409199904 570164789 /nfs/dbraw/zinc/16/47/89/570164789.db2.gz FNYVBSYDSNVIGQ-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000409200116 570164846 /nfs/dbraw/zinc/16/48/46/570164846.db2.gz HBFOUDGPHPPDNK-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409200109 570164850 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476.773 7.278 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409202157 570165818 /nfs/dbraw/zinc/16/58/18/570165818.db2.gz PLLUAAOUCZYYAI-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409201825 570165651 /nfs/dbraw/zinc/16/56/51/570165651.db2.gz OFWBNUAWZVNFTH-BRJLIKDPSA-N 0 0 465.174 7.094 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409201883 570165694 /nfs/dbraw/zinc/16/56/94/570165694.db2.gz OWLOOQMXHXXBSR-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C)c1 ZINC000409201958 570165709 /nfs/dbraw/zinc/16/57/09/570165709.db2.gz PGLNRARJQWPZJP-ILMXCZOMSA-N 0 0 486.681 7.808 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409201882 570165719 /nfs/dbraw/zinc/16/57/19/570165719.db2.gz OLLSFLVQFDTQNK-OGLMXYFKSA-N 0 0 460.371 7.331 40 30 JKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409202027 570165728 /nfs/dbraw/zinc/16/57/28/570165728.db2.gz NSAUYGHJBKJSEU-YZSQISJMSA-N 0 0 497.332 6.245 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409202068 570165748 /nfs/dbraw/zinc/16/57/48/570165748.db2.gz ONMQCQNPTHNXJI-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN Clc1ccccc1COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409202141 570165755 /nfs/dbraw/zinc/16/57/55/570165755.db2.gz PHKBKHBOFQNZLI-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409202123 570165769 /nfs/dbraw/zinc/16/57/69/570165769.db2.gz PAGQZNHDISCLIE-UXHLAJHPSA-N 0 0 486.955 6.909 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409202113 570165805 /nfs/dbraw/zinc/16/58/05/570165805.db2.gz OYJPPQUXRHQZOR-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1Cl ZINC000409202089 570165810 /nfs/dbraw/zinc/16/58/10/570165810.db2.gz OTNPCHUUPUZEEZ-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409202051 570165815 /nfs/dbraw/zinc/16/58/15/570165815.db2.gz OHSDIQHIHSESQZ-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409202662 570165931 /nfs/dbraw/zinc/16/59/31/570165931.db2.gz SMVSQFWKTWNIHD-WKULSOCRSA-N 0 0 450.365 7.793 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409202670 570165988 /nfs/dbraw/zinc/16/59/88/570165988.db2.gz SSBBUXOYVSJXTE-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000409202667 570166009 /nfs/dbraw/zinc/16/60/09/570166009.db2.gz SNYZSKXRXCTVTD-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)N1C(C)C ZINC000409202656 570166023 /nfs/dbraw/zinc/16/60/23/570166023.db2.gz SMHSFQNUHDRZOW-FTIPTLOASA-N 0 0 479.387 5.171 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C ZINC000409202760 570166042 /nfs/dbraw/zinc/16/60/42/570166042.db2.gz UOYRDMMQHKVLDB-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409202836 570166048 /nfs/dbraw/zinc/16/60/48/570166048.db2.gz TUEWCZBAZKOWFL-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)c1 ZINC000409202771 570166105 /nfs/dbraw/zinc/16/61/05/570166105.db2.gz UQRVQRUVIOGWQT-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)N1C(C)C ZINC000409202857 570166116 /nfs/dbraw/zinc/16/61/16/570166116.db2.gz SRYJONUPLOXNHR-RRJMXWIWSA-N 0 0 473.436 6.117 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409203053 570166130 /nfs/dbraw/zinc/16/61/30/570166130.db2.gz VVGYVRUBEKJEIN-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409202870 570166175 /nfs/dbraw/zinc/16/61/75/570166175.db2.gz SUKKTZJZWHOWMU-ZVHZXABRSA-N 0 0 486.309 5.068 40 30 JKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3cccc(Cl)c3C)cc2Cl)c1 ZINC000409202864 570166184 /nfs/dbraw/zinc/16/61/84/570166184.db2.gz STGCQMXPBJAVPW-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203231 570166238 /nfs/dbraw/zinc/16/62/38/570166238.db2.gz WSCKHXRLPNZWEM-AFUMVMLFSA-N 0 0 469.335 6.394 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409203267 570166304 /nfs/dbraw/zinc/16/63/04/570166304.db2.gz VCBVXRFDSBEKEI-WLGCULAMSA-N 0 0 460.441 5.946 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1 ZINC000409203273 570166319 /nfs/dbraw/zinc/16/63/19/570166319.db2.gz VDKJSJJYQWGHMT-WGOQTCKBSA-N 0 0 473.978 5.964 40 30 JKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409203501 570166340 /nfs/dbraw/zinc/16/63/40/570166340.db2.gz YICCBWWTZWJQLG-MFKUBSTISA-N 0 0 489.207 7.543 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409203406 570166346 /nfs/dbraw/zinc/16/63/46/570166346.db2.gz WYUDMLWPOVWYTC-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1Cl ZINC000409203434 570166362 /nfs/dbraw/zinc/16/63/62/570166362.db2.gz XYHNVCKRZJVEGK-IPBVOBEMSA-N 0 0 496.221 7.685 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409203453 570166385 /nfs/dbraw/zinc/16/63/85/570166385.db2.gz WLPYCZVRQAPRQG-XODNFHPESA-N 0 0 478.854 7.381 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000409203411 570166419 /nfs/dbraw/zinc/16/64/19/570166419.db2.gz XURSMKXZXDVPJY-JFLMPSFJSA-N 0 0 488.809 7.230 40 30 JKEBRN CN1CCc2c(C#N)c(/N=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)sc2C1 ZINC000409203552 570166440 /nfs/dbraw/zinc/16/64/40/570166440.db2.gz XXJSWDPNUANPAR-WCMJOSRZSA-N 0 0 460.606 6.514 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409203671 570166484 /nfs/dbraw/zinc/16/64/84/570166484.db2.gz ZZVSIXTWWNZCMN-OPEKNORGSA-N 0 0 489.207 7.127 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409203898 570166580 /nfs/dbraw/zinc/16/65/80/570166580.db2.gz YZNKGVPLSDSHON-ZMOGYAJESA-N 0 0 455.854 6.406 40 30 JKEBRN O=S(=O)(Oc1ccc(Br)cc1/C=N/c1ccccc1)c1ccc(Cl)cc1 ZINC000409204356 570166729 /nfs/dbraw/zinc/16/67/29/570166729.db2.gz GHKLAHJCNFDAMZ-LPYMAVHISA-N 0 0 450.741 5.621 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Br)cc1Cl ZINC000409208413 570168194 /nfs/dbraw/zinc/16/81/94/570168194.db2.gz BNGYZMRDVYCGLO-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC#N ZINC000409207143 570167653 /nfs/dbraw/zinc/16/76/53/570167653.db2.gz POYWXCNGCHXXGJ-WQRHYEAKSA-N 0 0 475.389 5.156 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409207841 570167826 /nfs/dbraw/zinc/16/78/26/570167826.db2.gz BDKJBEFTQMNQNC-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409207851 570167956 /nfs/dbraw/zinc/16/79/56/570167956.db2.gz BHBXTCSADUOGGI-BUVRLJJBSA-N 0 0 474.376 5.675 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1C ZINC000409207911 570167970 /nfs/dbraw/zinc/16/79/70/570167970.db2.gz CLSTWFPIPZJVLF-KVSWJAHQSA-N 0 0 475.803 7.340 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409208015 570167988 /nfs/dbraw/zinc/16/79/88/570167988.db2.gz AIVKADDAZLHJNJ-UVHMKAGCSA-N 0 0 464.776 7.384 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409208295 570168133 /nfs/dbraw/zinc/16/81/33/570168133.db2.gz AJLPHQWQLXGTNN-ZMOGYAJESA-N 0 0 455.854 6.406 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409208354 570168140 /nfs/dbraw/zinc/16/81/40/570168140.db2.gz FJXYVJUGZUQZLX-BHGWPJFGSA-N 0 0 476.272 6.670 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409208457 570168229 /nfs/dbraw/zinc/16/82/29/570168229.db2.gz BUHCCYQFJZXSIC-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409208738 570168318 /nfs/dbraw/zinc/16/83/18/570168318.db2.gz CXVGPGKFZHUXDQ-XODNFHPESA-N 0 0 478.854 7.517 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409208764 570168344 /nfs/dbraw/zinc/16/83/44/570168344.db2.gz BYTPAVBZDCKJEX-FLSMQFACSA-N 0 0 456.583 5.893 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000409208596 570168383 /nfs/dbraw/zinc/16/83/83/570168383.db2.gz CTWMPOBUCSBRRB-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409208821 570168480 /nfs/dbraw/zinc/16/84/80/570168480.db2.gz DNGKBJBMFDEYSN-LQKURTRISA-N 0 0 450.966 6.378 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409208906 570168489 /nfs/dbraw/zinc/16/84/89/570168489.db2.gz DDTPMRSKLQEXGI-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409208978 570168498 /nfs/dbraw/zinc/16/84/98/570168498.db2.gz BISMALFOVUHVCA-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)c(C)c1 ZINC000409209142 570168603 /nfs/dbraw/zinc/16/86/03/570168603.db2.gz GAVLZEHOTZZNDE-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209043 570168607 /nfs/dbraw/zinc/16/86/07/570168607.db2.gz FIVWGRBNEXDMHJ-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1 ZINC000409209189 570168640 /nfs/dbraw/zinc/16/86/40/570168640.db2.gz GRISKMYORJWCCX-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409209103 570168653 /nfs/dbraw/zinc/16/86/53/570168653.db2.gz FZAYAFIZNGVCNF-BUVRLJJBSA-N 0 0 474.376 5.675 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409209410 570168722 /nfs/dbraw/zinc/16/87/22/570168722.db2.gz FHTHJKIWDWPUKK-XRABMHPCSA-N 0 0 478.431 6.085 40 30 JKEBRN Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])cc1C ZINC000409209417 570168789 /nfs/dbraw/zinc/16/87/89/570168789.db2.gz FJVBVQSFJAKFDJ-YNCTYVJUSA-N 0 0 461.587 7.306 40 30 JKEBRN Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])cc1C ZINC000409209415 570168802 /nfs/dbraw/zinc/16/88/02/570168802.db2.gz FJVBVQSFJAKFDJ-GRJIBALVSA-N 0 0 461.587 7.306 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000409209493 570168861 /nfs/dbraw/zinc/16/88/61/570168861.db2.gz FWZRDMVRBAPLBK-AFUMVMLFSA-N 0 0 489.207 6.940 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409209583 570168890 /nfs/dbraw/zinc/16/88/90/570168890.db2.gz CPKYRBRNAJWKBD-FJEPWZHXSA-N 0 0 477.391 7.532 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c1C ZINC000409209600 570168921 /nfs/dbraw/zinc/16/89/21/570168921.db2.gz HFKSCOQAXNFABQ-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN Clc1ccc(OCc2ccc(Br)cc2)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409209806 570168981 /nfs/dbraw/zinc/16/89/81/570168981.db2.gz HGQQUWISGQPGJD-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(C)c1 ZINC000409209731 570168994 /nfs/dbraw/zinc/16/89/94/570168994.db2.gz HOEDNDMJWJLTCO-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F ZINC000409209689 570168995 /nfs/dbraw/zinc/16/89/95/570168995.db2.gz HFFOWDGVVTUVOJ-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409209749 570169005 /nfs/dbraw/zinc/16/90/05/570169005.db2.gz HRMYRFLUJREJEL-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409209753 570169012 /nfs/dbraw/zinc/16/90/12/570169012.db2.gz HSVLTYXLJWSKHQ-KVSWJAHQSA-N 0 0 491.802 7.040 40 30 JKEBRN Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409209814 570169036 /nfs/dbraw/zinc/16/90/36/570169036.db2.gz HHTDMAMARJIVAW-UZWMFBFFSA-N 0 0 463.964 8.615 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409209701 570169042 /nfs/dbraw/zinc/16/90/42/570169042.db2.gz HWVUUDLLXKLSFG-IPPBACCNSA-N 0 0 485.411 7.085 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409210067 570169133 /nfs/dbraw/zinc/16/91/33/570169133.db2.gz DINCJNPTJAARFI-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210109 570169138 /nfs/dbraw/zinc/16/91/38/570169138.db2.gz IGGGDWUGQSWMLV-VULFUBBASA-N 0 0 483.362 6.702 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1OC(C)C ZINC000409210080 570169152 /nfs/dbraw/zinc/16/91/52/570169152.db2.gz IAKRYIQRJGWWDV-UXTWZOPHSA-N 0 0 469.445 5.724 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409209972 570169163 /nfs/dbraw/zinc/16/91/63/570169163.db2.gz KCUCKGMJXYULNZ-QNKGDIEWSA-N 0 0 486.571 7.709 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)cc1 ZINC000409209899 570169167 /nfs/dbraw/zinc/16/91/67/570169167.db2.gz GURZTWKITPWZEC-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209907 570169172 /nfs/dbraw/zinc/16/91/72/570169172.db2.gz ICTLACYKSRHXMB-YDZHTSKRSA-N 0 0 488.281 5.538 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409210261 570169297 /nfs/dbraw/zinc/16/92/97/570169297.db2.gz JNXCKKFPLDENKI-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409210397 570169401 /nfs/dbraw/zinc/16/94/01/570169401.db2.gz JKSISCJJHCOBGW-OKCVXOCRSA-N 0 0 464.392 8.183 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000409210348 570169415 /nfs/dbraw/zinc/16/94/15/570169415.db2.gz KJHQMGJDPHSUJE-VQFVUHPTSA-N 0 0 493.456 6.770 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409210446 570169431 /nfs/dbraw/zinc/16/94/31/570169431.db2.gz IRHJUUPSNDSRMO-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210550 570169465 /nfs/dbraw/zinc/16/94/65/570169465.db2.gz KVMRFZNPLNLOKQ-LGJNPRDNSA-N 0 0 459.329 6.938 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409210729 570169556 /nfs/dbraw/zinc/16/95/56/570169556.db2.gz MFAUALBJEMLPET-CVKSISIWSA-N 0 0 483.362 5.625 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1C(C)C ZINC000409210582 570169598 /nfs/dbraw/zinc/16/95/98/570169598.db2.gz LOFAYFSYWVODFS-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409210954 570169633 /nfs/dbraw/zinc/16/96/33/570169633.db2.gz LYUQPFOWVGNDTE-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C(=O)N1C(C)C ZINC000409210992 570169643 /nfs/dbraw/zinc/16/96/43/570169643.db2.gz LJFCHOALSAPXRT-ISHFRVPGSA-N 0 0 490.000 5.586 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409210802 570169665 /nfs/dbraw/zinc/16/96/65/570169665.db2.gz LJSCWHYGHZEXGI-BRJLIKDPSA-N 0 0 493.170 6.689 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2Br)cc1 ZINC000409210919 570169710 /nfs/dbraw/zinc/16/97/10/570169710.db2.gz LQLVFCQTTBTVLE-MYVOUCEISA-N 0 0 487.463 6.426 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409211072 570169803 /nfs/dbraw/zinc/16/98/03/570169803.db2.gz MLBQCSANBPWUGN-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409211154 570169811 /nfs/dbraw/zinc/16/98/11/570169811.db2.gz MWYBATNZEXWPGG-FBWGNZTPSA-N 0 0 493.456 6.670 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)o2)ccc1Cl ZINC000409211119 570169818 /nfs/dbraw/zinc/16/98/18/570169818.db2.gz MVERQEZITLSHOQ-XKZIYDEJSA-N 0 0 480.973 6.285 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409211050 570169825 /nfs/dbraw/zinc/16/98/25/570169825.db2.gz MDGWAYMHPINXMA-JFLMPSFJSA-N 0 0 456.355 6.879 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409211482 570170001 /nfs/dbraw/zinc/17/00/01/570170001.db2.gz NKCQLMJDWXNROB-UVHMKAGCSA-N 0 0 464.827 7.209 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N1C(C)C ZINC000409211514 570170009 /nfs/dbraw/zinc/17/00/09/570170009.db2.gz NXKFQOCWOKLWDS-HZHQRTMQSA-N 0 0 491.426 6.256 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(OCCOc4ccccc4)c3)sc2C1 ZINC000409211446 570170012 /nfs/dbraw/zinc/17/00/12/570170012.db2.gz NHLGAFWKAMMLOS-JXBYXGIRSA-N 0 0 458.627 6.979 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409211439 570170034 /nfs/dbraw/zinc/17/00/34/570170034.db2.gz NFBKZVDOQRYVCA-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409211583 570170050 /nfs/dbraw/zinc/17/00/50/570170050.db2.gz OLYIWEDDTZJHAF-MOSHPQCFSA-N 0 0 495.402 5.143 40 30 JKEBRN Fc1ccccc1COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409211740 570170143 /nfs/dbraw/zinc/17/01/43/570170143.db2.gz JZIQTENTOLEQHQ-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409211885 570170276 /nfs/dbraw/zinc/17/02/76/570170276.db2.gz OMPRKYAMTHWRGD-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409211881 570170280 /nfs/dbraw/zinc/17/02/80/570170280.db2.gz OLZNELKHUYBGMZ-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000409212090 570170382 /nfs/dbraw/zinc/17/03/82/570170382.db2.gz OVHDALLIRLJDDP-WSDLNYQXSA-N 0 0 453.707 5.414 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)sc2C1 ZINC000261526652 570170369 /nfs/dbraw/zinc/17/03/69/570170369.db2.gz FWODHQVZLYTOJT-GOSISDBHSA-N 0 0 478.687 6.037 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCC4)sc2C1 ZINC000261526966 570170458 /nfs/dbraw/zinc/17/04/58/570170458.db2.gz SAPVELCQKWHJFC-QGZVFWFLSA-N 0 0 464.660 5.647 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCCCC4)sc2C1 ZINC000261526863 570170471 /nfs/dbraw/zinc/17/04/71/570170471.db2.gz NOECRVGPACFQMU-HNNXBMFYSA-N 0 0 450.633 5.401 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccccc1F ZINC000409212258 570170498 /nfs/dbraw/zinc/17/04/98/570170498.db2.gz OIJMIFCPDKCSQY-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409212213 570170501 /nfs/dbraw/zinc/17/05/01/570170501.db2.gz QBZHFQVOZHRGJT-VULFUBBASA-N 0 0 458.783 7.003 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409212417 570170503 /nfs/dbraw/zinc/17/05/03/570170503.db2.gz PUAZHJXTQYPTDO-JFLMPSFJSA-N 0 0 472.810 7.393 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409212536 570170579 /nfs/dbraw/zinc/17/05/79/570170579.db2.gz MYXSZTFFQFKLPL-CVKSISIWSA-N 0 0 451.364 6.088 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409212514 570170600 /nfs/dbraw/zinc/17/06/00/570170600.db2.gz QGNPUSMULHJVBL-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000409212824 570170658 /nfs/dbraw/zinc/17/06/58/570170658.db2.gz QVQMHINFJSZKJU-OGLMXYFKSA-N 0 0 498.387 7.304 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409212876 570170755 /nfs/dbraw/zinc/17/07/55/570170755.db2.gz RJVZIBMZSKOUQW-WSDLNYQXSA-N 0 0 472.251 5.817 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409212985 570170763 /nfs/dbraw/zinc/17/07/63/570170763.db2.gz RWNYUXPWWKWSNG-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409213180 570170895 /nfs/dbraw/zinc/17/08/95/570170895.db2.gz OYMIRQDCEKMAKK-OGLMXYFKSA-N 0 0 460.371 7.331 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1C(C)C ZINC000409213085 570170901 /nfs/dbraw/zinc/17/09/01/570170901.db2.gz SELPSLCZWGWARG-HSRYIGQESA-N 0 0 489.597 6.416 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409213351 570170990 /nfs/dbraw/zinc/17/09/90/570170990.db2.gz SSXNZPVMQRARBQ-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1/C=N/c1ccccc1 ZINC000409213298 570171001 /nfs/dbraw/zinc/17/10/01/570171001.db2.gz SHIUCRYJUMWWBQ-BRJLIKDPSA-N 0 0 465.225 6.919 40 30 JKEBRN COC(=O)COc1ccc(Br)cc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409213283 570171040 /nfs/dbraw/zinc/17/10/40/570171040.db2.gz UADKPTBKYBFPHR-AQDQEMTMSA-N 0 0 489.435 5.836 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409213513 570171126 /nfs/dbraw/zinc/17/11/26/570171126.db2.gz PLIHQKLLIKDTOU-ZCTHSVRISA-N 0 0 471.984 8.169 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C(=O)N1C(C)C ZINC000409213496 570171143 /nfs/dbraw/zinc/17/11/43/570171143.db2.gz PGIWLTZJBPIXHU-YEWVHKEISA-N 0 0 488.440 6.533 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409213611 570171192 /nfs/dbraw/zinc/17/11/92/570171192.db2.gz VDMMJAXELZLJBD-KVSWJAHQSA-N 0 0 483.222 8.337 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409213509 570171199 /nfs/dbraw/zinc/17/11/99/570171199.db2.gz PKULLGFRZNTNNV-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 ZINC000409213813 570171265 /nfs/dbraw/zinc/17/12/65/570171265.db2.gz UQMCPUIORJGXTK-BUVRLJJBSA-N 0 0 474.376 5.538 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1 ZINC000409213848 570171269 /nfs/dbraw/zinc/17/12/69/570171269.db2.gz VVRMCOZTZLZDNN-LGJNPRDNSA-N 0 0 491.198 7.243 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409213872 570171275 /nfs/dbraw/zinc/17/12/75/570171275.db2.gz VZLMNUNJZUVJMX-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1C(C)C ZINC000409213693 570171292 /nfs/dbraw/zinc/17/12/92/570171292.db2.gz UIVDHTCNKABRFB-DMAPRCRCSA-N 0 0 479.045 7.161 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409214043 570171406 /nfs/dbraw/zinc/17/14/06/570171406.db2.gz XDZXWVQVLLUZNE-WSDLNYQXSA-N 0 0 456.252 6.117 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409214221 570171521 /nfs/dbraw/zinc/17/15/21/570171521.db2.gz WXNWUTMKNIHKLT-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cn(CCOc4ccccc4)c4ccccc34)sc2C1 ZINC000409214234 570171534 /nfs/dbraw/zinc/17/15/34/570171534.db2.gz WSQBYJLODRVIOP-ANRZLXOVSA-N 0 0 481.665 7.555 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409214144 570171540 /nfs/dbraw/zinc/17/15/40/570171540.db2.gz RJOQJSWBFWFSNB-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1 ZINC000409214264 570171560 /nfs/dbraw/zinc/17/15/60/570171560.db2.gz XCRUTBIDICDLEW-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409214170 570171563 /nfs/dbraw/zinc/17/15/63/570171563.db2.gz RMJBRECLWWPHDI-WPWMEQJKSA-N 0 0 485.452 6.847 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2cn(CCOc3ccccc3)c3ccccc23)sc2c1CCCC2 ZINC000409214289 570171621 /nfs/dbraw/zinc/17/16/21/570171621.db2.gz WMWBPMIPSGJOSS-RDRPBHBLSA-N 0 0 472.610 6.588 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409214387 570171628 /nfs/dbraw/zinc/17/16/28/570171628.db2.gz XSGPLDWCRVEXJF-FDAWAROLSA-N 0 0 492.402 8.514 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1F ZINC000409214482 570171631 /nfs/dbraw/zinc/17/16/31/570171631.db2.gz XNIJTXXBLQXZSY-ZMOGYAJESA-N 0 0 461.274 5.769 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc2ccccc21 ZINC000409214394 570171669 /nfs/dbraw/zinc/17/16/69/570171669.db2.gz UWBRDOMRNJJKLJ-STKMKYKTSA-N 0 0 473.572 8.360 40 30 JKEBRN COc1ccc(/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409214342 570171682 /nfs/dbraw/zinc/17/16/82/570171682.db2.gz XAYPZTDQEBEBQX-DHRITJCHSA-N 0 0 491.300 5.777 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)cc1 ZINC000409214611 570171729 /nfs/dbraw/zinc/17/17/29/570171729.db2.gz WKSXHEDJMCZGGR-KWMKVIAQSA-N 0 0 485.653 6.847 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)cc1 ZINC000409214613 570171772 /nfs/dbraw/zinc/17/17/72/570171772.db2.gz WKSXHEDJMCZGGR-ZDSCIVGOSA-N 0 0 485.653 6.847 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409214526 570171811 /nfs/dbraw/zinc/17/18/11/570171811.db2.gz VQEAVHFQDQVETL-VULFUBBASA-N 0 0 485.365 6.555 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214590 570171812 /nfs/dbraw/zinc/17/18/12/570171812.db2.gz YJITVJJCDQCWFD-HTQRFZLASA-N 0 0 469.563 5.272 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C(C)C ZINC000409214949 570171838 /nfs/dbraw/zinc/17/18/38/570171838.db2.gz YUKIEUIBLSEGAT-XGOSSBFKSA-N 0 0 486.468 7.086 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Br)c1 ZINC000409214786 570171857 /nfs/dbraw/zinc/17/18/57/570171857.db2.gz YTWCXOROSSPWCT-VULFUBBASA-N 0 0 451.364 6.142 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409214830 570171881 /nfs/dbraw/zinc/17/18/81/570171881.db2.gz UULCPPMWUALCCV-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409214941 570171902 /nfs/dbraw/zinc/17/19/02/570171902.db2.gz YXKARQFFLJHUKB-IPBVOBEMSA-N 0 0 499.272 7.780 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000409215097 570171948 /nfs/dbraw/zinc/17/19/48/570171948.db2.gz ZRPHZWNMNSZUEI-HFYOLELGSA-N 0 0 453.402 5.112 40 30 JKEBRN C#CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409215071 570171951 /nfs/dbraw/zinc/17/19/51/570171951.db2.gz ZRSBYKUVNSQBCY-WSDLNYQXSA-N 0 0 453.707 5.414 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409215051 570171954 /nfs/dbraw/zinc/17/19/54/570171954.db2.gz ZJBWDDCZBLHVKW-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000409215049 570171964 /nfs/dbraw/zinc/17/19/64/570171964.db2.gz ZXIJCUGPCPEYHT-WYMPLXKRSA-N 0 0 499.213 6.583 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000409215150 570171975 /nfs/dbraw/zinc/17/19/75/570171975.db2.gz ZZGGRPGPFXBDJO-ZMOGYAJESA-N 0 0 475.180 6.550 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1O ZINC000409215369 570172106 /nfs/dbraw/zinc/17/21/06/570172106.db2.gz ZTAXDUFWDBFGDT-QTYGBZKPSA-N 0 0 461.425 6.388 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409215307 570172112 /nfs/dbraw/zinc/17/21/12/570172112.db2.gz XDYMRWKQUHSVGK-VULFUBBASA-N 0 0 461.861 7.161 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409215632 570172230 /nfs/dbraw/zinc/17/22/30/570172230.db2.gz CQGQYSDDGFXCIF-JFLMPSFJSA-N 0 0 472.810 7.393 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409215702 570172349 /nfs/dbraw/zinc/17/23/49/570172349.db2.gz ABCGOWZVFNQGQG-MZJWZYIUSA-N 0 0 460.408 6.564 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409215955 570172438 /nfs/dbraw/zinc/17/24/38/570172438.db2.gz CLTGQZKPIXMWNZ-WKULSOCRSA-N 0 0 494.816 7.902 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409215980 570172450 /nfs/dbraw/zinc/17/24/50/570172450.db2.gz HAJTUCUGEHRANR-ZMOGYAJESA-N 0 0 494.794 5.938 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409215941 570172474 /nfs/dbraw/zinc/17/24/74/570172474.db2.gz CGTCULRKIHSFCJ-ZMOGYAJESA-N 0 0 455.854 6.406 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)C3=C2CC[C@@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000263610057 570172669 /nfs/dbraw/zinc/17/26/69/570172669.db2.gz VTJXNFAYWSDJMD-AXUQWEFQSA-N 0 0 452.679 7.225 40 30 JKEBRN C=C(C)[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C)CC ZINC000263612836 570172683 /nfs/dbraw/zinc/17/26/83/570172683.db2.gz YOXXESRXSQRNHU-NPZGYRCYSA-N 0 0 452.723 8.292 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)o2)ccc1Cl ZINC000409216574 570172744 /nfs/dbraw/zinc/17/27/44/570172744.db2.gz JLHZNSXSHAINJG-KKMKTNMSSA-N 0 0 481.961 5.309 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000409216864 570172893 /nfs/dbraw/zinc/17/28/93/570172893.db2.gz PCKKJWNCWYPTOZ-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN CCOc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409216745 570172895 /nfs/dbraw/zinc/17/28/95/570172895.db2.gz LDINOGYRRFUCMK-OKCVXOCRSA-N 0 0 480.442 7.708 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1Cl ZINC000409217049 570173038 /nfs/dbraw/zinc/17/30/38/570173038.db2.gz RALJWOWSJMEJOU-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000409217172 570173100 /nfs/dbraw/zinc/17/31/00/570173100.db2.gz SWKNDZJTMFKMCE-KKUKGBFASA-N 0 0 474.626 6.517 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(Br)c(Br)c1O ZINC000409217236 570173117 /nfs/dbraw/zinc/17/31/17/570173117.db2.gz OGHRKSZPTMQINJ-BHHPZPGNSA-N 0 0 492.233 5.015 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1C ZINC000409217857 570173319 /nfs/dbraw/zinc/17/33/19/570173319.db2.gz XQWBVGRIQCQRFP-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409217841 570173335 /nfs/dbraw/zinc/17/33/35/570173335.db2.gz XHTHQXVKOBHNQP-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O ZINC000409217762 570173375 /nfs/dbraw/zinc/17/33/75/570173375.db2.gz BGILNVZJHJKJLN-UHFFFAOYSA-N 0 0 490.987 5.401 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1Cl ZINC000409217906 570173379 /nfs/dbraw/zinc/17/33/79/570173379.db2.gz RNNJWAJCNTVVRS-NDZAJKAJSA-N 0 0 457.957 7.861 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 ZINC000409218196 570173443 /nfs/dbraw/zinc/17/34/43/570173443.db2.gz ZDHACVTWERFYRC-JFLMPSFJSA-N 0 0 472.354 6.715 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409218190 570173467 /nfs/dbraw/zinc/17/34/67/570173467.db2.gz ZCHNGJHYZVJZCH-FYJGNVAPSA-N 0 0 492.513 5.081 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409218320 570173563 /nfs/dbraw/zinc/17/35/63/570173563.db2.gz TZKQPQCSKLATIT-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409218354 570173589 /nfs/dbraw/zinc/17/35/89/570173589.db2.gz UMTNCOWHKVGTSZ-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 ZINC000409219012 570173834 /nfs/dbraw/zinc/17/38/34/570173834.db2.gz ZNXMFWUVNZBGRO-MFKUBSTISA-N 0 0 453.336 5.616 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409219590 570173948 /nfs/dbraw/zinc/17/39/48/570173948.db2.gz RVBGKDMEQPBUGN-JFLMPSFJSA-N 0 0 481.390 6.097 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409219690 570173987 /nfs/dbraw/zinc/17/39/87/570173987.db2.gz TXNGLMKOEBVOJV-JFLMPSFJSA-N 0 0 472.810 7.393 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000409220827 570174289 /nfs/dbraw/zinc/17/42/89/570174289.db2.gz GLBWGOJXSFRPCE-YDZHTSKRSA-N 0 0 450.007 6.564 40 30 JKEBRN COc1cc(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1O ZINC000409221280 570174460 /nfs/dbraw/zinc/17/44/60/570174460.db2.gz NWKLUKJXKNUDQI-VIZOYTHASA-N 0 0 453.745 5.017 40 30 JKEBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409221639 570174763 /nfs/dbraw/zinc/17/47/63/570174763.db2.gz UDABIQZDSRZRNN-YDZHTSKRSA-N 0 0 470.598 5.307 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000409221637 570174775 /nfs/dbraw/zinc/17/47/75/570174775.db2.gz UCDAFJJHUBGNKW-ZVHZXABRSA-N 0 0 479.001 6.436 40 30 JKEBRN C=CCc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000409222262 570174913 /nfs/dbraw/zinc/17/49/13/570174913.db2.gz BIOGYJNLKHGRSW-PXLXIMEGSA-N 0 0 451.544 5.132 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)S1 ZINC000409222621 570174946 /nfs/dbraw/zinc/17/49/46/570174946.db2.gz CMVTXGOJZKDKJN-ZVHZXABRSA-N 0 0 475.976 6.682 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409222566 570174976 /nfs/dbraw/zinc/17/49/76/570174976.db2.gz BYZQPLFEWDENKZ-PCLIKHOPSA-N 0 0 486.543 5.625 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409222910 570175158 /nfs/dbraw/zinc/17/51/58/570175158.db2.gz YEIQZYXNXPIFFM-WPWMEQJKSA-N 0 0 496.607 6.103 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409224409 570175549 /nfs/dbraw/zinc/17/55/49/570175549.db2.gz HMHVWEQEJZEBID-KWZOLKRCSA-N 0 0 450.585 6.372 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409227110 570176231 /nfs/dbraw/zinc/17/62/31/570176231.db2.gz OWYORRDOHJTVFP-DEDYPNTBSA-N 0 0 485.378 5.068 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)N(C[C@H]4CCCO4)C3=O)cc2)cc1 ZINC000409227567 570176358 /nfs/dbraw/zinc/17/63/58/570176358.db2.gz PYTNOFYGTCUKBY-XOJCRSORSA-N 0 0 486.662 6.929 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409227813 570176405 /nfs/dbraw/zinc/17/64/05/570176405.db2.gz RHGYDNRNYQPLLL-PCLIKHOPSA-N 0 0 468.553 5.404 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409227858 570176451 /nfs/dbraw/zinc/17/64/51/570176451.db2.gz SCPQUBYCTDACJW-HLMYEUOZSA-N 0 0 473.548 6.592 40 30 JKEBRN CCOc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000409228238 570176554 /nfs/dbraw/zinc/17/65/54/570176554.db2.gz WGOGLWWTXQBPEG-VXLYETTFSA-N 0 0 451.375 5.991 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409228694 570176741 /nfs/dbraw/zinc/17/67/41/570176741.db2.gz CQOVECCYKILNNY-HYARGMPZSA-N 0 0 476.941 5.180 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccccc2Sc2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409228987 570176921 /nfs/dbraw/zinc/17/69/21/570176921.db2.gz ICXJANLSUPWJDI-YUBLGUFESA-N 0 0 481.042 7.124 40 30 JKEBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O ZINC000409228986 570176999 /nfs/dbraw/zinc/17/69/99/570176999.db2.gz IBXVPEXNBGFDNG-YOWFULMBSA-N 0 0 499.636 5.379 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409229232 570177107 /nfs/dbraw/zinc/17/71/07/570177107.db2.gz LWIUBGQJJNERHK-XNMVVWAFSA-N 0 0 477.561 5.644 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409230290 570177585 /nfs/dbraw/zinc/17/75/85/570177585.db2.gz BTLOVBOLNQUZEN-JMCHZZBBSA-N 0 0 474.582 5.907 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(Br)cc1O ZINC000409230785 570177699 /nfs/dbraw/zinc/17/76/99/570177699.db2.gz GNMKMBOVXHUTPC-DZHGSHHNSA-N 0 0 465.344 5.316 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409231790 570178089 /nfs/dbraw/zinc/17/80/89/570178089.db2.gz KRLWCUIBZQISDG-JBKGZACMSA-N 0 0 473.381 6.886 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Br)c1O ZINC000409232075 570178136 /nfs/dbraw/zinc/17/81/36/570178136.db2.gz GVRNYKZHCRBDGX-WNEPPRNQSA-N 0 0 477.380 5.186 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000409232008 570178143 /nfs/dbraw/zinc/17/81/43/570178143.db2.gz 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CCN1C(=O)/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409233103 570178519 /nfs/dbraw/zinc/17/85/19/570178519.db2.gz KFSCYBHXSHESLN-IIEVRXRISA-N 0 0 464.547 6.070 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Br)c1OC ZINC000409233064 570178560 /nfs/dbraw/zinc/17/85/60/570178560.db2.gz JRHFUTZAIUWYNT-BBWXTVSKSA-N 0 0 491.407 5.489 40 30 JKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(-c4ccc(C)cc4Br)o3)cc2)c1 ZINC000409233452 570178673 /nfs/dbraw/zinc/17/86/73/570178673.db2.gz KNPCOJIMGFVQBY-JVWAILMASA-N 0 0 462.343 7.569 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000409233571 570178773 /nfs/dbraw/zinc/17/87/73/570178773.db2.gz SYGAGRDKNBIAAO-TUBCOXNZSA-N 0 0 481.621 6.631 40 30 JKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Oc5cccc(Cl)c5)cc4)ccc32)c1 ZINC000409233704 570178794 /nfs/dbraw/zinc/17/87/94/570178794.db2.gz WEIUQJLNOVKCSE-MNBJERMJSA-N 0 0 454.932 8.025 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409233588 570178842 /nfs/dbraw/zinc/17/88/42/570178842.db2.gz GNPUPMBFJGLBTM-VCICBFQVSA-N 0 0 466.006 6.380 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409233890 570178906 /nfs/dbraw/zinc/17/89/06/570178906.db2.gz IIRKLNVXLUULJD-SRWYGHAPSA-N 0 0 491.407 5.489 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409234293 570179071 /nfs/dbraw/zinc/17/90/71/570179071.db2.gz KKGBUBUKAAYBJW-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1-c1ccccn1 ZINC000409234630 570179099 /nfs/dbraw/zinc/17/90/99/570179099.db2.gz OEZNOBSQRIMNMY-PDGQHHTCSA-N 0 0 453.365 5.143 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409234708 570179102 /nfs/dbraw/zinc/17/91/02/570179102.db2.gz XMFIELBBSLSPTG-LFVJCYFKSA-N 0 0 488.971 6.144 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409235187 570179387 /nfs/dbraw/zinc/17/93/87/570179387.db2.gz 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570188388 /nfs/dbraw/zinc/18/83/88/570188388.db2.gz NRCJOIHAQYZDSB-PZFZXBCHSA-N 0 0 479.399 6.580 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408532050 570188430 /nfs/dbraw/zinc/18/84/30/570188430.db2.gz SDFNFXKICSLJMP-NHDPSOOVSA-N 0 0 489.811 7.117 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2cccc(OCC(=O)Nc3ccccc3)c2)C2=C1CCCC2=O ZINC000409266041 570188444 /nfs/dbraw/zinc/18/84/44/570188444.db2.gz VWJXEQQSVXCOTD-UHFFFAOYSA-N 0 0 470.569 5.137 40 30 JKEBRN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)c2)c(C)c1 ZINC000409266532 570188483 /nfs/dbraw/zinc/18/84/83/570188483.db2.gz ZPGMMPRHURLGIN-UHFFFAOYSA-N 0 0 484.596 5.364 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408532357 570188476 /nfs/dbraw/zinc/18/84/76/570188476.db2.gz ULFYCLCHVZRGRN-BKUYFWCQSA-N 0 0 495.944 5.727 40 30 JKEBRN C=CCOc1c(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC ZINC000408532349 570188482 /nfs/dbraw/zinc/18/84/82/570188482.db2.gz OCPKNBMANVPULU-LICLKQGHSA-N 0 0 452.384 5.973 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408532229 570188553 /nfs/dbraw/zinc/18/85/53/570188553.db2.gz SVTORANXQCRGPZ-NDENLUEZSA-N 0 0 473.356 6.603 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408532739 570188670 /nfs/dbraw/zinc/18/86/70/570188670.db2.gz VONQRKKMORHFFY-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408533251 570188924 /nfs/dbraw/zinc/18/89/24/570188924.db2.gz QETIQGMIICBVNU-SCLYKGHXSA-N 0 0 489.811 7.464 40 30 JKEBRN Cc1ccnc(Sc2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)n1 ZINC000409269785 570188990 /nfs/dbraw/zinc/18/89/90/570188990.db2.gz DSTJPMVLWXAOAE-WBXJHTTOSA-N 0 0 476.627 6.466 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408533436 570189088 /nfs/dbraw/zinc/18/90/88/570189088.db2.gz YPIWUILIPBYDHH-BKUYFWCQSA-N 0 0 485.392 6.473 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)S2)cc1 ZINC000408534265 570189306 /nfs/dbraw/zinc/18/93/06/570189306.db2.gz UQFOSDPKLZZMRE-MTJSOVHGSA-N 0 0 487.383 6.912 40 30 JKEBRN CC1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)CC1 ZINC000409272437 570189397 /nfs/dbraw/zinc/18/93/97/570189397.db2.gz GSYWBSPIYZBFBJ-DVQSINOTSA-N 0 0 464.635 6.666 40 30 JKEBRN Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000409273915 570189556 /nfs/dbraw/zinc/18/95/56/570189556.db2.gz ABXMALWLTIPNBD-UHFFFAOYSA-N 0 0 469.770 5.411 40 30 JKEBRN C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408534711 570189586 /nfs/dbraw/zinc/18/95/86/570189586.db2.gz WEYBZELHDHPJAE-WAMJVRJTSA-N 0 0 472.997 6.777 40 30 JKEBRN COC(=O)[C@@H](C)n1c(C)c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc21 ZINC000409275026 570189677 /nfs/dbraw/zinc/18/96/77/570189677.db2.gz HHFXILGBDRAQRM-LJQANCHMSA-N 0 0 470.573 5.324 40 30 JKEBRN COC(=O)[C@H](C)n1c(C)c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc21 ZINC000409275025 570189700 /nfs/dbraw/zinc/18/97/00/570189700.db2.gz HHFXILGBDRAQRM-IBGZPJMESA-N 0 0 470.573 5.324 40 30 JKEBRN CC(C)(C)COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409274425 570189701 /nfs/dbraw/zinc/18/97/01/570189701.db2.gz CYMDWOCAJHQCMZ-UHFFFAOYSA-N 0 0 451.526 6.117 40 30 JKEBRN CC(C)Oc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409274701 570189707 /nfs/dbraw/zinc/18/97/07/570189707.db2.gz FVEORKPLIYRGOO-UHFFFAOYSA-N 0 0 468.941 5.675 40 30 JKEBRN C#CCn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c2ccccc21 ZINC000409274486 570189711 /nfs/dbraw/zinc/18/97/11/570189711.db2.gz DNVWARPPXGEMSA-UHFFFAOYSA-N 0 0 472.504 5.288 40 30 JKEBRN CC(C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1Br ZINC000409275627 570189756 /nfs/dbraw/zinc/18/97/56/570189756.db2.gz KUISMJZBMSSQMQ-UHFFFAOYSA-N 0 0 468.395 5.876 40 30 JKEBRN CC[C@@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1OC ZINC000409275985 570189785 /nfs/dbraw/zinc/18/97/85/570189785.db2.gz NPKGTRIEZLKEGU-GFCCVEGCSA-N 0 0 478.774 5.189 40 30 JKEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)c1O ZINC000409275932 570189826 /nfs/dbraw/zinc/18/98/26/570189826.db2.gz NBJZGYIBWCYMRW-UHFFFAOYSA-N 0 0 490.313 5.169 40 30 JKEBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000409275741 570189833 /nfs/dbraw/zinc/18/98/33/570189833.db2.gz WJPWWRLMOXNHLE-UVHMKAGCSA-N 0 0 498.648 6.661 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1OC(C)C ZINC000409275445 570189834 /nfs/dbraw/zinc/18/98/34/570189834.db2.gz JKJAODWEPMNAGW-UHFFFAOYSA-N 0 0 473.617 6.241 40 30 JKEBRN Cc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Br)ccc3o2)s1 ZINC000409276373 570189885 /nfs/dbraw/zinc/18/98/85/570189885.db2.gz QGQCOSDNXKPWPW-UHFFFAOYSA-N 0 0 464.344 5.824 40 30 JKEBRN N#CCOc1c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(Cl)cc1[N+](=O)[O-] ZINC000409276319 570189891 /nfs/dbraw/zinc/18/98/91/570189891.db2.gz 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IJLWBXSMVWOTNT-INIZCTEOSA-N 0 0 485.426 5.237 40 30 JKEBRN C#CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1Cl ZINC000409322245 570201317 /nfs/dbraw/zinc/20/13/17/570201317.db2.gz IPVJSWXPGCJZRZ-AWEZNQCLSA-N 0 0 472.770 5.220 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000409321887 570201327 /nfs/dbraw/zinc/20/13/27/570201327.db2.gz HUYCQFZQCCECJI-UHFFFAOYSA-N 0 0 498.808 6.606 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409322314 570201444 /nfs/dbraw/zinc/20/14/44/570201444.db2.gz JVABZSCESOADFB-UHFFFAOYSA-N 0 0 479.205 6.396 40 30 JKEBRN COc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1OC ZINC000409322826 570201448 /nfs/dbraw/zinc/20/14/48/570201448.db2.gz LFMRMRZNNJSOMG-UHFFFAOYSA-N 0 0 470.367 5.106 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000409322318 570201477 /nfs/dbraw/zinc/20/14/77/570201477.db2.gz JVQLBWUXABBAHA-UHFFFAOYSA-N 0 0 497.824 6.055 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1F ZINC000409323120 570201553 /nfs/dbraw/zinc/20/15/53/570201553.db2.gz NIYODRDNBZOQFC-OAHLLOKOSA-N 0 0 467.342 5.485 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1Cl ZINC000409324129 570201671 /nfs/dbraw/zinc/20/16/71/570201671.db2.gz REFNSZQXRSGUHZ-LLVKDONJSA-N 0 0 453.167 5.862 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000409323863 570201706 /nfs/dbraw/zinc/20/17/06/570201706.db2.gz PTEMTDIDJREZOB-GFCCVEGCSA-N 0 0 452.274 5.574 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(C)(C)C)cc1 ZINC000409323697 570201707 /nfs/dbraw/zinc/20/17/07/570201707.db2.gz PEUDYSMQHRMQRH-UHFFFAOYSA-N 0 0 470.411 5.809 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409324178 570201713 /nfs/dbraw/zinc/20/17/13/570201713.db2.gz SLWKPIKYOGXOMC-OAHLLOKOSA-N 0 0 495.396 6.101 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C(C)C)c(OCC)cc1C ZINC000409324548 570201785 /nfs/dbraw/zinc/20/17/85/570201785.db2.gz SYQUAGLZQKNIOD-UHFFFAOYSA-N 0 0 484.438 6.214 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cccc(C)c2C)c1C ZINC000409324458 570201786 /nfs/dbraw/zinc/20/17/86/570201786.db2.gz SQVCSEVXWNVCPY-UHFFFAOYSA-N 0 0 491.433 6.018 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(C)(C)C)c(Cl)c1 ZINC000409324241 570201787 /nfs/dbraw/zinc/20/17/87/570201787.db2.gz RPSYMDHNZCHOJV-UHFFFAOYSA-N 0 0 490.829 6.072 40 30 JKEBRN CCOc1cc(C)c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1C(C)C ZINC000409324692 570201826 /nfs/dbraw/zinc/20/18/26/570201826.db2.gz UWLDTQAFXCPDCI-MRXNPFEDSA-N 0 0 484.438 6.385 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(OCC)cc2)o1 ZINC000409324954 570201938 /nfs/dbraw/zinc/20/19/38/570201938.db2.gz VNZUBTGNFUHUNA-UHFFFAOYSA-N 0 0 494.389 6.043 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(Cl)c1 ZINC000409325897 570202021 /nfs/dbraw/zinc/20/20/21/570202021.db2.gz CLCHRJLAPWEPEX-UHFFFAOYSA-N 0 0 476.802 5.824 40 30 JKEBRN CC[C@@H](C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409325903 570202033 /nfs/dbraw/zinc/20/20/33/570202033.db2.gz COMQFILREUHNST-QGZVFWFLSA-N 0 0 482.422 6.266 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccn2)c1C ZINC000409325944 570202170 /nfs/dbraw/zinc/20/21/70/570202170.db2.gz DLXZZCCNQJUKAM-OAHLLOKOSA-N 0 0 478.394 5.357 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc(OCC)c1O ZINC000409326401 570202259 /nfs/dbraw/zinc/20/22/59/570202259.db2.gz KBIUWIFZDAITAC-OAHLLOKOSA-N 0 0 484.394 5.388 40 30 JKEBRN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409326625 570202287 /nfs/dbraw/zinc/20/22/87/570202287.db2.gz MNTYYZZPBXIGQI-FBHDLOMBSA-N 0 0 492.221 7.664 40 30 JKEBRN C#CCOc1ccc2ccccc2c1C=Nn1c(CCCC)nc2ccc(Br)cc2c1=O ZINC000409327631 570202593 /nfs/dbraw/zinc/20/25/93/570202593.db2.gz VILMOWRDFWIREW-UHFFFAOYSA-N 0 0 488.385 5.549 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409328742 570203095 /nfs/dbraw/zinc/20/30/95/570203095.db2.gz AIZGEEQWNFSZDM-CPNJWEJPSA-N 0 0 461.992 5.718 40 30 JKEBRN Cc1c(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409329126 570203283 /nfs/dbraw/zinc/20/32/83/570203283.db2.gz CVPHYXWQTXRGCN-CVKSISIWSA-N 0 0 479.630 6.584 40 30 JKEBRN C#CCOc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)cc1OC ZINC000409329405 570203451 /nfs/dbraw/zinc/20/34/51/570203451.db2.gz FRLKKHBXBLQCBY-BOPFTXTBSA-N 0 0 466.422 5.004 40 30 JKEBRN Brc1ccc(COc2ccc(C=NNc3ccccc3)cc2Br)cc1 ZINC000408565794 570203494 /nfs/dbraw/zinc/20/34/94/570203494.db2.gz ANVSCEUOJKKRRE-YDZHTSKRSA-N 0 0 460.169 6.237 40 30 JKEBRN CCOc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408566377 570203765 /nfs/dbraw/zinc/20/37/65/570203765.db2.gz GAHGLHJKMSKYAN-AFUMVMLFSA-N 0 0 459.771 6.526 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000409331115 570204211 /nfs/dbraw/zinc/20/42/11/570204211.db2.gz COWYTZYYOAGHPO-UHFFFAOYSA-N 0 0 490.401 5.963 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3C#N)cc2)n1-c1ccc(C)cc1 ZINC000408568707 570204264 /nfs/dbraw/zinc/20/42/64/570204264.db2.gz IKDCQCCBDURKPM-RUZDIDTESA-N 0 0 485.569 5.445 40 30 JKEBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3C#N)cc2)n1-c1ccc(C)cc1 ZINC000408568709 570204269 /nfs/dbraw/zinc/20/42/69/570204269.db2.gz IKDCQCCBDURKPM-VWLOTQADSA-N 0 0 485.569 5.445 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408569971 570204437 /nfs/dbraw/zinc/20/44/37/570204437.db2.gz KKVLYUHKRHNQIY-FQEVSTJZSA-N 0 0 474.970 5.303 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1cccc(C)c1 ZINC000408570264 570204587 /nfs/dbraw/zinc/20/45/87/570204587.db2.gz KPRSMZSRAUHDJC-RUZDIDTESA-N 0 0 485.569 5.445 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S ZINC000408571843 570204846 /nfs/dbraw/zinc/20/48/46/570204846.db2.gz CTQIDTHPQPCNHI-WQRHYEAKSA-N 0 0 478.517 5.110 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000408572222 570204902 /nfs/dbraw/zinc/20/49/02/570204902.db2.gz FSDYZAAKVNGSOE-ZDLGFXPLSA-N 0 0 479.410 5.398 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408572748 570204990 /nfs/dbraw/zinc/20/49/90/570204990.db2.gz RYGHAKFUSNSIKJ-NRFANRHFSA-N 0 0 488.997 5.529 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)SC1=S ZINC000408573165 570205128 /nfs/dbraw/zinc/20/51/28/570205128.db2.gz IQEFTDIXGZCIQG-UNOMPAQXSA-N 0 0 458.992 5.053 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408573422 570205165 /nfs/dbraw/zinc/20/51/65/570205165.db2.gz SSWNYIVPVDHQIO-FQEVSTJZSA-N 0 0 474.970 5.221 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408573962 570205284 /nfs/dbraw/zinc/20/52/84/570205284.db2.gz UHHGWQPVYVJDMN-HXUWFJFHSA-N 0 0 489.395 5.322 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S ZINC000408574214 570205336 /nfs/dbraw/zinc/20/53/36/570205336.db2.gz LAAGJLCVUVIYEA-BOPFTXTBSA-N 0 0 479.410 5.398 40 30 JKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl ZINC000408575011 570205595 /nfs/dbraw/zinc/20/55/95/570205595.db2.gz VLDUMZMEZZGZQA-IBGZPJMESA-N 0 0 465.362 5.557 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3C#N)cc2)n1-c1cccc(C)c1 ZINC000408575015 570205600 /nfs/dbraw/zinc/20/56/00/570205600.db2.gz VMKYMPLYDDVPRE-RUZDIDTESA-N 0 0 485.569 5.445 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000408575358 570205633 /nfs/dbraw/zinc/20/56/33/570205633.db2.gz NZLNFCPSKDFKFK-ZDLGFXPLSA-N 0 0 479.410 5.398 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408575261 570205637 /nfs/dbraw/zinc/20/56/37/570205637.db2.gz IGQCGKSDOHNHHT-UHFFFAOYSA-N 0 0 475.928 5.527 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408575227 570205643 /nfs/dbraw/zinc/20/56/43/570205643.db2.gz HPIDIDKLLIVLRZ-UHFFFAOYSA-N 0 0 482.319 5.482 40 30 JKEBRN O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000408576198 570205854 /nfs/dbraw/zinc/20/58/54/570205854.db2.gz TWCCNYTXRFSBAG-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408576677 570205978 /nfs/dbraw/zinc/20/59/78/570205978.db2.gz YOLCXNVIFGFWAG-UHFFFAOYSA-N 0 0 461.901 5.219 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000408578400 570206289 /nfs/dbraw/zinc/20/62/89/570206289.db2.gz YAPPJYOQKBCRBY-JCMHNJIXSA-N 0 0 482.627 5.052 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4)o3)sc2C1 ZINC000408580839 570206627 /nfs/dbraw/zinc/20/66/27/570206627.db2.gz FAWQDYPDJROMJT-MRXNPFEDSA-N 0 0 496.658 5.854 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)sc2C1 ZINC000408580588 570206650 /nfs/dbraw/zinc/20/66/50/570206650.db2.gz CTNJKOZDKHGXDE-MRXNPFEDSA-N 0 0 465.648 5.677 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccco4)n3)sc2C1 ZINC000408581171 570206707 /nfs/dbraw/zinc/20/67/07/570206707.db2.gz HBAPNNCSZPPCPS-CYBMUJFWSA-N 0 0 455.609 5.270 40 30 JKEBRN N#Cc1c(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408582440 570206932 /nfs/dbraw/zinc/20/69/32/570206932.db2.gz ODDJPTHBNGMNAV-UHFFFAOYSA-N 0 0 478.537 5.396 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccccn4)n3)sc2C1 ZINC000408582724 570207077 /nfs/dbraw/zinc/20/70/77/570207077.db2.gz POLPLNQYOYKQJX-CQSZACIVSA-N 0 0 466.636 5.072 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2C)cc1 ZINC000408586939 570208294 /nfs/dbraw/zinc/20/82/94/570208294.db2.gz DDIWAAAVPVVXOD-QXUDOOCXSA-N 0 0 499.570 7.430 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408587862 570208483 /nfs/dbraw/zinc/20/84/83/570208483.db2.gz AJJQJLSYZXBXMF-LGJNPRDNSA-N 0 0 496.317 5.367 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000408588279 570208488 /nfs/dbraw/zinc/20/84/88/570208488.db2.gz IUDQHQSSEXBSER-LKGWIEHISA-N 0 0 485.587 5.629 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 ZINC000408588515 570208586 /nfs/dbraw/zinc/20/85/86/570208586.db2.gz BRMWORDKFNLVLM-RPPGKUMJSA-N 0 0 454.313 6.455 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000408588408 570208587 /nfs/dbraw/zinc/20/85/87/570208587.db2.gz WBHMSYHLMJPKTB-UHFFFAOYSA-N 0 0 451.348 6.283 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000408589158 570208674 /nfs/dbraw/zinc/20/86/74/570208674.db2.gz KUFRBOHZNNBMQH-NDCOSSLMSA-N 0 0 485.587 5.629 40 30 JKEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(I)cc1 ZINC000408588995 570208717 /nfs/dbraw/zinc/20/87/17/570208717.db2.gz COEUQKKUMMOKMA-CFRMEGHHSA-N 0 0 455.299 5.121 40 30 JKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408589606 570208849 /nfs/dbraw/zinc/20/88/49/570208849.db2.gz FBIBDXPRAUODHV-MUFRIFMGSA-N 0 0 491.385 6.188 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 ZINC000408589648 570208879 /nfs/dbraw/zinc/20/88/79/570208879.db2.gz FGOOCRQTFSYNCK-WYMPLXKRSA-N 0 0 459.271 5.626 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c1 ZINC000408590187 570208939 /nfs/dbraw/zinc/20/89/39/570208939.db2.gz GQXIMHJPFNSKOT-YDZHTSKRSA-N 0 0 488.281 5.329 40 30 JKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408590689 570209087 /nfs/dbraw/zinc/20/90/87/570209087.db2.gz HNFWAPWWNWSOIZ-VULFUBBASA-N 0 0 478.346 6.219 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1C#N ZINC000408590811 570209121 /nfs/dbraw/zinc/20/91/21/570209121.db2.gz IAUKKZPIXWWLBL-LGJNPRDNSA-N 0 0 496.317 5.367 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OCc1ccccc1 ZINC000408591179 570209165 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455.518 5.272 40 30 JKEBRN COC(=O)c1ccc(COc2ccc(/C=N/N(Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000012614024 195054321 /nfs/dbraw/zinc/05/43/21/195054321.db2.gz WEUWPTGTBKXOTG-TWKHWXDSSA-N 0 0 450.538 6.093 40 30 JKEBRN COc1cccc(NC(=S)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 ZINC000012624452 195058955 /nfs/dbraw/zinc/05/89/55/195058955.db2.gz SPFXARHELDAPLL-VFCFBJKWSA-N 0 0 452.583 6.486 40 30 JKEBRN COc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl ZINC000012660889 195080728 /nfs/dbraw/zinc/08/07/28/195080728.db2.gz HGRMHGBBGJCPHD-KVSWJAHQSA-N 0 0 469.290 7.046 40 30 JKEBRN S=C(N/N=C1\CCC/C(=N/NC(=S)Nc2ccccc2Cl)C1)Nc1ccccc1Cl ZINC000012658912 195079230 /nfs/dbraw/zinc/07/92/30/195079230.db2.gz DGBBMKWVOQBALC-KGRJIBJCSA-N 0 0 479.462 5.552 40 30 JKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccc(C)cc3)c3c(C)cc(OC(C)=O)cc3O2)N1 ZINC000012716842 195097360 /nfs/dbraw/zinc/09/73/60/195097360.db2.gz QAGHOIQQMFDPDB-CUNXSJBXSA-N 0 0 464.631 5.887 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000020831238 195229804 /nfs/dbraw/zinc/22/98/04/195229804.db2.gz OUJCMTSMBFYUNF-UHFFFAOYSA-N 0 0 468.667 5.629 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000020761506 195217928 /nfs/dbraw/zinc/21/79/28/195217928.db2.gz IQWWKACGPDUMIH-AFUMVMLFSA-N 0 0 455.352 5.169 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCc1ccccc1 ZINC000020761643 195217973 /nfs/dbraw/zinc/21/79/73/195217973.db2.gz XHXCOMPCEAECBV-CVKSISIWSA-N 0 0 469.379 5.559 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000020763060 195218790 /nfs/dbraw/zinc/21/87/90/195218790.db2.gz DUTCAIFFQWNNHH-KKMKTNMSSA-N 0 0 479.791 6.367 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000020763225 195219167 /nfs/dbraw/zinc/21/91/67/195219167.db2.gz LDEPXPSOASIWBV-XODNFHPESA-N 0 0 493.818 6.757 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1cccc2ccccc21 ZINC000020763240 195219235 /nfs/dbraw/zinc/21/92/35/195219235.db2.gz ZNWKDWHWBIXJTC-OCSSWDANSA-N 0 0 474.988 6.603 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000020763177 195219239 /nfs/dbraw/zinc/21/92/39/195219239.db2.gz KKEOLDFALWUJLW-MZJWZYIUSA-N 0 0 459.373 6.103 40 30 JKEBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000021267203 195292670 /nfs/dbraw/zinc/29/26/70/195292670.db2.gz ZSVMMEJGGSUYAY-ILBGXUMGSA-N 0 0 464.565 5.383 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 ZINC000058826737 195380711 /nfs/dbraw/zinc/38/07/11/195380711.db2.gz YJFPWCJONMKBRN-MBTHVWNTSA-N 0 0 489.553 6.377 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Br ZINC000058826608 195380815 /nfs/dbraw/zinc/38/08/15/195380815.db2.gz WXAUHBJUBWVIAU-ROTLSHHCSA-N 0 0 473.392 5.672 40 30 JKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 ZINC000058826472 195380826 /nfs/dbraw/zinc/38/08/26/195380826.db2.gz TUHJREKCYSOUBO-MBTHVWNTSA-N 0 0 489.553 6.377 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000058882382 195386104 /nfs/dbraw/zinc/38/61/04/195386104.db2.gz BCCURIQYSVKLJM-ONUIUJJFSA-N 0 0 496.563 5.198 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058884147 195386281 /nfs/dbraw/zinc/38/62/81/195386281.db2.gz MCHHQPBXZNSFNU-OTZYPNAKSA-N 0 0 493.361 5.125 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058884149 195386346 /nfs/dbraw/zinc/38/63/46/195386346.db2.gz MCHHQPBXZNSFNU-MSIOFZDNSA-N 0 0 493.361 5.125 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F ZINC000059102827 195387745 /nfs/dbraw/zinc/38/77/45/195387745.db2.gz FTXAVIVRXYAPQW-HHHXNRCGSA-N 0 0 495.635 7.334 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000059105028 195388545 /nfs/dbraw/zinc/38/85/45/195388545.db2.gz NUGZOHAIFUSQFX-ZXQIJLNISA-N 0 0 454.567 5.454 40 30 JKEBRN Cc1c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000059105833 195388708 /nfs/dbraw/zinc/38/87/08/195388708.db2.gz PCVFJISKZGHCSP-ZVHZXABRSA-N 0 0 475.976 6.682 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000059105897 195388710 /nfs/dbraw/zinc/38/87/10/195388710.db2.gz LHDNQSCDYNAAJK-FYJGNVAPSA-N 0 0 468.937 5.958 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000059105772 195388725 /nfs/dbraw/zinc/38/87/25/195388725.db2.gz VVBXVMZISCPJOS-BUVRLJJBSA-N 0 0 462.546 6.003 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059105886 195388742 /nfs/dbraw/zinc/38/87/42/195388742.db2.gz CURJITGIDONNNT-LPYMAVHISA-N 0 0 479.489 5.213 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1C#N ZINC000059105778 195388753 /nfs/dbraw/zinc/38/87/53/195388753.db2.gz AYVFCXCOFRFHQP-ZVHZXABRSA-N 0 0 473.529 5.567 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000059105740 195388812 /nfs/dbraw/zinc/38/88/12/195388812.db2.gz OQEWUGFDZCIIKX-ONUIUJJFSA-N 0 0 467.569 6.792 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000059105774 195388835 /nfs/dbraw/zinc/38/88/35/195388835.db2.gz FFGNEYMAMUTGFT-CIAFOILYSA-N 0 0 473.356 6.603 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059105904 195388977 /nfs/dbraw/zinc/38/89/77/195388977.db2.gz BNGYAJFAHPXJMJ-LPYMAVHISA-N 0 0 482.964 6.267 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059105903 195388985 /nfs/dbraw/zinc/38/89/85/195388985.db2.gz VHWXOZYNBCFRCQ-CIAFOILYSA-N 0 0 486.927 6.097 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059106039 195389005 /nfs/dbraw/zinc/38/90/05/195389005.db2.gz YOCZLFOUJOJUPV-OEAKJJBVSA-N 0 0 496.991 6.657 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000059106101 195389016 /nfs/dbraw/zinc/38/90/16/195389016.db2.gz ZALLTWIGJSNLCA-PCLIKHOPSA-N 0 0 488.584 6.342 40 30 JKEBRN O=C1N/C(=N\c2ccc(Br)c(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)o1 ZINC000059138049 195391922 /nfs/dbraw/zinc/39/19/22/195391922.db2.gz IINVYDYSOZWSOP-WJDWOHSUSA-N 0 0 466.788 5.577 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1 ZINC000059137870 195392029 /nfs/dbraw/zinc/39/20/29/195392029.db2.gz KZGLSYOTLOZOBO-BRHJTBNZSA-N 0 0 468.603 7.548 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(Br)cc4C)NC3=O)o2)cc1 ZINC000059137855 195392136 /nfs/dbraw/zinc/39/21/36/195392136.db2.gz IVYRTCWYWUTYRY-UNOMPAQXSA-N 0 0 485.428 6.702 40 30 JKEBRN C=CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000059142929 195393143 /nfs/dbraw/zinc/39/31/43/195393143.db2.gz OFHKMSIZNZJZKM-UHFFFAOYSA-N 0 0 490.109 5.683 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000059176532 195393475 /nfs/dbraw/zinc/39/34/75/195393475.db2.gz KOAROJNLBWWPOB-UHFFFAOYSA-N 0 0 458.587 5.544 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000059186062 195393720 /nfs/dbraw/zinc/39/37/20/195393720.db2.gz NOMKHHVPAYQZQV-QNGOZBTKSA-N 0 0 487.353 5.304 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)c1 ZINC000059193751 195393976 /nfs/dbraw/zinc/39/39/76/195393976.db2.gz NZXXBNKBYYZGNP-UVHMKAGCSA-N 0 0 482.392 7.091 40 30 JKEBRN COc1ccccc1C(=O)Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000059193766 195393989 /nfs/dbraw/zinc/39/39/89/195393989.db2.gz LXZAZJLLVYJGEG-UVHMKAGCSA-N 0 0 498.391 6.791 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccccc1 ZINC000059193740 195394056 /nfs/dbraw/zinc/39/40/56/195394056.db2.gz HIXYSDAEAYQYSF-UVHMKAGCSA-N 0 0 498.391 6.791 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000059193564 195394065 /nfs/dbraw/zinc/39/40/65/195394065.db2.gz LUDWGFUBNODMJN-UHFFFAOYSA-N 0 0 478.972 6.446 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccccc2Cl)c1 ZINC000059193485 195394075 /nfs/dbraw/zinc/39/40/75/195394075.db2.gz FPBPFRCVWPTPEI-UHFFFAOYSA-N 0 0 490.043 6.892 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059193648 195394092 /nfs/dbraw/zinc/39/40/92/195394092.db2.gz MTQYADJCEACBFK-MFKUBSTISA-N 0 0 479.583 5.341 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000059194443 195394259 /nfs/dbraw/zinc/39/42/59/195394259.db2.gz YLURWQMNZAXGHK-BRJLIKDPSA-N 0 0 472.353 6.277 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Br ZINC000059194489 195394265 /nfs/dbraw/zinc/39/42/65/195394265.db2.gz KGAGERRKBTXXRX-AFUMVMLFSA-N 0 0 496.386 6.123 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 ZINC000059223946 195395158 /nfs/dbraw/zinc/39/51/58/195395158.db2.gz QCYVMFUDNNTJDG-PCLIKHOPSA-N 0 0 458.583 6.173 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000059224180 195395177 /nfs/dbraw/zinc/39/51/77/195395177.db2.gz LMEJXTSGYBENHD-UUYOSTAYSA-N 0 0 469.393 6.772 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1 ZINC000059224251 195395324 /nfs/dbraw/zinc/39/53/24/195395324.db2.gz JFXHDYDOLGSFCD-MFOYZWKCSA-N 0 0 450.789 5.369 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(C)n1-c1cccnc1 ZINC000059245897 195395650 /nfs/dbraw/zinc/39/56/50/195395650.db2.gz UJJCCRZVXPOAIZ-MUFRIFMGSA-N 0 0 454.599 6.432 40 30 JKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)c(N2CCCC2)o1 ZINC000059247928 195395782 /nfs/dbraw/zinc/39/57/82/195395782.db2.gz NSEBLTIHWGDQBR-ZROIWOOFSA-N 0 0 487.206 5.841 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)S1 ZINC000059248333 195395894 /nfs/dbraw/zinc/39/58/94/195395894.db2.gz FVBKXZLKGMEMFR-UNOMPAQXSA-N 0 0 472.795 6.093 40 30 JKEBRN Cc1cc(/C=N/c2cccnc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059247898 195395900 /nfs/dbraw/zinc/39/59/00/195395900.db2.gz BOUXRVLJLUOZAK-OKCVXOCRSA-N 0 0 468.626 6.741 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059249348 195396027 /nfs/dbraw/zinc/39/60/27/195396027.db2.gz HVWZMALRNGMGLY-UFFVCSGVSA-N 0 0 451.729 6.814 40 30 JKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059249406 195396045 /nfs/dbraw/zinc/39/60/45/195396045.db2.gz DKIAYBKTKBSIKK-CAQPMQTCSA-N 0 0 495.692 7.963 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(OCC)c1O ZINC000059302430 195397252 /nfs/dbraw/zinc/39/72/52/195397252.db2.gz PEBCKECXWYUYNV-GMQXDGEASA-N 0 0 484.621 6.192 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000059303464 195397342 /nfs/dbraw/zinc/39/73/42/195397342.db2.gz DODYERRCFKNRGW-PDGQHHTCSA-N 0 0 458.768 5.785 40 30 JKEBRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000059415299 195399301 /nfs/dbraw/zinc/39/93/01/195399301.db2.gz GCGPCCBFTOUOSH-ZSLXANFHSA-N 0 0 468.770 7.802 40 30 JKEBRN CC(N=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccc2c3c(cccc31)CC2 ZINC000059417932 195399891 /nfs/dbraw/zinc/39/98/91/195399891.db2.gz ZMDSDNSDNWEGLM-HNSNBQBZSA-N 0 0 463.589 5.693 40 30 JKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)cc1 ZINC000059459187 195402773 /nfs/dbraw/zinc/40/27/73/195402773.db2.gz ZZGLVFHUUCMPFK-VULFUBBASA-N 0 0 490.610 6.809 40 30 JKEBRN COc1cc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000059459534 195402969 /nfs/dbraw/zinc/40/29/69/195402969.db2.gz OXKYZDNWXKURIF-ZOODIOSSSA-N 0 0 493.991 5.133 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 ZINC000059459543 195403049 /nfs/dbraw/zinc/40/30/49/195403049.db2.gz PECYZLZPMYSJIH-QMFOPCRCSA-N 0 0 452.385 6.069 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)NC[C@@H]1CCCO1 ZINC000059474857 195404188 /nfs/dbraw/zinc/40/41/88/195404188.db2.gz AJGLZVBDLQBROR-HPMPDSITSA-N 0 0 490.448 5.197 40 30 JKEBRN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)cc1 ZINC000059483409 195405210 /nfs/dbraw/zinc/40/52/10/195405210.db2.gz DAMNBUMDHCBARK-DHRITJCHSA-N 0 0 468.003 6.440 40 30 JKEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c1 ZINC000059489978 195407746 /nfs/dbraw/zinc/40/77/46/195407746.db2.gz IZITYANXGMOZHC-VULFUBBASA-N 0 0 480.638 5.788 40 30 JKEBRN O=[N+]([O-])c1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000059506166 195408619 /nfs/dbraw/zinc/40/86/19/195408619.db2.gz LAUMCXRZHFWXMR-RVLHIEJWSA-N 0 0 473.576 7.223 40 30 JKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000059639113 195410983 /nfs/dbraw/zinc/41/09/83/195410983.db2.gz WPTDLBJBZSLFCQ-WGOQTCKBSA-N 0 0 453.458 5.165 40 30 JKEBRN Cc1c(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000106695710 195458026 /nfs/dbraw/zinc/45/80/26/195458026.db2.gz DITNVRWTPYLDEZ-WGARJPEWSA-N 0 0 481.552 6.245 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000106707601 195459337 /nfs/dbraw/zinc/45/93/37/195459337.db2.gz MGWBBJMCCJRARN-UNOMPAQXSA-N 0 0 472.360 5.015 40 30 JKEBRN Cc1cc(/N=C\c2cccn2-c2ccc(Br)cc2)ccc1I ZINC000408853083 195494887 /nfs/dbraw/zinc/49/48/87/195494887.db2.gz YLXQAXOTMOJSQE-MTJSOVHGSA-N 0 0 465.132 5.903 40 30 JKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409050315 195499261 /nfs/dbraw/zinc/49/92/61/195499261.db2.gz UJAAYTNQGLMEMJ-MZJWZYIUSA-N 0 0 451.309 7.384 40 30 JKEBRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)C1=O ZINC000409231599 195507678 /nfs/dbraw/zinc/50/76/78/195507678.db2.gz LNQMBJKUUXPZKF-KEBDBYFISA-N 0 0 487.375 5.355 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409231944 195508564 /nfs/dbraw/zinc/50/85/64/195508564.db2.gz GLECKFFYSQKOIK-WGOQTCKBSA-N 0 0 482.580 5.712 40 30 JKEBRN CCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095682034 129919632 /nfs/dbraw/zinc/91/96/32/129919632.db2.gz LIODJDZCWYLWSB-UHFFFAOYSA-N 0 0 471.422 5.140 40 30 JKEBRN C(=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)\c1cccc(Oc2ccccc2)c1 ZINC000096305051 130054898 /nfs/dbraw/zinc/05/48/98/130054898.db2.gz YGUOVAPULZJKPY-WLLQDKKRSA-N 0 0 483.655 9.019 40 30 JKEBRN Cc1ccc(CCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)o1 ZINC000096306183 130056385 /nfs/dbraw/zinc/05/63/85/130056385.db2.gz IAEKBNBCAORMFC-NTCAYCPXSA-N 0 0 459.929 6.969 40 30 JKEBRN N#Cc1c2sc3ccccc3n2c(=O)c(C#N)c1-c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000096306132 130056390 /nfs/dbraw/zinc/05/63/90/130056390.db2.gz ZCYHYMKYSPLYGH-UHFFFAOYSA-N 0 0 477.492 6.672 40 30 JKEBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1C ZINC000096471382 130096473 /nfs/dbraw/zinc/09/64/73/130096473.db2.gz MENCWTOGENZPKM-UUYOSTAYSA-N 0 0 457.511 5.110 40 30 JKEBRN Cc1ccc(-c2noc(-c3s/c(=N/C(=N/c4ccccc4)c4ccccc4)n(C)c3N)n2)cc1 ZINC000102478822 130135196 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COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567824 522834746 /nfs/dbraw/zinc/83/47/46/522834746.db2.gz SWFASERGKWOLFY-GOSISDBHSA-N 0 0 453.510 5.015 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000019898346 522887871 /nfs/dbraw/zinc/88/78/71/522887871.db2.gz AVYSZDLTTLTJOS-DEOSSOPVSA-N 0 0 471.940 5.660 40 30 JKEBRN COc1cc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)C(C)C ZINC000014983606 522970721 /nfs/dbraw/zinc/97/07/21/522970721.db2.gz WNBIWJCXNHORGV-SANMLTNESA-N 0 0 469.581 6.610 40 30 JKEBRN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000006157146 523083283 /nfs/dbraw/zinc/08/32/83/523083283.db2.gz VULWMLQMCPGSBL-UHFFFAOYSA-N 0 0 483.549 6.505 40 30 JKEBRN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000006157127 523084516 /nfs/dbraw/zinc/08/45/16/523084516.db2.gz PNAVXIWYDINARW-UHFFFAOYSA-N 0 0 481.577 6.035 40 30 JKEBRN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000006157147 523084560 /nfs/dbraw/zinc/08/45/60/523084560.db2.gz PSXUBSKLOQKISN-UHFFFAOYSA-N 0 0 472.997 7.250 40 30 JKEBRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(S[C@@H](C)C(=O)Nc3ccccc3C)c2C#N)cc1 ZINC000006246178 523084709 /nfs/dbraw/zinc/08/47/09/523084709.db2.gz KMACNJOPWCDWJT-NRFANRHFSA-N 0 0 493.632 7.032 40 30 JKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3Cl)c2C#N)cc1OC ZINC000006162820 523085846 /nfs/dbraw/zinc/08/58/46/523085846.db2.gz DURDAGAHZFBCQJ-UHFFFAOYSA-N 0 0 472.997 7.250 40 30 JKEBRN COc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1Br ZINC000003030284 523227322 /nfs/dbraw/zinc/22/73/22/523227322.db2.gz MQBVBBTYKYTJSU-OPEKNORGSA-N 0 0 476.157 7.323 40 30 JKEBRN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)[C@@H](C(=O)OC)[C@H](C)C4)ccc21 ZINC000009762526 523276274 /nfs/dbraw/zinc/27/62/74/523276274.db2.gz YBTJRSSOHJZJLW-QVEIXBDLSA-N 0 0 479.580 6.045 40 30 JKEBRN COc1ccc(/C(=N/N=C(\c2ccccc2)c2ccc(OC)cc2O)c2ccccc2)c(O)c1 ZINC000016215378 523358756 /nfs/dbraw/zinc/35/87/56/523358756.db2.gz QIYBVQRACSJHHO-QAVVBOBSSA-N 0 0 452.510 5.405 40 30 JKEBRN COc1ccc(/C(CCCCCCCCCC/C(=N\O)c2ccc(OC)cc2O)=N/O)c(O)c1 ZINC000016215381 523366982 /nfs/dbraw/zinc/36/69/82/523366982.db2.gz GGXPZXNEMBFPCP-LMCGJEQXSA-N 0 0 472.582 6.073 40 30 JKEBRN COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(OC)c1OC ZINC000016158844 523401620 /nfs/dbraw/zinc/40/16/20/523401620.db2.gz VNDPHFBVVNTHRN-RIYZIHGNSA-N 0 0 486.442 5.847 40 30 JKEBRN COc1ccc(/C=C/c2nc3ccccc3c3nc(/N=C\c4ccc(OC)c(OC)c4)nn32)cc1OC ZINC000016227132 523408762 /nfs/dbraw/zinc/40/87/62/523408762.db2.gz STGAVAGNKGYJNQ-WWODVZSHSA-N 0 0 495.539 5.233 40 30 JKEBRN COc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000012436601 523415539 /nfs/dbraw/zinc/41/55/39/523415539.db2.gz TXCISFRNGOMHIN-AYRZQKSOSA-N 0 0 450.575 6.213 40 30 JKEBRN COc1ccc(/C=N/c2cc(/N=C\c3ccc(OC)c(O)c3)ccc2OC(F)(F)C(F)F)cc1O ZINC000003242673 523451932 /nfs/dbraw/zinc/45/19/32/523451932.db2.gz GHOJYENFZYJRSA-UQTTYRPXSA-N 0 0 492.425 5.853 40 30 JKEBRN COc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000015188096 523453426 /nfs/dbraw/zinc/45/34/26/523453426.db2.gz KPZZERWHDWXWKG-MRDBGVBGSA-N 0 0 458.605 7.323 40 30 JKEBRN COc1ccc(/N=C(\c2ccccc2)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033445938 523464348 /nfs/dbraw/zinc/46/43/48/523464348.db2.gz DNFXWKNWBCVWOE-ZQHSETAFSA-N 0 0 486.593 5.986 40 30 JKEBRN COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(C(C)C)cc1)c1c(ccc3ccccc31)N2 ZINC000014945074 523668600 /nfs/dbraw/zinc/66/86/00/523668600.db2.gz MVPCZCZRWJZHSN-IGKIAQTJSA-N 0 0 453.582 6.563 40 30 JKEBRN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000009264257 523679755 /nfs/dbraw/zinc/67/97/55/523679755.db2.gz QOJRDPWSGANIPM-YKGWIAGDSA-N 0 0 490.559 6.503 40 30 JKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)S2)cc1 ZINC000033562367 523875565 /nfs/dbraw/zinc/87/55/65/523875565.db2.gz ADVLBZDJRLNEPB-XKZIYDEJSA-N 0 0 480.431 6.311 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000004764983 523943178 /nfs/dbraw/zinc/94/31/78/523943178.db2.gz PITWDGFWPAQRPW-HGMMTPDKSA-N 0 0 489.568 5.044 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000009968634 523944325 /nfs/dbraw/zinc/94/43/25/523944325.db2.gz VBSARBPPMGRIJZ-ADCSMLMYSA-N 0 0 468.553 5.497 40 30 JKEBRN COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccc(OC(C)=O)c(OC)c1)c1c(ccc3ccccc31)N2 ZINC000014945103 523944683 /nfs/dbraw/zinc/94/46/83/523944683.db2.gz BMDZSXLQSKWJJJ-SHQCIBLASA-N 0 0 499.563 5.373 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000013567184 524051717 /nfs/dbraw/zinc/05/17/17/524051717.db2.gz CZGYGEOGGFFFML-ZBLYBZFDSA-N 0 0 467.569 5.546 40 30 JKEBRN Cc1ccc2sc(-c3ccc(/N=C/c4cc5c(cc4Br)OCO5)cc3)nc2c1 ZINC000014922910 524099543 /nfs/dbraw/zinc/09/95/43/524099543.db2.gz DIMLJQQWWKGSOD-BHGWPJFGSA-N 0 0 451.345 6.514 40 30 JKEBRN Cc1cccc(-c2nc3cc(/N=C/c4cccc(OC(=O)c5ccccc5Cl)c4)ccc3o2)c1 ZINC000016349866 524120759 /nfs/dbraw/zinc/12/07/59/524120759.db2.gz RIVSCSDCLNPFSD-OCSSWDANSA-N 0 0 466.924 7.426 40 30 JKEBRN Cc1cccc(/N=c2\scc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)cc3)n2CCO)c1C ZINC000027525868 524156126 /nfs/dbraw/zinc/15/61/26/524156126.db2.gz WVCWAKVPLMRRAO-FSGOGVSDSA-N 0 0 492.460 6.348 40 30 JKEBRN C[C@H]1CCC[C@H](N2C(=O)[C@@](NC(=O)c3ccc(F)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)[C@H]1C ZINC000002432068 524204319 /nfs/dbraw/zinc/20/43/19/524204319.db2.gz LLHBYJHDXPSLDI-XVTPHWQTSA-N 0 0 494.529 5.167 40 30 JKEBRN COc1ccccc1-c1cnnc(N=NCc2ccc(OCc3ccccc3)c(Br)c2)n1 ZINC000015015906 524277272 /nfs/dbraw/zinc/27/72/72/524277272.db2.gz PNGIUXOREBGVAP-VULFUBBASA-N 0 0 490.361 5.335 40 30 JKEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000008820809 524328958 /nfs/dbraw/zinc/32/89/58/524328958.db2.gz VIYPEFHOTGMMBY-HMAPJEAMSA-N 0 0 450.947 5.819 40 30 JKEBRN COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000021355792 524611980 /nfs/dbraw/zinc/61/19/80/524611980.db2.gz SUONWHSEWHKNPZ-MHZLTWQESA-N 0 0 467.569 6.544 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4C(F)(F)F)NC3=O)cc2)cc1 ZINC000008820764 524627626 /nfs/dbraw/zinc/62/76/26/524627626.db2.gz VCJYDNQMDBBZPM-HMAPJEAMSA-N 0 0 468.500 6.484 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4cccc(C(F)(F)F)c4)NC3=O)cc2)cc1 ZINC000008820765 524629265 /nfs/dbraw/zinc/62/92/65/524629265.db2.gz WOMFLHFBEUNARZ-XKZIYDEJSA-N 0 0 468.500 6.484 40 30 JKEBRN COc1ccc(NC(=O)c2ccc(N=NC3c4ccccc4-c4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000015227876 524634668 /nfs/dbraw/zinc/63/46/68/524634668.db2.gz PQHRAHNRWVXRAC-UHFFFAOYSA-N 0 0 464.481 5.701 40 30 JKEBRN Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/OC(=O)c4ccc(Cl)cc4Cl)C2)C3(C)C)c1 ZINC000016712956 524652580 /nfs/dbraw/zinc/65/25/80/524652580.db2.gz ULFRGIUWAHWEPD-QRIPFGBTSA-N 0 0 473.400 6.670 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc4c(Br)cccc34)sc2C1 ZINC000022741551 524721171 /nfs/dbraw/zinc/72/11/71/524721171.db2.gz OAOMXFYRNOSAIM-GFCCVEGCSA-N 0 0 484.444 5.787 40 30 JKEBRN COc1ccc(OC)c(/C(CCCCCCCC/C(=N\O)c2cc(OC)ccc2OC)=N/O)c1 ZINC000016215179 524798403 /nfs/dbraw/zinc/79/84/03/524798403.db2.gz UATYGDRBFKJBTI-LMCGJEQXSA-N 0 0 472.582 5.899 40 30 JKEBRN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000035520528 524976315 /nfs/dbraw/zinc/97/63/15/524976315.db2.gz MTIZIQGOPPLCMG-WVBBGBOVSA-N 0 0 475.585 5.065 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2Cl)nc1 ZINC000020058965 525020860 /nfs/dbraw/zinc/02/08/60/525020860.db2.gz HMXXKGXQWCLJMB-SSOJOUAXSA-N 0 0 473.960 5.637 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000006077342 525216477 /nfs/dbraw/zinc/21/64/77/525216477.db2.gz NDCFNXWPRJWZPC-IQGLISFBSA-N 0 0 471.582 5.152 40 30 JKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000016362927 525230781 /nfs/dbraw/zinc/23/07/81/525230781.db2.gz LJXCRDCSVBVMEV-HSZRJFAPSA-N 0 0 451.482 5.110 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567903 525234616 /nfs/dbraw/zinc/23/46/16/525234616.db2.gz QTYBOFITACKKRZ-KRWDZBQOSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1OC ZINC000012847055 525259167 /nfs/dbraw/zinc/25/91/67/525259167.db2.gz ZCTSHQSVWSTDNY-UGKGYDQZSA-N 0 0 499.493 5.269 40 30 JKEBRN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)O[C@H](c3ccccc3)[C@@]23CC/C(=C\c2ccccc2)C3=O)cc1 ZINC000035878047 525275382 /nfs/dbraw/zinc/27/53/82/525275382.db2.gz RKBDOAXHCTZDTQ-TYPQQHHASA-N 0 0 494.631 6.862 40 30 JKEBRN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c(C)c1Cl ZINC000016267674 525307410 /nfs/dbraw/zinc/30/74/10/525307410.db2.gz HPZFWFXSKQKLFA-OPEKNORGSA-N 0 0 455.739 6.984 40 30 JKEBRN Cc1ccc(Nc2nc(N=NCc3ccccc3F)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000015134999 525326943 /nfs/dbraw/zinc/32/69/43/525326943.db2.gz AIATWNMVVSTTDZ-VULFUBBASA-N 0 0 472.484 5.469 40 30 JKEBRN C[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004777618 525350761 /nfs/dbraw/zinc/35/07/61/525350761.db2.gz XDDMZNADWGQPRQ-CERPAYOZSA-N 0 0 458.234 5.491 40 30 in-vitro JKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C ZINC000012445205 525445311 /nfs/dbraw/zinc/44/53/11/525445311.db2.gz LPZXTQNJJLOMQX-XUEUYAKLSA-N 0 0 487.431 5.916 40 30 JKEBRN Cc1ccc(OCc2nc3ccccc3c(=O)n2/N=C/c2cccc([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000016284688 525450148 /nfs/dbraw/zinc/45/01/48/525450148.db2.gz RPEZUNGIVXLSGW-JFLMPSFJSA-N 0 0 456.502 5.198 40 30 JKEBRN Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccc(N(C)C)cc3)c(Cl)cc2Cl)cc1 ZINC000003075014 525592831 /nfs/dbraw/zinc/59/28/31/525592831.db2.gz ZRMBYOHECWIGSQ-AFUMVMLFSA-N 0 0 462.402 5.919 40 30 JKEBRN COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3ccc(Br)cc3)c2c1 ZINC000016227750 525658740 /nfs/dbraw/zinc/65/87/40/525658740.db2.gz ZTPVDJCLAMVKMT-OBZSEMDPSA-N 0 0 458.359 6.622 40 30 JKEBRN COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3cc(Br)ccc3O)c2c1 ZINC000016227747 525659031 /nfs/dbraw/zinc/65/90/31/525659031.db2.gz RVOSIAJQBJTYMJ-UPNTTZCHSA-N 0 0 474.358 6.328 40 30 JKEBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cc2ccccc2Cl)ccc1O ZINC000016311765 525823282 /nfs/dbraw/zinc/82/32/82/525823282.db2.gz DFMSDXBSMXCRDE-WCMJOSRZSA-N 0 0 487.386 8.157 40 30 JKEBRN Cc1ccc(-c2nnc(N=NC3=CC(c4ccccc4)[C@](O)(c4ccccc4)C3)c3ccccc32)cc1C ZINC000038173211 525848083 /nfs/dbraw/zinc/84/80/83/525848083.db2.gz WQSIZVYOBOVCLD-KWXSEZBSSA-N 0 0 496.614 7.057 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4ccc(C)c(C)c4)c3)ccc2O)cc1C ZINC000014921810 525968363 /nfs/dbraw/zinc/96/83/63/525968363.db2.gz MGSBWDLYYYBCTK-XYHIKERESA-N 0 0 462.593 7.423 40 30 JKEBRN Cc1ccc([N-][NH+]=C2C=CC(=O)C(C=Nc3cccc(-c4nc5cc(Cl)ccc5o4)c3)=C2)cc1C ZINC000016311883 525973266 /nfs/dbraw/zinc/97/32/66/525973266.db2.gz HGKLCCJIPASHJD-ZWBTVFMKSA-N 0 0 480.955 8.637 40 30 JKEBRN Cc1ccc(C(=O)CC(=CC(=O)c2ccc(I)cc2)c2ccccc2)cc1 ZINC000012339458 526013880 /nfs/dbraw/zinc/01/38/80/526013880.db2.gz JSJHYOLFPUQZCY-RCCKNPSSSA-N 0 0 466.318 6.139 40 30 JKEBRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1 ZINC000012847219 526035662 /nfs/dbraw/zinc/03/56/62/526035662.db2.gz VMLUZPANTWVIQZ-NHCUHLMSSA-N 0 0 453.468 5.560 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000016268319 526088123 /nfs/dbraw/zinc/08/81/23/526088123.db2.gz IXBYZXKMRNZDHH-DEDYPNTBSA-N 0 0 452.377 5.748 40 30 JKEBRN Cc1cc(/C=N/N2CCN(/N=C\c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)n1-c1ccccc1 ZINC000008627461 526093897 /nfs/dbraw/zinc/09/38/97/526093897.db2.gz IRLQEQZXMIREPE-MXEGIGMXSA-N 0 0 478.644 5.487 40 30 JKEBRN Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N=NCc3c4ccccc4cc4ccccc43)c2c1 ZINC000013302443 526245053 /nfs/dbraw/zinc/24/50/53/526245053.db2.gz AHFWTBYIRIJQIA-IPPBACCNSA-N 0 0 479.798 7.517 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000033618310 526267942 /nfs/dbraw/zinc/26/79/42/526267942.db2.gz XRCZZXJQRQFMCX-DEOSSOPVSA-N 0 0 491.374 6.296 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000018066503 526268893 /nfs/dbraw/zinc/26/88/93/526268893.db2.gz WJFKZRYJIBQMLK-JOCHJYFZSA-N 0 0 462.889 5.069 40 30 JKEBRN Oc1ccc(C=Nc2ccc(-c3nc4cc(N=Cc5ccc(O)cc5O)ccc4[nH]3)cc2)c(O)c1 ZINC000003144636 526339812 /nfs/dbraw/zinc/33/98/12/526339812.db2.gz OMLMQNIIJSKTTJ-RABJZLPGSA-N 0 0 464.481 5.554 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016431015 526342103 /nfs/dbraw/zinc/34/21/03/526342103.db2.gz DSCHZGYTIWXPDO-OAHLVZFQSA-N 0 0 483.190 6.409 40 30 JKEBRN Fc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000016401683 526342264 /nfs/dbraw/zinc/34/22/64/526342264.db2.gz HOZQGUXENPLQHZ-RWPZCVJISA-N 0 0 459.348 6.299 40 30 JKEBRN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016450177 526344464 /nfs/dbraw/zinc/34/44/64/526344464.db2.gz JSKVPTJLLQBJQI-OKCVXOCRSA-N 0 0 474.910 6.242 40 30 JKEBRN Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000020522953 526345385 /nfs/dbraw/zinc/34/53/85/526345385.db2.gz LVJFYHAJNIJWQF-UZWMFBFFSA-N 0 0 454.529 7.695 40 30 JKEBRN Oc1ccc(I)cc1C=Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000015134757 526350717 /nfs/dbraw/zinc/35/07/17/526350717.db2.gz CTYKZCXTWQVJTR-FOKLQQMPSA-N 0 0 457.246 5.430 40 30 JKEBRN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000016476891 526429185 /nfs/dbraw/zinc/42/91/85/526429185.db2.gz SFYNUMRXIVLJBG-CCDWMCETSA-N 0 0 453.904 5.763 40 30 JKEBRN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000016034568 526430075 /nfs/dbraw/zinc/43/00/75/526430075.db2.gz ONNWGFGPJJRLTP-CCDWMCETSA-N 0 0 470.359 6.278 40 30 JKEBRN N#Cc1c2c(sc1/N=C/c1cn(Cc3ccc(Cl)cc3Cl)c3ccccc13)CCCC2 ZINC000002901032 526532428 /nfs/dbraw/zinc/53/24/28/526532428.db2.gz AAZHVSMKJPRCJN-VFLNYLIXSA-N 0 0 464.421 7.559 40 30 JKEBRN N#Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)o2)cc1 ZINC000009261452 526581594 /nfs/dbraw/zinc/58/15/94/526581594.db2.gz CQSOKEVYNLIDGY-YNTCVYINSA-N 0 0 451.507 6.215 40 30 JKEBRN Cc1nc(-c2nc(C)c(C(=O)/C=C\c3ccc(C)cc3)s2)sc1C(=O)/C=C/c1ccc(C)cc1 ZINC000017210674 526623572 /nfs/dbraw/zinc/62/35/72/526623572.db2.gz GVTZGBOVXHXOOH-VCFJNTAESA-N 0 0 484.646 7.292 40 30 JKEBRN Cc1nc(-c2nc(C)c(C(=O)/C=C/c3ccc(C)cc3)s2)sc1C(=O)/C=C/c1ccc(C)cc1 ZINC000005808936 526624369 /nfs/dbraw/zinc/62/43/69/526624369.db2.gz GVTZGBOVXHXOOH-WXUKJITCSA-N 0 0 484.646 7.292 40 30 JKEBRN N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009197698 526629337 /nfs/dbraw/zinc/62/93/37/526629337.db2.gz GDSFRKINAWAKAD-FJEPWZHXSA-N 0 0 460.364 6.721 40 30 JKEBRN N#Cc1ccccc1COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1Br ZINC000020509880 526736713 /nfs/dbraw/zinc/73/67/13/526736713.db2.gz ADVYNHCHLKBARK-QFIPXVFZSA-N 0 0 450.361 5.597 40 30 JKEBRN Cc1nc(C2=C(N)N(C[C@@]3(C)CCC[C@@]4(C)c5ccc(C(C)C)cc5CC[C@H]43)CC2=O)sc1C ZINC000043746959 526770388 /nfs/dbraw/zinc/77/03/88/526770388.db2.gz ULCIZPKXBYEOTI-DOUMQJFESA-N 0 0 477.718 6.106 40 30 JKEBRN Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000016400069 526923630 /nfs/dbraw/zinc/92/36/30/526923630.db2.gz DCZFYBOMAYMYGQ-WVNBFDEUSA-N 0 0 487.022 7.128 40 30 JKEBRN O=C1/C(=C/c2ccccc2)CC[C@@]12CC1=C(O[C@@H]2c2ccccc2)[C@H](C2=CCCCC2)CCC1 ZINC000035877758 526941813 /nfs/dbraw/zinc/94/18/13/526941813.db2.gz CEWFKTJMXFUPQH-QZRIMVKQSA-N 0 0 450.622 8.136 40 30 JKEBRN OC1=C(C[C@H]2CCCO2)C(=S)SC1=Cc1cn(Cc2cccc(F)c2)c2ccccc12 ZINC000022532508 526943131 /nfs/dbraw/zinc/94/31/31/526943131.db2.gz YDGQBJPEBBQJHC-LZGNUZBMSA-N 0 0 451.588 5.998 40 30 JKEBRN O=C1/C(=C\c2ccc(N3CCCC3)c(F)c2)S/C(=N\c2ccccc2)N1Cc1cccnc1 ZINC000015013478 526945964 /nfs/dbraw/zinc/94/59/64/526945964.db2.gz MDBAQOXEVOCHLL-JTUAQWGLSA-N 0 0 458.562 5.625 40 30 JKEBRN Clc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1Cl ZINC000009197001 526951598 /nfs/dbraw/zinc/95/15/98/526951598.db2.gz HLZUFXGOLYAYOP-KBKYJPHKSA-N 0 0 454.184 7.003 40 30 JKEBRN Clc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1Cl ZINC000009196751 526951788 /nfs/dbraw/zinc/95/17/88/526951788.db2.gz SWPDEAIIKSGHIU-KBKYJPHKSA-N 0 0 454.184 7.003 40 30 JKEBRN Clc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl ZINC000009196054 526954314 /nfs/dbraw/zinc/95/43/14/526954314.db2.gz AQNHWUBJKGZNOR-IPBVOBEMSA-N 0 0 477.222 7.427 40 30 JKEBRN Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009196835 526958985 /nfs/dbraw/zinc/95/89/85/526958985.db2.gz PJPCKOGMZSGVSA-YPXUMCKCSA-N 0 0 488.629 7.656 40 30 JKEBRN O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)c1c(=O)[nH]c(N3CCCCC3)nc1N2 ZINC000022607011 526969799 /nfs/dbraw/zinc/96/97/99/526969799.db2.gz YBYWBEFSYDNIAH-QHCPKHFHSA-N 0 0 468.557 5.117 40 30 JKEBRN Clc1cccc(Cl)c1CN/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000009195124 526979285 /nfs/dbraw/zinc/97/92/85/526979285.db2.gz SZUDDFKSOQJDRG-BRJLIKDPSA-N 0 0 464.190 6.459 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br ZINC000009195179 526989448 /nfs/dbraw/zinc/98/94/48/526989448.db2.gz FYIHUACMGKAYCR-KBKYJPHKSA-N 0 0 498.635 7.112 40 30 JKEBRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022246176 527002949 /nfs/dbraw/zinc/00/29/49/527002949.db2.gz CKKFOEUOEVBLQA-UHFFFAOYSA-N 0 0 463.378 6.624 40 30 JKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000012274895 527040500 /nfs/dbraw/zinc/04/05/00/527040500.db2.gz ABTKCZMUIJIVRE-LICLKQGHSA-N 0 0 494.197 6.908 40 30 JKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc(Br)c1 ZINC000008821160 527040807 /nfs/dbraw/zinc/04/08/07/527040807.db2.gz OKVJGBZSKPPZKN-AUWJEWJLSA-N 0 0 461.690 6.013 40 30 JKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821088 527042127 /nfs/dbraw/zinc/04/21/27/527042127.db2.gz GRVIBPRZRBUMPM-WOJGMQOQSA-N 0 0 470.304 5.509 40 30 JKEBRN O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)/C(=N/Nc2ccc(F)cc2)S1 ZINC000036633809 527044269 /nfs/dbraw/zinc/04/42/69/527044269.db2.gz DEGAULULDRULBT-PDQUCZHJSA-N 0 0 477.952 6.321 40 30 JKEBRN O=C(CSc1n[nH]c(N=NC=CCc2ccccc2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020508620 527049249 /nfs/dbraw/zinc/04/92/49/527049249.db2.gz JVPVJYGMGLURIQ-NMBKOFFWSA-N 0 0 480.903 5.319 40 30 JKEBRN O=C(CSc1nc2ccccc2o1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000030823022 527063696 /nfs/dbraw/zinc/06/36/96/527063696.db2.gz UGAHVYAOCAAZER-VWLOTQADSA-N 0 0 471.538 5.720 40 30 JKEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cn(Cc3cccc4ccccc43)c3ccccc13)[C@@H]1C=C[C@H]2CC1 ZINC000015228173 527110748 /nfs/dbraw/zinc/11/07/48/527110748.db2.gz RGZFREJEEMJRJV-NMRKUVAUSA-N 0 0 459.549 5.374 40 30 JKEBRN O=C(C[C@H](c1ccccc1)[C@@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016477310 527149555 /nfs/dbraw/zinc/14/95/55/527149555.db2.gz FWTIDJFJLMPZMZ-LDNVYYCDSA-N 0 0 479.623 8.322 40 30 JKEBRN O=C(C[C@H](c1ccccc1)[C@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016477316 527150350 /nfs/dbraw/zinc/15/03/50/527150350.db2.gz FWTIDJFJLMPZMZ-FHPVIJFVSA-N 0 0 479.623 8.322 40 30 JKEBRN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/Cc2ccc(F)cc2)S1 ZINC000015320290 527203939 /nfs/dbraw/zinc/20/39/39/527203939.db2.gz FJIMCJYSSIQDGE-YRUIYKTESA-N 0 0 483.515 5.133 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c(Br)c1 ZINC000009195690 527340941 /nfs/dbraw/zinc/34/09/41/527340941.db2.gz CBQVHPDOHGVBIE-LSFURLLWSA-N 0 0 469.122 6.048 40 30 JKEBRN O=[N+]([O-])c1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000016491780 527345290 /nfs/dbraw/zinc/34/52/90/527345290.db2.gz PPWDHMCXVKDEEE-TWKHWXDSSA-N 0 0 471.520 6.832 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196853 527352439 /nfs/dbraw/zinc/35/24/39/527352439.db2.gz 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N#Cc1c(SCC(=O)Nc2ccc(Br)cc2)nc2c(c1-c1ccc(O)cc1)CCCC2 ZINC000003146467 554427710 /nfs/dbraw/zinc/42/77/10/554427710.db2.gz LLMZQTRCGAGTAF-UHFFFAOYSA-N 0 0 494.414 5.698 40 30 JKEBRN O=P1(N/N=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003201807 554430282 /nfs/dbraw/zinc/43/02/82/554430282.db2.gz CDGIMHJFSQYGQF-VULFUBBASA-N 0 0 455.281 7.222 40 30 JKEBRN O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)C(F)(F)C(F)(F)F)C[C@@]1(O)c1ccccc1 ZINC000004018076 554472253 /nfs/dbraw/zinc/47/22/53/554472253.db2.gz FPOOROBCRGIAIH-MRXNPFEDSA-N 0 0 468.756 5.220 40 30 JKEBRN N#Cc1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4cc5ccccc5s4)c23)c1 ZINC000004237421 554476326 /nfs/dbraw/zinc/47/63/26/554476326.db2.gz FYPBDYTXYQEIGF-AZUAARDMSA-N 0 0 466.566 5.253 40 30 biogenic,in-vitro JKEBRN CN(/N=C/c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)N(C)/N=C\c1ccc(Cl)cc1 ZINC000004887437 554482900 /nfs/dbraw/zinc/48/29/00/554482900.db2.gz XHXDHQIFVMCWGX-XFPKHNAPSA-N 0 0 459.808 6.577 40 30 JKEBRN C=C1C(=O)O[C@@H]2CC(=C)[C@H](OC(=O)c3ccccc3)CC/C(C)=C/[C@@H](OC(=O)c3ccccc3)[C@@H]12 ZINC000005202234 554487131 /nfs/dbraw/zinc/48/71/31/554487131.db2.gz HJHCKVJSRQVHKT-SFJJGWAISA-N 0 0 472.537 5.222 40 30 JKEBRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2C1 ZINC000005221297 554487474 /nfs/dbraw/zinc/48/74/74/554487474.db2.gz RMIVRCBSQPCSCQ-PUGLKJDQSA-N 0 0 484.721 6.501 40 30 in-man JKEBRN CC(C)(C)C1=CC(=CC=C2C=CN(CCCCCCCCCCCO)C=C2)C=C(C(C)(C)C)C1=O ZINC000005759597 554493741 /nfs/dbraw/zinc/49/37/41/554493741.db2.gz VAYPFDGIIOIZGZ-UHFFFAOYSA-N 0 0 479.749 8.213 40 30 JKEBRN O/N=C1C(=C/c2ccc(Cl)c(Cl)c2)\CCC[C@@H]\1[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000005891954 554495226 /nfs/dbraw/zinc/49/52/26/554495226.db2.gz WJLNMDAGYMKYBT-RLGPUYRNSA-N 0 0 460.188 7.034 40 30 JKEBRN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005920564 554496045 /nfs/dbraw/zinc/49/60/45/554496045.db2.gz 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COc1c(Cl)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000008896387 554786110 /nfs/dbraw/zinc/78/61/10/554786110.db2.gz IZBNZJPWHKCEGF-LBPRGKRZSA-N 0 0 496.485 6.213 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)sc2C1 ZINC000008896430 554786140 /nfs/dbraw/zinc/78/61/40/554786140.db2.gz BUSRHEPLMDLTCY-VZUFXWRPSA-N 0 0 492.497 6.604 40 30 JKEBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000008896400 554786152 /nfs/dbraw/zinc/78/61/52/554786152.db2.gz WMSLSOLADVKPEM-QGZVFWFLSA-N 0 0 477.655 6.059 40 30 JKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c(F)c1 ZINC000008900002 554791620 /nfs/dbraw/zinc/79/16/20/554791620.db2.gz PSISICKOANXHFE-UHFFFAOYSA-N 0 0 486.300 6.674 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000008958848 554837007 /nfs/dbraw/zinc/83/70/07/554837007.db2.gz IBOLGRIHNYQQBH-JWGURIENSA-N 0 0 490.046 5.974 40 30 JKEBRN Cc1c(C#N)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C(=O)Nc1cccc(C)c1C ZINC000009059269 554877881 /nfs/dbraw/zinc/87/78/81/554877881.db2.gz PFYUFAVQHXZSAD-UHFFFAOYSA-N 0 0 468.922 5.611 40 30 JKEBRN N#Cc1ccccc1COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1I ZINC000009296326 555072805 /nfs/dbraw/zinc/07/28/05/555072805.db2.gz IBLWXCJQFYVGNE-YBFXNURJSA-N 0 0 478.289 5.235 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccco3)N4)sc2C1 ZINC000009305248 555078320 /nfs/dbraw/zinc/07/83/20/555078320.db2.gz UQWMDFLVVXNLSS-FVMIAERFSA-N 0 0 475.496 5.447 40 30 JKEBRN Cc1ccc(NS(=O)(=O)c2ccc(N=NC(C)c3ccc(C)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000013149063 555351374 /nfs/dbraw/zinc/35/13/74/555351374.db2.gz PEUMVVJLGAKMAS-JJIBRWJFSA-N 0 0 497.533 5.065 40 30 JKEBRN COCc1cc(C)nc(N=NCc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1C#N ZINC000013286036 555371733 /nfs/dbraw/zinc/37/17/33/555371733.db2.gz MZEMBXZPYLNAFH-MUXKCCDJSA-N 0 0 468.517 5.074 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)cc1C ZINC000013303839 555374047 /nfs/dbraw/zinc/37/40/47/555374047.db2.gz MLQMYLNNZQRAJS-QDJRPKQISA-N 0 0 453.633 6.086 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C)ccc1C ZINC000013306282 555375425 /nfs/dbraw/zinc/37/54/25/555375425.db2.gz HMXUUHOQKQNZEA-QDJRPKQISA-N 0 0 453.633 6.086 40 30 JKEBRN C=CCOc1c(I)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC ZINC000013371328 555392041 /nfs/dbraw/zinc/39/20/41/555392041.db2.gz XMNXHJZLUAFZHE-YVLHZVERSA-N 0 0 474.294 5.154 40 30 JKEBRN N#Cc1ccc(/C(Cl)=C/c2ccc(/C=C(\Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013403138 555396340 /nfs/dbraw/zinc/39/63/40/555396340.db2.gz MGZQRVWLAREXGQ-KGIZCEIGSA-N 0 0 491.290 6.720 40 30 JKEBRN Cc1cccc(F)c1C(=O)/C=C(/O[C@@]1(C#Cc2ccccc2)Cc2ccccc21)c1ccccc1 ZINC000013407616 555396988 /nfs/dbraw/zinc/39/69/88/555396988.db2.gz SRNWPJYJJSSVAL-OUXZYKPHSA-N 0 0 458.532 6.878 40 30 JKEBRN CC(C)c1cccc(C(C)C)c1/N=C/c1ccc(/C=N/c2c(C(C)C)cccc2C(C)C)cc1 ZINC000013410068 555397296 /nfs/dbraw/zinc/39/72/96/555397296.db2.gz DZPMXXSRJPFJID-ZXHXELASSA-N 0 0 452.686 9.681 40 30 JKEBRN COc1ccc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn32)cc1Br ZINC000013477983 555403098 /nfs/dbraw/zinc/40/30/98/555403098.db2.gz FIEIGONTKPAVSB-ZMOGYAJESA-N 0 0 452.308 5.237 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1ncnc3c(-c4ccc(Cl)cc4)nsc31)CCCC2 ZINC000013510989 555482805 /nfs/dbraw/zinc/48/28/05/555482805.db2.gz PZBURGBLLVYODJ-UHFFFAOYSA-N 0 0 498.058 5.949 40 30 JKEBRN CCOc1ccc2nc3c(cc2c1)CN(Cc1cccs1)/C(=N\c1ccccc1C(=O)OC)S3 ZINC000013511109 555483081 /nfs/dbraw/zinc/48/30/81/555483081.db2.gz YHKNDINKADJPLZ-BYCLXTJYSA-N 0 0 489.622 6.277 40 30 JKEBRN Cc1ccc2cc3c(nc2c1C)S/C(=N/C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C3 ZINC000013562158 555496158 /nfs/dbraw/zinc/49/61/58/555496158.db2.gz OQNQYYDGYHGWLR-CWHMERMBSA-N 0 0 461.587 5.223 40 30 JKEBRN Cc1cccc(/N=C2/Sc3nc4c(C)ccc(C)c4cc3CN2CCN2CCOCC2)c1C ZINC000013562175 555496161 /nfs/dbraw/zinc/49/61/61/555496161.db2.gz SVCWJLKRZHBKKT-BYYHNAKLSA-N 0 0 460.647 5.396 40 30 JKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C3 ZINC000013562196 555496637 /nfs/dbraw/zinc/49/66/37/555496637.db2.gz BSTKHKMPCOSFCX-CWHMERMBSA-N 0 0 461.587 5.223 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013567199 555504204 /nfs/dbraw/zinc/50/42/04/555504204.db2.gz OCHOVQDEWPUTKT-AVRWGWEMSA-N 0 0 473.960 5.637 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccc(F)c2)nc1 ZINC000013567220 555504247 /nfs/dbraw/zinc/50/42/47/555504247.db2.gz XRTMECWNIUCASO-BVZFJXPGSA-N 0 0 457.505 5.122 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567818 555505416 /nfs/dbraw/zinc/50/54/16/555505416.db2.gz APUKVSNLXCRVMU-MRXNPFEDSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567806 555505427 /nfs/dbraw/zinc/50/54/27/555505427.db2.gz HQBKLISLDQCROJ-GOSISDBHSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567803 555505437 /nfs/dbraw/zinc/50/54/37/555505437.db2.gz JAPDDHCEOZPZNV-INIZCTEOSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567802 555505501 /nfs/dbraw/zinc/50/55/01/555505501.db2.gz NUFJCLRMWDKWQU-MRXNPFEDSA-N 0 0 469.965 5.530 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC ZINC000013567888 555505694 /nfs/dbraw/zinc/50/56/94/555505694.db2.gz VNSILNXJUDBLTO-OAHLLOKOSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567843 555505721 /nfs/dbraw/zinc/50/57/21/555505721.db2.gz QNRURMVRROJIRX-SFHVURJKSA-N 0 0 453.966 5.829 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1OC ZINC000013567896 555505725 /nfs/dbraw/zinc/50/57/25/555505725.db2.gz BMLYTTMWMCYRNZ-QGZVFWFLSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)cc1OC ZINC000013567948 555505967 /nfs/dbraw/zinc/50/59/67/555505967.db2.gz JOLBOTZSGFHKBL-QGZVFWFLSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1cc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000013568605 555506912 /nfs/dbraw/zinc/50/69/12/555506912.db2.gz QXAUUNMZTMCVMR-PVPMGCCUSA-N 0 0 462.571 5.753 40 30 JKEBRN CCOc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000019855449 555512437 /nfs/dbraw/zinc/51/24/37/555512437.db2.gz YUTOJLSLIOJTMJ-ZTQUAGCESA-N 0 0 489.612 5.797 40 30 JKEBRN COc1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000019855677 555512992 /nfs/dbraw/zinc/51/29/92/555512992.db2.gz FXBTVKYYBVJQKW-ZTKZIYFRSA-N 0 0 486.593 5.850 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 ZINC000019855639 555513038 /nfs/dbraw/zinc/51/30/38/555513038.db2.gz PVFQOBBOEFVDCG-TURZUDJPSA-N 0 0 460.986 6.486 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000019855682 555513112 /nfs/dbraw/zinc/51/31/12/555513112.db2.gz MTRPCGARLSRNPU-RDRPBHBLSA-N 0 0 495.431 7.140 40 30 JKEBRN CC(C)c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855718 555513357 /nfs/dbraw/zinc/51/33/57/555513357.db2.gz IBZFZYLGFAZSNA-MWAVMZGNSA-N 0 0 468.622 6.956 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000013577010 555516854 /nfs/dbraw/zinc/51/68/54/555516854.db2.gz BGAWKHDFQDSZJV-BTRCZGFISA-N 0 0 461.499 5.421 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1cccs1)[C@@H]2c1ccc(F)cc1 ZINC000019894277 555531954 /nfs/dbraw/zinc/53/19/54/555531954.db2.gz WHDTZRSRIKFZMM-XMMPIXPASA-N 0 0 482.602 5.893 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3ccc(OC)cc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894553 555532841 /nfs/dbraw/zinc/53/28/41/555532841.db2.gz NRQODNBSOBGDPQ-AFUMVMLFSA-N 0 0 461.499 5.859 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc4ccccc4c3O)nc2-c2ccc(Cl)cc2)cc1 ZINC000019894549 555532974 /nfs/dbraw/zinc/53/29/74/555532974.db2.gz LZGZUPXHMQTSAK-RWPZCVJISA-N 0 0 485.952 7.648 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000019898344 555533825 /nfs/dbraw/zinc/53/38/25/555533825.db2.gz AVYSZDLTTLTJOS-XMMPIXPASA-N 0 0 471.940 5.660 40 30 JKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(O)c1 ZINC000019898625 555534407 /nfs/dbraw/zinc/53/44/07/555534407.db2.gz HPBUSKYDRCOZPM-CCLHPLFOSA-N 0 0 491.584 5.114 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)sc2C1 ZINC000019928159 555543150 /nfs/dbraw/zinc/54/31/50/555543150.db2.gz VQIOAODPRQSRNG-ZDUSSCGKSA-N 0 0 486.066 5.940 40 30 JKEBRN O=c1oc2ccc(Br)cc2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000013633657 555543597 /nfs/dbraw/zinc/54/35/97/555543597.db2.gz LWUGDHUDLKCRNQ-LSFURLLWSA-N 0 0 460.740 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CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000014276461 555783601 /nfs/dbraw/zinc/78/36/01/555783601.db2.gz TWWGTBRAYUTAQB-CQSZACIVSA-N 0 0 486.619 5.204 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000014279071 555790219 /nfs/dbraw/zinc/79/02/19/555790219.db2.gz KMZACIHCGPYZLX-OAHLLOKOSA-N 0 0 483.431 7.046 40 30 JKEBRN COc1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000014361260 555799415 /nfs/dbraw/zinc/79/94/15/555799415.db2.gz RJAFTHFIGKOBER-QQNMLFTLSA-N 0 0 499.826 5.665 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000014395469 555801977 /nfs/dbraw/zinc/80/19/77/555801977.db2.gz DULAACYRHXLJOE-UHFFFAOYSA-N 0 0 487.423 5.153 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1OC ZINC000014399795 555805173 /nfs/dbraw/zinc/80/51/73/555805173.db2.gz HCDZGAOEQRITMQ-UHFFFAOYSA-N 0 0 491.396 5.784 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)ccc1OC ZINC000014400170 555805704 /nfs/dbraw/zinc/80/57/04/555805704.db2.gz ASMAXWUXTNBSSJ-UHFFFAOYSA-N 0 0 450.560 5.094 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407589 555808523 /nfs/dbraw/zinc/80/85/23/555808523.db2.gz MNRIVLMBHBHMJM-AFUMVMLFSA-N 0 0 482.403 6.483 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408073 555808829 /nfs/dbraw/zinc/80/88/29/555808829.db2.gz MDBXYTAAURBRPP-LYOXXKGGSA-N 0 0 486.571 5.855 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014408529 555809524 /nfs/dbraw/zinc/80/95/24/555809524.db2.gz BYOZHOSUBHAEAM-HNSNBQBZSA-N 0 0 487.559 7.062 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408506 555809572 /nfs/dbraw/zinc/80/95/72/555809572.db2.gz GGRNKADMRMWUQQ-VTNSRFBWSA-N 0 0 483.354 8.803 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408503 555809598 /nfs/dbraw/zinc/80/95/98/555809598.db2.gz SXUWCSSYFSONQX-VTNSRFBWSA-N 0 0 483.354 8.803 40 30 JKEBRN COc1ccc([C@@H]2C(C)=Nc3ccccc3NC2=NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000014608003 555836161 /nfs/dbraw/zinc/83/61/61/555836161.db2.gz RGUGYCBXPGCDHD-QFIPXVFZSA-N 0 0 462.893 5.797 40 30 JKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000014608275 555836829 /nfs/dbraw/zinc/83/68/29/555836829.db2.gz LJYVLXKJJULRCW-YADARESESA-N 0 0 478.508 5.032 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(I)cc1 ZINC000014671921 555837863 /nfs/dbraw/zinc/83/78/63/555837863.db2.gz DKIZJMLUQCPKTO-FQEVSTJZSA-N 0 0 461.368 6.193 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cccc(OC(=O)c2ccc(Cl)cc2)c1 ZINC000014671918 555837871 /nfs/dbraw/zinc/83/78/71/555837871.db2.gz JKDVVVPFTQGWIO-AREMUKBSSA-N 0 0 490.024 7.461 40 30 JKEBRN COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000014671917 555837880 /nfs/dbraw/zinc/83/78/80/555837880.db2.gz YIDPZLWSAFHHFI-MUUNZHRXSA-N 0 0 471.622 7.176 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=S)Nc2ccc(C)c(Cl)c2)NCCc2c[nH]c3ccccc23)n1 ZINC000014730365 555839224 /nfs/dbraw/zinc/83/92/24/555839224.db2.gz LANNMWLWHYHXCL-UHFFFAOYSA-N 0 0 492.052 5.534 40 30 JKEBRN Cc1cc(C)nc(NC(=NC(=S)Nc2c(C)cccc2C)NCCc2c[nH]c3ccccc23)n1 ZINC000014730364 555839283 /nfs/dbraw/zinc/83/92/83/555839283.db2.gz DWTKCQSFQDMXKA-UHFFFAOYSA-N 0 0 471.634 5.189 40 30 JKEBRN Clc1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 ZINC000011992187 555877861 /nfs/dbraw/zinc/87/78/61/555877861.db2.gz WKHWUBNLPMFSDJ-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022110962 555878192 /nfs/dbraw/zinc/87/81/92/555878192.db2.gz ZDNYSZHGMZDQKK-UHFFFAOYSA-N 0 0 468.772 5.409 40 30 JKEBRN CCN1c2ccc(Br)cc2/C(=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)C1=O ZINC000015229647 555888969 /nfs/dbraw/zinc/88/89/69/555888969.db2.gz KRTVMYNQXHVFRV-OUIBMFCXSA-N 0 0 470.436 6.021 40 30 JKEBRN O=c1[nH]c2ccccc2c2c1[C@@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3s1)N2 ZINC000022564744 555935574 /nfs/dbraw/zinc/93/55/74/555935574.db2.gz GFZPXETWPHOBQO-HXUWFJFHSA-N 0 0 457.946 5.583 40 30 JKEBRN COc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2c[nH]c3ccccc32)C1 ZINC000022568031 555936777 /nfs/dbraw/zinc/93/67/77/555936777.db2.gz CNEJLOBSRIXJCT-YMGMXPECSA-N 0 0 460.537 5.942 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000022568027 555936786 /nfs/dbraw/zinc/93/67/86/555936786.db2.gz IKFXWOYONMPTJU-WRHNGFHOSA-N 0 0 460.537 5.942 40 30 JKEBRN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000022574793 555938333 /nfs/dbraw/zinc/93/83/33/555938333.db2.gz BGUCTYNRJKDVKT-XGCWNURASA-N 0 0 464.956 6.587 40 30 JKEBRN COc1ccc(C2C3=C(C[C@@H](c4ccccc4)CC3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000022711820 555945974 /nfs/dbraw/zinc/94/59/74/555945974.db2.gz VWUYLHBEOBHNMV-DNQXCXABSA-N 0 0 475.588 6.184 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)nc2c1 ZINC000022715776 555947412 /nfs/dbraw/zinc/94/74/12/555947412.db2.gz ROHMCJHBGLOHKC-PJAVDKHJSA-N 0 0 479.374 7.236 40 30 JKEBRN O=C1Nc2ccc(Br)cc2/C1=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O ZINC000022739197 555948619 /nfs/dbraw/zinc/94/86/19/555948619.db2.gz NTJVSZXSXIBVHN-JDQBESMRSA-N 0 0 482.403 5.708 40 30 JKEBRN Cc1sc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)c(C#N)c1C ZINC000012486852 555988015 /nfs/dbraw/zinc/98/80/15/555988015.db2.gz YMEVAFSCYFLXEK-UHFFFAOYSA-N 0 0 465.003 6.231 40 30 JKEBRN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCS/C2=N\c2ccccc2)c1 ZINC000012529080 555998216 /nfs/dbraw/zinc/99/82/16/555998216.db2.gz ZNWUCGVUWYXWIE-RQZHXJHFSA-N 0 0 491.638 5.335 40 30 JKEBRN O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1 ZINC000012538094 556011508 /nfs/dbraw/zinc/01/15/08/556011508.db2.gz JYGCNCZIOGAVQM-JWUHMJKCSA-N 0 0 474.369 5.369 40 30 JKEBRN O=C(CN1C(=O)C(=NNc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc21)Nc1ccc(F)cc1 ZINC000012558827 556049008 /nfs/dbraw/zinc/04/90/08/556049008.db2.gz QJIXDYBWSZLRLW-YQYKVWLJSA-N 0 0 490.844 5.299 40 30 JKEBRN C=CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OCCCC)cc1 ZINC000012566716 556064994 /nfs/dbraw/zinc/06/49/94/556064994.db2.gz OPKAPOPNJRJVCR-GLQBIYHJSA-N 0 0 476.465 6.188 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2Cl)cc1OC ZINC000015920262 556067236 /nfs/dbraw/zinc/06/72/36/556067236.db2.gz YURDIQNCODRSCW-JOCHJYFZSA-N 0 0 483.973 5.240 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000015920285 556067559 /nfs/dbraw/zinc/06/75/59/556067559.db2.gz DJQNMHULLPCSGK-VWLOTQADSA-N 0 0 475.541 5.241 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3Cl)c2c1 ZINC000015920332 556068124 /nfs/dbraw/zinc/06/81/24/556068124.db2.gz FDQDNRFJICSDDT-HSZRJFAPSA-N 0 0 476.916 5.244 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920339 556068145 /nfs/dbraw/zinc/06/81/45/556068145.db2.gz AKXXHRRYRVEWJH-VWLOTQADSA-N 0 0 470.525 5.153 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)c2c1 ZINC000015920358 556068202 /nfs/dbraw/zinc/06/82/02/556068202.db2.gz UZQGEZDFIMEELB-HSZRJFAPSA-N 0 0 458.539 5.059 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)c2c1 ZINC000015920368 556068331 /nfs/dbraw/zinc/06/83/31/556068331.db2.gz JTPAZKBVFARDNQ-HSZRJFAPSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccn3)c2c1 ZINC000015920450 556068735 /nfs/dbraw/zinc/06/87/35/556068735.db2.gz IHGSFKXNCMAQRS-XMMPIXPASA-N 0 0 487.943 5.046 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000012660015 556100796 /nfs/dbraw/zinc/10/07/96/556100796.db2.gz XUDTWJGGQFHXCR-PJIYADTDSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN N#Cc1c(NC(=O)/C=C\c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)sc2c1CCC2 ZINC000012844326 556117117 /nfs/dbraw/zinc/11/71/17/556117117.db2.gz BTQSSSVZYIRQPG-FPLPWBNLSA-N 0 0 476.470 5.369 40 30 JKEBRN COC(=O)[C@@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000016189627 556128676 /nfs/dbraw/zinc/12/86/76/556128676.db2.gz JLWPHRZIVVZZJI-IZLXSDGUSA-N 0 0 468.984 6.572 40 30 JKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)o1 ZINC000016283276 556132842 /nfs/dbraw/zinc/13/28/42/556132842.db2.gz RUKZMHOAIZVINR-NTFVMDSBSA-N 0 0 491.613 6.917 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000016610616 556146351 /nfs/dbraw/zinc/14/63/51/556146351.db2.gz QSKGIYXYULYGAZ-FYDYWCEBSA-N 0 0 463.375 7.535 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)c1 ZINC000016671697 556150084 /nfs/dbraw/zinc/15/00/84/556150084.db2.gz IDBBOAOPSMZBJD-KDSGZEPYSA-N 0 0 473.576 7.223 40 30 JKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1ccccc1 ZINC000016673017 556150284 /nfs/dbraw/zinc/15/02/84/556150284.db2.gz GJIRPFQVTDYBBS-LGJNPRDNSA-N 0 0 468.365 6.782 40 30 JKEBRN COc1cc2ccc(/C(C)=N/N=C(\C)c3ccc4cc(OC)c(OC)cc4c3)cc2cc1OC ZINC000016951649 556183870 /nfs/dbraw/zinc/18/38/70/556183870.db2.gz FAFCNLUBLDFQKJ-YAGSLNJISA-N 0 0 456.542 6.261 40 30 JKEBRN COc1cc2ccc(/C(C)=N/N=C(/C)c3ccc4cc(OC)c(OC)cc4c3)cc2cc1OC ZINC000016951653 556183897 /nfs/dbraw/zinc/18/38/97/556183897.db2.gz FAFCNLUBLDFQKJ-QCOHSWCKSA-N 0 0 456.542 6.261 40 30 JKEBRN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)c(OC(=O)c2ccco2)c1)c1ccco1 ZINC000025501144 556218331 /nfs/dbraw/zinc/21/83/31/556218331.db2.gz DSSXFLZXOLLKAN-AFUMVMLFSA-N 0 0 473.466 5.367 40 30 JKEBRN C[C@@H](C/N=C(/CC(=O)c1ccccc1)c1ccccc1)/N=C(/CC(=O)c1ccccc1)c1ccccc1 ZINC000017120114 556218918 /nfs/dbraw/zinc/21/89/18/556218918.db2.gz FUVNZQLHWUMHES-PDAZTNRLSA-N 0 0 486.615 6.900 40 30 JKEBRN CC1(C)N(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1 ZINC000017140156 556224742 /nfs/dbraw/zinc/22/47/42/556224742.db2.gz DZBDYRFRJAFQSJ-RMGTXIJGSA-N 0 0 458.609 6.891 40 30 JKEBRN O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)c1ccc(/N=C\c2ccccc2O)cc1 ZINC000017148927 556227110 /nfs/dbraw/zinc/22/71/10/556227110.db2.gz GDUFOHWZCAUCQK-HJVIKEODSA-N 0 0 456.523 5.432 40 30 JKEBRN O=C1CN(Cc2ccccc2)[C@H](c2cccc3ccccc32)N1/N=C/c1cccc2ccccc12 ZINC000025868938 556237681 /nfs/dbraw/zinc/23/76/81/556237681.db2.gz RFYFVZQEWSAIEX-SQROEYPTSA-N 0 0 455.561 6.370 40 30 JKEBRN C/C(=C(\CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000017290052 556251741 /nfs/dbraw/zinc/25/17/41/556251741.db2.gz SFKNIZGUECBEBR-HFTWOUSFSA-N 0 0 482.605 5.870 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccccc2F)n1 ZINC000026456491 556254075 /nfs/dbraw/zinc/25/40/75/556254075.db2.gz ZHZMUWOYSVLTJJ-CRICUBBOSA-N 0 0 457.505 5.122 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S ZINC000026675854 556258761 /nfs/dbraw/zinc/25/87/61/556258761.db2.gz FTFZXRBKYNMDEC-MOSHPQCFSA-N 0 0 492.018 5.202 40 30 JKEBRN O=C1c2ccccc2-c2c1c(Br)cc(Br)c2/N=C/c1ccc2c(c1)OCO2 ZINC000017423787 556260769 /nfs/dbraw/zinc/26/07/69/556260769.db2.gz PGSDWQXHKOGEIX-PGGKNCGUSA-N 0 0 485.131 5.902 40 30 JKEBRN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000017466341 556261109 /nfs/dbraw/zinc/26/11/09/556261109.db2.gz ZOKNIEUNOSBMEZ-GVAUOCQISA-N 0 0 488.349 6.417 40 30 JKEBRN CCOc1ccc(OCC)c([C@@H]2[C@H](Cc3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 ZINC000017611203 556262707 /nfs/dbraw/zinc/26/27/07/556262707.db2.gz SLWBRDIYALSMGX-LOAGWBBBSA-N 0 0 475.592 6.128 40 30 JKEBRN CC(C)n1c(C=CC(=O)C[C@@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000026892476 556265183 /nfs/dbraw/zinc/26/51/83/556265183.db2.gz IZJOKSSEMQWDSZ-JXVRESAISA-N 0 0 465.565 6.093 40 30 JKEBRN N#Cc1ccc(/C=C(/Cl)c2cccc(/C(Cl)=C/c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000017835379 556268035 /nfs/dbraw/zinc/26/80/35/556268035.db2.gz BKAYJXRACNGPAY-ZCJKAFFOSA-N 0 0 491.290 6.720 40 30 JKEBRN Cc1cc(C)c(N=C2S[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccccc2)c(C)c1 ZINC000027023836 556271882 /nfs/dbraw/zinc/27/18/82/556271882.db2.gz OACMRXHPHOWZKA-XSMVLQQNSA-N 0 0 469.532 7.182 40 30 JKEBRN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N/c1ccccc1OC ZINC000027024505 556272124 /nfs/dbraw/zinc/27/21/24/556272124.db2.gz XIOKABKDARXOTA-BYYHNAKLSA-N 0 0 471.582 5.905 40 30 JKEBRN Cc1ccc(C(=O)/C=C2/Nc3c4ccccc4oc(=O)c3N/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018045008 556279427 /nfs/dbraw/zinc/27/94/27/556279427.db2.gz BDKLWACFUMBWGM-YDZHTSKRSA-N 0 0 479.580 6.073 40 30 JKEBRN C=C1[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000018057152 556281222 /nfs/dbraw/zinc/28/12/22/556281222.db2.gz DMJDTQXVQQUFDX-WMPKNSHKSA-N 0 0 458.606 5.047 40 30 JKEBRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(/N=C\c3ccc(Cl)cc3)cc2)o1 ZINC000018059069 556281226 /nfs/dbraw/zinc/28/12/26/556281226.db2.gz UJHBITNKCOEEKS-WGARJPEWSA-N 0 0 462.962 6.180 40 30 JKEBRN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000018067388 556282693 /nfs/dbraw/zinc/28/26/93/556282693.db2.gz MTHOMJKKJPYPHK-ZQDHAPQSSA-N 0 0 491.584 5.113 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000018145809 556293933 /nfs/dbraw/zinc/29/39/33/556293933.db2.gz AESNTBXXXGZPSO-VWLOTQADSA-N 0 0 493.534 5.983 40 30 JKEBRN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000027563747 556297522 /nfs/dbraw/zinc/29/75/22/556297522.db2.gz FTXAIHFUMHHVCX-SANMLTNESA-N 0 0 486.616 5.821 40 30 JKEBRN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)cc1OC ZINC000027644577 556301625 /nfs/dbraw/zinc/30/16/25/556301625.db2.gz ORKWFFAGHRQRSF-NRFANRHFSA-N 0 0 456.612 5.236 40 30 JKEBRN Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000027838439 556309158 /nfs/dbraw/zinc/30/91/58/556309158.db2.gz AKRZIVNFDCLZLJ-UZWMFBFFSA-N 0 0 454.529 7.695 40 30 JKEBRN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1OC ZINC000018210269 556310894 /nfs/dbraw/zinc/31/08/94/556310894.db2.gz ZCTSHQSVWSTDNY-SIKLNZKXSA-N 0 0 499.493 5.269 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(/N=C\c4ccc(Cl)cc4)cc3)o2)cc1 ZINC000018212697 556311137 /nfs/dbraw/zinc/31/11/37/556311137.db2.gz VTZXGNBSGLBWMT-WGARJPEWSA-N 0 0 462.962 6.180 40 30 JKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182492 556316368 /nfs/dbraw/zinc/31/63/68/556316368.db2.gz UQLSOTOXMRSIOL-VROXFSQNSA-N 0 0 450.321 6.680 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C1=O)cn2C ZINC000028182483 556316409 /nfs/dbraw/zinc/31/64/09/556316409.db2.gz GSNRXPGITHZQKL-ROTLSHHCSA-N 0 0 459.929 6.344 40 30 JKEBRN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1 ZINC000028182463 556316420 /nfs/dbraw/zinc/31/64/20/556316420.db2.gz ZWLUQBPKNFLRHT-ZRGSRPPYSA-N 0 0 469.493 5.169 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4c(F)cccc4Cl)c3C)C2=O)c2ccccc21 ZINC000028182593 556316590 /nfs/dbraw/zinc/31/65/90/556316590.db2.gz ZDPJKYUVEGJHQV-MXAYSNPKSA-N 0 0 461.920 6.957 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(Br)cc4)ccc3C1=O)cn2C ZINC000028182574 556316705 /nfs/dbraw/zinc/31/67/05/556316705.db2.gz LTWZUKPURRJKKG-GATIEOLUSA-N 0 0 490.353 6.145 40 30 JKEBRN Cc1c2c(ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182627 556316832 /nfs/dbraw/zinc/31/68/32/556316832.db2.gz BMYGRNCUGNBEFT-MSXFZWOLSA-N 0 0 464.348 6.989 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182696 556316942 /nfs/dbraw/zinc/31/69/42/556316942.db2.gz KNMJJLHIMFPCNK-VYYCAZPPSA-N 0 0 497.547 5.717 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1C ZINC000028219442 556325500 /nfs/dbraw/zinc/32/55/00/556325500.db2.gz INYXPPRZNCCOTA-CCVNUDIWSA-N 0 0 462.018 7.170 40 30 JKEBRN COC(=O)c1ccccc1/N=C/c1ccc(OCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000028219501 556325686 /nfs/dbraw/zinc/32/56/86/556325686.db2.gz NHXLHTGEWHHUAT-CCVNUDIWSA-N 0 0 492.000 6.340 40 30 JKEBRN Clc1ccccc1/N=C/c1ccc(OCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000028219453 556325691 /nfs/dbraw/zinc/32/56/91/556325691.db2.gz ZINLZOOTZXOATJ-UVHMKAGCSA-N 0 0 468.409 7.207 40 30 JKEBRN CC1(C)Cc2c(C#N)c(N(Cc3ccccc3)Cc3ccccc3)nc(-c3ccccc3)c2CO1 ZINC000019118126 556331278 /nfs/dbraw/zinc/33/12/78/556331278.db2.gz JLUYVUJEMHCELP-UHFFFAOYSA-N 0 0 459.593 6.678 40 30 JKEBRN CCN(CC)P(Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl)(N(CC)CC)=[N+](CC)CC ZINC000019204705 556333902 /nfs/dbraw/zinc/33/39/02/556333902.db2.gz ALKSXZROGBOLQU-UHFFFAOYSA-O 0 0 494.251 7.088 40 30 JKEBRN C=CCNC(=S)n1c2nc(-c3ccccc3)c3n2c(c1-c1ccc(Br)cc1)CCCC3 ZINC000028527076 556334640 /nfs/dbraw/zinc/33/46/40/556334640.db2.gz IDJSJQHQERJCKG-UHFFFAOYSA-N 0 0 491.458 6.020 40 30 JKEBRN COc1ccc([C@H](C#N)N2CCCN([C@H](C#N)c3ccc(OC)cc3)C2c2ccccc2)cc1 ZINC000019325956 556341469 /nfs/dbraw/zinc/34/14/69/556341469.db2.gz LLHIUPLUMASRLW-FITHBNAOSA-N 0 0 452.558 5.240 40 30 JKEBRN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)c(C)c1 ZINC000030823014 556375159 /nfs/dbraw/zinc/37/51/59/556375159.db2.gz IUQZVDNSJZIVCJ-SANMLTNESA-N 0 0 455.558 6.745 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1cccc(F)c1)[C@H]2c1ccc(F)cc1 ZINC000030823041 556375418 /nfs/dbraw/zinc/37/54/18/556375418.db2.gz GIZPMMDILFINGJ-NDEPHWFRSA-N 0 0 487.550 6.220 40 30 JKEBRN c1ccc2c(c1)cccc2CN=Nc1nnc(N=NCc2cccc3ccccc32)c2ccccc21 ZINC000031670023 556401609 /nfs/dbraw/zinc/40/16/09/556401609.db2.gz GQTLVDUTCISNAX-CDSIFPFTSA-N 0 0 466.548 6.828 40 30 JKEBRN CCOc1ccccc1CN=Nc1nnc(N=NCc2ccccc2OCC)c2ccccc21 ZINC000031669975 556401624 /nfs/dbraw/zinc/40/16/24/556401624.db2.gz DHLMCOWSYCMFJH-HJVIKEODSA-N 0 0 454.534 5.319 40 30 JKEBRN COc1cc(/C=C2/C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)CC[C@H]2C)cc(OC)c1OC ZINC000031894570 556409308 /nfs/dbraw/zinc/40/93/08/556409308.db2.gz NISOQKGHYYAZDL-VCUSOXRVSA-N 0 0 468.546 5.204 40 30 JKEBRN Cc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000032114541 556421043 /nfs/dbraw/zinc/42/10/43/556421043.db2.gz ZGBGVYBALUKFSH-LGJNPRDNSA-N 0 0 463.331 6.521 40 30 JKEBRN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 ZINC000032114614 556421341 /nfs/dbraw/zinc/42/13/41/556421341.db2.gz VWTUSWLQRZDCKX-CVKSISIWSA-N 0 0 451.364 6.091 40 30 JKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1OC ZINC000032114994 556421946 /nfs/dbraw/zinc/42/19/46/556421946.db2.gz ZQOSCCMPTYEMAH-OGLMXYFKSA-N 0 0 450.966 6.524 40 30 JKEBRN Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115226 556422196 /nfs/dbraw/zinc/42/21/96/556422196.db2.gz WGXTYSQDRCACBN-JQAMDZJQSA-N 0 0 477.692 6.954 40 30 JKEBRN N#Cc1c2c(sc1/N=C/c1ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CCCC2 ZINC000032116848 556425433 /nfs/dbraw/zinc/42/54/33/556425433.db2.gz WEOIZPSSHSZDCO-DHRITJCHSA-N 0 0 453.976 6.962 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)CCCC3 ZINC000032116828 556425439 /nfs/dbraw/zinc/42/54/39/556425439.db2.gz NDQZXSUDKHCNNL-ZRGSRPPYSA-N 0 0 497.001 5.932 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)sc2c1C1CCN2CC1 ZINC000032124776 556427827 /nfs/dbraw/zinc/42/78/27/556427827.db2.gz DEYDPEHWYWFCTH-LGJNPRDNSA-N 0 0 481.002 6.781 40 30 JKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(c1ccccc1)C(C)C ZINC000032604119 556450080 /nfs/dbraw/zinc/45/00/80/556450080.db2.gz UIQHOPZGTSYGPR-UHFFFAOYSA-N 0 0 456.999 5.230 40 30 JKEBRN C=C(C)[C@@H]1CC[C@@]2(COC(C)=O)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 ZINC000253501179 560037895 /nfs/dbraw/zinc/03/78/95/560037895.db2.gz KONAXQKGWYDUTG-CJNOQCJXSA-N 0 0 482.749 7.776 40 30 biogenic,in-vitro JKEBRN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C(N)=O)sc(=S)n3-c3ccccc3)o2)cc1 ZINC000054362781 569590153 /nfs/dbraw/zinc/59/01/53/569590153.db2.gz QBJCCBGFXFXHNY-UHFFFAOYSA-N 0 0 483.600 5.106 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N ZINC000008686661 569593002 /nfs/dbraw/zinc/59/30/02/569593002.db2.gz BJZOVPLVGKMJJW-QPTUXGOLSA-N 0 0 467.708 5.736 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2C1 ZINC000057335639 569599095 /nfs/dbraw/zinc/59/90/95/569599095.db2.gz KWCCGYVANMSMRR-AWEZNQCLSA-N 0 0 475.452 6.329 40 30 JKEBRN CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059109156 569602345 /nfs/dbraw/zinc/60/23/45/569602345.db2.gz GUEUJDNOXGDDOP-OGLMXYFKSA-N 0 0 486.528 5.121 40 30 JKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc1-c1ccccc1 ZINC000059193883 569602359 /nfs/dbraw/zinc/60/23/59/569602359.db2.gz SGZGUHSOCBMCCK-MFKUBSTISA-N 0 0 458.499 5.692 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1O ZINC000059198942 569602363 /nfs/dbraw/zinc/60/23/63/569602363.db2.gz MQCRWUKPJUPBFS-DHRITJCHSA-N 0 0 485.403 6.107 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000059193877 569602388 /nfs/dbraw/zinc/60/23/88/569602388.db2.gz WKQNKMLOSXXOSU-CVKSISIWSA-N 0 0 488.525 5.701 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059193874 569602392 /nfs/dbraw/zinc/60/23/92/569602392.db2.gz RKQMUQZNEZLNMU-JFLMPSFJSA-N 0 0 477.973 6.446 40 30 JKEBRN Cc1sc(N=NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)nc1-c1ccccc1 ZINC000059193887 569602408 /nfs/dbraw/zinc/60/24/08/569602408.db2.gz VNLWOWVWCHAEEN-PCLIKHOPSA-N 0 0 463.584 5.641 40 30 JKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059302181 569602791 /nfs/dbraw/zinc/60/27/91/569602791.db2.gz LPKSWPNPMOYZAY-UXHLAJHPSA-N 0 0 482.653 7.041 40 30 JKEBRN COC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 ZINC000059302125 569602812 /nfs/dbraw/zinc/60/28/12/569602812.db2.gz TZSRPJGQSZSICP-FOKLQQMPSA-N 0 0 464.768 6.692 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1 ZINC000059418053 569602936 /nfs/dbraw/zinc/60/29/36/569602936.db2.gz ZTYZBHYQZUVJQV-DEDYPNTBSA-N 0 0 452.919 5.668 40 30 JKEBRN Fc1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000059418346 569603232 /nfs/dbraw/zinc/60/32/32/569603232.db2.gz YKMXXMZQRMOEBJ-NDZAJKAJSA-N 0 0 497.578 5.770 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3ccc(OC)cc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059425593 569603456 /nfs/dbraw/zinc/60/34/56/569603456.db2.gz ZDLQJBDYMHDQBA-CVKSISIWSA-N 0 0 475.526 6.162 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S/C1=N\c1ccccc1 ZINC000059426432 569603504 /nfs/dbraw/zinc/60/35/04/569603504.db2.gz RVRGXVVJMPMPND-RVOSABIYSA-N 0 0 455.366 7.043 40 30 JKEBRN CC(=O)c1cccc(N=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 ZINC000059427607 569603581 /nfs/dbraw/zinc/60/35/81/569603581.db2.gz NLBSQERHJMCNAW-RUMWWMSVSA-N 0 0 485.543 7.673 40 30 JKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Cl)cc(I)c3O)S2)c1 ZINC000059426849 569603615 /nfs/dbraw/zinc/60/36/15/569603615.db2.gz BAMOUBZSKMPYQW-CHHVJCJISA-N 0 0 484.746 5.159 40 30 JKEBRN COC(=O)c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000059427462 569603673 /nfs/dbraw/zinc/60/36/73/569603673.db2.gz CCPHWRMDWADCDQ-QNKGDIEWSA-N 0 0 490.990 8.002 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)CCCC3 ZINC000059433755 569603739 /nfs/dbraw/zinc/60/37/39/569603739.db2.gz AVWDXCGZMSNXKX-KVSWJAHQSA-N 0 0 484.408 6.105 40 30 JKEBRN COc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c(OC)c1 ZINC000059435474 569603801 /nfs/dbraw/zinc/60/38/01/569603801.db2.gz VGXASTPWJQCIQI-CUVDRZIWSA-N 0 0 463.965 5.124 40 30 JKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)cc1 ZINC000059459182 569604066 /nfs/dbraw/zinc/60/40/66/569604066.db2.gz OOGSBERWNLOIEE-VULFUBBASA-N 0 0 461.612 6.607 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1 ZINC000059461303 569604194 /nfs/dbraw/zinc/60/41/94/569604194.db2.gz CSNKNKPTVKXLOW-LGJNPRDNSA-N 0 0 490.610 6.611 40 30 JKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000059461271 569604201 /nfs/dbraw/zinc/60/42/01/569604201.db2.gz YFLRCGWLCFTHIY-KIBLKLHPSA-N 0 0 479.841 8.005 40 30 JKEBRN COc1ccc(/C=C/C(=O)ON=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC ZINC000059461413 569604246 /nfs/dbraw/zinc/60/42/46/569604246.db2.gz WTKQJAGYYCDRIH-LNKIKWGQSA-N 0 0 456.325 6.020 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc(Br)c3)nc2-c2ccccc2)cc1 ZINC000059463661 569604316 /nfs/dbraw/zinc/60/43/16/569604316.db2.gz VXVZMVVEBQYVHR-ZVHZXABRSA-N 0 0 464.344 6.898 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc(Br)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463721 569604334 /nfs/dbraw/zinc/60/43/34/569604334.db2.gz URVILOVYZDGOLT-DHRITJCHSA-N 0 0 498.789 7.552 40 30 JKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000059463704 569604345 /nfs/dbraw/zinc/60/43/45/569604345.db2.gz IBRNSQQBLDNNSV-CVKSISIWSA-N 0 0 459.527 6.462 40 30 JKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O ZINC000059463796 569604414 /nfs/dbraw/zinc/60/44/14/569604414.db2.gz AMIWAOKAUVUMII-VULFUBBASA-N 0 0 459.527 6.467 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474790 569604497 /nfs/dbraw/zinc/60/44/97/569604497.db2.gz KGDUDPMYBAOZFC-WYMPLXKRSA-N 0 0 466.519 5.825 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474814 569604512 /nfs/dbraw/zinc/60/45/12/569604512.db2.gz NAGQIIZPPBVJSP-WYMPLXKRSA-N 0 0 482.974 6.339 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1)NC[C@H]1CCCO1 ZINC000059474830 569604569 /nfs/dbraw/zinc/60/45/69/569604569.db2.gz QFEQGYYVYLEFIQ-WGFYCLKKSA-N 0 0 477.611 5.293 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OCc1ccccc1 ZINC000059475125 569604652 /nfs/dbraw/zinc/60/46/52/569604652.db2.gz VJIHJALWQKZGTR-AJBULDERSA-N 0 0 491.616 7.511 40 30 JKEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000059478003 569604837 /nfs/dbraw/zinc/60/48/37/569604837.db2.gz ARMNSIPNSOMHFU-SGWCAAJKSA-N 0 0 478.961 5.120 40 30 JKEBRN O=C(Oc1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000059483122 569604894 /nfs/dbraw/zinc/60/48/94/569604894.db2.gz PPFGKUCNOWQFHG-ZCTHSVRISA-N 0 0 477.951 7.163 40 30 JKEBRN Clc1ccc(/C=N/c2ccc3nc(SC(c4ccccc4)c4ccccc4)sc3c2)cc1 ZINC000059483360 569604984 /nfs/dbraw/zinc/60/49/84/569604984.db2.gz HVLVYXVZLHYPGG-RDRPBHBLSA-N 0 0 471.050 8.582 40 30 JKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000059484274 569605097 /nfs/dbraw/zinc/60/50/97/569605097.db2.gz IPKOVTPOVQBHPT-MFKUBSTISA-N 0 0 460.515 5.849 40 30 JKEBRN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1N1CCCCC1 ZINC000059489814 569605831 /nfs/dbraw/zinc/60/58/31/569605831.db2.gz YASTWBOSFJZWFG-WPWMEQJKSA-N 0 0 471.667 5.436 40 30 JKEBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/n1c(C)nnc1SCc1ccccc1 ZINC000059489971 569605957 /nfs/dbraw/zinc/60/59/57/569605957.db2.gz BHBVRXHGJVHXTK-HUXSYLCKSA-N 0 0 464.595 5.438 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500244 569606153 /nfs/dbraw/zinc/60/61/53/569606153.db2.gz LMJSTLBZSICEPJ-MWAVMZGNSA-N 0 0 493.588 6.366 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 ZINC000059506165 569606360 /nfs/dbraw/zinc/60/63/60/569606360.db2.gz OHQUVXOAYGSEAL-KDSGZEPYSA-N 0 0 473.576 7.223 40 30 JKEBRN O=C1/C(=N\c2ccc(-c3ccccc3)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000059520260 569606478 /nfs/dbraw/zinc/60/64/78/569606478.db2.gz PMTXIUAPTDQCIW-BXVZCJGGSA-N 0 0 457.360 7.328 40 30 JKEBRN CCOC(=O)COc1cc(Br)c(/C=C2\Sc3ccccc3C2=O)cc1OCC ZINC000059596644 569607007 /nfs/dbraw/zinc/60/70/07/569607007.db2.gz PWLCLESGNJXSTJ-GRSHGNNSSA-N 0 0 463.349 5.119 40 30 JKEBRN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(Cl)c4Cl)NC3=O)c2C)cc1 ZINC000059566958 569607053 /nfs/dbraw/zinc/60/70/53/569607053.db2.gz SZICPQJWAZIXOP-MTJSOVHGSA-N 0 0 499.423 6.251 40 30 JKEBRN Cc1cccc(Nc2nc(N=NCc3cc(Cl)ccc3O)nc(N3CCC(C)CC3)n2)c1C ZINC000059596822 569607056 /nfs/dbraw/zinc/60/70/56/569607056.db2.gz PTKNDEMMXXGYOD-VULFUBBASA-N 0 0 465.989 5.273 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000059566955 569607082 /nfs/dbraw/zinc/60/70/82/569607082.db2.gz SJOSCMOVRIWJME-UCQKPKSFSA-N 0 0 492.431 7.446 40 30 JKEBRN CCCCCCCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000059608685 569607163 /nfs/dbraw/zinc/60/71/63/569607163.db2.gz ZNIQELREVQTRDB-PXLXIMEGSA-N 0 0 450.619 7.808 40 30 JKEBRN Clc1ccc(Sc2oc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2Br)cc1 ZINC000059678570 569607449 /nfs/dbraw/zinc/60/74/49/569607449.db2.gz GXXXGVBQEVCKAQ-CVKSISIWSA-N 0 0 483.818 8.341 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720457 569607522 /nfs/dbraw/zinc/60/75/22/569607522.db2.gz RBXCNJJAYWGRNS-HRXXRIAWSA-N 0 0 485.480 8.209 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720541 569607525 /nfs/dbraw/zinc/60/75/25/569607525.db2.gz PQAIBQXERYKRPD-IXORVSQSSA-N 0 0 457.064 7.617 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720528 569607532 /nfs/dbraw/zinc/60/75/32/569607532.db2.gz DVJFEQNGNHQFAN-HVAQTUQNSA-N 0 0 496.032 7.464 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720532 569607573 /nfs/dbraw/zinc/60/75/73/569607573.db2.gz KZSZIKCPLWGLGK-HVAQTUQNSA-N 0 0 496.032 7.464 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1c(O)ccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000059959560 569608214 /nfs/dbraw/zinc/60/82/14/569608214.db2.gz XEQYFPTVDZCLAG-CZECRJHMSA-N 0 0 480.524 5.221 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Br)cc1 ZINC000033703545 569631192 /nfs/dbraw/zinc/63/11/92/569631192.db2.gz FVPQLBPOMZKLLK-UHFFFAOYSA-N 0 0 460.397 5.415 40 30 JKEBRN O=C(CO/N=C\c1cc(Br)ccc1OCc1ccccc1F)Nc1ccc(Cl)cc1 ZINC000033405075 569625853 /nfs/dbraw/zinc/62/58/53/569625853.db2.gz FLLGRGZUNHLGSM-ZRGSRPPYSA-N 0 0 491.744 5.810 40 30 JKEBRN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000033401257 569625905 /nfs/dbraw/zinc/62/59/05/569625905.db2.gz FLIWRLWCPAQUDW-UHFFFAOYSA-N 0 0 492.428 5.766 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000033407518 569625987 /nfs/dbraw/zinc/62/59/87/569625987.db2.gz QRJYVDOWYSJQGT-HNNXBMFYSA-N 0 0 461.418 5.863 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)ccc3OCC(N)=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033445212 569626336 /nfs/dbraw/zinc/62/63/36/569626336.db2.gz KSIZTBRBRJLMRQ-XNLNZBGWSA-N 0 0 492.000 5.630 40 30 JKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000033530029 569627384 /nfs/dbraw/zinc/62/73/84/569627384.db2.gz MDVHKRPKGZOTKD-KKMKTNMSSA-N 0 0 479.842 6.301 40 30 JKEBRN CCn1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)c2ccccc21 ZINC000033561113 569627960 /nfs/dbraw/zinc/62/79/60/569627960.db2.gz UPAYAWVQNCXDMY-KCSSXMTESA-N 0 0 475.548 7.228 40 30 JKEBRN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033603240 569628690 /nfs/dbraw/zinc/62/86/90/569628690.db2.gz QTQHQXSBFCJACU-OAHLLOKOSA-N 0 0 452.967 5.500 40 30 JKEBRN O=C(CO/N=C\c1c(OCc2ccccc2F)ccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000033643731 569629451 /nfs/dbraw/zinc/62/94/51/569629451.db2.gz CPQLPQWOLDUDKH-FDVSRXAVSA-N 0 0 462.908 6.201 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000033684591 569630638 /nfs/dbraw/zinc/63/06/38/569630638.db2.gz YYZZVTFYRPRCPI-LQNQUEJISA-N 0 0 488.971 6.460 40 30 JKEBRN Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000033714506 569631411 /nfs/dbraw/zinc/63/14/11/569631411.db2.gz HBOVPSYMPYJZPY-MWLSYYOVSA-N 0 0 458.945 6.370 40 30 JKEBRN CCCOc1cc(Br)c(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000033712130 569631461 /nfs/dbraw/zinc/63/14/61/569631461.db2.gz DKCHDUKQVBVGGC-UHFFFAOYSA-N 0 0 475.379 5.765 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000033720595 569631907 /nfs/dbraw/zinc/63/19/07/569631907.db2.gz VSSMKKOMOVQVLJ-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000033725594 569632190 /nfs/dbraw/zinc/63/21/90/569632190.db2.gz IMPJYOHOUSTAIV-LIMNOBDPSA-N 0 0 451.206 5.697 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000033736786 569632774 /nfs/dbraw/zinc/63/27/74/569632774.db2.gz YMYNIBWLDGIFPT-LSFURLLWSA-N 0 0 461.212 5.153 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000033736549 569632799 /nfs/dbraw/zinc/63/27/99/569632799.db2.gz ADRZRTLEYILJOS-UHFFFAOYSA-N 0 0 460.962 5.183 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000033740262 569633095 /nfs/dbraw/zinc/63/30/95/569633095.db2.gz XBHPYYVFAVNLAR-NRFANRHFSA-N 0 0 489.472 6.499 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000033740261 569633109 /nfs/dbraw/zinc/63/31/09/569633109.db2.gz XBHPYYVFAVNLAR-OAQYLSRUSA-N 0 0 489.472 6.499 40 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ZINC000033859898 569636345 /nfs/dbraw/zinc/63/63/45/569636345.db2.gz ZOBCEFVYZQOEHN-KODCORDWSA-N 0 0 453.011 5.076 40 30 JKEBRN O=C1/C(=C/c2cc(Br)ccc2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033869797 569636755 /nfs/dbraw/zinc/63/67/55/569636755.db2.gz TWVDTQQZUKKHOT-NJMAKWBESA-N 0 0 451.345 5.963 40 30 JKEBRN COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000033909061 569637341 /nfs/dbraw/zinc/63/73/41/569637341.db2.gz LHAFJPYJKZCATN-YVADOFBFSA-N 0 0 465.372 6.266 40 30 JKEBRN COc1c2c(cc3c1[C@@H](CC(=O)/C=C\C=C(/C)CCC1=C(C)CCCC1(C)C)N(C)CC3)OCO2 ZINC000033916354 569637393 /nfs/dbraw/zinc/63/73/93/569637393.db2.gz MURVJQSDIIPTEC-DKVHUUKJSA-N 0 0 479.661 6.721 40 30 JKEBRN O=C1/C(=C/c2ccccc2)CC[C@]12C[C@H]1CCC[C@H](C3=CCCCC3)[C@]1(O)O[C@@H]2c1ccccc1 ZINC000033937846 569639107 /nfs/dbraw/zinc/63/91/07/569639107.db2.gz XZZPIAIYKCQMDS-UUANUVQQSA-N 0 0 468.637 7.186 40 30 JKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)c(F)c(F)c(F)c1F ZINC000033957394 569639466 /nfs/dbraw/zinc/63/94/66/569639466.db2.gz MZASFPZPUCODOP-JLSWWUBCSA-N 0 0 462.462 6.419 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000034704808 569649465 /nfs/dbraw/zinc/64/94/65/569649465.db2.gz QSGOUCVXVVJXDB-ZDUSSCGKSA-N 0 0 481.836 6.208 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)o2)cc1 ZINC000034706087 569649598 /nfs/dbraw/zinc/64/95/98/569649598.db2.gz UERJMSKIYDZTOY-BRHJTBNZSA-N 0 0 480.699 7.677 40 30 JKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000034721470 569652545 /nfs/dbraw/zinc/65/25/45/569652545.db2.gz LXBGFPPDMMMFGM-YBQHNUSLSA-N 0 0 457.574 6.543 40 30 JKEBRN CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\C4CCCCC4)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000034738026 569654684 /nfs/dbraw/zinc/65/46/84/569654684.db2.gz LJOPJMGFKDAGAV-BBQFQXQASA-N 0 0 489.729 7.594 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000034794316 569660789 /nfs/dbraw/zinc/66/07/89/569660789.db2.gz WPJUMLQBOHAPJC-VYYCAZPPSA-N 0 0 456.901 5.446 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000034890299 569669299 /nfs/dbraw/zinc/66/92/99/569669299.db2.gz JOUIPCWYBZILDF-AWEZNQCLSA-N 0 0 487.050 6.205 40 30 JKEBRN CC(=O)O[C@@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@H]1O2 ZINC000034911180 569671548 /nfs/dbraw/zinc/67/15/48/569671548.db2.gz FXSMCIIJTCSGGX-KHHOQVBISA-N 0 0 458.727 7.766 40 30 JKEBRN CCCOc1cc(Br)c(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000035045343 569673970 /nfs/dbraw/zinc/67/39/70/569673970.db2.gz QOGBRCRURAJFIN-UHFFFAOYSA-N 0 0 474.395 5.338 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000035078131 569674365 /nfs/dbraw/zinc/67/43/65/569674365.db2.gz CUYLECJUSNAVET-NDENLUEZSA-N 0 0 470.367 5.887 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000035084621 569674476 /nfs/dbraw/zinc/67/44/76/569674476.db2.gz RFJMGFLPXIEVHD-DICXZTSXSA-N 0 0 452.938 5.615 40 30 JKEBRN N#Cc1ccc(Oc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)c2)cc1C#N ZINC000035140482 569675650 /nfs/dbraw/zinc/67/56/50/569675650.db2.gz COTCPMLPZOIYMR-MUUNZHRXSA-N 0 0 492.918 6.657 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000035147146 569675738 /nfs/dbraw/zinc/67/57/38/569675738.db2.gz MJYGZSQDFCOMDR-RUZDIDTESA-N 0 0 491.971 5.487 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000035147225 569676044 /nfs/dbraw/zinc/67/60/44/569676044.db2.gz SQKLSYOVJOOTOH-OAJCAZATSA-N 0 0 487.527 5.064 40 30 JKEBRN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 ZINC000035147538 569676152 /nfs/dbraw/zinc/67/61/52/569676152.db2.gz YQNOAUMOVIBNLJ-SANMLTNESA-N 0 0 482.536 5.093 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccccc3)c2c1 ZINC000035163947 569676399 /nfs/dbraw/zinc/67/63/99/569676399.db2.gz CFIIYHPLZLGKEA-SANMLTNESA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035164075 569676408 /nfs/dbraw/zinc/67/64/08/569676408.db2.gz PMNVDPFJAXSWJW-IUUBXHLCSA-N 0 0 496.538 5.536 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000035164139 569676458 /nfs/dbraw/zinc/67/64/58/569676458.db2.gz RZBGDORFCOQCPF-AREMUKBSSA-N 0 0 484.552 5.714 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccccc3F)c2c1 ZINC000035164304 569676539 /nfs/dbraw/zinc/67/65/39/569676539.db2.gz HFKFQDRKLWPASS-MHZLTWQESA-N 0 0 484.527 5.066 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)Cc3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164306 569676560 /nfs/dbraw/zinc/67/65/60/569676560.db2.gz UZQBLUAPEJPUAO-GDLZYMKVSA-N 0 0 494.591 5.489 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035164887 569676751 /nfs/dbraw/zinc/67/67/51/569676751.db2.gz MMQSDJIOGAFFGB-RUZDIDTESA-N 0 0 470.500 5.137 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164902 569676769 /nfs/dbraw/zinc/67/67/69/569676769.db2.gz KJNQTMVAYCTPHD-MHZLTWQESA-N 0 0 480.564 5.560 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000035164907 569676801 /nfs/dbraw/zinc/67/68/01/569676801.db2.gz RXMZHOMAKRQSMC-NDEPHWFRSA-N 0 0 494.591 6.121 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000035164858 569676810 /nfs/dbraw/zinc/67/68/10/569676810.db2.gz CXAONEAFPABVMA-AREMUKBSSA-N 0 0 482.536 5.006 40 30 JKEBRN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164943 569676829 /nfs/dbraw/zinc/67/68/29/569676829.db2.gz OGIVTXGSSRUWRV-HHHXNRCGSA-N 0 0 496.563 5.396 40 30 JKEBRN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164964 569676844 /nfs/dbraw/zinc/67/68/44/569676844.db2.gz ACGYEVGZOZIDJU-HHHXNRCGSA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164966 569676867 /nfs/dbraw/zinc/67/68/67/569676867.db2.gz ACGYEVGZOZIDJU-MHZLTWQESA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035165076 569676908 /nfs/dbraw/zinc/67/69/08/569676908.db2.gz ZOHZVSXSVWPHCQ-SANMLTNESA-N 0 0 484.527 5.445 40 30 JKEBRN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccccc2)cc1 ZINC000035165281 569676929 /nfs/dbraw/zinc/67/69/29/569676929.db2.gz VHIPXYMYYHJENG-AREMUKBSSA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccs3)c2c1 ZINC000035165059 569676986 /nfs/dbraw/zinc/67/69/86/569676986.db2.gz AYAYADUMBAJTHG-DEOSSOPVSA-N 0 0 472.566 5.367 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035165115 569677002 /nfs/dbraw/zinc/67/70/02/569677002.db2.gz HXEPDWMHINKSPA-RUZDIDTESA-N 0 0 488.490 5.276 40 30 JKEBRN O=C(CO/N=C\c1ccccc1OCc1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000035213008 569678364 /nfs/dbraw/zinc/67/83/64/569678364.db2.gz SEVMUEIKXXTNNI-MXAYSNPKSA-N 0 0 473.754 5.671 40 30 JKEBRN Cc1ccc(NC(=O)CO/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000035242839 569678858 /nfs/dbraw/zinc/67/88/58/569678858.db2.gz NTMLJDMPDDNJCC-ZMFRSBBQSA-N 0 0 471.326 5.465 40 30 JKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000035351742 569681753 /nfs/dbraw/zinc/68/17/53/569681753.db2.gz YNHHVVARXYMLCL-BDOZFWBASA-N 0 0 456.567 5.976 40 30 JKEBRN C=C(C)[C@@H]1CCC=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]21 ZINC000035361965 569682291 /nfs/dbraw/zinc/68/22/91/569682291.db2.gz GPGLZMVBKWLKIY-YAXUOYDTSA-N 0 0 466.750 8.516 40 30 JKEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000035386584 569686933 /nfs/dbraw/zinc/68/69/33/569686933.db2.gz QMDNWZYHZKAAPC-WPWMEQJKSA-N 0 0 460.555 5.048 40 30 JKEBRN CCCCCCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCCCCCC ZINC000068562484 569691250 /nfs/dbraw/zinc/69/12/50/569691250.db2.gz XDQOYCJMMFRBQS-CLJLJLNGSA-N 0 0 486.734 6.636 40 30 JKEBRN C(=N/c1ccc(Oc2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1cc2ccccc2[nH]1 ZINC000068602868 569691317 /nfs/dbraw/zinc/69/13/17/569691317.db2.gz XOKZHXBNHWDEEQ-DHGXDVEKSA-N 0 0 454.533 7.943 40 30 JKEBRN O=C(Oc1c(OC(F)(F)C(F)(F)F)cccc1OC(F)(F)C(F)(F)F)c1ccccc1 ZINC000068590885 569691359 /nfs/dbraw/zinc/69/13/59/569691359.db2.gz VIWMSYYWASUGAW-UHFFFAOYSA-N 0 0 466.227 5.974 40 30 JKEBRN O=C1Nc2ccccc2/C1=N/c1cccc(Cc2cccc(/N=C3/c4ccccc4NC3=O)c2)c1 ZINC000068602782 569691383 /nfs/dbraw/zinc/69/13/83/569691383.db2.gz VKQVGCBCGJPFMV-UHFFFAOYSA-N 0 0 456.505 5.423 40 30 JKEBRN CCOC(=O)c1c2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2sc1Nc1ccc(OC)cc1 ZINC000068602603 569691404 /nfs/dbraw/zinc/69/14/04/569691404.db2.gz CRUQULIAWQZOCA-UHFFFAOYSA-N 0 0 478.961 5.999 40 30 JKEBRN O=C(/C=C/c1ccc(OCCOc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1)c1ccccc1 ZINC000068592012 569691422 /nfs/dbraw/zinc/69/14/22/569691422.db2.gz AQPZRWUYAYIVFJ-VOKWCDJLSA-N 0 0 474.556 6.937 40 30 JKEBRN FC(F)(F)C(F)(F)Oc1ccc(OC(F)(F)C(F)(F)F)c(OC(F)(F)C(F)(F)F)c1 ZINC000068590872 569691424 /nfs/dbraw/zinc/69/14/24/569691424.db2.gz BLPQKSOEIIAETB-UHFFFAOYSA-N 0 0 480.123 6.288 40 30 JKEBRN O=C(/C=C\c1ccc(OCCOc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1)c1ccccc1 ZINC000068592002 569691431 /nfs/dbraw/zinc/69/14/31/569691431.db2.gz AQPZRWUYAYIVFJ-JZTLMNBPSA-N 0 0 474.556 6.937 40 30 JKEBRN CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000070691749 569695797 /nfs/dbraw/zinc/69/57/97/569695797.db2.gz CZWQTXLSOGRWOU-SOUMSPRUSA-N 0 0 470.650 5.464 40 30 biogenic JKEBRN CC(C)n1c(C=CC(=O)C[C@@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 ZINC000071615101 569697185 /nfs/dbraw/zinc/69/71/85/569697185.db2.gz IZJOKSSEMQWDSZ-KSAKKHMLSA-N 0 0 465.565 6.093 40 30 JKEBRN 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/nfs/dbraw/zinc/70/08/72/569700872.db2.gz NOOGPLVCFHRARA-VULFUBBASA-N 0 0 476.433 5.763 40 30 JKEBRN O=[N+]([O-])c1c(/C=N/c2ccccc2)oc(-c2cccc([N+](=O)[O-])c2)c1-c1cccc([N+](=O)[O-])c1 ZINC000073314368 569704355 /nfs/dbraw/zinc/70/43/55/569704355.db2.gz PWDOPJADXPHLAH-ZVHZXABRSA-N 0 0 458.386 6.089 40 30 JKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000035645335 569705764 /nfs/dbraw/zinc/70/57/64/569705764.db2.gz XZCULNJAUDFHDV-FYJGNVAPSA-N 0 0 455.366 6.464 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1Cl ZINC000035645508 569705891 /nfs/dbraw/zinc/70/58/91/569705891.db2.gz QDHOFHAIUXHLCI-LPYMAVHISA-N 0 0 468.937 5.958 40 30 JKEBRN CCOc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000078549567 569706295 /nfs/dbraw/zinc/70/62/95/569706295.db2.gz XJPIALRFFUIULI-PMERELPUSA-N 0 0 488.587 6.731 40 30 JKEBRN FC(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)F ZINC000080584957 569707855 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569778990 /nfs/dbraw/zinc/77/89/90/569778990.db2.gz GXJBDVKJQOBCKQ-NRFANRHFSA-N 0 0 485.997 6.666 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000101007518 569778995 /nfs/dbraw/zinc/77/89/95/569778995.db2.gz PEHBOYUSYAOZBT-AREMUKBSSA-N 0 0 490.673 7.426 40 30 JKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000101007516 569779001 /nfs/dbraw/zinc/77/90/01/569779001.db2.gz PEHBOYUSYAOZBT-SANMLTNESA-N 0 0 490.673 7.426 40 30 JKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000101011261 569779119 /nfs/dbraw/zinc/77/91/19/569779119.db2.gz LOMDUGFEWJLNOE-PLRJNAJWSA-N 0 0 483.699 7.403 40 30 JKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1OC ZINC000101011256 569779141 /nfs/dbraw/zinc/77/91/41/569779141.db2.gz RNKNGGKHRAWSGO-PLRJNAJWSA-N 0 0 483.699 7.403 40 30 JKEBRN CCCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(Cl)cc4)nc3C#N)CC2)cc1 ZINC000036628689 569779160 /nfs/dbraw/zinc/77/91/60/569779160.db2.gz JZHIUMJMEKIXJW-AWNIVKPZSA-N 0 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O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)/C(=N/Nc2ccccc2[N+](=O)[O-])S1 ZINC000036633748 569779532 /nfs/dbraw/zinc/77/95/32/569779532.db2.gz QBKGHKXMVYOAHH-SDZWUPGVSA-N 0 0 486.513 5.142 40 30 JKEBRN CCCCCCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101025339 569779772 /nfs/dbraw/zinc/77/97/72/569779772.db2.gz RLCGFGLESMXZQU-ULNSLHSMSA-N 0 0 498.623 6.477 40 30 JKEBRN Oc1ccc(/C=N\N=c2\scc(-c3ccc(Cl)cc3Cl)n2CCc2ccccc2)cc1 ZINC000101024813 569779807 /nfs/dbraw/zinc/77/98/07/569779807.db2.gz CCXXNKAYUPQLRM-NTOKKKJKSA-N 0 0 468.409 6.407 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000101191478 569786620 /nfs/dbraw/zinc/78/66/20/569786620.db2.gz CXPOSUMCSFXZJD-UHFFFAOYSA-N 0 0 454.939 5.270 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000101192023 569786687 /nfs/dbraw/zinc/78/66/87/569786687.db2.gz LDRGHSVZOBUKOC-UHFFFAOYSA-N 0 0 459.358 5.915 40 30 JKEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308202 569791133 /nfs/dbraw/zinc/79/11/33/569791133.db2.gz VAGFRBUJGBKBSG-JARLTICPSA-N 0 0 493.050 5.088 40 30 JKEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308205 569791194 /nfs/dbraw/zinc/79/11/94/569791194.db2.gz VAGFRBUJGBKBSG-OQANTQSMSA-N 0 0 493.050 5.088 40 30 JKEBRN CCCCCCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O ZINC000101462153 569798513 /nfs/dbraw/zinc/79/85/13/569798513.db2.gz RPFTYIAJQPWPNJ-LJQANCHMSA-N 0 0 465.642 5.052 40 30 JKEBRN CCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc3c(c2)C(=O)CC3)C1=O ZINC000101464244 569798591 /nfs/dbraw/zinc/79/85/91/569798591.db2.gz VQOUNYCWPUTTQL-XMMPIXPASA-N 0 0 453.667 7.566 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccccc1F ZINC000101482945 569799292 /nfs/dbraw/zinc/79/92/92/569799292.db2.gz DFOODNLFFRXDGK-JTNUTMTLSA-N 0 0 479.371 5.098 40 30 JKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(I)cc2)C(=O)N1CC ZINC000101484390 569799402 /nfs/dbraw/zinc/79/94/02/569799402.db2.gz GULXIFXCWFIYBJ-TZIVZOBOSA-N 0 0 492.382 5.182 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Br)c1[O-] ZINC000038160410 569799566 /nfs/dbraw/zinc/79/95/66/569799566.db2.gz KGACLERIPOCFMZ-CGOBSMCZSA-N 0 0 483.038 5.290 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000038162481 569799624 /nfs/dbraw/zinc/79/96/24/569799624.db2.gz GYWSNQFQRDXDTH-FBCYGCLPSA-N 0 0 493.977 5.535 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1O ZINC000038162647 569799824 /nfs/dbraw/zinc/79/98/24/569799824.db2.gz XYAGFGZCIJRJER-RPPGKUMJSA-N 0 0 499.748 5.758 40 30 JKEBRN CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 ZINC000038179865 569800226 /nfs/dbraw/zinc/80/02/26/569800226.db2.gz NVURCISYZXUNEO-WPWMEQJKSA-N 0 0 465.391 6.625 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5Cl)ccc4O)c3)nc2c1 ZINC000038180044 569800248 /nfs/dbraw/zinc/80/02/48/569800248.db2.gz 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570041519 /nfs/dbraw/zinc/04/15/19/570041519.db2.gz PDKJVCQRXKUEFN-ZVHZXABRSA-N 0 0 472.326 5.626 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408781154 570041520 /nfs/dbraw/zinc/04/15/20/570041520.db2.gz AZJFJSZGKGYNBI-SXFDALKKSA-N 0 0 498.051 7.552 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408781395 570041693 /nfs/dbraw/zinc/04/16/93/570041693.db2.gz CUQGFBXSPPKNLI-UKWGHVSLSA-N 0 0 487.368 6.201 40 30 JKEBRN O=C(NCc1ccc(/C=N/c2cccc(Br)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408782623 570042009 /nfs/dbraw/zinc/04/20/09/570042009.db2.gz XNYZCENKHHCMQR-YSURURNPSA-N 0 0 495.160 5.354 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC ZINC000408783154 570042155 /nfs/dbraw/zinc/04/21/55/570042155.db2.gz KROPCWWLYAWHHP-CBIIRDDDSA-N 0 0 473.436 5.738 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408783183 570042225 /nfs/dbraw/zinc/04/22/25/570042225.db2.gz 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CCOc1ccc(-n2c(C)cc(C=C3C(=O)C(C(=O)OC)=C(C)N3c3ccccc3)c2C)cc1 ZINC000408786319 570043246 /nfs/dbraw/zinc/04/32/46/570043246.db2.gz PINQDNYUTSFBOB-UQQQWYQISA-N 0 0 456.542 5.370 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3c(OCC)ccc4ccc(OCC)cc43)S2)cc1 ZINC000408787852 570043521 /nfs/dbraw/zinc/04/35/21/570043521.db2.gz AGUQVDRLYHDHGY-JLPGSUDCSA-N 0 0 462.571 5.928 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408787671 570043565 /nfs/dbraw/zinc/04/35/65/570043565.db2.gz DKLCBYKBDOJTBA-MUUNZHRXSA-N 0 0 487.555 6.160 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408788118 570043595 /nfs/dbraw/zinc/04/35/95/570043595.db2.gz ILIAMVVJEXTYSX-AREMUKBSSA-N 0 0 494.978 6.084 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408789451 570043655 /nfs/dbraw/zinc/04/36/55/570043655.db2.gz JIYSFRSDTCILLW-HSZRJFAPSA-N 0 0 458.945 5.489 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccc2ccccc2c1 ZINC000408789142 570043662 /nfs/dbraw/zinc/04/36/62/570043662.db2.gz OEVXQGFDQFKWPO-MUUNZHRXSA-N 0 0 487.555 6.160 40 30 JKEBRN O=C(NCc1ccc(/C=N/c2cccc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408789845 570043825 /nfs/dbraw/zinc/04/38/25/570043825.db2.gz NUISRGLIHFXYOC-YSURURNPSA-N 0 0 450.709 5.245 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C)cc2)c(Cl)c1 ZINC000408791413 570044010 /nfs/dbraw/zinc/04/40/10/570044010.db2.gz XHVBUJYHZJBFIP-VWLOTQADSA-N 0 0 485.967 5.969 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(C)cc2)c(Cl)c1 ZINC000408791412 570044011 /nfs/dbraw/zinc/04/40/11/570044011.db2.gz XHVBUJYHZJBFIP-RUZDIDTESA-N 0 0 485.967 5.969 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc3ccccc3c2)c1C ZINC000408792077 570044133 /nfs/dbraw/zinc/04/41/33/570044133.db2.gz HKUJJPHHAWULSR-HHHXNRCGSA-N 0 0 474.560 5.989 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000408794064 570044187 /nfs/dbraw/zinc/04/41/87/570044187.db2.gz HIIPPPIOGHNESH-HHHXNRCGSA-N 0 0 485.543 5.303 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000408794220 570044222 /nfs/dbraw/zinc/04/42/22/570044222.db2.gz IIGNFWAOVJEALC-VWLOTQADSA-N 0 0 452.554 5.452 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408793516 570044245 /nfs/dbraw/zinc/04/42/45/570044245.db2.gz FOYDCEWOPQNYAV-DEOSSOPVSA-N 0 0 471.940 5.660 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408793931 570044249 /nfs/dbraw/zinc/04/42/49/570044249.db2.gz QXHXCTNCESNMAT-DEOSSOPVSA-N 0 0 489.930 5.800 40 30 JKEBRN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc(C)cc1 ZINC000408794960 570044338 /nfs/dbraw/zinc/04/43/38/570044338.db2.gz UGXZVFWGOPFCHT-HHHXNRCGSA-N 0 0 495.575 5.714 40 30 JKEBRN 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C#CCOc1ccc2ccccc2c1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408807404 570047954 /nfs/dbraw/zinc/04/79/54/570047954.db2.gz CHMMFQKZMAJECM-HKBQPEDESA-N 0 0 457.573 7.315 40 30 JKEBRN C#CCOc1ccc2ccccc2c1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408807409 570047977 /nfs/dbraw/zinc/04/79/77/570047977.db2.gz CHMMFQKZMAJECM-WJOKGBTCSA-N 0 0 457.573 7.315 40 30 JKEBRN CCOC(=O)Cn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408807336 570047990 /nfs/dbraw/zinc/04/79/90/570047990.db2.gz BVBKHUQIVRITEK-PMERELPUSA-N 0 0 464.565 6.339 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc1Br ZINC000408807819 570048171 /nfs/dbraw/zinc/04/81/71/570048171.db2.gz OYLXLYNSGOQGTH-UHFFFAOYSA-N 0 0 460.373 5.094 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408808163 570048265 /nfs/dbraw/zinc/04/82/65/570048265.db2.gz DNHRLKRVUHOMBJ-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1OCc1cccc(Cl)c1 ZINC000408808417 570048307 /nfs/dbraw/zinc/04/83/07/570048307.db2.gz GROZOEKSIIMXCQ-HKBQPEDESA-N 0 0 494.034 8.382 40 30 JKEBRN N#Cc1ccc(COc2cccc(/C=N\c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)c2)cc1 ZINC000408808924 570048572 /nfs/dbraw/zinc/04/85/72/570048572.db2.gz GVPXZUIPXTXFOC-MZFJOGFUSA-N 0 0 497.664 6.891 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408808833 570048575 /nfs/dbraw/zinc/04/85/75/570048575.db2.gz GUZRVATWDPMXDN-JMIUGGIZSA-N 0 0 460.361 6.432 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408809104 570048577 /nfs/dbraw/zinc/04/85/77/570048577.db2.gz HXBHLUZIYGQYON-ITYLOYPMSA-N 0 0 485.605 6.942 40 30 JKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1OCC ZINC000408809475 570048678 /nfs/dbraw/zinc/04/86/78/570048678.db2.gz HPUBSTLWKIELPC-PKAZHMFMSA-N 0 0 454.636 6.237 40 30 JKEBRN O=C(NC1CCCCC1)c1c2c(sc1/N=C\c1ccc(OCc3ccc(F)cc3)cc1)CCCC2 ZINC000408809255 570048686 /nfs/dbraw/zinc/04/86/86/570048686.db2.gz REPUXXJTVUMREJ-MNBJERMJSA-N 0 0 490.644 7.158 40 30 JKEBRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408809568 570048781 /nfs/dbraw/zinc/04/87/81/570048781.db2.gz HCDBGNYURWIXMF-IWIPYMOSSA-N 0 0 456.523 5.777 40 30 JKEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408809680 570048791 /nfs/dbraw/zinc/04/87/91/570048791.db2.gz IGWHPFHFDLUXMZ-QRVIBDJDSA-N 0 0 488.956 6.143 40 30 JKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408810473 570049014 /nfs/dbraw/zinc/04/90/14/570049014.db2.gz KRZGXJZWPZELSM-FBHDLOMBSA-N 0 0 477.796 7.564 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)SC1=S ZINC000408810739 570049055 /nfs/dbraw/zinc/04/90/55/570049055.db2.gz LDGBARNCFHRQOQ-ZSOIEALJSA-N 0 0 485.768 5.658 40 30 JKEBRN CCOC(=O)c1c(Cl)c(/C=N/N2C(=O)c3ccccc3C2=O)oc1Nc1ccc(Cl)cc1 ZINC000408810854 570049072 /nfs/dbraw/zinc/04/90/72/570049072.db2.gz LKNHTEVEGURTKQ-OPEKNORGSA-N 0 0 472.284 5.137 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)cc1 ZINC000408811336 570049129 /nfs/dbraw/zinc/04/91/29/570049129.db2.gz LCAKSMMBLREKHI-NHDPSOOVSA-N 0 0 455.942 5.787 40 30 JKEBRN CCOC(=O)c1c(Cl)c(CN=Nc2ccc([N+](=O)[O-])cn2)oc1Nc1cccc(Cl)c1 ZINC000408811143 570049140 /nfs/dbraw/zinc/04/91/40/570049140.db2.gz LCFGVUKVKOGRBA-RMORIDSASA-N 0 0 464.265 5.256 40 30 JKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000408811642 570049248 /nfs/dbraw/zinc/04/92/48/570049248.db2.gz LSDGGHGNYMIISD-UHFFFAOYSA-N 0 0 498.170 6.253 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408811963 570049351 /nfs/dbraw/zinc/04/93/51/570049351.db2.gz MCFGIQMCTXHWMR-QRVIBDJDSA-N 0 0 472.639 6.106 40 30 JKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccc([N+](=O)[O-])cc2)oc1Nc1cccc(Cl)c1 ZINC000408812131 570049363 /nfs/dbraw/zinc/04/93/63/570049363.db2.gz NUHGKWQUJHKTHF-KSEXSDGBSA-N 0 0 463.277 5.861 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 ZINC000408812879 570049579 /nfs/dbraw/zinc/04/95/79/570049579.db2.gz BZCXOLBMRFNJGX-MTJSOVHGSA-N 0 0 467.978 5.366 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NCCc1ccccc1 ZINC000408813337 570049658 /nfs/dbraw/zinc/04/96/58/570049658.db2.gz UBCKEIZDUATTEN-YQYKVWLJSA-N 0 0 450.538 5.967 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408814105 570049850 /nfs/dbraw/zinc/04/98/50/570049850.db2.gz RLTOOYBTJVVGCK-UUYOSTAYSA-N 0 0 493.057 6.451 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)c1 ZINC000408814087 570049870 /nfs/dbraw/zinc/04/98/70/570049870.db2.gz PXLJTWHLURJFCE-YUMHPJSZSA-N 0 0 499.035 7.581 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)c2ccccc21 ZINC000408814231 570049993 /nfs/dbraw/zinc/04/99/93/570049993.db2.gz SDEDURZJIBVSNK-NTFVMDSBSA-N 0 0 484.584 6.606 40 30 JKEBRN COc1cc(Br)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1O ZINC000408815376 570050352 /nfs/dbraw/zinc/05/03/52/570050352.db2.gz HMXWOEILXVIKEW-HSZRJFAPSA-N 0 0 450.332 5.990 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408815728 570050441 /nfs/dbraw/zinc/05/04/41/570050441.db2.gz RWMAQVRURMXARE-ODLFYWEKSA-N 0 0 469.360 5.294 40 30 JKEBRN O=C1CCCC2=C1[C@@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)Nc1ccc3ccccc3c12 ZINC000408815834 570050493 /nfs/dbraw/zinc/05/04/93/570050493.db2.gz VEBDKERGUYNNIT-JGCGQSQUSA-N 0 0 489.018 8.170 40 30 JKEBRN CCOC(=O)c1c(Cl)c(C=NN=c2ccc3ccccc3[nH]2)oc1Nc1ccc(Cl)cc1 ZINC000408816178 570050555 /nfs/dbraw/zinc/05/05/55/570050555.db2.gz KUYAHPKBMYEMNQ-LGJNPRDNSA-N 0 0 469.328 6.501 40 30 JKEBRN O=C1NC(=Nc2cccc3ccccc32)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408816713 570050649 /nfs/dbraw/zinc/05/06/49/570050649.db2.gz UMDSAIQBBDKIPM-YUMHPJSZSA-N 0 0 494.019 7.388 40 30 JKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408816744 570050673 /nfs/dbraw/zinc/05/06/73/570050673.db2.gz SDMPNMBUGYRRDQ-QDTIIGTASA-N 0 0 462.855 6.136 40 30 JKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000408816665 570050730 /nfs/dbraw/zinc/05/07/30/570050730.db2.gz ZBDPDMCWWVMWTP-CEUNXORHSA-N 0 0 452.510 6.256 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408817066 570050785 /nfs/dbraw/zinc/05/07/85/570050785.db2.gz VABAMPSUYVMUJB-CFRMEGHHSA-N 0 0 486.666 6.415 40 30 JKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408816969 570050811 /nfs/dbraw/zinc/05/08/11/570050811.db2.gz MNEJKVBDRWNYIN-UHFFFAOYSA-N 0 0 468.384 6.366 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408816766 570050813 /nfs/dbraw/zinc/05/08/13/570050813.db2.gz MEDLVFNLUCWQOR-JLPGSUDCSA-N 0 0 475.541 6.383 40 30 JKEBRN C#CCOc1c(Cl)cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000408816958 570050826 /nfs/dbraw/zinc/05/08/26/570050826.db2.gz UVBBHPSPTZWUNH-NDEPHWFRSA-N 0 0 486.011 7.213 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc1 ZINC000408816892 570050844 /nfs/dbraw/zinc/05/08/44/570050844.db2.gz KGRYKFCGIVJTDC-HMAPJEAMSA-N 0 0 450.947 5.819 40 30 JKEBRN C#CCOc1c(Cl)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000408816948 570050853 /nfs/dbraw/zinc/05/08/53/570050853.db2.gz UVBBHPSPTZWUNH-MUUNZHRXSA-N 0 0 486.011 7.213 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1CC=C ZINC000408817484 570050928 /nfs/dbraw/zinc/05/09/28/570050928.db2.gz WJZVZIITZUMZQG-RGEXLXHISA-N 0 0 456.361 5.983 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)S2)cc1 ZINC000408817228 570050941 /nfs/dbraw/zinc/05/09/41/570050941.db2.gz MZDCACJDMPVSBW-XKZIYDEJSA-N 0 0 469.393 6.772 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408817179 570050955 /nfs/dbraw/zinc/05/09/55/570050955.db2.gz KURASHKGSMFKQF-WQRHYEAKSA-N 0 0 463.784 5.867 40 30 JKEBRN COc1cc(Br)cc(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)c1O ZINC000408817731 570051001 /nfs/dbraw/zinc/05/10/01/570051001.db2.gz MAMXINIRMCOCBS-ZDLGFXPLSA-N 0 0 455.333 5.208 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)c1 ZINC000408817951 570051058 /nfs/dbraw/zinc/05/10/58/570051058.db2.gz XAEDQBHOWGOAIM-OYKKKHCWSA-N 0 0 457.986 6.543 40 30 JKEBRN C=CCn1c(C)c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408817610 570051102 /nfs/dbraw/zinc/05/11/02/570051102.db2.gz YAUAQAUWXPGFJT-UHFFFAOYSA-N 0 0 477.589 5.884 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408818314 570051130 /nfs/dbraw/zinc/05/11/30/570051130.db2.gz PLANTBGEYTUUMR-LFIBNONCSA-N 0 0 495.192 6.017 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408818243 570051143 /nfs/dbraw/zinc/05/11/43/570051143.db2.gz XGFPKMSDONXBHH-CFRMEGHHSA-N 0 0 486.666 6.415 40 30 JKEBRN CCOC(=O)Cn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408818247 570051145 /nfs/dbraw/zinc/05/11/45/570051145.db2.gz PFNSORIQFZGMBS-HKBQPEDESA-N 0 0 492.619 6.976 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OCC ZINC000408818278 570051178 /nfs/dbraw/zinc/05/11/78/570051178.db2.gz PHPUNVRUVBUPKK-UHFFFAOYSA-N 0 0 462.378 5.476 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408818894 570051393 /nfs/dbraw/zinc/05/13/93/570051393.db2.gz PIYQCBYDNUPIHP-BHGWPJFGSA-N 0 0 491.287 5.843 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)SC1=S ZINC000408820259 570051706 /nfs/dbraw/zinc/05/17/06/570051706.db2.gz UXDBRLWTGQRWTC-BKUYFWCQSA-N 0 0 492.582 5.577 40 30 JKEBRN C#CCOc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408820133 570051738 /nfs/dbraw/zinc/05/17/38/570051738.db2.gz VMNIIOUQCXNHSQ-AREMUKBSSA-N 0 0 458.355 6.288 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408820225 570051778 /nfs/dbraw/zinc/05/17/78/570051778.db2.gz VYCUCKTYANWQNI-UQQQWYQISA-N 0 0 489.568 6.773 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)SC1=S ZINC000408820331 570051787 /nfs/dbraw/zinc/05/17/87/570051787.db2.gz WVYUZUGANSOACE-IWIPYMOSSA-N 0 0 478.614 6.199 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408820339 570051796 /nfs/dbraw/zinc/05/17/96/570051796.db2.gz WXZILQIKGHOGCP-IWIPYMOSSA-N 0 0 496.415 7.542 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)c1 ZINC000408820823 570051849 /nfs/dbraw/zinc/05/18/49/570051849.db2.gz ZEXFJIMHROBMLZ-WGARJPEWSA-N 0 0 462.578 6.070 40 30 JKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000408820543 570051901 /nfs/dbraw/zinc/05/19/01/570051901.db2.gz YKLFFCFRRKUREC-XEGDLUDSSA-N 0 0 470.662 7.190 40 30 JKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408820910 570051961 /nfs/dbraw/zinc/05/19/61/570051961.db2.gz AJFGJFYPPMLTIP-QRVIBDJDSA-N 0 0 478.404 6.888 40 30 JKEBRN CCOC(=O)c1c(Cl)c(/C=N/N(c2ccccc2)c2ccccc2)oc1Nc1ccc(Cl)cc1 ZINC000408821622 570051997 /nfs/dbraw/zinc/05/19/97/570051997.db2.gz JMDMZAZUBSUNBX-STBIYBPSSA-N 0 0 494.378 7.679 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccc(F)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408821782 570052014 /nfs/dbraw/zinc/05/20/14/570052014.db2.gz KFLLUTGIRWLRKA-STBIYBPSSA-N 0 0 476.573 6.177 40 30 JKEBRN Brc1cc(Br)c(OCc2ccccc2)c(C=NNc2ccccc2)c1 ZINC000408821049 570052043 /nfs/dbraw/zinc/05/20/43/570052043.db2.gz BVQUMEVQKMUXEY-YDZHTSKRSA-N 0 0 460.169 6.237 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408821557 570052044 /nfs/dbraw/zinc/05/20/44/570052044.db2.gz IWHFUTUYXOEIRS-STBIYBPSSA-N 0 0 493.028 6.692 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccc(/C=N/c2cccc(Cl)c2)o1)Cc1ccc(Cl)cc1 ZINC000408822704 570052145 /nfs/dbraw/zinc/05/21/45/570052145.db2.gz CTGDAYZSAWSKRL-LQKURTRISA-N 0 0 499.419 6.728 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)SC1=S ZINC000408824162 570052337 /nfs/dbraw/zinc/05/23/37/570052337.db2.gz PVFJNEMEYPKJDG-MYYYXRDXSA-N 0 0 485.634 5.932 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)cc1OCC ZINC000408829662 570052653 /nfs/dbraw/zinc/05/26/53/570052653.db2.gz XHQGKYZXTIDJME-JCMHNJIXSA-N 0 0 462.958 5.796 40 30 JKEBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/c3ccc(F)cc3)o2)Cc2ccc(Cl)cc2)cc1 ZINC000408834488 570053004 /nfs/dbraw/zinc/05/30/04/570053004.db2.gz WGPZKBJSVMMYFG-MUFRIFMGSA-N 0 0 496.991 6.522 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 ZINC000408841847 570053810 /nfs/dbraw/zinc/05/38/10/570053810.db2.gz IAFOQNDAGCFZET-RUZDIDTESA-N 0 0 469.512 5.536 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408842169 570053818 /nfs/dbraw/zinc/05/38/18/570053818.db2.gz NDPWDMQULDGTCI-VWLOTQADSA-N 0 0 496.519 5.305 40 30 JKEBRN COc1cccc2c(/C=C3/SC(=Nc4ccccc4Cl)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408842978 570053982 /nfs/dbraw/zinc/05/39/82/570053982.db2.gz PUANGZIDOVHMDP-KGENOOAVSA-N 0 0 459.958 6.389 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)cc(Cl)c1OCC ZINC000408843161 570053987 /nfs/dbraw/zinc/05/39/87/570053987.db2.gz QPKDSOOCMVBUHA-LJQANCHMSA-N 0 0 458.341 5.524 40 30 JKEBRN Clc1ccc(Sc2oc(/C=N/c3ccc(-c4ccccc4)cc3)cc2Br)cc1 ZINC000408843439 570054026 /nfs/dbraw/zinc/05/40/26/570054026.db2.gz FPIUEQXGJJEWRV-CVKSISIWSA-N 0 0 468.803 8.264 40 30 JKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408844006 570054105 /nfs/dbraw/zinc/05/41/05/570054105.db2.gz HWKLJMIQIRFJFH-MNBJERMJSA-N 0 0 481.665 7.654 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408843559 570054126 /nfs/dbraw/zinc/05/41/26/570054126.db2.gz GANWCGNXGBERRK-STKRCPKJSA-N 0 0 484.665 7.811 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408843557 570054133 /nfs/dbraw/zinc/05/41/33/570054133.db2.gz GANWCGNXGBERRK-DUOPTBKHSA-N 0 0 484.665 7.811 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(-c3ccc(Cl)cc3Cl)o1)CCCC2 ZINC000408844222 570054197 /nfs/dbraw/zinc/05/41/97/570054197.db2.gz CPAWOBBAVHEOBX-FDVSRXAVSA-N 0 0 495.431 8.197 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408844805 570054342 /nfs/dbraw/zinc/05/43/42/570054342.db2.gz UYXXDZVIUJNFNT-MHZLTWQESA-N 0 0 495.575 5.796 40 30 JKEBRN C=CCOc1c(Cl)cc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1OCC ZINC000408844712 570054350 /nfs/dbraw/zinc/05/43/50/570054350.db2.gz UQNMSKLKOBVIDH-QFIPXVFZSA-N 0 0 479.960 5.435 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408845451 570054418 /nfs/dbraw/zinc/05/44/18/570054418.db2.gz FKYJWNFXBDUHSO-GATIEOLUSA-N 0 0 489.315 6.452 40 30 JKEBRN C=CCOc1c(Cl)cc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl ZINC000408845361 570054481 /nfs/dbraw/zinc/05/44/81/570054481.db2.gz WDOPAPCVHHOKQT-HXUWFJFHSA-N 0 0 470.352 5.690 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408845443 570054488 /nfs/dbraw/zinc/05/44/88/570054488.db2.gz MZOLHOXHTSDCKV-BIEDDHLVSA-N 0 0 474.601 7.314 40 30 JKEBRN COc1cc(Br)cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1O ZINC000408845973 570054554 /nfs/dbraw/zinc/05/45/54/570054554.db2.gz WZIOZYVTLSTDRZ-DEOSSOPVSA-N 0 0 478.386 6.626 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000408846477 570054646 /nfs/dbraw/zinc/05/46/46/570054646.db2.gz SOCDWLPNEPAYIV-SANMLTNESA-N 0 0 499.538 5.545 40 30 JKEBRN O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408846623 570054648 /nfs/dbraw/zinc/05/46/48/570054648.db2.gz QURYRGDLSMORGX-UDGIJHFQSA-N 0 0 459.384 6.525 40 30 JKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408846624 570054689 /nfs/dbraw/zinc/05/46/89/570054689.db2.gz QVDIMVWQRXSNLB-ZDLGFXPLSA-N 0 0 488.294 5.648 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(OCC)c(OCC)cc1Cl ZINC000408846670 570054692 /nfs/dbraw/zinc/05/46/92/570054692.db2.gz YECHFBGBMIPWHF-QFIPXVFZSA-N 0 0 467.949 5.269 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccccc1Cl ZINC000408846511 570054730 /nfs/dbraw/zinc/05/47/30/570054730.db2.gz SSMGWBHKNXGBRS-VWLOTQADSA-N 0 0 485.967 6.051 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000408847329 570054774 /nfs/dbraw/zinc/05/47/74/570054774.db2.gz VBNFVYTVYKZJRW-VWLOTQADSA-N 0 0 469.512 5.536 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408847265 570054827 /nfs/dbraw/zinc/05/48/27/570054827.db2.gz UPEXTZKENQMLFV-AREMUKBSSA-N 0 0 481.548 5.406 40 30 JKEBRN CCOC(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408848070 570054938 /nfs/dbraw/zinc/05/49/38/570054938.db2.gz YASWHGRLXPXOGR-IQHOEELTSA-N 0 0 494.613 6.413 40 30 JKEBRN CCOC(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408848068 570054952 /nfs/dbraw/zinc/05/49/52/570054952.db2.gz YASWHGRLXPXOGR-HIDDVGFWSA-N 0 0 494.613 6.413 40 30 JKEBRN O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408848775 570055132 /nfs/dbraw/zinc/05/51/32/570055132.db2.gz SOXMLUFVWMJHAN-BOTKPODPSA-N 0 0 486.612 7.341 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S1 ZINC000408849210 570055184 /nfs/dbraw/zinc/05/51/84/570055184.db2.gz VTJLPLMAKZBUHK-XKZIYDEJSA-N 0 0 493.972 5.258 40 30 JKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408848867 570055207 /nfs/dbraw/zinc/05/52/07/570055207.db2.gz WQCMVFXOSUHFJU-FDAWAROLSA-N 0 0 475.419 8.361 40 30 JKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1 ZINC000408850020 570055250 /nfs/dbraw/zinc/05/52/50/570055250.db2.gz CWBWOGCWEYDUCF-OYKKKHCWSA-N 0 0 470.323 5.781 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408849781 570055251 /nfs/dbraw/zinc/05/52/51/570055251.db2.gz ZCGAEWNPPAQOIT-XKZIYDEJSA-N 0 0 452.482 5.444 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc(OCC)c1O ZINC000408849930 570055252 /nfs/dbraw/zinc/05/52/52/570055252.db2.gz BBZAMUJHLVQCDK-PDGQHHTCSA-N 0 0 459.365 5.174 40 30 JKEBRN CCOc1cc(C=NNc2ccccc2)c(Br)cc1OCc1ccccc1Cl ZINC000408850091 570055351 /nfs/dbraw/zinc/05/53/51/570055351.db2.gz FQYJMZSWEWCYTR-QFEZKATASA-N 0 0 459.771 6.526 40 30 JKEBRN Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 ZINC000408850378 570055387 /nfs/dbraw/zinc/05/53/87/570055387.db2.gz MMXNUTDCBDXSTJ-UNOMPAQXSA-N 0 0 472.795 6.093 40 30 JKEBRN CCOc1cc(C=NNc2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408850678 570055452 /nfs/dbraw/zinc/05/54/52/570055452.db2.gz CHXIMWLLDNXEIW-MXAYSNPKSA-N 0 0 460.759 5.921 40 30 JKEBRN COC(=O)c1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408850725 570055456 /nfs/dbraw/zinc/05/54/56/570055456.db2.gz DDIZKOOVGPRGBM-JJFYIABZSA-N 0 0 450.741 6.384 40 30 JKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408850958 570055573 /nfs/dbraw/zinc/05/55/73/570055573.db2.gz HAXMJAIPWNVFAU-BKUYFWCQSA-N 0 0 483.362 6.059 40 30 JKEBRN COc1cc(Cl)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408850946 570055633 /nfs/dbraw/zinc/05/56/33/570055633.db2.gz GYNWOCLKKYGFJL-HDDFFKRISA-N 0 0 471.022 6.540 40 30 JKEBRN CCn1c2ccccc2c2cc(/C=C3\S/C(=N\c4ccccc4)N([C@H]4CCCC[C@H]4C)C3=O)ccc21 ZINC000408852095 570055664 /nfs/dbraw/zinc/05/56/64/570055664.db2.gz IDDLWIOUBGTASV-QSLGRIPDSA-N 0 0 493.676 7.997 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C/c2ccccc2OCc2ccccc2)sc2c1CCCC2 ZINC000408851678 570055795 /nfs/dbraw/zinc/05/57/95/570055795.db2.gz MHIHLTCOHVBZOA-OCSSWDANSA-N 0 0 470.594 6.480 40 30 JKEBRN CC(=O)Oc1ccc(Br)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408852573 570055900 /nfs/dbraw/zinc/05/59/00/570055900.db2.gz UJJVVWCXRZBDRU-WGARJPEWSA-N 0 0 497.414 6.318 40 30 JKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408853050 570055903 /nfs/dbraw/zinc/05/59/03/570055903.db2.gz PKNHAKCJVJNINO-RHANQZHGSA-N 0 0 498.608 6.946 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1OCC#N ZINC000408852691 570055930 /nfs/dbraw/zinc/05/59/30/570055930.db2.gz MPHKMGQOVVKYNS-YINAVUDMSA-N 0 0 479.577 6.063 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N1CC ZINC000408853404 570055953 /nfs/dbraw/zinc/05/59/53/570055953.db2.gz RZSAMTDQXUMUJH-MKIIFEJHSA-N 0 0 462.974 5.769 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408853936 570055962 /nfs/dbraw/zinc/05/59/62/570055962.db2.gz TVLGMYOHSLNEJV-HXNPFYCNSA-N 0 0 457.555 6.528 40 30 JKEBRN COC(=O)c1ccccc1/N=C\c1c(C)n(-c2ccc(Br)cc2)c(C)c1Br ZINC000408853673 570056023 /nfs/dbraw/zinc/05/60/23/570056023.db2.gz WJGILLOIHCYPCY-MSXFZWOLSA-N 0 0 490.195 6.156 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OCc1cccc(F)c1 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40 30 JKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC ZINC000408856244 570056525 /nfs/dbraw/zinc/05/65/25/570056525.db2.gz JMISHANEMMHLHD-DICXZTSXSA-N 0 0 450.560 5.474 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(OCc3ccccc3F)cc1)CCCC2 ZINC000408856379 570056530 /nfs/dbraw/zinc/05/65/30/570056530.db2.gz HXGXBENKHXPQEW-MNBJERMJSA-N 0 0 484.596 7.348 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OC ZINC000408856377 570056537 /nfs/dbraw/zinc/05/65/37/570056537.db2.gz GHTVSDXCZBMOSF-QJJJGASVSA-N 0 0 450.604 6.277 40 30 JKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)cc(C)c1OCc1ccc(Br)cc1 ZINC000408855926 570056553 /nfs/dbraw/zinc/05/65/53/570056553.db2.gz HJEIOPNFGBAPFE-JFLMPSFJSA-N 0 0 460.375 6.639 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000408855773 570056554 /nfs/dbraw/zinc/05/65/54/570056554.db2.gz DMZWWEFVLDZACB-YSMPRRRNSA-N 0 0 485.584 6.346 40 30 JKEBRN COc1ccc(Br)c(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 ZINC000408856754 570056597 /nfs/dbraw/zinc/05/65/97/570056597.db2.gz RAGMLYXBBHEMQQ-ROTLSHHCSA-N 0 0 473.392 5.672 40 30 JKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1 ZINC000408856572 570056624 /nfs/dbraw/zinc/05/66/24/570056624.db2.gz HQLIALOKPPFCKS-JAEKNWQQSA-N 0 0 451.592 5.299 40 30 JKEBRN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1C ZINC000245231282 570056766 /nfs/dbraw/zinc/05/67/66/570056766.db2.gz AVDLOPJYHSRXKS-LCQQBMRFSA-N 0 0 462.549 5.237 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 ZINC000408857581 570056787 /nfs/dbraw/zinc/05/67/87/570056787.db2.gz LDBKQQCHMOWILQ-GRSHGNNSSA-N 0 0 474.325 6.362 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408857473 570056826 /nfs/dbraw/zinc/05/68/26/570056826.db2.gz OKPISZSENGFHAO-XOVMAZANSA-N 0 0 491.838 5.942 40 30 JKEBRN CCOc1cc(C=NN2C(=S)N=NC2CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408858587 570056889 /nfs/dbraw/zinc/05/68/89/570056889.db2.gz UFTJHLCYAGIIPL-FOKLQQMPSA-N 0 0 451.379 5.296 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC#N ZINC000408858181 570056927 /nfs/dbraw/zinc/05/69/27/570056927.db2.gz XJLUKKKYSDXVII-MBZNPFJZSA-N 0 0 475.614 6.170 40 30 JKEBRN CCOc1cc(C=NNc2ccc3ccccc3n2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408858641 570056930 /nfs/dbraw/zinc/05/69/30/570056930.db2.gz ZXYBEZYNBMJEIB-RWPZCVJISA-N 0 0 494.364 6.560 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O ZINC000408858413 570056963 /nfs/dbraw/zinc/05/69/63/570056963.db2.gz SBTFTQHIUCZHFB-ZDLGFXPLSA-N 0 0 463.784 5.867 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1O ZINC000408859128 570057026 /nfs/dbraw/zinc/05/70/26/570057026.db2.gz WSBJJEVHERUBAL-FFCNFIPUSA-N 0 0 471.022 6.627 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1O ZINC000408859133 570057042 /nfs/dbraw/zinc/05/70/42/570057042.db2.gz WSBJJEVHERUBAL-YBDBCBFUSA-N 0 0 471.022 6.627 40 30 JKEBRN CCC1N=NC(=S)N1N=Cc1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000408859908 570057139 /nfs/dbraw/zinc/05/71/39/570057139.db2.gz VIOKSRQKRARRAU-LQKURTRISA-N 0 0 459.663 5.887 40 30 JKEBRN COc1ccc(-c2ccc(/C=C3\SC(=Nc4cc(C)ccc4OC)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408859996 570057176 /nfs/dbraw/zinc/05/71/76/570057176.db2.gz QOAUYQGVTUKRTO-MTJSOVHGSA-N 0 0 465.487 5.072 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000408860041 570057193 /nfs/dbraw/zinc/05/71/93/570057193.db2.gz RBHCHVRPMKDTJP-ZDLGFXPLSA-N 0 0 479.772 6.807 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408861027 570057275 /nfs/dbraw/zinc/05/72/75/570057275.db2.gz LEDRHHVPEPMXRS-STKRCPKJSA-N 0 0 480.633 7.035 40 30 JKEBRN CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408860345 570057280 /nfs/dbraw/zinc/05/72/80/570057280.db2.gz ZFRCBRZBFBJVJR-OATKDMAPSA-N 0 0 478.614 5.811 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)S1 ZINC000408861038 570057291 /nfs/dbraw/zinc/05/72/91/570057291.db2.gz LKDQYONJUXJRSM-QQXSKIMKSA-N 0 0 467.594 6.207 40 30 JKEBRN CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408861025 570057314 /nfs/dbraw/zinc/05/73/14/570057314.db2.gz LBQUHJMTKJZPTM-YTFPPIDOSA-N 0 0 458.986 6.815 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccccc1 ZINC000408862559 570057433 /nfs/dbraw/zinc/05/74/33/570057433.db2.gz GKZWRYLZANYHBD-CGJGIJELSA-N 0 0 469.654 7.277 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000408861905 570057438 /nfs/dbraw/zinc/05/74/38/570057438.db2.gz FCUTYYAIPRJPNW-JAIQZWGSSA-N 0 0 459.354 6.462 40 30 JKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 ZINC000408861709 570057439 /nfs/dbraw/zinc/05/74/39/570057439.db2.gz GCGGXVDWLMLVGC-UCQKPKSFSA-N 0 0 450.991 6.872 40 30 JKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000408861956 570057445 /nfs/dbraw/zinc/05/74/45/570057445.db2.gz FJDABJWZXTZXAQ-BOPFTXTBSA-N 0 0 453.545 6.071 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCOCC3)o2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408861375 570057457 /nfs/dbraw/zinc/05/74/57/570057457.db2.gz RDWPOKNPVMKQQD-XZXOCULKSA-N 0 0 455.555 5.192 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccccc1 ZINC000408862563 570057461 /nfs/dbraw/zinc/05/74/61/570057461.db2.gz GKZWRYLZANYHBD-POCRDWLPSA-N 0 0 469.654 7.277 40 30 JKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408862943 570057543 /nfs/dbraw/zinc/05/75/43/570057543.db2.gz JLPNZFJGDLXDBN-RUTUFOKXSA-N 0 0 498.490 6.698 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OC(C)C ZINC000408862893 570057552 /nfs/dbraw/zinc/05/75/52/570057552.db2.gz JDWWVKBQKOUCCX-RKBHXKOZSA-N 0 0 464.631 6.665 40 30 JKEBRN 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JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)cc1 ZINC000408931215 570080065 /nfs/dbraw/zinc/08/00/65/570080065.db2.gz INXVQHPCOISXMP-WPWMEQJKSA-N 0 0 465.391 5.924 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N\c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408931482 570080098 /nfs/dbraw/zinc/08/00/98/570080098.db2.gz MEXUCEBVGXKENT-UCQKPKSFSA-N 0 0 480.200 5.364 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)cc1 ZINC000408931491 570080106 /nfs/dbraw/zinc/08/01/06/570080106.db2.gz MHNUMVANSNARAI-WGOQTCKBSA-N 0 0 496.361 5.524 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(OC)cc1 ZINC000408931480 570080174 /nfs/dbraw/zinc/08/01/74/570080174.db2.gz MEQXWVASFQLXAS-YWROOUKNSA-N 0 0 479.514 5.114 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931790 570080291 /nfs/dbraw/zinc/08/02/91/570080291.db2.gz QHSSTVGYCRFGEW-OGLMXYFKSA-N 0 0 495.963 5.813 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccc(F)cc1 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DNDDURHGIZIGBT-PPDIBHTLSA-N 0 0 467.260 6.632 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)c(Cl)cc1OC ZINC000408932971 570080624 /nfs/dbraw/zinc/08/06/24/570080624.db2.gz GDTJTCVHEKNCSB-LGHZWSLZSA-N 0 0 476.982 5.006 40 30 JKEBRN Clc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408932837 570080635 /nfs/dbraw/zinc/08/06/35/570080635.db2.gz ZVJMMSBJSMTCTO-FDAWAROLSA-N 0 0 491.418 7.313 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)cc1Cl ZINC000408932832 570080674 /nfs/dbraw/zinc/08/06/74/570080674.db2.gz ZTMDXSOWDNIRHM-UGVCYYKNSA-N 0 0 459.011 6.158 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408932811 570080680 /nfs/dbraw/zinc/08/06/80/570080680.db2.gz ZIVHBNIFBIOZCE-OGLMXYFKSA-N 0 0 495.963 5.813 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408933378 570080786 /nfs/dbraw/zinc/08/07/86/570080786.db2.gz IZSQCJUMAXNJDP-NVJOKUIPSA-N 0 0 497.286 6.641 40 30 JKEBRN O=C(Cn1cc(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408933741 570080895 /nfs/dbraw/zinc/08/08/95/570080895.db2.gz KLLRJZYPYSBCLN-DBFSUHOCSA-N 0 0 470.882 6.398 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408935222 570081123 /nfs/dbraw/zinc/08/11/23/570081123.db2.gz NADUIWCEDCOPMT-ULPWCQAASA-N 0 0 495.860 5.970 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Br)ccc2OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000408935050 570081125 /nfs/dbraw/zinc/08/11/25/570081125.db2.gz CDWZEYVHNYSSHH-KSEXSDGBSA-N 0 0 489.257 5.430 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N\c1ccccc1 ZINC000408934661 570081131 /nfs/dbraw/zinc/08/11/31/570081131.db2.gz MCMAEPZUXHGTJZ-KFLOGIKRSA-N 0 0 476.554 5.374 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Br)c1O ZINC000408934978 570081154 /nfs/dbraw/zinc/08/11/54/570081154.db2.gz BWATZZAUYMBXGN-JDVLXGQCSA-N 0 0 489.413 7.131 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408934995 570081198 /nfs/dbraw/zinc/08/11/98/570081198.db2.gz BXMMOWHUEWHBJA-NQNNIARTSA-N 0 0 458.989 7.243 40 30 JKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935689 570081263 /nfs/dbraw/zinc/08/12/63/570081263.db2.gz DJPHFCQBUIBZGD-BMQFKMCRSA-N 0 0 474.579 7.982 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408935715 570081267 /nfs/dbraw/zinc/08/12/67/570081267.db2.gz DMQWEVZUPOSPGS-OSWAVSARSA-N 0 0 458.605 8.206 40 30 JKEBRN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)S/C1=N\c1ccccc1 ZINC000408935269 570081274 /nfs/dbraw/zinc/08/12/74/570081274.db2.gz NCPCLROVJMIRLB-AJGXWLHTSA-N 0 0 459.615 6.043 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408935687 570081277 /nfs/dbraw/zinc/08/12/77/570081277.db2.gz INYWTQUMUNDZSW-IILQSECHSA-N 0 0 462.593 6.983 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408935713 570081301 /nfs/dbraw/zinc/08/13/01/570081301.db2.gz DMQWEVZUPOSPGS-LCNRBEHESA-N 0 0 458.605 8.206 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408935688 570081351 /nfs/dbraw/zinc/08/13/51/570081351.db2.gz INYWTQUMUNDZSW-VQWBVUPTSA-N 0 0 462.593 6.983 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408935977 570081375 /nfs/dbraw/zinc/08/13/75/570081375.db2.gz FJSFZOWOAFFLHQ-LZYBPNLTSA-N 0 0 450.716 5.396 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408935792 570081445 /nfs/dbraw/zinc/08/14/45/570081445.db2.gz NSOACRKKKRMYNI-WMOWQXFYSA-N 0 0 463.515 5.495 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408936065 570081453 /nfs/dbraw/zinc/08/14/53/570081453.db2.gz JVTVMNAYXKPNIQ-IILQSECHSA-N 0 0 466.625 7.760 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408936054 570081460 /nfs/dbraw/zinc/08/14/60/570081460.db2.gz JTQNJJRXPUZMEX-UMBCLGPTSA-N 0 0 497.038 7.636 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408936454 570081561 /nfs/dbraw/zinc/08/15/61/570081561.db2.gz JVTVMNAYXKPNIQ-XQPPUJSCSA-N 0 0 466.625 7.760 40 30 JKEBRN COCCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccccc1 ZINC000408936796 570081633 /nfs/dbraw/zinc/08/16/33/570081633.db2.gz PYGNACGUXATMDO-OQNHBUHUSA-N 0 0 477.542 5.804 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408939141 570082211 /nfs/dbraw/zinc/08/22/11/570082211.db2.gz LTEJRLQDPGWEBR-SZYPEGFDSA-N 0 0 485.027 7.881 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)S/C1=N\c1ccccc1 ZINC000408938814 570082215 /nfs/dbraw/zinc/08/22/15/570082215.db2.gz SIEUTHTXLOZWAK-WAMJVRJTSA-N 0 0 494.060 6.696 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc1)N2 ZINC000408939214 570082224 /nfs/dbraw/zinc/08/22/24/570082224.db2.gz LWBBRFWKALUSGD-RZOFCSFCSA-N 0 0 470.616 8.151 40 30 JKEBRN Fc1ccccc1Cn1c(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc2ccccc21 ZINC000408939372 570082228 /nfs/dbraw/zinc/08/22/28/570082228.db2.gz RYUHWKFGQMITOX-IZXCETTPSA-N 0 0 497.617 8.406 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408939760 570082325 /nfs/dbraw/zinc/08/23/25/570082325.db2.gz UGLIECPHXQYBBJ-JTUXUYRKSA-N 0 0 477.542 5.804 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408939571 570082351 /nfs/dbraw/zinc/08/23/51/570082351.db2.gz SYKAGLUVYISYOC-NVJOKUIPSA-N 0 0 452.835 6.532 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408940458 570082400 /nfs/dbraw/zinc/08/24/00/570082400.db2.gz OAGFTUMPBWRVHH-JAPQFDORSA-N 0 0 452.598 7.370 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408940174 570082453 /nfs/dbraw/zinc/08/24/53/570082453.db2.gz NQBUPFKNYBREJY-LUFODCTDSA-N 0 0 487.441 7.733 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1OCc1ccccc1 ZINC000408940478 570082460 /nfs/dbraw/zinc/08/24/60/570082460.db2.gz OAPMGLFVLVBWSR-PWMYVOEUSA-N 0 0 486.615 7.851 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)cc1)N2 ZINC000408940498 570082504 /nfs/dbraw/zinc/08/25/04/570082504.db2.gz OBEFDFDCGASPIO-XNQIOBIHSA-N 0 0 488.606 8.290 40 30 JKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@H]54)cc3)cc2)c1 ZINC000408940542 570082531 /nfs/dbraw/zinc/08/25/31/570082531.db2.gz ODWUNOREDDYOJL-MYYMLYGESA-N 0 0 491.034 8.496 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)cc1)N2 ZINC000408940494 570082533 /nfs/dbraw/zinc/08/25/33/570082533.db2.gz OBEFDFDCGASPIO-LTJVEFDCSA-N 0 0 488.606 8.290 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408940629 570082544 /nfs/dbraw/zinc/08/25/44/570082544.db2.gz OIEUXSWJOKIIJI-XOQBKMFYSA-N 0 0 450.582 7.146 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408940708 570082587 /nfs/dbraw/zinc/08/25/87/570082587.db2.gz OOQVQVXSNQMAEG-OSWAVSARSA-N 0 0 456.589 7.982 40 30 JKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c1 ZINC000408941193 570082637 /nfs/dbraw/zinc/08/26/37/570082637.db2.gz OWJPGLVISHBJRK-BMQFKMCRSA-N 0 0 491.034 8.496 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Br)c1O ZINC000408941352 570082649 /nfs/dbraw/zinc/08/26/49/570082649.db2.gz PGDBTKFKSIBQPB-BXYIYPKISA-N 0 0 489.413 7.049 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Br)c1O ZINC000408941366 570082653 /nfs/dbraw/zinc/08/26/53/570082653.db2.gz PGDBTKFKSIBQPB-YFEJFNSASA-N 0 0 489.413 7.049 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408941243 570082663 /nfs/dbraw/zinc/08/26/63/570082663.db2.gz OZSGJENFUYXSDO-YEDSOTCOSA-N 0 0 473.016 7.633 40 30 JKEBRN Cc1cc(C=N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000252512857 570082680 /nfs/dbraw/zinc/08/26/80/570082680.db2.gz WIAGJCHPHASHGX-CTPKECNBSA-N 0 0 463.412 7.261 40 30 JKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c1 ZINC000408941195 570082694 /nfs/dbraw/zinc/08/26/94/570082694.db2.gz OWJPGLVISHBJRK-LDCJCKRGSA-N 0 0 491.034 8.496 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc(OC)c1OC ZINC000408941395 570082716 /nfs/dbraw/zinc/08/27/16/570082716.db2.gz WLMYZBVHSFRRGI-VGFAGTAPSA-N 0 0 454.570 6.598 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(OC)c1OC ZINC000408941387 570082722 /nfs/dbraw/zinc/08/27/22/570082722.db2.gz WLMYZBVHSFRRGI-DVHQXOFNSA-N 0 0 454.570 6.598 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC ZINC000408941399 570082724 /nfs/dbraw/zinc/08/27/24/570082724.db2.gz WLMYZBVHSFRRGI-ZYXXKRPKSA-N 0 0 454.570 6.598 40 30 JKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408941804 570082764 /nfs/dbraw/zinc/08/27/64/570082764.db2.gz PSCAPVDNZGYSTQ-KZIPQDMESA-N 0 0 487.043 8.105 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408942627 570082876 /nfs/dbraw/zinc/08/28/76/570082876.db2.gz ZTQNEJYYLNYVOR-ZQEIKDJDSA-N 0 0 452.598 7.451 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(Cl)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408942408 570082888 /nfs/dbraw/zinc/08/28/88/570082888.db2.gz QQJQTSGTFDHNLI-MSXFZWOLSA-N 0 0 454.870 5.798 40 30 JKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c1 ZINC000408943063 570083067 /nfs/dbraw/zinc/08/30/67/570083067.db2.gz RNIQBENJKPWQBT-LDCJCKRGSA-N 0 0 474.579 7.982 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3)cc1)N2 ZINC000408942952 570083069 /nfs/dbraw/zinc/08/30/69/570083069.db2.gz RGEOORQPUFFWFK-MQTBOSCFSA-N 0 0 470.616 8.151 40 30 JKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408942958 570083078 /nfs/dbraw/zinc/08/30/78/570083078.db2.gz RGUVJYQSXJPRGA-UNMGKNRASA-N 0 0 474.579 7.982 40 30 JKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c1 ZINC000408943055 570083094 /nfs/dbraw/zinc/08/30/94/570083094.db2.gz RNIQBENJKPWQBT-BMQFKMCRSA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000408943321 570083154 /nfs/dbraw/zinc/08/31/54/570083154.db2.gz RRXROSBMKFCVRJ-RGVLZGJSSA-N 0 0 466.331 5.896 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408943374 570083163 /nfs/dbraw/zinc/08/31/63/570083163.db2.gz SCUMPEODSFCKGL-DDEBHVINSA-N 0 0 485.425 7.591 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccccc4F)cc3)cc1)N2 ZINC000408943928 570083196 /nfs/dbraw/zinc/08/31/96/570083196.db2.gz SSOHQHQGMWPGAI-YWRRZTAVSA-N 0 0 488.606 8.290 40 30 JKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408943369 570083197 /nfs/dbraw/zinc/08/31/97/570083197.db2.gz SBYYTVQUTJFFDL-JZUREXBKSA-N 0 0 455.001 7.790 40 30 JKEBRN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000408944714 570083275 /nfs/dbraw/zinc/08/32/75/570083275.db2.gz UTUYBQADWLKTBU-OVCLIPMQSA-N 0 0 451.114 5.107 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408944670 570083278 /nfs/dbraw/zinc/08/32/78/570083278.db2.gz URARDYMXUHPSKQ-MYYMLYGESA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OCC ZINC000408945581 570083384 /nfs/dbraw/zinc/08/33/84/570083384.db2.gz WTEIJNBJXHCDEH-PTQFAUSOSA-N 0 0 487.043 8.023 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408945349 570083394 /nfs/dbraw/zinc/08/33/94/570083394.db2.gz WGLWAHPEDPZISL-ZZOVREJESA-N 0 0 470.616 8.151 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408945347 570083404 /nfs/dbraw/zinc/08/34/04/570083404.db2.gz WGLWAHPEDPZISL-VWIYFCBLSA-N 0 0 470.616 8.151 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408945137 570083414 /nfs/dbraw/zinc/08/34/14/570083414.db2.gz VYMSMKPRLOXRKF-ZMFRSBBQSA-N 0 0 498.923 6.197 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3ccc(F)cc3)cc1)N2 ZINC000408946136 570083505 /nfs/dbraw/zinc/08/35/05/570083505.db2.gz YCPUPROVVADDPG-PNPSRAFJSA-N 0 0 488.606 8.290 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@H]54)cc3)cc2)c1 ZINC000408946483 570083521 /nfs/dbraw/zinc/08/35/21/570083521.db2.gz YUAOXHHKXILIEG-MYYMLYGESA-N 0 0 474.579 7.982 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408946164 570083555 /nfs/dbraw/zinc/08/35/55/570083555.db2.gz YIFBDVXUDGVOSU-QDOCRILZSA-N 0 0 471.000 7.491 40 30 JKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408946757 570083607 /nfs/dbraw/zinc/08/36/07/570083607.db2.gz ZGBMYBCRGMEUSG-FMLIKCQESA-N 0 0 452.985 7.238 40 30 JKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408946720 570083651 /nfs/dbraw/zinc/08/36/51/570083651.db2.gz ZEFWRUGFVOTQAB-DUPLWTPRSA-N 0 0 491.034 8.496 40 30 JKEBRN Cc1cc(C)cc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c1 ZINC000408947149 570083659 /nfs/dbraw/zinc/08/36/59/570083659.db2.gz ZQRGQEYRBPKURH-BMLVBKOUSA-N 0 0 484.643 8.460 40 30 JKEBRN Cc1oc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c(C#N)c1C ZINC000408947824 570083751 /nfs/dbraw/zinc/08/37/51/570083751.db2.gz BJOKACFJFCPEQX-OPEKNORGSA-N 0 0 488.179 6.623 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Br)c(Br)o2)S1 ZINC000408949215 570083823 /nfs/dbraw/zinc/08/38/23/570083823.db2.gz ABQHMLVZDPGUGU-SDQBBNPISA-N 0 0 476.577 5.658 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc(OCC)c1OCC ZINC000408949342 570083865 /nfs/dbraw/zinc/08/38/65/570083865.db2.gz BEOLGCWOONYIAP-CJLVFECKSA-N 0 0 452.576 5.503 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408950074 570083965 /nfs/dbraw/zinc/08/39/65/570083965.db2.gz DHTBQAZBDUWLOE-HZHRSRAPSA-N 0 0 475.526 5.464 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1 ZINC000408950490 570083986 /nfs/dbraw/zinc/08/39/86/570083986.db2.gz FNNGJPVKOIXDJA-UYRXBGFRSA-N 0 0 454.349 5.140 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)S2)cc1 ZINC000408950905 570084117 /nfs/dbraw/zinc/08/41/17/570084117.db2.gz GSTXZTMEQKTRJO-PCLIKHOPSA-N 0 0 474.582 5.873 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)c1C ZINC000408952167 570084257 /nfs/dbraw/zinc/08/42/57/570084257.db2.gz KSRXPLVUZOYRHS-QPEQYQDCSA-N 0 0 456.159 5.313 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)cc1 ZINC000408952616 570084337 /nfs/dbraw/zinc/08/43/37/570084337.db2.gz LYBQBMAFAJYVSU-VQHKNURDSA-N 0 0 493.632 6.723 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)S2)cc1 ZINC000408952611 570084354 /nfs/dbraw/zinc/08/43/54/570084354.db2.gz LXVQJGIUBIDSGM-MFKUBSTISA-N 0 0 488.012 6.633 40 30 JKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408952545 570084361 /nfs/dbraw/zinc/08/43/61/570084361.db2.gz KQKJBOHRMVBHJO-OPEKNORGSA-N 0 0 484.306 5.777 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408953459 570084442 /nfs/dbraw/zinc/08/44/42/570084442.db2.gz PRNLTVINDDVAGT-RCCKNPSSSA-N 0 0 452.620 6.278 40 30 JKEBRN Brc1cc(/C=N/c2cccc(Br)c2)oc1I ZINC000408953365 570084458 /nfs/dbraw/zinc/08/44/58/570084458.db2.gz OXDKSMKQXPUCIS-GIDUJCDVSA-N 0 0 454.887 5.160 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)S2)cc1 ZINC000408954464 570084608 /nfs/dbraw/zinc/08/46/08/570084608.db2.gz TVPBHOIZQOWYCH-BUVRLJJBSA-N 0 0 478.545 5.704 40 30 JKEBRN Cc1cc(OCC(=O)N2NC(C(F)(F)C(F)(F)C(F)(F)F)=C[C@@]2(O)C(C)(C)C)ccc1Cl ZINC000408953702 570084623 /nfs/dbraw/zinc/08/46/23/570084623.db2.gz MLDQTSMHKSLWBB-MRXNPFEDSA-N 0 0 492.819 5.183 40 30 JKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000408954711 570084694 /nfs/dbraw/zinc/08/46/94/570084694.db2.gz UQVNAIQPXIVQAA-VXLYETTFSA-N 0 0 476.108 5.354 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cc(Br)c(Br)o1 ZINC000408954671 570084703 /nfs/dbraw/zinc/08/47/03/570084703.db2.gz ULRCMGCCOQFKAF-WDZFZDKYSA-N 0 0 462.550 5.350 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)SC2=Nc2ccccc2)cc1 ZINC000408955068 570084719 /nfs/dbraw/zinc/08/47/19/570084719.db2.gz VVNACKWNBHUMJD-WBLURPLBSA-N 0 0 495.604 6.299 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408955033 570084747 /nfs/dbraw/zinc/08/47/47/570084747.db2.gz VJFHQDRMVQZKIO-HZHRSRAPSA-N 0 0 475.526 5.464 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000408955400 570084834 /nfs/dbraw/zinc/08/48/34/570084834.db2.gz XBILOOSOYVFUEW-BXYLNGANSA-N 0 0 459.571 5.269 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)c(Br)o1 ZINC000408955357 570084856 /nfs/dbraw/zinc/08/48/56/570084856.db2.gz WYTJKQDMFIEFTE-YHYXMXQVSA-N 0 0 496.995 6.003 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1Cl ZINC000408955769 570084883 /nfs/dbraw/zinc/08/48/83/570084883.db2.gz ZCBCFHKGYXGRQP-WOJGMQOQSA-N 0 0 495.384 5.226 40 30 JKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc2ccccc2c1 ZINC000408955972 570085041 /nfs/dbraw/zinc/08/50/41/570085041.db2.gz ZGMHGFHMUJGOEF-FIMHLPJISA-N 0 0 492.192 6.192 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)c1C ZINC000408959590 570085294 /nfs/dbraw/zinc/08/52/94/570085294.db2.gz BODNSAABMAYAGW-KSVGNYRWSA-N 0 0 472.658 6.265 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)cc1 ZINC000408959825 570085377 /nfs/dbraw/zinc/08/53/77/570085377.db2.gz GKMGMUKIBATVSE-VTJSNHOUSA-N 0 0 485.657 5.767 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1C ZINC000408959892 570085395 /nfs/dbraw/zinc/08/53/95/570085395.db2.gz HMWIWLNCOMPRRE-KAJIUBQISA-N 0 0 464.034 6.852 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1 ZINC000408959693 570085433 /nfs/dbraw/zinc/08/54/33/570085433.db2.gz DJDYDOPOJGJHSG-CIYPEPIYSA-N 0 0 479.609 5.743 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2Cc2ccco2)cc1 ZINC000408960276 570085515 /nfs/dbraw/zinc/08/55/15/570085515.db2.gz KOWKEWASISHAHL-NARSBJQYSA-N 0 0 473.598 6.001 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1C ZINC000408960229 570085536 /nfs/dbraw/zinc/08/55/36/570085536.db2.gz JYKNESKIPNTHGJ-UUYOSTAYSA-N 0 0 484.452 7.163 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408960019 570085542 /nfs/dbraw/zinc/08/55/42/570085542.db2.gz IAWFLRHDWYFPIN-VQHKNURDSA-N 0 0 492.648 6.390 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000408960558 570085608 /nfs/dbraw/zinc/08/56/08/570085608.db2.gz GWWMLWGXKYNHEV-MHWRWJLKSA-N 0 0 481.813 7.283 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000408960495 570085619 /nfs/dbraw/zinc/08/56/19/570085619.db2.gz MIWKSNHPXDLDRS-NMSBTPMHSA-N 0 0 453.611 6.399 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Br)c1OC(C)C ZINC000408960404 570085674 /nfs/dbraw/zinc/08/56/74/570085674.db2.gz FOYZEVHGNVVIGD-XDHOZWIPSA-N 0 0 491.407 5.535 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O ZINC000408960624 570085732 /nfs/dbraw/zinc/08/57/32/570085732.db2.gz NHSFPWUMMACUFX-YRPBSLEHSA-N 0 0 467.638 6.442 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000408960677 570085762 /nfs/dbraw/zinc/08/57/62/570085762.db2.gz NQGXDOVSKQYATE-JLMJRITGSA-N 0 0 492.648 6.615 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)cc2Br)cc1 ZINC000408960570 570085809 /nfs/dbraw/zinc/08/58/09/570085809.db2.gz GXMMIPKTSJIPSY-OEAKJJBVSA-N 0 0 493.426 6.537 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000408960600 570085811 /nfs/dbraw/zinc/08/58/11/570085811.db2.gz HDEXMSFBVZBIPN-RGVLZGJSSA-N 0 0 467.381 6.164 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)S2)cc1 ZINC000408960733 570085822 /nfs/dbraw/zinc/08/58/22/570085822.db2.gz IHYVLDPTHAVVDF-WGOQTCKBSA-N 0 0 484.552 6.458 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000408961037 570085889 /nfs/dbraw/zinc/08/58/89/570085889.db2.gz QDUBFOUHAIOXRD-GGNNGZDKSA-N 0 0 498.608 5.949 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C ZINC000408961379 570085973 /nfs/dbraw/zinc/08/59/73/570085973.db2.gz SHFMAQMIYUTSOU-BKUYFWCQSA-N 0 0 484.452 7.163 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1OCc1ccccc1 ZINC000408961278 570086078 /nfs/dbraw/zinc/08/60/78/570086078.db2.gz MDAZZUPKMDNKTO-NLRVBDNBSA-N 0 0 484.621 6.593 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)c1C ZINC000408961749 570086124 /nfs/dbraw/zinc/08/61/24/570086124.db2.gz VEEYEHOVOFPXDF-VYKPKEDGSA-N 0 0 487.625 5.985 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408961794 570086168 /nfs/dbraw/zinc/08/61/68/570086168.db2.gz FDPAGLIWKWRTCG-MFKUBSTISA-N 0 0 498.564 5.806 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408962128 570086340 /nfs/dbraw/zinc/08/63/40/570086340.db2.gz QEBCTTJVOHJCQX-AFUMVMLFSA-N 0 0 466.541 5.900 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)S2)cc1 ZINC000408962349 570086356 /nfs/dbraw/zinc/08/63/56/570086356.db2.gz HQGUGIKVABQDKM-OEAKJJBVSA-N 0 0 464.518 5.314 40 30 JKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 ZINC000408962232 570086362 /nfs/dbraw/zinc/08/63/62/570086362.db2.gz RDGCCKRSIOMAES-KOEQRZSOSA-N 0 0 474.630 5.841 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)c1C ZINC000408962225 570086394 /nfs/dbraw/zinc/08/63/94/570086394.db2.gz XLAIVPXOSHFDQD-FOCGQHGPSA-N 0 0 499.680 6.748 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)S2)cc1 ZINC000408962804 570086479 /nfs/dbraw/zinc/08/64/79/570086479.db2.gz VGQDQIXRXQFJFY-YBFXNURJSA-N 0 0 489.778 6.263 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000408962527 570086544 /nfs/dbraw/zinc/08/65/44/570086544.db2.gz SRRKLZQAYMREPN-PCLIKHOPSA-N 0 0 488.584 6.342 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)S2)cc1 ZINC000408962542 570086553 /nfs/dbraw/zinc/08/65/53/570086553.db2.gz SXLAKUDETNAQMG-WGOQTCKBSA-N 0 0 495.560 6.527 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408963251 570086662 /nfs/dbraw/zinc/08/66/62/570086662.db2.gz BCJUJSPIWJIVME-FYJGNVAPSA-N 0 0 483.362 6.059 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1OC(C)C ZINC000408962980 570086675 /nfs/dbraw/zinc/08/66/75/570086675.db2.gz WQXKAHKPUKZLSU-LICLKQGHSA-N 0 0 465.344 5.276 40 30 JKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)c1C ZINC000408963154 570086678 /nfs/dbraw/zinc/08/66/78/570086678.db2.gz AIZZYIWDDVJQGE-OEAKJJBVSA-N 0 0 475.570 5.089 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)S2)cc1 ZINC000408963581 570086730 /nfs/dbraw/zinc/08/67/30/570086730.db2.gz CJSVNEXGGFWILM-MFKUBSTISA-N 0 0 471.557 6.037 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O[C@H](C)CC ZINC000408963450 570086758 /nfs/dbraw/zinc/08/67/58/570086758.db2.gz BRDFRPKZOXEMCD-MBNTZHJCSA-N 0 0 499.847 7.114 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1O[C@@H](C)CC ZINC000408963609 570086793 /nfs/dbraw/zinc/08/67/93/570086793.db2.gz CTAJTXOZBOGSJM-NPRIEWAGSA-N 0 0 489.435 6.225 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)c2C)cc1 ZINC000408963309 570086802 /nfs/dbraw/zinc/08/68/02/570086802.db2.gz YZMDUOUDGIDYIV-HZHRSRAPSA-N 0 0 498.479 7.635 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)S2)cc1 ZINC000408963505 570086810 /nfs/dbraw/zinc/08/68/10/570086810.db2.gz BZMOFLIJKDCFNS-LDADJPATSA-N 0 0 471.401 6.393 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408964044 570086844 /nfs/dbraw/zinc/08/68/44/570086844.db2.gz FIWXVNWKEFKDCP-BUVRLJJBSA-N 0 0 478.545 5.704 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000408964017 570086859 /nfs/dbraw/zinc/08/68/59/570086859.db2.gz FESYMMCAVKEFBG-LICLKQGHSA-N 0 0 494.197 6.908 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408964456 570086961 /nfs/dbraw/zinc/08/69/61/570086961.db2.gz HBGGOZGZDLQBKQ-SRZZPIQSSA-N 0 0 456.398 6.601 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)S2)cc1 ZINC000408964886 570087107 /nfs/dbraw/zinc/08/71/07/570087107.db2.gz IGIDMUQFGOHDQE-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408964857 570087111 /nfs/dbraw/zinc/08/71/11/570087111.db2.gz HYYJROZGQSMQEU-MHWRWJLKSA-N 0 0 467.761 5.559 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)c1 ZINC000408964827 570087114 /nfs/dbraw/zinc/08/71/14/570087114.db2.gz SQRIAVKENBOWFJ-HZHRSRAPSA-N 0 0 459.571 5.471 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCCCC2 ZINC000408964696 570087141 /nfs/dbraw/zinc/08/71/41/570087141.db2.gz ZAXWIRZOHMGNFQ-CVKSISIWSA-N 0 0 483.431 6.878 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)S2)cc1 ZINC000408965688 570087335 /nfs/dbraw/zinc/08/73/35/570087335.db2.gz LNIYWCDJIPRGGI-WSDLNYQXSA-N 0 0 485.392 6.473 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc4c(c3)OCO4)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965830 570087359 /nfs/dbraw/zinc/08/73/59/570087359.db2.gz IXDSLPRXTDCCDC-NBIRMSOCSA-N 0 0 487.625 6.354 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408965835 570087397 /nfs/dbraw/zinc/08/73/97/570087397.db2.gz MKHWRRWBMYRGPW-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1C ZINC000408966093 570087473 /nfs/dbraw/zinc/08/74/73/570087473.db2.gz JVUINIOUMDLCHQ-UCQKPKSFSA-N 0 0 450.007 6.510 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408966209 570087490 /nfs/dbraw/zinc/08/74/90/570087490.db2.gz NRWKVTXMYCOKMX-OEAKJJBVSA-N 0 0 479.001 6.436 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408966122 570087500 /nfs/dbraw/zinc/08/75/00/570087500.db2.gz MWYWBJUOKKXYRL-SRZZPIQSSA-N 0 0 473.356 6.603 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408966082 570087511 /nfs/dbraw/zinc/08/75/11/570087511.db2.gz MSLVTUQWBAHMEN-UDWIEESQSA-N 0 0 473.392 5.613 40 30 JKEBRN CC(C)(C)c1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(C(C)(C)C)c1O ZINC000408966135 570087556 /nfs/dbraw/zinc/08/75/56/570087556.db2.gz MYECHGAJBIMFRI-LDADJPATSA-N 0 0 477.457 7.186 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966710 570087606 /nfs/dbraw/zinc/08/76/06/570087606.db2.gz NBGKIRFWPNCSDK-LGSKZASQSA-N 0 0 471.670 7.242 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1C ZINC000408966515 570087626 /nfs/dbraw/zinc/08/76/26/570087626.db2.gz LZZAXQBDKANLSD-HMAPJEAMSA-N 0 0 480.431 6.311 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 ZINC000408966709 570087632 /nfs/dbraw/zinc/08/76/32/570087632.db2.gz QBDPJTXPSRRAQV-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2C)c1 ZINC000408966377 570087634 /nfs/dbraw/zinc/08/76/34/570087634.db2.gz LGTMKCZCRRJOBC-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000408966526 570087643 /nfs/dbraw/zinc/08/76/43/570087643.db2.gz MBERHXDVCLLEOD-MTDXEUNCSA-N 0 0 455.583 7.467 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1Cl ZINC000408966673 570087667 /nfs/dbraw/zinc/08/76/67/570087667.db2.gz PTMMXRARYZVHKO-YBFXNURJSA-N 0 0 476.816 6.946 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)c2C)c1 ZINC000408967072 570087774 /nfs/dbraw/zinc/08/77/74/570087774.db2.gz PSQHELRLMLXSMU-MLSYBWHESA-N 0 0 459.571 5.505 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967127 570087856 /nfs/dbraw/zinc/08/78/56/570087856.db2.gz PXFQYDSOMHDDKW-MYYYXRDXSA-N 0 0 452.583 6.151 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)c1 ZINC000408967215 570087861 /nfs/dbraw/zinc/08/78/61/570087861.db2.gz QWXIZDTUGWPHHZ-QFEZKATASA-N 0 0 486.353 5.934 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)c1 ZINC000408967237 570087869 /nfs/dbraw/zinc/08/78/69/570087869.db2.gz PKKXJWMNFJKYIY-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)c1 ZINC000408967532 570087967 /nfs/dbraw/zinc/08/79/67/570087967.db2.gz QSOFVTQBICJXAE-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408967657 570087986 /nfs/dbraw/zinc/08/79/86/570087986.db2.gz WLBAFNFXPJKSTN-HYARGMPZSA-N 0 0 461.499 5.074 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2C)c1 ZINC000408967692 570087999 /nfs/dbraw/zinc/08/79/99/570087999.db2.gz RSUGLXCSCWIZND-IWIPYMOSSA-N 0 0 473.598 5.779 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1C ZINC000408967571 570088022 /nfs/dbraw/zinc/08/80/22/570088022.db2.gz RAKTVEGSMOMHJK-XMQVWRILSA-N 0 0 481.621 7.054 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408967815 570088091 /nfs/dbraw/zinc/08/80/91/570088091.db2.gz XKPUXNRXGPBNDF-WSDLNYQXSA-N 0 0 479.489 5.213 40 30 JKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)c(C)c1 ZINC000408968137 570088099 /nfs/dbraw/zinc/08/80/99/570088099.db2.gz ZPUPIRUZYHBTPV-YBFXNURJSA-N 0 0 487.364 6.240 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccccc1 ZINC000408967820 570088107 /nfs/dbraw/zinc/08/81/07/570088107.db2.gz SIBHJQLNNQRORF-KCZILUFYSA-N 0 0 471.670 7.406 40 30 JKEBRN Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968176 570088118 /nfs/dbraw/zinc/08/81/18/570088118.db2.gz WYLDRKIMTBIZOT-QFEZKATASA-N 0 0 451.311 5.998 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)S2)cc1 ZINC000408967999 570088120 /nfs/dbraw/zinc/08/81/20/570088120.db2.gz YKFJEGVQPDEPSO-HYARGMPZSA-N 0 0 495.398 5.928 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408968025 570088132 /nfs/dbraw/zinc/08/81/32/570088132.db2.gz YSOXZJSSROKJHI-PCLIKHOPSA-N 0 0 454.526 6.450 40 30 JKEBRN Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968843 570088366 /nfs/dbraw/zinc/08/83/66/570088366.db2.gz ZQRINUKVNSHVNG-MYYYXRDXSA-N 0 0 456.371 6.747 40 30 JKEBRN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408969874 570088523 /nfs/dbraw/zinc/08/85/23/570088523.db2.gz WBQZOQVNULKNFK-MOSHPQCFSA-N 0 0 494.542 6.255 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c2ccccc2n1C ZINC000408970080 570088589 /nfs/dbraw/zinc/08/85/89/570088589.db2.gz ADJLZMRBSWWXPN-FDAWAROLSA-N 0 0 483.681 7.827 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCCCC2 ZINC000408970117 570088593 /nfs/dbraw/zinc/08/85/93/570088593.db2.gz AZMSRINJMWTYEJ-WGOQTCKBSA-N 0 0 467.432 7.173 40 30 JKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC ZINC000408970069 570088610 /nfs/dbraw/zinc/08/86/10/570088610.db2.gz ZTCNLHUHRXVMMV-TWKHWXDSSA-N 0 0 490.669 7.598 40 30 JKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC ZINC000408969957 570088611 /nfs/dbraw/zinc/08/86/11/570088611.db2.gz XTDXAGXBPPNSHG-VUTHCHCSSA-N 0 0 474.626 6.983 40 30 JKEBRN COC(=O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408970591 570088708 /nfs/dbraw/zinc/08/87/08/570088708.db2.gz IXEGWEGDEHVJGY-OGLMXYFKSA-N 0 0 476.598 5.962 40 30 JKEBRN CC(C)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408971378 570088795 /nfs/dbraw/zinc/08/87/95/570088795.db2.gz NLGMFTYZVGWHIN-RDRPBHBLSA-N 0 0 460.643 7.445 40 30 JKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC ZINC000408971862 570088875 /nfs/dbraw/zinc/08/88/75/570088875.db2.gz MOFMSDRGUCDKJW-VUTHCHCSSA-N 0 0 476.642 7.207 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OC)c1OC ZINC000408972138 570088890 /nfs/dbraw/zinc/08/88/90/570088890.db2.gz SOWZKCXDKYJUQR-OGLMXYFKSA-N 0 0 478.614 6.436 40 30 JKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC ZINC000408972675 570089000 /nfs/dbraw/zinc/08/90/00/570089000.db2.gz QOHLFKCJTLYJQY-TWKHWXDSSA-N 0 0 490.669 7.598 40 30 JKEBRN CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408972302 570089019 /nfs/dbraw/zinc/08/90/19/570089019.db2.gz PAZRZEZDHBOKFS-MTDXEUNCSA-N 0 0 460.599 6.587 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c3c(sc2/N=C/c2ccc(OCC#N)cc2)CCCCCC3)c1 ZINC000408972279 570089022 /nfs/dbraw/zinc/08/90/22/570089022.db2.gz OTISFWVMDKEDPQ-UXHLAJHPSA-N 0 0 471.626 6.929 40 30 JKEBRN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408972513 570089054 /nfs/dbraw/zinc/08/90/54/570089054.db2.gz UTKZOZDHBPVKJG-RDRPBHBLSA-N 0 0 490.625 6.352 40 30 JKEBRN Cc1ccc(-c2nc(N=NC(C)c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408973438 570089204 /nfs/dbraw/zinc/08/92/04/570089204.db2.gz AVLLOSZSUZKDKH-WPWMEQJKSA-N 0 0 487.541 6.746 40 30 JKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1 ZINC000408973544 570089206 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CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008605 570098751 /nfs/dbraw/zinc/09/87/51/570098751.db2.gz YONBVWNHYPIQSS-YSMPRRRNSA-N 0 0 460.559 5.467 40 30 JKEBRN CC(C)Oc1ccccc1/C=C1/S/C(=N\c2ccc(Br)c(Cl)c2)N(C)C1=O ZINC000409008740 570098755 /nfs/dbraw/zinc/09/87/55/570098755.db2.gz DIPIGNJUOGJWCI-HPGAWOKTSA-N 0 0 465.800 6.124 40 30 JKEBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409008945 570098870 /nfs/dbraw/zinc/09/88/70/570098870.db2.gz AOZVQWQRZXSJJJ-LPYMAVHISA-N 0 0 473.916 5.287 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000409009106 570098957 /nfs/dbraw/zinc/09/89/57/570098957.db2.gz BJVJVCXCYCQYME-SSDVNMTOSA-N 0 0 496.325 5.676 40 30 JKEBRN O=S(=O)(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1 ZINC000409009050 570098988 /nfs/dbraw/zinc/09/89/88/570098988.db2.gz SFOYKEOSGMMCAE-ZVHZXABRSA-N 0 0 453.520 5.163 40 30 JKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)c1c(F)cccc1F ZINC000409009611 570099072 /nfs/dbraw/zinc/09/90/72/570099072.db2.gz GVTNOZNQBBYKMV-KKMKTNMSSA-N 0 0 469.900 6.407 40 30 JKEBRN O=S(=O)(Oc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000409009886 570099184 /nfs/dbraw/zinc/09/91/84/570099184.db2.gz CHGMYGQPMPKRES-TWKHWXDSSA-N 0 0 497.551 6.197 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409010018 570099237 /nfs/dbraw/zinc/09/92/37/570099237.db2.gz CZVWNZCPUXADGG-PMVOYJCMSA-N 0 0 464.816 5.792 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409009696 570099241 /nfs/dbraw/zinc/09/92/41/570099241.db2.gz HNPIWOIWVBDXPX-SITPEIFSSA-N 0 0 499.560 5.130 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c(C)c1 ZINC000409010588 570099406 /nfs/dbraw/zinc/09/94/06/570099406.db2.gz CJRQUUUEWMVFJQ-STBIYBPSSA-N 0 0 460.643 7.344 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409010705 570099408 /nfs/dbraw/zinc/09/94/08/570099408.db2.gz 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Cc1cccc(NC(=O)c2c(/N=C/c3cccc4ccccc34)sc3c2CCCCCC3)c1C ZINC000409012077 570099901 /nfs/dbraw/zinc/09/99/01/570099901.db2.gz HLXPJAHVRUCWKU-ZCTHSVRISA-N 0 0 466.650 8.180 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409012755 570100066 /nfs/dbraw/zinc/10/00/66/570100066.db2.gz KLCKXQAPQQPHCA-LSPPGFKNSA-N 0 0 476.598 6.099 40 30 JKEBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409013133 570100147 /nfs/dbraw/zinc/10/01/47/570100147.db2.gz MOXTVWVWCWAJCL-XLTHYULKSA-N 0 0 471.376 5.735 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409013099 570100161 /nfs/dbraw/zinc/10/01/61/570100161.db2.gz MIFWLLRESIUGLQ-HAFIMRKLSA-N 0 0 496.585 6.136 40 30 JKEBRN CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409013242 570100181 /nfs/dbraw/zinc/10/01/81/570100181.db2.gz MRWYLWFCEKHJRP-YYZJCZGKSA-N 0 0 451.729 5.065 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1 ZINC000409013533 570100272 /nfs/dbraw/zinc/10/02/72/570100272.db2.gz KPZDHLCJMKOFQF-WKULSOCRSA-N 0 0 485.480 8.334 40 30 JKEBRN COC(=O)c1ccc(N=C2S/C(=C\c3cccn3-c3cccc(Br)c3)C(=O)N2C)cc1 ZINC000409013806 570100363 /nfs/dbraw/zinc/10/03/63/570100363.db2.gz VVEBXXHSGSIDMH-VASVRFFCSA-N 0 0 496.386 5.260 40 30 JKEBRN Cc1cc(I)ccc1/N=C\c1cccn1-c1cccc(Br)c1 ZINC000409013664 570100384 /nfs/dbraw/zinc/10/03/84/570100384.db2.gz NEOWNGQYHBQNON-MTJSOVHGSA-N 0 0 465.132 5.903 40 30 JKEBRN COc1cc(/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)ccc1OC(F)F ZINC000253497873 570100407 /nfs/dbraw/zinc/10/04/07/570100407.db2.gz XZKODYJGBRLCAU-KKWZBMOOSA-N 0 0 472.572 6.183 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(N=Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000253497854 570100424 /nfs/dbraw/zinc/10/04/24/570100424.db2.gz REMKSAJXPGKXIJ-MZBIODGWSA-N 0 0 470.570 5.675 40 30 JKEBRN COc1cc(/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)ccc1OC(F)F ZINC000253497874 570100436 /nfs/dbraw/zinc/10/04/36/570100436.db2.gz XZKODYJGBRLCAU-NISUGLGRSA-N 0 0 472.572 6.183 40 30 JKEBRN COc1cc(/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)ccc1OC(F)F ZINC000253497876 570100441 /nfs/dbraw/zinc/10/04/41/570100441.db2.gz XZKODYJGBRLCAU-WTNAUNFBSA-N 0 0 472.572 6.183 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc4ccccc34)sc3c2CCCCCC3)c1 ZINC000409014095 570100473 /nfs/dbraw/zinc/10/04/73/570100473.db2.gz MBJAJOCROZWQKW-ZCTHSVRISA-N 0 0 466.650 8.180 40 30 JKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3c(O)ccc4ccccc43)sc3c2CCCCCC3)cc1C ZINC000409014104 570100545 /nfs/dbraw/zinc/10/05/45/570100545.db2.gz MBVFQHPTFUSDGX-FDAWAROLSA-N 0 0 482.649 7.886 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000409014497 570100608 /nfs/dbraw/zinc/10/06/08/570100608.db2.gz PTYCFPZUXKXTOX-AFNNNTNCSA-N 0 0 463.002 7.326 40 30 JKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1 ZINC000409014580 570100672 /nfs/dbraw/zinc/10/06/72/570100672.db2.gz NCOIYEZUAILKPO-WKULSOCRSA-N 0 0 485.480 8.334 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253498777 570100743 /nfs/dbraw/zinc/10/07/43/570100743.db2.gz VATQYYFSJMNJAL-YHNZLWFKSA-N 0 0 482.749 7.775 40 30 biogenic JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1OCC ZINC000409014883 570100870 /nfs/dbraw/zinc/10/08/70/570100870.db2.gz QNNBHWOJMHEGSO-NGIYOEEDSA-N 0 0 495.826 6.134 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)c1 ZINC000409015167 570100919 /nfs/dbraw/zinc/10/09/19/570100919.db2.gz OBIJLXZYSPJPDD-WKULSOCRSA-N 0 0 485.480 8.334 40 30 JKEBRN CCOc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409015309 570100922 /nfs/dbraw/zinc/10/09/22/570100922.db2.gz ZLKYZOINPYWMSI-OGLMXYFKSA-N 0 0 454.530 5.405 40 30 JKEBRN Cc1cc(C)cc(NC(=O)c2c3c(sc2/N=C/c2c[nH]c4ccccc24)CCCCCC3)c1 ZINC000409015327 570100954 /nfs/dbraw/zinc/10/09/54/570100954.db2.gz OQTSBACUYJAPBZ-OCSSWDANSA-N 0 0 455.627 7.508 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000409015763 570101043 /nfs/dbraw/zinc/10/10/43/570101043.db2.gz FGCMHLGLLGBWOA-GCNWNYGFSA-N 0 0 471.538 5.589 40 30 JKEBRN Brc1cccc(-n2cccc2/C=N\c2ccc(I)cc2)c1 ZINC000409015566 570101074 /nfs/dbraw/zinc/10/10/74/570101074.db2.gz RNCJXRHYUAKOAZ-NDENLUEZSA-N 0 0 451.105 5.595 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c(OC)c1 ZINC000409015928 570101209 /nfs/dbraw/zinc/10/12/09/570101209.db2.gz PQOMZLBANISODX-STBIYBPSSA-N 0 0 476.642 7.044 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1CCCc1ccccc1 ZINC000409015889 570101222 /nfs/dbraw/zinc/10/12/22/570101222.db2.gz CFYVWGBMRMMXNK-CQFHQSLKSA-N 0 0 482.580 7.323 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)c1 ZINC000409016679 570101278 /nfs/dbraw/zinc/10/12/78/570101278.db2.gz RFLCIJMASBURAK-LQKURTRISA-N 0 0 495.486 7.789 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409018102 570101888 /nfs/dbraw/zinc/10/18/88/570101888.db2.gz XJCYQEHAFHJQFJ-CAUNFOBBSA-N 0 0 472.006 6.491 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409018104 570101959 /nfs/dbraw/zinc/10/19/59/570101959.db2.gz XJCYQEHAFHJQFJ-SITPEIFSSA-N 0 0 472.006 6.491 40 30 JKEBRN COc1cccc(/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)c1OC(C)C ZINC000409018584 570102083 /nfs/dbraw/zinc/10/20/83/570102083.db2.gz HTYHIAMFSMEDMG-XMIRZNSJSA-N 0 0 465.619 5.707 40 30 JKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc1 ZINC000409018289 570102121 /nfs/dbraw/zinc/10/21/21/570102121.db2.gz UKRXNDGAVPSEBR-VUTHCHCSSA-N 0 0 456.611 6.730 40 30 JKEBRN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 ZINC000409018262 570102127 /nfs/dbraw/zinc/10/21/27/570102127.db2.gz SQKRTRXLBDAVTC-NDMCFCFYSA-N 0 0 457.511 5.229 40 30 JKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501215 570102460 /nfs/dbraw/zinc/10/24/60/570102460.db2.gz XUDTWJGGQFHXCR-LKWIWMRNSA-N 0 0 484.765 7.568 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409019699 570102552 /nfs/dbraw/zinc/10/25/52/570102552.db2.gz KFKRJBFPWLYVML-VIBWIADVSA-N 0 0 459.011 6.158 40 30 JKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC ZINC000409019424 570102570 /nfs/dbraw/zinc/10/25/70/570102570.db2.gz SMRZSXRMSIBDLH-UNOMPAQXSA-N 0 0 453.922 5.099 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1[N+](=O)[O-] ZINC000409020072 570102598 /nfs/dbraw/zinc/10/25/98/570102598.db2.gz YXNPAUCZJJXTIN-LQKURTRISA-N 0 0 491.613 6.944 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409019963 570102660 /nfs/dbraw/zinc/10/26/60/570102660.db2.gz LCLQBQXVBACLAP-ZGNGNRKCSA-N 0 0 481.799 5.744 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c(OC)c1 ZINC000409020212 570102726 /nfs/dbraw/zinc/10/27/26/570102726.db2.gz ZWEJFGFNDDGFBD-STBIYBPSSA-N 0 0 476.642 7.044 40 30 JKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3cccc(Br)c3)S2)cc1 ZINC000409020726 570102832 /nfs/dbraw/zinc/10/28/32/570102832.db2.gz SMTINAXHUOJJQV-ZHZULCJRSA-N 0 0 452.377 5.694 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000409020733 570102841 /nfs/dbraw/zinc/10/28/41/570102841.db2.gz SPIRLYUIIZZCJH-YMTQWUKOSA-N 0 0 454.526 6.890 40 30 JKEBRN CCOc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409020788 570102913 /nfs/dbraw/zinc/10/29/13/570102913.db2.gz TYAKHUBGOZVXCV-NJZRLIGZSA-N 0 0 479.580 6.583 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccccc1 ZINC000409021311 570103026 /nfs/dbraw/zinc/10/30/26/570103026.db2.gz AVPGKWOMHWVZFZ-LJVHWXJXSA-N 0 0 487.071 6.803 40 30 JKEBRN CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000409021434 570103130 /nfs/dbraw/zinc/10/31/30/570103130.db2.gz HHJFSSGDAJOMFC-MMKHHPBPSA-N 0 0 458.587 5.407 40 30 JKEBRN Cc1cc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)ccc1I ZINC000409022410 570103416 /nfs/dbraw/zinc/10/34/16/570103416.db2.gz NOLTVUPAUBRKSE-NHDPSOOVSA-N 0 0 469.800 7.216 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccc6ccccc6c5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253536042 570103547 /nfs/dbraw/zinc/10/35/47/570103547.db2.gz DZYXGWASXRYMFK-XKCRRQNXSA-N 0 0 468.637 7.297 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5C5CCCC5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253536123 570103552 /nfs/dbraw/zinc/10/35/52/570103552.db2.gz IUQOQCYGGODQPC-BMFUTQCNSA-N 0 0 476.661 6.455 40 30 JKEBRN Cc1ccc(C(=O)O/N=C2/c3ccccc3/C(=N\OC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000253565909 570103792 /nfs/dbraw/zinc/10/37/92/570103792.db2.gz IIHJKKDDHIUILE-MSZUZGNFSA-N 0 0 488.543 6.223 40 30 JKEBRN Cc1ccc(C(=O)O/N=C2/c3ccccc3/C(=N\OC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000253565908 570103810 /nfs/dbraw/zinc/10/38/10/570103810.db2.gz IIHJKKDDHIUILE-DKHYXXOUSA-N 0 0 488.543 6.223 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)S2)c1 ZINC000409023883 570103862 /nfs/dbraw/zinc/10/38/62/570103862.db2.gz MCRDGYQFOPKZHN-UNOMPAQXSA-N 0 0 457.045 7.061 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000253576787 570103878 /nfs/dbraw/zinc/10/38/78/570103878.db2.gz WGUTWPDSOVDTBX-UHFFFAOYSA-N 0 0 486.622 5.965 40 30 JKEBRN C[C@]1(C(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)[C@]1(C#N)C(=O)NC1CCCCC1 ZINC000253589471 570103980 /nfs/dbraw/zinc/10/39/80/570103980.db2.gz GGPNKKQYLMBZMM-NQHRYMMQSA-N 0 0 465.391 5.394 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409024510 570104022 /nfs/dbraw/zinc/10/40/22/570104022.db2.gz ZUOYLOPXSDAMBY-BOPFTXTBSA-N 0 0 463.436 7.098 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000409024614 570104026 /nfs/dbraw/zinc/10/40/26/570104026.db2.gz GMMPFFFVLOQEEO-LQKURTRISA-N 0 0 471.582 6.491 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000409025447 570104181 /nfs/dbraw/zinc/10/41/81/570104181.db2.gz VCUMVXNJXJIASH-RUMWWMSVSA-N 0 0 487.559 6.826 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000409025715 570104374 /nfs/dbraw/zinc/10/43/74/570104374.db2.gz ZLHKASPSGBIDHD-RWPZCVJISA-N 0 0 492.000 6.836 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C=C(C#Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609322 570104545 /nfs/dbraw/zinc/10/45/45/570104545.db2.gz NYPBNWJYMDPZBY-OWDMPWPXSA-N 0 0 484.768 8.875 40 30 JKEBRN CCOc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000409026997 570104704 /nfs/dbraw/zinc/10/47/04/570104704.db2.gz OHHURRYALROSQC-WEMUVCOSSA-N 0 0 487.559 6.908 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000409026765 570104709 /nfs/dbraw/zinc/10/47/09/570104709.db2.gz XOSRWQXSXZEWMQ-CVKSISIWSA-N 0 0 488.525 5.782 40 30 JKEBRN C=CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253617947 570105119 /nfs/dbraw/zinc/10/51/19/570105119.db2.gz AHMMSNQYOPMLSX-PWKSFPCTSA-N 0 0 452.679 7.513 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@](C#Cc5ccccc5)(OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617113 570105139 /nfs/dbraw/zinc/10/51/39/570105139.db2.gz HPWYYZWSCXJYCP-PNJMKJAYSA-N 0 0 476.657 6.314 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000253617050 570105145 /nfs/dbraw/zinc/10/51/45/570105145.db2.gz LNPBGIMDMAMUHR-DOBUFUSRSA-N 0 0 458.568 6.804 40 30 JKEBRN C=CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253617946 570105154 /nfs/dbraw/zinc/10/51/54/570105154.db2.gz AHMMSNQYOPMLSX-AQLXEWHVSA-N 0 0 452.679 7.513 40 30 JKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1cccc(Cl)c1 ZINC000409029458 570105499 /nfs/dbraw/zinc/10/54/99/570105499.db2.gz ABQUOKQZHYOXNN-OXUBWTJQSA-N 0 0 458.761 5.642 40 30 JKEBRN CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(C(F)(F)F)c(F)c3F)N=C2C)c2cc(C)ccc21 ZINC000409029754 570105601 /nfs/dbraw/zinc/10/56/01/570105601.db2.gz AXZYXTCCJIBODT-UKTHLTGXSA-N 0 0 497.414 6.659 40 30 JKEBRN Fc1ccc(CSc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)cc1 ZINC000409029655 570105613 /nfs/dbraw/zinc/10/56/13/570105613.db2.gz CGSOQMJYUPJLEI-OHUIHDMLSA-N 0 0 478.408 6.985 40 30 JKEBRN Fc1cccc(COc2c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2Cl)c1 ZINC000409029465 570105621 /nfs/dbraw/zinc/10/56/21/570105621.db2.gz ADTDTBYTBKYQER-SBXMUCCLSA-N 0 0 481.170 6.425 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(C)c1 ZINC000409030570 570105699 /nfs/dbraw/zinc/10/56/99/570105699.db2.gz DVSOWNUIVMQEGL-FXMZOFOKSA-N 0 0 452.370 5.687 40 30 JKEBRN O=[N+]([O-])c1cc(-c2ccc(C=NNC(F)(F)C(F)(F)C(F)(F)F)o2)c(Cl)cc1Cl ZINC000409030475 570105703 /nfs/dbraw/zinc/10/57/03/570105703.db2.gz DLIJQASYABDJPO-ZRJGMHBZSA-N 0 0 468.112 5.876 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409031435 570105882 /nfs/dbraw/zinc/10/58/82/570105882.db2.gz AQAWAUYOKRCCSJ-FLUNURKVSA-N 0 0 463.180 6.286 40 30 JKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000409031697 570105926 /nfs/dbraw/zinc/10/59/26/570105926.db2.gz KGZHDOBVEORWRC-BIZUNTBRSA-N 0 0 466.028 7.644 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409032124 570105968 /nfs/dbraw/zinc/10/59/68/570105968.db2.gz IYDXTOZLIYMAES-NCAUGAEKSA-N 0 0 483.340 5.286 40 30 JKEBRN Fc1ccccc1CSc1ccc(C=NNC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409032634 570106044 /nfs/dbraw/zinc/10/60/44/570106044.db2.gz KEIJABNAHFAMFP-OHUIHDMLSA-N 0 0 478.408 6.985 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC#N ZINC000409032532 570106049 /nfs/dbraw/zinc/10/60/49/570106049.db2.gz CKJIPLYHNHARCL-IZZDOVSWSA-N 0 0 485.796 5.143 40 30 JKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1Cl ZINC000409032732 570106087 /nfs/dbraw/zinc/10/60/87/570106087.db2.gz MZCBROZEJWCPBR-VYVUJPJFSA-N 0 0 465.800 6.365 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 ZINC000254752470 570106210 /nfs/dbraw/zinc/10/62/10/570106210.db2.gz MKWBKTNNYMUMAJ-QIRJLWBSSA-N 0 0 451.567 5.209 40 30 JKEBRN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 ZINC000409035385 570106443 /nfs/dbraw/zinc/10/64/43/570106443.db2.gz PSRMGSSVKCMUNK-TXNBCWFRSA-N 0 0 478.118 5.331 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1Cl ZINC000409035152 570106489 /nfs/dbraw/zinc/10/64/89/570106489.db2.gz IYGSTDGDJBHQBT-KYMQWJLESA-N 0 0 468.800 6.361 40 30 JKEBRN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409036381 570106709 /nfs/dbraw/zinc/10/67/09/570106709.db2.gz VWGKOBCWBHVSPA-UHFFFAOYSA-N 0 0 466.578 5.317 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Br)c1OCC(F)(F)F ZINC000409036789 570106727 /nfs/dbraw/zinc/10/67/27/570106727.db2.gz BMJIAKHGQLCFAG-UJOWUYHQSA-N 0 0 495.111 5.113 40 30 JKEBRN Fc1ccccc1COc1ccc(Br)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409037737 570106884 /nfs/dbraw/zinc/10/68/84/570106884.db2.gz YVMQYIMNCLIKMF-PZOKPFNQSA-N 0 0 491.176 5.881 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409037438 570106784 /nfs/dbraw/zinc/10/67/84/570106784.db2.gz CKLCSZXINKGAJJ-OYKKKHCWSA-N 0 0 492.666 6.122 40 30 JKEBRN O=C1CCCC2=C1C(c1cc(Br)cc(Br)c1O)C1=C(CCCC1=O)O2 ZINC000409036976 570106803 /nfs/dbraw/zinc/10/68/03/570106803.db2.gz CCRLKCBCHVPYEA-UHFFFAOYSA-N 0 0 468.141 5.045 40 30 JKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/C3=C[C@@H](OC)[C@@H](OCc4ccccc4Cl)C=C3)S2)cc1 ZINC000256055842 570107050 /nfs/dbraw/zinc/10/70/50/570107050.db2.gz WGNOODYMSXCBRC-QFIHKRDUSA-N 0 0 481.017 5.733 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2Br)c1 ZINC000409039207 570107066 /nfs/dbraw/zinc/10/70/66/570107066.db2.gz WPPAWNZCGAVYHD-PZOKPFNQSA-N 0 0 491.176 5.881 40 30 JKEBRN CCOc1c(Br)cc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409039336 570107106 /nfs/dbraw/zinc/10/71/06/570107106.db2.gz GGRVBNJWNJXBPP-RREIPUBJSA-N 0 0 490.011 5.324 40 30 JKEBRN CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257173243 570107197 /nfs/dbraw/zinc/10/71/97/570107197.db2.gz HMHVRHXNTPHLFZ-JQTRTAATSA-N 0 0 460.615 5.411 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2Cl)c1 ZINC000409040314 570107302 /nfs/dbraw/zinc/10/73/02/570107302.db2.gz YGQYYYSWIZKEIC-IJFXDBOGSA-N 0 0 477.207 6.595 40 30 JKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21 ZINC000409040468 570107335 /nfs/dbraw/zinc/10/73/35/570107335.db2.gz YCIVRBIRGNEYAH-XNTDXEJSSA-N 0 0 459.418 5.946 40 30 JKEBRN CC(C)COc1c(Br)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000409041445 570107641 /nfs/dbraw/zinc/10/76/41/570107641.db2.gz VYRJEGUREIRAFS-MUDSWDHVSA-N 0 0 484.166 5.106 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccccc1F ZINC000409041690 570107643 /nfs/dbraw/zinc/10/76/43/570107643.db2.gz JEDHLTSHXVOAIE-IJFXDBOGSA-N 0 0 476.751 5.781 40 30 JKEBRN FC(F)(F)COc1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1Br ZINC000409041402 570107645 /nfs/dbraw/zinc/10/76/45/570107645.db2.gz VQGHWXBJBVKUFI-FZZGJVLGSA-N 0 0 465.085 5.104 40 30 JKEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(Cl)c1 ZINC000409041482 570107658 /nfs/dbraw/zinc/10/76/58/570107658.db2.gz AGDUQSGFUJNZSJ-ORBVJSQLSA-N 0 0 472.788 6.032 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1F ZINC000409041954 570107800 /nfs/dbraw/zinc/10/78/00/570107800.db2.gz WOORJUNPXCVXOV-KYMQWJLESA-N 0 0 452.345 5.847 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409042812 570107888 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CCOC(=O)c1ccc(COc2ccccc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409047993 570109192 /nfs/dbraw/zinc/10/91/92/570109192.db2.gz VNCJDWNUUHFXJN-IPBVOBEMSA-N 0 0 466.353 5.156 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409048114 570109202 /nfs/dbraw/zinc/10/92/02/570109202.db2.gz RPDBEQRRHZZVIL-XDHOZWIPSA-N 0 0 490.350 5.235 40 30 JKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1cccc(C)c1 ZINC000409049318 570109478 /nfs/dbraw/zinc/10/94/78/570109478.db2.gz ZAFWSOBHNNMMET-BMWVXGTQSA-N 0 0 472.788 5.950 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409049108 570109487 /nfs/dbraw/zinc/10/94/87/570109487.db2.gz PZJYFGDCXIFVRE-WBSLIQCRSA-N 0 0 497.625 6.940 40 30 JKEBRN N#Cc1ccccc1COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br ZINC000409049019 570109493 /nfs/dbraw/zinc/10/94/93/570109493.db2.gz XYFWCFQDNTXMKD-BMWVXGTQSA-N 0 0 498.196 5.614 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(SCc2ccccc2)c2ccccc12 ZINC000409048939 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CCOC(=O)c1c2c(sc1/N=C\c1ccc(OCC(=O)Nc3ccc(C)cc3)cc1)CCCC2 ZINC000409063521 570115466 /nfs/dbraw/zinc/11/54/66/570115466.db2.gz MCXCYTPKCUDUQA-NTFVMDSBSA-N 0 0 476.598 5.880 40 30 JKEBRN Clc1ccc(COc2cccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)c2)cc1Cl ZINC000409063535 570115493 /nfs/dbraw/zinc/11/54/93/570115493.db2.gz BWRXCGFNCBGSKK-BIZUNTBRSA-N 0 0 498.413 8.176 40 30 JKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)n2)c1 ZINC000409063837 570115555 /nfs/dbraw/zinc/11/55/55/570115555.db2.gz ADRFUQQJRCYHFX-RPPGKUMJSA-N 0 0 499.379 7.050 40 30 JKEBRN CCCOc1c(I)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OCC ZINC000409066783 570116675 /nfs/dbraw/zinc/11/66/75/570116675.db2.gz WUGBPCWZTZUWRJ-ZMOGYAJESA-N 0 0 494.398 6.041 40 30 JKEBRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3cccc(Br)c3)c2C)c1C#N ZINC000409063792 570115617 /nfs/dbraw/zinc/11/56/17/570115617.db2.gz NIXUYHKGXLKRQZ-BRJLIKDPSA-N 0 0 452.356 5.024 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409064237 570115636 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CN(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409092345 570125251 /nfs/dbraw/zinc/12/52/51/570125251.db2.gz UUKBVOVGWLCMRJ-SSVJFZKPSA-N 0 0 484.065 7.214 40 30 JKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccc(Cl)cc1 ZINC000409092554 570125326 /nfs/dbraw/zinc/12/53/26/570125326.db2.gz VKXZLVMYTZLDAZ-NOPZMTQPSA-N 0 0 471.409 7.513 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000409092883 570125328 /nfs/dbraw/zinc/12/53/28/570125328.db2.gz WNADTALIVVRJSA-RYPKJOHWSA-N 0 0 495.601 6.090 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000409092746 570125337 /nfs/dbraw/zinc/12/53/37/570125337.db2.gz WECPHFKUAGQSLL-YBEGLDIGSA-N 0 0 466.342 5.211 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC)c3cccc(OCC)c23)S/C1=N/c1ccc(Cl)cc1 ZINC000409092644 570125349 /nfs/dbraw/zinc/12/53/49/570125349.db2.gz XLVAVKRBYISBBY-VZNINJQSSA-N 0 0 495.044 7.305 40 30 JKEBRN CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409093254 570125612 /nfs/dbraw/zinc/12/56/12/570125612.db2.gz YKEHRCNXNUHZTK-PFVXQFJUSA-N 0 0 462.659 7.296 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1F ZINC000409093697 570125703 /nfs/dbraw/zinc/12/57/03/570125703.db2.gz BDSHZDLVDWAKAW-ORBVJSQLSA-N 0 0 453.823 5.927 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1 ZINC000409093766 570125750 /nfs/dbraw/zinc/12/57/50/570125750.db2.gz BCCUCIFYGFIHOP-OPEKNORGSA-N 0 0 481.272 6.230 40 30 JKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000409094125 570126052 /nfs/dbraw/zinc/12/60/52/570126052.db2.gz CDPWBOPDDSTKTR-FJEPWZHXSA-N 0 0 495.457 6.800 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)cc1OC ZINC000409094713 570126096 /nfs/dbraw/zinc/12/60/96/570126096.db2.gz FSFIXUXBXIRRCM-AUWJEWJLSA-N 0 0 454.242 5.534 40 30 JKEBRN C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccccc1Cl ZINC000409094657 570126102 /nfs/dbraw/zinc/12/61/02/570126102.db2.gz FMMCHPOMMFWUTR-XAZZYMPDSA-N 0 0 489.925 6.906 40 30 JKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(CCCN2CCOCC2)C1=O ZINC000409095052 570126278 /nfs/dbraw/zinc/12/62/78/570126278.db2.gz BCWFRRPRKREMSA-IOIFCBICSA-N 0 0 486.037 5.065 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=Nc1ccccc1 ZINC000409095151 570126405 /nfs/dbraw/zinc/12/64/05/570126405.db2.gz GZEIFCYJHYUDMD-ZYITZIQLSA-N 0 0 451.592 5.318 40 30 JKEBRN Cc1cc(=O)[nH]c(Sc2ccc(C=C3SC(=Nc4ccccc4)N(C4CCCCC4)C3=O)o2)n1 ZINC000409095899 570126491 /nfs/dbraw/zinc/12/64/91/570126491.db2.gz IYXQYHHTGMDAIX-GRPGPLFKSA-N 0 0 492.626 6.172 40 30 JKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Br)cc1 ZINC000409095568 570126521 /nfs/dbraw/zinc/12/65/21/570126521.db2.gz HWWJJDRIFUFLPQ-LUOAPIJWSA-N 0 0 480.284 5.897 40 30 JKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000409096902 570126973 /nfs/dbraw/zinc/12/69/73/570126973.db2.gz LJJXPWQGBUGUQK-UVHMKAGCSA-N 0 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CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000409187638 570160973 /nfs/dbraw/zinc/16/09/73/570160973.db2.gz AGEKRMHGOYJVDC-MFKUBSTISA-N 0 0 463.950 6.428 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)o1 ZINC000409190377 570161779 /nfs/dbraw/zinc/16/17/79/570161779.db2.gz XYFQLOXWEUMONF-STBIYBPSSA-N 0 0 490.625 6.487 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)o1 ZINC000409191138 570161970 /nfs/dbraw/zinc/16/19/70/570161970.db2.gz ZVTAMCXTTPXSIM-FDAWAROLSA-N 0 0 498.604 6.354 40 30 JKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409192823 570162549 /nfs/dbraw/zinc/16/25/49/570162549.db2.gz BYHOGAIXPROLRI-CVKSISIWSA-N 0 0 496.975 7.185 40 30 JKEBRN O=[N+]([O-])c1cc(C=Nc2cccc(Br)c2)ccc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000409193379 570162741 /nfs/dbraw/zinc/16/27/41/570162741.db2.gz JSYOAMUKWASYCX-YDZHTSKRSA-N 0 0 480.347 6.044 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2cccc(Cl)c2)nnc1-c1ccco1 ZINC000409193780 570162925 /nfs/dbraw/zinc/16/29/25/570162925.db2.gz LQUSIAFTHAENDC-YDZHTSKRSA-N 0 0 453.911 6.021 40 30 JKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000409197682 570164011 /nfs/dbraw/zinc/16/40/11/570164011.db2.gz MCLOWVAWVXJFPB-UHFFFAOYSA-N 0 0 466.000 6.695 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(F)cc1 ZINC000409197753 570164026 /nfs/dbraw/zinc/16/40/26/570164026.db2.gz OBSZGAJFQRKUSW-JFLMPSFJSA-N 0 0 461.518 6.013 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1 ZINC000409198971 570164463 /nfs/dbraw/zinc/16/44/63/570164463.db2.gz ARBSLSBDZRYNRC-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409199067 570164467 /nfs/dbraw/zinc/16/44/67/570164467.db2.gz AXPOCQNQIWQNBS-AMVVHIIESA-N 0 0 484.861 8.272 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409199333 570164533 /nfs/dbraw/zinc/16/45/33/570164533.db2.gz CAEWIEMFVOKNIY-AFUMVMLFSA-N 0 0 469.335 5.234 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409199281 570164570 /nfs/dbraw/zinc/16/45/70/570164570.db2.gz BFWDKAZSGYSUQN-LQKURTRISA-N 0 0 460.371 7.249 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409199230 570164575 /nfs/dbraw/zinc/16/45/75/570164575.db2.gz AFFFKEGBXVEJKL-LKDLRLLFSA-N 0 0 473.038 6.325 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCC ZINC000409199449 570164663 /nfs/dbraw/zinc/16/46/63/570164663.db2.gz CTVLIMLXYRCBMG-PCLIKHOPSA-N 0 0 487.337 6.632 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1C(C)C ZINC000409199672 570164695 /nfs/dbraw/zinc/16/46/95/570164695.db2.gz CNNXWLSMVKFISP-VRPAEGBYSA-N 0 0 467.638 6.932 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409199881 570164750 /nfs/dbraw/zinc/16/47/50/570164750.db2.gz FLQOZEANCDCIIF-CVKSISIWSA-N 0 0 467.363 5.924 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409199903 570164807 /nfs/dbraw/zinc/16/48/07/570164807.db2.gz FHPRMRBBXGKHCY-VFLNYLIXSA-N 0 0 492.881 7.825 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000409199733 570164812 /nfs/dbraw/zinc/16/48/12/570164812.db2.gz JNUKHNIXYPCLQB-YBFXNURJSA-N 0 0 467.369 5.987 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409200003 570164857 /nfs/dbraw/zinc/16/48/57/570164857.db2.gz GLNKKASVCVGHDM-UVHMKAGCSA-N 0 0 473.356 6.087 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 ZINC000409200040 570164863 /nfs/dbraw/zinc/16/48/63/570164863.db2.gz FTCRMGOPLGXQQV-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 ZINC000409200337 570164945 /nfs/dbraw/zinc/16/49/45/570164945.db2.gz HYLWVBKBGITETQ-UTJGKEGISA-N 0 0 488.653 7.738 40 30 JKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 ZINC000409200330 570164963 /nfs/dbraw/zinc/16/49/63/570164963.db2.gz HYLWVBKBGITETQ-MELSTYLASA-N 0 0 488.653 7.738 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)cc1 ZINC000409200278 570164974 /nfs/dbraw/zinc/16/49/74/570164974.db2.gz HLPKVIKRZFIYDB-RWPZCVJISA-N 0 0 474.435 6.954 40 30 JKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409200269 570164976 /nfs/dbraw/zinc/16/49/76/570164976.db2.gz HLFJDUZEBFMOKZ-JAYUVETPSA-N 0 0 476.602 5.995 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1 ZINC000409200136 570164989 /nfs/dbraw/zinc/16/49/89/570164989.db2.gz GXEYUYSPIYLBQL-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1Cl ZINC000409200588 570165097 /nfs/dbraw/zinc/16/50/97/570165097.db2.gz IKCCHEUYKUJPQO-AFUMVMLFSA-N 0 0 491.756 6.673 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409200657 570165161 /nfs/dbraw/zinc/16/51/61/570165161.db2.gz JGUXHDMLNHSRTJ-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200707 570165191 /nfs/dbraw/zinc/16/51/91/570165191.db2.gz IQRDTFIJIOTVGO-VULFUBBASA-N 0 0 483.362 6.702 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409200631 570165201 /nfs/dbraw/zinc/16/52/01/570165201.db2.gz IRXZTNOKUIVOGK-FOCLHDTISA-N 0 0 457.039 7.138 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409200882 570165295 /nfs/dbraw/zinc/16/52/95/570165295.db2.gz JYVXTFWLPAOWKQ-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1C ZINC000409200926 570165300 /nfs/dbraw/zinc/16/53/00/570165300.db2.gz KLQVVZDXHJXFLT-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 ZINC000409200877 570165302 /nfs/dbraw/zinc/16/53/02/570165302.db2.gz JYFOATZLIPVICQ-IKMQVZDESA-N 0 0 453.608 5.360 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409201239 570165329 /nfs/dbraw/zinc/16/53/29/570165329.db2.gz KTKWGRLPEKKYDT-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(Oc4nc(Cl)ncc4F)c3)sc2C1 ZINC000409201551 570165506 /nfs/dbraw/zinc/16/55/06/570165506.db2.gz MJXQDRJKLVMGNF-GMUGERAYSA-N 0 0 468.985 6.896 40 30 JKEBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409201511 570165513 /nfs/dbraw/zinc/16/55/13/570165513.db2.gz NXUAFBAMUXEUMS-GHRPQRKGSA-N 0 0 487.581 5.248 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409201650 570165577 /nfs/dbraw/zinc/16/55/77/570165577.db2.gz NGLQCLWIOYOBIJ-BUVRLJJBSA-N 0 0 474.376 5.675 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409201761 570165585 /nfs/dbraw/zinc/16/55/85/570165585.db2.gz NXMOELGIZWXJCM-ZMOGYAJESA-N 0 0 455.854 6.270 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201698 570165615 /nfs/dbraw/zinc/16/56/15/570165615.db2.gz NOLQFMSYAJTROX-WYMPLXKRSA-N 0 0 455.854 6.325 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409202006 570165665 /nfs/dbraw/zinc/16/56/65/570165665.db2.gz QASWILTYJWPTOO-CCVNUDIWSA-N 0 0 458.436 7.172 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)cc1 ZINC000409201980 570165715 /nfs/dbraw/zinc/16/57/15/570165715.db2.gz PLDOFTRHMZSTPN-AFUMVMLFSA-N 0 0 485.880 6.497 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1 ZINC000409202015 570165741 /nfs/dbraw/zinc/16/57/41/570165741.db2.gz NPUBHJDHNMRPDU-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1 ZINC000409202243 570165751 /nfs/dbraw/zinc/16/57/51/570165751.db2.gz QRKOFJYDZKCQOE-BHGWPJFGSA-N 0 0 460.273 6.970 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c(C)c1 ZINC000409202049 570165765 /nfs/dbraw/zinc/16/57/65/570165765.db2.gz OHQANBOHWLVGQG-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN COc1cccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OCc1ccc(Cl)cc1 ZINC000409202161 570165778 /nfs/dbraw/zinc/16/57/78/570165778.db2.gz PHYXGMLRWLAJOM-KUVSIYKGSA-N 0 0 493.072 7.762 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c(Cl)c1 ZINC000409202214 570165780 /nfs/dbraw/zinc/16/57/80/570165780.db2.gz QFRANTCJFYWLFA-OKCVXOCRSA-N 0 0 482.794 8.769 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409202454 570165877 /nfs/dbraw/zinc/16/58/77/570165877.db2.gz QWFGMAUZVFVBCW-WZNPNLAZSA-N 0 0 478.658 6.482 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409202315 570165884 /nfs/dbraw/zinc/16/58/84/570165884.db2.gz RLOJXIGIYDGEJQ-WYMPLXKRSA-N 0 0 460.273 6.915 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409202447 570165891 /nfs/dbraw/zinc/16/58/91/570165891.db2.gz QTTNRKKQVDPBFI-VXLYETTFSA-N 0 0 494.794 6.307 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(=O)OC ZINC000409202313 570165901 /nfs/dbraw/zinc/16/59/01/570165901.db2.gz RJPHESHNJIXNAY-MWQSPYHUSA-N 0 0 454.592 5.472 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(=O)OC ZINC000409202314 570165906 /nfs/dbraw/zinc/16/59/06/570165906.db2.gz RJPHESHNJIXNAY-PZLUAEMBSA-N 0 0 454.592 5.472 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000409202506 570165963 /nfs/dbraw/zinc/16/59/63/570165963.db2.gz RJBOTKJVKGEHNR-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409202737 570166074 /nfs/dbraw/zinc/16/60/74/570166074.db2.gz RUOQTADMKUQUID-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409202702 570166081 /nfs/dbraw/zinc/16/60/81/570166081.db2.gz TWMGSLXXSSMGNR-ZVHZXABRSA-N 0 0 455.308 6.086 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409202969 570166162 /nfs/dbraw/zinc/16/61/62/570166162.db2.gz TXRQWTAPRKWKPJ-FDAWAROLSA-N 0 0 492.402 8.514 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1 ZINC000409203359 570166330 /nfs/dbraw/zinc/16/63/30/570166330.db2.gz VSNKTPJUBXTCRZ-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN COc1cc(C=NNc2ccccc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409203305 570166332 /nfs/dbraw/zinc/16/63/32/570166332.db2.gz XAOKSGTUBRUCBW-OYKKKHCWSA-N 0 0 472.326 5.633 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409203496 570166395 /nfs/dbraw/zinc/16/63/95/570166395.db2.gz XMBTUVZAAFHPSW-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN COC(=O)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409203465 570166397 /nfs/dbraw/zinc/16/63/97/570166397.db2.gz XFUXQDIMJQMRPL-AQDQEMTMSA-N 0 0 489.435 5.836 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409203486 570166401 /nfs/dbraw/zinc/16/64/01/570166401.db2.gz YFOLRMYUILEXDE-DHRITJCHSA-N 0 0 489.207 6.858 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409203659 570166500 /nfs/dbraw/zinc/16/65/00/570166500.db2.gz XAGLDRPVVLOLBY-HFYOLELGSA-N 0 0 455.418 5.336 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409203555 570166534 /nfs/dbraw/zinc/16/65/34/570166534.db2.gz YBVUCPBZSIFOKF-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409208050 570167963 /nfs/dbraw/zinc/16/79/63/570167963.db2.gz AMBGRJKTUSEIGP-CCVNUDIWSA-N 0 0 487.383 6.477 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000409207941 570167980 /nfs/dbraw/zinc/16/79/80/570167980.db2.gz CXZUASVOUKZJGC-JFLMPSFJSA-N 0 0 472.354 6.715 40 30 JKEBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409208079 570167981 /nfs/dbraw/zinc/16/79/81/570167981.db2.gz AQPWWYZYAQETHI-SSDVNMTOSA-N 0 0 494.041 6.800 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409208385 570168175 /nfs/dbraw/zinc/16/81/75/570168175.db2.gz FQKPBXGBQHKVSA-OGLMXYFKSA-N 0 0 458.901 7.370 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409208377 570168212 /nfs/dbraw/zinc/16/82/12/570168212.db2.gz FORZTWCTFLOPOW-STBIYBPSSA-N 0 0 474.398 7.639 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409208405 570168235 /nfs/dbraw/zinc/16/82/35/570168235.db2.gz BKQIULFVULJRSZ-XODNFHPESA-N 0 0 494.853 7.217 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1C ZINC000409208383 570168256 /nfs/dbraw/zinc/16/82/56/570168256.db2.gz FQDMXXGKMSNMPW-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN C=CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SCCCCCC)n[n+]32)cc1 ZINC000261363962 570168257 /nfs/dbraw/zinc/16/82/57/570168257.db2.gz ISZPNVKSKGOTEH-SANMLTNESA-O 0 0 491.637 5.287 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409208715 570168317 /nfs/dbraw/zinc/16/83/17/570168317.db2.gz CPVFQACIYHJKKZ-UVHMKAGCSA-N 0 0 464.827 7.209 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409208600 570168355 /nfs/dbraw/zinc/16/83/55/570168355.db2.gz HCSOQJADFPTWDG-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409208625 570168356 /nfs/dbraw/zinc/16/83/56/570168356.db2.gz HFQAHXMCZYKLAH-YDZHTSKRSA-N 0 0 464.768 5.929 40 30 JKEBRN CCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000409208748 570168370 /nfs/dbraw/zinc/16/83/70/570168370.db2.gz BXCLYCMOBCBEQK-HYARGMPZSA-N 0 0 453.320 5.628 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1C ZINC000409208845 570168479 /nfs/dbraw/zinc/16/84/79/570168479.db2.gz ALXQIJNWBRHNCD-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409209033 570168490 /nfs/dbraw/zinc/16/84/90/570168490.db2.gz FFZQESHCQNHBBS-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409209130 570168633 /nfs/dbraw/zinc/16/86/33/570168633.db2.gz GFSZOARMSLNAOY-MZJWZYIUSA-N 0 0 457.357 6.469 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)ccc1Cl ZINC000409209161 570168645 /nfs/dbraw/zinc/16/86/45/570168645.db2.gz GCTDYGBKDMXPMA-WSDLNYQXSA-N 0 0 492.940 5.885 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 ZINC000409209215 570168663 /nfs/dbraw/zinc/16/86/63/570168663.db2.gz HTWMGJWFHKVEHJ-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409209381 570168724 /nfs/dbraw/zinc/16/87/24/570168724.db2.gz DZPQHMAFUMDXBJ-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409209371 570168766 /nfs/dbraw/zinc/16/87/66/570168766.db2.gz GJHWSYJKDJPPGW-HNSNBQBZSA-N 0 0 498.409 9.269 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409209466 570168785 /nfs/dbraw/zinc/16/87/85/570168785.db2.gz FPQYDBVLHNYSCJ-JFLMPSFJSA-N 0 0 481.390 6.233 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409209472 570168791 /nfs/dbraw/zinc/16/87/91/570168791.db2.gz FQOKODJCWORIPS-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409209501 570168822 /nfs/dbraw/zinc/16/88/22/570168822.db2.gz FYDXQJAHUALUJR-MFKUBSTISA-N 0 0 459.951 5.574 40 30 JKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409209581 570168869 /nfs/dbraw/zinc/16/88/69/570168869.db2.gz COUQNSPRUNADPB-LICLKQGHSA-N 0 0 450.741 5.908 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409209553 570168882 /nfs/dbraw/zinc/16/88/82/570168882.db2.gz GMTGKTVRDWJVLY-BRJLIKDPSA-N 0 0 493.170 6.689 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000409209761 570168978 /nfs/dbraw/zinc/16/89/78/570168978.db2.gz HVUNYFBBHGVCBU-JFLMPSFJSA-N 0 0 472.354 6.715 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)sc2C1 ZINC000409209847 570168980 /nfs/dbraw/zinc/16/89/80/570168980.db2.gz GKRQPTFGZWGXFS-GRJIBALVSA-N 0 0 460.559 6.617 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)C(=O)N1C(C)C ZINC000409209766 570168991 /nfs/dbraw/zinc/16/89/91/570168991.db2.gz ILLIUOZVDDKTQX-FBWGNZTPSA-N 0 0 498.446 5.989 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409209820 570169023 /nfs/dbraw/zinc/16/90/23/570169023.db2.gz GIVPQGUITYAOFZ-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)sc2C1 ZINC000409209850 570169029 /nfs/dbraw/zinc/16/90/29/570169029.db2.gz GKRQPTFGZWGXFS-YNCTYVJUSA-N 0 0 460.559 6.617 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409209891 570169143 /nfs/dbraw/zinc/16/91/43/570169143.db2.gz GRQLQUZDIKYAML-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409210153 570169334 /nfs/dbraw/zinc/16/93/34/570169334.db2.gz FGDAIOYHIXOKBM-WOJGMQOQSA-N 0 0 452.879 5.327 40 30 JKEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccc(OC2CCCC2)c1 ZINC000261366208 570169359 /nfs/dbraw/zinc/16/93/59/570169359.db2.gz XZLLWLSQYYRHDJ-SANMLTNESA-O 0 0 489.621 5.040 40 30 JKEBRN Cc1c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000409210400 570169446 /nfs/dbraw/zinc/16/94/46/570169446.db2.gz JMPZCKWYBPUQDT-PKAZHMFMSA-N 0 0 477.589 6.149 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409210414 570169456 /nfs/dbraw/zinc/16/94/56/570169456.db2.gz JRGDMOUBQIIOJM-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409210431 570169458 /nfs/dbraw/zinc/16/94/58/570169458.db2.gz IPOXSACOLUBQFW-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1C ZINC000409210676 570169516 /nfs/dbraw/zinc/16/95/16/570169516.db2.gz LYUVSVLGRLZIQP-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409210615 570169548 /nfs/dbraw/zinc/16/95/48/570169548.db2.gz JTPVNPQMSSGKOU-JFLMPSFJSA-N 0 0 499.392 6.945 40 30 JKEBRN COc1ccc(C(=O)Oc2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)cc1 ZINC000409210633 570169566 /nfs/dbraw/zinc/16/95/66/570169566.db2.gz FZDTZTAGJKVTCN-WYYDPCKZSA-N 0 0 472.610 6.749 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C ZINC000409210654 570169568 /nfs/dbraw/zinc/16/95/68/570169568.db2.gz JYDIRUGVHRDZHB-LUOAPIJWSA-N 0 0 453.196 8.247 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc21 ZINC000409210594 570169585 /nfs/dbraw/zinc/16/95/85/570169585.db2.gz FVONUDVDOHXKEI-OCSSWDANSA-N 0 0 488.425 7.947 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409210918 570169670 /nfs/dbraw/zinc/16/96/70/570169670.db2.gz MEYKCAXXROGWJH-CIKNCDAESA-N 0 0 478.658 6.400 40 30 JKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000409210972 570169693 /nfs/dbraw/zinc/16/96/93/570169693.db2.gz MHIWHLOZQGPMJR-QQXSKIMKSA-N 0 0 479.561 5.828 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409211071 570169776 /nfs/dbraw/zinc/16/97/76/570169776.db2.gz KMQAFZDVBRNHSB-RWPZCVJISA-N 0 0 495.417 6.541 40 30 JKEBRN Clc1cccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 ZINC000409211025 570169791 /nfs/dbraw/zinc/16/97/91/570169791.db2.gz MHMPEZOOHXCORI-OKCVXOCRSA-N 0 0 482.794 8.769 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409211059 570169845 /nfs/dbraw/zinc/16/98/45/570169845.db2.gz KHIKENVVPJDIRG-LQNQUEJISA-N 0 0 478.426 7.949 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409211320 570169884 /nfs/dbraw/zinc/16/98/84/570169884.db2.gz NJLPNVYTYSZLQN-DHRITJCHSA-N 0 0 469.881 6.715 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409211381 570169892 /nfs/dbraw/zinc/16/98/92/570169892.db2.gz NPOFGHYPWWSXHD-CNAFYAFZSA-N 0 0 474.468 6.254 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409211495 570170015 /nfs/dbraw/zinc/17/00/15/570170015.db2.gz NLNUPJKYYZKLTO-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1NC(=O)c1ccccc1 ZINC000409211508 570170029 /nfs/dbraw/zinc/17/00/29/570170029.db2.gz NXBUUZHAKOHSPA-QRVIBDJDSA-N 0 0 457.315 5.152 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409211750 570170187 /nfs/dbraw/zinc/17/01/87/570170187.db2.gz MXPIOVYXUOOFBT-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409211964 570170277 /nfs/dbraw/zinc/17/02/77/570170277.db2.gz LAKPCBSUVBPOJJ-MUFRIFMGSA-N 0 0 450.365 7.875 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409212134 570170359 /nfs/dbraw/zinc/17/03/59/570170359.db2.gz PIVGALQLDPCTRF-RPPGKUMJSA-N 0 0 479.252 7.227 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409211910 570170289 /nfs/dbraw/zinc/17/02/89/570170289.db2.gz KRNJHBIUXCEQHG-JFLMPSFJSA-N 0 0 497.389 5.933 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000409211831 570170299 /nfs/dbraw/zinc/17/02/99/570170299.db2.gz NFCWMUIMPXGOIT-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 ZINC000409211817 570170306 /nfs/dbraw/zinc/17/03/06/570170306.db2.gz OIXRFMPNNOWAHW-JFLMPSFJSA-N 0 0 488.809 7.230 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409211877 570170308 /nfs/dbraw/zinc/17/03/08/570170308.db2.gz OZLGLGKTYIDSSO-LGJNPRDNSA-N 0 0 479.201 7.484 40 30 JKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OCc2ccccc2)c1 ZINC000409211838 570170310 /nfs/dbraw/zinc/17/03/10/570170310.db2.gz NGPSBAIJDVTNCN-SOJWGMMBSA-N 0 0 499.724 7.947 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409212051 570170340 /nfs/dbraw/zinc/17/03/40/570170340.db2.gz LPDSFCGOVYNAAK-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl)c1ccccc1 ZINC000409212068 570170353 /nfs/dbraw/zinc/17/03/53/570170353.db2.gz PRNHOACXEXMGPV-OVVQPSECSA-N 0 0 463.942 6.651 40 30 JKEBRN CCOc1ccc2c(c1)S[C@@H](S[C@@H](CC)C(=O)Nc1sc3c(c1C#N)CCCC3)N2 ZINC000261526698 570170338 /nfs/dbraw/zinc/17/03/38/570170338.db2.gz HGBVQCPQPVVLMD-HTAPYJJXSA-N 0 0 459.662 5.849 40 30 JKEBRN CCOc1ccc2c(c1)S[C@H](S[C@@H](CC)C(=O)Nc1sc3c(c1C#N)CCCC3)N2 ZINC000261526699 570170346 /nfs/dbraw/zinc/17/03/46/570170346.db2.gz HGBVQCPQPVVLMD-JTSKRJEESA-N 0 0 459.662 5.849 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409212177 570170403 /nfs/dbraw/zinc/17/04/03/570170403.db2.gz NPZHRTFQKFKNGO-AFUMVMLFSA-N 0 0 469.335 6.258 40 30 JKEBRN CCOc1ccc2c(c1)S[C@H](S[C@H](CC)C(=O)Nc1sc3c(c1C#N)CCCC3)N2 ZINC000261526701 570170395 /nfs/dbraw/zinc/17/03/95/570170395.db2.gz HGBVQCPQPVVLMD-VGSWGCGISA-N 0 0 459.662 5.849 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F ZINC000409212370 570170475 /nfs/dbraw/zinc/17/04/75/570170475.db2.gz QOLHBARYYHIZRI-OCSSWDANSA-N 0 0 461.920 7.610 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1C ZINC000409212241 570170477 /nfs/dbraw/zinc/17/04/77/570170477.db2.gz QICBZIAZMWDGEF-BHGWPJFGSA-N 0 0 460.273 6.970 40 30 JKEBRN Clc1cccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409212358 570170488 /nfs/dbraw/zinc/17/04/88/570170488.db2.gz PFZJUIIAYXLFAF-STBIYBPSSA-N 0 0 492.800 8.224 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409212361 570170516 /nfs/dbraw/zinc/17/05/16/570170516.db2.gz QJEGJBWHWADTMZ-UXHLAJHPSA-N 0 0 470.956 7.209 40 30 JKEBRN Cc1cc(I)ccc1NC(=O)CSc1nc2c(cc1C#N)CCCCCC2 ZINC000261526829 570170524 /nfs/dbraw/zinc/17/05/24/570170524.db2.gz MMSHGJPQSXDISA-UHFFFAOYSA-N 0 0 491.398 5.256 40 30 JKEBRN N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000261526872 570170528 /nfs/dbraw/zinc/17/05/28/570170528.db2.gz NVCJCHBWQQZSHF-RUZDIDTESA-N 0 0 497.526 5.990 40 30 JKEBRN C[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000263583701 570170531 /nfs/dbraw/zinc/17/05/31/570170531.db2.gz UFJBZZBHLIAIBE-UZBSEBFBSA-N 0 0 458.111 5.606 40 30 JKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409212710 570170628 /nfs/dbraw/zinc/17/06/28/570170628.db2.gz PSWAKVNNPHQZFJ-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409212836 570170635 /nfs/dbraw/zinc/17/06/35/570170635.db2.gz RHMNRAQIGYFJJQ-ZMOGYAJESA-N 0 0 494.794 5.938 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Br)cc1Cl ZINC000409212699 570170650 /nfs/dbraw/zinc/17/06/50/570170650.db2.gz RYBFBFWUPWWFQA-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409212727 570170686 /nfs/dbraw/zinc/17/06/86/570170686.db2.gz PZPFHYPBFMDNAM-JFLMPSFJSA-N 0 0 452.938 5.824 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409213021 570170757 /nfs/dbraw/zinc/17/07/57/570170757.db2.gz NXPVOOANNVTZPJ-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409212930 570170769 /nfs/dbraw/zinc/17/07/69/570170769.db2.gz SIHFYHLIMPFEFU-NJZRLIGZSA-N 0 0 493.584 7.459 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3ccccc3C)cc2Br)cc1 ZINC000409212919 570170788 /nfs/dbraw/zinc/17/07/88/570170788.db2.gz NJLOQVHKFMPVAY-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409212927 570170809 /nfs/dbraw/zinc/17/08/09/570170809.db2.gz SICPKEJYRDEUKT-CVKSISIWSA-N 0 0 467.363 5.924 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409213189 570170904 /nfs/dbraw/zinc/17/09/04/570170904.db2.gz SZABYXWESODQMQ-KKMKTNMSSA-N 0 0 480.826 6.827 40 30 JKEBRN Clc1cccc(COc2c(Br)cc(/C=N/c3ccccc3)cc2Br)c1 ZINC000409213204 570170910 /nfs/dbraw/zinc/17/09/10/570170910.db2.gz SSCNXDMHYLKWSY-WYMPLXKRSA-N 0 0 479.599 7.195 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409213067 570170917 /nfs/dbraw/zinc/17/09/17/570170917.db2.gz SCEWHWBSFUPDDY-FOKLQQMPSA-N 0 0 490.697 6.770 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Br)cc1Cl ZINC000409213100 570170929 /nfs/dbraw/zinc/17/09/29/570170929.db2.gz SITLGMKKUXGSIQ-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409213219 570170931 /nfs/dbraw/zinc/17/09/31/570170931.db2.gz RQDDGTXATDDLOO-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)c1 ZINC000409213260 570170997 /nfs/dbraw/zinc/17/09/97/570170997.db2.gz SDBZSJYPZGLKFN-ZDSCIVGOSA-N 0 0 485.653 6.847 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409213373 570171004 /nfs/dbraw/zinc/17/10/04/570171004.db2.gz TVZDBFUWYDZOFN-LGJNPRDNSA-N 0 0 479.201 7.484 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Br)cc1 ZINC000409213282 570171005 /nfs/dbraw/zinc/17/10/05/570171005.db2.gz UCEANOHLRMBVGL-RDRPBHBLSA-N 0 0 472.382 7.879 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409213284 570171041 /nfs/dbraw/zinc/17/10/41/570171041.db2.gz UDPXDLJKFMIGJV-OOAXWGSJSA-N 0 0 499.632 6.672 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409213607 570171124 /nfs/dbraw/zinc/17/11/24/570171124.db2.gz VDJLUDMNMGCKMO-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409213490 570171125 /nfs/dbraw/zinc/17/11/25/570171125.db2.gz PDSDKJXRPUHTKS-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000409213477 570171133 /nfs/dbraw/zinc/17/11/33/570171133.db2.gz VYNGFOPMETYMNW-LICLKQGHSA-N 0 0 497.741 5.750 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 ZINC000409213646 570171157 /nfs/dbraw/zinc/17/11/57/570171157.db2.gz VFDXOCCMSKAFIH-AFUMVMLFSA-N 0 0 489.207 6.940 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl ZINC000409213537 570171182 /nfs/dbraw/zinc/17/11/82/570171182.db2.gz PPNSFEPOSGXOME-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409213814 570171256 /nfs/dbraw/zinc/17/12/56/570171256.db2.gz VRIHKVZDHBQCMS-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409213765 570171282 /nfs/dbraw/zinc/17/12/82/570171282.db2.gz VDIAIHAQXQWGQI-BRJLIKDPSA-N 0 0 484.788 6.482 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2)cc1 ZINC000409213761 570171289 /nfs/dbraw/zinc/17/12/89/570171289.db2.gz UNJMSDJIWRISJO-IKMQVZDESA-N 0 0 451.592 5.102 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1cccc(C)c1 ZINC000409213686 570171290 /nfs/dbraw/zinc/17/12/90/570171290.db2.gz QHFGQFYUNZHNIL-CISRBEIWSA-N 0 0 472.654 7.417 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1cccc(F)c1 ZINC000409213926 570171411 /nfs/dbraw/zinc/17/14/11/570171411.db2.gz ULBIGZFWNYVOCU-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O ZINC000409213914 570171418 /nfs/dbraw/zinc/17/14/18/570171418.db2.gz VPRUOJXTNYZRJN-LFVJCYFKSA-N 0 0 498.604 5.494 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409213912 570171434 /nfs/dbraw/zinc/17/14/34/570171434.db2.gz WFPHCGGBSOHBRN-MTDXEUNCSA-N 0 0 499.479 7.237 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2Cl)cc1 ZINC000409213921 570171440 /nfs/dbraw/zinc/17/14/40/570171440.db2.gz VQTOAXFLBAEXIL-LKDLRLLFSA-N 0 0 486.037 5.755 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409214269 570171520 /nfs/dbraw/zinc/17/15/20/570171520.db2.gz WKCOFQOZOUVGNH-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 ZINC000409214181 570171533 /nfs/dbraw/zinc/17/15/33/570171533.db2.gz RMTKXHWAPQEHGJ-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1Cl ZINC000409214354 570171658 /nfs/dbraw/zinc/17/16/58/570171658.db2.gz XOMFQGMXESGVTB-IPBVOBEMSA-N 0 0 496.221 7.685 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409214397 570171679 /nfs/dbraw/zinc/17/16/79/570171679.db2.gz XSUAHAPTYUGAAG-NDENLUEZSA-N 0 0 450.951 5.034 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C ZINC000409214605 570171758 /nfs/dbraw/zinc/17/17/58/570171758.db2.gz YNSHEDQDZYKGFR-MIFQQCSCSA-N 0 0 456.568 5.100 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(F)cc1 ZINC000409214551 570171776 /nfs/dbraw/zinc/17/17/76/570171776.db2.gz YBPBWEMABVQCNC-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409214698 570171802 /nfs/dbraw/zinc/17/18/02/570171802.db2.gz ZZNPNIXBTRQPNB-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1C ZINC000409214827 570171870 /nfs/dbraw/zinc/17/18/70/570171870.db2.gz ZDKSSDCEDBENGC-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000409214986 570171885 /nfs/dbraw/zinc/17/18/85/570171885.db2.gz YZBTYPGWUNJARG-VULFUBBASA-N 0 0 458.783 7.003 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1C(C)C ZINC000409214865 570171917 /nfs/dbraw/zinc/17/19/17/570171917.db2.gz YGIVKTBYEUFTPJ-HZHQRTMQSA-N 0 0 463.430 6.662 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1cccc(F)c1 ZINC000409214970 570171922 /nfs/dbraw/zinc/17/19/22/570171922.db2.gz VOFVNROGTFMJRD-ZMOGYAJESA-N 0 0 461.274 5.769 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409215153 570171952 /nfs/dbraw/zinc/17/19/52/570171952.db2.gz ZZUCFGRQSYLCDY-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccccc1 ZINC000409215116 570171985 /nfs/dbraw/zinc/17/19/85/570171985.db2.gz ZYWXSRYYCSFNKT-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1 ZINC000409215007 570171987 /nfs/dbraw/zinc/17/19/87/570171987.db2.gz ZBZTWIHAEMGYRB-BRJLIKDPSA-N 0 0 493.170 6.689 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Br)cc1 ZINC000409215348 570172091 /nfs/dbraw/zinc/17/20/91/570172091.db2.gz ZKPPAYYAXVDGDS-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1O ZINC000409215368 570172104 /nfs/dbraw/zinc/17/21/04/570172104.db2.gz ZTAXDUFWDBFGDT-NDUKVXLSSA-N 0 0 461.425 6.388 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1 ZINC000409215662 570172197 /nfs/dbraw/zinc/17/21/97/570172197.db2.gz DBKXPGXJUDVFPF-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409215734 570172350 /nfs/dbraw/zinc/17/23/50/570172350.db2.gz AMRNJYNFLSGVEW-BRJLIKDPSA-N 0 0 484.788 6.482 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409216023 570172436 /nfs/dbraw/zinc/17/24/36/570172436.db2.gz HJRWTGFRSQRFFG-JFLMPSFJSA-N 0 0 452.392 7.103 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409216087 570172443 /nfs/dbraw/zinc/17/24/43/570172443.db2.gz HWXMGAWEGLLPTP-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2cc(Cl)ccc2C)c1 ZINC000409216038 570172454 /nfs/dbraw/zinc/17/24/54/570172454.db2.gz DKPYQUSCRGOEDV-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000409216043 570172464 /nfs/dbraw/zinc/17/24/64/570172464.db2.gz HNLSRHVPFIKOAL-FLSMQFACSA-N 0 0 473.038 6.407 40 30 JKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409216109 570172583 /nfs/dbraw/zinc/17/25/83/570172583.db2.gz FAPSIAFXQYWKLL-UVHMKAGCSA-N 0 0 493.279 7.481 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccccc2)cc1Br ZINC000409216134 570172613 /nfs/dbraw/zinc/17/26/13/570172613.db2.gz FOQGNRHWCUKQOJ-BRJLIKDPSA-N 0 0 465.225 6.919 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)c1 ZINC000409216204 570172614 /nfs/dbraw/zinc/17/26/14/570172614.db2.gz IRHWKVNMQMGARX-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3ccc(C)cc3C)cc2Br)cc1 ZINC000409216331 570172649 /nfs/dbraw/zinc/17/26/49/570172649.db2.gz HHMOJTIFVAMTGY-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2Br)cc1 ZINC000409216361 570172675 /nfs/dbraw/zinc/17/26/75/570172675.db2.gz HPKDKTOCJJYJDA-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409216408 570172714 /nfs/dbraw/zinc/17/27/14/570172714.db2.gz HXEZHNUFMZDRJW-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000409216448 570172731 /nfs/dbraw/zinc/17/27/31/570172731.db2.gz IJLAAHKQPKFLIT-FOKLQQMPSA-N 0 0 490.697 6.770 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409216591 570172776 /nfs/dbraw/zinc/17/27/76/570172776.db2.gz JQADOKWHXSNSRT-FMFFXOCNSA-N 0 0 493.990 8.624 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409216611 570172797 /nfs/dbraw/zinc/17/27/97/570172797.db2.gz JWEJKHSFAWZWBP-AFUMVMLFSA-N 0 0 485.334 6.094 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)sc2c1CCCC2 ZINC000409216563 570172831 /nfs/dbraw/zinc/17/28/31/570172831.db2.gz JJCZGXAGGOMBKC-KCSSXMTESA-N 0 0 492.644 7.710 40 30 JKEBRN Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000409216518 570172840 /nfs/dbraw/zinc/17/28/40/570172840.db2.gz ITSOBKWJCVUOAU-HNSNBQBZSA-N 0 0 498.409 9.269 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409216696 570172887 /nfs/dbraw/zinc/17/28/87/570172887.db2.gz OCHUJBGTHJZBDC-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409217080 570172970 /nfs/dbraw/zinc/17/29/70/570172970.db2.gz RIDABKBMWOOZIM-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000409217069 570173002 /nfs/dbraw/zinc/17/30/02/570173002.db2.gz RFIKOPPRPCPZLY-MYVOUCEISA-N 0 0 459.011 6.017 40 30 JKEBRN Fc1ccccc1COc1c(Br)cc(/C=N/c2ccccc2)cc1Br ZINC000409216928 570173042 /nfs/dbraw/zinc/17/30/42/570173042.db2.gz PUOVGDHEPQKZQQ-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409217373 570173083 /nfs/dbraw/zinc/17/30/83/570173083.db2.gz BTSVVGVNTRKGJV-VULFUBBASA-N 0 0 458.327 6.325 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 ZINC000409217310 570173084 /nfs/dbraw/zinc/17/30/84/570173084.db2.gz OXNNCEXXUAQXPW-KVSWJAHQSA-N 0 0 475.803 7.340 40 30 JKEBRN CCOc1cc(Br)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409217363 570173114 /nfs/dbraw/zinc/17/31/14/570173114.db2.gz BRXWOELPQWOEMS-WEPAEKJRSA-N 0 0 475.452 6.691 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409217213 570173124 /nfs/dbraw/zinc/17/31/24/570173124.db2.gz TVWJAEUPFKTWSV-FOKLQQMPSA-N 0 0 462.245 6.361 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409217423 570173210 /nfs/dbraw/zinc/17/32/10/570173210.db2.gz UPLXMCJHDAKNAP-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409217418 570173212 /nfs/dbraw/zinc/17/32/12/570173212.db2.gz ULZQKCVDBPMYNG-ISHFRVPGSA-N 0 0 477.001 6.156 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409217879 570173322 /nfs/dbraw/zinc/17/33/22/570173322.db2.gz XXFZBQAUCMDLIX-LQKURTRISA-N 0 0 476.370 6.949 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409218253 570173454 /nfs/dbraw/zinc/17/34/54/570173454.db2.gz ZRGUEGOAUZJRTQ-ZMOGYAJESA-N 0 0 459.181 6.850 40 30 JKEBRN Cc1ccc(NC(=O)Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)cc1 ZINC000409218403 570173579 /nfs/dbraw/zinc/17/35/79/570173579.db2.gz UXYGSRVQBHWVKL-OEXTVKITSA-N 0 0 474.630 5.678 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000409218622 570173601 /nfs/dbraw/zinc/17/36/01/570173601.db2.gz WIIQPKUWQADRLP-ISHFRVPGSA-N 0 0 477.001 6.156 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409218348 570173609 /nfs/dbraw/zinc/17/36/09/570173609.db2.gz IGIFDXWEXCNKQN-UNOMPAQXSA-N 0 0 485.396 5.687 40 30 JKEBRN Clc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409218608 570173620 /nfs/dbraw/zinc/17/36/20/570173620.db2.gz WDLXCLUFNOSIBW-OKCVXOCRSA-N 0 0 482.794 8.769 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409218643 570173704 /nfs/dbraw/zinc/17/37/04/570173704.db2.gz WWRPUSCZBOOKOS-ZVHZXABRSA-N 0 0 494.794 6.020 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409218922 570173715 /nfs/dbraw/zinc/17/37/15/570173715.db2.gz YMIRAHRDWJRZTN-BHGWPJFGSA-N 0 0 476.272 6.670 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409218899 570173722 /nfs/dbraw/zinc/17/37/22/570173722.db2.gz XYBPHSFKZOFOHE-WSDLNYQXSA-N 0 0 455.723 5.967 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409220728 570174213 /nfs/dbraw/zinc/17/42/13/570174213.db2.gz DZPPQKLZCOQKOW-BUFWBFRFSA-N 0 0 466.965 6.682 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409220815 570174274 /nfs/dbraw/zinc/17/42/74/570174274.db2.gz GFRLVVWEHCPRGM-YMERHICUSA-N 0 0 471.351 6.472 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 ZINC000409221130 570174414 /nfs/dbraw/zinc/17/44/14/570174414.db2.gz LGICJXRRXPMFPC-VXLYETTFSA-N 0 0 474.325 6.362 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409221044 570174459 /nfs/dbraw/zinc/17/44/59/570174459.db2.gz JWNFBYPLLTXFLO-QNARCQNLSA-N 0 0 471.897 6.271 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000409222097 570174893 /nfs/dbraw/zinc/17/48/93/570174893.db2.gz AXIOFOFCAOCHFJ-ZMOGYAJESA-N 0 0 468.307 5.434 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409223521 570175281 /nfs/dbraw/zinc/17/52/81/570175281.db2.gz ZVSYLDOXTFHAOP-LPYMAVHISA-N 0 0 496.394 7.027 40 30 JKEBRN CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409224067 570175421 /nfs/dbraw/zinc/17/54/21/570175421.db2.gz HHKLRFRUHDPHHO-GPCSKMTCSA-N 0 0 469.585 6.761 40 30 JKEBRN O=C(COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)Nc1ccc(Cl)cc1 ZINC000409224808 570175738 /nfs/dbraw/zinc/17/57/38/570175738.db2.gz MUUDGRBHPNDIAG-UHFFFAOYSA-N 0 0 476.960 5.059 40 30 JKEBRN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c2)cc1 ZINC000409225449 570175841 /nfs/dbraw/zinc/17/58/41/570175841.db2.gz PVOOHGYEIWJVCO-UHFFFAOYSA-N 0 0 457.526 5.141 40 30 JKEBRN O=C(COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1)Nc1ccc(Cl)cc1 ZINC000409226730 570176100 /nfs/dbraw/zinc/17/61/00/570176100.db2.gz SAVSLWKZOCSBOT-UHFFFAOYSA-N 0 0 477.944 5.486 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409227573 570176306 /nfs/dbraw/zinc/17/63/06/570176306.db2.gz QBLVYWUPQWFZQV-RGVLZGJSSA-N 0 0 475.372 5.612 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409228245 570176552 /nfs/dbraw/zinc/17/65/52/570176552.db2.gz WJFRITNTLRKLBP-DISDYRDVSA-N 0 0 473.381 6.886 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409228190 570176585 /nfs/dbraw/zinc/17/65/85/570176585.db2.gz VPDOXQGJBFUMKH-HLMYEUOZSA-N 0 0 490.003 7.106 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409228633 570176719 /nfs/dbraw/zinc/17/67/19/570176719.db2.gz BVRCLLBLJHASCM-CIAFOILYSA-N 0 0 464.978 5.046 40 30 JKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c1 ZINC000409228707 570176737 /nfs/dbraw/zinc/17/67/37/570176737.db2.gz CXLUFAYOIDZKJT-YDZHTSKRSA-N 0 0 494.016 6.043 40 30 JKEBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409228857 570176845 /nfs/dbraw/zinc/17/68/45/570176845.db2.gz GAYFYJTXRYGERH-VCHYOVAHSA-N 0 0 495.384 5.144 40 30 JKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(C)cc4Br)o3)cc2)cc1 ZINC000409229904 570177283 /nfs/dbraw/zinc/17/72/83/570177283.db2.gz AUNOTASKMLZOFF-JVWAILMASA-N 0 0 462.343 7.569 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409230019 570177372 /nfs/dbraw/zinc/17/73/72/570177372.db2.gz WLRORNOPLZFCCJ-VFHZPEHISA-N 0 0 459.615 6.343 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409230087 570177425 /nfs/dbraw/zinc/17/74/25/570177425.db2.gz BHOAYDSQIRXYCV-YDZHTSKRSA-N 0 0 450.007 6.564 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409230980 570177786 /nfs/dbraw/zinc/17/77/86/570177786.db2.gz HLDCSHRZFCSWQZ-SNEUTOQVSA-N 0 0 494.616 7.051 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409231252 570177795 /nfs/dbraw/zinc/17/77/95/570177795.db2.gz JBTMYGZSTBXIHV-YBFXNURJSA-N 0 0 461.345 5.222 40 30 JKEBRN COc1cc(N2CCCCC2)ccc1/C=C1\S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O ZINC000409231039 570177798 /nfs/dbraw/zinc/17/77/98/570177798.db2.gz AYPBHADNYFQUNP-DSTPSKMHSA-N 0 0 481.706 6.623 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Br)c1OC ZINC000409231568 570177911 /nfs/dbraw/zinc/17/79/11/570177911.db2.gz JXKQIWDSXAYVMT-UQACLUTFSA-N 0 0 479.371 5.619 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409231370 570177986 /nfs/dbraw/zinc/17/79/86/570177986.db2.gz CMMCDZJNXZPIJC-ZTQANLJXSA-N 0 0 476.583 5.940 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)cc2)cc1 ZINC000409231305 570177993 /nfs/dbraw/zinc/17/79/93/570177993.db2.gz BTWXLIXKZSFXEV-MOSHPQCFSA-N 0 0 471.434 7.345 40 30 JKEBRN COCCCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409231984 570178159 /nfs/dbraw/zinc/17/81/59/570178159.db2.gz GMDSCNDOEDECCE-BUVRLJJBSA-N 0 0 458.539 5.363 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409232368 570178319 /nfs/dbraw/zinc/17/83/19/570178319.db2.gz OHKICDRTWLDUPW-MNEJGJRCSA-N 0 0 476.573 6.346 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)cc1 ZINC000409232611 570178431 /nfs/dbraw/zinc/17/84/31/570178431.db2.gz AJNFQEZFPCNOEV-PCLIKHOPSA-N 0 0 471.557 6.119 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409232942 570178526 /nfs/dbraw/zinc/17/85/26/570178526.db2.gz TVMWJLVUTKGARC-VOEQRCGISA-N 0 0 494.563 6.566 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409233039 570178568 /nfs/dbraw/zinc/17/85/68/570178568.db2.gz CZHUZAKCQGQKRB-CMNMZUORSA-N 0 0 476.554 5.674 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)cc2)cc1 ZINC000409233329 570178697 /nfs/dbraw/zinc/17/86/97/570178697.db2.gz FPBDELVLKQHGAG-XKZIYDEJSA-N 0 0 451.016 7.000 40 30 JKEBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409233681 570178791 /nfs/dbraw/zinc/17/87/91/570178791.db2.gz WAHGCBYIVKKNLW-WBLURPLBSA-N 0 0 483.637 6.490 40 30 JKEBRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)C2=O)c1 ZINC000409233984 570178912 /nfs/dbraw/zinc/17/89/12/570178912.db2.gz VETKWQJJZGSLSE-FSJBWODESA-N 0 0 492.362 5.845 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409233919 570178932 /nfs/dbraw/zinc/17/89/32/570178932.db2.gz UQEPNVFTQPVFSY-JEJOEQLISA-N 0 0 488.609 6.215 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000409234449 570178991 /nfs/dbraw/zinc/17/89/91/570178991.db2.gz WTBGNPXAEBDRCP-IJNUXEFVSA-N 0 0 450.567 6.298 40 30 JKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Oc5ccccc5Cl)cc4)ccc32)c1 ZINC000409234351 570179014 /nfs/dbraw/zinc/17/90/14/570179014.db2.gz ZNCRDPBYMFRFIE-MNBJERMJSA-N 0 0 454.932 8.025 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OC(C)C ZINC000409234622 570179178 /nfs/dbraw/zinc/17/91/78/570179178.db2.gz MAYFJRVUDMMGHS-OVUHUNGESA-N 0 0 462.974 6.289 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409234655 570179179 /nfs/dbraw/zinc/17/91/79/570179179.db2.gz OMYQEVQFQDDLQH-CIAFOILYSA-N 0 0 489.399 6.002 40 30 JKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(I)cc4)ccc32)c1 ZINC000409234821 570179312 /nfs/dbraw/zinc/17/93/12/570179312.db2.gz MTHRTOFPEUBVTJ-AFUMVMLFSA-N 0 0 454.286 6.184 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)S/C1=N/c1ccc(F)cc1 ZINC000409235105 570179369 /nfs/dbraw/zinc/17/93/69/570179369.db2.gz AKBDNIBCOBMWPD-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN CC[C@@H](C)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328959356 570179384 /nfs/dbraw/zinc/17/93/84/570179384.db2.gz ATLZEJNBEFDYBA-SNVBAGLBSA-N 0 0 489.395 6.248 40 30 JKEBRN CC[C@H](C)Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328959354 570179460 /nfs/dbraw/zinc/17/94/60/570179460.db2.gz ATLZEJNBEFDYBA-JTQLQIEISA-N 0 0 489.395 6.248 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2C)c(C)c1 ZINC000409235730 570179620 /nfs/dbraw/zinc/17/96/20/570179620.db2.gz QBYSWBOPMCOPSO-YDZHTSKRSA-N 0 0 494.016 6.043 40 30 JKEBRN CC(=O)Nc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328965989 570179700 /nfs/dbraw/zinc/17/97/00/570179700.db2.gz CIDJOGBPXBQRDQ-NRFANRHFSA-N 0 0 489.498 5.823 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409236288 570179869 /nfs/dbraw/zinc/17/98/69/570179869.db2.gz DEACNMMRRIBOPP-KVFPXDIISA-N 0 0 489.597 5.513 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)c1C ZINC000409236407 570179874 /nfs/dbraw/zinc/17/98/74/570179874.db2.gz FWSDJMVZSHWPOT-MFKUBSTISA-N 0 0 455.558 6.337 40 30 JKEBRN CCOc1cc(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1O ZINC000409236303 570179876 /nfs/dbraw/zinc/17/98/76/570179876.db2.gz DKCQEEVVWQNSPK-LZYBPNLTSA-N 0 0 467.772 5.407 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409236301 570179924 /nfs/dbraw/zinc/17/99/24/570179924.db2.gz DJYQPZPFLSTDFS-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000409236608 570180006 /nfs/dbraw/zinc/18/00/06/570180006.db2.gz SFOUWEYRJQCYOJ-XDHOZWIPSA-N 0 0 461.370 5.604 40 30 JKEBRN CC[C@H](C)Nc1nc(Nc2ccc(NC(C)=O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328969971 570180023 /nfs/dbraw/zinc/18/00/23/570180023.db2.gz DHPGGZUFBALGQV-AWEZNQCLSA-N 0 0 459.472 6.604 40 30 JKEBRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl ZINC000409237738 570180543 /nfs/dbraw/zinc/18/05/43/570180543.db2.gz LJKMLYDQEZCFBX-LZYBPNLTSA-N 0 0 485.776 5.399 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc2n1Cc1ccccc1F ZINC000409237861 570180608 /nfs/dbraw/zinc/18/06/08/570180608.db2.gz KAFGAIXQDJPDLT-AFUMVMLFSA-N 0 0 490.003 6.991 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000409237854 570180625 /nfs/dbraw/zinc/18/06/25/570180625.db2.gz JYQDUVNZINBWSM-JEJOEQLISA-N 0 0 467.594 6.322 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409237777 570180642 /nfs/dbraw/zinc/18/06/42/570180642.db2.gz LUCQAZSIXIOOEU-SYSYQHCJSA-N 0 0 464.522 5.765 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409238672 570180885 /nfs/dbraw/zinc/18/08/85/570180885.db2.gz KTEWNVBEZIZOEK-GPCSKMTCSA-N 0 0 490.600 6.736 40 30 JKEBRN COc1ccc(Oc2ccc(/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)cc2)cc1 ZINC000409239482 570181306 /nfs/dbraw/zinc/18/13/06/570181306.db2.gz NRAOUCDITFDOKN-DXJNIWACSA-N 0 0 450.513 7.380 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000409239684 570181362 /nfs/dbraw/zinc/18/13/62/570181362.db2.gz IJNMVWZZUHMOCC-VXLYETTFSA-N 0 0 495.826 6.100 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409239815 570181423 /nfs/dbraw/zinc/18/14/23/570181423.db2.gz FHIWJPYUKDGEIH-RUWCJYDTSA-N 0 0 469.763 5.874 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)S1 ZINC000409240230 570181589 /nfs/dbraw/zinc/18/15/89/570181589.db2.gz KCEFXLDJQCYFFP-WOJGMQOQSA-N 0 0 461.395 6.938 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409240483 570181736 /nfs/dbraw/zinc/18/17/36/570181736.db2.gz PZQOOCVQYWXWGM-OFSJXLMGSA-N 0 0 494.504 5.554 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409240605 570181772 /nfs/dbraw/zinc/18/17/72/570181772.db2.gz LLFKSWDUTNMONV-PXLXIMEGSA-N 0 0 467.974 5.716 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409240653 570181802 /nfs/dbraw/zinc/18/18/02/570181802.db2.gz LQERXXOFYQWHRB-TWDJDDHFSA-N 0 0 497.414 6.650 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409241197 570181964 /nfs/dbraw/zinc/18/19/64/570181964.db2.gz JIYAXCVGSVKRQM-CSBWODFHSA-N 0 0 491.588 5.952 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br ZINC000409241751 570182264 /nfs/dbraw/zinc/18/22/64/570182264.db2.gz UNHIXVYKTADYPX-MKFNJMOCSA-N 0 0 479.827 6.480 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)c(C)c1 ZINC000409241996 570182401 /nfs/dbraw/zinc/18/24/01/570182401.db2.gz POMLQTVVHMMNJN-MFKUBSTISA-N 0 0 455.558 6.337 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C#N)S/C1=N/c1ccc(F)cc1 ZINC000409242451 570182513 /nfs/dbraw/zinc/18/25/13/570182513.db2.gz NQDZPSLHUPEREG-FOOOUSIWSA-N 0 0 457.530 5.900 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409242488 570182595 /nfs/dbraw/zinc/18/25/95/570182595.db2.gz VHHUBXYRVNDVRA-MNEJGJRCSA-N 0 0 492.572 6.046 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409242863 570182706 /nfs/dbraw/zinc/18/27/06/570182706.db2.gz WGTKTRGUOZPPNK-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 ZINC000409242890 570182721 /nfs/dbraw/zinc/18/27/21/570182721.db2.gz PNLBJEIHJDVHRZ-PHSRYYMBSA-N 0 0 489.553 5.806 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409243112 570182884 /nfs/dbraw/zinc/18/28/84/570182884.db2.gz YPWROWPMZULLDU-JIPWZDFASA-N 0 0 488.415 7.164 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)N(Cc4cccnc4)C3=O)cc2)cc1 ZINC000409243310 570182981 /nfs/dbraw/zinc/18/29/81/570182981.db2.gz XHZPOANYEIGJSR-DPQPFWEISA-N 0 0 493.657 7.345 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409243572 570183107 /nfs/dbraw/zinc/18/31/07/570183107.db2.gz SQMSPRDKYWASOP-RGVLZGJSSA-N 0 0 496.932 5.644 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409243808 570183200 /nfs/dbraw/zinc/18/32/00/570183200.db2.gz UPSZTNXBIVDDBZ-VFHZPEHISA-N 0 0 459.615 6.343 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1Br ZINC000409244172 570183340 /nfs/dbraw/zinc/18/33/40/570183340.db2.gz YVURRRSZDVJTKV-XNQNREEQSA-N 0 0 489.435 6.259 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409244085 570183350 /nfs/dbraw/zinc/18/33/50/570183350.db2.gz XJJNJJNEGYWBJI-YDZHTSKRSA-N 0 0 464.034 6.873 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409244077 570183352 /nfs/dbraw/zinc/18/33/52/570183352.db2.gz XGYSBLMDCNHBRE-UHJMDALESA-N 0 0 469.006 7.254 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1Br ZINC000409244171 570183378 /nfs/dbraw/zinc/18/33/78/570183378.db2.gz YVURRRSZDVJTKV-VAOMWCJQSA-N 0 0 489.435 6.259 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)o2)c(Br)c1 ZINC000409244442 570183496 /nfs/dbraw/zinc/18/34/96/570183496.db2.gz CSNRGHOZZQAXSX-JAIQZWGSSA-N 0 0 487.806 6.871 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409244597 570183605 /nfs/dbraw/zinc/18/36/05/570183605.db2.gz GAUINRARUZEEEG-DZUMZMOTSA-N 0 0 479.429 6.769 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409245225 570183829 /nfs/dbraw/zinc/18/38/29/570183829.db2.gz PHIJSCLYXFBDND-XNMVVWAFSA-N 0 0 477.561 5.644 40 30 JKEBRN 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OGXRIZSRHJRGAV-UHFFFAOYSA-N 0 0 498.808 6.606 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(C)(C)C)c2ccccc12 ZINC000409323184 570201561 /nfs/dbraw/zinc/20/15/61/570201561.db2.gz OQGJLWBKBJZXBW-KRWDZBQOSA-N 0 0 493.449 6.556 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c(OC)c1 ZINC000409323113 570201571 /nfs/dbraw/zinc/20/15/71/570201571.db2.gz NHQZFEGSACCTGR-UHFFFAOYSA-N 0 0 472.383 5.180 40 30 JKEBRN CCN(CC)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)o1 ZINC000409323486 570201592 /nfs/dbraw/zinc/20/15/92/570201592.db2.gz PEJOGIWUHFHRFZ-UHFFFAOYSA-N 0 0 471.399 5.528 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Br ZINC000409323827 570201681 /nfs/dbraw/zinc/20/16/81/570201681.db2.gz QZMHBYXNGSXKBR-UHFFFAOYSA-N 0 0 463.173 5.146 40 30 JKEBRN Cn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c2ccccc21 ZINC000409324652 570201824 /nfs/dbraw/zinc/20/18/24/570201824.db2.gz UGDQGWHMLUIUAH-UHFFFAOYSA-N 0 0 463.379 5.581 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000409324478 570201830 /nfs/dbraw/zinc/20/18/30/570201830.db2.gz SYKSOMAEOWGIHB-CQSZACIVSA-N 0 0 498.808 6.777 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccccc2)c1C ZINC000409325012 570201927 /nfs/dbraw/zinc/20/19/27/570201927.db2.gz WPVDITHJRRPCQE-INIZCTEOSA-N 0 0 477.406 5.962 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCc1ccc(C)cc1 ZINC000409325222 570201945 /nfs/dbraw/zinc/20/19/45/570201945.db2.gz XXSNZUXGEBNYDR-UHFFFAOYSA-N 0 0 490.401 5.881 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000409325647 570202035 /nfs/dbraw/zinc/20/20/35/570202035.db2.gz ZGUHRUZDVZNWLG-UHFFFAOYSA-N 0 0 497.220 6.089 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)CC ZINC000409325596 570202043 /nfs/dbraw/zinc/20/20/43/570202043.db2.gz ZSFAFFXUHLMLJG-AWEZNQCLSA-N 0 0 487.354 5.079 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OC(C)C)ccc2ccccc21 ZINC000409325780 570202052 /nfs/dbraw/zinc/20/20/52/570202052.db2.gz AYTDMARLFCSUDD-QGZVFWFLSA-N 0 0 492.417 6.495 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n([C@@H](C)CC)c2ccccc12 ZINC000409325993 570202145 /nfs/dbraw/zinc/20/21/45/570202145.db2.gz FIHYLNWUJZNUHD-INIZCTEOSA-N 0 0 479.422 6.228 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCCCC2)o1 ZINC000409326152 570202179 /nfs/dbraw/zinc/20/21/79/570202179.db2.gz HLMCUUPPEIEXMR-INIZCTEOSA-N 0 0 471.399 5.528 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c2ccccc12 ZINC000409326246 570202183 /nfs/dbraw/zinc/20/21/83/570202183.db2.gz IWCFAKYPNHIPTH-OAHLLOKOSA-N 0 0 464.363 5.717 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O[C@@H](C)CC ZINC000409326496 570202238 /nfs/dbraw/zinc/20/22/38/570202238.db2.gz LAASGIMRXFOTGX-AWEZNQCLSA-N 0 0 487.354 5.079 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC)cc1OCC ZINC000409326755 570202291 /nfs/dbraw/zinc/20/22/91/570202291.db2.gz NQLZRTYEMQMEPF-UHFFFAOYSA-N 0 0 472.383 5.181 40 30 JKEBRN C=CCc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc(OCC)c1O ZINC000409326400 570202295 /nfs/dbraw/zinc/20/22/95/570202295.db2.gz KBIUWIFZDAITAC-HNNXBMFYSA-N 0 0 484.394 5.388 40 30 JKEBRN COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409326742 570202323 /nfs/dbraw/zinc/20/23/23/570202323.db2.gz NLWNNWKSRMIVCW-UHFFFAOYSA-N 0 0 485.338 5.006 40 30 JKEBRN CCOc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409327824 570202585 /nfs/dbraw/zinc/20/25/85/570202585.db2.gz WTMXCLFLCCPHNV-UHFFFAOYSA-N 0 0 497.437 5.554 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC(C)=O ZINC000409328057 570202722 /nfs/dbraw/zinc/20/27/22/570202722.db2.gz YNLJCKLFOBMFHI-GFCCVEGCSA-N 0 0 476.758 5.133 40 30 JKEBRN CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409327859 570202737 /nfs/dbraw/zinc/20/27/37/570202737.db2.gz XHZAKOAXFXYDCN-IAGOWNOFSA-N 0 0 499.453 5.798 40 30 JKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1N1CCCC1 ZINC000409328142 570202750 /nfs/dbraw/zinc/20/27/50/570202750.db2.gz ZQXKWLDRNZSRMT-UHFFFAOYSA-N 0 0 493.449 5.998 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409329301 570203308 /nfs/dbraw/zinc/20/33/08/570203308.db2.gz DILXKCZGTAQTOP-UHFFFAOYSA-N 0 0 452.967 5.824 40 30 JKEBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1C#N ZINC000408565596 570203522 /nfs/dbraw/zinc/20/35/22/570203522.db2.gz CLVPTQBJUGZWRI-NRFANRHFSA-N 0 0 461.905 5.689 40 30 JKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408565990 570203592 /nfs/dbraw/zinc/20/35/92/570203592.db2.gz DMGZSZIXULLLIU-HSZRJFAPSA-N 0 0 468.579 5.266 40 30 JKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408565992 570203642 /nfs/dbraw/zinc/20/36/42/570203642.db2.gz DMGZSZIXULLLIU-QHCPKHFHSA-N 0 0 468.579 5.266 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409330057 570203749 /nfs/dbraw/zinc/20/37/49/570203749.db2.gz JHODEPSFIJQFCI-ODLFYWEKSA-N 0 0 456.470 6.243 40 30 JKEBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)cc1 ZINC000409330190 570203842 /nfs/dbraw/zinc/20/38/42/570203842.db2.gz KJXJENFLUUQJPP-YDZHTSKRSA-N 0 0 471.538 5.617 40 30 JKEBRN C#CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408566722 570203847 /nfs/dbraw/zinc/20/38/47/570203847.db2.gz GACZZSZXKUDGFM-IBGZPJMESA-N 0 0 493.372 5.013 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccccc2C#N)o1 ZINC000409330399 570203941 /nfs/dbraw/zinc/20/39/41/570203941.db2.gz ABQGTNNNABDAQR-UHFFFAOYSA-N 0 0 461.319 5.125 40 30 JKEBRN CCOc1cc(C=NN2C(=O)CSC2=S)cc(Br)c1OCc1ccccc1Cl ZINC000409330670 570204080 /nfs/dbraw/zinc/20/40/80/570204080.db2.gz LTTWPPYCESPZEQ-AFPJDJCSSA-N 0 0 499.839 5.274 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O)c(OCC)c1 ZINC000409330826 570204081 /nfs/dbraw/zinc/20/40/81/570204081.db2.gz BOXMIJDJPVQNFK-UHFFFAOYSA-N 0 0 478.774 5.142 40 30 JKEBRN C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC ZINC000408569972 570204443 /nfs/dbraw/zinc/20/44/43/570204443.db2.gz KKVLYUHKRHNQIY-HXUWFJFHSA-N 0 0 474.970 5.303 40 30 JKEBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1ccccc1 ZINC000408569615 570204516 /nfs/dbraw/zinc/20/45/16/570204516.db2.gz JWEYSQNWFKZJNI-DEOSSOPVSA-N 0 0 471.542 5.137 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408571008 570204642 /nfs/dbraw/zinc/20/46/42/570204642.db2.gz MSLYRTWGVGLMPR-HXUWFJFHSA-N 0 0 466.324 6.334 40 30 JKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OCC ZINC000408571288 570204676 /nfs/dbraw/zinc/20/46/76/570204676.db2.gz OGULEKDBPYDYAB-HSZRJFAPSA-N 0 0 484.578 5.048 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408574671 570205484 /nfs/dbraw/zinc/20/54/84/570205484.db2.gz BIKZSBIKFDARQU-UHFFFAOYSA-N 0 0 461.901 5.137 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000408574917 570205602 /nfs/dbraw/zinc/20/56/02/570205602.db2.gz GLMBGBSKEOVVFT-UHFFFAOYSA-N 0 0 455.510 5.182 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)SC1=S ZINC000408575354 570205634 /nfs/dbraw/zinc/20/56/34/570205634.db2.gz NYXUQIQDSIJLMI-BOPFTXTBSA-N 0 0 479.410 5.398 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408575896 570205803 /nfs/dbraw/zinc/20/58/03/570205803.db2.gz OIFXAAPQPKCOSI-UHFFFAOYSA-N 0 0 482.319 5.482 40 30 JKEBRN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408576557 570205983 /nfs/dbraw/zinc/20/59/83/570205983.db2.gz WYFJOSXBKWDYRP-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S ZINC000408577896 570206247 /nfs/dbraw/zinc/20/62/47/570206247.db2.gz VNGZVEVKJLVAHU-JAIQZWGSSA-N 0 0 489.018 5.062 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S ZINC000408578344 570206300 /nfs/dbraw/zinc/20/63/00/570206300.db2.gz XQVGLGYDZCNKQN-LSCVHKIXSA-N 0 0 479.410 5.398 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000408578529 570206369 /nfs/dbraw/zinc/20/63/69/570206369.db2.gz YLCZKSNUMLZHLG-ZDLGFXPLSA-N 0 0 479.410 5.398 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccncc4)n3)sc2C1 ZINC000408580799 570206646 /nfs/dbraw/zinc/20/66/46/570206646.db2.gz DZAXHYPXQAFEFH-OAHLLOKOSA-N 0 0 466.636 5.072 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccco4)n3)sc2C1 ZINC000408581172 570206672 /nfs/dbraw/zinc/20/66/72/570206672.db2.gz HBAPNNCSZPPCPS-ZDUSSCGKSA-N 0 0 455.609 5.270 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nnc(C34CC5CC(CC(C5)C3)C4)o1)CCCC2 ZINC000408582657 570207083 /nfs/dbraw/zinc/20/70/83/570207083.db2.gz OODJVXBQUSLDNJ-UHFFFAOYSA-N 0 0 454.621 5.080 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Cc4ccccc4)o3)sc2C1 ZINC000408582666 570207118 /nfs/dbraw/zinc/20/71/18/570207118.db2.gz OQMMJOSDJVSVKH-QGZVFWFLSA-N 0 0 480.659 5.865 40 30 JKEBRN COc1ccc(-n2c(C)cc(/C=N/c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)c2C)cc1 ZINC000408586013 570208109 /nfs/dbraw/zinc/20/81/09/570208109.db2.gz AJDSWADTELZBOO-FMFFXOCNSA-N 0 0 471.560 7.652 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1F ZINC000408587709 570208391 /nfs/dbraw/zinc/20/83/91/570208391.db2.gz ADNFCLZRTFXUBL-BRJLIKDPSA-N 0 0 489.297 5.635 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408588333 570208525 /nfs/dbraw/zinc/20/85/25/570208525.db2.gz BGUWVKBRFHHDTH-VULFUBBASA-N 0 0 499.361 6.194 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408588591 570208553 /nfs/dbraw/zinc/20/85/53/570208553.db2.gz BYQNQFLKJMWEQF-LGJNPRDNSA-N 0 0 458.873 5.916 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408588675 570208637 /nfs/dbraw/zinc/20/86/37/570208637.db2.gz CGAYFOBPKZFITC-KKMKTNMSSA-N 0 0 490.184 6.757 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 ZINC000408589071 570208673 /nfs/dbraw/zinc/20/86/73/570208673.db2.gz CVVMRJLSLFLVNS-BHGWPJFGSA-N 0 0 476.272 5.940 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1 ZINC000408589149 570208688 /nfs/dbraw/zinc/20/86/88/570208688.db2.gz DCVKPGWLTKOUAP-VULFUBBASA-N 0 0 499.361 6.194 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2F)c(I)c1 ZINC000408588945 570208703 /nfs/dbraw/zinc/20/87/03/570208703.db2.gz CKLKTPAAXMFYSJ-LGJNPRDNSA-N 0 0 486.284 5.432 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 ZINC000408589101 570208705 /nfs/dbraw/zinc/20/87/05/570208705.db2.gz DAWGLSXCPBBVNC-WYMPLXKRSA-N 0 0 475.726 6.140 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccccc1 ZINC000408589566 570208823 /nfs/dbraw/zinc/20/88/23/570208823.db2.gz LXYSWRBHCMWUNP-VSALIHFZSA-N 0 0 471.560 5.320 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408589698 570208864 /nfs/dbraw/zinc/20/88/64/570208864.db2.gz FOXBSWPJPQMFGK-OKCVXOCRSA-N 0 0 456.929 6.503 40 30 JKEBRN N#Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2Br)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408589670 570208892 /nfs/dbraw/zinc/20/88/92/570208892.db2.gz MQLJUUUKOFIFOB-JFLMPSFJSA-N 0 0 472.298 6.907 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408590284 570209003 /nfs/dbraw/zinc/20/90/03/570209003.db2.gz HFJKDABTPGLBCZ-KKMKTNMSSA-N 0 0 490.184 6.757 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 ZINC000408590735 570209051 /nfs/dbraw/zinc/20/90/51/570209051.db2.gz HRDZHMRNHHKNCB-AFUMVMLFSA-N 0 0 485.334 5.886 40 30 JKEBRN COc1ccc(-c2oc(/N=C/c3ccc(OC(C)C)cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408591185 570209171 /nfs/dbraw/zinc/20/91/71/570209171.db2.gz RUPZXBDUUDDUOF-KBVAKVRCSA-N 0 0 482.536 6.746 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408591107 570209214 /nfs/dbraw/zinc/20/92/14/570209214.db2.gz IOKTZDWMGOCXHV-BRJLIKDPSA-N 0 0 489.297 5.635 40 30 JKEBRN Cc1cccc(COc2ccc(Br)cc2/C=N/OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408592542 570209485 /nfs/dbraw/zinc/20/94/85/570209485.db2.gz MKTOQIIAXIEOKH-ZMOGYAJESA-N 0 0 455.308 5.795 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408592566 570209492 /nfs/dbraw/zinc/20/94/92/570209492.db2.gz MPALEIJEAQWYQF-DHRITJCHSA-N 0 0 485.334 5.804 40 30 JKEBRN O=C(Cn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408592536 570209516 /nfs/dbraw/zinc/20/95/16/570209516.db2.gz MKFSFYVLDDDUTD-LGJNPRDNSA-N 0 0 462.893 5.392 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)c1 ZINC000408592577 570209522 /nfs/dbraw/zinc/20/95/22/570209522.db2.gz MRMUCZNYDQZJMT-CVKSISIWSA-N 0 0 457.442 5.786 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408593070 570209603 /nfs/dbraw/zinc/20/96/03/570209603.db2.gz OSNCNIDCRLJRPZ-WYMPLXKRSA-N 0 0 471.853 5.295 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408593316 570209683 /nfs/dbraw/zinc/20/96/83/570209683.db2.gz PGWXWNKZWLVFMC-LGJNPRDNSA-N 0 0 475.328 6.430 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S ZINC000409352246 1149375543 /nfs/dbraw/zinc/37/55/43/1149375543.db2.gz WWOJQTVUGQYJPC-STZFKDTASA-N 0 0 452.601 5.215 40 30 JKEBRN C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257555487 291548787 /nfs/dbraw/zinc/54/87/87/291548787.db2.gz UMTABACRBSGXGK-VWHSFPNSSA-N 0 0 458.727 6.517 40 30 biogenic,in-vitro JKEBRN C[C@H](C[C@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257555486 291548802 /nfs/dbraw/zinc/54/88/02/291548802.db2.gz UMTABACRBSGXGK-JGIIOLSJSA-N 0 0 458.727 6.517 40 30 biogenic,in-vitro JKEBRN Cc1cc(-c2ccc(/C=N/c3ccc4c(c3)C(=O)Nc3ccccc3O4)o2)c([N+](=O)[O-])cc1C ZINC000000974469 193994711 /nfs/dbraw/zinc/99/47/11/193994711.db2.gz JXZWRAHCNIKGRZ-MZJWZYIUSA-N 0 0 453.454 6.580 40 30 JKEBRN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N(C)C ZINC000001105990 194025483 /nfs/dbraw/zinc/02/54/83/194025483.db2.gz CLNYKCSNEBWTDF-MHZLTWQESA-N 0 0 470.569 6.218 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 ZINC000001461729 194124404 /nfs/dbraw/zinc/12/44/04/194124404.db2.gz OKJHMWZJMYXPJR-UHFFFAOYSA-N 0 0 475.560 5.847 40 30 JKEBRN CC(C)(C)c1ccc2c(c1)[C@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1 ZINC000001564310 194128126 /nfs/dbraw/zinc/12/81/26/194128126.db2.gz LWUZJNVYLHZNBG-HEVIKAOCSA-N 0 0 468.596 5.873 40 30 JKEBRN CCc1ccc2c(c1)C(O)(C#Cc1ccccc1)c1cc(CC)ccc1C2(O)C#Cc1ccccc1 ZINC000001564283 194128140 /nfs/dbraw/zinc/12/81/40/194128140.db2.gz JOTQXQTXGWBINN-UHFFFAOYSA-N 0 0 468.596 5.700 40 30 JKEBRN CCCN(C(=O)c1ccccc1)[C@@H](C#N)c1ccc([C@@H](C#N)N(CCC)C(=O)c2ccccc2)cc1 ZINC000001647939 194130621 /nfs/dbraw/zinc/13/06/21/194130621.db2.gz OFOKBZWIWDQVOD-HNRBIFIRSA-N 0 0 478.596 5.921 40 30 JKEBRN COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br ZINC000002942287 194175188 /nfs/dbraw/zinc/17/51/88/194175188.db2.gz ODEYGHNWBXWKCJ-MLZQUUFASA-N 0 0 478.302 6.590 40 30 JKEBRN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1 ZINC000003066616 194223659 /nfs/dbraw/zinc/22/36/59/194223659.db2.gz LDYOIISDLRGBBD-FSJBWODESA-N 0 0 458.686 6.503 40 30 JKEBRN COc1cc(Br)cc(/C=N/c2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1O ZINC000003068507 194224097 /nfs/dbraw/zinc/22/40/97/194224097.db2.gz SQLCHORGSNAUKQ-RPPGKUMJSA-N 0 0 465.347 6.647 40 30 JKEBRN O=C(Oc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003089057 194224762 /nfs/dbraw/zinc/22/47/62/194224762.db2.gz BKIQTXKCKWUQIZ-FOKLQQMPSA-N 0 0 460.229 5.780 40 30 JKEBRN CC(C)(C)C1=CC(C2=C[C@](Cl)(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)=C[C@](Cl)(C(C)(C)C)C1=O ZINC000003100867 194225843 /nfs/dbraw/zinc/22/58/43/194225843.db2.gz IVDGXSYXVIWDAE-VSGBNLITSA-N 0 0 479.532 7.997 40 30 JKEBRN CCCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCCC2 ZINC000003146302 194231995 /nfs/dbraw/zinc/23/19/95/194231995.db2.gz BQRUTMFWTSRQII-UHFFFAOYSA-N 0 0 485.368 5.600 40 30 JKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2cc(-c3ccccc3)ccc2O)c1O ZINC000003191508 194236891 /nfs/dbraw/zinc/23/68/91/194236891.db2.gz PPCNAHDWTCGIAS-WYMPLXKRSA-N 0 0 491.179 6.439 40 30 JKEBRN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000003190961 194236977 /nfs/dbraw/zinc/23/69/77/194236977.db2.gz OPPNGDIXERNOLV-DHRITJCHSA-N 0 0 451.320 6.421 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1)c1ccccc1Cl ZINC000003206615 194238986 /nfs/dbraw/zinc/23/89/86/194238986.db2.gz MJXZZGFQTIKXME-FDAWAROLSA-N 0 0 479.919 7.083 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000003208262 194239356 /nfs/dbraw/zinc/23/93/56/194239356.db2.gz ZLDNTSFVPHDUIG-FOKLQQMPSA-N 0 0 472.136 6.476 40 30 JKEBRN FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000003275766 194260097 /nfs/dbraw/zinc/26/00/97/194260097.db2.gz CBLUUYMBEAPIAO-IPPBACCNSA-N 0 0 499.949 6.532 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)o2)cc1[N+](=O)[O-] ZINC000003771180 194361151 /nfs/dbraw/zinc/36/11/51/194361151.db2.gz OYSHAHVTZNKXEY-NTFVMDSBSA-N 0 0 491.613 6.917 40 30 JKEBRN CC1=CC(O)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004266918 194386718 /nfs/dbraw/zinc/38/67/18/194386718.db2.gz OIEKVVDJPPURMU-IEIYBMBQSA-N 0 0 488.709 6.392 40 30 JKEBRN C=CCn1c2ccccc2nc1-c1ccc(/C=C\c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000004522405 194391471 /nfs/dbraw/zinc/39/14/71/194391471.db2.gz XUANEUGIBQGMFI-QXMHVHEDSA-N 0 0 452.561 7.603 40 30 JKEBRN N#Cc1ccc(/C=C(/Cl)c2cccc(/C(Cl)=C\c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000004701192 194393787 /nfs/dbraw/zinc/39/37/87/194393787.db2.gz BKAYJXRACNGPAY-XHQRYOPUSA-N 0 0 491.290 6.720 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@@H]2c1cccc(Cl)c1 ZINC000004764154 194396645 /nfs/dbraw/zinc/39/66/45/194396645.db2.gz ZFVQNKGLXSUZHH-AECOYVPUSA-N 0 0 486.008 5.219 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000004786531 194398602 /nfs/dbraw/zinc/39/86/02/194398602.db2.gz XQGNXCNTKJGAAO-RHZWSATBSA-N 0 0 492.399 5.092 40 30 JKEBRN CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)CC(=O)[C@]3(CC=C(C)C)C/C=C(\C)CO ZINC000005479293 194406204 /nfs/dbraw/zinc/40/62/04/194406204.db2.gz SGUDGTARBCYZOQ-SYXOMWOLSA-N 0 0 476.613 6.629 40 30 JKEBRN Oc1ccc2ccccc2c1/C=N\N=c1\[nH][nH]/c(=N\N=C/c2c(O)ccc3ccccc32)c2ccccc21 ZINC000004946384 194401706 /nfs/dbraw/zinc/40/17/06/194401706.db2.gz OPZYCVOEPLMKQK-KUUUIRGPSA-N 0 0 498.546 5.083 40 30 JKEBRN CC(C)(C)c1ccc(/C=N/OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 ZINC000012652520 195076819 /nfs/dbraw/zinc/07/68/19/195076819.db2.gz QKMWFYJRQJWDOC-GRIZMQLISA-N 0 0 463.965 5.959 40 30 JKEBRN C#C[C@H]1C[C@]2(C)[C@H]3C=CC4=C5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C(C)(C)[C@@H]1O ZINC000012658456 195078906 /nfs/dbraw/zinc/07/89/06/195078906.db2.gz ZZCNSZHRBUQFSV-LPGSJNQLSA-N 0 0 464.734 6.921 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000020761511 195217943 /nfs/dbraw/zinc/21/79/43/195217943.db2.gz SFFHFQGIASFWRJ-LGJNPRDNSA-N 0 0 489.797 5.822 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl ZINC000020761627 195217977 /nfs/dbraw/zinc/21/79/77/195217977.db2.gz KHGJZUUFPITGIY-MZJWZYIUSA-N 0 0 459.373 6.103 40 30 JKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000020762767 195218819 /nfs/dbraw/zinc/21/88/19/195218819.db2.gz JUAWOFOWDDKHAJ-VULFUBBASA-N 0 0 459.771 5.814 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1Cl ZINC000020763220 195219134 /nfs/dbraw/zinc/21/91/34/195219134.db2.gz VSFYUZCVBVKYQL-MZJWZYIUSA-N 0 0 459.373 6.103 40 30 JKEBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000021267194 195292560 /nfs/dbraw/zinc/29/25/60/195292560.db2.gz ZSVMMEJGGSUYAY-UKILVPOCSA-N 0 0 464.565 5.383 40 30 JKEBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000021267206 195292734 /nfs/dbraw/zinc/29/27/34/195292734.db2.gz ZSVMMEJGGSUYAY-NOZRDPDXSA-N 0 0 464.565 5.383 40 30 JKEBRN COc1ccc(Br)cc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000058826862 195380683 /nfs/dbraw/zinc/38/06/83/195380683.db2.gz SOXROIQISXZCLU-DICXZTSXSA-N 0 0 483.431 6.079 40 30 JKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2 ZINC000058826839 195380714 /nfs/dbraw/zinc/38/07/14/195380714.db2.gz QTEUQYVPEDUWGZ-YSMPRRRNSA-N 0 0 453.405 6.070 40 30 JKEBRN COC(=O)c1ccccc1/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc21 ZINC000058871785 195385950 /nfs/dbraw/zinc/38/59/50/195385950.db2.gz GSMZCFPQLWYDDC-OKCVXOCRSA-N 0 0 499.975 7.464 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000058884152 195386261 /nfs/dbraw/zinc/38/62/61/195386261.db2.gz FRGLRGZTQTVMAV-UJBXUPAJSA-N 0 0 483.355 5.669 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000058883898 195386330 /nfs/dbraw/zinc/38/63/30/195386330.db2.gz WSFAZHVWLGHRAY-OYKKKHCWSA-N 0 0 494.374 6.450 40 30 JKEBRN COc1ccc(-c2oc(/N=C/c3ccc(OC)cc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000058962571 195386484 /nfs/dbraw/zinc/38/64/84/195386484.db2.gz SIXULPRFTLGQAR-OCSSWDANSA-N 0 0 468.509 6.270 40 30 JKEBRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000058960211 195386518 /nfs/dbraw/zinc/38/65/18/195386518.db2.gz FMILYYAPEILRMQ-UHFFFAOYSA-N 0 0 488.560 6.014 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000059102802 195387427 /nfs/dbraw/zinc/38/74/27/195387427.db2.gz QAGDPQLQMNKHKF-NDEPHWFRSA-N 0 0 491.672 7.503 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000059102900 195387670 /nfs/dbraw/zinc/38/76/70/195387670.db2.gz ILYAFRKAFLQDCH-AREMUKBSSA-N 0 0 478.633 6.589 40 30 JKEBRN Cc1c(Br)c(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1ccccc1 ZINC000059104135 195387713 /nfs/dbraw/zinc/38/77/13/195387713.db2.gz VUHCYLOZSQMKDS-MOSHPQCFSA-N 0 0 466.404 6.057 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1CC ZINC000059104308 195387731 /nfs/dbraw/zinc/38/77/31/195387731.db2.gz XBRZWOSYPOJBFH-KHHYFDFNSA-N 0 0 495.442 6.493 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104230 195387754 /nfs/dbraw/zinc/38/77/54/195387754.db2.gz PNUVZBUVERKYGW-BGTPXQLESA-N 0 0 456.611 6.937 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 ZINC000059102854 195387781 /nfs/dbraw/zinc/38/77/81/195387781.db2.gz DFSAHJZJBYESJB-MHZLTWQESA-N 0 0 493.644 6.900 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C(=O)N1CC ZINC000059104350 195387992 /nfs/dbraw/zinc/38/79/92/195387992.db2.gz SESQMYGKZHDYSS-KXKATKOTSA-N 0 0 493.398 5.488 40 30 JKEBRN C/N=C1/S/C(=C\c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N1C ZINC000059104505 195388057 /nfs/dbraw/zinc/38/80/57/195388057.db2.gz JORWIWBMYXBGEM-BQDZKJHTSA-N 0 0 498.773 5.056 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)N1CC ZINC000059104522 195388089 /nfs/dbraw/zinc/38/80/89/195388089.db2.gz JHFLLPCFCXLGLW-VDJWSQCXSA-N 0 0 489.981 5.538 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1F ZINC000059104698 195388220 /nfs/dbraw/zinc/38/82/20/195388220.db2.gz OWUQKXRVJDDSOS-ZXQIJLNISA-N 0 0 454.567 5.454 40 30 JKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3c(C)n(-c4ccccc4)c(C)c3Br)S2)cc1 ZINC000059104912 195388224 /nfs/dbraw/zinc/38/82/24/195388224.db2.gz CDMIVEWXMLMRRZ-STZFKDTASA-N 0 0 480.431 6.311 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000059104845 195388309 /nfs/dbraw/zinc/38/83/09/195388309.db2.gz VXYXWDXGNZTEPE-ZOVWXIRQSA-N 0 0 457.393 5.289 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)N1CC ZINC000059104773 195388313 /nfs/dbraw/zinc/38/83/13/195388313.db2.gz VMIZQCUEVLBAOD-AYJRXSIJSA-N 0 0 479.429 6.283 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000059105014 195388485 /nfs/dbraw/zinc/38/84/85/195388485.db2.gz XBVNXLAZRXONRZ-USFSGSQCSA-N 0 0 495.826 5.612 40 30 JKEBRN C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)C(=O)N1C ZINC000059105131 195388498 /nfs/dbraw/zinc/38/84/98/195388498.db2.gz BVKJRLYYVIBLMQ-PQUPTFKKSA-N 0 0 465.800 5.522 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1CC ZINC000059105152 195388606 /nfs/dbraw/zinc/38/86/06/195388606.db2.gz SQCNBACTQGVAAR-HSVKZCTASA-N 0 0 469.821 6.538 40 30 JKEBRN Cc1c(Br)c(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Br)cc1 ZINC000059105033 195388669 /nfs/dbraw/zinc/38/86/69/195388669.db2.gz AQYUBXVDWLOMJL-LSHDLFTRSA-N 0 0 493.159 5.368 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)N1CC ZINC000059105012 195388671 /nfs/dbraw/zinc/38/86/71/195388671.db2.gz RSXBYMBVVXCANW-WLGCULAMSA-N 0 0 475.408 5.349 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2Br)cc1 ZINC000059105845 195388734 /nfs/dbraw/zinc/38/87/34/195388734.db2.gz NHPWCHZVHVTVJP-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000059105820 195388846 /nfs/dbraw/zinc/38/88/46/195388846.db2.gz OWAPBRPMWXLXSV-ZMOGYAJESA-N 0 0 452.514 5.592 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000059106005 195388948 /nfs/dbraw/zinc/38/89/48/195388948.db2.gz FPYQDGNGNVKYSJ-YDZHTSKRSA-N 0 0 461.949 6.374 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC ZINC000059106051 195388965 /nfs/dbraw/zinc/38/89/65/195388965.db2.gz LQMBIUOUWZQBBG-LDADJPATSA-N 0 0 477.355 5.443 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000059105901 195388967 /nfs/dbraw/zinc/38/89/67/195388967.db2.gz JZCORERJDFQASD-CIAFOILYSA-N 0 0 486.927 6.097 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000059106100 195389031 /nfs/dbraw/zinc/38/90/31/195389031.db2.gz FHJJUJLDTCILFA-BUVRLJJBSA-N 0 0 492.547 6.173 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137107 195391830 /nfs/dbraw/zinc/39/18/30/195391830.db2.gz IXVSGZGBVFCEQU-NDENLUEZSA-N 0 0 470.367 5.887 40 30 JKEBRN O=C1N/C(=N\c2ccc(Br)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)o1 ZINC000059138449 195391950 /nfs/dbraw/zinc/39/19/50/195391950.db2.gz BUSQYWXCWDRFDZ-GDNBJRDFSA-N 0 0 452.761 5.187 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4Cl)NC3=O)o2)cc1 ZINC000059137838 195392034 /nfs/dbraw/zinc/39/20/34/195392034.db2.gz GZSKNCUGGMVGNZ-BOPFTXTBSA-N 0 0 461.395 6.938 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(Cl)c(Cl)c4)NC3=O)o2)cc1 ZINC000059137861 195392119 /nfs/dbraw/zinc/39/21/19/195392119.db2.gz BEJJNCAKSXJYBQ-WQRHYEAKSA-N 0 0 461.395 6.938 40 30 JKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000059137844 195392129 /nfs/dbraw/zinc/39/21/29/195392129.db2.gz SAEGTDVXGNWMHV-WHQHWOLESA-N 0 0 496.657 7.412 40 30 JKEBRN CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc(C=O)cc1 ZINC000059171427 195393300 /nfs/dbraw/zinc/39/33/00/195393300.db2.gz JJHUYRCJBPGYLV-UHFFFAOYSA-N 0 0 457.787 10.147 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000059176524 195393508 /nfs/dbraw/zinc/39/35/08/195393508.db2.gz MJKSPINKKMFSPD-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN COc1cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)ccc1OCc1ccccc1C#N ZINC000059186115 195393827 /nfs/dbraw/zinc/39/38/27/195393827.db2.gz USFJJOHMXKLEKG-JMIUGGIZSA-N 0 0 450.416 5.657 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 ZINC000059193748 195393983 /nfs/dbraw/zinc/39/39/83/195393983.db2.gz WLPSYCQMRCYYQQ-UVHMKAGCSA-N 0 0 482.392 7.091 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 ZINC000059193726 195394033 /nfs/dbraw/zinc/39/40/33/195394033.db2.gz RHPPNZDXNWLJCZ-CCVNUDIWSA-N 0 0 498.435 7.541 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl ZINC000059193567 195394072 /nfs/dbraw/zinc/39/40/72/195394072.db2.gz RKMDXQZPKAOTRS-UHFFFAOYSA-N 0 0 464.945 6.056 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059194481 195394246 /nfs/dbraw/zinc/39/42/46/195394246.db2.gz PYQCVXUOLQODEL-BUVRLJJBSA-N 0 0 467.572 5.217 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Cl ZINC000059194418 195394250 /nfs/dbraw/zinc/39/42/50/195394250.db2.gz VZQSOHVABIBARD-AFUMVMLFSA-N 0 0 451.935 6.014 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000059194452 195394341 /nfs/dbraw/zinc/39/43/41/195394341.db2.gz WUUXPGFETARWBT-AFUMVMLFSA-N 0 0 451.935 6.014 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000059224064 195395083 /nfs/dbraw/zinc/39/50/83/195395083.db2.gz QJNXAKPDZCVFNK-CFRMEGHHSA-N 0 0 489.553 5.691 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S1 ZINC000059224362 195395333 /nfs/dbraw/zinc/39/53/33/195395333.db2.gz QJRKSVNULNSKHN-MSXFZWOLSA-N 0 0 492.431 7.196 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 ZINC000059224355 195395358 /nfs/dbraw/zinc/39/53/58/195395358.db2.gz LHTAUZYQSRUWKE-MSXFZWOLSA-N 0 0 475.976 6.682 40 30 JKEBRN Clc1ccc(Sc2oc(C=NN=c3ccc4ccccc4[nH]3)cc2Br)cc1 ZINC000059248285 195395793 /nfs/dbraw/zinc/39/57/93/195395793.db2.gz MJBYVQCAZQOFME-FSJBWODESA-N 0 0 458.768 6.841 40 30 JKEBRN COC(=O)c1cc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1Cl ZINC000059249772 195396030 /nfs/dbraw/zinc/39/60/30/195396030.db2.gz LFDUKQPNEBQEQP-AUEPDCJTSA-N 0 0 485.186 7.037 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000059265854 195396472 /nfs/dbraw/zinc/39/64/72/195396472.db2.gz GZOMVQYMHJNUON-UHFFFAOYSA-N 0 0 477.815 5.586 40 30 JKEBRN CCOC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059302797 195397275 /nfs/dbraw/zinc/39/72/75/195397275.db2.gz REWOYPVSGRVMGZ-FSJBWODESA-N 0 0 464.768 6.774 40 30 JKEBRN Brc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000059302341 195397293 /nfs/dbraw/zinc/39/72/93/195397293.db2.gz FGZFFUZBIWMIDR-RDRPBHBLSA-N 0 0 459.431 7.458 40 30 JKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C ZINC000059302655 195397307 /nfs/dbraw/zinc/39/73/07/195397307.db2.gz BGDYMPPJFSQSMB-BIZUNTBRSA-N 0 0 495.692 7.908 40 30 JKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1cc(Br)c(N2CCCC2)o1 ZINC000059302666 195397339 /nfs/dbraw/zinc/39/73/39/195397339.db2.gz UMFCAATYDGMHSR-DHDCSXOGSA-N 0 0 487.206 5.841 40 30 JKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059302538 195397366 /nfs/dbraw/zinc/39/73/66/195397366.db2.gz OLLKMKRFFKENKR-ZCTHSVRISA-N 0 0 481.665 7.214 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1OC ZINC000059398725 195398806 /nfs/dbraw/zinc/39/88/06/195398806.db2.gz DUTUFWUTETVMFS-BOPFTXTBSA-N 0 0 479.783 5.568 40 30 JKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2Cc2ccccc2)c1O ZINC000059417159 195399321 /nfs/dbraw/zinc/39/93/21/195399321.db2.gz JSLOHEZZXBXCAO-HNSNBQBZSA-N 0 0 491.509 7.943 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)c2C)cc1 ZINC000059427422 195401454 /nfs/dbraw/zinc/40/14/54/195401454.db2.gz YXRPMVKIZZCZMX-HAHDFKILSA-N 0 0 459.571 5.471 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000059435515 195402321 /nfs/dbraw/zinc/40/23/21/195402321.db2.gz UPIWWZMMKPVDRL-JAPPBMLESA-N 0 0 475.592 6.033 40 30 JKEBRN CN(C)c1oc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000059437407 195402371 /nfs/dbraw/zinc/40/23/71/195402371.db2.gz RRQLJWRQRCFVSJ-DRMKFXMXSA-N 0 0 496.430 5.781 40 30 JKEBRN COc1cc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1OCc1ccccc1Cl ZINC000059483141 195404972 /nfs/dbraw/zinc/40/49/72/195404972.db2.gz QCXUBGXSYKNTEH-BIZUNTBRSA-N 0 0 493.994 7.531 40 30 JKEBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484849 195405727 /nfs/dbraw/zinc/40/57/27/195405727.db2.gz WVSGINFGKGSXSZ-PRGMTJJQSA-N 0 0 453.394 6.666 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)c1sc2ccccc2c1Cl ZINC000059500702 195408048 /nfs/dbraw/zinc/40/80/48/195408048.db2.gz AVFWHYGVPBYBJQ-DHRITJCHSA-N 0 0 470.775 7.287 40 30 JKEBRN O=[N+]([O-])c1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000059506169 195408499 /nfs/dbraw/zinc/40/84/99/195408499.db2.gz LAUMCXRZHFWXMR-VVLOWPPNSA-N 0 0 473.576 7.223 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccccc3)c2)cc1 ZINC000059608547 195410890 /nfs/dbraw/zinc/41/08/90/195410890.db2.gz OVXFMIKBHOFBPF-UHFFFAOYSA-N 0 0 476.569 6.708 40 30 JKEBRN O=C1N/C(=N\c2ccc(Br)c(Cl)c2)S/C1=C\c1cccn1-c1ccccc1 ZINC000059678221 195411629 /nfs/dbraw/zinc/41/16/29/195411629.db2.gz NBCPDYDXIJNTON-PDGQHHTCSA-N 0 0 458.768 5.785 40 30 JKEBRN COc1ccc(Cl)cc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059679346 195411638 /nfs/dbraw/zinc/41/16/38/195411638.db2.gz GYXMEBYEHJXDQK-LSHDLFTRSA-N 0 0 457.176 7.259 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720455 195411815 /nfs/dbraw/zinc/41/18/15/195411815.db2.gz RBXCNJJAYWGRNS-DXRBVMPTSA-N 0 0 485.480 8.209 40 30 JKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000059720510 195411912 /nfs/dbraw/zinc/41/19/12/195411912.db2.gz PZGYVPXTHWRAMR-WMMCOQJOSA-N 0 0 495.088 7.954 40 30 JKEBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccccc1C#N ZINC000106682980 195457150 /nfs/dbraw/zinc/45/71/50/195457150.db2.gz PUGQVAQZWLXIFH-CFRMEGHHSA-N 0 0 490.968 6.036 40 30 JKEBRN Cc1c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000106688008 195457587 /nfs/dbraw/zinc/45/75/87/195457587.db2.gz YURZZOBDVILXIM-YSMPRRRNSA-N 0 0 463.562 6.106 40 30 JKEBRN CC1N=NC(=S)N1N=Cc1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408850417 195488088 /nfs/dbraw/zinc/48/80/88/195488088.db2.gz NJRKPCHBQWVLTL-FSJBWODESA-N 0 0 453.365 5.252 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408850868 195489293 /nfs/dbraw/zinc/48/92/93/195489293.db2.gz DZRQCJWTZZMXHS-MYYYXRDXSA-N 0 0 493.028 6.826 40 30 JKEBRN CC(=O)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1Br ZINC000408850884 195489384 /nfs/dbraw/zinc/48/93/84/195489384.db2.gz FLKYZIXTHGRBRH-WGARJPEWSA-N 0 0 497.414 6.318 40 30 JKEBRN Brc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1 ZINC000408850984 195489588 /nfs/dbraw/zinc/48/95/88/195489588.db2.gz STQSYOGULWHXCR-NDENLUEZSA-N 0 0 451.105 5.595 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408852344 195492918 /nfs/dbraw/zinc/49/29/18/195492918.db2.gz JTJUAKCMGAKUJZ-HAHDFKILSA-N 0 0 491.544 5.134 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409050077 195498263 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JKEBRN COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)S/C2=N\c2ccccc2)cc1 ZINC000008722232 524018516 /nfs/dbraw/zinc/01/85/16/524018516.db2.gz KNOBLCBMUCVBKT-GZFRWTSMSA-N 0 0 476.554 5.222 40 30 JKEBRN Cc1cccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2/N=C/c2cc(C)ccc2C)c1 ZINC000025396325 524155576 /nfs/dbraw/zinc/15/55/76/524155576.db2.gz RHHVSXJCPGDMDH-WOGJEYPUSA-N 0 0 473.645 7.923 40 30 JKEBRN Cc1ccc(C2=N/C(=C\c3ccc(/C=C4\N=C(c5ccc(C)cc5)SC4=O)cc3)C(=O)S2)cc1 ZINC000016292164 524231298 /nfs/dbraw/zinc/23/12/98/524231298.db2.gz VSWKJSAJVRXDSK-MPKYGIEOSA-N 0 0 480.614 6.426 40 30 JKEBRN C[C@@H]1CCC[C@@H](C)N1N1C(=O)/C(=C\c2ccc(OC(F)F)cc2)S/C1=N\c1ccccc1 ZINC000015910936 524279343 /nfs/dbraw/zinc/27/93/43/524279343.db2.gz BRXAZULRYFFZAC-YGVGMPTCSA-N 0 0 457.546 6.070 40 30 JKEBRN Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1 ZINC000012311824 524299986 /nfs/dbraw/zinc/29/99/86/524299986.db2.gz XOOJRZFDVYIMAZ-DPCVLPDWSA-N 0 0 488.686 5.561 40 30 JKEBRN 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/nfs/dbraw/zinc/97/12/13/525971213.db2.gz CELGVELHWIDWEY-LPYMAVHISA-N 0 0 496.013 6.908 40 30 JKEBRN Cc1ccc(N=C2S[C@@](c3ccc(C)cc3)(C(F)(F)F)NC(=O)N2c2ccc(C)cc2)cc1 ZINC000003019132 525973351 /nfs/dbraw/zinc/97/33/51/525973351.db2.gz MIZLJNIHANGSAC-VVJBIOMHSA-N 0 0 469.532 7.182 40 30 JKEBRN Cc1ccc(C(=O)/C(=N\N=C(/C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000016291473 526013275 /nfs/dbraw/zinc/01/32/75/526013275.db2.gz IDWOKYKLTPYZNZ-YIVISXGPSA-N 0 0 472.588 6.879 40 30 JKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000009196506 526092770 /nfs/dbraw/zinc/09/27/70/526092770.db2.gz YBBYNVNKMBFSNU-BHGWPJFGSA-N 0 0 451.195 6.287 40 30 JKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 ZINC000009196685 526093431 /nfs/dbraw/zinc/09/34/31/526093431.db2.gz VZEVVEYQLBBIDC-UVHMKAGCSA-N 0 0 458.389 6.090 40 30 JKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(I)cc1 ZINC000009196517 526094266 /nfs/dbraw/zinc/09/42/66/526094266.db2.gz LVXNCSPLVGEUFV-BHGWPJFGSA-N 0 0 498.195 6.129 40 30 JKEBRN Cc1cc(C=NNc2ccc(I)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000009262016 526094945 /nfs/dbraw/zinc/09/49/45/526094945.db2.gz DCNXXVCFETZCLZ-CIAFOILYSA-N 0 0 460.275 5.053 40 30 JKEBRN COc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3C)C[C@H]2c2ccccc2)c1 ZINC000005616183 526168935 /nfs/dbraw/zinc/16/89/35/526168935.db2.gz KEDIHXWCIDGABT-SANMLTNESA-N 0 0 495.583 5.040 40 30 JKEBRN Fc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5Cl)nc4c3)o2)cc1Cl ZINC000003083328 526313770 /nfs/dbraw/zinc/31/37/70/526313770.db2.gz WZZVAYVLYRLSGT-XKJRVUDJSA-N 0 0 485.729 8.605 40 30 JKEBRN Fc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2/N=C/c2c(F)cccc2F)c(F)c1 ZINC000015980593 526322526 /nfs/dbraw/zinc/32/25/26/526322526.db2.gz LGVPCOMMFCGRLX-VEIRSEQESA-N 0 0 493.432 6.489 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003092349 526341834 /nfs/dbraw/zinc/34/18/34/526341834.db2.gz VLKWSBGKBBGVOY-FOKLQQMPSA-N 0 0 472.136 6.476 40 30 JKEBRN 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ZINC000034144934 526430475 /nfs/dbraw/zinc/43/04/75/526430475.db2.gz AHTVCUCCYWJVPQ-DSNGMDLFSA-N 0 0 451.913 5.347 40 30 JKEBRN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000014922587 526439244 /nfs/dbraw/zinc/43/92/44/526439244.db2.gz OWCASIIDWZOULZ-MFKUBSTISA-N 0 0 456.414 5.321 40 30 JKEBRN c1ccc(/N=C2/C=CC3=N[C@@]45CCCC[C@@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000009360471 526461064 /nfs/dbraw/zinc/46/10/64/526461064.db2.gz ORCOQVONIHTFKF-RDLGCHCDSA-N 0 0 467.616 7.694 40 30 JKEBRN N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000006474132 526515858 /nfs/dbraw/zinc/51/58/58/526515858.db2.gz MXLDANPTYUJOGA-UHFFFAOYSA-N 0 0 499.979 6.400 40 30 JKEBRN N#Cc1c(N)nc2c(c1-c1ccccc1)C(C#N)(C#N)c1nc(-c3ccccc3Cl)c3c(c1-2)CCCC3 ZINC000095117569 526528145 /nfs/dbraw/zinc/52/81/45/526528145.db2.gz REUZWBMSTSMIER-UHFFFAOYSA-N 0 0 498.977 6.110 40 30 JKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000005808929 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JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(OCc2ccccc2)c1 ZINC000001077723 553904909 /nfs/dbraw/zinc/90/49/09/553904909.db2.gz DHKPORQZQVMWPT-IPEONRORSA-N 0 0 468.553 5.497 40 30 JKEBRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(/C=N/c2ccccc2)o1)Cc1ccccc1 ZINC000001098412 553906820 /nfs/dbraw/zinc/90/68/20/553906820.db2.gz VARUCWLKPYEXBJ-WPWMEQJKSA-N 0 0 464.974 6.075 40 30 JKEBRN N#Cc1cc2cc3c(cc2nc1SCC(=O)N(c1ccccc1)c1ccccc1)OCCO3 ZINC000001355034 553957686 /nfs/dbraw/zinc/95/76/86/553957686.db2.gz QHRUTYYJJARLBL-UHFFFAOYSA-N 0 0 453.523 5.335 40 30 JKEBRN CCOC(=O)c1sc2c(c1NC(C)=O)CCC(/C=N/C(C)(C)C)=C2Sc1ccccc1 ZINC000001435457 553971811 /nfs/dbraw/zinc/97/18/11/553971811.db2.gz NPOJVOPAMDLXOR-AFUMVMLFSA-N 0 0 456.633 6.202 40 30 JKEBRN O=C1c2ccccc2C(=O)C(Sc2nnc3c4ccccc4c4ccccc4c3n2)=C1Cl ZINC000001573832 553978776 /nfs/dbraw/zinc/97/87/76/553978776.db2.gz LTXPJUHAUKZMOA-UHFFFAOYSA-N 0 0 453.910 5.953 40 30 in-vitro JKEBRN 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AAOHKRNFHQXDFX-UHFFFAOYSA-N 0 0 472.381 6.060 40 30 JKEBRN Cc1ccc(C)c(NC(=S)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)c1 ZINC000002658312 554272984 /nfs/dbraw/zinc/27/29/84/554272984.db2.gz MVLPYUSEYYGOEA-OEAKJJBVSA-N 0 0 455.678 5.799 40 30 JKEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2Cl)C1=S ZINC000002728890 554313745 /nfs/dbraw/zinc/31/37/45/554313745.db2.gz DWCGQJBKPKVHCE-IBGZPJMESA-N 0 0 496.847 5.202 40 30 JKEBRN CCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccc(N(CC)CC)cc2)cc1 ZINC000002747580 554324966 /nfs/dbraw/zinc/32/49/66/554324966.db2.gz VMTYRNGJZARDGU-HEWHHCIISA-N 0 0 469.633 5.980 40 30 JKEBRN COc1cc(/C=N/c2c(C#N)c(CC#N)nn2-c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000002775722 554339212 /nfs/dbraw/zinc/33/92/12/554339212.db2.gz DXENHHHLAWBYDP-KBVAKVRCSA-N 0 0 481.943 5.802 40 30 JKEBRN CCOc1cc(/C=N/n2cnc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000002779811 554341499 /nfs/dbraw/zinc/34/14/99/554341499.db2.gz ZIZFKLOJDFMPLP-XODNFHPESA-N 0 0 468.340 5.563 40 30 JKEBRN 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JKEBRN N#C[C@H](c1ccccc1)c1ccc(C(c2ccccc2)(c2ccccc2)[C@H](C#N)c2ccccc2)cc1 ZINC000005028404 554485729 /nfs/dbraw/zinc/48/57/29/554485729.db2.gz CLXSETZJRYVHQA-KKLWWLSJSA-N 0 0 474.607 7.984 40 30 JKEBRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000005221188 554487335 /nfs/dbraw/zinc/48/73/35/554487335.db2.gz LHVOTBCQBLBMAB-PWEKKDLBSA-N 0 0 482.705 6.709 40 30 JKEBRN COc1cc(/C=C\C2=C(C)C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C)cc(OC)c1OC ZINC000005395657 554489770 /nfs/dbraw/zinc/48/97/70/554489770.db2.gz UDIFTLVOIXXUQC-BEBAURNISA-N 0 0 482.573 5.461 40 30 JKEBRN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000006074126 554501748 /nfs/dbraw/zinc/50/17/48/554501748.db2.gz BEDOXQDFAYKAKX-UHFFFAOYSA-N 0 0 498.007 6.874 40 30 JKEBRN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000006090142 554504739 /nfs/dbraw/zinc/50/47/39/554504739.db2.gz KEKHCVQHGGHEFN-HXUWFJFHSA-N 0 0 479.605 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CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C(C)C)c(O)cc1C ZINC000013306303 555375430 /nfs/dbraw/zinc/37/54/30/555375430.db2.gz IDORLPWQWGWFRQ-SCMILFJUSA-N 0 0 497.686 6.607 40 30 JKEBRN CCCS(=O)(=O)C/C(=N\c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000013371205 555392002 /nfs/dbraw/zinc/39/20/02/555392002.db2.gz GAMORIPEDRKPRY-UHFFFAOYSA-N 0 0 474.218 5.179 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000013381948 555393175 /nfs/dbraw/zinc/39/31/75/555393175.db2.gz WJFKZRYJIBQMLK-QFIPXVFZSA-N 0 0 462.889 5.069 40 30 JKEBRN COc1ccc(-c2nn(-c3ccccc3)c(/N=C/c3ccc(O)cc3)c2-c2ccccc2)cc1OC ZINC000013381856 555393255 /nfs/dbraw/zinc/39/32/55/555393255.db2.gz YNWRJFMCNLUNPN-AJBULDERSA-N 0 0 475.548 6.680 40 30 JKEBRN C/C(=N\Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1)c1ccc(Cl)cc1Cl ZINC000013402383 555395915 /nfs/dbraw/zinc/39/59/15/555395915.db2.gz JKKQOPDMXWMIFO-KIBLKLHPSA-N 0 0 464.761 6.713 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(OC)cc1 ZINC000013475644 555402816 /nfs/dbraw/zinc/40/28/16/555402816.db2.gz MFOSAQPMOIQETP-ZMPCKTLKSA-N 0 0 455.605 5.478 40 30 JKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013475665 555402924 /nfs/dbraw/zinc/40/29/24/555402924.db2.gz SBWXFWVFMHNCEJ-GZCDXWOBSA-N 0 0 497.601 5.456 40 30 JKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@H](O)CNc3ccc(Cl)cc3)c2C#N)cc1 ZINC000009761237 555485566 /nfs/dbraw/zinc/48/55/66/555485566.db2.gz IZFPKGVMUZODOF-DEOSSOPVSA-N 0 0 486.040 6.814 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000013549746 555491093 /nfs/dbraw/zinc/49/10/93/555491093.db2.gz JIXPNDFYWUSGCP-HMAPJEAMSA-N 0 0 461.499 5.074 40 30 JKEBRN Cc1ccc2cc3c(nc2c1C)S/C(=N/C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C3 ZINC000013562157 555496169 /nfs/dbraw/zinc/49/61/69/555496169.db2.gz OQNQYYDGYHGWLR-ZPKNHPDFSA-N 0 0 461.587 5.223 40 30 JKEBRN Cc1cc(C)c2cc3c(nc2c1)S/C(=N/C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C3 ZINC000013562173 555496183 /nfs/dbraw/zinc/49/61/83/555496183.db2.gz WCTDGZSNRFHESO-PBJDEKFSSA-N 0 0 461.587 5.223 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccc(F)c2)n1 ZINC000013567227 555504222 /nfs/dbraw/zinc/50/42/22/555504222.db2.gz ILRNKHRSMVQWOI-AVRWGWEMSA-N 0 0 457.505 5.122 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccc(F)c2)n1 ZINC000013567228 555504437 /nfs/dbraw/zinc/50/44/37/555504437.db2.gz ILRNKHRSMVQWOI-BVZFJXPGSA-N 0 0 457.505 5.122 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1OC ZINC000013567895 555505686 /nfs/dbraw/zinc/50/56/86/555505686.db2.gz BMLYTTMWMCYRNZ-KRWDZBQOSA-N 0 0 475.463 5.259 40 30 JKEBRN CCc1ccc(N2C(=O)C[C@H](c3cc(OC)c(OC)cc3OC)C3=C2CC(C)(C)CC3=O)cc1 ZINC000013567838 555505688 /nfs/dbraw/zinc/50/56/88/555505688.db2.gz WIWUUVMHVGUQLA-HXUWFJFHSA-N 0 0 463.574 5.439 40 30 JKEBRN COc1cc([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013567928 555505690 /nfs/dbraw/zinc/50/56/90/555505690.db2.gz SRZLTCAXULIOQB-MRXNPFEDSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567826 555505709 /nfs/dbraw/zinc/50/57/09/555505709.db2.gz GJVTWCRFJZDOST-GOSISDBHSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567822 555505729 /nfs/dbraw/zinc/50/57/29/555505729.db2.gz PKFFAEORTCELMD-GOSISDBHSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567960 555505953 /nfs/dbraw/zinc/50/59/53/555505953.db2.gz KCVYXYVZEFWFDY-OAHLLOKOSA-N 0 0 459.901 5.033 40 30 JKEBRN COc1ccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567944 555505974 /nfs/dbraw/zinc/50/59/74/555505974.db2.gz NVAPVRPHQLWZAM-QGZVFWFLSA-N 0 0 455.938 5.202 40 30 JKEBRN N#CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000013573489 555512047 /nfs/dbraw/zinc/51/20/47/555512047.db2.gz MWWJUKLTPPZAEJ-GHFCYRQVSA-N 0 0 454.515 5.225 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855689 555513023 /nfs/dbraw/zinc/51/30/23/555513023.db2.gz NEKXVUPHUDCIDP-ZXVVBBHZSA-N 0 0 471.538 5.741 40 30 JKEBRN COc1cc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)ccc1O ZINC000019855652 555513034 /nfs/dbraw/zinc/51/30/34/555513034.db2.gz JKKUGRYIGBOBPZ-TURZUDJPSA-N 0 0 472.566 5.547 40 30 JKEBRN CC(=O)Oc1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855722 555513337 /nfs/dbraw/zinc/51/33/37/555513337.db2.gz GUKKBIKBAIUNND-ZTKZIYFRSA-N 0 0 484.577 5.758 40 30 JKEBRN CN(C)c1ccc(/C=N/c2nnc(/C(=C\c3ccc(N(C)C)cc3)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000013575604 555514355 /nfs/dbraw/zinc/51/43/55/555514355.db2.gz RUZYELKVEURXJA-OMTYBJBPSA-N 0 0 498.612 5.918 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3cc(OC)c(OC)c(OC)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000019894548 555532851 /nfs/dbraw/zinc/53/28/51/555532851.db2.gz BQZMKALRVQOFCL-LQKURTRISA-N 0 0 490.581 6.271 40 30 JKEBRN CCCN1C(=O)/C(=C\C=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(O)cc1 ZINC000013634227 555544051 /nfs/dbraw/zinc/54/40/51/555544051.db2.gz QATDRBYUVXRNFA-YTBXXALDSA-N 0 0 472.035 6.376 40 30 JKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000009879488 555562140 /nfs/dbraw/zinc/56/21/40/555562140.db2.gz HNEXKUOXGMQOGN-RWPZCVJISA-N 0 0 466.810 6.538 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000009972851 555572971 /nfs/dbraw/zinc/57/29/71/555572971.db2.gz UBQHKUIMNDCIDE-UHFFFAOYSA-N 0 0 497.772 6.543 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccccc1OC ZINC000010000910 555590012 /nfs/dbraw/zinc/59/00/12/555590012.db2.gz NKZFXGRGEMBMNB-LQKURTRISA-N 0 0 487.581 6.191 40 30 JKEBRN CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OCC)c1OCC ZINC000010039398 555604699 /nfs/dbraw/zinc/60/46/99/555604699.db2.gz ZRFNOBQMTSIIMC-AWEZNQCLSA-N 0 0 487.647 5.067 40 30 JKEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000010041310 555605601 /nfs/dbraw/zinc/60/56/01/555605601.db2.gz ASPKDVZYESTEGZ-UHFFFAOYSA-N 0 0 493.416 5.010 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCCC3)[C@@]12C#N ZINC000013810542 555625858 /nfs/dbraw/zinc/62/58/58/555625858.db2.gz JSRDAVDOPIOHGL-LGPLSSKUSA-N 0 0 493.746 6.270 40 30 JKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 ZINC000010118950 555629187 /nfs/dbraw/zinc/62/91/87/555629187.db2.gz SVIPUHYAUJNTDE-ZMOGYAJESA-N 0 0 463.750 5.476 40 30 JKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000010119064 555629192 /nfs/dbraw/zinc/62/91/92/555629192.db2.gz CZFUVYDCVOWOPN-KVSWJAHQSA-N 0 0 484.210 7.012 40 30 JKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1I ZINC000010118949 555629202 /nfs/dbraw/zinc/62/92/02/555629202.db2.gz XDMRHYXLTGLPLN-ZMOGYAJESA-N 0 0 463.750 5.476 40 30 JKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000010119004 555629206 /nfs/dbraw/zinc/62/92/06/555629206.db2.gz SPMNFSMMQGCWDQ-LGJNPRDNSA-N 0 0 464.190 6.459 40 30 JKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000010118744 555629237 /nfs/dbraw/zinc/62/92/37/555629237.db2.gz VAZVZLZVBJNGMH-UVHMKAGCSA-N 0 0 494.216 6.467 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000010119098 555629550 /nfs/dbraw/zinc/62/95/50/555629550.db2.gz PVPAOEYLKMAHGX-KBVAKVRCSA-N 0 0 479.407 7.248 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000010119132 555629603 /nfs/dbraw/zinc/62/96/03/555629603.db2.gz GGOOEXSDPCWOJG-YDZHTSKRSA-N 0 0 470.738 5.032 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000013841986 555631453 /nfs/dbraw/zinc/63/14/53/555631453.db2.gz GSMGVNIOOZOPFL-UHFFFAOYSA-N 0 0 493.814 5.190 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013842944 555631995 /nfs/dbraw/zinc/63/19/95/555631995.db2.gz KRAXVXVLDHDSLN-UHFFFAOYSA-N 0 0 491.444 6.204 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000013842961 555632014 /nfs/dbraw/zinc/63/20/14/555632014.db2.gz FPFYQGJLKRMANB-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000013842975 555632434 /nfs/dbraw/zinc/63/24/34/555632434.db2.gz YLBQOLGYDVWDQI-UHFFFAOYSA-N 0 0 471.026 5.859 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000013843026 555632463 /nfs/dbraw/zinc/63/24/63/555632463.db2.gz FSNATDGVOBDTPO-UHFFFAOYSA-N 0 0 487.025 5.559 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850484 555634480 /nfs/dbraw/zinc/63/44/80/555634480.db2.gz QRYIWFMYGLVBKY-OAHLLOKOSA-N 0 0 473.396 5.097 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013879688 555638168 /nfs/dbraw/zinc/63/81/68/555638168.db2.gz WFETTZCUFUYRNQ-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000014069594 555678058 /nfs/dbraw/zinc/67/80/58/555678058.db2.gz LDQFKWTUCXLCHE-UHFFFAOYSA-N 0 0 453.782 5.822 40 30 JKEBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1C ZINC000014081720 555681486 /nfs/dbraw/zinc/68/14/86/555681486.db2.gz AAFJKSQGZGDKEQ-MRXNPFEDSA-N 0 0 479.675 5.606 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 ZINC000014081375 555681491 /nfs/dbraw/zinc/68/14/91/555681491.db2.gz RTVMFJBXFVZXAE-UHFFFAOYSA-N 0 0 498.233 5.931 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Br)cc1 ZINC000014081402 555681505 /nfs/dbraw/zinc/68/15/05/555681505.db2.gz NECVWAXIYPKTFO-UHFFFAOYSA-N 0 0 477.815 5.586 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1ccccc1C ZINC000014081794 555681752 /nfs/dbraw/zinc/68/17/52/555681752.db2.gz HPZBALJKIQIDQM-QGZVFWFLSA-N 0 0 493.702 6.088 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1C ZINC000014081847 555681763 /nfs/dbraw/zinc/68/17/63/555681763.db2.gz PKOHFZHKLREQLL-UHFFFAOYSA-N 0 0 461.616 5.602 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccccc1C ZINC000014081923 555681778 /nfs/dbraw/zinc/68/17/78/555681778.db2.gz BEMSRTZOEUHPQK-UHFFFAOYSA-N 0 0 467.809 6.131 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020175981 555681855 /nfs/dbraw/zinc/68/18/55/555681855.db2.gz PCQOJRMYBGNARD-HAHDFKILSA-N 0 0 475.526 5.464 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000014082419 555682140 /nfs/dbraw/zinc/68/21/40/555682140.db2.gz JJTDCHSPAJMDNL-UHFFFAOYSA-N 0 0 467.809 6.131 40 30 JKEBRN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000010325903 555684552 /nfs/dbraw/zinc/68/45/52/555684552.db2.gz ASVIYURNABHRSA-CPJSRVTESA-N 0 0 492.535 5.340 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014087884 555684748 /nfs/dbraw/zinc/68/47/48/555684748.db2.gz POSZAEGYYQWOQJ-UHFFFAOYSA-N 0 0 477.615 5.206 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014087882 555684754 /nfs/dbraw/zinc/68/47/54/555684754.db2.gz QJVZNSZGNJQETJ-UHFFFAOYSA-N 0 0 498.033 5.551 40 30 JKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014091450 555684960 /nfs/dbraw/zinc/68/49/60/555684960.db2.gz HHGAHKWSGMKFSC-UHFFFAOYSA-N 0 0 461.616 5.218 40 30 JKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000014091793 555685010 /nfs/dbraw/zinc/68/50/10/555685010.db2.gz XZTYTJYAFMRHDW-UHFFFAOYSA-N 0 0 491.642 5.226 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014117868 555692961 /nfs/dbraw/zinc/69/29/61/555692961.db2.gz VXLUPTMHPCGKLL-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014117824 555693002 /nfs/dbraw/zinc/69/30/02/555693002.db2.gz VOLMSGSNHJRQEO-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000014117804 555693102 /nfs/dbraw/zinc/69/31/02/555693102.db2.gz XQPFBZPWPXEGFS-UHFFFAOYSA-N 0 0 487.423 5.153 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000020195830 555695542 /nfs/dbraw/zinc/69/55/42/555695542.db2.gz KKBNGAHRGJBTNW-WKULSOCRSA-N 0 0 489.399 6.112 40 30 JKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1OC ZINC000020195682 555695555 /nfs/dbraw/zinc/69/55/55/555695555.db2.gz GULJGWGQIRRCTF-CVKSISIWSA-N 0 0 455.352 5.169 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1 ZINC000020196491 555695831 /nfs/dbraw/zinc/69/58/31/555695831.db2.gz RDNLCGDDRSRKRB-LQKURTRISA-N 0 0 454.954 5.459 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000020196512 555695908 /nfs/dbraw/zinc/69/59/08/555695908.db2.gz YFXUUVHCRUPXBA-RWPZCVJISA-N 0 0 499.951 5.367 40 30 JKEBRN COc1ccc(CN/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1OC ZINC000020196621 555696070 /nfs/dbraw/zinc/69/60/70/555696070.db2.gz PPPKCSYOXDCTKF-RWPZCVJISA-N 0 0 478.390 5.593 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014126834 555697391 /nfs/dbraw/zinc/69/73/91/555697391.db2.gz HAPFZEITUNLUOE-UHFFFAOYSA-N 0 0 476.524 5.410 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014133286 555701004 /nfs/dbraw/zinc/70/10/04/555701004.db2.gz MZGPXIOXEYKSHC-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014133217 555701022 /nfs/dbraw/zinc/70/10/22/555701022.db2.gz LYTGTGGXEHIBEO-UHFFFAOYSA-N 0 0 483.808 5.734 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000014133452 555701764 /nfs/dbraw/zinc/70/17/64/555701764.db2.gz FSCWCNQWXASGMA-UHFFFAOYSA-N 0 0 450.608 5.316 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000014133430 555701886 /nfs/dbraw/zinc/70/18/86/555701886.db2.gz ATALLJNOEQUKFB-UHFFFAOYSA-N 0 0 472.998 5.053 40 30 JKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014133449 555701926 /nfs/dbraw/zinc/70/19/26/555701926.db2.gz NKHLKMFYTSYZOQ-UHFFFAOYSA-N 0 0 477.417 5.698 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000014134213 555702453 /nfs/dbraw/zinc/70/24/53/555702453.db2.gz PSBZVBBNTLLCCP-UHFFFAOYSA-N 0 0 464.635 5.823 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000014134214 555702472 /nfs/dbraw/zinc/70/24/72/555702472.db2.gz NSXFSHIULREGKL-UHFFFAOYSA-N 0 0 464.635 5.823 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000014134223 555702476 /nfs/dbraw/zinc/70/24/76/555702476.db2.gz NOSRZOBHCITVOH-UHFFFAOYSA-N 0 0 471.026 5.859 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014134237 555702704 /nfs/dbraw/zinc/70/27/04/555702704.db2.gz GJNFKDSDRVSJEH-UHFFFAOYSA-N 0 0 481.578 5.114 40 30 JKEBRN Clc1ccccc1COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Br ZINC000014134288 555702797 /nfs/dbraw/zinc/70/27/97/555702797.db2.gz SQEJRKXHLKCUDT-WYMPLXKRSA-N 0 0 455.743 6.004 40 30 JKEBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 ZINC000014152961 555708807 /nfs/dbraw/zinc/70/88/07/555708807.db2.gz HJUHDDYYPANNPI-UHFFFAOYSA-N 0 0 478.883 5.427 40 30 JKEBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)c1cccc(Cl)c1Cl ZINC000010434129 555708849 /nfs/dbraw/zinc/70/88/49/555708849.db2.gz OYWIGGCQYAGVJV-UHFFFAOYSA-N 0 0 488.396 5.278 40 30 JKEBRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000010434314 555709154 /nfs/dbraw/zinc/70/91/54/555709154.db2.gz GOAIXTZIEKYAMU-UHFFFAOYSA-N 0 0 488.396 5.278 40 30 JKEBRN CN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020220336 555716896 /nfs/dbraw/zinc/71/68/96/555716896.db2.gz FMDAAKFYLFHUBO-PUBOWXGGSA-N 0 0 476.307 5.602 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)sc2C1 ZINC000014195113 555728941 /nfs/dbraw/zinc/72/89/41/555728941.db2.gz GXEMSVSFJMNSDR-GOSISDBHSA-N 0 0 468.642 5.061 40 30 JKEBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C ZINC000014269827 555760369 /nfs/dbraw/zinc/76/03/69/555760369.db2.gz MZUDKBVTOQJTOH-UHFFFAOYSA-N 0 0 457.964 5.038 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)sc2C1 ZINC000014271474 555766352 /nfs/dbraw/zinc/76/63/52/555766352.db2.gz FSRYOJBLXAOILF-TZOMUSMUSA-N 0 0 450.416 5.578 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000014271490 555766434 /nfs/dbraw/zinc/76/64/34/555766434.db2.gz XUGVVFIASXFJBU-NSHDSACASA-N 0 0 466.459 6.204 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014271478 555766458 /nfs/dbraw/zinc/76/64/58/555766458.db2.gz CPKHVRBPFNQYEB-GFCCVEGCSA-N 0 0 466.544 5.040 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000014273298 555772689 /nfs/dbraw/zinc/77/26/89/555772689.db2.gz AKVIDMJLTIGOCC-RTGRKSDTSA-N 0 0 465.018 7.336 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2C1 ZINC000014273291 555772719 /nfs/dbraw/zinc/77/27/19/555772719.db2.gz VZTFMMNPTJSUQW-FQEVSTJZSA-N 0 0 450.648 6.836 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(I)c3)sc2C1 ZINC000014273271 555772744 /nfs/dbraw/zinc/77/27/44/555772744.db2.gz KSGVPZSFPRUXFM-CYBMUJFWSA-N 0 0 464.372 5.628 40 30 JKEBRN COC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C ZINC000014274783 555778024 /nfs/dbraw/zinc/77/80/24/555778024.db2.gz GKGWJOKXVOZXFT-UHFFFAOYSA-N 0 0 494.381 5.408 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000014276442 555783628 /nfs/dbraw/zinc/78/36/28/555783628.db2.gz ASPLLWNMXHBBFT-VIFPVBQESA-N 0 0 480.467 6.393 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Br)c3)sc2C1 ZINC000014276452 555783719 /nfs/dbraw/zinc/78/37/19/555783719.db2.gz KISVXHKSURILDZ-CYBMUJFWSA-N 0 0 476.465 5.660 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000014279073 555790252 /nfs/dbraw/zinc/79/02/52/555790252.db2.gz KMZACIHCGPYZLX-HNNXBMFYSA-N 0 0 483.431 7.046 40 30 JKEBRN COc1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000014361262 555799275 /nfs/dbraw/zinc/79/92/75/555799275.db2.gz RJAFTHFIGKOBER-CPXXKEMWSA-N 0 0 499.826 5.665 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1cccc(Cl)c1 ZINC000014395451 555801901 /nfs/dbraw/zinc/80/19/01/555801901.db2.gz WIGABJFDBIDLAY-UHFFFAOYSA-N 0 0 450.789 5.751 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)ccc1OC ZINC000014400305 555805813 /nfs/dbraw/zinc/80/58/13/555805813.db2.gz NZIAWPNWWVYJRL-UHFFFAOYSA-N 0 0 470.978 5.439 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1OC ZINC000014401692 555806749 /nfs/dbraw/zinc/80/67/49/555806749.db2.gz QHCFHQGEWHBDNZ-UHFFFAOYSA-N 0 0 456.951 5.130 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000014407959 555808839 /nfs/dbraw/zinc/80/88/39/555808839.db2.gz WIDPJBQTVRWZSF-JKAGUAMTSA-N 0 0 498.582 5.800 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000014408046 555808961 /nfs/dbraw/zinc/80/89/61/555808961.db2.gz SQMJMESKVOHLCY-LKULFIKXSA-N 0 0 469.500 5.044 40 30 JKEBRN N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000014408042 555808967 /nfs/dbraw/zinc/80/89/67/555808967.db2.gz SQMJMESKVOHLCY-PRCJZZLJSA-N 0 0 469.500 5.044 40 30 JKEBRN C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408259 555809182 /nfs/dbraw/zinc/80/91/82/555809182.db2.gz JSLGQGBXFOMFGA-VSALIHFZSA-N 0 0 471.560 5.362 40 30 JKEBRN C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000014408349 555809222 /nfs/dbraw/zinc/80/92/22/555809222.db2.gz NEZLSMGYYMDGBN-GIBKVHAFSA-N 0 0 457.533 5.053 40 30 JKEBRN Clc1ccccc1COc1ccc(C=NNc2nc3ccccc3s2)cc1Br ZINC000014408434 555809236 /nfs/dbraw/zinc/80/92/36/555809236.db2.gz JHQDWIZWXQTZHG-WYMPLXKRSA-N 0 0 472.795 6.737 40 30 JKEBRN Brc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000014408451 555809260 /nfs/dbraw/zinc/80/92/60/555809260.db2.gz IONXFWZCWTXJCL-JFLMPSFJSA-N 0 0 488.410 7.237 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3cccc4ccccc43)c3ccccc23)c([N+](=O)[O-])c1 ZINC000014408801 555809487 /nfs/dbraw/zinc/80/94/87/555809487.db2.gz DPKNMEPJKKXHCI-JFLMPSFJSA-N 0 0 465.469 6.105 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408512 555809537 /nfs/dbraw/zinc/80/95/37/555809537.db2.gz QKIUARQRBOEFFT-KBVAKVRCSA-N 0 0 493.906 8.057 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c([N+](=O)[O-])c1 ZINC000014408790 555809579 /nfs/dbraw/zinc/80/95/79/555809579.db2.gz HREJHKZCJXSJQJ-OPEKNORGSA-N 0 0 484.299 6.259 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c([N+](=O)[O-])c1 ZINC000014408856 555809790 /nfs/dbraw/zinc/80/97/90/555809790.db2.gz QKKUNOCFHHRUHN-FOKLQQMPSA-N 0 0 461.261 5.835 40 30 JKEBRN COc1ccc([C@H]2C(C)=Nc3ccccc3NC2=NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1OC ZINC000014608032 555836485 /nfs/dbraw/zinc/83/64/85/555836485.db2.gz GTIJDBKBZFCYKO-JOCHJYFZSA-N 0 0 492.919 5.806 40 30 JKEBRN Cc1ccc(C(=O)Oc2ccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000014671930 555837808 /nfs/dbraw/zinc/83/78/08/555837808.db2.gz IJEYNKDWGMIDFW-MHZLTWQESA-N 0 0 469.606 7.116 40 30 JKEBRN Cc1ccc(C(=O)Oc2cccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c2)cc1 ZINC000014671932 555838038 /nfs/dbraw/zinc/83/80/38/555838038.db2.gz WICCLTHMUXRCHH-MHZLTWQESA-N 0 0 469.606 7.116 40 30 JKEBRN CCCC[C@H](CC)C(=O)N=C(NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 ZINC000014729856 555838828 /nfs/dbraw/zinc/83/88/28/555838828.db2.gz AJKHJKKYACHBMD-SFHVURJKSA-N 0 0 452.578 5.057 40 30 JKEBRN CCCC(CCC)C(=O)N=C(NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 ZINC000014730258 555838851 /nfs/dbraw/zinc/83/88/51/555838851.db2.gz SEOWAMWRPDMNNB-UHFFFAOYSA-N 0 0 452.578 5.057 40 30 JKEBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C#N)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000015011934 555854327 /nfs/dbraw/zinc/85/43/27/555854327.db2.gz LVMUJGUPGGSABO-YDZHTSKRSA-N 0 0 476.554 5.691 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccc(C)c1 ZINC000021961226 555857903 /nfs/dbraw/zinc/85/79/03/555857903.db2.gz VFSZDMQHSZLZDM-UHFFFAOYSA-N 0 0 461.360 5.072 40 30 JKEBRN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 ZINC000011992442 555877807 /nfs/dbraw/zinc/87/78/07/555877807.db2.gz ZPTORYFDQKGMLN-VULFUBBASA-N 0 0 478.415 6.906 40 30 JKEBRN C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022111024 555878279 /nfs/dbraw/zinc/87/82/79/555878279.db2.gz NORGMLLAMZYDLO-UHFFFAOYSA-N 0 0 454.745 5.019 40 30 JKEBRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(C=Nc3ccccc3)c3ccccc3C2c2ccccc21 ZINC000015223667 555885756 /nfs/dbraw/zinc/88/57/56/555885756.db2.gz OIHKCXFJPFFNMS-FONMNZRHSA-N 0 0 488.974 6.293 40 30 JKEBRN COc1ccc(NC2=NC(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1 ZINC000015229899 555889211 /nfs/dbraw/zinc/88/92/11/555889211.db2.gz KZLJNHDRFKEJMT-QFEZKATASA-N 0 0 464.550 5.652 40 30 JKEBRN Cc1cccc(N2C(=O)C[C@@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)c1 ZINC000015276964 555892367 /nfs/dbraw/zinc/89/23/67/555892367.db2.gz CCFKCJJGYLPFJU-GOSISDBHSA-N 0 0 473.501 5.433 40 30 JKEBRN N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c2c1CCCC2 ZINC000012139498 555915940 /nfs/dbraw/zinc/91/59/40/555915940.db2.gz UXGITGYZNSKNBQ-UHFFFAOYSA-N 0 0 451.954 6.022 40 30 JKEBRN CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 ZINC000022532808 555932414 /nfs/dbraw/zinc/93/24/14/555932414.db2.gz JFPAPTVKWZYPPH-CVKSISIWSA-N 0 0 451.979 5.610 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@@H]3c3cccc(C)c3)C2)cc1 ZINC000022536077 555933540 /nfs/dbraw/zinc/93/35/40/555933540.db2.gz ZFYBVNLQOQNTJE-IIBYNOLFSA-N 0 0 454.452 5.030 40 30 JKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C ZINC000022536908 555933651 /nfs/dbraw/zinc/93/36/51/555933651.db2.gz XLYULOZHRJRJEU-CSKARUKUSA-N 0 0 454.935 5.979 40 30 JKEBRN Cc1ccc(C2C3=C(C[C@H](c4ccccc4)CC3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000022567229 555936612 /nfs/dbraw/zinc/93/66/12/555936612.db2.gz WJXAOKQPTSCGIP-DQEYMECFSA-N 0 0 459.589 6.483 40 30 JKEBRN Cc1ccc(C2C3=C(C[C@@H](c4ccccc4)CC3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000022567234 555936625 /nfs/dbraw/zinc/93/66/25/555936625.db2.gz WJXAOKQPTSCGIP-JWQCQUIFSA-N 0 0 459.589 6.483 40 30 JKEBRN COc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2c[nH]c3ccccc32)C1 ZINC000022568039 555936783 /nfs/dbraw/zinc/93/67/83/555936783.db2.gz CNEJLOBSRIXJCT-HPGBDJQBSA-N 0 0 460.537 5.942 40 30 JKEBRN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000022574765 555938358 /nfs/dbraw/zinc/93/83/58/555938358.db2.gz RETBGBJPRNMJKG-CBZJRKILSA-N 0 0 464.956 6.587 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)o2)cc1Cl ZINC000022579962 555939728 /nfs/dbraw/zinc/93/97/28/555939728.db2.gz JWCAEHBPNLTTMT-CSKARUKUSA-N 0 0 468.003 5.857 40 30 JKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000022758232 555954807 /nfs/dbraw/zinc/95/48/07/555954807.db2.gz ZVBTYDWWGNFMPB-BNHRFMORSA-N 0 0 497.598 7.553 40 30 JKEBRN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccccc1Br ZINC000012445187 555980392 /nfs/dbraw/zinc/98/03/92/555980392.db2.gz JXTMYPCHMGYZMM-UHFFFAOYSA-N 0 0 462.391 6.040 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)nc3ccc(F)cc31)CCCC2 ZINC000012486762 555988044 /nfs/dbraw/zinc/98/80/44/555988044.db2.gz AKCCMDMLKINFIQ-UHFFFAOYSA-N 0 0 474.586 5.979 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000015774229 555992793 /nfs/dbraw/zinc/99/27/93/555992793.db2.gz RUKRFSYAJYUSLL-GCXIQGEKSA-N 0 0 463.400 6.875 40 30 JKEBRN O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012558392 556047802 /nfs/dbraw/zinc/04/78/02/556047802.db2.gz QNFMWGICORVCCH-BLCKFSMSSA-N 0 0 489.966 6.077 40 30 JKEBRN Cc1cc(-c2cc(/N=C/N(C)C)n(-c3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1 ZINC000012563636 556058482 /nfs/dbraw/zinc/05/84/82/556058482.db2.gz YVMKDNDWONOYQM-MUFRIFMGSA-N 0 0 451.496 6.187 40 30 JKEBRN CCOC(=O)c1c2c(sc1NC(=S)N1CCS/C1=N\c1ccc(OC)cc1)CCCC2 ZINC000012563676 556058807 /nfs/dbraw/zinc/05/88/07/556058807.db2.gz NEDZBMDNBCBJNV-FCQUAONHSA-N 0 0 475.661 5.246 40 30 JKEBRN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000012566236 556063836 /nfs/dbraw/zinc/06/38/36/556063836.db2.gz BOKIROKLRJOYRY-JFLMPSFJSA-N 0 0 463.522 5.701 40 30 JKEBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(-c2ccc(Br)cc2)o1 ZINC000012566586 556064696 /nfs/dbraw/zinc/06/46/96/556064696.db2.gz QQEISVXYOGOWOZ-DHRITJCHSA-N 0 0 470.754 6.407 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3OC)c2c1 ZINC000015920363 556068109 /nfs/dbraw/zinc/06/81/09/556068109.db2.gz DKHLOOQUEBODIL-DEOSSOPVSA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000015920362 556068215 /nfs/dbraw/zinc/06/82/15/556068215.db2.gz VTUBKZMSOCZUEZ-XMMPIXPASA-N 0 0 488.565 5.068 40 30 JKEBRN COC(=O)c1ccc(COc2ccc(C=NNc3cc(C(F)(F)F)ccc3Cl)cc2OC)cc1 ZINC000012571642 556073553 /nfs/dbraw/zinc/07/35/53/556073553.db2.gz OKCXKUWUZBRBEW-VFLNYLIXSA-N 0 0 492.881 6.179 40 30 JKEBRN N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000016034567 556118300 /nfs/dbraw/zinc/11/83/00/556118300.db2.gz ONNWGFGPJJRLTP-ISJGIBHGSA-N 0 0 470.359 6.278 40 30 JKEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)S2)cc1 ZINC000016161867 556127442 /nfs/dbraw/zinc/12/74/42/556127442.db2.gz DXQUUNBONXWFRZ-VCDQAHEJSA-N 0 0 462.644 5.806 40 30 JKEBRN COc1cc(OC)cc(C(=O)Sc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 ZINC000016194912 556128974 /nfs/dbraw/zinc/12/89/74/556128974.db2.gz SQHBRGANXDLTRZ-UHFFFAOYSA-N 0 0 452.535 6.237 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000016282368 556132219 /nfs/dbraw/zinc/13/22/19/556132219.db2.gz ICVCHHGVLIYOFN-AFUMVMLFSA-N 0 0 456.371 6.881 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000024543276 556135477 /nfs/dbraw/zinc/13/54/77/556135477.db2.gz CLBJLFFOKMSWED-MUUNZHRXSA-N 0 0 463.537 6.739 40 30 JKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)n2)cc1 ZINC000016663025 556149674 /nfs/dbraw/zinc/14/96/74/556149674.db2.gz HVZFVYRPROJWNT-UVHMKAGCSA-N 0 0 468.409 7.450 40 30 JKEBRN CCCCc1ccc(/N=C/c2cccc(OCC)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016639553 556149686 /nfs/dbraw/zinc/14/96/86/556149686.db2.gz ADBBNZSQVYZGNB-STBIYBPSSA-N 0 0 456.413 8.064 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)c1 ZINC000016671695 556150030 /nfs/dbraw/zinc/15/00/30/556150030.db2.gz IDBBOAOPSMZBJD-VHPZECMTSA-N 0 0 473.576 7.223 40 30 JKEBRN Clc1ccc(COc2cccc(CN=Nc3nc(-c4ccccc4)cs3)c2)c(Cl)c1 ZINC000016676020 556150251 /nfs/dbraw/zinc/15/02/51/556150251.db2.gz UQYMKZFMIJBZPA-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN Cc1ccc(-c2csc(=NNc3csc(=O)n3Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000016941020 556180962 /nfs/dbraw/zinc/18/09/62/556180962.db2.gz GRRWXPNJFUDFPW-BOQRKYGMSA-N 0 0 470.623 6.097 40 30 JKEBRN Cc1ccccc1-n1c(-c2ccccc2)csc1=NNc1csc(=O)n1Cc1ccccc1 ZINC000016941022 556181098 /nfs/dbraw/zinc/18/10/98/556181098.db2.gz HWYOVDSRJRHRDX-BOQRKYGMSA-N 0 0 470.623 6.097 40 30 JKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000016957598 556188541 /nfs/dbraw/zinc/18/85/41/556188541.db2.gz CJUKTJXWIFOPJJ-FOCLMDBBSA-N 0 0 492.560 6.776 40 30 in-vivo JKEBRN CC(=CC(=O)Nc1ccc(Cc2ccc(Cl)cc2)cc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017020485 556204615 /nfs/dbraw/zinc/20/46/15/556204615.db2.gz GAGMGSZYOZDWCO-CVKSISIWSA-N 0 0 481.896 5.564 40 30 JKEBRN Cc1ccsc1-c1c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)nc2c1CCCC2 ZINC000013018464 556210539 /nfs/dbraw/zinc/21/05/39/556210539.db2.gz HNMQDPZJBHQRCC-UHFFFAOYSA-N 0 0 472.591 5.950 40 30 JKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(F)c(F)c(F)c(F)c1F ZINC000017106719 556216934 /nfs/dbraw/zinc/21/69/34/556216934.db2.gz CLGVMPBHQNATGJ-CRZIEWSASA-N 0 0 465.293 8.141 40 30 JKEBRN O=C(Nc1ccc(Br)cc1C(F)(F)F)O/N=C(/c1ccccc1)[C@H](O)c1ccccc1 ZINC000017109495 556217254 /nfs/dbraw/zinc/21/72/54/556217254.db2.gz BOTAWOQEJNHGFN-IMOINDBUSA-N 0 0 493.279 6.154 40 30 JKEBRN Cc1cccc(-n2c(-c3ccccc3)csc2=NNc2csc(=O)n2Cc2ccccc2)c1 ZINC000017140961 556224739 /nfs/dbraw/zinc/22/47/39/556224739.db2.gz QRIFZNARFVOLLY-KNCIMYNLSA-N 0 0 470.623 6.097 40 30 JKEBRN N#C[C@](Cc1ccc(C[C@](C#N)(c2ccccc2)c2ccccn2)cc1)(c1ccccc1)c1ccccn1 ZINC000017175817 556232078 /nfs/dbraw/zinc/23/20/78/556232078.db2.gz SPAPFXIWIAYYAT-AQOUDTPCSA-N 0 0 490.610 6.581 40 30 JKEBRN Cc1cc(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N(C)C)n3)o2)c(C)c([N+](=O)[O-])c1 ZINC000025809392 556236906 /nfs/dbraw/zinc/23/69/06/556236906.db2.gz ZBZAJNGBYYSPBB-LGJNPRDNSA-N 0 0 490.499 5.051 40 30 JKEBRN O=[N+]([O-])c1c(/C=N/c2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 ZINC000017211448 556241732 /nfs/dbraw/zinc/24/17/32/556241732.db2.gz ORUOUIJHFYPWFD-RPPGKUMJSA-N 0 0 456.410 5.730 40 30 JKEBRN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000026456470 556254143 /nfs/dbraw/zinc/25/41/43/556254143.db2.gz YFMPAMMGAVXWSJ-OSPHWJPCSA-N 0 0 459.933 5.328 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2Cl)nc1 ZINC000013059481 556255408 /nfs/dbraw/zinc/25/54/08/556255408.db2.gz HMXXKGXQWCLJMB-GKVSMKOHSA-N 0 0 473.960 5.637 40 30 JKEBRN Oc1ccc2ccccc2c1CN=Nc1nnc(N=NCc2c(O)ccc3ccccc32)c2ccccc21 ZINC000017418215 556260537 /nfs/dbraw/zinc/26/05/37/556260537.db2.gz OPZYCVOEPLMKQK-XEUGNBHESA-N 0 0 498.546 6.239 40 30 JKEBRN Oc1ccc(Cl)cc1CN=Nc1nnc(N=NCc2cc(Cl)ccc2O)c2ccccc21 ZINC000017418272 556260706 /nfs/dbraw/zinc/26/07/06/556260706.db2.gz LYNRRHLPROYOSF-KOZSXFMUSA-N 0 0 467.316 5.240 40 30 JKEBRN CC(C)C1=CC(=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C=C(C(C)C)C1=O ZINC000026787100 556263804 /nfs/dbraw/zinc/26/38/04/556263804.db2.gz FFRONDALLAQDJE-AZPGRJICSA-N 0 0 469.006 5.664 40 30 JKEBRN C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000026835929 556264047 /nfs/dbraw/zinc/26/40/47/556264047.db2.gz WLNDANGOFVYODW-XCXJHVMUSA-N 0 0 472.710 5.600 40 30 biogenic,in-vitro JKEBRN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000017877301 556269389 /nfs/dbraw/zinc/26/93/89/556269389.db2.gz LYXWWVMGVFTFRM-LRJXLTTPSA-N 0 0 460.515 5.068 40 30 JKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000027061652 556273141 /nfs/dbraw/zinc/27/31/41/556273141.db2.gz MQPVNLQUFINXSL-JOCHJYFZSA-N 0 0 467.974 6.316 40 30 JKEBRN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000027229962 556275456 /nfs/dbraw/zinc/27/54/56/556275456.db2.gz URDACKUDWULARH-DNVHKLQESA-N 0 0 464.377 7.283 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S1 ZINC000027344964 556276591 /nfs/dbraw/zinc/27/65/91/556276591.db2.gz ISHAHNABRRYVIE-XKZIYDEJSA-N 0 0 477.973 5.558 40 30 JKEBRN C=CCn1c(COc2ccc(CCC)cc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000027345839 556276774 /nfs/dbraw/zinc/27/67/74/556276774.db2.gz UEOGXBWRTAOZNH-UHFFFAOYSA-N 0 0 490.551 5.745 40 30 JKEBRN FC(F)Sc1ccc(NC(=S)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1 ZINC000013076210 556278055 /nfs/dbraw/zinc/27/80/55/556278055.db2.gz WCYYVRHRFQCZEV-LSFURLLWSA-N 0 0 455.353 5.566 40 30 JKEBRN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2Cl)n1 ZINC000013080599 556278412 /nfs/dbraw/zinc/27/84/12/556278412.db2.gz OTXBAJSCQCHBPF-GKVSMKOHSA-N 0 0 473.960 5.637 40 30 JKEBRN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000013080648 556278461 /nfs/dbraw/zinc/27/84/61/556278461.db2.gz ZDERFNIMTSFBCI-QFIPXVFZSA-N 0 0 497.389 5.078 40 30 JKEBRN N#CC(C#N)[C@H](c1ccc(Cl)cc1)C1C(=O)[C@@H](c2ccccc2)C(=S)[C@@H](c2ccccc2)C1=O ZINC000018119815 556290376 /nfs/dbraw/zinc/29/03/76/556290376.db2.gz JHLGZEJHQPOMRM-VXNXHJTFSA-N 0 0 482.992 6.419 40 30 JKEBRN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(/N=C\c4ccc(Cl)cc4)cc3)o2)c1 ZINC000018179178 556298741 /nfs/dbraw/zinc/29/87/41/556298741.db2.gz XWYKTWBBCGWSHV-WGARJPEWSA-N 0 0 462.962 6.180 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC(=C(NNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2)cc1 ZINC000018183296 556300036 /nfs/dbraw/zinc/30/00/36/556300036.db2.gz WRYWTMLNQOCMDG-ZUSIYWPSSA-N 0 0 480.484 5.836 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C1=O)cn2C ZINC000028182487 556316389 /nfs/dbraw/zinc/31/63/89/556316389.db2.gz ZTGDEMPXKISCMM-MWYAZZEHSA-N 0 0 463.892 6.175 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182562 556316404 /nfs/dbraw/zinc/31/64/04/556316404.db2.gz HOQSVUFVXDNLJK-QDTIIGTASA-N 0 0 453.538 6.482 40 30 JKEBRN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(Cl)c(Cl)c4)c3C)C1=O)cn2C ZINC000028182488 556316405 /nfs/dbraw/zinc/31/64/05/556316405.db2.gz VATQNWSGDYLACR-GATIEOLUSA-N 0 0 494.374 6.997 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182603 556316650 /nfs/dbraw/zinc/31/66/50/556316650.db2.gz QPHGUKFIESMSRX-ZMFRSBBQSA-N 0 0 457.501 6.313 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182649 556316976 /nfs/dbraw/zinc/31/69/76/556316976.db2.gz DVOYLSAWCPTUKE-WKIKZPBSSA-N 0 0 455.510 5.874 40 30 JKEBRN CCOC(=O)C(C(=O)OCC)=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000018255992 556317266 /nfs/dbraw/zinc/31/72/66/556317266.db2.gz DSIXTMBNWMGAHV-STJQTKKMSA-N 0 0 499.592 6.038 40 30 JKEBRN CCOc1ccccc1/N=C/c1ccc(OCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000028219489 556325647 /nfs/dbraw/zinc/32/56/47/556325647.db2.gz HRXYAEHIRORZDN-RWPZCVJISA-N 0 0 478.017 6.952 40 30 JKEBRN CC(C)c1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1 ZINC000028219447 556325681 /nfs/dbraw/zinc/32/56/81/556325681.db2.gz XVGYZVJYSWUDFJ-WKULSOCRSA-N 0 0 476.045 7.677 40 30 JKEBRN Clc1nc(COc2ccc(/C=N/c3ccc4ccccc4c3)cc2)nc2sc3c(c21)CCCC3 ZINC000028219477 556325700 /nfs/dbraw/zinc/32/57/00/556325700.db2.gz KWAZQENBWDVYQM-OKCVXOCRSA-N 0 0 484.024 7.706 40 30 JKEBRN CCCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 ZINC000019117644 556331251 /nfs/dbraw/zinc/33/12/51/556331251.db2.gz HTSDGJOSYMTGJA-VAQFQWRASA-N 0 0 455.212 7.062 40 30 JKEBRN C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045455 556345732 /nfs/dbraw/zinc/34/57/32/556345732.db2.gz WTERNLDOAPYGJD-SFHVURJKSA-N 0 0 473.398 5.280 40 30 in-vitro JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000030823048 556375437 /nfs/dbraw/zinc/37/54/37/556375437.db2.gz ANBXURXHVJUYDJ-AREMUKBSSA-N 0 0 476.573 5.831 40 30 JKEBRN CCCNC(=O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000030823036 556375475 /nfs/dbraw/zinc/37/54/75/556375475.db2.gz CFJFFFBUGXPHJX-MHZLTWQESA-N 0 0 459.590 5.136 40 30 JKEBRN Cc1ccc(SCC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000030823029 556375527 /nfs/dbraw/zinc/37/55/27/556375527.db2.gz YEVUWUHJMNUJMQ-AREMUKBSSA-N 0 0 460.624 6.356 40 30 JKEBRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)Nc3cccc(C#N)c3)C=C2C)cc1 ZINC000030880605 556386312 /nfs/dbraw/zinc/38/63/12/556386312.db2.gz QFXWQIBVICJUFK-DPZBCOQUSA-N 0 0 488.632 5.249 40 30 biogenic,in-vitro JKEBRN ClC1=C(/C=N\N2CCN(/N=C\C3=C(Cl)c4ccccc4CC3)CC2)CCc2ccccc21 ZINC000031670188 556401872 /nfs/dbraw/zinc/40/18/72/556401872.db2.gz NLLWJUYFKKEIHI-LZUTUTKMSA-N 0 0 465.428 5.768 40 30 JKEBRN CC(C)(Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000031841152 556408769 /nfs/dbraw/zinc/40/87/69/556408769.db2.gz KAGCQRGLNSLRDP-NVNXTCNLSA-N 0 0 488.798 7.339 40 30 JKEBRN COCc1cc(C)nc(N=NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1C#N ZINC000032109671 556419816 /nfs/dbraw/zinc/41/98/16/556419816.db2.gz BWCXYVJZOPGLBM-FXMZOFOKSA-N 0 0 473.335 5.879 40 30 JKEBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000032109775 556419856 /nfs/dbraw/zinc/41/98/56/556419856.db2.gz KFINPOGIULXNCF-AFUMVMLFSA-N 0 0 471.582 5.990 40 30 JKEBRN Cc1cc(/N=C/c2cc(Cc3ccccc3)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112078 556421027 /nfs/dbraw/zinc/42/10/27/556421027.db2.gz KSUGGIXXMGLHHJ-ZCTHSVRISA-N 0 0 460.533 7.041 40 30 JKEBRN Cc1cc(Br)c(O)c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000032114629 556421315 /nfs/dbraw/zinc/42/13/15/556421315.db2.gz KDUSAGXQKYOMNQ-LGJNPRDNSA-N 0 0 463.331 6.521 40 30 JKEBRN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000032114547 556421392 /nfs/dbraw/zinc/42/13/92/556421392.db2.gz KMQIEBGBFMTDLD-MZJWZYIUSA-N 0 0 485.809 6.744 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115440 556422679 /nfs/dbraw/zinc/42/26/79/556422679.db2.gz CGAMGLOCVKEDGO-YCPBAFNGSA-N 0 0 463.665 6.645 40 30 JKEBRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=N\Nc2ccc(Cl)cc2)cc1 ZINC000032598108 556450051 /nfs/dbraw/zinc/45/00/51/556450051.db2.gz AVGJAGYILFWZOZ-HTUBYUKXSA-N 0 0 489.988 6.191 40 30 JKEBRN C=C(C)[C@H]1CC[C@]2(COC(C)=O)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 ZINC000253501180 560037870 /nfs/dbraw/zinc/03/78/70/560037870.db2.gz KONAXQKGWYDUTG-HGBGLPRTSA-N 0 0 482.749 7.776 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)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 ZINC000253501219 560037905 /nfs/dbraw/zinc/03/79/05/560037905.db2.gz XXCPTCZYFSRIGU-GMAQRPMGSA-N 0 0 468.722 7.386 40 30 biogenic,in-vitro JKEBRN C=C1CC[C@@H]2C(C)(C)[C@H](OC(=O)/C(C)=C\C)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000225415526 560043514 /nfs/dbraw/zinc/04/35/14/560043514.db2.gz RXCOPEUPNGTASP-ROMAKFQXSA-N 0 0 464.602 6.459 40 30 biogenic,in-vitro JKEBRN COc1cc(/C=N/OCC(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000008690510 562953877 /nfs/dbraw/zinc/95/38/77/562953877.db2.gz KQXMNMCLBVIZNF-MZJWZYIUSA-N 0 0 452.938 5.534 40 30 JKEBRN CC(C)NC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038802155 563135448 /nfs/dbraw/zinc/13/54/48/563135448.db2.gz YXEKBLFIQYTWRW-AAHUKWMTSA-N 0 0 473.658 5.943 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](O)c1ccccc1 ZINC000051943756 563204778 /nfs/dbraw/zinc/20/47/78/563204778.db2.gz OFBANDBMHLEMFA-PXJZQJOASA-N 0 0 474.730 6.018 40 30 in-vitro JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@]12C#N ZINC000008686658 569593012 /nfs/dbraw/zinc/59/30/12/569593012.db2.gz BJZOVPLVGKMJJW-JRFVFWCSSA-N 0 0 467.708 5.736 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059193888 569602372 /nfs/dbraw/zinc/60/23/72/569602372.db2.gz AMODZPYSBJTJPO-WGOQTCKBSA-N 0 0 493.610 5.649 40 30 JKEBRN COc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)c(C)s3)cc2OC)cc1 ZINC000059193857 569602375 /nfs/dbraw/zinc/60/23/75/569602375.db2.gz URUVSVFQSDDQIJ-JVWAILMASA-N 0 0 473.554 5.801 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1Cl ZINC000059193833 569602393 /nfs/dbraw/zinc/60/23/93/569602393.db2.gz NWQOODLLVNHKRO-LQKURTRISA-N 0 0 478.017 7.196 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059193870 569602398 /nfs/dbraw/zinc/60/23/98/569602398.db2.gz LHIOIFHMPORFIX-OGLMXYFKSA-N 0 0 471.582 6.491 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(Cl)cc1 ZINC000059193835 569602410 /nfs/dbraw/zinc/60/24/10/569602410.db2.gz GCIKWWDNXAYBPX-LQKURTRISA-N 0 0 478.017 7.196 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059193876 569602414 /nfs/dbraw/zinc/60/24/14/569602414.db2.gz GWUZTKIZSXBHSV-LQKURTRISA-N 0 0 492.000 6.836 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1OCC ZINC000059246071 569602478 /nfs/dbraw/zinc/60/24/78/569602478.db2.gz YZSGYUHNFWXJDZ-STBIYBPSSA-N 0 0 499.076 6.504 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)ccc1OCc1ccccc1F ZINC000059418041 569602981 /nfs/dbraw/zinc/60/29/81/569602981.db2.gz ZAIONIQIXDLJHO-LPYMAVHISA-N 0 0 468.937 5.958 40 30 JKEBRN Fc1ccccc1COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000059418359 569603234 /nfs/dbraw/zinc/60/32/34/569603234.db2.gz VDGXKUZAVWUTQE-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000059426453 569603512 /nfs/dbraw/zinc/60/35/12/569603512.db2.gz ZFJHZHYDVGTSEX-CVKSISIWSA-N 0 0 472.457 5.690 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N\c1ccccc1 ZINC000059426428 569603537 /nfs/dbraw/zinc/60/35/37/569603537.db2.gz FIVAJQOYQPZZJV-RVOSABIYSA-N 0 0 455.366 7.043 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3c(Cl)cccc3Cl)nc2-c2ccc(Cl)cc2)cc1 ZINC000059425595 569603565 /nfs/dbraw/zinc/60/35/65/569603565.db2.gz DWPLMPMISICWAT-RPPGKUMJSA-N 0 0 488.783 8.096 40 30 JKEBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc4ccccc43)c2-c2ccccc2)cc1 ZINC000059427612 569603571 /nfs/dbraw/zinc/60/35/71/569603571.db2.gz QBCUCQXFCMRPFA-PPFNPFNJSA-N 0 0 493.566 8.623 40 30 JKEBRN C=CCOc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000059435460 569603812 /nfs/dbraw/zinc/60/38/12/569603812.db2.gz LJRKZKSQZJEKLD-JMZGHDDKSA-N 0 0 459.977 5.672 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000059444859 569604022 /nfs/dbraw/zinc/60/40/22/569604022.db2.gz JSEWIIMBLKXBOB-DEDYPNTBSA-N 0 0 454.309 6.131 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccccc2F)c1 ZINC000059446057 569604026 /nfs/dbraw/zinc/60/40/26/569604026.db2.gz QYDIQLPSRJVPIV-UHFFFAOYSA-N 0 0 474.572 6.805 40 30 JKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(OCc4ccccc4Cl)cc3)nc1-2 ZINC000059459310 569604091 /nfs/dbraw/zinc/60/40/91/569604091.db2.gz QMDKRDQDCTVSDU-RWPZCVJISA-N 0 0 460.986 6.900 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)c(C)c1 ZINC000059459415 569604099 /nfs/dbraw/zinc/60/40/99/569604099.db2.gz INILGRNCHVRTMQ-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459252 569604130 /nfs/dbraw/zinc/60/41/30/569604130.db2.gz GWNXLZGFLDVWCZ-RPPGKUMJSA-N 0 0 450.254 6.503 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)cc1 ZINC000059461274 569604210 /nfs/dbraw/zinc/60/42/10/569604210.db2.gz MYVLBKZLCDVXAF-BHGWPJFGSA-N 0 0 474.394 7.554 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4c(Cl)cccc4Cl)sc3c2)c1 ZINC000059461275 569604227 /nfs/dbraw/zinc/60/42/27/569604227.db2.gz AVSBIHUGCPYARY-BHGWPJFGSA-N 0 0 474.394 7.554 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(Br)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463723 569604313 /nfs/dbraw/zinc/60/43/13/569604313.db2.gz GFFYAMQKINICBT-DHRITJCHSA-N 0 0 498.789 7.552 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3[N+](=O)[O-])nc2-c2ccc(Cl)cc2)cc1 ZINC000059463730 569604347 /nfs/dbraw/zinc/60/43/47/569604347.db2.gz BCSQJWUGUVAZTG-ZMOGYAJESA-N 0 0 464.890 6.698 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463793 569604401 /nfs/dbraw/zinc/60/44/01/569604401.db2.gz HUBFSYWWFGKILA-AFUMVMLFSA-N 0 0 458.499 6.661 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)c1 ZINC000059472552 569604418 /nfs/dbraw/zinc/60/44/18/569604418.db2.gz DBBRRBLZENZBNN-MUFRIFMGSA-N 0 0 493.613 7.819 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)cc1 ZINC000059472553 569604421 /nfs/dbraw/zinc/60/44/21/569604421.db2.gz QWUDCNNBZYRZTJ-MUFRIFMGSA-N 0 0 493.613 7.819 40 30 JKEBRN Cc1ccc(-c2nc(/N=C/c3c(O)ccc4ccccc43)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463802 569604457 /nfs/dbraw/zinc/60/44/57/569604457.db2.gz UPMQIAVGWZEOHO-MUFRIFMGSA-N 0 0 479.561 7.612 40 30 JKEBRN COc1cccc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)c1O ZINC000059472558 569604464 /nfs/dbraw/zinc/60/44/64/569604464.db2.gz CNDAUCCLPUHZIM-OKCVXOCRSA-N 0 0 494.641 7.625 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474782 569604549 /nfs/dbraw/zinc/60/45/49/569604549.db2.gz CTLHAIGYSNYIDP-FSJBWODESA-N 0 0 464.528 5.392 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474811 569604566 /nfs/dbraw/zinc/60/45/66/569604566.db2.gz RCOHAWWJFNOHPC-FSJBWODESA-N 0 0 493.526 5.594 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059474891 569604600 /nfs/dbraw/zinc/60/46/00/569604600.db2.gz VUHYTLNLMUNYMH-VULFUBBASA-N 0 0 462.962 7.102 40 30 JKEBRN Clc1ccc(-c2sc(N=NCc3ccc(OCc4ccccc4)cc3)nc2-c2ccccc2)cc1 ZINC000059475142 569604601 /nfs/dbraw/zinc/60/46/01/569604601.db2.gz OTDVULKLSNUDLZ-ZCTHSVRISA-N 0 0 496.035 8.156 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1)NC[C@@H]1CCCO1 ZINC000059474851 569604619 /nfs/dbraw/zinc/60/46/19/569604619.db2.gz OBGKULMBFFTENO-ZFVWIKOCSA-N 0 0 463.987 5.227 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(N(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059474892 569604658 /nfs/dbraw/zinc/60/46/58/569604658.db2.gz JYRUFTYVOMSUFI-JVWAILMASA-N 0 0 471.586 6.514 40 30 JKEBRN C(=N\n1cnnc1)\c1ccc(Sc2nnc(Cc3cccc4ccccc43)n2-c2ccccc2)o1 ZINC000059483290 569604813 /nfs/dbraw/zinc/60/48/13/569604813.db2.gz FGUAGRMMKWDAEO-MWLSYYOVSA-N 0 0 477.553 5.229 40 30 JKEBRN C=CCSc1nc2ccc(/N=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)cc2s1 ZINC000059483322 569604908 /nfs/dbraw/zinc/60/49/08/569604908.db2.gz SLCWMQFTOZOENR-ZVHZXABRSA-N 0 0 464.597 6.779 40 30 JKEBRN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)cc1 ZINC000059483405 569604934 /nfs/dbraw/zinc/60/49/34/569604934.db2.gz ZQGFESQDZYVZKT-ZMOGYAJESA-N 0 0 478.555 5.695 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3s2)cc1Cl ZINC000059483462 569604955 /nfs/dbraw/zinc/60/49/55/569604955.db2.gz IHGLVHYEZXNFFW-BRJLIKDPSA-N 0 0 497.001 6.648 40 30 JKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484312 569605051 /nfs/dbraw/zinc/60/50/51/569605051.db2.gz NLAJPYJNZRNMNT-MWAVMZGNSA-N 0 0 469.654 8.191 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(OC(=O)c4ccccc4)cc3)sc2-c2ccccc2)cc1 ZINC000059484342 569605105 /nfs/dbraw/zinc/60/51/05/569605105.db2.gz COKNGFALKWWWOE-AJBULDERSA-N 0 0 489.600 7.451 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1OCC ZINC000059484495 569605114 /nfs/dbraw/zinc/60/51/14/569605114.db2.gz NKNWQZRABIZRBW-VULFUBBASA-N 0 0 479.330 5.196 40 30 JKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000059484859 569605192 /nfs/dbraw/zinc/60/51/92/569605192.db2.gz NCPVXRSBZOPRGE-DSTPSKMHSA-N 0 0 455.627 6.206 40 30 JKEBRN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000059485696 569605380 /nfs/dbraw/zinc/60/53/80/569605380.db2.gz QABLZIUPUILGKC-SWTPCDENSA-N 0 0 494.676 5.137 40 30 JKEBRN CN(C)c1ccc(/C=N/c2ccc3nc(SCC(=O)NC(C)(C)C)sc3c2)cc1[N+](=O)[O-] ZINC000059488216 569605444 /nfs/dbraw/zinc/60/54/44/569605444.db2.gz VJZTUFCNTZPVGH-FSJBWODESA-N 0 0 471.608 5.028 40 30 JKEBRN Cc1ccc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N(CC(C)C)CC(C)C)c2)o1 ZINC000059490065 569605950 /nfs/dbraw/zinc/60/59/50/569605950.db2.gz RGTBVQFKWKUHDH-WGOQTCKBSA-N 0 0 459.656 5.632 40 30 JKEBRN CCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCC ZINC000059490903 569605985 /nfs/dbraw/zinc/60/59/85/569605985.db2.gz DFKBFBPHOGVNGQ-OCEACIFDSA-N 0 0 480.774 9.251 40 30 JKEBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1SCc1ccccc1 ZINC000059489952 569605993 /nfs/dbraw/zinc/60/59/93/569605993.db2.gz FBQLZUXGQXEHCA-PXMCARDJSA-N 0 0 450.568 5.130 40 30 JKEBRN COc1cc(/C=N/c2ccc3ccccc3c2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500690 569606087 /nfs/dbraw/zinc/60/60/87/569606087.db2.gz KCAREWIFLRFZRP-MUFRIFMGSA-N 0 0 471.965 7.686 40 30 JKEBRN O=[N+]([O-])c1ccc(CC=CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000059500253 569606102 /nfs/dbraw/zinc/60/61/02/569606102.db2.gz NJJFELCDDGUIPW-CJWOJCOVSA-N 0 0 452.478 5.378 40 30 JKEBRN COc1cc(/C=N/c2cccc3ccccc32)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500680 569606161 /nfs/dbraw/zinc/60/61/61/569606161.db2.gz WSVKCXLIVLNOPU-MUFRIFMGSA-N 0 0 471.965 7.686 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)SC1=S ZINC000059502378 569606266 /nfs/dbraw/zinc/60/62/66/569606266.db2.gz OYXSJSRSVHIKHF-YBFXNURJSA-N 0 0 487.515 5.081 40 30 JKEBRN O=C(Oc1ccccc1/C=N/c1cccc(Br)c1)c1sc2ccccc2c1Cl ZINC000059500717 569606288 /nfs/dbraw/zinc/60/62/88/569606288.db2.gz NZAWLWBXXLKTEV-DHRITJCHSA-N 0 0 470.775 7.287 40 30 JKEBRN O=C(Oc1cccc(/C=N/c2ccc(Br)cc2)c1)c1sc2ccccc2c1Cl ZINC000059503591 569606327 /nfs/dbraw/zinc/60/63/27/569606327.db2.gz QQEXYWYTDHGMRD-DHRITJCHSA-N 0 0 470.775 7.287 40 30 JKEBRN O=[N+]([O-])c1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 ZINC000059506172 569606350 /nfs/dbraw/zinc/60/63/50/569606350.db2.gz LAUMCXRZHFWXMR-SKWFZLDSSA-N 0 0 473.576 7.223 40 30 JKEBRN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c2ccccc12 ZINC000059514396 569606373 /nfs/dbraw/zinc/60/63/73/569606373.db2.gz KNJBJCBKHJHFKA-OVVQPSECSA-N 0 0 453.550 5.213 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000059566920 569607075 /nfs/dbraw/zinc/60/70/75/569607075.db2.gz IFCIOHRZITXDDT-MTJSOVHGSA-N 0 0 470.425 6.909 40 30 JKEBRN Cc1c(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000059567017 569607107 /nfs/dbraw/zinc/60/71/07/569607107.db2.gz WVNVKEHMBIYBLH-UCQKPKSFSA-N 0 0 492.431 7.196 40 30 JKEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000059639421 569607368 /nfs/dbraw/zinc/60/73/68/569607368.db2.gz KUVMMPQIPBNNCG-UHFFFAOYSA-N 0 0 484.346 6.366 40 30 JKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000059679494 569607544 /nfs/dbraw/zinc/60/75/44/569607544.db2.gz MCYCGISBHCNOJS-AUEPDCJTSA-N 0 0 485.186 7.037 40 30 JKEBRN CCCCCCCC(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@H]12 ZINC000059840099 569607773 /nfs/dbraw/zinc/60/77/73/569607773.db2.gz ILPVHYHYZKZHPR-CUWXCLFHSA-N 0 0 474.597 6.316 40 30 in-vitro JKEBRN NC(=O)c1c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2 ZINC000033392181 569625650 /nfs/dbraw/zinc/62/56/50/569625650.db2.gz HGNYYBPYUZHESS-UHFFFAOYSA-N 0 0 484.455 5.785 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000033541352 569627679 /nfs/dbraw/zinc/62/76/79/569627679.db2.gz VQVONGWZSWSAOT-RUZDIDTESA-N 0 0 491.609 5.710 40 30 JKEBRN Cc1ccc(NC(=O)CO/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000033562249 569627906 /nfs/dbraw/zinc/62/79/06/569627906.db2.gz IUFPUSGTSFVODG-MWLSYYOVSA-N 0 0 458.945 6.370 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000033572682 569628122 /nfs/dbraw/zinc/62/81/22/569628122.db2.gz NGXYUJJNPAKLNB-FSJBWODESA-N 0 0 456.842 5.190 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000033575658 569628154 /nfs/dbraw/zinc/62/81/54/569628154.db2.gz LGRBOFWCDZLBFQ-VYYCAZPPSA-N 0 0 456.901 5.446 40 30 JKEBRN COC(=O)c1sc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000033621345 569629009 /nfs/dbraw/zinc/62/90/09/569629009.db2.gz KBDRDAYNMROZTM-UHFFFAOYSA-N 0 0 484.411 5.774 40 30 JKEBRN CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C#N)c1C ZINC000033636767 569629303 /nfs/dbraw/zinc/62/93/03/569629303.db2.gz FQCRHIAEAYZKAM-UHFFFAOYSA-N 0 0 467.572 5.109 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000033656598 569629920 /nfs/dbraw/zinc/62/99/20/569629920.db2.gz AFMSONHPEHVRGF-UHFFFAOYSA-N 0 0 489.384 5.924 40 30 JKEBRN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000033659847 569629992 /nfs/dbraw/zinc/62/99/92/569629992.db2.gz MRILFSVKPZMBCT-UHFFFAOYSA-N 0 0 467.809 5.647 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000033662092 569630098 /nfs/dbraw/zinc/63/00/98/569630098.db2.gz GYAPWIUGPDWRGE-AREMUKBSSA-N 0 0 489.543 5.226 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000033675515 569630614 /nfs/dbraw/zinc/63/06/14/569630614.db2.gz OXIVTXXISYEAKS-NRFANRHFSA-N 0 0 489.472 6.499 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000033675514 569630622 /nfs/dbraw/zinc/63/06/22/569630622.db2.gz OXIVTXXISYEAKS-OAQYLSRUSA-N 0 0 489.472 6.499 40 30 JKEBRN N#Cc1c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2 ZINC000033722129 569632009 /nfs/dbraw/zinc/63/20/09/569632009.db2.gz CKJVVHRTSUNJKV-UHFFFAOYSA-N 0 0 466.440 6.558 40 30 JKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000033728111 569632297 /nfs/dbraw/zinc/63/22/97/569632297.db2.gz UVPNBAFSOMHAHV-UHFFFAOYSA-N 0 0 452.668 5.641 40 30 JKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000033740569 569633118 /nfs/dbraw/zinc/63/31/18/569633118.db2.gz FMJFAZQGUYXUIC-FBOFCAQXSA-N 0 0 487.596 5.308 40 30 JKEBRN CCCCCC(/C=N/NC(=S)N/N=C\C(=C/c1ccccc1)CCCCC)=C\c1ccccc1 ZINC000033766443 569634077 /nfs/dbraw/zinc/63/40/77/569634077.db2.gz LGNIKDPAZKTRIY-FSABYEKISA-N 0 0 474.718 7.750 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000033778178 569634434 /nfs/dbraw/zinc/63/44/34/569634434.db2.gz UALDXRYXFKLJLP-UHFFFAOYSA-N 0 0 464.418 6.349 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1C ZINC000033787574 569635102 /nfs/dbraw/zinc/63/51/02/569635102.db2.gz NPHKCKXVMIODMH-UHFFFAOYSA-N 0 0 457.397 5.241 40 30 JKEBRN CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1C#N ZINC000033787338 569635136 /nfs/dbraw/zinc/63/51/36/569635136.db2.gz SMTAHTARWFPRAC-UHFFFAOYSA-N 0 0 471.626 5.029 40 30 JKEBRN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033921156 569637577 /nfs/dbraw/zinc/63/75/77/569637577.db2.gz KTJLPQXANMDFGJ-CQQKDQNOSA-N 0 0 491.399 8.062 40 30 JKEBRN C=CCOc1c(I)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OC ZINC000033927637 569637891 /nfs/dbraw/zinc/63/78/91/569637891.db2.gz XMNXHJZLUAFZHE-LICLKQGHSA-N 0 0 474.294 5.154 40 30 JKEBRN CCCCCCCCCCCC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000064859035 569639048 /nfs/dbraw/zinc/63/90/48/569639048.db2.gz ZJZPELRZWMRYGW-YZRKUJAWSA-N 0 0 467.782 8.857 40 30 in-vitro JKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)c(F)c(F)c(F)c1F ZINC000033957395 569639419 /nfs/dbraw/zinc/63/94/19/569639419.db2.gz MZASFPZPUCODOP-LEHITKEWSA-N 0 0 462.462 6.419 40 30 JKEBRN CC(=O)/C(=N\Nc1ccccc1)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 ZINC000033958126 569639448 /nfs/dbraw/zinc/63/94/48/569639448.db2.gz HKCQOTLGAMHBLF-RTGHAWDRSA-N 0 0 488.638 5.679 40 30 JKEBRN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)Oc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000034144935 569639732 /nfs/dbraw/zinc/63/97/32/569639732.db2.gz AHTVCUCCYWJVPQ-SDHSZQHLSA-N 0 0 451.913 5.347 40 30 JKEBRN C#CCn1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000034688392 569645656 /nfs/dbraw/zinc/64/56/56/569645656.db2.gz IBRLXHJOHDZGLT-VJJXQLHZSA-N 0 0 461.590 6.700 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000034695249 569647457 /nfs/dbraw/zinc/64/74/57/569647457.db2.gz VGHWMPHKOPCRAA-UHFFFAOYSA-N 0 0 460.784 6.586 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000034706496 569649538 /nfs/dbraw/zinc/64/95/38/569649538.db2.gz QNSDPTQOVWVKAN-SRZZPIQSSA-N 0 0 458.272 5.119 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000034714245 569651602 /nfs/dbraw/zinc/65/16/02/569651602.db2.gz PNHIUCQKFJSXRM-UUYOSTAYSA-N 0 0 476.602 5.937 40 30 JKEBRN CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000034721543 569652526 /nfs/dbraw/zinc/65/25/26/569652526.db2.gz UVKDMZFKTZTLQU-UHFFFAOYSA-N 0 0 493.688 6.970 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000034868973 569668171 /nfs/dbraw/zinc/66/81/71/569668171.db2.gz YOZWVVRQONSEMU-IBGZPJMESA-N 0 0 485.613 5.148 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000034881380 569668819 /nfs/dbraw/zinc/66/88/19/569668819.db2.gz OJADIRSAYJYSPA-OAQYLSRUSA-N 0 0 489.472 6.499 40 30 JKEBRN CCOc1cc(C=NNc2ccccc2)cc(I)c1OCc1ccccc1 ZINC000035077402 569674349 /nfs/dbraw/zinc/67/43/49/569674349.db2.gz OFHSGIJVRAUNKF-BUVRLJJBSA-N 0 0 472.326 5.715 40 30 JKEBRN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000035131790 569675537 /nfs/dbraw/zinc/67/55/37/569675537.db2.gz UKSXMYUDMCTMKC-QFIPXVFZSA-N 0 0 499.036 5.228 40 30 JKEBRN N#Cc1ccc(Oc2cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1C#N ZINC000035140463 569675571 /nfs/dbraw/zinc/67/55/71/569675571.db2.gz QNNMTIUYAYNSGB-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN N#Cc1ccc(Oc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1C#N ZINC000035140528 569675670 /nfs/dbraw/zinc/67/56/70/569675670.db2.gz JGJAKMWZTKCXSM-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN N#Cc1ccc(Oc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2)cc1C#N ZINC000035140491 569675686 /nfs/dbraw/zinc/67/56/86/569675686.db2.gz HDNDEODKLLRXIM-NDEPHWFRSA-N 0 0 492.918 6.657 40 30 JKEBRN N#Cc1cccc(Oc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)c2)c1C#N ZINC000035140504 569675716 /nfs/dbraw/zinc/67/57/16/569675716.db2.gz APEWCGVILLGWGC-NDEPHWFRSA-N 0 0 492.918 6.657 40 30 JKEBRN CC(N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000035146814 569675791 /nfs/dbraw/zinc/67/57/91/569675791.db2.gz JGKXNTJQHMQPIS-QQXSKIMKSA-N 0 0 494.960 6.038 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1OC ZINC000035147230 569675897 /nfs/dbraw/zinc/67/58/97/569675897.db2.gz MQAZUIVICOAAOW-OTQLOIIPSA-N 0 0 487.527 5.064 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000035147226 569675962 /nfs/dbraw/zinc/67/59/62/569675962.db2.gz SQKLSYOVJOOTOH-FZTGKGDASA-N 0 0 487.527 5.064 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000035147214 569675972 /nfs/dbraw/zinc/67/59/72/569675972.db2.gz IQPHZAJKWAEXTD-OQIXACFNSA-N 0 0 483.564 5.233 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147489 569676002 /nfs/dbraw/zinc/67/60/02/569676002.db2.gz FSKLZIXWTIACHF-RUZDIDTESA-N 0 0 481.508 5.206 40 30 JKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147491 569676188 /nfs/dbraw/zinc/67/61/88/569676188.db2.gz FSKLZIXWTIACHF-VWLOTQADSA-N 0 0 481.508 5.206 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000035147502 569676210 /nfs/dbraw/zinc/67/62/10/569676210.db2.gz WBHMGDHVSSIWLH-XMMPIXPASA-N 0 0 485.471 5.036 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164173 569676364 /nfs/dbraw/zinc/67/63/64/569676364.db2.gz FOMBJJPHGKOOBX-XMMPIXPASA-N 0 0 472.566 5.367 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164203 569676370 /nfs/dbraw/zinc/67/63/70/569676370.db2.gz AUEMWRISSFKJHI-QHCPKHFHSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000035164123 569676389 /nfs/dbraw/zinc/67/63/89/569676389.db2.gz UCIUHPAMCWSSLK-IUUBXHLCSA-N 0 0 494.547 5.103 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000035164119 569676468 /nfs/dbraw/zinc/67/64/68/569676468.db2.gz JDXDBEDCVOKFHV-YMQVXYQWSA-N 0 0 494.547 5.103 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3Cl)c2c1 ZINC000035164185 569676488 /nfs/dbraw/zinc/67/64/88/569676488.db2.gz VGVQVTNQLMGMCI-QHCPKHFHSA-N 0 0 492.984 5.712 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164255 569676531 /nfs/dbraw/zinc/67/65/31/569676531.db2.gz ZMOCGFFWZKQSGX-NDEPHWFRSA-N 0 0 480.564 5.235 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164252 569676547 /nfs/dbraw/zinc/67/65/47/569676547.db2.gz ZMOCGFFWZKQSGX-MUUNZHRXSA-N 0 0 480.564 5.235 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164962 569676760 /nfs/dbraw/zinc/67/67/60/569676760.db2.gz NMIWAMPDFCSIPS-MHZLTWQESA-N 0 0 480.564 5.614 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3Cl)c2c1 ZINC000035164870 569676773 /nfs/dbraw/zinc/67/67/73/569676773.db2.gz PJZBCRDZAJARME-RUZDIDTESA-N 0 0 486.955 5.651 40 30 JKEBRN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164856 569676775 /nfs/dbraw/zinc/67/67/75/569676775.db2.gz UIYAGXFNVAWCNW-SANMLTNESA-N 0 0 482.536 5.006 40 30 JKEBRN Cc1ccc(C(=O)C2=C(Nc3ccccc3)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000066088067 569676759 /nfs/dbraw/zinc/67/67/59/569676759.db2.gz ZTYPHKPVSDSVFN-MUUNZHRXSA-N 0 0 478.523 6.177 40 30 JKEBRN Cc1ccc(C(=O)C2=C(Nc3ccccc3)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2F)cc1 ZINC000066088069 569676776 /nfs/dbraw/zinc/67/67/76/569676776.db2.gz ZTYPHKPVSDSVFN-NDEPHWFRSA-N 0 0 478.523 6.177 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164866 569676796 /nfs/dbraw/zinc/67/67/96/569676796.db2.gz UQIZVXICBUWNHG-RUZDIDTESA-N 0 0 486.955 5.651 40 30 JKEBRN CCOC(=O)[C@H]1/C(=N/N=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@@H]1c1ccccc1 ZINC000066088799 569676822 /nfs/dbraw/zinc/67/68/22/569676822.db2.gz RHNXRVZLOFJVJW-IQFQDCHPSA-N 0 0 454.570 5.388 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035164889 569676836 /nfs/dbraw/zinc/67/68/36/569676836.db2.gz MMQSDJIOGAFFGB-VWLOTQADSA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000035164969 569676857 /nfs/dbraw/zinc/67/68/57/569676857.db2.gz BOZFQUQPGAGQPN-HHHXNRCGSA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3F)c2c1 ZINC000035164895 569676862 /nfs/dbraw/zinc/67/68/62/569676862.db2.gz RDDOPFNOTXYQEI-RUZDIDTESA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)c2c1 ZINC000035165162 569676889 /nfs/dbraw/zinc/67/68/89/569676889.db2.gz SRAHNKGHODKKQF-VWLOTQADSA-N 0 0 486.955 5.651 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccnc3)c2c1 ZINC000035165217 569676910 /nfs/dbraw/zinc/67/69/10/569676910.db2.gz AJSYVDZPLGSHFN-XMMPIXPASA-N 0 0 487.943 5.046 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3F)c2c1 ZINC000035165124 569676917 /nfs/dbraw/zinc/67/69/17/569676917.db2.gz RVHJOEGFZUXXBZ-RUZDIDTESA-N 0 0 488.490 5.276 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(O)c3)c2c1 ZINC000035165061 569676919 /nfs/dbraw/zinc/67/69/19/569676919.db2.gz BHNMBWKQTGDSTK-AREMUKBSSA-N 0 0 482.536 5.012 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)c2c1 ZINC000035165069 569676937 /nfs/dbraw/zinc/67/69/37/569676937.db2.gz VXHLPLWFANHCEH-RUZDIDTESA-N 0 0 470.500 5.137 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)c2c1 ZINC000035165160 569676958 /nfs/dbraw/zinc/67/69/58/569676958.db2.gz SRAHNKGHODKKQF-RUZDIDTESA-N 0 0 486.955 5.651 40 30 JKEBRN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C[C@H]2CC#CC(C)(C)Br ZINC000035188557 569677738 /nfs/dbraw/zinc/67/77/38/569677738.db2.gz GCKPGMDLCQIZGI-FZQKWOKYSA-N 0 0 451.015 5.220 40 30 JKEBRN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C[C@@H]2CC#CC(C)(C)Br ZINC000035188558 569677814 /nfs/dbraw/zinc/67/78/14/569677814.db2.gz GCKPGMDLCQIZGI-FZZIBODNSA-N 0 0 451.015 5.220 40 30 JKEBRN N=C1S[C@@H](/C(=N/c2ccccc2)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000035190510 569677929 /nfs/dbraw/zinc/67/79/29/569677929.db2.gz NHDUOPXJCYGFFO-CLBHWCBISA-N 0 0 451.570 7.245 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000035198819 569678106 /nfs/dbraw/zinc/67/81/06/569678106.db2.gz GNONDYKRKZAEDE-UHFFFAOYSA-N 0 0 489.384 5.924 40 30 JKEBRN C#CCn1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)c2ccccc21 ZINC000035203042 569678209 /nfs/dbraw/zinc/67/82/09/569678209.db2.gz ZXILJKBPVUUYJX-HNSNBQBZSA-N 0 0 485.543 6.841 40 30 JKEBRN CCc1ccc(/N=C2/S/C(=C/c3ccc(Cl)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000035202308 569678269 /nfs/dbraw/zinc/67/82/69/569678269.db2.gz CWYYUASOMSMDCR-OZLPRIQYSA-N 0 0 477.029 6.758 40 30 JKEBRN N#Cc1c(C#N)c(Sc2nc3c(c(C#N)c2C#N)CCCCCC3)nc2c1CCCCCC2 ZINC000035323802 569680661 /nfs/dbraw/zinc/68/06/61/569680661.db2.gz MPKJMARMYNIPCT-UHFFFAOYSA-N 0 0 452.587 5.433 40 30 JKEBRN C[C@H](CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068591388 569691371 /nfs/dbraw/zinc/69/13/71/569691371.db2.gz 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CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)s1 ZINC000072230170 569700836 /nfs/dbraw/zinc/70/08/36/569700836.db2.gz NCWYQNDQDZCQFO-WGOQTCKBSA-N 0 0 456.015 5.418 40 30 JKEBRN CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000072230228 569700859 /nfs/dbraw/zinc/70/08/59/569700859.db2.gz SPSJFZXUQHCHFM-VULFUBBASA-N 0 0 476.433 5.763 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000072400496 569703613 /nfs/dbraw/zinc/70/36/13/569703613.db2.gz LMDKSTRSSZZWDK-KTKRTIGZSA-N 0 0 463.703 7.972 40 30 in-vitro JKEBRN CCCCCCCCCCCCCCCCCc1cccc(OCOCCOC)c1CO ZINC000073406905 569704482 /nfs/dbraw/zinc/70/44/82/569704482.db2.gz GQJYDZQEZRVOMB-UHFFFAOYSA-N 0 0 450.704 7.592 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)ON1C(=S)N[C@](C)(c2ccccc2)C1=S ZINC000073409656 569704522 /nfs/dbraw/zinc/70/45/22/569704522.db2.gz KRRGUCFOEOGFPW-AREMUKBSSA-N 0 0 476.752 7.359 40 30 JKEBRN COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)OC(C)(C)C ZINC000077286211 569705493 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0 491.075 8.979 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000096803917 569743164 /nfs/dbraw/zinc/74/31/64/569743164.db2.gz VOXKDWZDWIVAFM-WUZUTXDTSA-N 0 0 491.660 7.774 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000097024454 569744135 /nfs/dbraw/zinc/74/41/35/569744135.db2.gz MLSAQUHORLYQBG-HMAPJEAMSA-N 0 0 495.398 5.928 40 30 JKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=N)S1 ZINC000097964983 569748093 /nfs/dbraw/zinc/74/80/93/569748093.db2.gz YTLXFGYUAIXOLJ-DZMCVATHSA-N 0 0 483.641 6.669 40 30 JKEBRN CCCCCCCOc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3)n2)cc1 ZINC000098048075 569749961 /nfs/dbraw/zinc/74/99/61/569749961.db2.gz WOOTWRCOMFIKGY-UHFFFAOYSA-N 0 0 453.633 6.286 40 30 JKEBRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(=O)C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000098181787 569750763 /nfs/dbraw/zinc/75/07/63/569750763.db2.gz JFACETXYABVHFD-ZAZHENERSA-N 0 0 464.646 6.786 40 30 JKEBRN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1 ZINC000100024685 569751362 /nfs/dbraw/zinc/75/13/62/569751362.db2.gz IYTAKPNKXLNLJP-UHFFFAOYSA-N 0 0 458.562 5.885 40 30 JKEBRN FC(F)(F)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000100043075 569751818 /nfs/dbraw/zinc/75/18/18/569751818.db2.gz OXQHQHZMHCGTFY-UHFFFAOYSA-N 0 0 450.063 5.718 40 30 JKEBRN CCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCC ZINC000100049285 569751944 /nfs/dbraw/zinc/75/19/44/569751944.db2.gz HEJZJSIRBLOWPD-WCWDXBQESA-N 0 0 452.720 8.471 40 30 JKEBRN CCCCCCCCOC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 ZINC000100051637 569752049 /nfs/dbraw/zinc/75/20/49/569752049.db2.gz DMFXLIFZVRXRRR-UHFFFAOYSA-N 0 0 486.056 6.913 40 30 JKEBRN CC(=O)c1cccc(N=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000100068582 569752258 /nfs/dbraw/zinc/75/22/58/569752258.db2.gz UIZGIOPQWNTRND-QNKGDIEWSA-N 0 0 474.991 8.418 40 30 JKEBRN CC(C)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 ZINC000100081782 569752659 /nfs/dbraw/zinc/75/26/59/569752659.db2.gz QCZIFRGAZJQUFL-STKMKYKTSA-N 0 0 485.587 8.594 40 30 JKEBRN Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000100102748 569752968 /nfs/dbraw/zinc/75/29/68/569752968.db2.gz CASKYZAQVMFANA-UZWMFBFFSA-N 0 0 491.978 8.432 40 30 JKEBRN Cc1cc(C)cc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 ZINC000100111396 569753088 /nfs/dbraw/zinc/75/30/88/569753088.db2.gz KWFHRKSXFIVLKZ-QNKGDIEWSA-N 0 0 461.008 8.832 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116063 569753149 /nfs/dbraw/zinc/75/31/49/569753149.db2.gz NICBISSOAJDDJE-SNEUTOQVSA-N 0 0 483.681 7.648 40 30 JKEBRN Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 ZINC000100145229 569753874 /nfs/dbraw/zinc/75/38/74/569753874.db2.gz YKFLJITUWNSBGX-NJZRLIGZSA-N 0 0 457.533 7.779 40 30 JKEBRN CCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100166240 569754504 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40 30 JKEBRN C(=N\c1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2)\c1ccc2c(c1)OCO2 ZINC000104124697 569841615 /nfs/dbraw/zinc/84/16/15/569841615.db2.gz XOAZLOFUQMVSOJ-DKJPXDOUSA-N 0 0 460.489 6.216 40 30 JKEBRN COc1ccc(/N=C2/S/C(=C/C(=O)Nc3ccccc3Cl)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000104127315 569841674 /nfs/dbraw/zinc/84/16/74/569841674.db2.gz YWAJTZSEDKSOBN-MDJVAVCCSA-N 0 0 493.972 5.647 40 30 JKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/C)N(C)c1ccc(OC)cc1 ZINC000104187894 569842605 /nfs/dbraw/zinc/84/26/05/569842605.db2.gz OFNAJUMESZDORL-PNHLSOANSA-N 0 0 481.747 6.866 40 30 JKEBRN CCCCCCCCCCCC(=O)N(CCOC(=O)C(C)(C)C)CCOC(=O)C(C)(C)C ZINC000104192867 569842739 /nfs/dbraw/zinc/84/27/39/569842739.db2.gz SCJVEFKQXGAHHC-UHFFFAOYSA-N 0 0 455.680 5.915 40 30 JKEBRN CCCCCCCCCCCC(=O)N(CCOC(=O)c1ccccc1)CCOC(=O)c1ccccc1 ZINC000104192858 569842763 /nfs/dbraw/zinc/84/27/63/569842763.db2.gz HWGFAMXKZWVHDS-UHFFFAOYSA-N 0 0 495.660 6.450 40 30 JKEBRN C[C@@H](C/N=C(/CC(=O)c1ccccc1)c1ccccc1)/N=C(\CC(=O)c1ccccc1)c1ccccc1 ZINC000104207941 569843086 /nfs/dbraw/zinc/84/30/86/569843086.db2.gz FUVNZQLHWUMHES-GEGQOCMSSA-N 0 0 486.615 6.900 40 30 JKEBRN O=C(C/C(=N/CC/N=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104207920 569843088 /nfs/dbraw/zinc/84/30/88/569843088.db2.gz XCESBWHANCTJOW-YIVISXGPSA-N 0 0 472.588 6.511 40 30 JKEBRN O=C(C/C(=N/CCC/N=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104207905 569843133 /nfs/dbraw/zinc/84/31/33/569843133.db2.gz IJHWWDFVZSRDBB-NRXMAPPISA-N 0 0 486.615 6.901 40 30 JKEBRN C/C(=N\CC/N=C(\C)c1cc(C)cc(Br)c1O)c1cc(C)cc(Br)c1O ZINC000104234025 569843809 /nfs/dbraw/zinc/84/38/09/569843809.db2.gz WGACGHZVZGCPHS-RNIAWFEPSA-N 0 0 482.216 5.558 40 30 JKEBRN CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)CC(=O)[C@@]3(CC=C(C)C)C/C=C(/C)CO ZINC000104240419 569843840 /nfs/dbraw/zinc/84/38/40/569843840.db2.gz SGUDGTARBCYZOQ-XOVQLLNHSA-N 0 0 476.613 6.629 40 30 JKEBRN CN(/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1)/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000104252265 569844163 /nfs/dbraw/zinc/84/41/63/569844163.db2.gz FIGYXQSTKGPSBG-XWFWGDPBSA-N 0 0 499.566 6.218 40 30 JKEBRN CCCCCCCOC(=O)c1cc2cc([C@H](CC)[C@@H](CC)c3ccc(O)cc3)ccc2oc1=O ZINC000104274838 569844607 /nfs/dbraw/zinc/84/46/07/569844607.db2.gz DGIMEBHEEHARSG-DQEYMECFSA-N 0 0 464.602 7.313 40 30 JKEBRN O=C1/C(=C/c2ccccc2)C2/C(=C/c3ccccc3)C(=O)/C(=C\c3ccccc3)C2/C1=C/c1ccccc1 ZINC000104279328 569844613 /nfs/dbraw/zinc/84/46/13/569844613.db2.gz DHQCQYHJPBFOQY-DSZZTXIYSA-N 0 0 490.602 7.719 40 30 JKEBRN CC(C)COC(=O)c1ccc(/N=C\c2ccc(/C=N\c3ccc(C(=O)OCC(C)C)cc3)cc2)cc1 ZINC000104288885 569844725 /nfs/dbraw/zinc/84/47/25/569844725.db2.gz FZFMLVRMAJJQOL-KUUUIRGPSA-N 0 0 484.596 6.813 40 30 JKEBRN COc1ccc(-c2oc(/C=N\c3ccccc3)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC ZINC000104291444 569844782 /nfs/dbraw/zinc/84/47/82/569844782.db2.gz HNAYZJPMQRYDPB-NTFVMDSBSA-N 0 0 488.496 6.307 40 30 JKEBRN O=C(CSc1nnc(-c2ccc(/N=C/c3ccc(Cl)cc3)cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000104299819 569844960 /nfs/dbraw/zinc/84/49/60/569844960.db2.gz ZTVNQLTVZCGYCL-DHRITJCHSA-N 0 0 493.932 5.780 40 30 JKEBRN CCCCOC(=O)C(=O)/C(=C\N1C(=O)/C(=C\C(C)=C/c2ccccc2)SC1=S)C(=O)C=C(C)C ZINC000104303987 569845076 /nfs/dbraw/zinc/84/50/76/569845076.db2.gz PAOGZVBCCVDOBT-GFTYQODKSA-N 0 0 497.638 5.166 40 30 JKEBRN CCCCOC(=O)C(=O)/C(=C\N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S)C(=O)C=C(C)C ZINC000104303996 569845089 /nfs/dbraw/zinc/84/50/89/569845089.db2.gz PAOGZVBCCVDOBT-FFYGNDDQSA-N 0 0 497.638 5.166 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000104365245 569845249 /nfs/dbraw/zinc/84/52/49/569845249.db2.gz PCOKKNJGUXTQGU-WEMUOSSPSA-N 0 0 476.731 7.654 40 30 JKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000104356555 569845271 /nfs/dbraw/zinc/84/52/71/569845271.db2.gz ZZXUWAAWANDBSI-KTKRTIGZSA-N 0 0 472.453 8.845 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OC 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JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(C#N)cc1 ZINC000104378962 569845492 /nfs/dbraw/zinc/84/54/92/569845492.db2.gz XBMUXJSFCWKETM-BGABXYSRSA-N 0 0 456.744 7.618 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1c(O)ccc2ccccc21 ZINC000104374392 569845505 /nfs/dbraw/zinc/84/55/05/569845505.db2.gz RSEUQTVIPYVZDC-MKCFTUBBSA-N 0 0 497.793 8.605 40 30 JKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cc(Br)ccc1O ZINC000104376669 569845514 /nfs/dbraw/zinc/84/55/14/569845514.db2.gz ABIPBTUKTPGTJE-OOAXWGSJSA-N 0 0 498.575 7.434 40 30 JKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\[C@@H](CC)CCCC ZINC000104378977 569845522 /nfs/dbraw/zinc/84/55/22/569845522.db2.gz WMLREYKLSMRNEJ-HFVAWESISA-N 0 0 453.825 8.914 40 30 JKEBRN FC(F)(F)C(F)(F)[C@]1(C(F)(C(F)(F)F)C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F ZINC000104816270 569846432 /nfs/dbraw/zinc/84/64/32/569846432.db2.gz OZQNQQRUDNMYNL-UWTATZPHSA-N 0 0 466.062 5.649 40 30 JKEBRN Cc1ccc(C)c(/N=C2\S/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)N2Cc2cccs2)c1 ZINC000105283902 569852758 /nfs/dbraw/zinc/85/27/58/569852758.db2.gz UFLHNHMSLMACBV-HZHQRTMQSA-N 0 0 473.450 7.476 40 30 JKEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)C=C(Cl)C(=O)[C@@H]13 ZINC000105366786 569852892 /nfs/dbraw/zinc/85/28/92/569852892.db2.gz RBMXOEUCEBPGAY-VJCYOGCHSA-N 0 0 459.026 5.491 40 30 JKEBRN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)O[C@H](c3ccccc3)[C@]23CC/C(=C\c2ccccc2)C3=O)cc1 ZINC000105365022 569852894 /nfs/dbraw/zinc/85/28/94/569852894.db2.gz RKBDOAXHCTZDTQ-PPLXUESMSA-N 0 0 494.631 6.862 40 30 JKEBRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@H]4C(C(C)C)=C[C@]3(CC[C@H]12)[C@H]1C(=O)C(Cl)=CC(=O)[C@H]41 ZINC000105366784 569852914 /nfs/dbraw/zinc/85/29/14/569852914.db2.gz RBMXOEUCEBPGAY-IPXQNMCUSA-N 0 0 459.026 5.491 40 30 JKEBRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@H]2[C@@]4(C)CC/C(=N\O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105372192 569852944 /nfs/dbraw/zinc/85/29/44/569852944.db2.gz QXSNOJKVEVATLM-PGPNGCCYSA-N 0 0 455.727 7.707 40 30 JKEBRN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)CC/C(=N\O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105372188 569852972 /nfs/dbraw/zinc/85/29/72/569852972.db2.gz QXSNOJKVEVATLM-QMOYXAIMSA-N 0 0 455.727 7.707 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000105985454 569853696 /nfs/dbraw/zinc/85/36/96/569853696.db2.gz VZVIQUCSXZEEPK-NTFVMDSBSA-N 0 0 479.001 6.304 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(OC)c1 ZINC000106107419 569853792 /nfs/dbraw/zinc/85/37/92/569853792.db2.gz UUYAKGULOGCCJN-DHRITJCHSA-N 0 0 472.408 5.008 40 30 JKEBRN CCC[C@@H]1[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)C[C@@]1(O)C#Cc1ccccc1 ZINC000106587196 569854392 /nfs/dbraw/zinc/85/43/92/569854392.db2.gz BKJQDSATKUPWJM-ATIZSFMBSA-N 0 0 455.598 5.679 40 30 JKEBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000106687793 569854640 /nfs/dbraw/zinc/85/46/40/569854640.db2.gz HORQSDQXRDYMLC-CFRMEGHHSA-N 0 0 490.968 6.036 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1 ZINC000106697943 569854760 /nfs/dbraw/zinc/85/47/60/569854760.db2.gz RXLQLYRVPJVSOG-XYGWBWBKSA-N 0 0 489.568 6.378 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000106704402 569854898 /nfs/dbraw/zinc/85/48/98/569854898.db2.gz DLTUZULMEDWPCI-ONUIUJJFSA-N 0 0 485.605 6.548 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000106704250 569854899 /nfs/dbraw/zinc/85/48/99/569854899.db2.gz KSBSMAVARRCPCJ-UNOMPAQXSA-N 0 0 472.360 5.015 40 30 JKEBRN C=CCc1cc(/C=N/NC(=S)NCC)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000107650281 569856873 /nfs/dbraw/zinc/85/68/73/569856873.db2.gz CVGFSFCMMHPZST-BRJLIKDPSA-N 0 0 452.407 5.127 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000107682984 569857055 /nfs/dbraw/zinc/85/70/55/569857055.db2.gz DXXRALKXGCNREN-UHFFFAOYSA-N 0 0 450.608 5.316 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C(C)C)nnc1-c1ccco1 ZINC000107747338 569857231 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JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2cccc(OC)c2o1 ZINC000108076076 569858550 /nfs/dbraw/zinc/85/85/50/569858550.db2.gz XECJJNDKZCRTTQ-UHFFFAOYSA-N 0 0 489.384 5.924 40 30 JKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000108231054 569859145 /nfs/dbraw/zinc/85/91/45/569859145.db2.gz XEKONYGSHZKKJG-WQRHYEAKSA-N 0 0 450.366 5.933 40 30 JKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000108234156 569859174 /nfs/dbraw/zinc/85/91/74/569859174.db2.gz KRHHRJHBSRDDSP-UHFFFAOYSA-N 0 0 478.799 5.434 40 30 JKEBRN BrC(=CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Cc1ccccc1 ZINC000108811760 569859567 /nfs/dbraw/zinc/85/95/67/569859567.db2.gz ASQFUMOSRZFVSY-HRDZTEILSA-N 0 0 486.377 6.193 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000108771830 569859615 /nfs/dbraw/zinc/85/96/15/569859615.db2.gz DZJDPVIVWUOJTC-WOJGMQOQSA-N 0 0 492.778 5.360 40 30 JKEBRN O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl)Nc1ccc(Cl)cc1 ZINC000108918368 569859855 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6.603 40 30 JKEBRN COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000113853371 569862262 /nfs/dbraw/zinc/86/22/62/569862262.db2.gz HKDGTGWHEQRSSL-VAWYXSNFSA-N 0 0 457.751 6.586 40 30 JKEBRN C=CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000113928802 569862298 /nfs/dbraw/zinc/86/22/98/569862298.db2.gz PNQFCZKLKBUOJB-SSEXGKCCSA-N 0 0 460.577 6.926 40 30 JKEBRN CC1(C)C=C(CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C\c3ccc(F)cc3)C2)C(C)(C)N1O ZINC000114897816 569862760 /nfs/dbraw/zinc/86/27/60/569862760.db2.gz PWZQFTQMMAIRRM-VOKWCDJLSA-N 0 0 464.556 5.505 40 30 JKEBRN CO/N=C(/C)[C@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913384 569862887 /nfs/dbraw/zinc/86/28/87/569862887.db2.gz HMHVRHXNTPHLFZ-HWBBKHSVSA-N 0 0 460.615 5.411 40 30 JKEBRN CCC(=O)O/N=C(\C)[C@H]1[C@H](C[N+](=O)[O-])C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913418 569862929 /nfs/dbraw/zinc/86/29/29/569862929.db2.gz 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JKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc(C)c1Br ZINC000408765078 570037807 /nfs/dbraw/zinc/03/78/07/570037807.db2.gz ZEPWZPZOZJZXQF-CHHVJCJISA-N 0 0 456.192 6.264 40 30 JKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Br)s3)S2)cc(C)c1Br ZINC000408765175 570037822 /nfs/dbraw/zinc/03/78/22/570037822.db2.gz KMDVPGUJAIBACP-GHXNOFRVSA-N 0 0 472.227 5.782 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2C)cc1 ZINC000408764863 570037845 /nfs/dbraw/zinc/03/78/45/570037845.db2.gz TXUKNAVJXRLQEJ-ITYLOYPMSA-N 0 0 457.643 6.891 40 30 JKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc(C)c1Br ZINC000408765632 570037883 /nfs/dbraw/zinc/03/78/83/570037883.db2.gz ZCOPTSYPONDJMP-DHDCSXOGSA-N 0 0 455.299 5.976 40 30 JKEBRN O=C(COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1)Nc1cccc(Cl)c1 ZINC000408765732 570037921 /nfs/dbraw/zinc/03/79/21/570037921.db2.gz XLJQKPPQAOPASN-MTJSOVHGSA-N 0 0 498.391 5.903 40 30 JKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)cc(C)c1Br ZINC000408766339 570037986 /nfs/dbraw/zinc/03/79/86/570037986.db2.gz ULCRDYBMLIFPKL-NVNXTCNLSA-N 0 0 456.192 6.264 40 30 JKEBRN COc1cc(Cl)cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c1O ZINC000408766145 570038001 /nfs/dbraw/zinc/03/80/01/570038001.db2.gz ZSFAEJFZTCOSNB-CHHVJCJISA-N 0 0 467.772 5.325 40 30 JKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000408766372 570038007 /nfs/dbraw/zinc/03/80/07/570038007.db2.gz CRNIYQKIULHZGY-PCLIKHOPSA-N 0 0 471.386 6.296 40 30 JKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Br)cc4C)NC3=O)c2C)cc1 ZINC000408766970 570038110 /nfs/dbraw/zinc/03/81/10/570038110.db2.gz XWTPDNRBWLRHOQ-UCQKPKSFSA-N 0 0 494.458 6.619 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2C)c1 ZINC000408767304 570038159 /nfs/dbraw/zinc/03/81/59/570038159.db2.gz ZBBLKXWOOMYQIH-JLPGSUDCSA-N 0 0 473.598 5.725 40 30 JKEBRN CC/N=C1\S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1CC ZINC000408768087 570038290 /nfs/dbraw/zinc/03/82/90/570038290.db2.gz BRHYIEBHTLPFQN-OFRDHETCSA-N 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C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCC#N ZINC000408781077 570041498 /nfs/dbraw/zinc/04/14/98/570041498.db2.gz RGMMFKUSDIHQMU-CBIIRDDDSA-N 0 0 484.419 5.242 40 30 JKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(I)cc1 ZINC000408781037 570041547 /nfs/dbraw/zinc/04/15/47/570041547.db2.gz QIOLVXUBOMAVSC-FMCGGJTJSA-N 0 0 493.186 6.520 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(Br)c(O)cc1O ZINC000408781945 570041911 /nfs/dbraw/zinc/04/19/11/570041911.db2.gz DOSWABYCOVWNQZ-ACAGNQJTSA-N 0 0 460.136 5.059 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(C=C3C(=O)C(C(=O)OC)=C(C)N3c3ccc(C)cc3)c2C)cc1 ZINC000408782731 570042097 /nfs/dbraw/zinc/04/20/97/570042097.db2.gz IYPRZZOINNJAPB-ONUIUJJFSA-N 0 0 470.569 5.678 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408783181 570042209 /nfs/dbraw/zinc/04/22/09/570042209.db2.gz KYXZBQSOJYZPQH-QCHPHUCNSA-N 0 0 487.419 5.022 40 30 JKEBRN C/N=C1\S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1C ZINC000408783079 570042242 /nfs/dbraw/zinc/04/22/42/570042242.db2.gz JTKQRAKZWPBCGR-OWFIJMGISA-N 0 0 471.844 5.591 40 30 JKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408784124 570042446 /nfs/dbraw/zinc/04/24/46/570042446.db2.gz SCMMGNHXLGJABI-VULFUBBASA-N 0 0 465.338 6.306 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408783759 570042499 /nfs/dbraw/zinc/04/24/99/570042499.db2.gz QPPUZXOGFFWCSF-LAUBZIAYSA-N 0 0 470.638 6.465 40 30 JKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408784371 570042607 /nfs/dbraw/zinc/04/26/07/570042607.db2.gz QRAQYIFPGHNKJL-WYMPLXKRSA-N 0 0 478.761 6.420 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408784587 570042630 /nfs/dbraw/zinc/04/26/30/570042630.db2.gz VJRBZILETWIKBX-YNMQQHPQSA-N 0 0 491.056 6.810 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408784437 570042659 /nfs/dbraw/zinc/04/26/59/570042659.db2.gz SONRESRZUUPIRP-UXHLAJHPSA-N 0 0 453.586 7.221 40 30 JKEBRN O=C(NCc1ccccc1)c1c(/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000408785200 570042766 /nfs/dbraw/zinc/04/27/66/570042766.db2.gz ZRKNHNMSXFVWOC-UZWMFBFFSA-N 0 0 480.633 6.887 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)S1 ZINC000408785184 570042784 /nfs/dbraw/zinc/04/27/84/570042784.db2.gz ZJCFKTRBMKRBPO-WQRHYEAKSA-N 0 0 466.975 6.161 40 30 JKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2c1 ZINC000408785779 570043091 /nfs/dbraw/zinc/04/30/91/570043091.db2.gz ZEUUXBBPVFIGPF-HMAPJEAMSA-N 0 0 452.963 6.182 40 30 JKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408786104 570043106 /nfs/dbraw/zinc/04/31/06/570043106.db2.gz MDOAMJHQTKKQPM-UUYOSTAYSA-N 0 0 459.287 5.666 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408786295 570043118 /nfs/dbraw/zinc/04/31/18/570043118.db2.gz OOKSKHYLVGKVTD-UQQQWYQISA-N 0 0 472.614 5.131 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408786592 570043225 /nfs/dbraw/zinc/04/32/25/570043225.db2.gz LAECPGUCUVWJMM-UQQQWYQISA-N 0 0 484.024 7.306 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408786777 570043250 /nfs/dbraw/zinc/04/32/50/570043250.db2.gz NMDOWLNHAQHSDS-QUYTYNJFSA-N 0 0 475.408 5.185 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000408787628 570043456 /nfs/dbraw/zinc/04/34/56/570043456.db2.gz CVTLCEAMEZRVAL-HHHXNRCGSA-N 0 0 474.560 5.739 40 30 JKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCc1ccccc1 ZINC000408788050 570043549 /nfs/dbraw/zinc/04/35/49/570043549.db2.gz AKGPHDBPHOTVOF-JQTKYWOZSA-N 0 0 486.637 6.165 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408788123 570043572 /nfs/dbraw/zinc/04/35/72/570043572.db2.gz ILIAMVVJEXTYSX-SANMLTNESA-N 0 0 494.978 6.084 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408787747 570043605 /nfs/dbraw/zinc/04/36/05/570043605.db2.gz FRZMZZWRWXDQNZ-AREMUKBSSA-N 0 0 478.523 5.570 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 ZINC000408790963 570043931 /nfs/dbraw/zinc/04/39/31/570043931.db2.gz SFXKWDDWUAMLSP-JOCHJYFZSA-N 0 0 490.353 5.759 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408790945 570043959 /nfs/dbraw/zinc/04/39/59/570043959.db2.gz ZLSCHEGXYRKTKZ-XMMPIXPASA-N 0 0 483.524 5.052 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408791211 570043961 /nfs/dbraw/zinc/04/39/61/570043961.db2.gz XFFCDFYDLKNXGT-WSDLNYQXSA-N 0 0 459.287 5.666 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000408791424 570043970 /nfs/dbraw/zinc/04/39/70/570043970.db2.gz XMKUBZDNXXQIHE-AREMUKBSSA-N 0 0 481.548 5.324 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c(C)n(Cc2ccc(C)cc2)c2ccccc21 ZINC000408791720 570044061 /nfs/dbraw/zinc/04/40/61/570044061.db2.gz BKYPINPTXWHCRG-NDEPHWFRSA-N 0 0 488.587 6.048 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408792603 570044098 /nfs/dbraw/zinc/04/40/98/570044098.db2.gz LJMRANQMWLZRKD-OAQYLSRUSA-N 0 0 476.872 5.250 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408792280 570044109 /nfs/dbraw/zinc/04/41/09/570044109.db2.gz AJWAIYRMLHGJLH-QHCPKHFHSA-N 0 0 458.945 5.489 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408792278 570044117 /nfs/dbraw/zinc/04/41/17/570044117.db2.gz AJWAIYRMLHGJLH-HSZRJFAPSA-N 0 0 458.945 5.489 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc([C@H]3C4=C(NC(C)=C3C(=O)OC)c3ccccc3C4=O)c2C)cc1 ZINC000408793127 570044170 /nfs/dbraw/zinc/04/41/70/570044170.db2.gz DCFJRGMMBNGPBX-RUZDIDTESA-N 0 0 496.563 5.012 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3C4=C(NC(C)=C3C(=O)OC)c3ccccc3C4=O)c2C)cc1 ZINC000408793130 570044174 /nfs/dbraw/zinc/04/41/74/570044174.db2.gz DCFJRGMMBNGPBX-VWLOTQADSA-N 0 0 496.563 5.012 40 30 JKEBRN CCOc1ccc2ccc(OCC)c([C@@H]3C4=C(NC(C)=C3C(=O)OC)c3ccccc3C4=O)c2c1 ZINC000408795806 570044372 /nfs/dbraw/zinc/04/43/72/570044372.db2.gz WGYDAONUCYEHCL-RUZDIDTESA-N 0 0 469.537 5.379 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408794755 570044389 /nfs/dbraw/zinc/04/43/89/570044389.db2.gz SVNZOOUQHWLKEV-SANMLTNESA-N 0 0 494.978 6.084 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000408796294 570044459 /nfs/dbraw/zinc/04/44/59/570044459.db2.gz OPKNNTRHULOYRM-SANMLTNESA-N 0 0 481.548 5.324 40 30 JKEBRN N#Cc1ccccc1COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408797105 570044605 /nfs/dbraw/zinc/04/46/05/570044605.db2.gz GCWFUXAXXMKVAP-MZFJOGFUSA-N 0 0 497.664 6.891 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408797613 570044682 /nfs/dbraw/zinc/04/46/82/570044682.db2.gz SCUBVPQJBLHEHH-NDEPHWFRSA-N 0 0 487.555 6.160 40 30 JKEBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)S1 ZINC000408798490 570044736 /nfs/dbraw/zinc/04/47/36/570044736.db2.gz ITHMHSHUIGNGOG-UHFFFAOYSA-N 0 0 486.573 5.226 40 30 JKEBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408798400 570044804 /nfs/dbraw/zinc/04/48/04/570044804.db2.gz IDPGTLMAVCUQTP-UHFFFAOYSA-N 0 0 460.966 5.862 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000408798163 570044819 /nfs/dbraw/zinc/04/48/19/570044819.db2.gz UXZIIJSOGRMZPA-SANMLTNESA-N 0 0 466.581 5.959 40 30 JKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000408799081 570044950 /nfs/dbraw/zinc/04/49/50/570044950.db2.gz YBHQOTUTEQGXRL-SANMLTNESA-N 0 0 460.533 5.431 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1ccccc1Cl ZINC000408800356 570045310 /nfs/dbraw/zinc/04/53/10/570045310.db2.gz OLAFNDJCRBBKGP-ROTLSHHCSA-N 0 0 461.718 6.010 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)NCCc1ccccc1 ZINC000408800861 570045527 /nfs/dbraw/zinc/04/55/27/570045527.db2.gz RNGYMADMTGGLMB-QXPFVDMISA-N 0 0 464.565 5.754 40 30 JKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408802695 570046288 /nfs/dbraw/zinc/04/62/88/570046288.db2.gz GDZULORGMUJDDF-CEUNXORHSA-N 0 0 452.510 6.256 40 30 JKEBRN CCOC(=O)COc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408804324 570046935 /nfs/dbraw/zinc/04/69/35/570046935.db2.gz XNYCFPGDHXJRAA-YUMHPJSZSA-N 0 0 468.619 5.382 40 30 JKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1cccc(Cl)c1 ZINC000408805198 570047203 /nfs/dbraw/zinc/04/72/03/570047203.db2.gz JMDHXXNFKHECRU-ROTLSHHCSA-N 0 0 461.718 6.010 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408806424 570047651 /nfs/dbraw/zinc/04/76/51/570047651.db2.gz AUEUZSLUXDHTAL-WQRHYEAKSA-N 0 0 478.795 6.076 40 30 JKEBRN Brc1ccc(-n2cccc2/C=N\c2ccc(I)cc2)cc1 ZINC000408806792 570047660 /nfs/dbraw/zinc/04/76/60/570047660.db2.gz BHLKROOWMJGACY-NDENLUEZSA-N 0 0 451.105 5.595 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(Nc2cc(Cl)ccc2OC)NC1=O ZINC000408806802 570047771 /nfs/dbraw/zinc/04/77/71/570047771.db2.gz BJCOPYLCWJYTSL-UHFFFAOYSA-N 0 0 480.791 5.439 40 30 JKEBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC#N)c(Br)c2)S1 ZINC000408806856 570047877 /nfs/dbraw/zinc/04/78/77/570047877.db2.gz NKNJHGHLAJCMHV-UHFFFAOYSA-N 0 0 463.764 5.076 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1C ZINC000408807218 570048013 /nfs/dbraw/zinc/04/80/13/570048013.db2.gz CLEFWSZPWMGTAI-STBIYBPSSA-N 0 0 493.028 6.692 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S1 ZINC000408807670 570048114 /nfs/dbraw/zinc/04/81/14/570048114.db2.gz DHLDONZUEWSUHC-CFRMEGHHSA-N 0 0 492.431 7.196 40 30 JKEBRN CCOC(=O)COc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC ZINC000408808246 570048318 /nfs/dbraw/zinc/04/83/18/570048318.db2.gz FDIJOADOTFPKBB-NTFVMDSBSA-N 0 0 498.645 5.391 40 30 JKEBRN N#Cc1ccccc1COc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408808650 570048411 /nfs/dbraw/zinc/04/84/11/570048411.db2.gz JUAFCWRFFZCHCH-MZFJOGFUSA-N 0 0 497.664 6.891 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408808697 570048420 /nfs/dbraw/zinc/04/84/20/570048420.db2.gz FELYSCKFKZMWJK-UNOMPAQXSA-N 0 0 474.376 5.431 40 30 JKEBRN C#CCOc1c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(Br)cc1OC ZINC000408809646 570048779 /nfs/dbraw/zinc/04/87/79/570048779.db2.gz IKKPYMFJRJVOAW-UHFFFAOYSA-N 0 0 492.802 5.195 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OCC)CCCC4)c2C)SC1=S ZINC000408809711 570048799 /nfs/dbraw/zinc/04/87/99/570048799.db2.gz IQHVQCDIANXFQF-UYRXBGFRSA-N 0 0 486.684 5.598 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408810640 570048947 /nfs/dbraw/zinc/04/89/47/570048947.db2.gz KHIGIVWBSBBMKQ-NHDPSOOVSA-N 0 0 489.811 7.117 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408810910 570049040 /nfs/dbraw/zinc/04/90/40/570049040.db2.gz KAUQGGYDVVSWSE-XLRCIBOUSA-N 0 0 481.641 6.906 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408810887 570049046 /nfs/dbraw/zinc/04/90/46/570049046.db2.gz KAUQGGYDVVSWSE-ALHDMABTSA-N 0 0 481.641 6.906 40 30 JKEBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/c3ccccc3)o2)Cc2ccc(Cl)cc2)cc1 ZINC000408811339 570049141 /nfs/dbraw/zinc/04/91/41/570049141.db2.gz LCTXLJSESWEZTM-OGLMXYFKSA-N 0 0 479.001 6.383 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccccc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408811796 570049257 /nfs/dbraw/zinc/04/92/57/570049257.db2.gz MWIRDLHQGVRLGP-OGLMXYFKSA-N 0 0 479.001 6.383 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408812457 570049453 /nfs/dbraw/zinc/04/94/53/570049453.db2.gz NDTCBKSTAAKLQF-UHFFFAOYSA-N 0 0 464.792 5.739 40 30 JKEBRN COc1cc(Br)cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1O ZINC000408812196 570049499 /nfs/dbraw/zinc/04/94/99/570049499.db2.gz CPPDWGLBVVVZAA-UUASQNMZSA-N 0 0 453.745 5.017 40 30 JKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc([N+](=O)[O-])c1C ZINC000408813019 570049559 /nfs/dbraw/zinc/04/95/59/570049559.db2.gz DDZFIRTWXKNSQK-FMCGGJTJSA-N 0 0 493.972 6.336 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)c1 ZINC000408813075 570049563 /nfs/dbraw/zinc/04/95/63/570049563.db2.gz DSEBJHRGJCIONZ-QFEZKATASA-N 0 0 455.558 6.337 40 30 JKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OC(C)C ZINC000408813814 570049781 /nfs/dbraw/zinc/04/97/81/570049781.db2.gz OXOSWMOSOTUBQL-YUMHPJSZSA-N 0 0 454.636 6.236 40 30 JKEBRN Clc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)c(Cl)c1 ZINC000408813612 570049786 /nfs/dbraw/zinc/04/97/86/570049786.db2.gz DJZUIUANSYJQKQ-FDAWAROLSA-N 0 0 470.403 8.169 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408814141 570049863 /nfs/dbraw/zinc/04/98/63/570049863.db2.gz QHLMIXKZUSOALK-MYYYXRDXSA-N 0 0 488.971 7.103 40 30 JKEBRN N#Cc1ccccc1Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408813877 570049864 /nfs/dbraw/zinc/04/98/64/570049864.db2.gz FTYXQPBZAQFIPO-XIFFEERXSA-N 0 0 479.583 7.388 40 30 JKEBRN COc1ccccc1/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 ZINC000408814107 570049871 /nfs/dbraw/zinc/04/98/71/570049871.db2.gz QBFFJCNSGMJYIU-OGLMXYFKSA-N 0 0 495.000 6.083 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815077 570050207 /nfs/dbraw/zinc/05/02/07/570050207.db2.gz IDWWQPAONNIKAN-UHFFFAOYSA-N 0 0 453.321 6.434 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408815033 570050251 /nfs/dbraw/zinc/05/02/51/570050251.db2.gz RHHOBBOBHGRIGX-BKUYFWCQSA-N 0 0 455.366 6.464 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408815177 570050262 /nfs/dbraw/zinc/05/02/62/570050262.db2.gz IQHBVKPAJKYXHL-MTJSOVHGSA-N 0 0 473.356 6.603 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OCC ZINC000408815384 570050368 /nfs/dbraw/zinc/05/03/68/570050368.db2.gz JGBQIBBGAGRPRH-IJNUXEFVSA-N 0 0 488.996 6.559 40 30 JKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000408816261 570050627 /nfs/dbraw/zinc/05/06/27/570050627.db2.gz LAFGYOLESXYOQF-CAQPMQTCSA-N 0 0 495.692 7.963 40 30 JKEBRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/c3ccc(F)cc3)o2)Cc2ccccc2)cc1 ZINC000408816678 570050721 /nfs/dbraw/zinc/05/07/21/570050721.db2.gz WMPPBPUXMXTNGE-OGLMXYFKSA-N 0 0 462.546 5.869 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408816526 570050722 /nfs/dbraw/zinc/05/07/22/570050722.db2.gz LSNKLFYCWXAYSG-ZDLGFXPLSA-N 0 0 461.768 5.315 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408816465 570050740 /nfs/dbraw/zinc/05/07/40/570050740.db2.gz WGDJVOUBNFBLBX-WHQHWOLESA-N 0 0 495.604 6.321 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OCC ZINC000408817374 570050891 /nfs/dbraw/zinc/05/08/91/570050891.db2.gz WEBAIGLFXAGHTD-UHFFFAOYSA-N 0 0 462.378 5.476 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408817745 570051027 /nfs/dbraw/zinc/05/10/27/570051027.db2.gz WZANCSPBGGNESZ-JLPGSUDCSA-N 0 0 472.522 6.143 40 30 JKEBRN CCOC(=O)c1c(Cl)c(C=NN=c2ccc3ccccc3[nH]2)oc1Nc1cccc(Cl)c1 ZINC000408818689 570051249 /nfs/dbraw/zinc/05/12/49/570051249.db2.gz QCNANDIYBIBNEK-LGJNPRDNSA-N 0 0 469.328 6.501 40 30 JKEBRN C#CCOc1c(OC)cc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408818760 570051251 /nfs/dbraw/zinc/05/12/51/570051251.db2.gz OSWJSCCMSDHNHZ-SANMLTNESA-N 0 0 488.381 6.296 40 30 JKEBRN N#Cc1c2c(sc1/N=C/c1c(OCc3ccc(Cl)cc3)ccc3ccccc31)CCCC2 ZINC000408818777 570051261 /nfs/dbraw/zinc/05/12/61/570051261.db2.gz OVVRSDZESCDMHD-OKCVXOCRSA-N 0 0 456.998 7.635 40 30 JKEBRN 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570057185 /nfs/dbraw/zinc/05/71/85/570057185.db2.gz XRVLDBHJSCOFDK-UFFVCSGVSA-N 0 0 496.228 5.115 40 30 JKEBRN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408860490 570057270 /nfs/dbraw/zinc/05/72/70/570057270.db2.gz WTKJEFAHHKPCSF-BVZCYNNPSA-N 0 0 458.942 6.145 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1 ZINC000408860861 570057298 /nfs/dbraw/zinc/05/72/98/570057298.db2.gz GURDMCHYMRAOEZ-RXQVSFMMSA-N 0 0 455.421 6.632 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408861474 570057420 /nfs/dbraw/zinc/05/74/20/570057420.db2.gz BDHNTBUDPKYONL-CFRMEGHHSA-N 0 0 492.528 5.424 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N([C@H]4CCCC[C@@H]4C)C3=O)cc2)c1 ZINC000408863259 570057537 /nfs/dbraw/zinc/05/75/37/570057537.db2.gz LNPTZHLGHHOKPW-KBVZJXLRSA-N 0 0 496.676 7.757 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCC(C)C ZINC000408862652 570057542 /nfs/dbraw/zinc/05/75/42/570057542.db2.gz HGIBBXOKRORVCN-UNYGCNKZSA-N 0 0 478.658 6.913 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408863209 570057546 /nfs/dbraw/zinc/05/75/46/570057546.db2.gz LYLWGUQAEOUKKB-QFEZKATASA-N 0 0 493.028 6.826 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)cc2)c1 ZINC000408863270 570057547 /nfs/dbraw/zinc/05/75/47/570057547.db2.gz LNPTZHLGHHOKPW-SNUHBVBISA-N 0 0 496.676 7.757 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O ZINC000408863048 570057568 /nfs/dbraw/zinc/05/75/68/570057568.db2.gz OOYODZXQBRTOGF-HMAPJEAMSA-N 0 0 452.963 6.182 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408863984 570057613 /nfs/dbraw/zinc/05/76/13/570057613.db2.gz SECDKVQGEHSHFW-QJJJGASVSA-N 0 0 450.604 6.277 40 30 JKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)c3ccccc32)c1 ZINC000408863770 570057623 /nfs/dbraw/zinc/05/76/23/570057623.db2.gz 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CPFGIEBWXKYVMZ-UBXRAISJSA-N 0 0 470.638 7.421 40 30 JKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 ZINC000408865629 570058079 /nfs/dbraw/zinc/05/80/79/570058079.db2.gz DGFSNQFOHJKIBR-PDGAIKOFSA-N 0 0 460.574 7.268 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000408866559 570058365 /nfs/dbraw/zinc/05/83/65/570058365.db2.gz HZRAPGXWXOXFRZ-HCORHNNISA-N 0 0 483.681 7.585 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S1 ZINC000408866948 570058375 /nfs/dbraw/zinc/05/83/75/570058375.db2.gz IOCBRCGDIYPBFY-FMCGGJTJSA-N 0 0 459.958 5.991 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408867623 570058504 /nfs/dbraw/zinc/05/85/04/570058504.db2.gz LPMOMVKTZZXFMF-UDODQRILSA-N 0 0 470.638 7.421 40 30 JKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000408867847 570058625 /nfs/dbraw/zinc/05/86/25/570058625.db2.gz KGGJBXRLCDCZNA-MOSHPQCFSA-N 0 0 472.360 5.096 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000245241896 570058641 /nfs/dbraw/zinc/05/86/41/570058641.db2.gz SUURMYYZEKZULM-VGFXYKDPSA-N 0 0 462.552 6.551 40 30 JKEBRN Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)cc2)c(C)c1 ZINC000408868619 570058898 /nfs/dbraw/zinc/05/88/98/570058898.db2.gz NDKNGDXZLGFMRL-QFEZKATASA-N 0 0 477.029 7.044 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000408869993 570059165 /nfs/dbraw/zinc/05/91/65/570059165.db2.gz UUMSPIJQLIYCOA-MYYYXRDXSA-N 0 0 472.013 6.851 40 30 JKEBRN COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408870302 570059347 /nfs/dbraw/zinc/05/93/47/570059347.db2.gz VUXTUCJOWUUNTQ-WAMJVRJTSA-N 0 0 460.574 6.924 40 30 JKEBRN C=CCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000408870256 570059374 /nfs/dbraw/zinc/05/93/74/570059374.db2.gz VSOHQKOJQRSYHI-UHFFFAOYSA-N 0 0 474.969 5.653 40 30 JKEBRN 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OHZOSSWMAOKFPC-OGLMXYFKSA-N 0 0 495.417 5.932 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1C#N ZINC000408931764 570080247 /nfs/dbraw/zinc/08/02/47/570080247.db2.gz PZROCZPVDRDORZ-UXHLAJHPSA-N 0 0 475.976 5.777 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408931621 570080281 /nfs/dbraw/zinc/08/02/81/570080281.db2.gz OATJBGWHWORFER-ZCTHSVRISA-N 0 0 486.999 6.668 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408932080 570080308 /nfs/dbraw/zinc/08/03/08/570080308.db2.gz SWDXLDMHAPUIKN-STBIYBPSSA-N 0 0 493.991 5.262 40 30 JKEBRN CC/N=C1/S/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N1CC ZINC000408932055 570080310 /nfs/dbraw/zinc/08/03/10/570080310.db2.gz SNIUAWXXYMHLLR-GAGNVJRZSA-N 0 0 466.994 5.246 40 30 JKEBRN O=C(COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl)Nc1ccc(F)cc1 ZINC000408932120 570080334 /nfs/dbraw/zinc/08/03/34/570080334.db2.gz UGYCMPCDESXCDN-LQKURTRISA-N 0 0 467.928 5.084 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1F ZINC000408931882 570080370 /nfs/dbraw/zinc/08/03/70/570080370.db2.gz RNWGZCGFKOBECD-LQKURTRISA-N 0 0 454.929 5.654 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931879 570080376 /nfs/dbraw/zinc/08/03/76/570080376.db2.gz RMIZSNPFQVDQHR-MUFRIFMGSA-N 0 0 466.368 6.031 40 30 JKEBRN CC/N=C1/S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N1CC ZINC000408932621 570080536 /nfs/dbraw/zinc/08/05/36/570080536.db2.gz YIDDMRLTDKTXLU-VCICBFQVSA-N 0 0 450.991 6.384 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N1CC ZINC000408932551 570080563 /nfs/dbraw/zinc/08/05/63/570080563.db2.gz XJAWGJMCMXCJNQ-LVKIEVKJSA-N 0 0 479.827 5.994 40 30 JKEBRN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)S/C1=N\c1ccccc1 ZINC000408932966 570080658 /nfs/dbraw/zinc/08/06/58/570080658.db2.gz GDBDDNRQRIKPFL-PIDRKRQWSA-N 0 0 480.033 6.388 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OCC)c1OCC ZINC000408934028 570080934 /nfs/dbraw/zinc/08/09/34/570080934.db2.gz KVPJXCNYEWZDHO-STZFKDTASA-N 0 0 484.549 5.027 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OCC ZINC000408934504 570080984 /nfs/dbraw/zinc/08/09/84/570080984.db2.gz BCRDUNPSRBXWOM-PNWXVDJLSA-N 0 0 473.016 7.715 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3ccccc3F)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408934582 570081008 /nfs/dbraw/zinc/08/10/08/570081008.db2.gz BJNBOHUYJRRZON-WGARJPEWSA-N 0 0 460.421 5.820 40 30 JKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408934439 570081035 /nfs/dbraw/zinc/08/10/35/570081035.db2.gz ASFCJKHQDVBXGS-VIZOYTHASA-N 0 0 481.140 5.115 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)c(C)c1 ZINC000408935187 570081137 /nfs/dbraw/zinc/08/11/37/570081137.db2.gz MVRRUOLWZVVNDQ-MXAYSNPKSA-N 0 0 486.353 5.853 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408935741 570081317 /nfs/dbraw/zinc/08/13/17/570081317.db2.gz DOUSWOVYAPVKOV-ITXBLVSESA-N 0 0 472.632 8.514 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408935743 570081330 /nfs/dbraw/zinc/08/13/30/570081330.db2.gz DOUSWOVYAPVKOV-KYSPAWQRSA-N 0 0 472.632 8.514 40 30 JKEBRN Fc1cccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cc2)c1 ZINC000408935723 570081366 /nfs/dbraw/zinc/08/13/66/570081366.db2.gz NKQRLBRQXZJOOI-PPDIBHTLSA-N 0 0 467.260 6.632 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408935903 570081410 /nfs/dbraw/zinc/08/14/10/570081410.db2.gz FCNNCQCZEJILBG-YEDSOTCOSA-N 0 0 473.016 7.633 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408935897 570081451 /nfs/dbraw/zinc/08/14/51/570081451.db2.gz FCNNCQCZEJILBG-MCYGPAAJSA-N 0 0 473.016 7.633 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408936558 570081563 /nfs/dbraw/zinc/08/15/63/570081563.db2.gz GOSYNJXIMSEYBB-DDEBHVINSA-N 0 0 483.409 7.038 40 30 JKEBRN COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408936332 570081582 /nfs/dbraw/zinc/08/15/82/570081582.db2.gz FPWBJHHDMHPXQL-FLUDHKCKSA-N 0 0 459.387 7.035 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc(OCC)c1OCC ZINC000408936638 570081641 /nfs/dbraw/zinc/08/16/41/570081641.db2.gz PLIJBNKNZREQQV-BRHJTBNZSA-N 0 0 496.629 5.472 40 30 JKEBRN Cc1cc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)ccc1I ZINC000408936876 570081667 /nfs/dbraw/zinc/08/16/67/570081667.db2.gz QCMJHCMTYWWSSJ-MSXFZWOLSA-N 0 0 454.233 6.160 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3cccc(F)c3)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408937106 570081740 /nfs/dbraw/zinc/08/17/40/570081740.db2.gz HXGSZZVRYYQYQL-WGARJPEWSA-N 0 0 460.421 5.820 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408937367 570081755 /nfs/dbraw/zinc/08/17/55/570081755.db2.gz IZZBJPWBXLVVAY-RCUHJWHVSA-N 0 0 487.441 7.815 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408937272 570081760 /nfs/dbraw/zinc/08/17/60/570081760.db2.gz NQWJVGJNAQCSLO-CFRMEGHHSA-N 0 0 454.414 5.066 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408937104 570081765 /nfs/dbraw/zinc/08/17/65/570081765.db2.gz HWWJZYCCWXQPLW-KZCOLGKUSA-N 0 0 499.452 7.899 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5C5CCCC5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252488558 570081837 /nfs/dbraw/zinc/08/18/37/570081837.db2.gz IUQOQCYGGODQPC-HFCSRYJYSA-N 0 0 476.661 6.455 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408937897 570081901 /nfs/dbraw/zinc/08/19/01/570081901.db2.gz RBZRVPKKTZGOTI-BNUIPMERSA-N 0 0 475.010 5.776 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Br)c1OCc1ccccc1F ZINC000408937930 570081920 /nfs/dbraw/zinc/08/19/20/570081920.db2.gz REYBJGVFSIMREB-NVJOKUIPSA-N 0 0 497.286 6.641 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(OC)cc1 ZINC000408937913 570081930 /nfs/dbraw/zinc/08/19/30/570081930.db2.gz RCTKDIYZHCBZHO-SHSCQTOKSA-N 0 0 452.507 5.345 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408938126 570082020 /nfs/dbraw/zinc/08/20/20/570082020.db2.gz KLAYAOBTDJNTBF-WYJNLUMOSA-N 0 0 458.989 7.330 40 30 JKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccccc1OCc1ccccc1 ZINC000408938108 570082068 /nfs/dbraw/zinc/08/20/68/570082068.db2.gz KJOFDDWMYBEJDP-YLNMYZTHSA-N 0 0 456.589 7.843 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C1=N\c1ccc(OC)cc1 ZINC000408938697 570082185 /nfs/dbraw/zinc/08/21/85/570082185.db2.gz RZAPJBBELFRKQC-SHSCQTOKSA-N 0 0 468.962 5.859 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408939137 570082202 /nfs/dbraw/zinc/08/22/02/570082202.db2.gz LTEJRLQDPGWEBR-KZIPQDMESA-N 0 0 485.027 7.881 40 30 JKEBRN Cc1ccc(COc2ccc3ccccc3c2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408939241 570082232 /nfs/dbraw/zinc/08/22/32/570082232.db2.gz MAWWEMQZPYQPQA-YSMPRRRNSA-N 0 0 456.458 5.990 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc(Br)ccc3O)cc1)N2 ZINC000408939503 570082295 /nfs/dbraw/zinc/08/22/95/570082295.db2.gz MULYZPRNEWXTIM-GOYBLYOSSA-N 0 0 459.387 7.040 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408939554 570082316 /nfs/dbraw/zinc/08/23/16/570082316.db2.gz NAFVYRKYXUEYKH-MYKKPKGFSA-N 0 0 491.287 5.843 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408940183 570082408 /nfs/dbraw/zinc/08/24/08/570082408.db2.gz NQBUPFKNYBREJY-QXZZGPAYSA-N 0 0 487.441 7.733 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@H]54)cc3)cc2)cc1 ZINC000408940261 570082411 /nfs/dbraw/zinc/08/24/11/570082411.db2.gz NRNUREUXEMTPBJ-MYYMLYGESA-N 0 0 491.034 8.496 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408940230 570082435 /nfs/dbraw/zinc/08/24/35/570082435.db2.gz NQYQLOTWNNPBMS-OSWAVSARSA-N 0 0 454.573 7.429 40 30 JKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408940179 570082443 /nfs/dbraw/zinc/08/24/43/570082443.db2.gz NQBUPFKNYBREJY-PCBVGHRDSA-N 0 0 487.441 7.733 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408940273 570082479 /nfs/dbraw/zinc/08/24/79/570082479.db2.gz NRNUREUXEMTPBJ-YSCUOVIOSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@H]5C=CC[C@@H]54)cc3)cc2)c1 ZINC000408940547 570082491 /nfs/dbraw/zinc/08/24/91/570082491.db2.gz ODWUNOREDDYOJL-YSCUOVIOSA-N 0 0 491.034 8.496 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408940624 570082538 /nfs/dbraw/zinc/08/25/38/570082538.db2.gz OIEUXSWJOKIIJI-UEWURZGNSA-N 0 0 450.582 7.146 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408940704 570082589 /nfs/dbraw/zinc/08/25/89/570082589.db2.gz OOQVQVXSNQMAEG-LCNRBEHESA-N 0 0 456.589 7.982 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cccc(F)c4)cc3)cc1)N2 ZINC000408941249 570082643 /nfs/dbraw/zinc/08/26/43/570082643.db2.gz OZZGYHRZQIPBTC-XNQIOBIHSA-N 0 0 488.606 8.290 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408941241 570082665 /nfs/dbraw/zinc/08/26/65/570082665.db2.gz OZSGJENFUYXSDO-VZWHRFCTSA-N 0 0 473.016 7.633 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408942214 570082747 /nfs/dbraw/zinc/08/27/47/570082747.db2.gz YFHBRGJMKLLKQO-PNLYLYDTSA-N 0 0 452.598 7.370 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408941886 570082781 /nfs/dbraw/zinc/08/27/81/570082781.db2.gz PZQGTWAQIDPGRI-WGARJPEWSA-N 0 0 476.876 6.335 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408942403 570082882 /nfs/dbraw/zinc/08/28/82/570082882.db2.gz QPVJMWIHCLXVQR-MYKKPKGFSA-N 0 0 474.832 5.329 40 30 JKEBRN Cc1cc(C)cc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@@H]54)cc3)cc2)c1 ZINC000408942407 570082928 /nfs/dbraw/zinc/08/29/28/570082928.db2.gz QQHSTRMMVZYFDK-KWOVBWBXSA-N 0 0 484.643 8.460 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408942442 570082930 /nfs/dbraw/zinc/08/29/30/570082930.db2.gz QUJPVVAXNUBNKL-MZUPMHKCSA-N 0 0 470.616 8.151 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408943079 570083032 /nfs/dbraw/zinc/08/30/32/570083032.db2.gz RNVIWGCJJDXVHS-WKSIQMIZSA-N 0 0 473.414 7.425 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3)cc1)N2 ZINC000408942954 570083074 /nfs/dbraw/zinc/08/30/74/570083074.db2.gz RGEOORQPUFFWFK-XXKJQVLCSA-N 0 0 470.616 8.151 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccccc4F)cc3)cc1)N2 ZINC000408943925 570083181 /nfs/dbraw/zinc/08/31/81/570083181.db2.gz SSOHQHQGMWPGAI-VFFOLYJSSA-N 0 0 488.606 8.290 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccccc4F)cc3)cc1)N2 ZINC000408943921 570083186 /nfs/dbraw/zinc/08/31/86/570083186.db2.gz SSOHQHQGMWPGAI-FEHZXGKMSA-N 0 0 488.606 8.290 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1cc(C)cc(C)c1 ZINC000408943976 570083189 /nfs/dbraw/zinc/08/31/89/570083189.db2.gz SYFHXEGWIFEFHK-CFRMEGHHSA-N 0 0 450.451 5.153 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)S/C1=N\c1ccccc1 ZINC000408944005 570083192 /nfs/dbraw/zinc/08/31/92/570083192.db2.gz ZXYORBAPAPBVPW-OQJTVLEQSA-N 0 0 487.669 6.858 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408944381 570083267 /nfs/dbraw/zinc/08/32/67/570083267.db2.gz UOQPWXTZRXEUBQ-ROTLSHHCSA-N 0 0 488.859 5.719 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000408944751 570083286 /nfs/dbraw/zinc/08/32/86/570083286.db2.gz UZFSSLKUBXILCB-KSEXSDGBSA-N 0 0 489.257 5.430 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408945108 570083290 /nfs/dbraw/zinc/08/32/90/570083290.db2.gz VWNQKHISZIQCTR-VCFQAFBRSA-N 0 0 468.984 6.938 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408944805 570083293 /nfs/dbraw/zinc/08/32/93/570083293.db2.gz VIHNHVRNPDITRL-PTQFAUSOSA-N 0 0 485.027 7.799 40 30 JKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)cc1)N2 ZINC000408944691 570083310 /nfs/dbraw/zinc/08/33/10/570083310.db2.gz URIVKCOENDMKQE-TWFPVSKMSA-N 0 0 498.670 8.768 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408944236 570083311 /nfs/dbraw/zinc/08/33/11/570083311.db2.gz UCQNVMMHURIODE-SKVPBMTMSA-N 0 0 459.387 7.035 40 30 JKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408945516 570083398 /nfs/dbraw/zinc/08/33/98/570083398.db2.gz WOVQQUAMLNTWBS-LCFXPADGSA-N 0 0 474.579 7.982 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408945552 570083403 /nfs/dbraw/zinc/08/34/03/570083403.db2.gz WPYACYNGMXSDFF-UNSBUYSJSA-N 0 0 458.989 7.324 40 30 JKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408945435 570083419 /nfs/dbraw/zinc/08/34/19/570083419.db2.gz WLLXKGUGWOIQRD-PAZDFVAHSA-N 0 0 470.616 8.290 40 30 JKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408945550 570083428 /nfs/dbraw/zinc/08/34/28/570083428.db2.gz WPYACYNGMXSDFF-SMZIXXOUSA-N 0 0 458.989 7.324 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000408945946 570083536 /nfs/dbraw/zinc/08/35/36/570083536.db2.gz XTBZARDEBWHIFL-KSEXSDGBSA-N 0 0 461.261 5.835 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408946162 570083557 /nfs/dbraw/zinc/08/35/57/570083557.db2.gz YIFBDVXUDGVOSU-HZUBOICTSA-N 0 0 471.000 7.491 40 30 JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408947208 570083611 /nfs/dbraw/zinc/08/36/11/570083611.db2.gz ZWERVDVBTOLFJG-ROTLSHHCSA-N 0 0 488.859 5.719 40 30 JKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408946765 570083630 /nfs/dbraw/zinc/08/36/30/570083630.db2.gz ZGBMYBCRGMEUSG-JZUREXBKSA-N 0 0 452.985 7.238 40 30 JKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408946759 570083655 /nfs/dbraw/zinc/08/36/55/570083655.db2.gz ZGBMYBCRGMEUSG-GJGHUJBWSA-N 0 0 452.985 7.238 40 30 JKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c(C#N)c1C ZINC000408949144 570083707 /nfs/dbraw/zinc/08/37/07/570083707.db2.gz DVNORCYEXHDZEI-OPEKNORGSA-N 0 0 488.179 6.623 40 30 JKEBRN O=C(Oc1cccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1)c1ccccc1F ZINC000408949689 570083835 /nfs/dbraw/zinc/08/38/35/570083835.db2.gz FWALZRITCXUJHX-BIZUNTBRSA-N 0 0 495.941 7.302 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)S2)cc1 ZINC000408949236 570083874 /nfs/dbraw/zinc/08/38/74/570083874.db2.gz AENKEHUQBBYOJJ-BUVRLJJBSA-N 0 0 489.597 5.479 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(OC)cc1 ZINC000408949595 570083892 /nfs/dbraw/zinc/08/38/92/570083892.db2.gz BMBNOKUWOUSINY-FMVWKBIMSA-N 0 0 486.185 5.437 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OCC)cc4)NC3=O)c2C)cc1 ZINC000408949267 570083900 /nfs/dbraw/zinc/08/39/00/570083900.db2.gz AKDNFCHAORKWAX-NLRVBDNBSA-N 0 0 473.642 6.727 40 30 JKEBRN CN(C)c1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cc1 ZINC000408950846 570084092 /nfs/dbraw/zinc/08/40/92/570084092.db2.gz GNEDWMWXGXGAQJ-FMVWKBIMSA-N 0 0 485.201 5.104 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)S2)cc1 ZINC000408950839 570084129 /nfs/dbraw/zinc/08/41/29/570084129.db2.gz GMUDDNRXAXFCJQ-OVVQPSECSA-N 0 0 480.589 6.709 40 30 JKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc2ncccc2c1 ZINC000408950970 570084135 /nfs/dbraw/zinc/08/41/35/570084135.db2.gz HBUVFJJGSUZFLW-PRZRADHTSA-N 0 0 493.180 5.587 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)cc1 ZINC000408951288 570084227 /nfs/dbraw/zinc/08/42/27/570084227.db2.gz IOGPPEJLUHGXQQ-OMSSWJLUSA-N 0 0 468.376 5.482 40 30 JKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408951215 570084260 /nfs/dbraw/zinc/08/42/60/570084260.db2.gz IAPKAGZCDYSAPM-RPPGKUMJSA-N 0 0 498.333 6.167 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(N4CCCCC4)cc3)N(C)C2=O)cc1 ZINC000408952778 570084312 /nfs/dbraw/zinc/08/43/12/570084312.db2.gz MSQHTPUHABXYBM-PAPBZEPUSA-N 0 0 472.614 5.710 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)S2)cc1 ZINC000408952226 570084350 /nfs/dbraw/zinc/08/43/50/570084350.db2.gz LMVDZBCYOWBRNR-YDZHTSKRSA-N 0 0 499.419 6.863 40 30 JKEBRN Clc1cc(/N=C/c2cc(Br)c(I)o2)ccc1Br ZINC000408953075 570084438 /nfs/dbraw/zinc/08/44/38/570084438.db2.gz OGXAQDIIOXCSNN-FZSIALSZSA-N 0 0 489.332 5.813 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)S2)cc1 ZINC000408953387 570084441 /nfs/dbraw/zinc/08/44/41/570084441.db2.gz PDYGRWKJRLZQNG-YZSQISJMSA-N 0 0 488.609 6.263 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)S2)cc1 ZINC000408953012 570084463 /nfs/dbraw/zinc/08/44/63/570084463.db2.gz NVXRLPKDIJULKO-CPNJWEJPSA-N 0 0 491.407 5.537 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3C#N)S2)cc1 ZINC000408953095 570084468 /nfs/dbraw/zinc/08/44/68/570084468.db2.gz OJJKSRCIRXXJBJ-BUVRLJJBSA-N 0 0 455.539 5.428 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(Br)c3)S2)cc1 ZINC000408953053 570084470 /nfs/dbraw/zinc/08/44/70/570084470.db2.gz OCTYMHCDAFYXPU-ZXOFLVKFSA-N 0 0 475.408 5.917 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000408954199 570084583 /nfs/dbraw/zinc/08/45/83/570084583.db2.gz RTYHIBWTRQQZEO-SIFMURAYSA-N 0 0 455.539 5.883 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)S2)cc1 ZINC000408953959 570084584 /nfs/dbraw/zinc/08/45/84/570084584.db2.gz QZUBRBYIZARFIU-OVVQPSECSA-N 0 0 480.589 6.709 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)S2)cc1 ZINC000408953518 570084596 /nfs/dbraw/zinc/08/45/96/570084596.db2.gz QEOUEHDDPHUIMD-HYARGMPZSA-N 0 0 499.419 6.863 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)c(Br)o2)S1 ZINC000408954197 570084603 /nfs/dbraw/zinc/08/46/03/570084603.db2.gz RTUMDOKBBFBKEI-SDQBBNPISA-N 0 0 476.577 5.658 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)S2)cc1 ZINC000408955094 570084687 /nfs/dbraw/zinc/08/46/87/570084687.db2.gz WBTGRVJUDVTWCC-MFKUBSTISA-N 0 0 485.565 5.436 40 30 JKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(Cl)cc1 ZINC000408954608 570084708 /nfs/dbraw/zinc/08/47/08/570084708.db2.gz UAGMZYFUMWDKHC-AQINLTQESA-N 0 0 476.577 5.692 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cc1 ZINC000408955448 570084827 /nfs/dbraw/zinc/08/48/27/570084827.db2.gz XHUYRXFYVVULBF-STBHAXGISA-N 0 0 472.158 5.047 40 30 JKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1C ZINC000408955467 570084837 /nfs/dbraw/zinc/08/48/37/570084837.db2.gz XIRVBTDWPLWADW-FWAMYBDSSA-N 0 0 470.186 5.655 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408959616 570085260 /nfs/dbraw/zinc/08/52/60/570085260.db2.gz BZULDDDAXFOLAI-MMKHHPBPSA-N 0 0 459.619 5.233 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1C ZINC000408960205 570085487 /nfs/dbraw/zinc/08/54/87/570085487.db2.gz JNONVNQNHLGBJG-HMAPJEAMSA-N 0 0 450.007 6.510 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1F ZINC000408960198 570085502 /nfs/dbraw/zinc/08/55/02/570085502.db2.gz DLHKIXHXYKRHOW-ZVHZXABRSA-N 0 0 459.521 6.168 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408960149 570085514 /nfs/dbraw/zinc/08/55/14/570085514.db2.gz CMTSYPLMFZKBBS-YDZHTSKRSA-N 0 0 489.984 5.999 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408959997 570085566 /nfs/dbraw/zinc/08/55/66/570085566.db2.gz BPMZSVIFQOSGAT-LPYMAVHISA-N 0 0 482.964 6.267 40 30 JKEBRN CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000408960384 570085645 /nfs/dbraw/zinc/08/56/45/570085645.db2.gz FKXOSXQALNABHN-RIYZIHGNSA-N 0 0 462.185 6.591 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)S2)cc1 ZINC000408960453 570085668 /nfs/dbraw/zinc/08/56/68/570085668.db2.gz FVYCOIHOKHDTBC-SRZZPIQSSA-N 0 0 472.397 6.301 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408960709 570085714 /nfs/dbraw/zinc/08/57/14/570085714.db2.gz HVJQDJUVRJQQKU-GZTJUZNOSA-N 0 0 475.364 6.224 40 30 JKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408960654 570085738 /nfs/dbraw/zinc/08/57/38/570085738.db2.gz NLUNMAPNGDWLEM-OIBHPTRJSA-N 0 0 456.409 5.673 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)S2)cc1 ZINC000408960927 570085831 /nfs/dbraw/zinc/08/58/31/570085831.db2.gz JOIHELKDVWKTOS-MFKUBSTISA-N 0 0 488.012 6.552 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1C ZINC000408960882 570085870 /nfs/dbraw/zinc/08/58/70/570085870.db2.gz PEQPTDIZPIGPJG-HMAPJEAMSA-N 0 0 494.458 6.619 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccccc4C#N)ccc4ccccc43)S2)cc1 ZINC000408960999 570085875 /nfs/dbraw/zinc/08/58/75/570085875.db2.gz KVUGLUZWPDUCOJ-JVWAILMASA-N 0 0 491.572 6.191 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1O[C@H](C)CC ZINC000408960985 570085895 /nfs/dbraw/zinc/08/58/95/570085895.db2.gz KUBOPHSMWPEAID-GNUZOCDUSA-N 0 0 460.983 5.816 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000408961446 570086080 /nfs/dbraw/zinc/08/60/80/570086080.db2.gz CHGKIDUMNQMMFA-VXLYETTFSA-N 0 0 460.361 6.432 40 30 JKEBRN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408961765 570086103 /nfs/dbraw/zinc/08/61/03/570086103.db2.gz DVOOTPSTADIPCS-HZHRSRAPSA-N 0 0 487.581 5.221 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc4c(c3)OCO4)N(C)C2=O)c1C ZINC000408961612 570086134 /nfs/dbraw/zinc/08/61/34/570086134.db2.gz SYNGXCBWVFYECB-DKQZVYDOSA-N 0 0 473.598 5.927 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408961915 570086212 /nfs/dbraw/zinc/08/62/12/570086212.db2.gz VMVXLNVFMVZUPF-YRPBSLEHSA-N 0 0 499.684 6.158 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)S2)cc1 ZINC000408962061 570086236 /nfs/dbraw/zinc/08/62/36/570086236.db2.gz PLGUTXNFRUFXPV-MFKUBSTISA-N 0 0 496.592 5.489 40 30 JKEBRN CCCCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)SC1=Nc1ccccc1 ZINC000408961996 570086256 /nfs/dbraw/zinc/08/62/56/570086256.db2.gz WSQZLRATPPIJLI-ZSBARMHISA-N 0 0 471.670 7.369 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)SC2=Nc2ccccc2)cc1 ZINC000408962466 570086338 /nfs/dbraw/zinc/08/63/38/570086338.db2.gz YKJRIBRQLBEXBX-YOWFULMBSA-N 0 0 483.637 6.490 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)cc1[N+](=O)[O-] ZINC000408962141 570086375 /nfs/dbraw/zinc/08/63/75/570086375.db2.gz QFXNAGRCEKCBGT-VCHYOVAHSA-N 0 0 474.325 6.362 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000408962489 570086401 /nfs/dbraw/zinc/08/64/01/570086401.db2.gz YOOVAVREHGCSRB-SIFMURAYSA-N 0 0 459.571 5.693 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)S2)cc1 ZINC000408962140 570086427 /nfs/dbraw/zinc/08/64/27/570086427.db2.gz GXTBSZHUERFGRP-HYARGMPZSA-N 0 0 461.518 5.043 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408962143 570086435 /nfs/dbraw/zinc/08/64/35/570086435.db2.gz QHLMIXKZUSOALK-MFKUBSTISA-N 0 0 488.971 7.103 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1CCCc1ccccc1 ZINC000408962507 570086458 /nfs/dbraw/zinc/08/64/58/570086458.db2.gz YQTFKLXPDOBZIL-NDFXULMZSA-N 0 0 467.638 6.524 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)S2)cc1 ZINC000408963211 570086613 /nfs/dbraw/zinc/08/66/13/570086613.db2.gz XXYVKDFYCYUCJX-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408962940 570086651 /nfs/dbraw/zinc/08/66/51/570086651.db2.gz LGFNDDYCBLEUAV-YBFXNURJSA-N 0 0 461.381 5.447 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000408963178 570086671 /nfs/dbraw/zinc/08/66/71/570086671.db2.gz AMYQYBWSABKVIU-YBFXNURJSA-N 0 0 458.370 5.998 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC ZINC000408963625 570086732 /nfs/dbraw/zinc/08/67/32/570086732.db2.gz HUSHDKFJTANXBS-MTDXEUNCSA-N 0 0 462.615 6.817 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408963422 570086767 /nfs/dbraw/zinc/08/67/67/570086767.db2.gz BOMIPJRCIAYUOJ-LPYMAVHISA-N 0 0 497.389 6.367 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1O[C@H](C)CC ZINC000408963611 570086787 /nfs/dbraw/zinc/08/67/87/570086787.db2.gz CTAJTXOZBOGSJM-OOWUWCJESA-N 0 0 489.435 6.225 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408963719 570086803 /nfs/dbraw/zinc/08/68/03/570086803.db2.gz ORZUYZHSOMQBQK-HYARGMPZSA-N 0 0 461.499 5.074 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(-c4cc5ccccc5o4)cc3)c2C)c1 ZINC000408964267 570086944 /nfs/dbraw/zinc/08/69/44/570086944.db2.gz COJOMXGPDJMKSI-ZCTHSVRISA-N 0 0 462.549 7.435 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1 ZINC000408964443 570086968 /nfs/dbraw/zinc/08/69/68/570086968.db2.gz GYCXCTWZZXSKFM-ZVHZXABRSA-N 0 0 468.538 5.798 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccccc1F ZINC000408964908 570087084 /nfs/dbraw/zinc/08/70/84/570087084.db2.gz ILZLQBSSHRKAPD-MFKUBSTISA-N 0 0 455.558 6.337 40 30 JKEBRN CC(C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000408964933 570087115 /nfs/dbraw/zinc/08/71/15/570087115.db2.gz IPFNOBHHHVAXHM-CXUHLZMHSA-N 0 0 486.218 6.435 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCCOC)C2=O)c1C ZINC000408965011 570087128 /nfs/dbraw/zinc/08/71/28/570087128.db2.gz FIVRFQFAONUBSG-NMSBTPMHSA-N 0 0 473.642 6.297 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)S2)cc1 ZINC000408965264 570087209 /nfs/dbraw/zinc/08/72/09/570087209.db2.gz JRQLSPTUSWWEHA-LPYMAVHISA-N 0 0 451.979 5.956 40 30 JKEBRN Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965879 570087439 /nfs/dbraw/zinc/08/74/39/570087439.db2.gz JPFVZYGCEUPTGI-VEILYXNESA-N 0 0 459.615 5.857 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966120 570087498 /nfs/dbraw/zinc/08/74/98/570087498.db2.gz KALZUJCRZWCQHR-CIYPEPIYSA-N 0 0 486.685 6.691 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)c1 ZINC000408966144 570087532 /nfs/dbraw/zinc/08/75/32/570087532.db2.gz KCQKBNYUBPZGFA-XKZIYDEJSA-N 0 0 479.989 5.816 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)S2)cc1 ZINC000408966489 570087605 /nfs/dbraw/zinc/08/76/05/570087605.db2.gz OTLRPVVCHDWQJR-YBFXNURJSA-N 0 0 473.779 6.563 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)cc1 ZINC000408966598 570087636 /nfs/dbraw/zinc/08/76/36/570087636.db2.gz PKCGCBZGYWHWRM-WGOQTCKBSA-N 0 0 485.008 7.272 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408966451 570087645 /nfs/dbraw/zinc/08/76/45/570087645.db2.gz OMXSMPSMTPHDIX-YZSQISJMSA-N 0 0 484.621 6.511 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)S2)cc1 ZINC000408966811 570087728 /nfs/dbraw/zinc/08/77/28/570087728.db2.gz QQTSXCUKGAONJW-PCLIKHOPSA-N 0 0 453.567 6.148 40 30 JKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)SC1=Nc1ccccc1 ZINC000408967004 570087750 /nfs/dbraw/zinc/08/77/50/570087750.db2.gz PDZZTZLMACZIIG-FZFZTRJPSA-N 0 0 487.625 6.285 40 30 JKEBRN Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c3ccccc32)cc1 ZINC000408966851 570087765 /nfs/dbraw/zinc/08/77/65/570087765.db2.gz QWDUOOMVBFQAQI-ZVHZXABRSA-N 0 0 484.556 5.619 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)S2)cc1 ZINC000408967006 570087768 /nfs/dbraw/zinc/08/77/68/570087768.db2.gz RNLBVRNZSDGOCZ-ZVHZXABRSA-N 0 0 473.985 6.243 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=Nc1ccccc1 ZINC000408966980 570087771 /nfs/dbraw/zinc/08/77/71/570087771.db2.gz ONNPKQRQRKXZCA-KCZILUFYSA-N 0 0 487.669 6.642 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408966995 570087776 /nfs/dbraw/zinc/08/77/76/570087776.db2.gz RMFHJFSJJSULGL-PCLIKHOPSA-N 0 0 458.583 6.173 40 30 JKEBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)c1 ZINC000408967270 570087864 /nfs/dbraw/zinc/08/78/64/570087864.db2.gz UFMQPPNWKGUJDW-YBFXNURJSA-N 0 0 487.364 6.240 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967282 570087888 /nfs/dbraw/zinc/08/78/88/570087888.db2.gz PSVIRKOAIGYFIZ-IXZAZWRHSA-N 0 0 494.664 7.174 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000408967624 570087970 /nfs/dbraw/zinc/08/79/70/570087970.db2.gz WFIZVACUYANRRB-GIDUJCDVSA-N 0 0 467.175 6.129 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967621 570088029 /nfs/dbraw/zinc/08/80/29/570088029.db2.gz RHBZNVPXBPFQFS-KEIPNQJHSA-N 0 0 464.697 8.610 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)c2C)c1 ZINC000408967770 570088119 /nfs/dbraw/zinc/08/81/19/570088119.db2.gz RZZNHXFNJZXUPR-QRVIBDJDSA-N 0 0 494.016 6.124 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968237 570088218 /nfs/dbraw/zinc/08/82/18/570088218.db2.gz UXLWHWJNKQCYFB-VBGBYYPASA-N 0 0 485.697 7.551 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2C)c1 ZINC000408968376 570088253 /nfs/dbraw/zinc/08/82/53/570088253.db2.gz WDRDSXKZJYQETN-HAHDFKILSA-N 0 0 459.571 5.471 40 30 JKEBRN CCCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408969329 570088338 /nfs/dbraw/zinc/08/83/38/570088338.db2.gz LXBGCJWNRAHOLZ-ZTKZIYFRSA-N 0 0 460.643 7.589 40 30 JKEBRN N#Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408969095 570088347 /nfs/dbraw/zinc/08/83/47/570088347.db2.gz HILYUAJHLBYUTO-BKUYFWCQSA-N 0 0 481.861 6.139 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)c1 ZINC000408968861 570088390 /nfs/dbraw/zinc/08/83/90/570088390.db2.gz ZTYOEJDQYRAKPW-OYKKKHCWSA-N 0 0 472.326 5.626 40 30 JKEBRN CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cccc1OC ZINC000408969975 570088608 /nfs/dbraw/zinc/08/86/08/570088608.db2.gz YDLBWPKUUHBKJO-MTDXEUNCSA-N 0 0 462.615 6.817 40 30 JKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(C(C)(C)C)cc3)sc3c2CCCCCC3)c1 ZINC000408970237 570088626 /nfs/dbraw/zinc/08/86/26/570088626.db2.gz DEFCSXJQWCWGLQ-ZCTHSVRISA-N 0 0 472.698 8.324 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000408970730 570088725 /nfs/dbraw/zinc/08/87/25/570088725.db2.gz CRDLURBOAABUMI-JFLMPSFJSA-N 0 0 457.426 7.717 40 30 JKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1C(C)C ZINC000408971804 570088825 /nfs/dbraw/zinc/08/88/25/570088825.db2.gz LLGVWMMYBBKRDD-UXHLAJHPSA-N 0 0 474.670 7.850 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC(C)C ZINC000408971413 570088855 /nfs/dbraw/zinc/08/88/55/570088855.db2.gz OAWFMZXSZBWCHL-NDZAJKAJSA-N 0 0 490.669 7.596 40 30 JKEBRN NC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408972221 570088912 /nfs/dbraw/zinc/08/89/12/570088912.db2.gz NSSBDXOVLCRMMI-LQKURTRISA-N 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/nfs/dbraw/zinc/10/18/30/570101830.db2.gz SSIFNQUUFUXLFO-RDRPBHBLSA-N 0 0 459.659 7.093 40 30 JKEBRN O=C1/C(=C/c2cccn2-c2ccc(O)cc2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000409018003 570101949 /nfs/dbraw/zinc/10/19/49/570101949.db2.gz OWJMDEJWIYAAOZ-VTJSNHOUSA-N 0 0 465.578 6.030 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409018748 570102284 /nfs/dbraw/zinc/10/22/84/570102284.db2.gz YYZZDPOBCSWAAM-HPGAWOKTSA-N 0 0 481.799 5.744 40 30 JKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1C(C)C ZINC000409018912 570102332 /nfs/dbraw/zinc/10/23/32/570102332.db2.gz WVKGOTSYAYHRCS-OCSSWDANSA-N 0 0 460.643 6.748 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccccc1 ZINC000409019049 570102424 /nfs/dbraw/zinc/10/24/24/570102424.db2.gz XYBCTPZOVBBIFW-QWKKMKHHSA-N 0 0 482.403 5.490 40 30 JKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2cc(Cl)ccc2OC(C)C)CCCC3)cc1 ZINC000409019093 570102455 /nfs/dbraw/zinc/10/24/55/570102455.db2.gz YEKIOSPUVXUHKE-RWPZCVJISA-N 0 0 467.034 7.379 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Cl ZINC000409019003 570102457 /nfs/dbraw/zinc/10/24/57/570102457.db2.gz ZZHPCHITRPNEHO-RGVUVNHFSA-N 0 0 455.794 6.716 40 30 JKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1C(C)C ZINC000409019508 570102565 /nfs/dbraw/zinc/10/25/65/570102565.db2.gz TWZGCCPNQVHGQS-LQKURTRISA-N 0 0 452.664 6.880 40 30 JKEBRN CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1 ZINC000409019801 570102667 /nfs/dbraw/zinc/10/26/67/570102667.db2.gz XIJPOTFLGWWDQH-UXHLAJHPSA-N 0 0 488.653 7.204 40 30 JKEBRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2 ZINC000409020210 570102697 /nfs/dbraw/zinc/10/26/97/570102697.db2.gz ZVJHPVPEHOUFLH-OCSSWDANSA-N 0 0 469.654 7.817 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1[N+](=O)[O-] ZINC000409020219 570102757 /nfs/dbraw/zinc/10/27/57/570102757.db2.gz ZZKRECBMFAOAEX-LQKURTRISA-N 0 0 491.613 6.944 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1OC ZINC000409020724 570102831 /nfs/dbraw/zinc/10/28/31/570102831.db2.gz SMJDNPKVHXYRIQ-NGIYOEEDSA-N 0 0 493.810 5.910 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409020940 570102892 /nfs/dbraw/zinc/10/28/92/570102892.db2.gz WBHMIDFHMZNCME-BDFKGGEMSA-N 0 0 486.033 6.881 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)ccc1OC ZINC000409021087 570103039 /nfs/dbraw/zinc/10/30/39/570103039.db2.gz XSIIHHRBRKMKHK-NGIYOEEDSA-N 0 0 477.811 6.073 40 30 JKEBRN O=S(=O)(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 ZINC000409022642 570103394 /nfs/dbraw/zinc/10/33/94/570103394.db2.gz FDBQFFJNKDTHIM-UCQKPKSFSA-N 0 0 459.017 6.018 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409022916 570103517 /nfs/dbraw/zinc/10/35/17/570103517.db2.gz IALAYVSNVWLWKQ-HYARGMPZSA-N 0 0 482.558 5.746 40 30 JKEBRN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(-c3ccccc3)s1)C2=O ZINC000253536541 570103530 /nfs/dbraw/zinc/10/35/30/570103530.db2.gz VGZYSFLMWKRVEA-QJYBVNDXSA-N 0 0 458.667 7.301 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccc6ccccc6c5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253536041 570103542 /nfs/dbraw/zinc/10/35/42/570103542.db2.gz DZYXGWASXRYMFK-KBMRDGIGSA-N 0 0 468.637 7.297 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5-c5ccccc5)C(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253536402 570103570 /nfs/dbraw/zinc/10/35/70/570103570.db2.gz PGGFCLMQRKOKDA-WPCWSIKWSA-N 0 0 484.640 6.329 40 30 JKEBRN O=C(O/N=C1/c2ccccc2/C(=N\OC(=O)c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000253576930 570103875 /nfs/dbraw/zinc/10/38/75/570103875.db2.gz WLHQZKSEQYDBLH-PRHSQSLTSA-N 0 0 460.489 5.606 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409024654 570103981 /nfs/dbraw/zinc/10/39/81/570103981.db2.gz MJVNLGQJDKLGDT-UVHMKAGCSA-N 0 0 498.391 6.791 40 30 JKEBRN Cc1cccc(N=C[C@@]23c4ccc(cc4)[C@@H](c4ccccc42)[C@@H]2C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]23)c1 ZINC000253578980 570103985 /nfs/dbraw/zinc/10/39/85/570103985.db2.gz ZAHWSEVUFOZRMG-ITJHCTFUSA-N 0 0 496.610 6.565 40 30 JKEBRN Cc1cccc(C(=O)Oc2ccc(CN=Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)c1 ZINC000409025349 570104204 /nfs/dbraw/zinc/10/42/04/570104204.db2.gz ULKYEBCZSIPWPH-AFUMVMLFSA-N 0 0 458.499 5.692 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000409026210 570104508 /nfs/dbraw/zinc/10/45/08/570104508.db2.gz JCKLHOMVHMIZJX-JFLMPSFJSA-N 0 0 477.973 6.527 40 30 JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C#Cc4ccccc4)OC(C)=O)[C@H]3CC[C@H]2C1 ZINC000253612291 570104678 /nfs/dbraw/zinc/10/46/78/570104678.db2.gz GUVMUMWXSXVALS-IPSYOKLFSA-N 0 0 476.657 6.314 40 30 JKEBRN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccnc2ccc(OC)cc21 ZINC000253612079 570104740 /nfs/dbraw/zinc/10/47/40/570104740.db2.gz NSNOOXWSDJFPSY-JWVBXVKDSA-N 0 0 486.656 5.941 40 30 JKEBRN CC1=NOC(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409027108 570104814 /nfs/dbraw/zinc/10/48/14/570104814.db2.gz ZPYUGKYARXBCPN-OVCLIPMQSA-N 0 0 451.114 5.107 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@](C#Cc5ccccc5)(OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253617112 570105092 /nfs/dbraw/zinc/10/50/92/570105092.db2.gz HPWYYZWSCXJYCP-MGNIEWOISA-N 0 0 476.657 6.314 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(O)=C(C(=O)c5ccccc5)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253617470 570105147 /nfs/dbraw/zinc/10/51/47/570105147.db2.gz OGQSCKVJUCZPJK-HWDNEGQTSA-N 0 0 490.772 9.256 40 30 JKEBRN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccccc3)C5=O)c(=O)[nH]c2c1 ZINC000253623623 570105243 /nfs/dbraw/zinc/10/52/43/570105243.db2.gz BSKBLMFVTCVOMR-XLHYMUBZSA-N 0 0 465.461 5.006 40 30 JKEBRN N#Cc1ccc(COc2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc2Br)cc1 ZINC000409029976 570105626 /nfs/dbraw/zinc/10/56/26/570105626.db2.gz BCUWPVGTGSRPBQ-HIUVJMHLSA-N 0 0 498.196 5.614 40 30 JKEBRN COc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(Cl)c1 ZINC000409030118 570105629 /nfs/dbraw/zinc/10/56/29/570105629.db2.gz CAXKLNQSGVEQKY-OXUBWTJQSA-N 0 0 458.761 5.642 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccccc2C#N)c1 ZINC000409030001 570105640 /nfs/dbraw/zinc/10/56/40/570105640.db2.gz BKDGEZLNEXKRKP-ZDLGFXPLSA-N 0 0 483.396 5.639 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCc1ccccc1 ZINC000254483935 570105714 /nfs/dbraw/zinc/10/57/14/570105714.db2.gz WPQKMAWYKDSBAX-MLICQULGSA-N 0 0 462.630 5.880 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409030478 570105752 /nfs/dbraw/zinc/10/57/52/570105752.db2.gz DMDKJGISTCJNKF-DANHRZQXSA-N 0 0 486.815 6.340 40 30 JKEBRN Cc1c(/C=C2/C(=O)N(c3c(F)c(F)c(C(F)(F)F)c(F)c3F)N=C2C)c2cc(C)ccc2n1C ZINC000409030962 570105831 /nfs/dbraw/zinc/10/58/31/570105831.db2.gz FWEICFVAHFZEBU-XYOKQWHBSA-N 0 0 483.387 6.176 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OCC)c1OCc1ccccc1F ZINC000409031278 570105842 /nfs/dbraw/zinc/10/58/42/570105842.db2.gz AHCMWXMGHQSOKX-HCNMGLPWSA-N 0 0 496.398 6.246 40 30 JKEBRN CCN(CC)c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(OCc2ccccc2)c1 ZINC000409031502 570105879 /nfs/dbraw/zinc/10/58/79/570105879.db2.gz GYNWJMODWPXRSW-VFLNYLIXSA-N 0 0 465.413 5.826 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(F)cc1 ZINC000409031853 570105906 /nfs/dbraw/zinc/10/59/06/570105906.db2.gz BBKYPZNJDBYRGB-LGUSAWBASA-N 0 0 456.333 5.517 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC ZINC000409032560 570106011 /nfs/dbraw/zinc/10/60/11/570106011.db2.gz JXBUYHUHRJULCM-KPKJPENVSA-N 0 0 486.824 5.805 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc2ccccc21 ZINC000409032642 570106025 /nfs/dbraw/zinc/10/60/25/570106025.db2.gz CSGXSZYMFBXWHR-AAPHRLRXSA-N 0 0 488.403 6.531 40 30 JKEBRN COc1ccc(Br)c(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000254614859 570106008 /nfs/dbraw/zinc/10/60/08/570106008.db2.gz CRMMTCNCRHOWRJ-UHFFFAOYSA-N 0 0 453.361 6.499 40 30 JKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000254741921 570106115 /nfs/dbraw/zinc/10/61/15/570106115.db2.gz QSKGIYXYULYGAZ-HNNXBMFYSA-N 0 0 463.375 7.535 40 30 JKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 ZINC000254752456 570106223 /nfs/dbraw/zinc/10/62/23/570106223.db2.gz MKWBKTNNYMUMAJ-IRQOQSCGSA-N 0 0 451.567 5.209 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409034025 570106236 /nfs/dbraw/zinc/10/62/36/570106236.db2.gz MZBIAPYYRXEULY-FLUNURKVSA-N 0 0 463.180 6.286 40 30 JKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409034024 570106265 /nfs/dbraw/zinc/10/62/65/570106265.db2.gz GVFHSJVJTJEBEN-YLKCYHHESA-N 0 0 493.206 6.295 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409034809 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570117470 /nfs/dbraw/zinc/11/74/70/570117470.db2.gz SLCJLSUQBKIPKR-HMAPJEAMSA-N 0 0 451.016 7.000 40 30 JKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1 ZINC000409069287 570117717 /nfs/dbraw/zinc/11/77/17/570117717.db2.gz CJEYXSLUGMKFHO-UHFFFAOYSA-N 0 0 483.608 6.046 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409069582 570117752 /nfs/dbraw/zinc/11/77/52/570117752.db2.gz LQVKFHIDRMSFLG-FYJGNVAPSA-N 0 0 492.424 6.756 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409069813 570117796 /nfs/dbraw/zinc/11/77/96/570117796.db2.gz AJZZYQXAMRCGTI-AMVVHIIESA-N 0 0 499.876 7.445 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409069990 570117822 /nfs/dbraw/zinc/11/78/22/570117822.db2.gz KFTHDVSIPRONGR-RDRPBHBLSA-N 0 0 452.510 6.815 40 30 JKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409069893 570117850 /nfs/dbraw/zinc/11/78/50/570117850.db2.gz 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/nfs/dbraw/zinc/11/99/49/570119949.db2.gz YQJKCJNNTOXZEV-UHFFFAOYSA-N 0 0 497.635 6.354 40 30 JKEBRN O=[N+]([O-])c1cccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)c1 ZINC000409076026 570119957 /nfs/dbraw/zinc/11/99/57/570119957.db2.gz WRJABZQBYSZNDF-KKMKTNMSSA-N 0 0 483.406 5.971 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409076389 570120049 /nfs/dbraw/zinc/12/00/49/570120049.db2.gz AVJAXFPPNLQKRE-HQKGYENSSA-N 0 0 477.029 7.241 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccc(C#N)cc3)sc2C1 ZINC000409076285 570120069 /nfs/dbraw/zinc/12/00/69/570120069.db2.gz AFZSHGTYRIYKOH-UFFVZDAASA-N 0 0 453.611 6.972 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccc(C#N)cc3)sc2C1 ZINC000409076283 570120077 /nfs/dbraw/zinc/12/00/77/570120077.db2.gz AFZSHGTYRIYKOH-CISRBEIWSA-N 0 0 453.611 6.972 40 30 JKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409076655 570120176 /nfs/dbraw/zinc/12/01/76/570120176.db2.gz BOMPIKSUNAHRDX-AQCJKUNZSA-N 0 0 480.630 6.190 40 30 JKEBRN COC(=O)c1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)ccc1Cl ZINC000409076604 570120223 /nfs/dbraw/zinc/12/02/23/570120223.db2.gz BAFHCXBMQZCOIG-ZJIVOUCISA-N 0 0 481.017 7.221 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cn(Cc4ccccc4C#N)c4ccccc34)sc2C1 ZINC000409077276 570120345 /nfs/dbraw/zinc/12/03/45/570120345.db2.gz DOQMDSGVYNKZTD-ZTPJUAHUSA-N 0 0 476.649 7.396 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)ccc1O ZINC000409077020 570120374 /nfs/dbraw/zinc/12/03/74/570120374.db2.gz CMXVOVRGPAKINX-RYPKJOHWSA-N 0 0 466.603 5.887 40 30 JKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409077592 570120430 /nfs/dbraw/zinc/12/04/30/570120430.db2.gz DWEPFQGNMMNRKX-QXUDOOCXSA-N 0 0 465.681 8.078 40 30 JKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409077396 570120431 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/nfs/dbraw/zinc/12/35/08/570123508.db2.gz BSNLBIJVORIVNJ-WBBAFLOHSA-N 0 0 481.459 7.852 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c(Br)c1 ZINC000409086898 570123509 /nfs/dbraw/zinc/12/35/09/570123509.db2.gz BSNLBIJVORIVNJ-KXVDBBMMSA-N 0 0 481.459 7.852 40 30 JKEBRN O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000409087264 570123533 /nfs/dbraw/zinc/12/35/33/570123533.db2.gz SOUHYRKCYWJRSM-BOTKPODPSA-N 0 0 480.564 7.213 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Cl)cc1 ZINC000409087221 570123534 /nfs/dbraw/zinc/12/35/34/570123534.db2.gz HFPSPUHPMSEJSL-WQRHYEAKSA-N 0 0 488.348 5.414 40 30 JKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000409086946 570123536 /nfs/dbraw/zinc/12/35/36/570123536.db2.gz SDBMSJVGVBJFQR-QKLWLHCCSA-N 0 0 499.076 7.225 40 30 JKEBRN CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000409087178 570123554 /nfs/dbraw/zinc/12/35/54/570123554.db2.gz AYSQYZFUPMVVPJ-BUIDJTJISA-N 0 0 474.670 7.689 40 30 JKEBRN C#CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CC(C)C)C1=O ZINC000409087500 570123639 /nfs/dbraw/zinc/12/36/39/570123639.db2.gz UMDCNJFOYYDKHF-DISDYRDVSA-N 0 0 459.398 6.265 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OCC)c1OCCC ZINC000409087342 570123682 /nfs/dbraw/zinc/12/36/82/570123682.db2.gz SZIPUVSKGRAJLS-ZEQPAHIUSA-N 0 0 498.648 7.411 40 30 JKEBRN C=CCc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409087773 570123754 /nfs/dbraw/zinc/12/37/54/570123754.db2.gz JYXNILSNKOOENU-UVHMKAGCSA-N 0 0 487.343 6.059 40 30 JKEBRN C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409088073 570123757 /nfs/dbraw/zinc/12/37/57/570123757.db2.gz DYYUOUQIBHSBOD-JXBYXGIRSA-N 0 0 470.638 6.914 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409087873 570123764 /nfs/dbraw/zinc/12/37/64/570123764.db2.gz IIQPLCCZQCLVCQ-RPPGKUMJSA-N 0 0 460.412 5.254 40 30 JKEBRN CN1C2=C(C(=O)CCC2)C(c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000409087951 570123774 /nfs/dbraw/zinc/12/37/74/570123774.db2.gz VEWHZHSKCRKMCT-UHFFFAOYSA-N 0 0 489.484 5.339 40 30 JKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409087805 570123779 /nfs/dbraw/zinc/12/37/79/570123779.db2.gz ZSEKIENWRGYFHH-MVTUMNDISA-N 0 0 476.642 6.738 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409088444 570123896 /nfs/dbraw/zinc/12/38/96/570123896.db2.gz FLIWYAUIINFNJY-JOBSNELWSA-N 0 0 455.421 6.296 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000409088531 570123923 /nfs/dbraw/zinc/12/39/23/570123923.db2.gz KGOCEPFXFDJWJK-AUWJEWJLSA-N 0 0 469.104 5.246 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc4c(c3)OCO4)c2C(=O)Nc2ccccc2)C1 ZINC000409088719 570124026 /nfs/dbraw/zinc/12/40/26/570124026.db2.gz GRGORZOPGGVBOC-OFSJGCFASA-N 0 0 460.599 6.631 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409088657 570124053 /nfs/dbraw/zinc/12/40/53/570124053.db2.gz GFOFPEQKAHDNCX-ZVHZXABRSA-N 0 0 478.417 5.691 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(OCC#N)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409088706 570124057 /nfs/dbraw/zinc/12/40/57/570124057.db2.gz XNFVYBCQVIFXKS-CJYMLFQTSA-N 0 0 471.626 6.804 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4cccc(Cl)c4)cc3)sc2C1 ZINC000409089303 570124125 /nfs/dbraw/zinc/12/41/25/570124125.db2.gz IIMRTGRWKWZAGZ-MKCCAMSKSA-N 0 0 463.046 7.754 40 30 JKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1O ZINC000409089006 570124148 /nfs/dbraw/zinc/12/41/48/570124148.db2.gz IBJQBAZCETYCCI-DXRBVMPTSA-N 0 0 497.060 7.270 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000409089289 570124176 /nfs/dbraw/zinc/12/41/76/570124176.db2.gz ZTOXMLJFSVBLMG-DICXZTSXSA-N 0 0 474.542 5.599 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409088930 570124188 /nfs/dbraw/zinc/12/41/88/570124188.db2.gz MIJZLOQKOOAFGV-LUOAPIJWSA-N 0 0 484.261 6.945 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc(C#N)cc4)cc3)sc2C1 ZINC000409089370 570124295 /nfs/dbraw/zinc/12/42/95/570124295.db2.gz MFNGNSVEXPPMMH-UFFVZDAASA-N 0 0 453.611 6.972 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1ccc(F)cc1 ZINC000409089550 570124304 /nfs/dbraw/zinc/12/43/04/570124304.db2.gz IZNFGTWZRXJNRR-FHTWKPHZSA-N 0 0 476.617 7.248 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4nc5ccccc5s4)o3)sc2C1 ZINC000409089522 570124313 /nfs/dbraw/zinc/12/43/13/570124313.db2.gz JKEVIFAUTMFQLG-FYDYWCEBSA-N 0 0 477.680 7.875 40 30 JKEBRN COc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CC[C@H](C(C)(C)C)C2 ZINC000409089766 570124450 /nfs/dbraw/zinc/12/44/50/570124450.db2.gz JYTDJEHZKBVOEP-OFSJGCFASA-N 0 0 450.604 6.181 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3OCC#N)c2C(=O)NCc2ccco2)C1 ZINC000409090402 570124564 /nfs/dbraw/zinc/12/45/64/570124564.db2.gz PHZROLROXGNCDA-OPLXADLCSA-N 0 0 475.614 6.075 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409090404 570124567 /nfs/dbraw/zinc/12/45/67/570124567.db2.gz PIECRROXHOUHED-PDGQHHTCSA-N 0 0 474.321 5.106 40 30 JKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409090371 570124569 /nfs/dbraw/zinc/12/45/69/570124569.db2.gz MUSDGQIKEPCGOZ-XKZIYDEJSA-N 0 0 494.374 6.654 40 30 JKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409090429 570124607 /nfs/dbraw/zinc/12/46/07/570124607.db2.gz QRACCMPMXCIFKO-OCSSWDANSA-N 0 0 469.589 6.311 40 30 JKEBRN CC[C@@H](C)Oc1c(I)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409090533 570124719 /nfs/dbraw/zinc/12/47/19/570124719.db2.gz RAUPZTKTQPWQIE-PTGPUUDJSA-N 0 0 493.267 5.337 40 30 JKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OCc1ccccc1 ZINC000409090885 570124743 /nfs/dbraw/zinc/12/47/43/570124743.db2.gz RBYSPWVXINFJQC-YIKLROOMSA-N 0 0 493.072 7.762 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cn(Cc4cccc(Cl)c4)c4ccccc34)sc2C1 ZINC000409090688 570124754 /nfs/dbraw/zinc/12/47/54/570124754.db2.gz NJCNTRWMNJMZLL-DJLXCBRGSA-N 0 0 486.084 8.178 40 30 JKEBRN O=C1/C(=C\c2ccc(O)c(Br)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000409091199 570124844 /nfs/dbraw/zinc/12/48/44/570124844.db2.gz QKVSHKKIYGEKGD-DDOPLPCHSA-N 0 0 479.399 5.827 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)ccc1OC ZINC000409091165 570124849 /nfs/dbraw/zinc/12/48/49/570124849.db2.gz PWYONEJMCVRADP-OPLXADLCSA-N 0 0 494.657 6.580 40 30 JKEBRN CCOc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C(C)C ZINC000409091334 570124854 /nfs/dbraw/zinc/12/48/54/570124854.db2.gz SREGYQQNXNNBJP-OHOAJJLFSA-N 0 0 471.066 7.431 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409091212 570124871 /nfs/dbraw/zinc/12/48/71/570124871.db2.gz ROUOVDTYTIJEJR-NSKAYECMSA-N 0 0 495.255 5.796 40 30 JKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409091459 570124947 /nfs/dbraw/zinc/12/49/47/570124947.db2.gz UOKPHEIGXPAEPF-HIWRWHBISA-N 0 0 482.481 6.672 40 30 JKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409091630 570125018 /nfs/dbraw/zinc/12/50/18/570125018.db2.gz QTTMJYPQHBYKIA-ODLFYWEKSA-N 0 0 482.305 5.520 40 30 JKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409091397 570125021 /nfs/dbraw/zinc/12/50/21/570125021.db2.gz QFYRBGBBAGZJDF-FHLIKIBJSA-N 0 0 464.631 6.571 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409091768 570125054 /nfs/dbraw/zinc/12/50/54/570125054.db2.gz UIRCKXCPITYGGN-YPXUMCKCSA-N 0 0 480.830 5.696 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(Br)o3)c2C(=O)NCc2ccco2)C1 ZINC000409092102 570125134 /nfs/dbraw/zinc/12/51/34/570125134.db2.gz UXUJWDCXVHWSST-ASBHVJNYSA-N 0 0 489.435 6.528 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409092383 570125192 /nfs/dbraw/zinc/12/51/92/570125192.db2.gz VEVXPVALDYDQBD-NSIKDUERSA-N 0 0 496.111 5.015 40 30 JKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409092353 570125205 /nfs/dbraw/zinc/12/52/05/570125205.db2.gz UXZVMQIBFKOZQM-UCQKPKSFSA-N 0 0 474.343 7.070 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1Cl ZINC000409092192 570125210 /nfs/dbraw/zinc/12/52/10/570125210.db2.gz WJQHFZGXDXYXLS-DISDYRDVSA-N 0 0 461.414 6.818 40 30 JKEBRN CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409092239 570125218 /nfs/dbraw/zinc/12/52/18/570125218.db2.gz UISKZGRGNDUFFS-YNJVHSRFSA-N 0 0 497.447 7.586 40 30 JKEBRN CC1=NOC(=O)/C1=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409092209 570125247 /nfs/dbraw/zinc/12/52/47/570125247.db2.gz 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Brc1ccc(COc2ccc(/C=N/c3cccc4ccccc43)cc2)c(Br)c1 ZINC000409187487 570160862 /nfs/dbraw/zinc/16/08/62/570160862.db2.gz RBTOAYNPLPPRME-JFLMPSFJSA-N 0 0 495.214 7.694 40 30 JKEBRN Brc1ccc(COc2ccc(/C=N/Cc3ccccc3)cc2)c(Br)c1 ZINC000409187076 570160863 /nfs/dbraw/zinc/16/08/63/570160863.db2.gz LQQPZAJJYLSGND-ZVHZXABRSA-N 0 0 459.181 6.410 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)cc1 ZINC000409187258 570160872 /nfs/dbraw/zinc/16/08/72/570160872.db2.gz OCQDOKKQMSJKTM-XKZIYDEJSA-N 0 0 451.979 6.038 40 30 JKEBRN CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409187296 570160873 /nfs/dbraw/zinc/16/08/73/570160873.db2.gz OOPIJLAMVASZDQ-MFKUBSTISA-N 0 0 450.516 5.827 40 30 JKEBRN COc1ccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409188290 570161068 /nfs/dbraw/zinc/16/10/68/570161068.db2.gz YJCPUGBESQJRRC-CFRMEGHHSA-N 0 0 475.180 6.550 40 30 JKEBRN CC(C)c1ccccc1/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409188180 570161084 /nfs/dbraw/zinc/16/10/84/570161084.db2.gz XFJSLZIKRSAJCP-VULFUBBASA-N 0 0 487.235 7.665 40 30 JKEBRN O=[N+]([O-])c1ccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1 ZINC000409188521 570161218 /nfs/dbraw/zinc/16/12/18/570161218.db2.gz ZWRMNOAPQUWZAZ-FMCGGJTJSA-N 0 0 490.151 6.449 40 30 JKEBRN O=[N+]([O-])c1cccc(/N=C\c2ccc(OCc3ccc(Br)cc3Br)cc2)c1 ZINC000409188759 570161243 /nfs/dbraw/zinc/16/12/43/570161243.db2.gz GEMXZIUQVIYVMV-FMCGGJTJSA-N 0 0 490.151 6.449 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccccc2C(=O)OC)nnc1-c1ccccc1 ZINC000409189441 570161333 /nfs/dbraw/zinc/16/13/33/570161333.db2.gz LLANJMGMBGZERC-WGOQTCKBSA-N 0 0 487.541 5.562 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000409190589 570161777 /nfs/dbraw/zinc/16/17/77/570161777.db2.gz ZVRWSPLAFKNPJZ-YDZHTSKRSA-N 0 0 453.911 6.021 40 30 JKEBRN CCN1c2ccc(Br)cc2/C(=N\c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1=O ZINC000409192129 570162279 /nfs/dbraw/zinc/16/22/79/570162279.db2.gz ARQZAJCJHSIVGP-BGABXYSRSA-N 0 0 496.364 6.735 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409193001 570162632 /nfs/dbraw/zinc/16/26/32/570162632.db2.gz HVCSMLAANMHCAS-YBFXNURJSA-N 0 0 494.794 6.307 40 30 JKEBRN CCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Sc2nnc(-c3ccco3)n2CC)cc1 ZINC000409194558 570163069 /nfs/dbraw/zinc/16/30/69/570163069.db2.gz PALBGTYZTKNYLG-MFKUBSTISA-N 0 0 491.529 5.545 40 30 JKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(OC)cc2)nnc1-c1ccccc1 ZINC000409195981 570163556 /nfs/dbraw/zinc/16/35/56/570163556.db2.gz XVYMFHJOQIDXLZ-PCLIKHOPSA-N 0 0 459.531 5.784 40 30 JKEBRN N#Cc1ccccc1Cn1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c2ccccc21 ZINC000409198734 570164322 /nfs/dbraw/zinc/16/43/22/570164322.db2.gz KLDKYKOLSXXFSB-MTDXEUNCSA-N 0 0 451.529 6.780 40 30 JKEBRN C=CCOc1c(I)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000409198913 570164359 /nfs/dbraw/zinc/16/43/59/570164359.db2.gz MMFKMCZXCBGOHJ-UHFFFAOYSA-N 0 0 464.130 5.784 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1 ZINC000409199003 570164435 /nfs/dbraw/zinc/16/44/35/570164435.db2.gz AVDOWEIIYCUMPY-AFUMVMLFSA-N 0 0 471.338 6.246 40 30 JKEBRN Clc1ccc(COc2c(Br)cc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409199127 570164451 /nfs/dbraw/zinc/16/44/51/570164451.db2.gz BNTZUPFTLXNNAE-WYMPLXKRSA-N 0 0 479.599 7.195 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409199381 570164541 /nfs/dbraw/zinc/16/45/41/570164541.db2.gz CIOQNJAQKVELEG-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409199450 570164656 /nfs/dbraw/zinc/16/46/56/570164656.db2.gz DHZIPGPYKHHMGW-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199502 570164693 /nfs/dbraw/zinc/16/46/93/570164693.db2.gz DUYNJVLVKAYTHG-ZMOGYAJESA-N 0 0 455.308 6.004 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199628 570164696 /nfs/dbraw/zinc/16/46/96/570164696.db2.gz CEFNQCCBAHUUQA-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN C#CCOc1c(I)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409199667 570164707 /nfs/dbraw/zinc/16/47/07/570164707.db2.gz IOPURNOWVLDILT-UHFFFAOYSA-N 0 0 476.141 5.621 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000409199737 570164765 /nfs/dbraw/zinc/16/47/65/570164765.db2.gz DBIMWTXFFYKXBV-JVWAILMASA-N 0 0 489.871 7.492 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409199765 570164781 /nfs/dbraw/zinc/16/47/81/570164781.db2.gz DITJAADHOVSQKV-JFLMPSFJSA-N 0 0 499.392 6.945 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(/C=N/c3cc(C)ccc3C)cc2Br)cc1 ZINC000409200006 570164843 /nfs/dbraw/zinc/16/48/43/570164843.db2.gz GMAKNJPYSILTPV-LGJNPRDNSA-N 0 0 487.235 7.466 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409199982 570164854 /nfs/dbraw/zinc/16/48/54/570164854.db2.gz GFRDMDZQOMDMDL-IPPBACCNSA-N 0 0 485.411 7.085 40 30 JKEBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409200069 570164878 /nfs/dbraw/zinc/16/48/78/570164878.db2.gz GMSFQUQCIGBXBL-OYKKKHCWSA-N 0 0 487.581 5.249 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409200162 570164952 /nfs/dbraw/zinc/16/49/52/570164952.db2.gz HFIHNAIDDJXODE-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409200306 570164971 /nfs/dbraw/zinc/16/49/71/570164971.db2.gz HQARXNYJODHZJL-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN O=C(COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 ZINC000409200589 570165055 /nfs/dbraw/zinc/16/50/55/570165055.db2.gz IKEJOCHLOXVWOP-RDRPBHBLSA-N 0 0 456.929 6.900 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C(=O)N1C(C)C ZINC000409200628 570165059 /nfs/dbraw/zinc/16/50/59/570165059.db2.gz JACQZYPIESDXOA-MZSOZYSHSA-N 0 0 469.610 6.380 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409200619 570165086 /nfs/dbraw/zinc/16/50/86/570165086.db2.gz IQKLEKOBUXTIIV-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409200637 570165157 /nfs/dbraw/zinc/16/51/57/570165157.db2.gz JBMPKXBRBPELMT-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409200681 570165163 /nfs/dbraw/zinc/16/51/63/570165163.db2.gz JRKWHZXTQUPGRE-KKMKTNMSSA-N 0 0 469.195 8.029 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409200751 570165196 /nfs/dbraw/zinc/16/51/96/570165196.db2.gz IZFRWBCZSPLWMT-LQKURTRISA-N 0 0 460.371 7.249 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(C)c1 ZINC000409201336 570165324 /nfs/dbraw/zinc/16/53/24/570165324.db2.gz LPGJMHIMTNNTHM-BOSNEQTGSA-N 0 0 452.620 6.062 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409201341 570165350 /nfs/dbraw/zinc/16/53/50/570165350.db2.gz LQRQOXRGIIXWBP-YPXUMCKCSA-N 0 0 473.614 8.592 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409201196 570165367 /nfs/dbraw/zinc/16/53/67/570165367.db2.gz KLCVJPKAYJWKKZ-JVWAILMASA-N 0 0 499.392 6.890 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1Cl ZINC000409201439 570165470 /nfs/dbraw/zinc/16/54/70/570165470.db2.gz MVNXKWGTAKIOHG-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1Cl ZINC000409201519 570165503 /nfs/dbraw/zinc/16/55/03/570165503.db2.gz NYZZPGGWWMJHBP-YKQZZPSBSA-N 0 0 470.956 7.209 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)ccc1Cl ZINC000409201885 570165644 /nfs/dbraw/zinc/16/56/44/570165644.db2.gz OLPPIAMPPUNJON-MSYPBOOISA-N 0 0 495.044 7.611 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000409201937 570165701 /nfs/dbraw/zinc/16/57/01/570165701.db2.gz OUCYENCITILAQE-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)ccc1Cl ZINC000409201888 570165707 /nfs/dbraw/zinc/16/57/07/570165707.db2.gz OLPPIAMPPUNJON-OZBRXXBKSA-N 0 0 495.044 7.611 40 30 JKEBRN Clc1cccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)c1 ZINC000409202202 570165819 /nfs/dbraw/zinc/16/58/19/570165819.db2.gz PZXPITGMGAOFPB-WYMPLXKRSA-N 0 0 479.599 7.195 40 30 JKEBRN FC(F)(F)c1ccccc1-c1ccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)o1 ZINC000409202132 570165803 /nfs/dbraw/zinc/16/58/03/570165803.db2.gz PBONOZIPAOVSMA-STBIYBPSSA-N 0 0 499.541 5.577 40 30 JKEBRN CCc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409202014 570165806 /nfs/dbraw/zinc/16/58/06/570165806.db2.gz QDBJSSCLPFDNFW-OKCVXOCRSA-N 0 0 464.443 7.872 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Br)c1 ZINC000409202450 570165921 /nfs/dbraw/zinc/16/59/21/570165921.db2.gz QUUDYKYJHZTKDP-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN Fc1cccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 ZINC000409202595 570165967 /nfs/dbraw/zinc/16/59/67/570165967.db2.gz RWJCQMHBSQZLRC-OKCVXOCRSA-N 0 0 466.339 8.254 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409202492 570166008 /nfs/dbraw/zinc/16/60/08/570166008.db2.gz RELAKWCMCLWABY-BUVRLJJBSA-N 0 0 491.996 6.897 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409202811 570166095 /nfs/dbraw/zinc/16/60/95/570166095.db2.gz SNHDKHZNDBQXMT-LUOAPIJWSA-N 0 0 469.246 7.772 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc5ccccc5c4)cc3)sc2C1 ZINC000409202979 570166159 /nfs/dbraw/zinc/16/61/59/570166159.db2.gz TZPAAQOSYLEOET-ZCZCTQKPSA-N 0 0 478.661 8.254 40 30 JKEBRN COc1cc(C=NNc2ccc(Br)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409202978 570166224 /nfs/dbraw/zinc/16/62/24/570166224.db2.gz UPHYDAUQYPCOIF-YDZHTSKRSA-N 0 0 456.296 5.391 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409203240 570166248 /nfs/dbraw/zinc/16/62/48/570166248.db2.gz WUYLBHFMGIQXKK-RWPZCVJISA-N 0 0 450.966 6.432 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc(Cl)c1 ZINC000409203276 570166297 /nfs/dbraw/zinc/16/62/97/570166297.db2.gz WXJZTGVPNWQEOQ-DHRITJCHSA-N 0 0 491.756 6.591 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C(C)C ZINC000409203405 570166387 /nfs/dbraw/zinc/16/63/87/570166387.db2.gz WBJUGGUMKQSTTI-JKWKCKJXSA-N 0 0 462.575 5.687 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1 ZINC000409203596 570166522 /nfs/dbraw/zinc/16/65/22/570166522.db2.gz YZHVKDRECJSVPO-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409203860 570166542 /nfs/dbraw/zinc/16/65/42/570166542.db2.gz ZFOUGXKOHWIKPT-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409203909 570166568 /nfs/dbraw/zinc/16/65/68/570166568.db2.gz ZUMVJBRMYAYZOW-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409203725 570166584 /nfs/dbraw/zinc/16/65/84/570166584.db2.gz YLMUFCNQSMEOBR-MFKUBSTISA-N 0 0 488.403 5.983 40 30 JKEBRN C#CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1Br ZINC000409205520 570166996 /nfs/dbraw/zinc/16/69/96/570166996.db2.gz OLGGPAONKYXBIP-UHFFFAOYSA-N 0 0 473.990 5.598 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(C)ccc3C)cc2Br)cc1 ZINC000409206650 570167316 /nfs/dbraw/zinc/16/73/16/570167316.db2.gz ZJOHUGQIHTUUSV-ZVHZXABRSA-N 0 0 458.377 5.893 40 30 JKEBRN N#Cc1ccc(Cn2cc(/C=C3/C(=O)Nc4ccccc43)c3cc(Br)ccc32)cc1 ZINC000409207122 570167612 /nfs/dbraw/zinc/16/76/12/570167612.db2.gz SBENQVPLOOYPTE-SSDVNMTOSA-N 0 0 454.327 5.816 40 30 JKEBRN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261362638 570167750 /nfs/dbraw/zinc/16/77/50/570167750.db2.gz MMPXYGOECCDDMF-QHCPKHFHSA-O 0 0 477.654 5.688 40 30 JKEBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1C#N ZINC000409207636 570167793 /nfs/dbraw/zinc/16/77/93/570167793.db2.gz ZFFBRCAVFFAAIY-ZVHZXABRSA-N 0 0 489.622 5.492 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409207908 570167950 /nfs/dbraw/zinc/16/79/50/570167950.db2.gz CLGQJHCNZWBCIP-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409207894 570167967 /nfs/dbraw/zinc/16/79/67/570167967.db2.gz CEDWULRIPGCFPZ-ISHFRVPGSA-N 0 0 493.456 6.670 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1Cl ZINC000409208449 570168189 /nfs/dbraw/zinc/16/81/89/570168189.db2.gz BRNBPQYTIGUXAL-WYMPLXKRSA-N 0 0 499.213 6.583 40 30 JKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1C ZINC000409208550 570168205 /nfs/dbraw/zinc/16/82/05/570168205.db2.gz CGIITOVGQVJQQM-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409208483 570168227 /nfs/dbraw/zinc/16/82/27/570168227.db2.gz GGSNPWNWPHEDHP-OCSSWDANSA-N 0 0 478.426 7.949 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000409208435 570168233 /nfs/dbraw/zinc/16/82/33/570168233.db2.gz BQLLOBUOBDXELM-JFLMPSFJSA-N 0 0 488.809 7.230 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409208678 570168345 /nfs/dbraw/zinc/16/83/45/570168345.db2.gz DTJRUUXJMNDPKX-YPXUMCKCSA-N 0 0 473.614 8.592 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000409208768 570168377 /nfs/dbraw/zinc/16/83/77/570168377.db2.gz BYZCBADTZUZIHQ-JFLMPSFJSA-N 0 0 488.809 7.230 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1ccccc1F ZINC000409208667 570168395 /nfs/dbraw/zinc/16/83/95/570168395.db2.gz DNSHKWGTFFNUGY-OFSKBFHASA-N 0 0 490.644 7.638 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409208772 570168495 /nfs/dbraw/zinc/16/84/95/570168495.db2.gz DHLRPHXUHYDVLA-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409208949 570168501 /nfs/dbraw/zinc/16/85/01/570168501.db2.gz DMAGIPSVUKWCTE-XODNFHPESA-N 0 0 478.854 7.517 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409208855 570168508 /nfs/dbraw/zinc/16/85/08/570168508.db2.gz COZYPGJJUFGASU-LGJNPRDNSA-N 0 0 479.201 7.484 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409209121 570168623 /nfs/dbraw/zinc/16/86/23/570168623.db2.gz GCTSAQWJDVFPHP-LGJNPRDNSA-N 0 0 491.198 7.243 40 30 JKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)c(C)c1 ZINC000409209119 570168626 /nfs/dbraw/zinc/16/86/26/570168626.db2.gz GCTFCUZZZVNVKZ-OKCVXOCRSA-N 0 0 456.973 7.187 40 30 JKEBRN Fc1cccc(COc2c(Br)cc(/C=N/c3ccccc3)cc2Br)c1 ZINC000409209129 570168635 /nfs/dbraw/zinc/16/86/35/570168635.db2.gz HHCMPIHRLRTFFO-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000409209216 570168642 /nfs/dbraw/zinc/16/86/42/570168642.db2.gz HUDWKXAJKHGVJU-BRJLIKDPSA-N 0 0 468.789 6.782 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409209330 570168734 /nfs/dbraw/zinc/16/87/34/570168734.db2.gz FUJJEJCMIFIRJZ-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1 ZINC000409209444 570168761 /nfs/dbraw/zinc/16/87/61/570168761.db2.gz HAMKITBMMNCWAE-AFUMVMLFSA-N 0 0 471.338 6.246 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C\c1cn(Cc2ccc4ccccc4c2)c2ccccc12)CCCC3 ZINC000409209294 570168768 /nfs/dbraw/zinc/16/87/68/570168768.db2.gz IPNKMUPRNNVLNO-ZMGVVAQMSA-N 0 0 488.616 6.375 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1 ZINC000409209580 570168906 /nfs/dbraw/zinc/16/89/06/570168906.db2.gz HEGHAFXEMRVMQG-BRJLIKDPSA-N 0 0 493.170 6.689 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1 ZINC000409209765 570168985 /nfs/dbraw/zinc/16/89/85/570168985.db2.gz HWMNKALMACVAFQ-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409209682 570169004 /nfs/dbraw/zinc/16/90/04/570169004.db2.gz HDISHFPYDKDXBZ-STBIYBPSSA-N 0 0 490.397 7.339 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409209832 570169047 /nfs/dbraw/zinc/16/90/47/570169047.db2.gz JILSAMKIBOVIQJ-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409209968 570169129 /nfs/dbraw/zinc/16/91/29/570169129.db2.gz KCAMHHRCAYDEHO-PCLIKHOPSA-N 0 0 485.321 6.408 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209949 570169164 /nfs/dbraw/zinc/16/91/64/570169164.db2.gz IQXVAAKJDDFNFF-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209890 570169165 /nfs/dbraw/zinc/16/91/65/570169165.db2.gz GQZWRQAROGLUHO-CVKSISIWSA-N 0 0 483.362 6.648 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409210127 570169168 /nfs/dbraw/zinc/16/91/68/570169168.db2.gz DVTWACRAOLXLMD-XODNFHPESA-N 0 0 471.384 6.695 40 30 JKEBRN CCOc1cc(OCC)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409210279 570169307 /nfs/dbraw/zinc/16/93/07/570169307.db2.gz JBONFTCOOLKZCU-HFYOLELGSA-N 0 0 455.418 5.336 40 30 JKEBRN Cc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409210142 570169308 /nfs/dbraw/zinc/16/93/08/570169308.db2.gz FAVDKMQEOIMKKJ-WKULSOCRSA-N 0 0 450.416 7.618 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OCC)c2)cc1 ZINC000409210241 570169319 /nfs/dbraw/zinc/16/93/19/570169319.db2.gz FRUONDURXWYIPO-LQKURTRISA-N 0 0 466.965 6.214 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409210229 570169325 /nfs/dbraw/zinc/16/93/25/570169325.db2.gz ISWFRMQNJRJPSO-UVHMKAGCSA-N 0 0 493.279 7.481 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1C ZINC000409210345 570169449 /nfs/dbraw/zinc/16/94/49/570169449.db2.gz KINXQPGZVHDXAA-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409210466 570169484 /nfs/dbraw/zinc/16/94/84/570169484.db2.gz IWPSCIROEGUSJQ-UCQKPKSFSA-N 0 0 495.597 5.238 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409210698 570169499 /nfs/dbraw/zinc/16/94/99/570169499.db2.gz KREZCHWFBPQUMA-FLSMQFACSA-N 0 0 456.583 5.893 40 30 JKEBRN COc1ccc(C(=O)Oc2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)cc1 ZINC000409210629 570169558 /nfs/dbraw/zinc/16/95/58/570169558.db2.gz FZDTZTAGJKVTCN-MVTUMNDISA-N 0 0 472.610 6.749 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409210925 570169674 /nfs/dbraw/zinc/16/96/74/570169674.db2.gz HMCVENYMEBKASV-MFKUBSTISA-N 0 0 459.951 5.574 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409210926 570169678 /nfs/dbraw/zinc/16/96/78/570169678.db2.gz MGPJSXHUSWTPAZ-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409210751 570169691 /nfs/dbraw/zinc/16/96/91/570169691.db2.gz GPWGCWNOHADQHJ-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409211001 570169725 /nfs/dbraw/zinc/16/97/25/570169725.db2.gz LNHXCCYYMUUXTL-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409211110 570169765 /nfs/dbraw/zinc/16/97/65/570169765.db2.gz KUUQVFJRNHVHFK-INYRYZQDSA-N 0 0 483.603 7.948 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409211098 570169817 /nfs/dbraw/zinc/16/98/17/570169817.db2.gz KROVOFAXYUUCAT-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000409211251 570169934 /nfs/dbraw/zinc/16/99/34/570169934.db2.gz MTPGEOFAMROBOT-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409211574 570170017 /nfs/dbraw/zinc/17/00/17/570170017.db2.gz OKNODDFZGZHDCJ-UVHMKAGCSA-N 0 0 493.228 7.657 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1F ZINC000409211637 570170151 /nfs/dbraw/zinc/17/01/51/570170151.db2.gz NJKAUNLLFSZCFY-UVHMKAGCSA-N 0 0 476.773 7.278 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl ZINC000409211638 570170165 /nfs/dbraw/zinc/17/01/65/570170165.db2.gz MIEGFPAOLDOZIF-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409211713 570170174 /nfs/dbraw/zinc/17/01/74/570170174.db2.gz OHHNULHFUBNPTH-WKULSOCRSA-N 0 0 450.365 7.793 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409212191 570170321 /nfs/dbraw/zinc/17/03/21/570170321.db2.gz PXERVJNQBMYCLC-MTDXEUNCSA-N 0 0 493.968 6.659 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000409212146 570170339 /nfs/dbraw/zinc/17/03/39/570170339.db2.gz PNLAFLLHIFJFIK-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409211996 570170372 /nfs/dbraw/zinc/17/03/72/570170372.db2.gz PLWCOMWQQNTSDN-KSVGNYRWSA-N 0 0 496.592 5.886 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409212032 570170380 /nfs/dbraw/zinc/17/03/80/570170380.db2.gz LLIBKOZHZACANJ-WSCLTDIXSA-N 0 0 487.065 6.715 40 30 JKEBRN Cc1nc(SCC(=O)Nc2ccccc2Br)c(C#N)c(C)c1C=C(O)c1ccccc1 ZINC000261526576 570170381 /nfs/dbraw/zinc/17/03/81/570170381.db2.gz BHIKULHOSXPFIG-UHFFFAOYSA-N 0 0 494.414 5.489 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409212089 570170412 /nfs/dbraw/zinc/17/04/12/570170412.db2.gz OUOZYFXYWRQBCQ-LGJNPRDNSA-N 0 0 491.198 7.243 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/c2cccc(C)c2C)cc1Cl ZINC000409212255 570170447 /nfs/dbraw/zinc/17/04/47/570170447.db2.gz PBMPJFMXFYMAGB-UVHMKAGCSA-N 0 0 485.809 6.796 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 ZINC000409212372 570170505 /nfs/dbraw/zinc/17/05/05/570170505.db2.gz QQKYQTZPCBUKQR-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN COc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409212622 570170544 /nfs/dbraw/zinc/17/05/44/570170544.db2.gz QZWJVELFQSQJKE-YDZHTSKRSA-N 0 0 461.153 6.763 40 30 JKEBRN CCOc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000409212500 570170566 /nfs/dbraw/zinc/17/05/66/570170566.db2.gz QPBQEHVQPDVZFT-MUFRIFMGSA-N 0 0 450.365 7.875 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409212504 570170586 /nfs/dbraw/zinc/17/05/86/570170586.db2.gz QFWKKCWVIRWHAG-VULFUBBASA-N 0 0 458.783 7.139 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409212560 570170597 /nfs/dbraw/zinc/17/05/97/570170597.db2.gz NAYPCLOZJXMIFT-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCC4)sc2C1 ZINC000261526985 570170593 /nfs/dbraw/zinc/17/05/93/570170593.db2.gz SWWHNVFXUPHPRA-KRWDZBQOSA-N 0 0 464.660 5.647 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409212607 570170611 /nfs/dbraw/zinc/17/06/11/570170611.db2.gz QWQPRDKCRSDIKR-ASCZMWPCSA-N 0 0 491.028 6.546 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCC4)sc2C1 ZINC000261526986 570170607 /nfs/dbraw/zinc/17/06/07/570170607.db2.gz SWWHNVFXUPHPRA-QGZVFWFLSA-N 0 0 464.660 5.647 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000409212705 570170688 /nfs/dbraw/zinc/17/06/88/570170688.db2.gz PQUHLLUMSHIIRD-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409212931 570170790 /nfs/dbraw/zinc/17/07/90/570170790.db2.gz NJYADHZEQKPDNI-ZVHZXABRSA-N 0 0 490.375 5.293 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409212895 570170802 /nfs/dbraw/zinc/17/08/02/570170802.db2.gz NGWGTDDEEPJQSO-CCVNUDIWSA-N 0 0 458.436 7.172 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409212988 570170820 /nfs/dbraw/zinc/17/08/20/570170820.db2.gz NTIJKNCUUNDIQM-AJBULDERSA-N 0 0 480.564 6.954 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409213119 570170883 /nfs/dbraw/zinc/17/08/83/570170883.db2.gz SMGZJLBSMDMZJV-DHRITJCHSA-N 0 0 464.370 6.137 40 30 JKEBRN COc1cccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409213173 570170912 /nfs/dbraw/zinc/17/09/12/570170912.db2.gz RIZXACVXILCHQC-WAWHQBRESA-N 0 0 481.618 5.110 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c(C)c1 ZINC000409213251 570170993 /nfs/dbraw/zinc/17/09/93/570170993.db2.gz TZGUQOMMQSNTGP-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409213445 570171010 /nfs/dbraw/zinc/17/10/10/570171010.db2.gz VHRWDOSNGBHXTD-BUVRLJJBSA-N 0 0 490.375 5.375 40 30 JKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000409213407 570171013 /nfs/dbraw/zinc/17/10/13/570171013.db2.gz UJNDHARQHZNUCD-AFUMVMLFSA-N 0 0 473.208 7.104 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409213663 570171120 /nfs/dbraw/zinc/17/11/20/570171120.db2.gz UHKCAMIQDGIJHP-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)cc2)cc1 ZINC000409213478 570171149 /nfs/dbraw/zinc/17/11/49/570171149.db2.gz VYTVVMQPELGIHB-RWPZCVJISA-N 0 0 457.555 5.353 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409214069 570171394 /nfs/dbraw/zinc/17/13/94/570171394.db2.gz XPAXPZSGAJUWDA-VULFUBBASA-N 0 0 478.397 6.527 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409214041 570171430 /nfs/dbraw/zinc/17/14/30/570171430.db2.gz XDGUHQHQIKTLLT-VULFUBBASA-N 0 0 458.783 7.003 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccccc1 ZINC000409214218 570171537 /nfs/dbraw/zinc/17/15/37/570171537.db2.gz WXKIJOMCGXUBSC-ZVHZXABRSA-N 0 0 457.311 5.938 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409214268 570171526 /nfs/dbraw/zinc/17/15/26/570171526.db2.gz WUTGNVHUNKSGNJ-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)sc2C1 ZINC000409214119 570171539 /nfs/dbraw/zinc/17/15/39/570171539.db2.gz VWVCDPDXISKZAR-KBSCCBJKSA-N 0 0 469.629 7.663 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409214470 570171613 /nfs/dbraw/zinc/17/16/13/570171613.db2.gz XXBZDDBYSVHZTN-RPPGKUMJSA-N 0 0 450.800 6.819 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409214313 570171647 /nfs/dbraw/zinc/17/16/47/570171647.db2.gz SJPIHTYDSJQOPV-CCVNUDIWSA-N 0 0 458.436 7.172 40 30 JKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)cc1 ZINC000409214396 570171668 /nfs/dbraw/zinc/17/16/68/570171668.db2.gz XHTJYECKMLXBBN-RPPGKUMJSA-N 0 0 495.251 6.928 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000409214585 570171745 /nfs/dbraw/zinc/17/17/45/570171745.db2.gz WFSRENLBCFFDJX-WYMPLXKRSA-N 0 0 454.762 6.474 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C ZINC000409214723 570171750 /nfs/dbraw/zinc/17/17/50/570171750.db2.gz YEGXVMCLPHSTLP-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCc1ccc(/N=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409214588 570171762 /nfs/dbraw/zinc/17/17/62/570171762.db2.gz YJDJUCUKSBPAGV-VULFUBBASA-N 0 0 489.328 6.331 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409214544 570171786 /nfs/dbraw/zinc/17/17/86/570171786.db2.gz XYTWPOKZDMXLBE-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C(C)C ZINC000409214750 570171789 /nfs/dbraw/zinc/17/17/89/570171789.db2.gz YNWIZVJUZQEBNS-SACJYJSVSA-N 0 0 452.023 6.432 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409214619 570171800 /nfs/dbraw/zinc/17/18/00/570171800.db2.gz YRMQVLPSEUUSFG-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409214554 570171814 /nfs/dbraw/zinc/17/18/14/570171814.db2.gz WALZLGFZNWCTPD-FSJBWODESA-N 0 0 486.278 6.125 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409214886 570171842 /nfs/dbraw/zinc/17/18/42/570171842.db2.gz YIBCXITYUHRBTI-MFKUBSTISA-N 0 0 471.338 6.328 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccccc1F ZINC000409214787 570171862 /nfs/dbraw/zinc/17/18/62/570171862.db2.gz UNFODZBJUCPUAL-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409214795 570171875 /nfs/dbraw/zinc/17/18/75/570171875.db2.gz YHEXFZSGSRXEHC-CVKSISIWSA-N 0 0 467.363 5.924 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409214908 570171890 /nfs/dbraw/zinc/17/18/90/570171890.db2.gz VEWPNAUKQZHTDX-UVHMKAGCSA-N 0 0 457.357 6.387 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409214924 570171911 /nfs/dbraw/zinc/17/19/11/570171911.db2.gz YPAPRNYUOUKBBT-OEAKJJBVSA-N 0 0 460.349 5.284 40 30 JKEBRN Clc1ccccc1COc1c(Br)cc(Br)cc1/C=N/c1ccccc1 ZINC000409215145 570172014 /nfs/dbraw/zinc/17/20/14/570172014.db2.gz XKZFRPMSACUKCO-WYMPLXKRSA-N 0 0 479.599 7.195 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccccc3OCCOc3ccccc3)sc2C1 ZINC000409215124 570172015 /nfs/dbraw/zinc/17/20/15/570172015.db2.gz WSLPHPHLHUYZLK-QYJXRTEHSA-N 0 0 458.627 6.979 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409215350 570172065 /nfs/dbraw/zinc/17/20/65/570172065.db2.gz ZLMCPERKWUQTSD-ZMOGYAJESA-N 0 0 450.343 5.829 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000409215328 570172072 /nfs/dbraw/zinc/17/20/72/570172072.db2.gz ZAVBNOHKNSGFKY-CVKSISIWSA-N 0 0 494.396 6.309 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1C(C)C ZINC000409215272 570172099 /nfs/dbraw/zinc/17/20/99/570172099.db2.gz WNUDJVUQNYCYBL-HZHQRTMQSA-N 0 0 463.430 6.662 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409215611 570172186 /nfs/dbraw/zinc/17/21/86/570172186.db2.gz CHLHZMIJRRDWJA-OPEKNORGSA-N 0 0 489.207 7.127 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl ZINC000409215557 570172188 /nfs/dbraw/zinc/17/21/88/570172188.db2.gz BFAJXATZQFXVSJ-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409215461 570172196 /nfs/dbraw/zinc/17/21/96/570172196.db2.gz ZGRZRAGIQKXARB-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409215441 570172228 /nfs/dbraw/zinc/17/22/28/570172228.db2.gz YTZSJQZWZAQCQP-MFKUBSTISA-N 0 0 487.191 7.319 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1Cl ZINC000409215693 570172318 /nfs/dbraw/zinc/17/23/18/570172318.db2.gz DQJKONUPBMYGSQ-IPPBACCNSA-N 0 0 454.784 8.438 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409215810 570172319 /nfs/dbraw/zinc/17/23/19/570172319.db2.gz BEGYIIXHLDWYHC-DHRITJCHSA-N 0 0 468.789 6.728 40 30 JKEBRN COCc1cc(C)nc(N=NCc2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C#N ZINC000409215868 570172343 /nfs/dbraw/zinc/17/23/43/570172343.db2.gz BUBWTFQBVKGFPB-ACXHZZMFSA-N 0 0 459.553 6.010 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccc4ccccc4c3)sc2C1 ZINC000409216085 570172434 /nfs/dbraw/zinc/17/24/34/570172434.db2.gz HWQGOXBHDZECIP-ZCZCTQKPSA-N 0 0 478.661 8.254 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCc1ccncc1 ZINC000409215963 570172468 /nfs/dbraw/zinc/17/24/68/570172468.db2.gz CNEUZCWEKGXYSU-FPBZBRPHSA-N 0 0 459.615 6.504 40 30 JKEBRN Fc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409216010 570172493 /nfs/dbraw/zinc/17/24/93/570172493.db2.gz CZEXIKJWAHCFFB-STBIYBPSSA-N 0 0 476.345 7.710 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)S2)c(C)c1 ZINC000409215993 570172498 /nfs/dbraw/zinc/17/24/98/570172498.db2.gz CVAATJJHVYLDSR-YZSQISJMSA-N 0 0 467.594 6.229 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)sc2c1CCCC2 ZINC000409216211 570172560 /nfs/dbraw/zinc/17/25/60/570172560.db2.gz ITYLKBUGHQZKOT-MZJWZYIUSA-N 0 0 495.557 6.048 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409216218 570172611 /nfs/dbraw/zinc/17/26/11/570172611.db2.gz GFYRIUNQKKCDFA-ZMOGYAJESA-N 0 0 466.342 5.529 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)C3=C2CC[C@@]2(C)[C@@H]([C@H](C)/C=C\[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000263610059 570172652 /nfs/dbraw/zinc/17/26/52/570172652.db2.gz VTJXNFAYWSDJMD-QRJUNIECSA-N 0 0 452.679 7.225 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)N1C(C)C ZINC000409216353 570172658 /nfs/dbraw/zinc/17/26/58/570172658.db2.gz HNBUFCRRWDQXIE-KWKYFYOMSA-N 0 0 478.593 5.508 40 30 JKEBRN Fc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409216286 570172703 /nfs/dbraw/zinc/17/27/03/570172703.db2.gz JUDSDKUHZGCSFI-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409216428 570172710 /nfs/dbraw/zinc/17/27/10/570172710.db2.gz LBZULNKFNFBDDB-FDAWAROLSA-N 0 0 492.402 8.514 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1OCC ZINC000409216384 570172729 /nfs/dbraw/zinc/17/27/29/570172729.db2.gz HSTYIBNYJPWIMD-FKSSYULRSA-N 0 0 489.479 7.081 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409216558 570172754 /nfs/dbraw/zinc/17/27/54/570172754.db2.gz MESSBZJWXWICLB-XODNFHPESA-N 0 0 462.804 7.992 40 30 JKEBRN Clc1ccc(COc2c(Cl)cc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409216523 570172809 /nfs/dbraw/zinc/17/28/09/570172809.db2.gz IWNNDHZYDAIFDG-OKCVXOCRSA-N 0 0 482.794 8.769 40 30 JKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409216639 570172835 /nfs/dbraw/zinc/17/28/35/570172835.db2.gz MXPAVUDZXCXDEL-ZVHZXABRSA-N 0 0 475.180 7.153 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(C)cc2)cc1 ZINC000409216847 570172876 /nfs/dbraw/zinc/17/28/76/570172876.db2.gz OYBZUUUJBMPFAQ-VULFUBBASA-N 0 0 487.235 7.412 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409216893 570172891 /nfs/dbraw/zinc/17/28/91/570172891.db2.gz PORZOETZUHDPGF-VULFUBBASA-N 0 0 467.363 5.843 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409216778 570172907 /nfs/dbraw/zinc/17/29/07/570172907.db2.gz LLIXWZUHHUHIEC-KGENOOAVSA-N 0 0 453.947 5.720 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409217058 570172967 /nfs/dbraw/zinc/17/29/67/570172967.db2.gz NPCSENVMIFVFCY-BEJYLZJOSA-N 0 0 499.076 6.745 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409217119 570173027 /nfs/dbraw/zinc/17/30/27/570173027.db2.gz RYKQCZMHFCDCQC-JAIQZWGSSA-N 0 0 485.396 5.687 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409217070 570173044 /nfs/dbraw/zinc/17/30/44/570173044.db2.gz NSDWWEKCTXFSJP-KVSWJAHQSA-N 0 0 478.854 7.435 40 30 JKEBRN CCOc1cc(Br)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409217361 570173085 /nfs/dbraw/zinc/17/30/85/570173085.db2.gz BRXWOELPQWOEMS-PBEVGHANSA-N 0 0 475.452 6.691 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409217264 570173086 /nfs/dbraw/zinc/17/30/86/570173086.db2.gz ARUZEUOFCAEWEZ-RPPGKUMJSA-N 0 0 462.746 6.888 40 30 JKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000409217313 570173094 /nfs/dbraw/zinc/17/30/94/570173094.db2.gz OYGXGVVGYXNPOA-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1F ZINC000409217183 570173142 /nfs/dbraw/zinc/17/31/42/570173142.db2.gz NWQAGGBJNJKHCF-FLSMQFACSA-N 0 0 456.583 5.893 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409217597 570173208 /nfs/dbraw/zinc/17/32/08/570173208.db2.gz QLTCCTXICATLTR-CVKSISIWSA-N 0 0 483.362 5.625 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1 ZINC000409217595 570173218 /nfs/dbraw/zinc/17/32/18/570173218.db2.gz QLKSXXBUZKCEKG-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN O=C(COc1c(Br)cc(Br)cc1/C=N/c1ccccc1)Nc1ccccc1 ZINC000409217567 570173242 /nfs/dbraw/zinc/17/32/42/570173242.db2.gz QDFIGIMMOJWUFC-ZMOGYAJESA-N 0 0 488.179 5.980 40 30 JKEBRN Cc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409217984 570173352 /nfs/dbraw/zinc/17/33/52/570173352.db2.gz RXNOAEXEGPHVKC-MYNWXPLZSA-N 0 0 485.653 6.847 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409217785 570173365 /nfs/dbraw/zinc/17/33/65/570173365.db2.gz WOFVDVMRFXHKJH-AFUMVMLFSA-N 0 0 488.403 5.901 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000409217896 570173386 /nfs/dbraw/zinc/17/33/86/570173386.db2.gz YFCQKKNHAXIISA-KBKYJPHKSA-N 0 0 455.219 7.463 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Br)cc1O ZINC000409218096 570173473 /nfs/dbraw/zinc/17/34/73/570173473.db2.gz YMZGPXPSDZVRKB-DSKMXOTJSA-N 0 0 461.425 6.388 40 30 JKEBRN O=C(COc1ccccc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Nc1ccc(Cl)cc1 ZINC000409218508 570173562 /nfs/dbraw/zinc/17/35/62/570173562.db2.gz JFFAJDPOVUSXJU-UHFFFAOYSA-N 0 0 477.944 5.486 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409218623 570173606 /nfs/dbraw/zinc/17/36/06/570173606.db2.gz WILZZUAWPFZRSB-MTDXEUNCSA-N 0 0 477.969 6.959 40 30 JKEBRN COc1ccc(/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409218304 570173625 /nfs/dbraw/zinc/17/36/25/570173625.db2.gz HWEZNUGHJRNHEI-AFUMVMLFSA-N 0 0 487.337 5.946 40 30 JKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 ZINC000409218927 570173723 /nfs/dbraw/zinc/17/37/23/570173723.db2.gz LRKYRHBHOHHYGP-IKMQVZDESA-N 0 0 453.608 5.360 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409218920 570173746 /nfs/dbraw/zinc/17/37/46/570173746.db2.gz YKYNWUZSJUJFDQ-MZJWZYIUSA-N 0 0 456.355 6.933 40 30 JKEBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000409218845 570173753 /nfs/dbraw/zinc/17/37/53/570173753.db2.gz LIZKKODSCIUFIV-QFEZKATASA-N 0 0 484.533 5.065 40 30 JKEBRN FC(F)(F)C(F)(F)C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000263620208 570173777 /nfs/dbraw/zinc/17/37/77/570173777.db2.gz YSEKHPGNLMTZDB-UHFFFAOYSA-N 0 0 469.061 6.424 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409219506 570173821 /nfs/dbraw/zinc/17/38/21/570173821.db2.gz RFZFIQIKKVWFHF-MZJWZYIUSA-N 0 0 481.390 6.151 40 30 JKEBRN O=C(COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409219673 570173980 /nfs/dbraw/zinc/17/39/80/570173980.db2.gz OYXDHQKPGHKFEC-OPEKNORGSA-N 0 0 478.719 6.323 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000409220462 570174049 /nfs/dbraw/zinc/17/40/49/570174049.db2.gz AANHKLGQQPJXPR-LPYMAVHISA-N 0 0 479.945 6.027 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)S/C1=N/c1ccc(F)cc1 ZINC000409220706 570174149 /nfs/dbraw/zinc/17/41/49/570174149.db2.gz DQKWNDSOTKPKTD-FWJYUGCASA-N 0 0 482.580 7.182 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409221408 570174599 /nfs/dbraw/zinc/17/45/99/570174599.db2.gz PWWFBDDYOMLRST-SGFRRPFJSA-N 0 0 493.398 6.008 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409224459 570175529 /nfs/dbraw/zinc/17/55/29/570175529.db2.gz LPEYLSYWVMZOEE-UHFFFAOYSA-N 0 0 487.552 5.149 40 30 JKEBRN COCCCN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 ZINC000409224519 570175531 /nfs/dbraw/zinc/17/55/31/570175531.db2.gz IAYYWYYFJRTGGY-WAXYGJJXSA-N 0 0 499.611 6.469 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)o2)c(Br)c1 ZINC000409224998 570175710 /nfs/dbraw/zinc/17/57/10/570175710.db2.gz LKTYCYXLKKHXGE-MTJSOVHGSA-N 0 0 467.388 6.526 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCC(=O)Nc2ccc(C)cc2)C2=C1CCCC2=O ZINC000409224969 570175743 /nfs/dbraw/zinc/17/57/43/570175743.db2.gz ONRNFIJVSGWLAX-UHFFFAOYSA-N 0 0 484.596 5.446 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409225723 570175783 /nfs/dbraw/zinc/17/57/83/570175783.db2.gz KMVJMFYNKHXHPV-XQRPCZOOSA-N 0 0 493.535 5.606 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409225709 570175882 /nfs/dbraw/zinc/17/58/82/570175882.db2.gz ODIPABQXKAXVDF-VULFUBBASA-N 0 0 467.909 5.723 40 30 JKEBRN CCN1C2=C(C(=O)CCC2)C(c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)C2=C1CCCC2=O ZINC000409226046 570175958 /nfs/dbraw/zinc/17/59/58/570175958.db2.gz RNOSYGXWCMGIDG-UHFFFAOYSA-N 0 0 484.596 5.446 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409226260 570175964 /nfs/dbraw/zinc/17/59/64/570175964.db2.gz MKIMCUCGZZKDOI-LFVJCYFKSA-N 0 0 456.542 5.459 40 30 JKEBRN CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c2ccccc21 ZINC000409226489 570176046 /nfs/dbraw/zinc/17/60/46/570176046.db2.gz TVNONWVLEXBVTO-JUXURWKPSA-N 0 0 459.549 5.196 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)o2)cc1[N+](=O)[O-] ZINC000409227848 570176423 /nfs/dbraw/zinc/17/64/23/570176423.db2.gz RXBKBSOOVYPHPO-RGVLZGJSSA-N 0 0 453.907 6.017 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccccc1Cl ZINC000409228322 570176627 /nfs/dbraw/zinc/17/66/27/570176627.db2.gz XHHJOYDINLLGAV-CIAFOILYSA-N 0 0 456.398 6.601 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409228559 570176768 /nfs/dbraw/zinc/17/67/68/570176768.db2.gz BNZMRHZRIBJTBO-OYPKHVMMSA-N 0 0 460.983 5.768 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409228858 570176833 /nfs/dbraw/zinc/17/68/33/570176833.db2.gz GBLFLCKNFRFBHQ-WGOQTCKBSA-N 0 0 482.580 5.712 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409228829 570176902 /nfs/dbraw/zinc/17/69/02/570176902.db2.gz FSRPFZWQCGCZOU-SHXKHAJYSA-N 0 0 489.572 5.776 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409229185 570176987 /nfs/dbraw/zinc/17/69/87/570176987.db2.gz KWLNFOOGCAUEBQ-QCJXNBJVSA-N 0 0 473.381 6.886 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N/c1ccc(F)cc1 ZINC000409229948 570177260 /nfs/dbraw/zinc/17/72/60/570177260.db2.gz BAERFOWKNIHVNX-FYCBZXFJSA-N 0 0 451.479 5.926 40 30 JKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4I)ccc32)c1 ZINC000409231293 570177775 /nfs/dbraw/zinc/17/77/75/570177775.db2.gz JRNMUPWWQAUNRD-AFUMVMLFSA-N 0 0 454.286 6.184 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)S/C1=N/c1ccc(F)cc1 ZINC000409231056 570177805 /nfs/dbraw/zinc/17/78/05/570177805.db2.gz BAKLAOUVOPOMBE-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc32)S1 ZINC000409231498 570177989 /nfs/dbraw/zinc/17/79/89/570177989.db2.gz JKBXDPAAXAOWPF-WGOQTCKBSA-N 0 0 485.008 7.272 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)o1 ZINC000409231844 570178008 /nfs/dbraw/zinc/17/80/08/570178008.db2.gz MVBRLBSPAVJGOO-UDWIEESQSA-N 0 0 452.919 5.587 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1C ZINC000409231846 570178016 /nfs/dbraw/zinc/17/80/16/570178016.db2.gz KZMFEEIIXBQEJU-SSDVNMTOSA-N 0 0 496.976 5.864 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)S1 ZINC000409231925 570178122 /nfs/dbraw/zinc/17/81/22/570178122.db2.gz GCMYLTMAQLVGDP-ZMOGYAJESA-N 0 0 475.976 6.682 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)S1 ZINC000409231891 570178172 /nfs/dbraw/zinc/17/81/72/570178172.db2.gz LOXVEESASQBVFN-ZVHZXABRSA-N 0 0 457.986 6.543 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409232724 570178467 /nfs/dbraw/zinc/17/84/67/570178467.db2.gz BQHYXPMIGQUDMI-WPWMEQJKSA-N 0 0 496.607 6.103 40 30 JKEBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409233062 570178514 /nfs/dbraw/zinc/17/85/14/570178514.db2.gz DBRUFSQHIMFYGX-GGNNGZDKSA-N 0 0 485.609 5.336 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409233322 570178707 /nfs/dbraw/zinc/17/87/07/570178707.db2.gz FNFOTIZSFQBQTC-AOFZEWBLSA-N 0 0 479.001 6.552 40 30 JKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)c1 ZINC000409233684 570178776 /nfs/dbraw/zinc/17/87/76/570178776.db2.gz HHLMWVWFMUWQCA-MFKUBSTISA-N 0 0 455.558 6.337 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000409233567 570178778 /nfs/dbraw/zinc/17/87/78/570178778.db2.gz GIRWSGWHPHDCNT-KBCCKEIDSA-N 0 0 485.584 6.461 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)ccc1OCc1ccccc1 ZINC000409233942 570178903 /nfs/dbraw/zinc/17/89/03/570178903.db2.gz ISUVYFSAVDFQIY-CXJLONCNSA-N 0 0 488.609 6.297 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409233958 570178916 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570191436 /nfs/dbraw/zinc/19/14/36/570191436.db2.gz NCSKECKILOUZFP-UHFFFAOYSA-N 0 0 485.338 5.006 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(Br)s1 ZINC000409281702 570191453 /nfs/dbraw/zinc/19/14/53/570191453.db2.gz LMAGHAHAWFNQSV-UHFFFAOYSA-N 0 0 484.762 6.169 40 30 JKEBRN O=c1c2ccccc2nc(-c2cc3cc(Br)ccc3o2)n1N=Cc1ccc(Cl)cc1 ZINC000409281962 570191455 /nfs/dbraw/zinc/19/14/55/570191455.db2.gz NPUPMAWMVGFNEL-UHFFFAOYSA-N 0 0 478.733 6.108 40 30 JKEBRN COC(=O)c1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c3ccccc32)c1 ZINC000408540703 570191479 /nfs/dbraw/zinc/19/14/79/570191479.db2.gz AZNKYCCIHXRYHN-MYYYXRDXSA-N 0 0 481.577 5.676 40 30 JKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(Br)c(C)c3)c3ccccc32)c1 ZINC000408540678 570191516 /nfs/dbraw/zinc/19/15/16/570191516.db2.gz AXMPFGDENAZDQO-MZJWZYIUSA-N 0 0 461.359 6.298 40 30 JKEBRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409282396 570191569 /nfs/dbraw/zinc/19/15/69/570191569.db2.gz 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5.611 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)SC1=S ZINC000408574304 570205430 /nfs/dbraw/zinc/20/54/30/570205430.db2.gz LPHSKNNNIHCOGT-HMAPJEAMSA-N 0 0 482.627 5.107 40 30 JKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408575301 570205653 /nfs/dbraw/zinc/20/56/53/570205653.db2.gz JKBZNNMPXWGFJG-UHFFFAOYSA-N 0 0 482.319 5.482 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3C#N)cc2)n1-c1ccc(C)c(C)c1 ZINC000408576126 570205843 /nfs/dbraw/zinc/20/58/43/570205843.db2.gz XJHJLXYAXZXVKD-AREMUKBSSA-N 0 0 499.596 5.753 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408576096 570205862 /nfs/dbraw/zinc/20/58/62/570205862.db2.gz RNPYBHBLKVBDBX-UHFFFAOYSA-N 0 0 496.346 5.872 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000408576510 570205967 /nfs/dbraw/zinc/20/59/67/570205967.db2.gz VGJPDBVSWGJTPA-UHFFFAOYSA-N 0 0 455.510 5.182 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)SC1=S ZINC000408577179 570206099 /nfs/dbraw/zinc/20/60/99/570206099.db2.gz RPWUTVJDWCBRSY-UNOMPAQXSA-N 0 0 458.992 5.053 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S ZINC000408577830 570206180 /nfs/dbraw/zinc/20/61/80/570206180.db2.gz UPGFJHJTNVMEPA-LSCVHKIXSA-N 0 0 479.410 5.398 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S ZINC000408578564 570206380 /nfs/dbraw/zinc/20/63/80/570206380.db2.gz YUVSZKRNPFDBNA-JAIQZWGSSA-N 0 0 489.018 5.062 40 30 JKEBRN N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000408580488 570206551 /nfs/dbraw/zinc/20/65/51/570206551.db2.gz BXXKQMOOVRMCSF-UHFFFAOYSA-N 0 0 493.308 5.527 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)sc2C1 ZINC000408580587 570206625 /nfs/dbraw/zinc/20/66/25/570206625.db2.gz CTNJKOZDKHGXDE-INIZCTEOSA-N 0 0 465.648 5.677 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3NC(C)=O)sc2C1 ZINC000408583572 570207332 /nfs/dbraw/zinc/20/73/32/570207332.db2.gz VMJLQUDCHHUQCC-INIZCTEOSA-N 0 0 455.649 5.850 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(I)c2)cc1 ZINC000408586214 570208117 /nfs/dbraw/zinc/20/81/17/570208117.db2.gz LYPAAAJDDDSQHM-UHFFFAOYSA-N 0 0 451.348 6.283 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccc(F)cc1 ZINC000408587031 570208275 /nfs/dbraw/zinc/20/82/75/570208275.db2.gz DQLKRZKVMUQZOR-HNSNBQBZSA-N 0 0 459.524 7.783 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F ZINC000408587690 570208378 /nfs/dbraw/zinc/20/83/78/570208378.db2.gz ACTFGIDWGHICJA-BRJLIKDPSA-N 0 0 489.297 5.635 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 ZINC000408587767 570208400 /nfs/dbraw/zinc/20/84/00/570208400.db2.gz AFIQHMNUHMEASG-VULFUBBASA-N 0 0 454.910 6.085 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408587960 570208444 /nfs/dbraw/zinc/20/84/44/570208444.db2.gz ASJPQCCWMZYRDQ-OPEKNORGSA-N 0 0 465.720 6.685 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000408588274 570208510 /nfs/dbraw/zinc/20/85/10/570208510.db2.gz IUDQHQSSEXBSER-IEFLJDMPSA-N 0 0 485.587 5.629 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(F)c1 ZINC000408588571 570208575 /nfs/dbraw/zinc/20/85/75/570208575.db2.gz BWXVTSIZILUTJC-BRJLIKDPSA-N 0 0 489.297 5.635 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccc(C)cc1 ZINC000408588381 570208583 /nfs/dbraw/zinc/20/85/83/570208583.db2.gz JBXCOYVHXMFUPP-FMFFXOCNSA-N 0 0 455.561 7.952 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408589184 570208709 /nfs/dbraw/zinc/20/87/09/570208709.db2.gz DEJZEUDMDHFAMI-FJEPWZHXSA-N 0 0 461.348 7.148 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(I)cc2)c1 ZINC000408588971 570208718 /nfs/dbraw/zinc/20/87/18/570208718.db2.gz CLLQQCIZZNDOQI-YDZHTSKRSA-N 0 0 488.281 5.329 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408589668 570208860 /nfs/dbraw/zinc/20/88/60/570208860.db2.gz FJEPFWQJZPIGSY-WYMPLXKRSA-N 0 0 471.853 5.295 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1 ZINC000408591172 570209211 /nfs/dbraw/zinc/20/92/11/570209211.db2.gz IUNVTYZZWGAADL-ZMOGYAJESA-N 0 0 471.307 5.496 40 30 JKEBRN N#Cc1ccccc1COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408592303 570209417 /nfs/dbraw/zinc/20/94/17/570209417.db2.gz MBRHRXCSIORUFN-DHRITJCHSA-N 0 0 466.291 5.359 40 30 JKEBRN C=CCOc1cccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)c1 ZINC000408592664 570209515 /nfs/dbraw/zinc/20/95/15/570209515.db2.gz ZZJPXGFVPLBLIY-ZCTHSVRISA-N 0 0 464.521 6.818 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1 ZINC000408592597 570209523 /nfs/dbraw/zinc/20/95/23/570209523.db2.gz MUSXIJMXTPJUCY-WYMPLXKRSA-N 0 0 475.726 6.140 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408592767 570209541 /nfs/dbraw/zinc/20/95/41/570209541.db2.gz NUBCSRLKMOEQHS-LGJNPRDNSA-N 0 0 483.908 5.133 40 30 JKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000408593053 570209624 /nfs/dbraw/zinc/20/96/24/570209624.db2.gz OOGGWTCERGPPBQ-RWPZCVJISA-N 0 0 476.916 6.540 40 30 JKEBRN Cc1cccc(COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Br)c1 ZINC000408593493 570209782 /nfs/dbraw/zinc/20/97/82/570209782.db2.gz PZIXLNVQCKUQEL-ZMOGYAJESA-N 0 0 455.308 5.795 40 30 JKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F ZINC000408593458 570209794 /nfs/dbraw/zinc/20/97/94/570209794.db2.gz PPXWDDRPYHKOEW-LGJNPRDNSA-N 0 0 458.873 5.916 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000008952058 290670149 /nfs/dbraw/zinc/67/01/49/290670149.db2.gz ODSSDTBFHAYYMD-OZDORTEPSA-N 0 0 468.766 8.596 40 30 biogenic JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C/C(=N\O)[C@]2(O)C1 ZINC000008382503 290684523 /nfs/dbraw/zinc/68/45/23/290684523.db2.gz QGVHVXRQEBXHEC-UMUGESITSA-N 0 0 475.714 6.594 40 30 biogenic,in-vitro JKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C/C(=N\O)[C@]2(O)C1 ZINC000013423862 290684527 /nfs/dbraw/zinc/68/45/27/290684527.db2.gz QGVHVXRQEBXHEC-LTBHDILFSA-N 0 0 475.714 6.594 40 30 biogenic,in-vitro JKEBRN CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\c1ccc(O)cc1 ZINC000095911991 291579361 /nfs/dbraw/zinc/57/93/61/291579361.db2.gz PHDAMXFKBIUHBU-PNHLSOANSA-N 0 0 472.754 9.771 40 30 biogenic,in-vitro JKEBRN COc1cccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCc3ccc(C#N)cc3)C[C@H]2C(C)C)c1 ZINC000030881993 291592296 /nfs/dbraw/zinc/59/22/96/291592296.db2.gz SVXNUJZDPRSFLP-DPZBCOQUSA-N 0 0 488.632 5.249 40 30 biogenic,in-vitro JKEBRN CCOP(=O)(OCC)[C@@H](Cc1ccc(OC)c(OC)c1)N=C(c1ccccc1)c1ccccc1 ZINC000001643257 194130214 /nfs/dbraw/zinc/13/02/14/194130214.db2.gz BNLONRUWFBDFIE-SANMLTNESA-N 0 0 481.529 6.376 40 30 JKEBRN COc1cc(/C=C/C2=C(C)C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C)cc(OC)c1OC ZINC000001564035 194128151 /nfs/dbraw/zinc/12/81/51/194128151.db2.gz UDIFTLVOIXXUQC-MJJPEQRRSA-N 0 0 482.573 5.461 40 30 JKEBRN Cc1ccc(S(=O)(=O)O[C@H](c2ccc(Cl)cc2Cl)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000001635310 194129983 /nfs/dbraw/zinc/12/99/83/194129983.db2.gz SIEHHOUPNOKFPY-LEWJYISDSA-N 0 0 463.338 5.660 40 30 JKEBRN CCCN(C(=O)c1ccccc1)[C@@H](C#N)c1ccc([C@H](C#N)N(CCC)C(=O)c2ccccc2)cc1 ZINC000001647941 194130457 /nfs/dbraw/zinc/13/04/57/194130457.db2.gz OFOKBZWIWDQVOD-NSOVKSMOSA-N 0 0 478.596 5.921 40 30 JKEBRN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000001771073 194136683 /nfs/dbraw/zinc/13/66/83/194136683.db2.gz KRGZDSOTIUNKNZ-CRVDFBCUSA-N 0 0 493.028 6.637 40 30 JKEBRN CCOC(=O)c1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C#N)cc1 ZINC000001735459 194132487 /nfs/dbraw/zinc/13/24/87/194132487.db2.gz HKWFRRXKDSRFBN-UHFFFAOYSA-N 0 0 470.348 5.116 40 30 JKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001862672 194150906 /nfs/dbraw/zinc/15/09/06/194150906.db2.gz QMTRFLIXQJTXKF-RWEWTDSWSA-N 0 0 471.413 5.740 40 30 JKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002677048 194163376 /nfs/dbraw/zinc/16/33/76/194163376.db2.gz QMTRFLIXQJTXKF-UHFFFAOYSA-O 0 0 472.421 5.737 40 30 JKEBRN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1Cl ZINC000003027545 194211987 /nfs/dbraw/zinc/21/19/87/194211987.db2.gz XFTKWQVVMKDKOP-BRJLIKDPSA-N 0 0 473.157 6.015 40 30 JKEBRN COc1ccc([C@@H]2C(c3nc(-c4ccccc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073420 194224376 /nfs/dbraw/zinc/22/43/76/194224376.db2.gz OQVFPMXQDOMWMA-QFIPXVFZSA-N 0 0 458.583 5.903 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(Cl)cc1 ZINC000003146078 194231940 /nfs/dbraw/zinc/23/19/40/194231940.db2.gz UZAKSXSCDTVMHD-STBIYBPSSA-N 0 0 452.897 7.118 40 30 JKEBRN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)cc1)c1ccc(Cl)cc1 ZINC000003146083 194231974 /nfs/dbraw/zinc/23/19/74/194231974.db2.gz GHRKCNAJWYEGHK-OKCVXOCRSA-N 0 0 470.887 7.257 40 30 JKEBRN COc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5ccccc54)ccc3o2)cc1Br ZINC000003146254 194232018 /nfs/dbraw/zinc/23/20/18/194232018.db2.gz RKBKPYAPSFUQKH-MZJWZYIUSA-N 0 0 473.326 6.875 40 30 JKEBRN Fc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)c(Cl)c1 ZINC000003113561 194227332 /nfs/dbraw/zinc/22/73/32/194227332.db2.gz UMVPAZQOSVHRLE-XKJRVUDJSA-N 0 0 485.729 8.605 40 30 JKEBRN CCOc1ccc(Br)c(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1O ZINC000003208182 194239410 /nfs/dbraw/zinc/23/94/10/194239410.db2.gz WRDXCGSYYORDNV-DHRITJCHSA-N 0 0 451.320 6.421 40 30 JKEBRN Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)o2)cc1Cl ZINC000003206126 194238997 /nfs/dbraw/zinc/23/89/97/194238997.db2.gz FXXMFDIQNSYVEH-UHFFFAOYSA-N 0 0 464.989 7.309 40 30 JKEBRN COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000003341139 194290498 /nfs/dbraw/zinc/29/04/98/194290498.db2.gz JMZNBAZKECZXOF-MZJWZYIUSA-N 0 0 453.922 5.690 40 30 JKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1C ZINC000004083574 194376339 /nfs/dbraw/zinc/37/63/39/194376339.db2.gz YSBDLDHCBCHIJQ-SRZZPIQSSA-N 0 0 466.494 5.042 40 30 JKEBRN O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](C(=NNc2ccccc2)c2ccccc2)c2ccccc2)cc1Cl ZINC000004265522 194386764 /nfs/dbraw/zinc/38/67/64/194386764.db2.gz XXNAKTXODGMKEG-XLPMDEKGSA-N 0 0 486.915 6.805 40 30 JKEBRN c1ccc(CC(=NNc2cccc(NN=C(Cc3ccccc3)c3ccccc3)c2)c2ccccc2)cc1 ZINC000004265992 194386830 /nfs/dbraw/zinc/38/68/30/194386830.db2.gz MKMKJYVPJSNAHN-YEQLPCBTSA-N 0 0 494.642 7.804 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccc(I)cc2)c2ccccc2)cc1 ZINC000004556591 194392309 /nfs/dbraw/zinc/39/23/09/194392309.db2.gz FVFWUNAWQMROIF-JFQCYVCTSA-N 0 0 471.258 5.757 40 30 JKEBRN COc1ccc(NC(=O)[C@@H]2CCCCN2/N=C/c2c(Cl)cccc2Cl)cc1OCC(C)C ZINC000006134858 194413236 /nfs/dbraw/zinc/41/32/36/194413236.db2.gz AWYOAOULKFKROY-XYGFXTTESA-N 0 0 478.420 5.864 40 30 JKEBRN O=C(/C=C/c1ccccc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1Cl ZINC000006446336 194427332 /nfs/dbraw/zinc/42/73/32/194427332.db2.gz JYLHTEKOZBGBRF-JLHYYAGUSA-N 0 0 464.746 6.507 40 30 JKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000008901321 194492598 /nfs/dbraw/zinc/49/25/98/194492598.db2.gz YLNARFVUBZMHSS-RMKNXTFCSA-N 0 0 475.353 6.324 40 30 JKEBRN Cc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000012600753 195046101 /nfs/dbraw/zinc/04/61/01/195046101.db2.gz YXXFAHURDHREFZ-WYMPLXKRSA-N 0 0 493.372 5.765 40 30 JKEBRN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000012600920 195046277 /nfs/dbraw/zinc/04/62/77/195046277.db2.gz LWNFMBVGGLGJHQ-QNEJGDQOSA-N 0 0 492.560 6.920 40 30 JKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5cccs5)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000012660266 195080102 /nfs/dbraw/zinc/08/01/02/195080102.db2.gz ILBQPUONEWYHNJ-ZXFFXFQRSA-N 0 0 456.652 5.061 40 30 JKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCc1cccs1 ZINC000012660379 195080465 /nfs/dbraw/zinc/08/04/65/195080465.db2.gz GHNHRYJACXZOME-YPZLOKHQSA-N 0 0 483.674 5.588 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020761381 195217816 /nfs/dbraw/zinc/21/78/16/195217816.db2.gz MJVBYVDRFYWNJC-DHRITJCHSA-N 0 0 459.771 5.814 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000020761491 195217920 /nfs/dbraw/zinc/21/79/20/195217920.db2.gz HSUSGWWJMAVEDQ-AFUMVMLFSA-N 0 0 455.352 5.169 40 30 JKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000020761396 195217956 /nfs/dbraw/zinc/21/79/56/195217956.db2.gz SDYYRRXQWOAYPF-ZMOGYAJESA-N 0 0 470.323 5.069 40 30 JKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000020762179 195218577 /nfs/dbraw/zinc/21/85/77/195218577.db2.gz RTVTZVXSUHMLLV-WKULSOCRSA-N 0 0 452.385 6.437 40 30 JKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2ccc(I)cc2)c1 ZINC000020762914 195218906 /nfs/dbraw/zinc/21/89/06/195218906.db2.gz BLSCRIBDHGWUIT-ZVHZXABRSA-N 0 0 472.326 5.003 40 30 JKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 ZINC000020763555 195219554 /nfs/dbraw/zinc/21/95/54/195219554.db2.gz YVHBHMUKZYSTMV-LQKURTRISA-N 0 0 462.391 5.893 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)SC1=S ZINC000058822133 195380393 /nfs/dbraw/zinc/38/03/93/195380393.db2.gz DNOSHMUMGPJDQE-UDWIEESQSA-N 0 0 480.438 6.358 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccco3)CCCC4)o2)cc1[N+](=O)[O-] ZINC000058826494 195380651 /nfs/dbraw/zinc/38/06/51/195380651.db2.gz RVHXCROEXDIOGF-MBTHVWNTSA-N 0 0 489.553 6.377 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 ZINC000058826688 195380797 /nfs/dbraw/zinc/38/07/97/195380797.db2.gz LNKCUKOXACJOTB-NUJZUDFISA-N 0 0 499.419 7.467 40 30 JKEBRN COC(=O)c1cccc(/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc32)c1 ZINC000058871797 195385954 /nfs/dbraw/zinc/38/59/54/195385954.db2.gz CTNKSYGUPKFZMA-OKCVXOCRSA-N 0 0 499.975 7.464 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000058962552 195386500 /nfs/dbraw/zinc/38/65/00/195386500.db2.gz PYYMXPXRIXAUCE-UHFFFAOYSA-N 0 0 488.580 6.524 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000059102801 195387442 /nfs/dbraw/zinc/38/74/42/195387442.db2.gz QAGDPQLQMNKHKF-MUUNZHRXSA-N 0 0 491.672 7.503 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000059102820 195387489 /nfs/dbraw/zinc/38/74/89/195387489.db2.gz SGUGBRCQTQUDQU-MHZLTWQESA-N 0 0 495.635 7.334 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000059102902 195387749 /nfs/dbraw/zinc/38/77/49/195387749.db2.gz ILYAFRKAFLQDCH-SANMLTNESA-N 0 0 478.633 6.589 40 30 JKEBRN CCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 ZINC000059102916 195387786 /nfs/dbraw/zinc/38/77/86/195387786.db2.gz UMPBTSNVVCQKPN-MHZLTWQESA-N 0 0 493.644 6.900 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3cn(C(C)C)c4ccccc34)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104503 195387996 /nfs/dbraw/zinc/38/79/96/195387996.db2.gz XYAHJSPIVAZECG-ZDBHGGSHSA-N 0 0 493.676 8.156 40 30 JKEBRN Cc1c(Br)c(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccccc1 ZINC000059104963 195388227 /nfs/dbraw/zinc/38/82/27/195388227.db2.gz ROQXQUKLKFGUJD-BKUYFWCQSA-N 0 0 480.431 6.365 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1CC ZINC000059104916 195388267 /nfs/dbraw/zinc/38/82/67/195388267.db2.gz KTBSBEZNBLVJOV-HSVKZCTASA-N 0 0 453.366 6.024 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N1CC ZINC000059104941 195388269 /nfs/dbraw/zinc/38/82/69/195388269.db2.gz OKBBBINKACNYOC-TVNBHEQGSA-N 0 0 493.398 5.488 40 30 JKEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)S2)cc1 ZINC000059104865 195388303 /nfs/dbraw/zinc/38/83/03/195388303.db2.gz RLTMIGHOBVAPIL-JLPGSUDCSA-N 0 0 459.615 6.255 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)C(=O)N1CC ZINC000059105239 195388636 /nfs/dbraw/zinc/38/86/36/195388636.db2.gz VSSZNLYGCQLAGE-XHOZKXSISA-N 0 0 489.435 5.657 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059105729 195388706 /nfs/dbraw/zinc/38/87/06/195388706.db2.gz PGQWPOQYAICPKB-LPYMAVHISA-N 0 0 479.489 5.213 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000059105703 195388731 /nfs/dbraw/zinc/38/87/31/195388731.db2.gz YSRWHERXIJLVLH-JMIUGGIZSA-N 0 0 460.361 6.432 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl ZINC000059105871 195388738 /nfs/dbraw/zinc/38/87/38/195388738.db2.gz MTXVXTITTHPPFH-SRZZPIQSSA-N 0 0 498.366 6.475 40 30 JKEBRN Cc1c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000059105834 195388756 /nfs/dbraw/zinc/38/87/56/195388756.db2.gz YNJVDRWLRMZEBN-ZVHZXABRSA-N 0 0 486.528 5.937 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC ZINC000059105702 195388761 /nfs/dbraw/zinc/38/87/61/195388761.db2.gz KMAJVZIUYSOSFO-GZTJUZNOSA-N 0 0 463.328 5.053 40 30 JKEBRN COc1c(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000059105718 195388775 /nfs/dbraw/zinc/38/87/75/195388775.db2.gz OENPZKSCDYYGDH-RIYZIHGNSA-N 0 0 486.160 5.251 40 30 JKEBRN Cc1cccc(COc2c(Cl)cc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2Cl)c1 ZINC000059105870 195388782 /nfs/dbraw/zinc/38/87/82/195388782.db2.gz ZSGAFDQATYPALM-CIAFOILYSA-N 0 0 487.383 6.912 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000059105863 195388793 /nfs/dbraw/zinc/38/87/93/195388793.db2.gz CXQGSDGTATXKMN-UDWIEESQSA-N 0 0 473.356 6.603 40 30 JKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000059105866 195388803 /nfs/dbraw/zinc/38/88/03/195388803.db2.gz PKUIRYPAYLLVKY-RGVLZGJSSA-N 0 0 491.346 6.742 40 30 JKEBRN CCOc1cc(OCC)c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000059106001 195388926 /nfs/dbraw/zinc/38/89/26/195388926.db2.gz NUPVLOQDCLHSNZ-VCHYOVAHSA-N 0 0 465.344 5.277 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000059105906 195388989 /nfs/dbraw/zinc/38/89/89/195388989.db2.gz UOWVEGWLFDBOOZ-WSDLNYQXSA-N 0 0 493.947 5.830 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1Br ZINC000059105951 195389035 /nfs/dbraw/zinc/38/90/35/195389035.db2.gz NUDDDXGXWUIMAU-UDWIEESQSA-N 0 0 470.367 5.887 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137118 195391759 /nfs/dbraw/zinc/39/17/59/195391759.db2.gz INKFNGHVAUGYHF-MTJSOVHGSA-N 0 0 484.394 6.196 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000059176521 195393535 /nfs/dbraw/zinc/39/35/35/195393535.db2.gz LTCRBTZDYKAYGL-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000059176593 195393589 /nfs/dbraw/zinc/39/35/89/195393589.db2.gz BVRDTHVMTIEECZ-UHFFFAOYSA-N 0 0 472.408 5.397 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000059176562 195393612 /nfs/dbraw/zinc/39/36/12/195393612.db2.gz UOCVVCMCHSUTOO-UHFFFAOYSA-N 0 0 450.608 5.316 40 30 JKEBRN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc21 ZINC000059193523 195393963 /nfs/dbraw/zinc/39/39/63/195393963.db2.gz XYRMZWIFHWQYFA-UHFFFAOYSA-N 0 0 493.603 6.519 40 30 JKEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc21 ZINC000059193525 195393987 /nfs/dbraw/zinc/39/39/87/195393987.db2.gz FLXJOZNZNIVEFS-UHFFFAOYSA-N 0 0 479.576 6.128 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059193644 195394026 /nfs/dbraw/zinc/39/40/26/195394026.db2.gz JFYJQQDXNPBXCO-AFUMVMLFSA-N 0 0 474.498 5.392 40 30 JKEBRN Clc1ccc(COc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)c(Cl)c1 ZINC000059193594 195394097 /nfs/dbraw/zinc/39/40/97/195394097.db2.gz QPMNNWIKIHTSNZ-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000059194492 195394222 /nfs/dbraw/zinc/39/42/22/195394222.db2.gz AVFSNTIMZQQJQA-ZMOGYAJESA-N 0 0 482.359 5.733 40 30 JKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000059194432 195394229 /nfs/dbraw/zinc/39/42/29/195394229.db2.gz XPQJXBIPEDEWHG-BRJLIKDPSA-N 0 0 472.353 6.277 40 30 JKEBRN COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059223939 195395069 /nfs/dbraw/zinc/39/50/69/195395069.db2.gz KDXXIDMEVMMERA-ZVHZXABRSA-N 0 0 489.553 5.691 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000059224141 195395185 /nfs/dbraw/zinc/39/51/85/195395185.db2.gz CNXXZZDQOGTKLE-GRSHGNNSSA-N 0 0 463.773 7.107 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000059224197 195395200 /nfs/dbraw/zinc/39/52/00/195395200.db2.gz BQCWJTITAWKPOB-UUYOSTAYSA-N 0 0 479.945 6.027 40 30 JKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000059247876 195395576 /nfs/dbraw/zinc/39/55/76/195395576.db2.gz GCWIFRRTQJNPHA-FOKLQQMPSA-N 0 0 464.768 6.692 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Sc3ccccc3)o2)sc2c1CCCC2 ZINC000059245891 195395595 /nfs/dbraw/zinc/39/55/95/195395595.db2.gz HTDAHZIDBDSQKK-WPWMEQJKSA-N 0 0 458.608 7.374 40 30 JKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000059245892 195395683 /nfs/dbraw/zinc/39/56/83/195395683.db2.gz FBXNMWLDPKDUAC-LQKURTRISA-N 0 0 493.053 8.027 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000059248085 195395859 /nfs/dbraw/zinc/39/58/59/195395859.db2.gz XGCDVBIZNIOUIP-WVPXGCSDSA-N 0 0 471.829 6.159 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059250376 195396442 /nfs/dbraw/zinc/39/64/42/195396442.db2.gz GHMWSOHMVZOZHP-FDAWAROLSA-N 0 0 481.665 7.654 40 30 JKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059303280 195397272 /nfs/dbraw/zinc/39/72/72/195397272.db2.gz XYOUSXBRKFVVAW-AFUMVMLFSA-N 0 0 492.822 7.554 40 30 JKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C ZINC000059303109 195397382 /nfs/dbraw/zinc/39/73/82/195397382.db2.gz OGPSVMIOHBELIX-FDAWAROLSA-N 0 0 497.664 7.354 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)C(=O)N1CC ZINC000059396129 195398475 /nfs/dbraw/zinc/39/84/75/195398475.db2.gz SNGFELKETUEBJC-OFSJXLMGSA-N 0 0 469.994 5.501 40 30 JKEBRN Clc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 ZINC000059387406 195398597 /nfs/dbraw/zinc/39/85/97/195398597.db2.gz JUTIVYLEXJXHER-LGJNPRDNSA-N 0 0 454.382 7.142 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c([N+](=O)[O-])c1 ZINC000059399040 195398901 /nfs/dbraw/zinc/39/89/01/195398901.db2.gz RHGZYQDYEFEGKM-FOKLQQMPSA-N 0 0 461.261 5.835 40 30 JKEBRN CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000059415301 195399386 /nfs/dbraw/zinc/39/93/86/195399386.db2.gz GCGPCCBFTOUOSH-MPOKNQLQSA-N 0 0 468.770 7.802 40 30 JKEBRN COc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059425589 195401309 /nfs/dbraw/zinc/40/13/09/195401309.db2.gz RTKNLUPLOXMMIR-LGJNPRDNSA-N 0 0 484.364 7.451 40 30 JKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000059427524 195401558 /nfs/dbraw/zinc/40/15/58/195401558.db2.gz ZZRMCSAZUPJIGD-AJBULDERSA-N 0 0 492.966 7.819 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Br)cc2)o1)CCCC3 ZINC000059433802 195402010 /nfs/dbraw/zinc/40/20/10/195402010.db2.gz IEGSNQDWJSSGFE-BHGWPJFGSA-N 0 0 454.349 5.242 40 30 JKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)c(C)c1 ZINC000059459414 195403051 /nfs/dbraw/zinc/40/30/51/195403051.db2.gz PRAXZDUAEVCGRM-JAIQZWGSSA-N 0 0 453.907 6.017 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)NC[C@H]1CCCO1 ZINC000059474858 195404207 /nfs/dbraw/zinc/40/42/07/195404207.db2.gz AJGLZVBDLQBROR-TVSCDJBNSA-N 0 0 490.448 5.197 40 30 JKEBRN CCCOc1c(Br)cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1OC ZINC000059474910 195404300 /nfs/dbraw/zinc/40/43/00/195404300.db2.gz QPDZEQVQKKHXHP-UVHMKAGCSA-N 0 0 493.357 5.128 40 30 JKEBRN O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059475477 195404729 /nfs/dbraw/zinc/40/47/29/195404729.db2.gz GVKZBSSSSYNMON-UHFFFAOYSA-N 0 0 474.716 5.799 40 30 JKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000059483071 195405045 /nfs/dbraw/zinc/40/50/45/195405045.db2.gz SXUHXXQHHTXVHW-BKUYFWCQSA-N 0 0 468.336 6.316 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccc(C)cc2)ccc1Oc1ccccc1 ZINC000059488284 195406557 /nfs/dbraw/zinc/40/65/57/195406557.db2.gz WIQNMAXJCCPDBJ-UZWMFBFFSA-N 0 0 493.994 8.053 40 30 JKEBRN Cc1nnc(SCc2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C ZINC000059489974 195407766 /nfs/dbraw/zinc/40/77/66/195407766.db2.gz TXKKSUYQZWMXJP-VULFUBBASA-N 0 0 480.638 5.788 40 30 JKEBRN O=C(Oc1ccccc1/C=N/c1ccc(Br)cc1)c1sc2ccccc2c1Cl ZINC000059500712 195408067 /nfs/dbraw/zinc/40/80/67/195408067.db2.gz SNWKWBIGYQPEPZ-DHRITJCHSA-N 0 0 470.775 7.287 40 30 JKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000059515274 195408730 /nfs/dbraw/zinc/40/87/30/195408730.db2.gz KFSKRPXZERQPRM-FDAWAROLSA-N 0 0 473.488 7.713 40 30 JKEBRN CCOc1c(Br)cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc1OC ZINC000059533527 195409077 /nfs/dbraw/zinc/40/90/77/195409077.db2.gz UQVVSFYEUQSDOT-ODLFYWEKSA-N 0 0 475.408 5.233 40 30 JKEBRN COc1cc(C=NNc2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000059536242 195409414 /nfs/dbraw/zinc/40/94/14/195409414.db2.gz VQCVIRNUCJOGSZ-JVWAILMASA-N 0 0 461.359 6.636 40 30 JKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000059720506 195411882 /nfs/dbraw/zinc/41/18/82/195411882.db2.gz 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ZINC000016216047 523465062 /nfs/dbraw/zinc/46/50/62/523465062.db2.gz WMWVERRYJZGNTL-QNKGDIEWSA-N 0 0 471.560 6.669 40 30 JKEBRN COc1ccc(Br)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O ZINC000003140550 523478348 /nfs/dbraw/zinc/47/83/48/523478348.db2.gz XWXXEPTZGQOVIM-BHGWPJFGSA-N 0 0 457.711 6.376 40 30 JKEBRN COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(OC(C)=O)c(OC)c1)c1c(ccc3ccccc31)N2 ZINC000014945097 523669747 /nfs/dbraw/zinc/66/97/47/523669747.db2.gz BMDZSXLQSKWJJJ-IGKIAQTJSA-N 0 0 499.563 5.373 40 30 JKEBRN CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020220337 523725047 /nfs/dbraw/zinc/72/50/47/523725047.db2.gz SRCAYQXYXISSBJ-MSUPTPDXSA-N 0 0 459.852 5.088 40 30 JKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)S2)cc1 ZINC000004779827 523875181 /nfs/dbraw/zinc/87/51/81/523875181.db2.gz SSZPRKIMOXRTKC-ITYLOYPMSA-N 0 0 486.641 5.385 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000004764973 523941962 /nfs/dbraw/zinc/94/19/62/523941962.db2.gz PITWDGFWPAQRPW-FIMBPPNMSA-N 0 0 489.568 5.044 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000009968635 523943088 /nfs/dbraw/zinc/94/30/88/523943088.db2.gz VBSARBPPMGRIJZ-IPEONRORSA-N 0 0 468.553 5.497 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@H]2c1ccc(Cl)cc1 ZINC000004786919 523944646 /nfs/dbraw/zinc/94/46/46/523944646.db2.gz QTXSMCZLZQMZSZ-YCASGBEESA-N 0 0 486.008 5.219 40 30 JKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC1CCCCCC1)[C@@H]2c1ccc(Cl)cc1 ZINC000004786932 523944656 /nfs/dbraw/zinc/94/46/56/523944656.db2.gz QTXSMCZLZQMZSZ-AECOYVPUSA-N 0 0 486.008 5.219 40 30 JKEBRN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009090061 524006919 /nfs/dbraw/zinc/00/69/19/524006919.db2.gz KNMYEPDERWVHHX-NANFOGFDSA-N 0 0 498.966 5.282 40 30 JKEBRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(=O)C5C)[C@]4(C)CC[C@]3(C)[C@H]2C1 ZINC000009212396 524011695 /nfs/dbraw/zinc/01/16/95/524011695.db2.gz JFACETXYABVHFD-SGJMPPRQSA-N 0 0 464.646 6.786 40 30 biogenic,in-vitro JKEBRN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(Br)cc2)N(c2ccccc2)C1=O ZINC000003013605 524035959 /nfs/dbraw/zinc/03/59/59/524035959.db2.gz PVLZBRFDPAVQBV-JXAXBCJLSA-N 0 0 494.439 6.628 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000006197647 524051864 /nfs/dbraw/zinc/05/18/64/524051864.db2.gz VZWAGRHAVHUPEK-YOMAFEOISA-N 0 0 473.613 5.961 40 30 JKEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000006444400 524107398 /nfs/dbraw/zinc/10/73/98/524107398.db2.gz UDXHIZDBJLXNNF-XMMPIXPASA-N 0 0 460.574 5.255 40 30 JKEBRN Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000008780860 524336136 /nfs/dbraw/zinc/33/61/36/524336136.db2.gz YIXUXSCEBVGKPE-OROMBRFGSA-N 0 0 488.547 5.804 40 30 JKEBRN Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000008781172 524336589 /nfs/dbraw/zinc/33/65/89/524336589.db2.gz YIXUXSCEBVGKPE-INOCPDNRSA-N 0 0 488.547 5.804 40 30 JKEBRN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006015289 524585751 /nfs/dbraw/zinc/58/57/51/524585751.db2.gz YALLDQDMTNFOMG-QHCPKHFHSA-N 0 0 495.963 5.500 40 30 JKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(F)c(Cl)c4)NC3=O)cc2)cc1 ZINC000008820769 524628309 /nfs/dbraw/zinc/62/83/09/524628309.db2.gz JYNBBCXWZAJHHN-UUYOSTAYSA-N 0 0 452.938 6.258 40 30 JKEBRN COc1ccccc1NC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000003299207 524633101 /nfs/dbraw/zinc/63/31/01/524633101.db2.gz YCXIUMBZJUNJJM-HYARGMPZSA-N 0 0 457.650 5.191 40 30 JKEBRN COc1ccccc1[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(OC(C)C)cc1 ZINC000026503582 524731174 /nfs/dbraw/zinc/73/11/74/524731174.db2.gz RWAGXJQVVCMBBC-DEOSSOPVSA-N 0 0 488.653 6.845 40 30 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COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C)cc3C)N(c3ccccc3)C1=O)S2 ZINC000013303974 555373979 /nfs/dbraw/zinc/37/39/79/555373979.db2.gz GKIIDJSPEFIEDB-SCMILFJUSA-N 0 0 473.623 6.491 40 30 JKEBRN Cc1ccc(/N=C2/S[C@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000013303986 555373994 /nfs/dbraw/zinc/37/39/94/555373994.db2.gz LDAHZGQJQFAWOI-BPQUVHJASA-N 0 0 483.559 7.286 40 30 JKEBRN COc1cccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1O ZINC000013304457 555374340 /nfs/dbraw/zinc/37/43/40/555374340.db2.gz WFRSKNKVCCSYED-CVKSISIWSA-N 0 0 475.346 5.733 40 30 JKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C#N)ccc1NCC ZINC000013306199 555374930 /nfs/dbraw/zinc/37/49/30/555374930.db2.gz JCLNBNPSIKGFTE-RMEKRLHFSA-N 0 0 463.632 5.764 40 30 JKEBRN CCOC(=O)c1c(N=CN(C)C)sc(C=NNc2ccc3ccccc3c2)c1-c1ccccc1 ZINC000013305818 555374964 /nfs/dbraw/zinc/37/49/64/555374964.db2.gz WYTLKKJEHFZIIF-XMFCVZGASA-N 0 0 470.598 6.412 40 30 JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)nc3ccccc31)CCCC2 ZINC000013389653 555394774 /nfs/dbraw/zinc/39/47/74/555394774.db2.gz BCWNHNBSHRLOJM-UHFFFAOYSA-N 0 0 456.596 5.840 40 30 JKEBRN N#Cc1ccc(/C(Cl)=C\c2ccc(/C=C(\Cl)c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013403147 555396320 /nfs/dbraw/zinc/39/63/20/555396320.db2.gz MGZQRVWLAREXGQ-CHQRTDLRSA-N 0 0 491.290 6.720 40 30 JKEBRN N#Cc1ccc(/C(Cl)=C/c2cccc(/C=C(\Cl)c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000013403167 555396350 /nfs/dbraw/zinc/39/63/50/555396350.db2.gz WXQHVDCMFLSUSK-KGIZCEIGSA-N 0 0 491.290 6.720 40 30 JKEBRN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C(/C)c3ccc(F)cc3)S2)cc1 ZINC000013423977 555397915 /nfs/dbraw/zinc/39/79/15/555397915.db2.gz QAZMAJFAPFCGGN-UYNMVUAKSA-N 0 0 484.597 5.125 40 30 JKEBRN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c(C)c1 ZINC000013451772 555400915 /nfs/dbraw/zinc/40/09/15/555400915.db2.gz QDSRDWSXSUOTJL-SCMILFJUSA-N 0 0 457.624 6.478 40 30 JKEBRN CCOc1ccccc1NC(=S)N1[C@@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000013471322 555402446 /nfs/dbraw/zinc/40/24/46/555402446.db2.gz NHHQLSZIODZLFW-YWWLJZBMSA-N 0 0 482.694 5.266 40 30 JKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1O ZINC000013549130 555490748 /nfs/dbraw/zinc/49/07/48/555490748.db2.gz LSZAFQHAQJGAQZ-CCVNUDIWSA-N 0 0 478.335 7.033 40 30 JKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/c1cccc(C)c1C)N(CCN1CCOCC1)C3 ZINC000013562183 555496165 /nfs/dbraw/zinc/49/61/65/555496165.db2.gz SJOWMMIGXPLLNH-ORIPQNMZSA-N 0 0 460.647 5.396 40 30 JKEBRN CCc1ccccc1/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1CCN1CCOCC1 ZINC000013562167 555496253 /nfs/dbraw/zinc/49/62/53/555496253.db2.gz URRBGDDMWFCHIP-ORIPQNMZSA-N 0 0 460.647 5.342 40 30 JKEBRN Cc1cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc(-c2ccc(Br)cc2)n1 ZINC000013563088 555498132 /nfs/dbraw/zinc/49/81/32/555498132.db2.gz IYRYBCGNHFPONI-JRXWSOMVSA-N 0 0 457.200 5.356 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2F)nc1 ZINC000013567211 555504181 /nfs/dbraw/zinc/50/41/81/555504181.db2.gz MYTVNXGTSKSJQK-SSOJOUAXSA-N 0 0 457.505 5.122 40 30 JKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000013567829 555505698 /nfs/dbraw/zinc/50/56/98/555505698.db2.gz RCTQADJSXQOSHD-IBGZPJMESA-N 0 0 473.491 5.886 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000013567848 555505734 /nfs/dbraw/zinc/50/57/34/555505734.db2.gz UWQFTJRRSWMWCN-HNNXBMFYSA-N 0 0 458.341 5.886 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567820 555505738 /nfs/dbraw/zinc/50/57/38/555505738.db2.gz RLSFLTOPWPIKJG-MRXNPFEDSA-N 0 0 453.510 5.015 40 30 JKEBRN CCc1ccccc1N1C(=O)C[C@H](c2ccc(OC)c(OC)c2OC)C2=C1CC(C)(C)CC2=O ZINC000013567832 555505747 /nfs/dbraw/zinc/50/57/47/555505747.db2.gz RAIUZGNEDVVSKR-LJQANCHMSA-N 0 0 463.574 5.439 40 30 JKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567827 555505760 /nfs/dbraw/zinc/50/57/60/555505760.db2.gz PJZWXMZAIMHYMO-SFHVURJKSA-N 0 0 453.510 5.015 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)cc1OC ZINC000013567906 555505768 /nfs/dbraw/zinc/50/57/68/555505768.db2.gz ZBMOPXBNUWFGAU-QGZVFWFLSA-N 0 0 475.463 5.259 40 30 JKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)cc1OC ZINC000013567930 555505922 /nfs/dbraw/zinc/50/59/22/555505922.db2.gz WNLOMULPSYZDEG-MRXNPFEDSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1cc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013567946 555505939 /nfs/dbraw/zinc/50/59/39/555505939.db2.gz SAAQVSHOIKKWDY-QGZVFWFLSA-N 0 0 455.938 5.202 40 30 JKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1OC ZINC000013567931 555505978 /nfs/dbraw/zinc/50/59/78/555505978.db2.gz PMAJTELVECJMGN-KRWDZBQOSA-N 0 0 455.938 5.202 40 30 JKEBRN CCN(CC)c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000019855704 555512968 /nfs/dbraw/zinc/51/29/68/555512968.db2.gz JQRUUBDWNVTYPR-UQRQXUALSA-N 0 0 497.664 6.679 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)ccc1O ZINC000019855699 555513117 /nfs/dbraw/zinc/51/31/17/555513117.db2.gz BALZBJHAITZZJU-ZTKZIYFRSA-N 0 0 486.593 5.937 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000019855711 555513126 /nfs/dbraw/zinc/51/31/26/555513126.db2.gz GQWKBLBFCRVSFP-RDRPBHBLSA-N 0 0 495.431 7.140 40 30 JKEBRN COc1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1OC ZINC000019855749 555513391 /nfs/dbraw/zinc/51/33/91/555513391.db2.gz BCLFQGYVSJGWSY-ZTKZIYFRSA-N 0 0 486.593 5.850 40 30 JKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000019904425 555535642 /nfs/dbraw/zinc/53/56/42/555535642.db2.gz LTWMKKCICLIPAO-QYBDOPJKSA-N 0 0 481.614 5.470 40 30 JKEBRN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000019904447 555536088 /nfs/dbraw/zinc/53/60/88/555536088.db2.gz XLLACHCNVFOXIT-ZQDHAPQSSA-N 0 0 491.584 5.113 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\N=C3/NC(=O)[C@H](Cc4cccc(C(F)(F)F)c4)S3)o2)cc1 ZINC000013634328 555543952 /nfs/dbraw/zinc/54/39/52/555543952.db2.gz XDFJIOJMWNITIB-PLNVPOSRSA-N 0 0 457.477 5.438 40 30 JKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2Cl)nc1 ZINC000020058963 555622245 /nfs/dbraw/zinc/62/22/45/555622245.db2.gz HMXXKGXQWCLJMB-NSYGIPOTSA-N 0 0 473.960 5.637 40 30 JKEBRN CCCCSC1(SCCCC)NC(=N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCCC3)[C@@]12C#N ZINC000013810544 555625845 /nfs/dbraw/zinc/62/58/45/555625845.db2.gz JSRDAVDOPIOHGL-SKBVVQJISA-N 0 0 493.746 6.270 40 30 JKEBRN Clc1ccc(CN/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)cc1 ZINC000010118879 555629190 /nfs/dbraw/zinc/62/91/90/555629190.db2.gz HZECEGSGVUQSTG-MZJWZYIUSA-N 0 0 499.783 6.071 40 30 JKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1 ZINC000010119024 555629200 /nfs/dbraw/zinc/62/92/00/555629200.db2.gz IOJRMANZQZNHBT-AFUMVMLFSA-N 0 0 476.745 5.647 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C#N)c1 ZINC000010119105 555629517 /nfs/dbraw/zinc/62/95/17/555629517.db2.gz MPTVVKPQQMSVRF-WKULSOCRSA-N 0 0 454.357 5.966 40 30 JKEBRN CCCOc1c(I)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000010119127 555629538 /nfs/dbraw/zinc/62/95/38/555629538.db2.gz DPHGWPFQCHMLEB-YDZHTSKRSA-N 0 0 472.754 5.256 40 30 JKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000013842973 555632372 /nfs/dbraw/zinc/63/23/72/555632372.db2.gz WPYHMWVNTFSYSD-UHFFFAOYSA-N 0 0 464.635 6.021 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850620 555634531 /nfs/dbraw/zinc/63/45/31/555634531.db2.gz MVRAWQDECAMCOF-HNNXBMFYSA-N 0 0 462.497 5.354 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000013879699 555638213 /nfs/dbraw/zinc/63/82/13/555638213.db2.gz KDHPBZBVGJDPRI-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000013879723 555638493 /nfs/dbraw/zinc/63/84/93/555638493.db2.gz BRVQTNVJEAQDMS-UHFFFAOYSA-N 0 0 456.999 5.353 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1ccco1 ZINC000014060095 555675258 /nfs/dbraw/zinc/67/52/58/555675258.db2.gz DMLXVMSEFWCVQF-OAHLLOKOSA-N 0 0 481.647 5.539 40 30 JKEBRN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1-c1ccccc1 ZINC000014067470 555676229 /nfs/dbraw/zinc/67/62/29/555676229.db2.gz WDVGEUIWWSJTIF-MRXNPFEDSA-N 0 0 465.648 5.297 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)nnc1-c1ccccc1 ZINC000014067643 555676495 /nfs/dbraw/zinc/67/64/95/555676495.db2.gz VRLBXJXPBRZCAM-SFHVURJKSA-N 0 0 493.702 6.170 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccccc1 ZINC000014067581 555676532 /nfs/dbraw/zinc/67/65/32/555676532.db2.gz BVBKBTQGOISKNN-KRWDZBQOSA-N 0 0 479.675 5.780 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccccc1 ZINC000014067750 555676840 /nfs/dbraw/zinc/67/68/40/555676840.db2.gz JBIGNZSDPREUCD-UHFFFAOYSA-N 0 0 463.788 5.278 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014081371 555681471 /nfs/dbraw/zinc/68/14/71/555681471.db2.gz XGWSXEMSVKDKTM-UHFFFAOYSA-N 0 0 463.788 5.278 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 ZINC000014081369 555681497 /nfs/dbraw/zinc/68/14/97/555681497.db2.gz BQOFTKUHJIXANB-UHFFFAOYSA-N 0 0 463.788 5.278 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014081377 555681501 /nfs/dbraw/zinc/68/15/01/555681501.db2.gz ZSJIJMQZOANBQA-UHFFFAOYSA-N 0 0 498.233 5.931 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014081378 555681524 /nfs/dbraw/zinc/68/15/24/555681524.db2.gz DIXWICRRORKUSW-UHFFFAOYSA-N 0 0 498.233 5.931 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Br)cc1 ZINC000014081387 555681535 /nfs/dbraw/zinc/68/15/35/555681535.db2.gz ZWRJLTJBQVPJTH-UHFFFAOYSA-N 0 0 477.815 5.586 40 30 JKEBRN Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)c1 ZINC000014081979 555681726 /nfs/dbraw/zinc/68/17/26/555681726.db2.gz WSGNMVNALTXDEO-KRWDZBQOSA-N 0 0 479.675 5.606 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccc(C)cc1 ZINC000014082346 555681732 /nfs/dbraw/zinc/68/17/32/555681732.db2.gz IBPKDMUWVOHGOU-UHFFFAOYSA-N 0 0 461.616 5.602 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1C ZINC000014081899 555681747 /nfs/dbraw/zinc/68/17/47/555681747.db2.gz IRFBKNQAVXHPFT-UHFFFAOYSA-N 0 0 466.916 5.843 40 30 JKEBRN Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C)cc1 ZINC000014082211 555681771 /nfs/dbraw/zinc/68/17/71/555681771.db2.gz LVOQOHSTZGDETK-KRWDZBQOSA-N 0 0 479.675 5.606 40 30 JKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cc(Cl)ccc1OC ZINC000014084670 555683545 /nfs/dbraw/zinc/68/35/45/555683545.db2.gz OKLZXMZHUHYVPM-UHFFFAOYSA-N 0 0 488.038 5.170 40 30 JKEBRN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000010325894 555684544 /nfs/dbraw/zinc/68/45/44/555684544.db2.gz ASVIYURNABHRSA-NLFFAJNJSA-N 0 0 492.535 5.340 40 30 JKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014091825 555684926 /nfs/dbraw/zinc/68/49/26/555684926.db2.gz NLEQRZBDHFLFLK-UHFFFAOYSA-N 0 0 463.390 5.101 40 30 JKEBRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000014091357 555684989 /nfs/dbraw/zinc/68/49/89/555684989.db2.gz NYXOFLGPFZEPDU-KRWDZBQOSA-N 0 0 479.675 5.221 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014117901 555692975 /nfs/dbraw/zinc/69/29/75/555692975.db2.gz BKNWZGVDWOGQMR-UHFFFAOYSA-N 0 0 476.524 5.410 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014117728 555693055 /nfs/dbraw/zinc/69/30/55/555693055.db2.gz PRJCCPXKYSAQCB-UHFFFAOYSA-N 0 0 491.642 5.514 40 30 JKEBRN COc1ccc(CN/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000020195795 555695631 /nfs/dbraw/zinc/69/56/31/555695631.db2.gz CWMDIJCZLOJGQJ-CCVNUDIWSA-N 0 0 475.372 5.722 40 30 JKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000020195841 555695637 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C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014133298 555701050 /nfs/dbraw/zinc/70/10/50/555701050.db2.gz ZPHVZOPPAXDSKX-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000014133329 555701209 /nfs/dbraw/zinc/70/12/09/555701209.db2.gz LMKIGVGPJWBTDZ-QVIHXGFCSA-N 0 0 498.612 6.498 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000014133350 555701232 /nfs/dbraw/zinc/70/12/32/555701232.db2.gz KRCRZJUTXZHZGZ-UHFFFAOYSA-N 0 0 458.381 5.089 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014133334 555701239 /nfs/dbraw/zinc/70/12/39/555701239.db2.gz SGZANEYJASVXOS-UHFFFAOYSA-N 0 0 463.390 5.389 40 30 JKEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000014133401 555701528 /nfs/dbraw/zinc/70/15/28/555701528.db2.gz BHEOHHFPAVGEBH-UHFFFAOYSA-N 0 0 472.408 5.343 40 30 JKEBRN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014133388 555701541 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JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000014134222 555702456 /nfs/dbraw/zinc/70/24/56/555702456.db2.gz QJZAHYYETQRAPZ-UHFFFAOYSA-N 0 0 478.662 6.077 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000014134208 555702492 /nfs/dbraw/zinc/70/24/92/555702492.db2.gz DWFOKTJEOSPEQL-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2Br)cc1 ZINC000014134289 555702687 /nfs/dbraw/zinc/70/26/87/555702687.db2.gz RQWRQNHZOJTMEI-WYMPLXKRSA-N 0 0 455.743 6.004 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000014134495 555702786 /nfs/dbraw/zinc/70/27/86/555702786.db2.gz QHIXVCZETJHXLN-BIZUNTBRSA-N 0 0 472.500 7.282 40 30 JKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014134242 555702848 /nfs/dbraw/zinc/70/28/48/555702848.db2.gz ASEIHMZSILHAQI-UHFFFAOYSA-N 0 0 478.662 6.329 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)sc2C1 ZINC000014195114 555728809 /nfs/dbraw/zinc/72/88/09/555728809.db2.gz GXEMSVSFJMNSDR-SFHVURJKSA-N 0 0 468.642 5.061 40 30 JKEBRN COc1ccc(NC(=O)/C=C2\S/C(=N\Cc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020249105 555743393 /nfs/dbraw/zinc/74/33/93/555743393.db2.gz PGDBTIBLJGUDCE-XNLNZBGWSA-N 0 0 493.535 5.128 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000014257460 555757076 /nfs/dbraw/zinc/75/70/76/555757076.db2.gz HBMMTIHKVJEMLE-CCVNUDIWSA-N 0 0 498.435 7.541 40 30 JKEBRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c(F)c1F ZINC000014270061 555760932 /nfs/dbraw/zinc/76/09/32/555760932.db2.gz USIPRAGKAFUSMI-UHFFFAOYSA-N 0 0 460.758 5.051 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000014271488 555766374 /nfs/dbraw/zinc/76/63/74/555766374.db2.gz XUGVVFIASXFJBU-LLVKDONJSA-N 0 0 466.459 6.204 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014271479 555766476 /nfs/dbraw/zinc/76/64/76/555766476.db2.gz CPKHVRBPFNQYEB-LBPRGKRZSA-N 0 0 466.544 5.040 40 30 JKEBRN COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014271541 555766667 /nfs/dbraw/zinc/76/66/67/555766667.db2.gz DWTSAHWGLFUHMM-NYUWMOHMSA-N 0 0 453.633 5.306 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000014273280 555772696 /nfs/dbraw/zinc/77/26/96/555772696.db2.gz REJJZZFFMJILOJ-ZDUSSCGKSA-N 0 0 473.425 7.590 40 30 JKEBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc(C)c(C)c1C#N ZINC000014273249 555772734 /nfs/dbraw/zinc/77/27/34/555772734.db2.gz NQVIISUXKUTYEA-SNAWJCMRSA-N 0 0 470.186 5.422 40 30 JKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000014276439 555783635 /nfs/dbraw/zinc/78/36/35/555783635.db2.gz ASPLLWNMXHBBFT-SECBINFHSA-N 0 0 480.467 6.393 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000014395483 555801887 /nfs/dbraw/zinc/80/18/87/555801887.db2.gz CSVWDZJELZXNGG-UHFFFAOYSA-N 0 0 487.423 5.099 40 30 JKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014395445 555801934 /nfs/dbraw/zinc/80/19/34/555801934.db2.gz VJXZKTZXZDHYGT-UHFFFAOYSA-N 0 0 485.234 6.405 40 30 JKEBRN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)ccc1OC ZINC000014400315 555805826 /nfs/dbraw/zinc/80/58/26/555805826.db2.gz HLWNTCLUSSDQNQ-UHFFFAOYSA-N 0 0 450.560 5.094 40 30 JKEBRN COc1ccccc1C(=O)Oc1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1OC ZINC000014406476 555808286 /nfs/dbraw/zinc/80/82/86/555808286.db2.gz ULTBXUCRKLJXGJ-JVWAILMASA-N 0 0 473.554 5.801 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)cc1 ZINC000014407966 555808879 /nfs/dbraw/zinc/80/88/79/555808879.db2.gz WIDPJBQTVRWZSF-ITHFGJKNSA-N 0 0 498.582 5.800 40 30 JKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000014408080 555808884 /nfs/dbraw/zinc/80/88/84/555808884.db2.gz PCXAUFIWWORPDT-NDCOSSLMSA-N 0 0 486.571 5.853 40 30 JKEBRN COc1ccc(-c2oc(/N=C/c3ccc(-c4ccc(F)cc4)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000014408584 555809465 /nfs/dbraw/zinc/80/94/65/555809465.db2.gz BKUQARXCBMSVSP-DPNNOFEESA-N 0 0 492.506 7.652 40 30 JKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408499 555809561 /nfs/dbraw/zinc/80/95/61/555809561.db2.gz KCXXDCTUECCLOU-VTNSRFBWSA-N 0 0 483.354 8.803 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccc(Br)cc3)c2)c([N+](=O)[O-])c1 ZINC000014408859 555809775 /nfs/dbraw/zinc/80/97/75/555809775.db2.gz KPFHVVRFILJMCO-WSDLNYQXSA-N 0 0 471.267 5.291 40 30 JKEBRN COc1ccc([C@H]2C(C)=Nc3ccccc3NC2=NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000014608004 555836475 /nfs/dbraw/zinc/83/64/75/555836475.db2.gz RGUGYCBXPGCDHD-JOCHJYFZSA-N 0 0 462.893 5.797 40 30 JKEBRN COc1ccc([C@H]2C(C)=Nc3ccccc3NC2=NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1OC ZINC000014608034 555836493 /nfs/dbraw/zinc/83/64/93/555836493.db2.gz SWVDORRXLNLLIV-HSZRJFAPSA-N 0 0 492.919 5.806 40 30 JKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000014608276 555836817 /nfs/dbraw/zinc/83/68/17/555836817.db2.gz LJYVLXKJJULRCW-NTKDMRAZSA-N 0 0 478.508 5.032 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000014671926 555837856 /nfs/dbraw/zinc/83/78/56/555837856.db2.gz QEBHZUBKTRVKAB-AREMUKBSSA-N 0 0 455.579 6.808 40 30 JKEBRN O=C(Oc1cccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)c1)c1ccc([N+](=O)[O-])cc1 ZINC000014671934 555838043 /nfs/dbraw/zinc/83/80/43/555838043.db2.gz OWWUKIJMKSQKCE-RUZDIDTESA-N 0 0 472.522 6.080 40 30 JKEBRN Cc1ccc(C(=O)Oc2cccc([C@H]3Sc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c2)cc1 ZINC000014671933 555838194 /nfs/dbraw/zinc/83/81/94/555838194.db2.gz WICCLTHMUXRCHH-HHHXNRCGSA-N 0 0 469.606 7.116 40 30 JKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000020601906 555842223 /nfs/dbraw/zinc/84/22/23/555842223.db2.gz YEEVSZGFDDBJKC-YHJVDBJQSA-N 0 0 485.535 5.854 40 30 JKEBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000012017568 555885293 /nfs/dbraw/zinc/88/52/93/555885293.db2.gz TWFMEZWEOBBCSZ-SDHOMARFSA-N 0 0 483.593 5.167 40 30 JKEBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1(C=Nc3ccccc3)c3ccccc3C2c2ccccc21 ZINC000015223664 555885781 /nfs/dbraw/zinc/88/57/81/555885781.db2.gz OIHKCXFJPFFNMS-DLJXZJEYSA-N 0 0 488.974 6.293 40 30 JKEBRN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(C=Nc3ccccc3)c3ccccc3C2c2ccccc21 ZINC000015223669 555885817 /nfs/dbraw/zinc/88/58/17/555885817.db2.gz OIHKCXFJPFFNMS-LYAITZIZSA-N 0 0 488.974 6.293 40 30 JKEBRN CCN1c2ccc(Br)cc2/C(=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)C1=O ZINC000015229649 555888996 /nfs/dbraw/zinc/88/89/96/555888996.db2.gz KRTVMYNQXHVFRV-AUNYUDIMSA-N 0 0 470.436 6.021 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)o3)sc2C1 ZINC000015277574 555893126 /nfs/dbraw/zinc/89/31/26/555893126.db2.gz VVRMBXOIOARUHX-HNNXBMFYSA-N 0 0 467.620 5.337 40 30 JKEBRN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cccc4ccccc43)C12 ZINC000022529357 555931196 /nfs/dbraw/zinc/93/11/96/555931196.db2.gz PGNGSBGQJJYYRP-LHSJRXKWSA-N 0 0 450.420 5.459 40 30 JKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000022529865 555931568 /nfs/dbraw/zinc/93/15/68/555931568.db2.gz TUXCBATVYKNSCG-QYBDOPJKSA-N 0 0 450.498 5.669 40 30 JKEBRN O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000022572390 555937712 /nfs/dbraw/zinc/93/77/12/555937712.db2.gz DYONAYFGVIMQGC-DHIUTWEWSA-N 0 0 463.552 6.314 40 30 JKEBRN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000022574788 555938383 /nfs/dbraw/zinc/93/83/83/555938383.db2.gz BGUCTYNRJKDVKT-CBZJRKILSA-N 0 0 464.956 6.587 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1Cl ZINC000022715602 555947437 /nfs/dbraw/zinc/94/74/37/555947437.db2.gz ZXHMTRUFMRELIX-PEKVBPLLSA-N 0 0 479.045 7.645 40 30 JKEBRN O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000022716703 555947776 /nfs/dbraw/zinc/94/77/76/555947776.db2.gz WOZHLAYSTZUEOX-DHIUTWEWSA-N 0 0 480.007 6.828 40 30 JKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3sc4c(c3C#N)CCCC4)o2)cc1Cl ZINC000022739084 555948378 /nfs/dbraw/zinc/94/83/78/555948378.db2.gz PCVAODHAULPBKK-PKNBQFBNSA-N 0 0 482.030 6.247 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C(F)(F)F)nn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000022741586 555949528 /nfs/dbraw/zinc/94/95/28/555949528.db2.gz JGTSNALUAOPDSH-ZHRRBRCNSA-N 0 0 484.478 5.038 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1OC ZINC000022748735 555952102 /nfs/dbraw/zinc/95/21/02/555952102.db2.gz KDUCIIHGOKVISG-LBEKAKSKSA-N 0 0 490.563 5.951 40 30 JKEBRN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1OC ZINC000022748727 555952125 /nfs/dbraw/zinc/95/21/25/555952125.db2.gz KDUCIIHGOKVISG-LDLUVENISA-N 0 0 490.563 5.951 40 30 JKEBRN Cc1sc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc32)c(C#N)c1C ZINC000012474488 555982300 /nfs/dbraw/zinc/98/23/00/555982300.db2.gz GZIWBOKMEDZZBA-UHFFFAOYSA-N 0 0 455.565 5.173 40 30 JKEBRN COc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)c(OC)c1 ZINC000012482471 555985825 /nfs/dbraw/zinc/98/58/25/555985825.db2.gz LPLZUERVXYWPMV-BYYHNAKLSA-N 0 0 455.583 6.356 40 30 JKEBRN COc1ccc(-c2cc(C(=O)N3CCCS/C3=N\c3ccccc3)c3ccccc3n2)cc1OC ZINC000012542632 556018141 /nfs/dbraw/zinc/01/81/41/556018141.db2.gz KLTHCTBUOAZKOY-ZIADKAODSA-N 0 0 483.593 6.186 40 30 JKEBRN C=CC/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1cccc(C(F)(F)F)c1 ZINC000012566387 556064092 /nfs/dbraw/zinc/06/40/92/556064092.db2.gz VRCFZFRSNLJNPG-PAXNACJPSA-N 0 0 472.355 6.028 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccc(OC)c4)[C@@H]3c3cccs3)c2c1 ZINC000015920312 556067858 /nfs/dbraw/zinc/06/78/58/556067858.db2.gz SEJPAJIAUBFHGQ-DEOSSOPVSA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)c2c1 ZINC000015920357 556068159 /nfs/dbraw/zinc/06/81/59/556068159.db2.gz UZQGEZDFIMEELB-QHCPKHFHSA-N 0 0 458.539 5.059 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3OC)c2c1 ZINC000015920364 556068174 /nfs/dbraw/zinc/06/81/74/556068174.db2.gz DKHLOOQUEBODIL-XMMPIXPASA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000015920366 556068219 /nfs/dbraw/zinc/06/82/19/556068219.db2.gz HFCSORCOLUMEID-HSZRJFAPSA-N 0 0 476.529 5.198 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccs3)c2c1 ZINC000015920371 556068384 /nfs/dbraw/zinc/06/83/84/556068384.db2.gz PKJAGLWOJBRVFI-NRFANRHFSA-N 0 0 464.568 5.121 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)c2c1 ZINC000015920427 556068765 /nfs/dbraw/zinc/06/87/65/556068765.db2.gz FNLMMIDADHQIKY-QHCPKHFHSA-N 0 0 458.539 5.059 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)c2c1 ZINC000015920428 556068850 /nfs/dbraw/zinc/06/88/50/556068850.db2.gz FNLMMIDADHQIKY-HSZRJFAPSA-N 0 0 458.539 5.059 40 30 JKEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2cccs2)cc1 ZINC000015920454 556069191 /nfs/dbraw/zinc/06/91/91/556069191.db2.gz LBLNIFZZSSDJKL-DEOSSOPVSA-N 0 0 488.565 5.068 40 30 JKEBRN COc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(Cl)cc4)c3)S2)cc1 ZINC000015932123 556071006 /nfs/dbraw/zinc/07/10/06/556071006.db2.gz IYYGSRIXIJPDKI-STZFKDTASA-N 0 0 464.930 5.459 40 30 JKEBRN S=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1)Nc1ccccc1 ZINC000012577234 556076395 /nfs/dbraw/zinc/07/63/95/556076395.db2.gz UKYKSIVMOKEWMX-DXSSFCHOSA-N 0 0 487.456 5.729 40 30 JKEBRN CCc1cccc2c(C(=O)[C@@H](OC(=O)CO/N=C/c3ccc(OC)cc3)c3ccccc3)c[nH]c21 ZINC000012588147 556084641 /nfs/dbraw/zinc/08/46/41/556084641.db2.gz VEXOYIQUNGCBMN-VFHZOOBCSA-N 0 0 470.525 5.257 40 30 JKEBRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1OC ZINC000015973345 556097292 /nfs/dbraw/zinc/09/72/92/556097292.db2.gz KPVKCZUWWJZRQP-XMMPIXPASA-N 0 0 478.589 5.511 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000012660014 556100725 /nfs/dbraw/zinc/10/07/25/556100725.db2.gz XUDTWJGGQFHXCR-TZYKIOIGSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)n1C1CCCCC1)CCCC2 ZINC000012701181 556103057 /nfs/dbraw/zinc/10/30/57/556103057.db2.gz NQEHNLWBJGGMFS-UHFFFAOYSA-N 0 0 478.647 5.388 40 30 JKEBRN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1c(F)c(F)cc(F)c1F ZINC000012844392 556117184 /nfs/dbraw/zinc/11/71/84/556117184.db2.gz AKFWSIXGYFZMIQ-UHFFFAOYSA-N 0 0 465.350 5.433 40 30 JKEBRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1 ZINC000012847206 556117443 /nfs/dbraw/zinc/11/74/43/556117443.db2.gz VMLUZPANTWVIQZ-RTWAWAEBSA-N 0 0 453.468 5.560 40 30 JKEBRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3N2)cc1 ZINC000012847202 556117567 /nfs/dbraw/zinc/11/75/67/556117567.db2.gz VMLUZPANTWVIQZ-SFTDATJTSA-N 0 0 453.468 5.560 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000016195391 556128837 /nfs/dbraw/zinc/12/88/37/556128837.db2.gz UIGCPKXALRADJU-QNGOZBTKSA-N 0 0 489.369 5.857 40 30 JKEBRN Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Cl)c3)SC2=S)cc1 ZINC000016292281 556133672 /nfs/dbraw/zinc/13/36/72/556133672.db2.gz SFRHCKJOWMSUTK-CFRMEGHHSA-N 0 0 491.037 6.501 40 30 JKEBRN N#Cc1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)cc1C(F)(F)F ZINC000016430711 556138909 /nfs/dbraw/zinc/13/89/09/556138909.db2.gz TXMRBVWBRIJHJQ-UHFFFAOYSA-N 0 0 488.343 6.738 40 30 JKEBRN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 ZINC000016637008 556148566 /nfs/dbraw/zinc/14/85/66/556148566.db2.gz YWJCPCGYHGYXLA-JFLMPSFJSA-N 0 0 485.809 6.888 40 30 JKEBRN Clc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4Cl)c3)n2)c(Cl)c1 ZINC000016672906 556150121 /nfs/dbraw/zinc/15/01/21/556150121.db2.gz OVKICSSIOIUQFU-KKMKTNMSSA-N 0 0 488.827 7.795 40 30 JKEBRN O=[N+]([O-])c1cccc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)c1 ZINC000016671699 556150134 /nfs/dbraw/zinc/15/01/34/556150134.db2.gz IDBBOAOPSMZBJD-UXTBUNMHSA-N 0 0 473.576 7.223 40 30 JKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccc(C)cc1 ZINC000016957625 556188896 /nfs/dbraw/zinc/18/88/96/556188896.db2.gz HDPZGEIGUACCAU-ISLYRVAYSA-N 0 0 461.590 7.176 40 30 in-vivo JKEBRN Cc1ccc(S(=O)(=O)OC/C(=C(\c2ccccc2)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000016978802 556194818 /nfs/dbraw/zinc/19/48/18/556194818.db2.gz YPHREQJJBWTFGZ-DQSJHHFOSA-N 0 0 475.009 7.013 40 30 JKEBRN [O-]C(C=C([NH2+]Nc1ccccc1)c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F ZINC000017000281 556199450 /nfs/dbraw/zinc/19/94/50/556199450.db2.gz QAVCFWCWMFFPOM-VULFUBBASA-N 0 0 455.196 5.511 40 30 JKEBRN CCCCN(CCCC)c1ccc(/N=C(\C#N)c2ccc(N(CCCC)CCCC)cc2)cc1 ZINC000017024285 556204671 /nfs/dbraw/zinc/20/46/71/556204671.db2.gz VHZOLRPOMVJJGW-NHQGMKOOSA-N 0 0 460.710 8.144 40 30 JKEBRN COc1ccc(/C(C)=N/NC(=S)Nc2ccc(C)cc2C)cc1CSc1ncccn1 ZINC000025422819 556214414 /nfs/dbraw/zinc/21/44/14/556214414.db2.gz FCPZBEKCZBPFCK-WPWMEQJKSA-N 0 0 451.621 5.105 40 30 JKEBRN CC1=C/C(=N/N=C2C=CC(C)(C(Cl)(Cl)Cl)C=C2)C=C[C@@]1(C)C(Cl)(Cl)Cl ZINC000017060734 556214687 /nfs/dbraw/zinc/21/46/87/556214687.db2.gz YPRVSWSSMZWLTJ-ZKKDBDIBSA-N 0 0 461.047 7.179 40 30 JKEBRN COc1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3ccc(OC)cc3OC)cc2)c(OC)c1 ZINC000017104991 556217078 /nfs/dbraw/zinc/21/70/78/556217078.db2.gz ITTRKGJVIPWMBO-JOBJLJCHSA-N 0 0 458.510 5.513 40 30 JKEBRN O=C(C/C(=N\CC/N=C(/CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017120090 556218979 /nfs/dbraw/zinc/21/89/79/556218979.db2.gz XCESBWHANCTJOW-HKQZHLORSA-N 0 0 472.588 6.511 40 30 JKEBRN C/C(=N/CC/N=C(/C)c1cc(C)cc(Br)c1O)c1cc(C)cc(Br)c1O ZINC000017140813 556224799 /nfs/dbraw/zinc/22/47/99/556224799.db2.gz WGACGHZVZGCPHS-GACBQCINSA-N 0 0 482.216 5.558 40 30 JKEBRN CCO/C(=N\c1ccc([N+](=O)[O-])cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017139519 556224814 /nfs/dbraw/zinc/22/48/14/556224814.db2.gz WZDPFBFZUCBVPX-ORIPQNMZSA-N 0 0 468.578 7.344 40 30 JKEBRN Cc1ccc(-c2csc(=NNc3csc(=O)n3Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000017140948 556224834 /nfs/dbraw/zinc/22/48/34/556224834.db2.gz GRRWXPNJFUDFPW-FRUUGIBISA-N 0 0 470.623 6.097 40 30 JKEBRN CC(C)CCC(=O)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000017160251 556229314 /nfs/dbraw/zinc/22/93/14/556229314.db2.gz XOGZQOIHXCXWLX-COOPMVRXSA-N 0 0 490.516 5.966 40 30 JKEBRN CCCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N\c1ccccc1 ZINC000017167429 556230344 /nfs/dbraw/zinc/23/03/44/556230344.db2.gz HWRQWEGHSACCSY-CRUFNBOHSA-N 0 0 461.381 5.480 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000025694589 556230832 /nfs/dbraw/zinc/23/08/32/556230832.db2.gz DOOCNXDBUMXAHV-IWBSIUBASA-N 0 0 468.556 7.728 40 30 JKEBRN C=C[C@H](C)[C@@]1(CCCOCc2ccccc2)C(=S)N2CCC3(C[C@@]24CCC[C@H]41)OCCO3 ZINC000017190974 556236667 /nfs/dbraw/zinc/23/66/67/556236667.db2.gz IQQSFMMVNDTVMW-OCBXDECUSA-N 0 0 455.664 5.511 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3c4ccccc4cc4ccccc43)nc2-c2ccccc2)cc1 ZINC000025868301 556237623 /nfs/dbraw/zinc/23/76/23/556237623.db2.gz QOVXUVFXLMFGIM-ZCTHSVRISA-N 0 0 485.568 8.442 40 30 JKEBRN C=CCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000026441962 556253740 /nfs/dbraw/zinc/25/37/40/556253740.db2.gz UUMPJVILBRAYSH-DQSJHHFOSA-N 0 0 485.613 5.391 40 30 JKEBRN Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000017377416 556260440 /nfs/dbraw/zinc/26/04/40/556260440.db2.gz VSKHEXPLFCCXQU-DHRITJCHSA-N 0 0 452.739 5.861 40 30 JKEBRN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000017466344 556261185 /nfs/dbraw/zinc/26/11/85/556261185.db2.gz ZOKNIEUNOSBMEZ-ISJGIBHGSA-N 0 0 488.349 6.417 40 30 JKEBRN O=C(c1ccccc1)[C@](O)(c1ccccc1)[C@@H]1CCCC/C1=N\N(c1ccccc1)c1ccccc1 ZINC000017751899 556265771 /nfs/dbraw/zinc/26/57/71/556265771.db2.gz BZKPXKJAEIDJNW-CGFPZCBFSA-N 0 0 474.604 7.142 40 30 JKEBRN O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000017953148 556272585 /nfs/dbraw/zinc/27/25/85/556272585.db2.gz PMLAZFNALDRGOH-LBGKPPMZSA-N 0 0 473.747 5.845 40 30 JKEBRN Cc1c(C)c(C(=O)OC(C)(C)C)[nH]c1/C=C1\CC/C(=C/c2[nH]c(C(=O)OC(C)(C)C)c(C)c2C)C1=O ZINC000017995500 556275184 /nfs/dbraw/zinc/27/51/84/556275184.db2.gz FMHUDYTXFMKFFN-LRVMPXQBSA-N 0 0 494.632 6.317 40 30 JKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000018059686 556281492 /nfs/dbraw/zinc/28/14/92/556281492.db2.gz QLNYWWUDPQAXBD-HSZRJFAPSA-N 0 0 469.412 6.545 40 30 JKEBRN N#Cc1c(NC(=O)c2cc(-c3ccco3)nc3ccccc32)oc(-c2ccco2)c1-c1ccco1 ZINC000027515731 556282122 /nfs/dbraw/zinc/28/21/22/556282122.db2.gz OCMKLGDJAVTWQD-UHFFFAOYSA-N 0 0 461.433 6.732 40 30 JKEBRN CC(=NNc1ccccc1)c1sc(-c2nc(C)c(C(C)=NNc3ccccc3)s2)nc1C ZINC000018084795 556285558 /nfs/dbraw/zinc/28/55/58/556285558.db2.gz LRXLIASYQGTLOH-HJVIKEODSA-N 0 0 460.632 6.556 40 30 JKEBRN Cc1cc(=O)c(C(=O)N2CCCS/C2=N\c2ccccc2Cl)nn1-c1ccccc1Cl ZINC000013095157 556286470 /nfs/dbraw/zinc/28/64/70/556286470.db2.gz XLVUORLRJDSTOL-LVWGJNHUSA-N 0 0 473.385 5.115 40 30 JKEBRN O=C(/N=C1\C(=O)C2(CCCCC2)[C@@]2(N=C(c3ccccc3)OC2=O)C12CCCCC2)c1ccccc1 ZINC000018120498 556290404 /nfs/dbraw/zinc/29/04/04/556290404.db2.gz AHZUHPIPRNAPTQ-JYHMHBGYSA-N 0 0 482.580 5.494 40 30 JKEBRN CC(C)COC(=O)c1ccc(/N=C/c2ccc(/C=N\c3ccc(C(=O)OCC(C)C)cc3)cc2)cc1 ZINC000018140663 556292922 /nfs/dbraw/zinc/29/29/22/556292922.db2.gz FZFMLVRMAJJQOL-XEUGNBHESA-N 0 0 484.596 6.813 40 30 JKEBRN O=C(c1ccccc1)N1C(=S)N(c2ccccn2)C(=N\c2ccccc2)/C1=N\c1ccccc1 ZINC000018167182 556297350 /nfs/dbraw/zinc/29/73/50/556297350.db2.gz WYXBGZIUFLMIHM-ZTKLTGDLSA-N 0 0 461.550 5.789 40 30 JKEBRN O=C(/N=C1\C(=O)C2(CCCCC2)[C@]2(N=C(c3ccccc3)OC2=O)C12CCCCC2)c1ccccc1 ZINC000018169723 556297608 /nfs/dbraw/zinc/29/76/08/556297608.db2.gz AHZUHPIPRNAPTQ-CXIIUYSVSA-N 0 0 482.580 5.494 40 30 JKEBRN COc1ccc(/N=c2\scc(-c3ccccc3)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000013109817 556310046 /nfs/dbraw/zinc/31/00/46/556310046.db2.gz SMUJGBMFAAEWDZ-KGPJJDNOSA-N 0 0 491.616 6.919 40 30 JKEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)Nc2cccc(Cl)c2)n1 ZINC000018208798 556310069 /nfs/dbraw/zinc/31/00/69/556310069.db2.gz LUBDBUKWDGIMEK-UHFFFAOYSA-N 0 0 479.947 5.200 40 30 JKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)c2ccccc21 ZINC000028182508 556316380 /nfs/dbraw/zinc/31/63/80/556316380.db2.gz CJRMBWMUZPYMRU-MYKKPKGFSA-N 0 0 450.321 6.680 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182550 556316435 /nfs/dbraw/zinc/31/64/35/556316435.db2.gz UIEQXTWGQNLIDA-ZMFRSBBQSA-N 0 0 473.956 6.827 40 30 JKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182568 556316673 /nfs/dbraw/zinc/31/66/73/556316673.db2.gz LFJYQVVUCCGVFJ-VYYCAZPPSA-N 0 0 453.538 6.482 40 30 JKEBRN CCn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182628 556316937 /nfs/dbraw/zinc/31/69/37/556316937.db2.gz DFXOLFRVVQPNQM-LDFRNDFOSA-N 0 0 451.522 6.378 40 30 JKEBRN Cc1cccc(C)c1/N=C/c1ccc(OCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000028219432 556325206 /nfs/dbraw/zinc/32/52/06/556325206.db2.gz QQUSXSRAIJUCEO-CCVNUDIWSA-N 0 0 462.018 7.170 40 30 JKEBRN COc1ccc(OC)c(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c1 ZINC000028219513 556325669 /nfs/dbraw/zinc/32/56/69/556325669.db2.gz ZNYGXPLXIFKQNO-CCVNUDIWSA-N 0 0 494.016 6.570 40 30 JKEBRN COc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c(OC)c1 ZINC000028219505 556325703 /nfs/dbraw/zinc/32/57/03/556325703.db2.gz KDOZCKJMQFYYFQ-CCVNUDIWSA-N 0 0 494.016 6.570 40 30 JKEBRN CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)ccc1OCc1cccc2ccccc21 ZINC000028503386 556334496 /nfs/dbraw/zinc/33/44/96/556334496.db2.gz VEHANXJEPXCDQW-LOQVVCBSSA-N 0 0 480.564 5.349 40 30 JKEBRN COCc1cc(C)nc(N=NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c1C#N ZINC000028640881 556338699 /nfs/dbraw/zinc/33/86/99/556338699.db2.gz DRGSGNQPEURKRY-NVJOKUIPSA-N 0 0 468.916 5.234 40 30 JKEBRN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c(C)c1 ZINC000030823053 556375411 /nfs/dbraw/zinc/37/54/11/556375411.db2.gz CJWKGTSOTKFNTC-RUZDIDTESA-N 0 0 464.612 5.734 40 30 JKEBRN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c(C)c1 ZINC000030823052 556375422 /nfs/dbraw/zinc/37/54/22/556375422.db2.gz CJWKGTSOTKFNTC-VWLOTQADSA-N 0 0 464.612 5.734 40 30 JKEBRN C=C1C[C@H]2[C@@H]3C[C@H]4OC(C)(C)O[C@@]4(C(=O)/C=C/c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000031647557 556401049 /nfs/dbraw/zinc/40/10/49/556401049.db2.gz OQULFLVTKZQDJS-BRGFWFNTSA-N 0 0 486.652 6.467 40 30 JKEBRN c1ccc2c(c1)cccc2CN=Nc1nnc(N=NCc2cccc3ccccc32)c2ccccc21 ZINC000031670024 556401479 /nfs/dbraw/zinc/40/14/79/556401479.db2.gz GQTLVDUTCISNAX-QXLZFTBOSA-N 0 0 466.548 6.828 40 30 JKEBRN CCOc1cc(C=NNc2cn[nH]c(=O)c2Br)ccc1OCc1c(F)cccc1Cl ZINC000031783742 556404296 /nfs/dbraw/zinc/40/42/96/556404296.db2.gz NYRWYLXYDQKIPF-OPVMPGTRSA-N 0 0 495.736 5.161 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3cccc([N+](=O)[O-])c3)sc2NC(=O)c2ccc(F)cc2)cc1 ZINC000031829212 556408302 /nfs/dbraw/zinc/40/83/02/556408302.db2.gz SNBHVAQDUCQRRH-WGARJPEWSA-N 0 0 475.505 5.864 40 30 JKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C\c1ccc(C)cc1 ZINC000031840472 556408832 /nfs/dbraw/zinc/40/88/32/556408832.db2.gz HDPZGEIGUACCAU-ZCXUNETKSA-N 0 0 461.590 7.176 40 30 JKEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccccc2)C2=C1CCCC2=O ZINC000032099738 556416232 /nfs/dbraw/zinc/41/62/32/556416232.db2.gz CVGNCFIOUVMTFE-UHFFFAOYSA-N 0 0 476.016 6.742 40 30 JKEBRN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000032114456 556421062 /nfs/dbraw/zinc/42/10/62/556421062.db2.gz LGPSIVVPXFXLTL-XODNFHPESA-N 0 0 463.320 7.420 40 30 JKEBRN COc1cc(Br)c(Br)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O ZINC000032112074 556421090 /nfs/dbraw/zinc/42/10/90/556421090.db2.gz RFJIJHPXSDGALS-ZVBGSRNCSA-N 0 0 470.161 5.271 40 30 JKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000032116831 556425495 /nfs/dbraw/zinc/42/54/95/556425495.db2.gz KBJHDTGJNUJNEF-FYJGNVAPSA-N 0 0 497.985 6.300 40 30 JKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3Cl)c1)C1=C(CCCC1=O)N2 ZINC000032116823 556425497 /nfs/dbraw/zinc/42/54/97/556425497.db2.gz NNIBBLODYQOCRY-UHFFFAOYSA-N 0 0 468.380 6.273 40 30 JKEBRN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 ZINC000032121353 556426248 /nfs/dbraw/zinc/42/62/48/556426248.db2.gz NVMVEGJLOSMSQX-STKMKYKTSA-N 0 0 471.560 7.134 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 ZINC000032124746 556427708 /nfs/dbraw/zinc/42/77/08/556427708.db2.gz FMGHLSIBNLIKBY-BSRLHWHNSA-N 0 0 454.636 5.469 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C=O)c4cc(Br)ccc43)sc2C1 ZINC000032124842 556427839 /nfs/dbraw/zinc/42/78/39/556427839.db2.gz NFQDWRLREJNLOV-HNNXBMFYSA-N 0 0 498.446 5.939 40 30 JKEBRN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000032124901 556428191 /nfs/dbraw/zinc/42/81/91/556428191.db2.gz XBILMMRLAANTFS-ZMOGYAJESA-N 0 0 450.907 5.300 40 30 JKEBRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=N\Nc2ccc(C)cc2)cc1 ZINC000032598171 556450156 /nfs/dbraw/zinc/45/01/56/556450156.db2.gz SHPWTJMSHSQDJM-WQQDDYOMSA-N 0 0 469.570 5.846 40 30 JKEBRN Brc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000032644230 556465463 /nfs/dbraw/zinc/46/54/63/556465463.db2.gz STCFLDKYOVXKJW-QFEZKATASA-N 0 0 464.388 6.598 40 30 JKEBRN N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000032697289 556471987 /nfs/dbraw/zinc/47/19/87/556471987.db2.gz NFLSGAHLPNLJJV-UHFFFAOYSA-N 0 0 450.523 6.092 40 30 JKEBRN CC(C)(C)P(=N/C(=N/c1ccccc1)c1ccccc1)(N1CCCCC1)N1CCCCC1 ZINC000032714660 556473045 /nfs/dbraw/zinc/47/30/45/556473045.db2.gz DXIXHAAPFVKZGC-BYCLXTJYSA-N 0 0 450.611 7.566 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(C)C)CC[C@@]4(C(=O)OC)CC[C@]32C)[C@]1(C)CCC#N ZINC000253505274 560037611 /nfs/dbraw/zinc/03/76/11/560037611.db2.gz SSMJLECJBRBDME-VEFNTJBSSA-N 0 0 467.738 7.957 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(C)C)CC[C@]4(C(=O)OC)CC[C@]32C)[C@@]1(C)CCC#N ZINC000253505283 560037617 /nfs/dbraw/zinc/03/76/17/560037617.db2.gz SSMJLECJBRBDME-YEXOVZDVSA-N 0 0 467.738 7.957 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(C)C)CC[C@]4(C(=O)OC)CC[C@]32C)[C@]1(C)CCC#N ZINC000253505278 560037619 /nfs/dbraw/zinc/03/76/19/560037619.db2.gz SSMJLECJBRBDME-XMNBMREMSA-N 0 0 467.738 7.957 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@H]1CC[C@@]2(C(=O)OC)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 ZINC000253501222 560037873 /nfs/dbraw/zinc/03/78/73/560037873.db2.gz XXCPTCZYFSRIGU-UNPHHKTCSA-N 0 0 468.722 7.386 40 30 biogenic,in-vitro JKEBRN C=C(C)[C@H]1CC[C@]2(C(=O)OC)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 ZINC000253501221 560037902 /nfs/dbraw/zinc/03/79/02/560037902.db2.gz XXCPTCZYFSRIGU-QRMLXMIYSA-N 0 0 468.722 7.386 40 30 biogenic,in-vitro JKEBRN O/N=C1C(=C/c2ccc(Cl)c(Cl)c2)/CCC[C@@H]/1[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000038185702 563133120 /nfs/dbraw/zinc/13/31/20/563133120.db2.gz WJLNMDAGYMKYBT-PZSQGGRFSA-N 0 0 460.188 7.034 40 30 JKEBRN CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@H](O)c1ccccc1 ZINC000051943751 563204736 /nfs/dbraw/zinc/20/47/36/563204736.db2.gz OFBANDBMHLEMFA-LMSSTIIKSA-N 0 0 474.730 6.018 40 30 in-vitro JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2C1 ZINC000057335636 569599007 /nfs/dbraw/zinc/59/90/07/569599007.db2.gz KWCCGYVANMSMRR-CQSZACIVSA-N 0 0 475.452 6.329 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000059193814 569602383 /nfs/dbraw/zinc/60/23/83/569602383.db2.gz WHXNTWSGFFHZSV-JFLMPSFJSA-N 0 0 477.973 6.446 40 30 JKEBRN Cc1sc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1-c1ccccc1 ZINC000059193796 569602389 /nfs/dbraw/zinc/60/23/89/569602389.db2.gz APAUNABDDHLZKE-MZJWZYIUSA-N 0 0 468.409 7.450 40 30 JKEBRN Cc1sc(N=NCc2ccc(OCc3c(F)cccc3Cl)cc2)nc1-c1ccccc1 ZINC000059193913 569602397 /nfs/dbraw/zinc/60/23/97/569602397.db2.gz IKBIDAYTIQBWBK-MZJWZYIUSA-N 0 0 451.954 6.936 40 30 JKEBRN Fc1ccc(COc2ccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000059418309 569603203 /nfs/dbraw/zinc/60/32/03/569603203.db2.gz GRUFTKZHUHQPFZ-VUTHCHCSSA-N 0 0 489.599 5.016 40 30 JKEBRN Fc1ccccc1COc1ccccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000059418304 569603205 /nfs/dbraw/zinc/60/32/05/569603205.db2.gz YDVIFLSOQNLFAV-VUTHCHCSSA-N 0 0 489.599 5.016 40 30 JKEBRN Fc1ccc(COc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000059418305 569603214 /nfs/dbraw/zinc/60/32/14/569603214.db2.gz LZBDIOBKLCQBNQ-VUTHCHCSSA-N 0 0 489.599 5.016 40 30 JKEBRN Fc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 ZINC000059418357 569603236 /nfs/dbraw/zinc/60/32/36/569603236.db2.gz OCWDHDNDVJSQNW-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN Fc1ccccc1COc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 ZINC000059418355 569603246 /nfs/dbraw/zinc/60/32/46/569603246.db2.gz OFLSDDIJTLMFAY-RDRPBHBLSA-N 0 0 483.551 5.380 40 30 JKEBRN Fc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000059418343 569603275 /nfs/dbraw/zinc/60/32/75/569603275.db2.gz CDVWYJKHKDOTTP-NDZAJKAJSA-N 0 0 497.578 5.770 40 30 JKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(I)cc1 ZINC000059426348 569603435 /nfs/dbraw/zinc/60/34/35/569603435.db2.gz OJGKYVGQBDBXFF-DHRITJCHSA-N 0 0 485.394 6.261 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C1=N\c1ccccc1 ZINC000059426431 569603468 /nfs/dbraw/zinc/60/34/68/569603468.db2.gz VTFHEEZOSIPCML-LISDSOCTSA-N 0 0 465.918 6.298 40 30 JKEBRN O=c1c2c3c(sc2ncn1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)CCCC3 ZINC000059433757 569603741 /nfs/dbraw/zinc/60/37/41/569603741.db2.gz WIFLVAIGJCLNOE-KVSWJAHQSA-N 0 0 484.408 6.105 40 30 JKEBRN COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)c(OC)c1 ZINC000059435473 569603810 /nfs/dbraw/zinc/60/38/10/569603810.db2.gz VGXASTPWJQCIQI-SECKTWPTSA-N 0 0 463.965 5.124 40 30 JKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc2ccccc21 ZINC000059433747 569603816 /nfs/dbraw/zinc/60/38/16/569603816.db2.gz IIAHACTVFOLZHY-KBVAKVRCSA-N 0 0 480.568 5.985 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(C)cc1 ZINC000059459536 569604077 /nfs/dbraw/zinc/60/40/77/569604077.db2.gz IFJIPNRBSLPBBQ-AUVLXEPYSA-N 0 0 489.619 6.341 40 30 JKEBRN Cc1cc(C)c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3s2)c(C)c1 ZINC000059461300 569604184 /nfs/dbraw/zinc/60/41/84/569604184.db2.gz GYDNTYJMUFBFBL-KKMKTNMSSA-N 0 0 496.057 7.062 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461386 569604250 /nfs/dbraw/zinc/60/42/50/569604250.db2.gz GUSSJHUXAOBGJB-CPMCUDQDSA-N 0 0 462.958 7.109 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463715 569604288 /nfs/dbraw/zinc/60/42/88/569604288.db2.gz JWMBZDAZXTUYHC-DHRITJCHSA-N 0 0 454.338 7.443 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000059463663 569604291 /nfs/dbraw/zinc/60/42/91/569604291.db2.gz AMBFWTHATXKGMF-ZVHZXABRSA-N 0 0 464.344 6.898 40 30 JKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463728 569604307 /nfs/dbraw/zinc/60/43/07/569604307.db2.gz JTDBLZSWAQFYEQ-ZMOGYAJESA-N 0 0 464.890 6.698 40 30 JKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc4c(c3)Cc3ccccc3-4)sc2c1 ZINC000059472556 569604389 /nfs/dbraw/zinc/60/43/89/569604389.db2.gz NPBCIUUTIILVFL-FJEPWZHXSA-N 0 0 499.060 8.269 40 30 JKEBRN Clc1ccc(/C=N/c2ccc3nc(SCc4ccc5c(c4)Cc4ccccc4-5)sc3c2)cc1 ZINC000059472554 569604424 /nfs/dbraw/zinc/60/44/24/569604424.db2.gz YDWITARXLGAJQF-OKCVXOCRSA-N 0 0 483.061 8.564 40 30 JKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463798 569604461 /nfs/dbraw/zinc/60/44/61/569604461.db2.gz SZZGJJYWYOCQIE-JFLMPSFJSA-N 0 0 473.554 6.770 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474805 569604504 /nfs/dbraw/zinc/60/45/04/569604504.db2.gz RQWRWXAXDFWDQN-FSJBWODESA-N 0 0 464.528 5.392 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474791 569604541 /nfs/dbraw/zinc/60/45/41/569604541.db2.gz ZIPFVHQIMRRRNW-WYMPLXKRSA-N 0 0 482.974 6.339 40 30 JKEBRN O=C(CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1)NC[C@@H]1CCCO1 ZINC000059474849 569604599 /nfs/dbraw/zinc/60/45/99/569604599.db2.gz NSINNWUQTQRKCG-ZFVWIKOCSA-N 0 0 480.442 5.741 40 30 JKEBRN Clc1ccc(-c2sc(N=NCc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 ZINC000059475136 569604705 /nfs/dbraw/zinc/60/47/05/569604705.db2.gz COUARDFYSKWUFQ-LGJNPRDNSA-N 0 0 458.801 7.883 40 30 JKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000059483075 569604855 /nfs/dbraw/zinc/60/48/55/569604855.db2.gz LKWXPOMEOORSHF-NDENLUEZSA-N 0 0 454.309 5.926 40 30 JKEBRN CCCCOc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000059483018 569604906 /nfs/dbraw/zinc/60/49/06/569604906.db2.gz RCXIIKXOJDTSEE-IWBSIUBASA-N 0 0 471.604 8.136 40 30 JKEBRN Fc1ccc(/C=N/c2ccc3nc(SC(c4ccccc4)c4ccccc4)sc3c2)cc1 ZINC000059483357 569604942 /nfs/dbraw/zinc/60/49/42/569604942.db2.gz TVHMCUPMVCYBEU-RDRPBHBLSA-N 0 0 454.595 8.068 40 30 JKEBRN Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)cc1Cl ZINC000059483471 569604979 /nfs/dbraw/zinc/60/49/79/569604979.db2.gz OWDWEFCAVPHFHK-RPPGKUMJSA-N 0 0 486.449 7.393 40 30 JKEBRN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3s2)cc1 ZINC000059483398 569604992 /nfs/dbraw/zinc/60/49/92/569604992.db2.gz ZLSMACWIDHNLSX-ZMOGYAJESA-N 0 0 478.555 5.695 40 30 JKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000059483342 569605003 /nfs/dbraw/zinc/60/50/03/569605003.db2.gz MKWBHICKXHHBCJ-STBIYBPSSA-N 0 0 487.049 8.288 40 30 JKEBRN Cc1ccc(-c2nc(N=NCc3ccc(OCc4ccccc4)cc3)sc2-c2ccccc2)cc1 ZINC000059484317 569605112 /nfs/dbraw/zinc/60/51/12/569605112.db2.gz PWVNFNIDAKMUKD-AJBULDERSA-N 0 0 475.617 7.811 40 30 JKEBRN Fc1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3s2)c2ccccc12 ZINC000059488365 569605396 /nfs/dbraw/zinc/60/53/96/569605396.db2.gz NXNGPRCQCZZHOZ-VFLNYLIXSA-N 0 0 497.447 8.938 40 30 JKEBRN C[C@@H](Sc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1)C(=O)Nc1nccs1 ZINC000059488191 569605414 /nfs/dbraw/zinc/60/54/14/569605414.db2.gz HXCQDNNVBGZAIE-VTGBELTLSA-N 0 0 469.573 5.531 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccc(C)cc2)ccc1Oc1ccccc1 ZINC000059488286 569605427 /nfs/dbraw/zinc/60/54/27/569605427.db2.gz DHFGVCPZUKAKAF-NJZRLIGZSA-N 0 0 459.549 7.399 40 30 JKEBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/n1c(C)nnc1SCc1ccccc1 ZINC000059489970 569606002 /nfs/dbraw/zinc/60/60/02/569606002.db2.gz BHBVRXHGJVHXTK-NSRYLYFRSA-N 0 0 464.595 5.438 40 30 JKEBRN O=[N+]([O-])c1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000059506161 569606322 /nfs/dbraw/zinc/60/63/22/569606322.db2.gz OHQUVXOAYGSEAL-VHPZECMTSA-N 0 0 473.576 7.223 40 30 JKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514368 569606342 /nfs/dbraw/zinc/60/63/42/569606342.db2.gz BVOOYFNNTNFCSC-ZVHZXABRSA-N 0 0 462.487 5.268 40 30 JKEBRN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c2ccccc12 ZINC000059514398 569606346 /nfs/dbraw/zinc/60/63/46/569606346.db2.gz WEEXEGJJWNTEBD-MTDXEUNCSA-N 0 0 461.529 5.967 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514360 569606395 /nfs/dbraw/zinc/60/63/95/569606395.db2.gz CRCYFHAWXYJKKV-PXLXIMEGSA-N 0 0 489.509 5.104 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000059514479 569606505 /nfs/dbraw/zinc/60/65/05/569606505.db2.gz TVSXLXSIMXXSSI-PXLXIMEGSA-N 0 0 478.957 5.850 40 30 JKEBRN Cc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c(C)n1-c1ccccc1 ZINC000059514421 569606517 /nfs/dbraw/zinc/60/65/17/569606517.db2.gz HJWHNLNQEPXLMU-OVVQPSECSA-N 0 0 452.566 5.069 40 30 JKEBRN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000059534828 569606555 /nfs/dbraw/zinc/60/65/55/569606555.db2.gz BDUXBIGLKHHVAU-UMCVIYGXSA-N 0 0 493.632 7.074 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000059536239 569606566 /nfs/dbraw/zinc/60/65/66/569606566.db2.gz PXSBCEAILCJDTB-YSURURNPSA-N 0 0 460.814 5.442 40 30 JKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000059566358 569606925 /nfs/dbraw/zinc/60/69/25/569606925.db2.gz AIFQOKKKEILRRG-UDWIEESQSA-N 0 0 499.306 6.039 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc(Br)c1O ZINC000059566773 569606963 /nfs/dbraw/zinc/60/69/63/569606963.db2.gz HGXIVEAELKSGPT-ZSOIEALJSA-N 0 0 488.190 5.752 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(/C=N/c3c(-c4cccc([N+](=O)[O-])c4)nc4ccccn43)o2)cc1 ZINC000059596627 569607036 /nfs/dbraw/zinc/60/70/36/569607036.db2.gz OEHVMMOWFABOFB-OGLMXYFKSA-N 0 0 480.480 6.097 40 30 JKEBRN CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(N)ccc1C ZINC000059663157 569607301 /nfs/dbraw/zinc/60/73/01/569607301.db2.gz SZVVAXNHRLCFPO-UHFFFAOYSA-N 0 0 452.749 7.459 40 30 JKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000059663728 569607304 /nfs/dbraw/zinc/60/73/04/569607304.db2.gz GQPLUAIOVLZJRW-UHFFFAOYSA-N 0 0 497.031 7.756 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000059720534 569607588 /nfs/dbraw/zinc/60/75/88/569607588.db2.gz KZSZIKCPLWGLGK-PYWPZVNCSA-N 0 0 496.032 7.464 40 30 JKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000059679538 569607589 /nfs/dbraw/zinc/60/75/89/569607589.db2.gz PUHRLXAUXDMHJO-KCSSXMTESA-N 0 0 495.692 7.963 40 30 JKEBRN COc1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 ZINC000059679678 569607597 /nfs/dbraw/zinc/60/75/97/569607597.db2.gz ZGXUMINPWJDFIF-FDAWAROLSA-N 0 0 497.664 7.354 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000059794915 569607668 /nfs/dbraw/zinc/60/76/68/569607668.db2.gz FSYPHILSNJOZAE-UHFFFAOYSA-N 0 0 477.815 5.586 40 30 JKEBRN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000059958967 569608226 /nfs/dbraw/zinc/60/82/26/569608226.db2.gz PAKNTPWPRYYAQC-UHFFFAOYSA-N 0 0 494.672 7.445 40 30 JKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000059959554 569608266 /nfs/dbraw/zinc/60/82/66/569608266.db2.gz HEYQNRKIEXJLFJ-CNXRAYQQSA-N 0 0 464.525 5.515 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000033375672 569625290 /nfs/dbraw/zinc/62/52/90/569625290.db2.gz YGVWIRWKQRFSNF-WGARJPEWSA-N 0 0 483.908 5.215 40 30 JKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000033376090 569625292 /nfs/dbraw/zinc/62/52/92/569625292.db2.gz CKLGZIIVLSHRLX-MIXAMLLLSA-N 0 0 454.526 5.807 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc(OCC)c1O ZINC000033529250 569627436 /nfs/dbraw/zinc/62/74/36/569627436.db2.gz NVPPCTHOXLOXCS-BRHJTBNZSA-N 0 0 468.663 6.457 40 30 JKEBRN O=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000033535052 569627476 /nfs/dbraw/zinc/62/74/76/569627476.db2.gz LLBATFUNKXFNDU-ULVCWHGLSA-N 0 0 468.066 7.068 40 30 JKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000033552688 569627805 /nfs/dbraw/zinc/62/78/05/569627805.db2.gz WFIRKXIVVZKRQA-UHFFFAOYSA-N 0 0 450.608 5.514 40 30 JKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000033580571 569628281 /nfs/dbraw/zinc/62/82/81/569628281.db2.gz DQSUCRAKDAQKFE-DSTPSKMHSA-N 0 0 461.675 7.032 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCC4)sc2C1 ZINC000033600665 569628564 /nfs/dbraw/zinc/62/85/64/569628564.db2.gz LZVVKTKMDMWFNZ-LBPRGKRZSA-N 0 0 494.608 5.799 40 30 JKEBRN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033603241 569628658 /nfs/dbraw/zinc/62/86/58/569628658.db2.gz QTQHQXSBFCJACU-HNNXBMFYSA-N 0 0 452.967 5.500 40 30 JKEBRN N#Cc1ccccc1COc1c(Cl)cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000033615913 569628900 /nfs/dbraw/zinc/62/89/00/569628900.db2.gz JLLURNGTRKGTSP-UHFFFAOYSA-N 0 0 496.463 5.937 40 30 JKEBRN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000033696360 569630955 /nfs/dbraw/zinc/63/09/55/569630955.db2.gz DMZLEXQOBAIAMA-UHFFFAOYSA-N 0 0 472.423 5.773 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C ZINC000033728095 569632337 /nfs/dbraw/zinc/63/23/37/569632337.db2.gz XQZIWPHVFCZVHF-VULFUBBASA-N 0 0 485.451 5.254 40 30 JKEBRN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000033732265 569632575 /nfs/dbraw/zinc/63/25/75/569632575.db2.gz OQRSLXKIRNQAQP-UHFFFAOYSA-N 0 0 462.550 5.375 40 30 JKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000033738516 569633010 /nfs/dbraw/zinc/63/30/10/569633010.db2.gz RYHLPIDXVXGYFX-KKOPTWAASA-N 0 0 452.595 6.797 40 30 JKEBRN O=C(CO/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)Nc1ccccc1 ZINC000033742012 569633188 /nfs/dbraw/zinc/63/31/88/569633188.db2.gz QOCGIGOPYFICDL-MXAYSNPKSA-N 0 0 457.299 5.156 40 30 JKEBRN CCCCCC(=C\c1ccccc1)/C=N\NC(=S)N/N=C\C(=C/c1ccccc1)CCCCC ZINC000033766441 569634037 /nfs/dbraw/zinc/63/40/37/569634037.db2.gz LGNIKDPAZKTRIY-ADEYQGAVSA-N 0 0 474.718 7.750 40 30 JKEBRN COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000033768819 569634061 /nfs/dbraw/zinc/63/40/61/569634061.db2.gz QNXWAPWKEQPBPV-RQBVCSNNSA-N 0 0 455.366 6.811 40 30 JKEBRN C#CCOc1ccc(OC)cc1/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N ZINC000033783028 569634748 /nfs/dbraw/zinc/63/47/48/569634748.db2.gz OVQLZFDKEWXVDH-BIZUNTBRSA-N 0 0 492.531 6.274 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000033853230 569636301 /nfs/dbraw/zinc/63/63/01/569636301.db2.gz JZTTXWRIMPFYGW-HNNXBMFYSA-N 0 0 461.418 5.863 40 30 JKEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000033864166 569636547 /nfs/dbraw/zinc/63/65/47/569636547.db2.gz AWEVPOPVPAJINJ-INIZCTEOSA-N 0 0 499.434 5.001 40 30 JKEBRN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)o1 ZINC000033909122 569637385 /nfs/dbraw/zinc/63/73/85/569637385.db2.gz KYODKQCEVKLJHY-DADJGAKYSA-N 0 0 495.560 7.280 40 30 JKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)cc1 ZINC000033932448 569638027 /nfs/dbraw/zinc/63/80/27/569638027.db2.gz XLLACHCNVFOXIT-PJIRNLIGSA-N 0 0 491.584 5.113 40 30 JKEBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC[C@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000033937850 569639102 /nfs/dbraw/zinc/63/91/02/569639102.db2.gz RQSSZUNRONENJF-CABVPQMVSA-N 0 0 478.501 5.276 40 30 JKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000033959408 569639475 /nfs/dbraw/zinc/63/94/75/569639475.db2.gz LNPBGIMDMAMUHR-VIDUOOSHSA-N 0 0 458.568 6.804 40 30 JKEBRN CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/N(C)C ZINC000034393732 569640076 /nfs/dbraw/zinc/64/00/76/569640076.db2.gz HLQYBQRAZGDTII-BQYQJAHWSA-N 0 0 453.905 5.055 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)nc1 ZINC000034367620 569640109 /nfs/dbraw/zinc/64/01/09/569640109.db2.gz HTLCIMYFCZVHPA-OPVMPGTRSA-N 0 0 479.693 5.570 40 30 JKEBRN C=CCc1cc(/C=N/NC(=S)NCC)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000034689031 569645572 /nfs/dbraw/zinc/64/55/72/569645572.db2.gz ADJHSVDUIXZDBE-BRJLIKDPSA-N 0 0 452.407 5.127 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1 ZINC000034761206 569657829 /nfs/dbraw/zinc/65/78/29/569657829.db2.gz ZATIJXUZNKNHKI-YVRPRTCJSA-N 0 0 476.690 6.481 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000034890298 569669384 /nfs/dbraw/zinc/66/93/84/569669384.db2.gz JOUIPCWYBZILDF-CQSZACIVSA-N 0 0 487.050 6.205 40 30 JKEBRN O=C1/C(=C/c2ccccc2I)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000035085233 569674508 /nfs/dbraw/zinc/67/45/08/569674508.db2.gz WTOAXKKLDJQSOB-WELATPIXSA-N 0 0 482.346 6.100 40 30 JKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035086947 569674606 /nfs/dbraw/zinc/67/46/06/569674606.db2.gz BOXJVOIXORDSOA-OAQYLSRUSA-N 0 0 465.579 5.100 40 30 JKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000035124866 569675243 /nfs/dbraw/zinc/67/52/43/569675243.db2.gz PFVJTSVWDVNFRP-OAHLLOKOSA-N 0 0 461.418 5.863 40 30 JKEBRN C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccnc2ccccc21 ZINC000065336747 569675263 /nfs/dbraw/zinc/67/52/63/569675263.db2.gz CEEKKKKVGBEIOA-IBCKNBQWSA-N 0 0 486.729 5.605 40 30 JKEBRN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000035131791 569675557 /nfs/dbraw/zinc/67/55/57/569675557.db2.gz UKSXMYUDMCTMKC-JOCHJYFZSA-N 0 0 499.036 5.228 40 30 JKEBRN N#Cc1ccc(Oc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1C#N ZINC000035140525 569675656 /nfs/dbraw/zinc/67/56/56/569675656.db2.gz AQQVQTJLXGALMV-UHFFFAOYSA-N 0 0 491.459 6.280 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147163 569675856 /nfs/dbraw/zinc/67/58/56/569675856.db2.gz UDUBRBAUUIAKKM-HHHXNRCGSA-N 0 0 485.580 5.396 40 30 JKEBRN COc1ccc(CCN2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1OC ZINC000035147232 569675905 /nfs/dbraw/zinc/67/59/05/569675905.db2.gz QYFXQCCAMUSJNF-HSBSSIIGSA-N 0 0 487.527 5.064 40 30 JKEBRN CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147263 569676069 /nfs/dbraw/zinc/67/60/69/569676069.db2.gz YYYOMBPYEHTFAU-TUXAZYHTSA-N 0 0 497.591 5.487 40 30 JKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000035147497 569676131 /nfs/dbraw/zinc/67/61/31/569676131.db2.gz SECXPVRSFNAOPE-DEOSSOPVSA-N 0 0 485.471 5.036 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000035152644 569676270 /nfs/dbraw/zinc/67/62/70/569676270.db2.gz ZYEBWSCDPYFGPL-OAHLLOKOSA-N 0 0 461.418 5.863 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccccc3)c2c1 ZINC000035164032 569676411 /nfs/dbraw/zinc/67/64/11/569676411.db2.gz QDMKLWGCRSPTMA-NXRHPMPYSA-N 0 0 478.548 5.397 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)Cc3ccccc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164308 569676567 /nfs/dbraw/zinc/67/65/67/569676567.db2.gz UZQBLUAPEJPUAO-LJAQVGFWSA-N 0 0 494.591 5.489 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)Cc4ccccc4)[C@H]3c3ccccc3F)c2c1 ZINC000035164302 569676615 /nfs/dbraw/zinc/67/66/15/569676615.db2.gz HFKFQDRKLWPASS-HHHXNRCGSA-N 0 0 484.527 5.066 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)c2c1 ZINC000035164971 569676798 /nfs/dbraw/zinc/67/67/98/569676798.db2.gz BOZFQUQPGAGQPN-MHZLTWQESA-N 0 0 496.563 5.315 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)c2c1 ZINC000035164860 569676817 /nfs/dbraw/zinc/67/68/17/569676817.db2.gz CXAONEAFPABVMA-SANMLTNESA-N 0 0 482.536 5.006 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccnc3)c2c1 ZINC000035165219 569676903 /nfs/dbraw/zinc/67/69/03/569676903.db2.gz AJSYVDZPLGSHFN-DEOSSOPVSA-N 0 0 487.943 5.046 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000035165063 569676906 /nfs/dbraw/zinc/67/69/06/569676906.db2.gz BHNMBWKQTGDSTK-SANMLTNESA-N 0 0 482.536 5.012 40 30 JKEBRN CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035165017 569676921 /nfs/dbraw/zinc/67/69/21/569676921.db2.gz KEELZUDTRWPZKO-NDEPHWFRSA-N 0 0 494.591 5.868 40 30 JKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3F)c2c1 ZINC000035165127 569676963 /nfs/dbraw/zinc/67/69/63/569676963.db2.gz RVHJOEGFZUXXBZ-VWLOTQADSA-N 0 0 488.490 5.276 40 30 JKEBRN N=C1S[C@@H](/C(=N/c2ccccc2)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000035183108 569677759 /nfs/dbraw/zinc/67/77/59/569677759.db2.gz QPVVBGYBWRXTIT-LTGQZINPSA-N 0 0 468.025 7.759 40 30 JKEBRN CCCCN(CCCC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc(OC(C)=O)cc2)cc1 ZINC000035196387 569678052 /nfs/dbraw/zinc/67/80/52/569678052.db2.gz UVTZUQURGWURPF-OVVQPSECSA-N 0 0 498.652 5.169 40 30 JKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000035240138 569678682 /nfs/dbraw/zinc/67/86/82/569678682.db2.gz CODKEHAMLZUZLQ-BRJLIKDPSA-N 0 0 476.827 5.653 40 30 JKEBRN CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000035351632 569681666 /nfs/dbraw/zinc/68/16/66/569681666.db2.gz QEVKSBXRTQUUCE-UHFFFAOYSA-N 0 0 466.618 6.664 40 30 JKEBRN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000035352911 569681879 /nfs/dbraw/zinc/68/18/79/569681879.db2.gz OKHFDPXOLVDZAO-UHFFFAOYSA-N 0 0 479.661 6.628 40 30 JKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000035352944 569681883 /nfs/dbraw/zinc/68/18/83/569681883.db2.gz XBAXOYRRMTXVHQ-OAQYLSRUSA-N 0 0 489.472 6.499 40 30 JKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000035386021 569686856 /nfs/dbraw/zinc/68/68/56/569686856.db2.gz VBRDRAWVANTVAH-ZDUSSCGKSA-N 0 0 481.836 6.208 40 30 JKEBRN O=S(=O)(O[C@@H](c1ccccc1)[C@@H](OS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000068569594 569691257 /nfs/dbraw/zinc/69/12/57/569691257.db2.gz YFSAOGHETCWAAA-UIOOFZCWSA-N 0 0 494.590 5.280 40 30 JKEBRN N#CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568579 569691263 /nfs/dbraw/zinc/69/12/63/569691263.db2.gz XDVOHXVWJNEFGQ-UHFFFAOYSA-N 0 0 473.126 6.300 40 30 JKEBRN C[C@@H](CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068591384 569691428 /nfs/dbraw/zinc/69/14/28/569691428.db2.gz VPNWMJAVJKPMOO-VKHMYHEASA-N 0 0 478.142 5.624 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Br)cc1 ZINC000071234038 569696069 /nfs/dbraw/zinc/69/60/69/569696069.db2.gz XPIUDGTVKBGCRT-UHFFFAOYSA-N 0 0 479.403 5.778 40 30 JKEBRN CSC1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)NC(=O)N1c1ccccc1 ZINC000071195182 569696108 /nfs/dbraw/zinc/69/61/08/569696108.db2.gz KNLCMAFWOOLUPU-OAQYLSRUSA-N 0 0 479.399 6.178 40 30 JKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(Br)c3)c(C)c2s1 ZINC000072228727 569700546 /nfs/dbraw/zinc/70/05/46/569700546.db2.gz QYKQDSDALBHBHP-ROTLSHHCSA-N 0 0 475.412 6.134 40 30 JKEBRN CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000072230235 569700847 /nfs/dbraw/zinc/70/08/47/569700847.db2.gz IUHVMCGVSJTPTD-VULFUBBASA-N 0 0 476.433 5.763 40 30 JKEBRN CC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000072230229 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/nfs/dbraw/zinc/77/64/71/569776471.db2.gz IJVGBYBDNOJTBB-UHFFFAOYSA-N 0 0 451.790 8.395 40 30 JKEBRN COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000100933743 569776483 /nfs/dbraw/zinc/77/64/83/569776483.db2.gz CRMMTCNCRHOWRJ-MSXFZWOLSA-N 0 0 453.361 6.499 40 30 JKEBRN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1C=c1c(C)c(C#N)c2nc3ccccc3n2c1=O ZINC000100936185 569776582 /nfs/dbraw/zinc/77/65/82/569776582.db2.gz ALZXWBKJJOMNHK-MHWRWJLKSA-N 0 0 476.323 5.486 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000100953493 569777705 /nfs/dbraw/zinc/77/77/05/569777705.db2.gz QSKGIYXYULYGAZ-NODVXYSWSA-N 0 0 463.375 7.535 40 30 JKEBRN CCOC(=O)c1cccc(-c2ccc(/C=N\c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)o2)c1 ZINC000100956958 569777913 /nfs/dbraw/zinc/77/79/13/569777913.db2.gz UACICUFGOJBDDP-YKQZZPSBSA-N 0 0 498.604 7.067 40 30 JKEBRN Cc1ccc(S(=O)(=O)N[C@H]2CCCCCCCCCC/C2=N/OC(=O)Cc2ccccc2)cc1 ZINC000100967807 569777998 /nfs/dbraw/zinc/77/79/98/569777998.db2.gz 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CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)C)cc1)Nc1ccccc1-2 ZINC000101007199 569778997 /nfs/dbraw/zinc/77/89/97/569778997.db2.gz AEEULKPYNBIWSH-DEOSSOPVSA-N 0 0 464.635 6.891 40 30 JKEBRN N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036628671 569779151 /nfs/dbraw/zinc/77/91/51/569779151.db2.gz XVGGNKZXEBALCG-FPYGCLRLSA-N 0 0 487.774 5.639 40 30 JKEBRN Cc1cccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccc(C(C)(C)C)cc4)nc3C#N)CC2)c1 ZINC000036629235 569779329 /nfs/dbraw/zinc/77/93/29/569779329.db2.gz XZVMSXLDWXNSBI-JLHYYAGUSA-N 0 0 484.600 5.050 40 30 JKEBRN N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036629265 569779374 /nfs/dbraw/zinc/77/93/74/569779374.db2.gz GDSZBDASOJISNC-GQCTYLIASA-N 0 0 459.358 5.047 40 30 JKEBRN CCCCCCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000101018229 569779606 /nfs/dbraw/zinc/77/96/06/569779606.db2.gz HQBHVTGNJNEYKV-LYBHJNIJSA-N 0 0 453.604 7.066 40 30 JKEBRN S=C(C(=CNn1cc(-c2ccc(Br)cc2)nn1)c1ccccc1)c1ccccc1 ZINC000101086052 569781884 /nfs/dbraw/zinc/78/18/84/569781884.db2.gz ZKEIUFMAUFZFGV-FNGGKGOZSA-N 0 0 461.388 6.040 40 30 JKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cc2ccccc2o1 ZINC000101159525 569785031 /nfs/dbraw/zinc/78/50/31/569785031.db2.gz KCOAETSBUMMWAI-UHFFFAOYSA-N 0 0 473.583 5.732 40 30 JKEBRN CCOC(=O)c1c(/N=C\c2cc(Br)ccc2O)sc2c1CCN(Cc1ccccc1)C2 ZINC000101206662 569787096 /nfs/dbraw/zinc/78/70/96/569787096.db2.gz OBRHGWACSDMRTO-ZMFRSBBQSA-N 0 0 499.430 5.702 40 30 JKEBRN O=C(CCC1CCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101304887 569791006 /nfs/dbraw/zinc/79/10/06/569791006.db2.gz ZIVNFAZXSCYDSC-ILHTVEFGSA-N 0 0 484.643 5.051 40 30 JKEBRN Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101308024 569791089 /nfs/dbraw/zinc/79/10/89/569791089.db2.gz OLKYDTARNHTIRT-DWOUOJOESA-N 0 0 493.050 5.088 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)N1CC ZINC000101375640 569795237 /nfs/dbraw/zinc/79/52/37/569795237.db2.gz 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ZINC000408811793 570049296 /nfs/dbraw/zinc/04/92/96/570049296.db2.gz RSKVJBKJWGAZEP-FXXWCRQVSA-N 0 0 476.622 6.042 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc1OCC ZINC000408811968 570049421 /nfs/dbraw/zinc/04/94/21/570049421.db2.gz MHQRJBQDRFEIBP-UHFFFAOYSA-N 0 0 478.377 5.176 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000408812909 570049607 /nfs/dbraw/zinc/04/96/07/570049607.db2.gz CCFFYYOVNSKREI-JAIQZWGSSA-N 0 0 478.397 6.366 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408813172 570049704 /nfs/dbraw/zinc/04/97/04/570049704.db2.gz PUJKCFUVQLMCGA-CFRMEGHHSA-N 0 0 486.666 6.415 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)S2)cc1 ZINC000408813381 570049717 /nfs/dbraw/zinc/04/97/17/570049717.db2.gz PKCGCBZGYWHWRM-QQXSKIMKSA-N 0 0 485.008 7.272 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c2ccccc21 ZINC000408813144 570049726 /nfs/dbraw/zinc/04/97/26/570049726.db2.gz 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570050509 /nfs/dbraw/zinc/05/05/09/570050509.db2.gz RZUHRBSJIKHUND-UHFFFAOYSA-N 0 0 456.281 5.969 40 30 JKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408816039 570050512 /nfs/dbraw/zinc/05/05/12/570050512.db2.gz KGOIITAPFIFIFP-NDZAJKAJSA-N 0 0 464.590 6.795 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408816369 570050588 /nfs/dbraw/zinc/05/05/88/570050588.db2.gz JMRLMQXEKHLGTL-BKUYFWCQSA-N 0 0 485.392 6.473 40 30 JKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(Br)c(Cl)c3)NC2=O)o1 ZINC000408816700 570050724 /nfs/dbraw/zinc/05/07/24/570050724.db2.gz ULNYUZOZDMZTCT-GDNBJRDFSA-N 0 0 454.777 5.433 40 30 JKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c2ccccc21 ZINC000408817506 570050911 /nfs/dbraw/zinc/05/09/11/570050911.db2.gz XTUMTZUNDVCQDB-MOSHPQCFSA-N 0 0 452.377 5.790 40 30 JKEBRN O=C1CCCC2=C1[C@@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)Nc1ccc3ccccc3c12 ZINC000408818013 570051054 /nfs/dbraw/zinc/05/10/54/570051054.db2.gz XPVFWVGKMWZZNV-JGCGQSQUSA-N 0 0 472.563 7.655 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)c(C)c1 ZINC000408817993 570051094 /nfs/dbraw/zinc/05/10/94/570051094.db2.gz XMUKVRUKWPIBGO-MOSHPQCFSA-N 0 0 452.377 5.748 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408818172 570051154 /nfs/dbraw/zinc/05/11/54/570051154.db2.gz NFCRJVOELKTFCY-XKZIYDEJSA-N 0 0 499.419 6.781 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000408818046 570051172 /nfs/dbraw/zinc/05/11/72/570051172.db2.gz ZCNICPDNDVQYFZ-JLPGSUDCSA-N 0 0 475.541 6.383 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)SC1=S ZINC000408818055 570051175 /nfs/dbraw/zinc/05/11/75/570051175.db2.gz XRTQSOUMOCASCQ-LHLOQNFPSA-N 0 0 478.642 7.199 40 30 JKEBRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000408818748 570051250 /nfs/dbraw/zinc/05/12/50/570051250.db2.gz QKVTUKQAQZRQRN-PXNMLYILSA-N 0 0 463.740 5.219 40 30 JKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)cc(C)c1)CCCC2 ZINC000408818809 570051260 /nfs/dbraw/zinc/05/12/60/570051260.db2.gz PAELOBOZTKYKOG-RWPZCVJISA-N 0 0 467.034 7.299 40 30 JKEBRN CCOC(=O)c1c(Cl)c(CN=Nc2ccc([N+](=O)[O-])cn2)oc1Nc1ccc(Cl)cc1 ZINC000408819406 570051515 /nfs/dbraw/zinc/05/15/15/570051515.db2.gz RXYQOSCPCFHTAF-RMORIDSASA-N 0 0 464.265 5.256 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccc(/C=N/c2ccc(Cl)cc2)o1)Cc1ccc(Cl)cc1 ZINC000408819375 570051551 /nfs/dbraw/zinc/05/15/51/570051551.db2.gz QKULGUPQJSPNIO-LQKURTRISA-N 0 0 499.419 6.728 40 30 JKEBRN Cc1nc(N)c(C#N)c(-c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1-c1ccccc1 ZINC000408820555 570051859 /nfs/dbraw/zinc/05/18/59/570051859.db2.gz YOFRGJFWDJGWMH-UHFFFAOYSA-N 0 0 475.979 7.564 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408820682 570051891 /nfs/dbraw/zinc/05/18/91/570051891.db2.gz ZGKHETFCNBDXKG-UHFFFAOYSA-N 0 0 464.792 5.739 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408820757 570051893 /nfs/dbraw/zinc/05/18/93/570051893.db2.gz ZSNDEZIJNGTDOO-UHFFFAOYSA-N 0 0 462.776 5.186 40 30 JKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c2ccccc21 ZINC000408820597 570051894 /nfs/dbraw/zinc/05/18/94/570051894.db2.gz XCTZMLHGPRETJA-NDENLUEZSA-N 0 0 453.951 5.058 40 30 JKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc21 ZINC000408820541 570051897 /nfs/dbraw/zinc/05/18/97/570051897.db2.gz YKLFFCFRRKUREC-SVUGQILASA-N 0 0 470.662 7.190 40 30 JKEBRN Cc1ccc(CN(Cc2ccc(/C=N/c3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408824388 570052326 /nfs/dbraw/zinc/05/23/26/570052326.db2.gz HKAINJSMUDCILO-UXHLAJHPSA-N 0 0 486.637 6.655 40 30 JKEBRN Cc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408825990 570052443 /nfs/dbraw/zinc/05/24/43/570052443.db2.gz SHXKGZKJPAXCEE-MSXFZWOLSA-N 0 0 484.650 5.293 40 30 JKEBRN Cc1c(-c2ccc(/C=N\c3sc4c(c3C(=O)NCc3ccccc3)CCCC4)o2)cccc1[N+](=O)[O-] ZINC000408837532 570053239 /nfs/dbraw/zinc/05/32/39/570053239.db2.gz HYRCQWBMDIAOGR-LQNQUEJISA-N 0 0 499.592 6.784 40 30 JKEBRN COc1cccc2c(/C=N/c3ccc(I)cc3)c(-c3ccccc3)[nH]c21 ZINC000408837407 570053267 /nfs/dbraw/zinc/05/32/67/570053267.db2.gz DXRHUVGUBRCDLO-ZVHZXABRSA-N 0 0 452.295 6.199 40 30 JKEBRN COc1ccc(C)cc1/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000408837118 570053317 /nfs/dbraw/zinc/05/33/17/570053317.db2.gz YZCBSCCWXNJLGP-RDRPBHBLSA-N 0 0 488.609 6.047 40 30 JKEBRN O=S(=O)(c1ccccc1)N(Cc1ccc(/C=N/c2ccc(F)cc2)o1)Cc1ccc(Cl)cc1 ZINC000408837013 570053328 /nfs/dbraw/zinc/05/33/28/570053328.db2.gz XUGJDRDKDKLXQJ-LQKURTRISA-N 0 0 482.964 6.214 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCC)c(OCC)c1 ZINC000408840518 570053634 /nfs/dbraw/zinc/05/36/34/570053634.db2.gz CENXFAWNSRANBR-OAQYLSRUSA-N 0 0 467.949 5.269 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000408841344 570053720 /nfs/dbraw/zinc/05/37/20/570053720.db2.gz GKIPRHLZSHDGOT-VWLOTQADSA-N 0 0 485.967 6.051 40 30 JKEBRN COc1ccc(/N=C2/S/C(=C\c3ccc(Br)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408841720 570053785 /nfs/dbraw/zinc/05/37/85/570053785.db2.gz KAMPGFWVVIBPNA-MKIITAJQSA-N 0 0 495.398 6.275 40 30 JKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccccc1 ZINC000408841836 570053806 /nfs/dbraw/zinc/05/38/06/570053806.db2.gz HWHJHPKWTHGHRN-SDOFRJHVSA-N 0 0 485.008 8.025 40 30 JKEBRN CC(C)c1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(C(C)C)c1O ZINC000408843279 570053975 /nfs/dbraw/zinc/05/39/75/570053975.db2.gz FFCBNNMVECAXGF-LEGKVYBRSA-N 0 0 484.665 7.312 40 30 JKEBRN COC(=O)c1ccc(/N=C2\S/C(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)C(=O)N2C)cc1 ZINC000408843905 570054080 /nfs/dbraw/zinc/05/40/80/570054080.db2.gz BEHPADPYQCRCMG-VRQKRQCLSA-N 0 0 452.576 5.659 40 30 JKEBRN C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408844422 570054251 /nfs/dbraw/zinc/05/42/51/570054251.db2.gz IMWSBLSIDSSSQM-FFKKSUQSSA-N 0 0 466.606 6.632 40 30 JKEBRN COc1ccc(Cl)cc1/N=C/c1c(C)n(-c2ccc(Br)cc2)c(C)c1Br ZINC000408844763 570054289 /nfs/dbraw/zinc/05/42/89/570054289.db2.gz CZNYQACEWYNEDW-BHGWPJFGSA-N 0 0 496.630 7.032 40 30 JKEBRN Cc1c(Br)c(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408845036 570054324 /nfs/dbraw/zinc/05/43/24/570054324.db2.gz JRHRDYYXMMVHNK-WGARJPEWSA-N 0 0 488.267 7.667 40 30 JKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Br)cc1 ZINC000408844989 570054337 /nfs/dbraw/zinc/05/43/37/570054337.db2.gz JIJDJAJMKIAJFX-MYKKPKGFSA-N 0 0 455.312 5.394 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1OC(C)=O ZINC000408844965 570054365 /nfs/dbraw/zinc/05/43/65/570054365.db2.gz DRYLBZXEGGKUHI-VYYCAZPPSA-N 0 0 466.559 5.225 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1CC ZINC000408845609 570054485 /nfs/dbraw/zinc/05/44/85/570054485.db2.gz KSCSUSGKHOOUJQ-UYLZVCPASA-N 0 0 479.827 5.994 40 30 JKEBRN Cc1c(Br)c(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000408845606 570054496 /nfs/dbraw/zinc/05/44/96/570054496.db2.gz HXJUYNQDYANDEO-BKUYFWCQSA-N 0 0 480.431 6.365 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1Br ZINC000408846264 570054612 /nfs/dbraw/zinc/05/46/12/570054612.db2.gz IBWXZKCFIOWCKT-ZDLGFXPLSA-N 0 0 479.783 5.568 40 30 JKEBRN Brc1cc(/C=N\c2ccccc2Br)oc1I ZINC000408846831 570054670 /nfs/dbraw/zinc/05/46/70/570054670.db2.gz LCYFYIPUNOCSHX-UUASQNMZSA-N 0 0 454.887 5.160 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(OCC)c(OCC)cc1Cl ZINC000408846668 570054699 /nfs/dbraw/zinc/05/46/99/570054699.db2.gz YECHFBGBMIPWHF-JOCHJYFZSA-N 0 0 467.949 5.269 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000408847267 570054808 /nfs/dbraw/zinc/05/48/08/570054808.db2.gz UPEXTZKENQMLFV-SANMLTNESA-N 0 0 481.548 5.406 40 30 JKEBRN Cc1c(Br)c(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(Br)cc1 ZINC000408847311 570054832 /nfs/dbraw/zinc/05/48/32/570054832.db2.gz TVJDAMKPWMHIIF-BHGWPJFGSA-N 0 0 480.631 7.332 40 30 JKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000408847244 570054840 /nfs/dbraw/zinc/05/48/40/570054840.db2.gz UKWDHONMXVDUFA-AREMUKBSSA-N 0 0 499.538 5.545 40 30 JKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CC ZINC000408847602 570054907 /nfs/dbraw/zinc/05/49/07/570054907.db2.gz QQBLQZVCOIXIAW-VJNSTGJUSA-N 0 0 480.373 5.793 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408848147 570055019 /nfs/dbraw/zinc/05/50/19/570055019.db2.gz QGOFXFCYYJQDIB-OYKKKHCWSA-N 0 0 486.528 5.937 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2 ZINC000408849074 570055163 /nfs/dbraw/zinc/05/51/63/570055163.db2.gz UHCXIHRLQIBCNQ-YUMHPJSZSA-N 0 0 471.538 6.798 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408850150 570055354 /nfs/dbraw/zinc/05/53/54/570055354.db2.gz GYZUFMVOQVKWLF-GDNBJRDFSA-N 0 0 452.761 5.187 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000408849995 570055265 /nfs/dbraw/zinc/05/52/65/570055265.db2.gz CLXAOLICFJAABK-XKZIYDEJSA-N 0 0 450.947 5.819 40 30 JKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C(=O)N1CC ZINC000408850585 570055384 /nfs/dbraw/zinc/05/53/84/570055384.db2.gz OPVKQRDOWCHQEN-BLEOTABNSA-N 0 0 460.599 6.130 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408850830 570055454 /nfs/dbraw/zinc/05/54/54/570055454.db2.gz RUTRRDWMELDYFZ-WQRHYEAKSA-N 0 0 491.794 5.323 40 30 JKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000408851344 570055644 /nfs/dbraw/zinc/05/56/44/570055644.db2.gz BQEOJUFPMKOUPK-MWLSYYOVSA-N 0 0 475.013 7.852 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408851787 570055763 /nfs/dbraw/zinc/05/57/63/570055763.db2.gz NZUMGUBZCUXUCU-YOWMWEAPSA-N 0 0 462.615 6.443 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408851786 570055787 /nfs/dbraw/zinc/05/57/87/570055787.db2.gz NZUMGUBZCUXUCU-JZTPWKODSA-N 0 0 462.615 6.443 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408851565 570055800 /nfs/dbraw/zinc/05/58/00/570055800.db2.gz LEVXONKTJHYWCQ-ZEGLZJJTSA-N 0 0 479.371 5.098 40 30 JKEBRN Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1I ZINC000408852683 570055922 /nfs/dbraw/zinc/05/59/22/570055922.db2.gz MORSTZGVIKKOLJ-UDWIEESQSA-N 0 0 467.104 5.819 40 30 JKEBRN CCOc1cc(C=NNc2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408853532 570055948 /nfs/dbraw/zinc/05/59/48/570055948.db2.gz VALZVLWWSQCUBB-ZRGSRPPYSA-N 0 0 495.204 6.575 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408854316 570056123 /nfs/dbraw/zinc/05/61/23/570056123.db2.gz CIYFGXMCKNCDNR-ONUIUJJFSA-N 0 0 467.569 6.792 40 30 JKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408854749 570056229 /nfs/dbraw/zinc/05/62/29/570056229.db2.gz CDDJSJUSNDXDNV-FBHDLOMBSA-N 0 0 467.728 6.514 40 30 JKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(C)n1-c1ccc(F)cc1 ZINC000408855116 570056281 /nfs/dbraw/zinc/05/62/81/570056281.db2.gz CDLZTMDXQQFKBG-LQNQUEJISA-N 0 0 471.601 7.176 40 30 JKEBRN CCCCc1ccc(/N=C/c2c(C)n(-c3ccc(Br)cc3)c(C)c2Br)cc1 ZINC000408854852 570056307 /nfs/dbraw/zinc/05/63/07/570056307.db2.gz KALMMIIDCSQZDR-CVKSISIWSA-N 0 0 488.267 7.712 40 30 JKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccccc2OCc2ccccc2F)sc2c1CCCC2 ZINC000408855457 570056355 /nfs/dbraw/zinc/05/63/55/570056355.db2.gz FFSZQAUBCPNNAO-ACXHZZMFSA-N 0 0 488.584 6.619 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S/C1=N\c1ccccc1 ZINC000408855542 570056362 /nfs/dbraw/zinc/05/63/62/570056362.db2.gz GASQAPQQIOSMRW-FNTHOURJSA-N 0 0 454.979 6.251 40 30 JKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S/C1=N\c1ccccc1 ZINC000408855545 570056408 /nfs/dbraw/zinc/05/64/08/570056408.db2.gz GASQAPQQIOSMRW-FWDGFQIWSA-N 0 0 454.979 6.251 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(Br)c1O ZINC000408855415 570056432 /nfs/dbraw/zinc/05/64/32/570056432.db2.gz DDPDDBHUBQQQGZ-GATIEOLUSA-N 0 0 489.391 5.377 40 30 JKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S/C1=N\c1ccccc1 ZINC000408855538 570056461 /nfs/dbraw/zinc/05/64/61/570056461.db2.gz GASQAPQQIOSMRW-FAUXONJGSA-N 0 0 454.979 6.251 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(OC)c1OC ZINC000408856058 570056473 /nfs/dbraw/zinc/05/64/73/570056473.db2.gz HCUQFPYAFZSMGD-WOPGRKHHSA-N 0 0 466.603 5.895 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000408856364 570056535 /nfs/dbraw/zinc/05/65/35/570056535.db2.gz GFSFVWYQQOFTPL-QQXSKIMKSA-N 0 0 484.552 6.458 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Br)c1OC ZINC000408856388 570056555 /nfs/dbraw/zinc/05/65/55/570056555.db2.gz HZLGDBUWRBIGKX-WGARJPEWSA-N 0 0 499.430 6.410 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OC ZINC000408856380 570056560 /nfs/dbraw/zinc/05/65/60/570056560.db2.gz GHTVSDXCZBMOSF-XYYREDEPSA-N 0 0 450.604 6.277 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)S1 ZINC000408857018 570056621 /nfs/dbraw/zinc/05/66/21/570056621.db2.gz JEYDWFHMUGWWMO-ROTLSHHCSA-N 0 0 482.996 6.415 40 30 JKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1 ZINC000408856577 570056647 /nfs/dbraw/zinc/05/66/47/570056647.db2.gz HQLIALOKPPFCKS-KMYLYRRBSA-N 0 0 451.592 5.299 40 30 JKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)c1O ZINC000408856580 570056693 /nfs/dbraw/zinc/05/66/93/570056693.db2.gz KJPDZUHDLPBXEP-CFFWXSDVSA-N 0 0 472.610 6.724 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000408857703 570056790 /nfs/dbraw/zinc/05/67/90/570056790.db2.gz LTGFJRPVWUUWOI-GRSHGNNSSA-N 0 0 479.772 6.807 40 30 JKEBRN CCc1ccc(/N=C2\S/C(=C\c3cc(OC)ccc3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408857761 570056810 /nfs/dbraw/zinc/05/68/10/570056810.db2.gz WKWJQUUZOWUNFK-BGTPXQLESA-N 0 0 472.610 6.637 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)S/C1=N\c1ccccc1 ZINC000408858155 570056884 /nfs/dbraw/zinc/05/68/84/570056884.db2.gz MYXBEECMABFNHW-FNTHOURJSA-N 0 0 499.430 6.361 40 30 JKEBRN COc1ccc(Br)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000408858583 570056899 /nfs/dbraw/zinc/05/68/99/570056899.db2.gz UEZSSSDTLKAEMB-QFEZKATASA-N 0 0 469.404 6.401 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC#N ZINC000408858183 570056903 /nfs/dbraw/zinc/05/69/03/570056903.db2.gz XJLUKKKYSDXVII-PNXCQIEESA-N 0 0 475.614 6.170 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1OCC(C)C ZINC000408858811 570056949 /nfs/dbraw/zinc/05/69/49/570056949.db2.gz PTDCLIFGSLCJLV-DUPRQXJUSA-N 0 0 496.648 7.196 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408858841 570057047 /nfs/dbraw/zinc/05/70/47/570057047.db2.gz 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JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1 ZINC000408861173 570057309 /nfs/dbraw/zinc/05/73/09/570057309.db2.gz OPVZPMBJOPFTKD-CFRMEGHHSA-N 0 0 473.985 6.243 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000408860867 570057313 /nfs/dbraw/zinc/05/73/13/570057313.db2.gz GWNUUKWNPOMBLT-YSMPRRRNSA-N 0 0 486.040 7.160 40 30 JKEBRN Cc1c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000408862423 570057432 /nfs/dbraw/zinc/05/74/32/570057432.db2.gz YQLPTAXRHHYMBV-QFEZKATASA-N 0 0 490.003 6.991 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000408861329 570057442 /nfs/dbraw/zinc/05/74/42/570057442.db2.gz CCTIPPRBRKRTJM-FMCGGJTJSA-N 0 0 482.964 6.267 40 30 JKEBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1 ZINC000408861567 570057453 /nfs/dbraw/zinc/05/74/53/570057453.db2.gz SPKCNKAEAWANRT-UUYOSTAYSA-N 0 0 451.979 5.956 40 30 JKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Br ZINC000408863103 570057541 /nfs/dbraw/zinc/05/75/41/570057541.db2.gz KZNFBVZZJDKXLZ-ZDLGFXPLSA-N 0 0 463.784 5.867 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OC(C)C ZINC000408862895 570057548 /nfs/dbraw/zinc/05/75/48/570057548.db2.gz JDWWVKBQKOUCCX-WCKQDYEWSA-N 0 0 464.631 6.665 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OCc1ccccc1C#N ZINC000408862747 570057567 /nfs/dbraw/zinc/05/75/67/570057567.db2.gz IADXYYLCOMQCFQ-YSMPRRRNSA-N 0 0 499.592 5.745 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408862938 570057574 /nfs/dbraw/zinc/05/75/74/570057574.db2.gz JLPNZFJGDLXDBN-IEPPUROZSA-N 0 0 498.490 6.698 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1OCC ZINC000408862877 570057575 /nfs/dbraw/zinc/05/75/75/570057575.db2.gz JASMHEMLKPCXIQ-ODLFYWEKSA-N 0 0 477.369 5.304 40 30 JKEBRN Cc1cccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)cc2)c1 ZINC000408863264 570057580 /nfs/dbraw/zinc/05/75/80/570057580.db2.gz LNPTZHLGHHOKPW-NIPYRAOYSA-N 0 0 496.676 7.757 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc12 ZINC000408863923 570057611 /nfs/dbraw/zinc/05/76/11/570057611.db2.gz RSSMUUROBWODQV-VCJJYSKGSA-N 0 0 456.611 7.031 40 30 JKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC#N ZINC000408863529 570057631 /nfs/dbraw/zinc/05/76/31/570057631.db2.gz PAURDSSTOOQTDP-OKOYACJDSA-N 0 0 461.587 5.780 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)ccc2O)S/C1=N\c1ccccc1 ZINC000408864109 570057663 /nfs/dbraw/zinc/05/76/63/570057663.db2.gz SHJVFNLTKVZEPP-VPQZLOJSSA-N 0 0 471.420 6.337 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(C)C ZINC000408863650 570057667 /nfs/dbraw/zinc/05/76/67/570057667.db2.gz UAYAPTAGMPSHKM-ZFAAOADMSA-N 0 0 492.685 7.303 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408863985 570057689 /nfs/dbraw/zinc/05/76/89/570057689.db2.gz SECDKVQGEHSHFW-RBHCDMBDSA-N 0 0 450.604 6.277 40 30 JKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(C)C ZINC000408863652 570057690 /nfs/dbraw/zinc/05/76/90/570057690.db2.gz UAYAPTAGMPSHKM-ZJQNQQNASA-N 0 0 492.685 7.303 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408864068 570057695 /nfs/dbraw/zinc/05/76/95/570057695.db2.gz SFYJPSWXYSDGBF-FMCGGJTJSA-N 0 0 478.501 5.034 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1Br ZINC000408864361 570057782 /nfs/dbraw/zinc/05/77/82/570057782.db2.gz UULPREWAIDUZRK-OQQMXVPDSA-N 0 0 485.447 6.640 40 30 JKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000408864587 570057793 /nfs/dbraw/zinc/05/77/93/570057793.db2.gz YDPXCNTVOZGVOQ-UCQKPKSFSA-N 0 0 475.526 5.382 40 30 JKEBRN COc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)c2C)cc1 ZINC000408864402 570057804 /nfs/dbraw/zinc/05/78/04/570057804.db2.gz ZWBWXRWTFILKQL-ADRXZACUSA-N 0 0 499.680 7.285 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000408864333 570057815 /nfs/dbraw/zinc/05/78/15/570057815.db2.gz YSCISDJFICXKPG-UUYOSTAYSA-N 0 0 485.392 6.473 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1Br ZINC000408864365 570057819 /nfs/dbraw/zinc/05/78/19/570057819.db2.gz UULPREWAIDUZRK-XWHUXBOCSA-N 0 0 485.447 6.640 40 30 JKEBRN CC1=CC(O)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000245240124 570057971 /nfs/dbraw/zinc/05/79/71/570057971.db2.gz OIEKVVDJPPURMU-OKKSKUPUSA-N 0 0 488.709 6.392 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc12 ZINC000408865912 570057995 /nfs/dbraw/zinc/05/79/95/570057995.db2.gz CPFGIEBWXKYVMZ-OAAMCGJHSA-N 0 0 470.638 7.421 40 30 JKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 ZINC000408865627 570058073 /nfs/dbraw/zinc/05/80/73/570058073.db2.gz DGFSNQFOHJKIBR-FCPMLIGISA-N 0 0 460.574 7.268 40 30 JKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc(OCC)c1O ZINC000408866296 570058217 /nfs/dbraw/zinc/05/82/17/570058217.db2.gz HELAQMWAFJXINN-JTGJOCGUSA-N 0 0 480.605 6.595 40 30 JKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000408866818 570058326 /nfs/dbraw/zinc/05/83/26/570058326.db2.gz IRNROXZUHWPSRE-ODLFYWEKSA-N 0 0 473.779 6.563 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408867619 570058473 /nfs/dbraw/zinc/05/84/73/570058473.db2.gz LPMOMVKTZZXFMF-UBXRAISJSA-N 0 0 470.638 7.421 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408867610 570058495 /nfs/dbraw/zinc/05/84/95/570058495.db2.gz LPMOMVKTZZXFMF-HIZIJIOZSA-N 0 0 470.638 7.421 40 30 JKEBRN C=CCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)csc1=NS(=O)(=O)c1ccc(C)cc1 ZINC000245241613 570058520 /nfs/dbraw/zinc/05/85/20/570058520.db2.gz KWKYKCXRDADYPH-UHFFFAOYSA-N 0 0 490.606 5.220 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc(Br)c1O ZINC000408867974 570058594 /nfs/dbraw/zinc/05/85/94/570058594.db2.gz MRMCSPWHCZMZJL-PXNMLYILSA-N 0 0 483.771 5.107 40 30 JKEBRN C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc21 ZINC000408870841 570059567 /nfs/dbraw/zinc/05/95/67/570059567.db2.gz VUTQXTDUNQTAFN-HIZIJIOZSA-N 0 0 469.654 7.318 40 30 JKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000408870852 570059673 /nfs/dbraw/zinc/05/96/73/570059673.db2.gz XACVXGURSLMYLY-WQRHYEAKSA-N 0 0 462.752 5.351 40 30 JKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)S1 ZINC000408871668 570059762 /nfs/dbraw/zinc/05/97/62/570059762.db2.gz ZQDZODLNMLMAGE-YVNNLAQVSA-N 0 0 486.424 6.610 40 30 JKEBRN O=C(NCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408871278 570059767 /nfs/dbraw/zinc/05/97/67/570059767.db2.gz XMHHRUJLVRKRDU-YPXUMCKCSA-N 0 0 484.261 5.611 40 30 JKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408871807 570059925 /nfs/dbraw/zinc/05/99/25/570059925.db2.gz XKNFYFMPZRAJNW-XSQQKSBCSA-N 0 0 471.420 6.337 40 30 JKEBRN O=C(NCc1ccc(/C=N/c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408872468 570060075 /nfs/dbraw/zinc/06/00/75/570060075.db2.gz DWVMDZZJMLMGHV-YSURURNPSA-N 0 0 495.160 5.354 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000408872599 570060080 /nfs/dbraw/zinc/06/00/80/570060080.db2.gz HACKPVKDVYEIHD-KIBLKLHPSA-N 0 0 464.736 5.554 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccccc1C#N ZINC000408872808 570060171 /nfs/dbraw/zinc/06/01/71/570060171.db2.gz JBUXQZQYPDAIKN-CFRMEGHHSA-N 0 0 489.984 5.999 40 30 JKEBRN C=CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408872798 570060180 /nfs/dbraw/zinc/06/01/80/570060180.db2.gz IYMISKANHDEVKP-UHFFFAOYSA-N 0 0 458.901 5.488 40 30 JKEBRN CCC1N=NC(=S)N1N=Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000408873421 570060293 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JKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C ZINC000408922979 570077605 /nfs/dbraw/zinc/07/76/05/570077605.db2.gz HYYCZIQUSXNQRN-DHRITJCHSA-N 0 0 484.896 5.889 40 30 JKEBRN COc1ccc(C2C3=C(CCCC3=O)N(CCc3ccccc3)C3=C2C(=O)CCC3)cc1OC ZINC000408923159 570077816 /nfs/dbraw/zinc/07/78/16/570077816.db2.gz OZAVRTUSTYFFIE-UHFFFAOYSA-N 0 0 457.570 5.360 40 30 JKEBRN CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000408924837 570078190 /nfs/dbraw/zinc/07/81/90/570078190.db2.gz RJLSCNDKRPMXKO-UHFFFAOYSA-N 0 0 486.052 6.453 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC ZINC000408926469 570078648 /nfs/dbraw/zinc/07/86/48/570078648.db2.gz NODYXAUKFITYGR-GBPBPLIESA-N 0 0 481.017 6.297 40 30 JKEBRN COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000408926741 570078649 /nfs/dbraw/zinc/07/86/49/570078649.db2.gz YAZHSFBPZAXRLL-DHRITJCHSA-N 0 0 479.385 5.202 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCC#N ZINC000408928259 570079022 /nfs/dbraw/zinc/07/90/22/570079022.db2.gz YSWLJCMCXQVSPX-RHANQZHGSA-N 0 0 459.571 5.218 40 30 JKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)C(=O)N1CC ZINC000408928477 570079034 /nfs/dbraw/zinc/07/90/34/570079034.db2.gz BUOYRKQDKKWTOP-LRXZINBSSA-N 0 0 489.435 5.739 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N1CC ZINC000408928459 570079035 /nfs/dbraw/zinc/07/90/35/570079035.db2.gz BNMAXROYGMUEOE-DRMKFXMXSA-N 0 0 459.011 5.938 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N/c1ccccc1 ZINC000408928488 570079131 /nfs/dbraw/zinc/07/91/31/570079131.db2.gz AHYQZQVUNHENOA-MGIMXWHHSA-N 0 0 476.554 5.374 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408928522 570079139 /nfs/dbraw/zinc/07/91/39/570079139.db2.gz AVXSMUHBUABIER-FYJGNVAPSA-N 0 0 498.988 5.043 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)S/C1=N/c1ccccc1 ZINC000408928777 570079141 /nfs/dbraw/zinc/07/91/41/570079141.db2.gz ILMRYOFAHICQPX-MGIMXWHHSA-N 0 0 476.554 5.374 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S/C1=N/c1ccccc1 ZINC000408928587 570079151 /nfs/dbraw/zinc/07/91/51/570079151.db2.gz CLIDUZPUUMUYRQ-PTGCCOHDSA-N 0 0 473.642 6.351 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N1CC ZINC000408928512 570079154 /nfs/dbraw/zinc/07/91/54/570079154.db2.gz CDBOFFHWAYVPSE-MNEJGJRCSA-N 0 0 477.605 6.124 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OC)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929065 570079213 /nfs/dbraw/zinc/07/92/13/570079213.db2.gz PUHCQYCFYQBDIF-YFGQCYJXSA-N 0 0 466.563 5.218 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)cc1OCC ZINC000408928813 570079225 /nfs/dbraw/zinc/07/92/25/570079225.db2.gz KJOVETZQUYFWOR-SPENCLSHSA-N 0 0 479.646 6.098 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408929103 570079250 /nfs/dbraw/zinc/07/92/50/570079250.db2.gz HAROADDOGNUXLS-JTNUTMTLSA-N 0 0 479.371 5.098 40 30 JKEBRN CCn1cc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)c2ccccc21 ZINC000408929288 570079310 /nfs/dbraw/zinc/07/93/10/570079310.db2.gz UUGQHGIJXNULOF-SJRNUSAWSA-N 0 0 458.631 6.275 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S/C1=N/c1ccccc1 ZINC000408929279 570079316 /nfs/dbraw/zinc/07/93/16/570079316.db2.gz UOBXRAADXLMIJG-SGXAETBLSA-N 0 0 497.414 6.350 40 30 JKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1CC ZINC000408929784 570079456 /nfs/dbraw/zinc/07/94/56/570079456.db2.gz OCSMGPQBIHFFMO-NHVGOCBKSA-N 0 0 465.402 5.893 40 30 JKEBRN C/N=C1/S/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C(=O)N1C ZINC000408929712 570079465 /nfs/dbraw/zinc/07/94/65/570079465.db2.gz MUYNAVWUGDEWMX-SIDOVAFHSA-N 0 0 481.799 5.222 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000408929971 570079468 /nfs/dbraw/zinc/07/94/68/570079468.db2.gz QGUXNTJQIJOEQZ-QACXOHACSA-N 0 0 451.375 5.643 40 30 JKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)N1C ZINC000408930185 570079556 /nfs/dbraw/zinc/07/95/56/570079556.db2.gz TVMBUVXTDVDCAE-GAGNVJRZSA-N 0 0 452.963 5.613 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)C(=O)N1CC ZINC000408930221 570079560 /nfs/dbraw/zinc/07/95/60/570079560.db2.gz UHCXFMZOFQQKMR-QTVFPPQESA-N 0 0 489.435 5.657 40 30 JKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1CC ZINC000408930176 570079586 /nfs/dbraw/zinc/07/95/86/570079586.db2.gz SXLHWDNMYKUBEY-LVKIEVKJSA-N 0 0 463.372 5.479 40 30 JKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C(=O)N1C ZINC000408930283 570079596 /nfs/dbraw/zinc/07/95/96/570079596.db2.gz UXIQYDFANIRUBR-NHZVUIOOSA-N 0 0 457.382 6.258 40 30 JKEBRN C/N=C1/S/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)C(=O)N1C ZINC000408930046 570079605 /nfs/dbraw/zinc/07/96/05/570079605.db2.gz RIELVLOWIHCJEC-GAGNVJRZSA-N 0 0 497.414 5.722 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930415 570079687 /nfs/dbraw/zinc/07/96/87/570079687.db2.gz WTJAHNGNAWUYQH-GNDHVBMESA-N 0 0 460.430 6.608 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)S/C1=N/c1ccccc1 ZINC000408930387 570079701 /nfs/dbraw/zinc/07/97/01/570079701.db2.gz WIQNBBQHZBKJMA-HTEZIOAISA-N 0 0 491.407 5.107 40 30 JKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C(=O)N1CC ZINC000408930308 570079706 /nfs/dbraw/zinc/07/97/06/570079706.db2.gz VDWULGJXVODHFH-OVUHUNGESA-N 0 0 462.974 5.769 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cc(C(C)C)c(OCC)cc2C)S/C1=N/c1ccccc1 ZINC000408930539 570079726 /nfs/dbraw/zinc/07/97/26/570079726.db2.gz YIDCBMZOCXBIIB-LTUYXDACSA-N 0 0 452.620 6.158 40 30 JKEBRN C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1C ZINC000408930508 570079730 /nfs/dbraw/zinc/07/97/30/570079730.db2.gz XYSHEOIOVUPFHR-OFHYRUQRSA-N 0 0 486.218 5.867 40 30 JKEBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000408930669 570079799 /nfs/dbraw/zinc/07/97/99/570079799.db2.gz AKOSSXUDAMJSQP-WGOQTCKBSA-N 0 0 496.361 5.524 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000408930674 570079824 /nfs/dbraw/zinc/07/98/24/570079824.db2.gz AMRALKKNFRAMBL-QDTIIGTASA-N 0 0 474.280 6.365 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408931037 570079939 /nfs/dbraw/zinc/07/99/39/570079939.db2.gz GISPUWHZONCFCR-NDZAJKAJSA-N 0 0 477.004 6.243 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408931009 570079942 /nfs/dbraw/zinc/07/99/42/570079942.db2.gz GAFUBFABKUVGRF-AJBULDERSA-N 0 0 491.031 6.633 40 30 JKEBRN Fc1ccc(COc2c(Cl)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Cl)cc1 ZINC000408930968 570079976 /nfs/dbraw/zinc/07/99/76/570079976.db2.gz FLTRCZMSKXIZOT-RWPZCVJISA-N 0 0 459.348 6.299 40 30 JKEBRN CC[C@H](C)Oc1c(I)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931189 570080009 /nfs/dbraw/zinc/08/00/09/570080009.db2.gz IEITYQKYFIYWJE-WTJYETQFSA-N 0 0 494.373 5.064 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931554 570080090 /nfs/dbraw/zinc/08/00/90/570080090.db2.gz NCALQJOZSNEVAZ-JVWAILMASA-N 0 0 481.936 5.423 40 30 JKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408931548 570080100 /nfs/dbraw/zinc/08/01/00/570080100.db2.gz NASFCQAHIFHOLR-UZWMFBFFSA-N 0 0 483.587 6.399 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1C#N ZINC000408931486 570080112 /nfs/dbraw/zinc/08/01/12/570080112.db2.gz MFOBWCOVOXOQFV-STBIYBPSSA-N 0 0 461.949 5.386 40 30 JKEBRN Ic1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 ZINC000408931435 570080130 /nfs/dbraw/zinc/08/01/30/570080130.db2.gz LOOJDYCVOXEVOL-YZSQISJMSA-N 0 0 498.364 5.457 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)S/C1=N\c1ccccc1 ZINC000408931557 570080134 /nfs/dbraw/zinc/08/01/34/570080134.db2.gz NCQIRBDPOZZEFI-BXCHBZDESA-N 0 0 460.603 5.438 40 30 JKEBRN C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931795 570080211 /nfs/dbraw/zinc/08/02/11/570080211.db2.gz QJRQKMAUIMMOAH-NEWZVLFWSA-N 0 0 495.601 5.613 40 30 JKEBRN Cc1ccc(NC(=O)Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 ZINC000408931781 570080221 /nfs/dbraw/zinc/08/02/21/570080221.db2.gz QENYMNXCYYISTO-RDRPBHBLSA-N 0 0 452.558 5.176 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)S/C1=N\c1ccccc1 ZINC000408931768 570080228 /nfs/dbraw/zinc/08/02/28/570080228.db2.gz QBNOOVXSDCEEEI-AUERHCTOSA-N 0 0 464.612 6.380 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)S1 ZINC000408931846 570080257 /nfs/dbraw/zinc/08/02/57/570080257.db2.gz QYJIXIBSXLKMDR-UNOMPAQXSA-N 0 0 461.896 6.350 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931804 570080266 /nfs/dbraw/zinc/08/02/66/570080266.db2.gz QNMVFIWBLSBTJK-VUTHCHCSSA-N 0 0 487.556 5.498 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S/C1=N\c1ccccc1 ZINC000408932138 570080327 /nfs/dbraw/zinc/08/03/27/570080327.db2.gz UNPMTPMFNAVGFF-YTFPPIDOSA-N 0 0 487.408 6.894 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408931939 570080354 /nfs/dbraw/zinc/08/03/54/570080354.db2.gz SIQAQKUJUWKYIB-OVVQPSECSA-N 0 0 461.518 5.160 40 30 JKEBRN Cc1cccc(COc2ccc(Br)cc2/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000408932460 570080480 /nfs/dbraw/zinc/08/04/80/570080480.db2.gz XFTXRYZGSFRUQP-WPWMEQJKSA-N 0 0 465.391 5.924 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408932911 570080645 /nfs/dbraw/zinc/08/06/45/570080645.db2.gz FRNSKYLOUKJWTI-WAMJVRJTSA-N 0 0 492.572 5.664 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc1Cl ZINC000408932910 570080651 /nfs/dbraw/zinc/08/06/51/570080651.db2.gz FRJUQNZKYQKECW-BUXPZJOUSA-N 0 0 491.396 5.264 40 30 JKEBRN Cc1ccc(NC(=O)Cn2cc(C=NNc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1 ZINC000408933012 570080684 /nfs/dbraw/zinc/08/06/84/570080684.db2.gz GPAMONQCYWXAQV-NUJZUDFISA-N 0 0 450.464 6.053 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408933003 570080676 /nfs/dbraw/zinc/08/06/76/570080676.db2.gz GMJDADPXUGIUHR-DSTPSKMHSA-N 0 0 488.609 5.915 40 30 JKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408932778 570080686 /nfs/dbraw/zinc/08/06/86/570080686.db2.gz ZFAAFURORRKJKZ-LQKURTRISA-N 0 0 454.929 5.654 40 30 JKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)c(C)c1 ZINC000408932889 570080694 /nfs/dbraw/zinc/08/06/94/570080694.db2.gz FMRWXGJKOZRZJP-XKZIYDEJSA-N 0 0 479.989 5.734 40 30 JKEBRN FC(F)(F)c1ccc(NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000408933359 570080784 /nfs/dbraw/zinc/08/07/84/570080784.db2.gz IVQAJQUSDKQBAJ-ULPWCQAASA-N 0 0 462.302 7.461 40 30 JKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408934054 570080881 /nfs/dbraw/zinc/08/08/81/570080881.db2.gz KXBHQCVXQFZNMT-NVJOKUIPSA-N 0 0 469.290 7.046 40 30 JKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934451 570080985 /nfs/dbraw/zinc/08/09/85/570080985.db2.gz ATRWXNFRGYYIQZ-TXDQDLALSA-N 0 0 458.605 8.124 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S/C1=N\c1ccc(OC)cc1 ZINC000408934534 570080997 /nfs/dbraw/zinc/08/09/97/570080997.db2.gz LUVSCZLUABRWIG-DADJGAKYSA-N 0 0 489.641 5.970 40 30 JKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cc(C)cc(C)c3)cc1)N2 ZINC000408934516 570081037 /nfs/dbraw/zinc/08/10/37/570081037.db2.gz BDSJOQNYABABDT-MYWOXBQUSA-N 0 0 498.670 8.768 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OCC ZINC000408934501 570081038 /nfs/dbraw/zinc/08/10/38/570081038.db2.gz BCRDUNPSRBXWOM-HZUBOICTSA-N 0 0 473.016 7.715 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3OCc3cc(C)cc(C)c3)cc1)N2 ZINC000408934513 570081046 /nfs/dbraw/zinc/08/10/46/570081046.db2.gz BDSJOQNYABABDT-ICCRYFPYSA-N 0 0 498.670 8.768 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408934494 570081053 /nfs/dbraw/zinc/08/10/53/570081053.db2.gz BCKARMRHRBYMQJ-ZBSDOATPSA-N 0 0 499.054 8.189 40 30 JKEBRN Brc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)oc1N1CCOCC1 ZINC000408934653 570081122 /nfs/dbraw/zinc/08/11/22/570081122.db2.gz CSMZGPZZODOITI-MFKUBSTISA-N 0 0 451.320 6.043 40 30 JKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OCc1cccc(Cl)c1 ZINC000408935054 570081136 /nfs/dbraw/zinc/08/11/36/570081136.db2.gz GDTNXJDTSPBOPH-LZYBPNLTSA-N 0 0 497.716 5.238 40 30 JKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408935746 570081362 /nfs/dbraw/zinc/08/13/62/570081362.db2.gz DOUSWOVYAPVKOV-OXWUDKEFSA-N 0 0 472.632 8.514 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408935994 570081369 /nfs/dbraw/zinc/08/13/69/570081369.db2.gz FKKKGSVYYWWKED-LNAYXSFYSA-N 0 0 483.409 7.038 40 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C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408936561 570081491 /nfs/dbraw/zinc/08/14/91/570081491.db2.gz GOSYNJXIMSEYBB-UUQTWXEZSA-N 0 0 483.409 7.038 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408936559 570081584 /nfs/dbraw/zinc/08/15/84/570081584.db2.gz GOSYNJXIMSEYBB-HGPMORKZSA-N 0 0 483.409 7.038 40 30 JKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408936625 570081615 /nfs/dbraw/zinc/08/16/15/570081615.db2.gz GZNJTOYYSPACBV-IDHNXLSESA-N 0 0 457.017 8.014 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408937077 570081637 /nfs/dbraw/zinc/08/16/37/570081637.db2.gz HROOPZSMWLNVNA-ZYXXKRPKSA-N 0 0 487.441 7.733 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccc6ccccc6c5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252483379 570081718 /nfs/dbraw/zinc/08/17/18/570081718.db2.gz DZYXGWASXRYMFK-DTRARMFNSA-N 0 0 468.637 7.297 40 30 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COc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408937964 570081912 /nfs/dbraw/zinc/08/19/12/570081912.db2.gz KBCQSBYRYCHGPJ-WNPYWFSYSA-N 0 0 473.414 7.343 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2Br)cc1 ZINC000408938181 570082040 /nfs/dbraw/zinc/08/20/40/570082040.db2.gz RXVJGTGRTCJZMH-ZRGSRPPYSA-N 0 0 494.267 6.401 40 30 JKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccnn5-c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252496308 570082108 /nfs/dbraw/zinc/08/21/08/570082108.db2.gz PGGFCLMQRKOKDA-RVMISRAMSA-N 0 0 484.640 6.329 40 30 JKEBRN COCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)S/C1=N\c1ccc(OC)cc1 ZINC000408938958 570082191 /nfs/dbraw/zinc/08/21/91/570082191.db2.gz STPFKLRERJMDBE-WAMJVRJTSA-N 0 0 492.572 5.664 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408939126 570082218 /nfs/dbraw/zinc/08/22/18/570082218.db2.gz LTEJRLQDPGWEBR-BREWHQDZSA-N 0 0 485.027 7.881 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000408939378 570082272 /nfs/dbraw/zinc/08/22/72/570082272.db2.gz MGXQYRCLXNECFI-VROXFSQNSA-N 0 0 495.706 6.488 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc(Br)ccc3O)cc1)N2 ZINC000408939504 570082314 /nfs/dbraw/zinc/08/23/14/570082314.db2.gz MULYZPRNEWXTIM-GZCWKIMISA-N 0 0 459.387 7.040 40 30 JKEBRN Fc1ccccc1COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Br ZINC000408939688 570082357 /nfs/dbraw/zinc/08/23/57/570082357.db2.gz TYHGIGGTKHCFHU-PPDIBHTLSA-N 0 0 467.260 6.632 40 30 JKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@@H]54)cc3)cc2)cc1 ZINC000408940267 570082422 /nfs/dbraw/zinc/08/24/22/570082422.db2.gz NRNUREUXEMTPBJ-VEROYXRLSA-N 0 0 491.034 8.496 40 30 JKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1OCc1ccccc1 ZINC000408940476 570082440 /nfs/dbraw/zinc/08/24/40/570082440.db2.gz OAPMGLFVLVBWSR-MPOQKBBYSA-N 0 0 486.615 7.851 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408940503 570082507 /nfs/dbraw/zinc/08/25/07/570082507.db2.gz OBENRVNLGPWAQV-ANNWOJBOSA-N 0 0 457.017 8.014 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)cc1)N2 ZINC000408940501 570082600 /nfs/dbraw/zinc/08/26/00/570082600.db2.gz OBEFDFDCGASPIO-XZPRDXHGSA-N 0 0 488.606 8.290 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408940617 570082602 /nfs/dbraw/zinc/08/26/02/570082602.db2.gz OIEUXSWJOKIIJI-JAPQFDORSA-N 0 0 450.582 7.146 40 30 JKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408941142 570082679 /nfs/dbraw/zinc/08/26/79/570082679.db2.gz ORLWUDNEFXLKER-KZCOLGKUSA-N 0 0 455.001 7.790 40 30 JKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408942212 570082843 /nfs/dbraw/zinc/08/28/43/570082843.db2.gz YFHBRGJMKLLKQO-JAPQFDORSA-N 0 0 452.598 7.370 40 30 JKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408942619 570082951 /nfs/dbraw/zinc/08/29/51/570082951.db2.gz ZTQNEJYYLNYVOR-AXAWFECKSA-N 0 0 452.598 7.451 40 30 JKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408942437 570082958 /nfs/dbraw/zinc/08/29/58/570082958.db2.gz QUJPVVAXNUBNKL-DMWGMLIQSA-N 0 0 470.616 8.151 40 30 JKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C1=N\c1ccccc1 ZINC000408942364 570082962 /nfs/dbraw/zinc/08/29/62/570082962.db2.gz XMHGICHNFGOSOO-BIFPGVLTSA-N 0 0 452.963 6.241 40 30 JKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Br)cc1F ZINC000408942379 570082965 /nfs/dbraw/zinc/08/29/65/570082965.db2.gz XPVSYEWRHVIWDX-RAWMCFOBSA-N 0 0 454.265 6.461 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3ccccc3)cc1)N2 ZINC000408942951 570083035 /nfs/dbraw/zinc/08/30/35/570083035.db2.gz RGEOORQPUFFWFK-IHTHXLKKSA-N 0 0 470.616 8.151 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br ZINC000408943307 570083037 /nfs/dbraw/zinc/08/30/37/570083037.db2.gz RPASBLXTLIABHJ-WNNHNUONSA-N 0 0 473.414 7.343 40 30 JKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408942993 570083068 /nfs/dbraw/zinc/08/30/68/570083068.db2.gz RLAMIGSJQKKQPK-KZCOLGKUSA-N 0 0 452.985 7.238 40 30 JKEBRN COCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408943128 570083089 /nfs/dbraw/zinc/08/30/89/570083089.db2.gz YBGVUWWFYWLYKL-WAMJVRJTSA-N 0 0 492.572 5.664 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4ccccc4F)cc3)cc1)N2 ZINC000408943923 570083171 /nfs/dbraw/zinc/08/31/71/570083171.db2.gz SSOHQHQGMWPGAI-PNPSRAFJSA-N 0 0 488.606 8.290 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943341 570083175 /nfs/dbraw/zinc/08/31/75/570083175.db2.gz SADJGQRZNZAFRV-LCFXPADGSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943342 570083176 /nfs/dbraw/zinc/08/31/76/570083176.db2.gz SADJGQRZNZAFRV-LDCJCKRGSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943340 570083185 /nfs/dbraw/zinc/08/31/85/570083185.db2.gz SADJGQRZNZAFRV-BMQFKMCRSA-N 0 0 491.034 8.496 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943343 570083210 /nfs/dbraw/zinc/08/32/10/570083210.db2.gz SADJGQRZNZAFRV-QYDGWAMYSA-N 0 0 491.034 8.496 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)cc1)N2 ZINC000408944693 570083262 /nfs/dbraw/zinc/08/32/62/570083262.db2.gz URIVKCOENDMKQE-ZODFHXADSA-N 0 0 498.670 8.768 40 30 JKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br ZINC000408944229 570083266 /nfs/dbraw/zinc/08/32/66/570083266.db2.gz UCQNVMMHURIODE-GSBUYOBVSA-N 0 0 459.387 7.035 40 30 JKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408944181 570083306 /nfs/dbraw/zinc/08/33/06/570083306.db2.gz TYALYFFEWOQHLR-MYKKPKGFSA-N 0 0 474.832 5.329 40 30 JKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408945335 570083409 /nfs/dbraw/zinc/08/34/09/570083409.db2.gz WGJCPMKWDJWOEC-IDHNXLSESA-N 0 0 497.436 7.347 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408946163 570083501 /nfs/dbraw/zinc/08/35/01/570083501.db2.gz YIFBDVXUDGVOSU-PNWXVDJLSA-N 0 0 471.000 7.491 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408945796 570083535 /nfs/dbraw/zinc/08/35/35/570083535.db2.gz XJKQPMQNZFBUEU-NSBSDQOHSA-N 0 0 483.011 7.246 40 30 JKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccccc3OCc3ccc(F)cc3)cc1)N2 ZINC000408946137 570083542 /nfs/dbraw/zinc/08/35/42/570083542.db2.gz YCPUPROVVADDPG-VFFOLYJSSA-N 0 0 488.606 8.290 40 30 JKEBRN Cc1cc(C)cc(COc2ccccc2/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 ZINC000408947153 570083603 /nfs/dbraw/zinc/08/36/03/570083603.db2.gz ZQRGQEYRBPKURH-KSZZRRNKSA-N 0 0 484.643 8.460 40 30 JKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc([C@@H]4Nc5ccccc5[C@@H]5C=CC[C@@H]54)cc3)cc2)c1 ZINC000408946485 570083639 /nfs/dbraw/zinc/08/36/39/570083639.db2.gz YUAOXHHKXILIEG-VEROYXRLSA-N 0 0 474.579 7.982 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1)c1ccccc1F ZINC000408947677 570083728 /nfs/dbraw/zinc/08/37/28/570083728.db2.gz BEJNNEZZUJXBJJ-LGJNPRDNSA-N 0 0 496.361 6.377 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Br)c3C)S2)cc1 ZINC000408949304 570083833 /nfs/dbraw/zinc/08/38/33/570083833.db2.gz ARQOGTHZSRVLCU-HYARGMPZSA-N 0 0 496.430 6.147 40 30 JKEBRN Cc1ccc(-c2cc(/N=C/c3cccc(OC(=O)c4ccccc4C)c3)n(-c3ccccc3)n2)cc1 ZINC000408949788 570083904 /nfs/dbraw/zinc/08/39/04/570083904.db2.gz GAPWXICGFRZKAB-RUMWWMSVSA-N 0 0 471.560 7.126 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408950512 570083942 /nfs/dbraw/zinc/08/39/42/570083942.db2.gz FVUDEPATOVFKLY-UYRXBGFRSA-N 0 0 457.386 5.742 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(Cl)cc1 ZINC000408950434 570083948 /nfs/dbraw/zinc/08/39/48/570083948.db2.gz DZRGWKNSEMWVCB-TUQWILOLSA-N 0 0 490.604 6.082 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OCC)c3)S2)cc1 ZINC000408950052 570083977 /nfs/dbraw/zinc/08/39/77/570083977.db2.gz DGDGARPXRJLHEH-DEDYPNTBSA-N 0 0 460.983 5.816 40 30 JKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1 ZINC000408950168 570083980 /nfs/dbraw/zinc/08/39/80/570083980.db2.gz DSQAGGMWUJCPCX-YMTQWUKOSA-N 0 0 466.566 5.685 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)S2)cc1 ZINC000408951060 570084080 /nfs/dbraw/zinc/08/40/80/570084080.db2.gz HQYQCHHQFATAOO-ZXOFLVKFSA-N 0 0 460.983 5.816 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O[C@H](C)CC)c(OC)c3)S2)cc1 ZINC000408951059 570084091 /nfs/dbraw/zinc/08/40/91/570084091.db2.gz HQYQCHHQFATAOO-GNUZOCDUSA-N 0 0 460.983 5.816 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)c(Br)o3)S2)cc1 ZINC000408951005 570084158 /nfs/dbraw/zinc/08/41/58/570084158.db2.gz HFZCVBBHONULHA-MDWZMJQESA-N 0 0 472.158 5.095 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 ZINC000408952819 570084374 /nfs/dbraw/zinc/08/43/74/570084374.db2.gz NAULYXMVXQRWCJ-MFKUBSTISA-N 0 0 471.557 6.119 40 30 JKEBRN Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1I ZINC000408954678 570084691 /nfs/dbraw/zinc/08/46/91/570084691.db2.gz UNGMHLRGXCTGMY-RGVLZGJSSA-N 0 0 467.104 6.141 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccc(F)cc1 ZINC000408953186 570084449 /nfs/dbraw/zinc/08/44/49/570084449.db2.gz OSNUWKVRUFQQPP-TUQWILOLSA-N 0 0 474.149 5.568 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)S2)cc1 ZINC000408953086 570084462 /nfs/dbraw/zinc/08/44/62/570084462.db2.gz OIHUHNCRPQXBRP-WPWMEQJKSA-N 0 0 498.579 6.848 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)S2)cc1 ZINC000408953435 570084481 /nfs/dbraw/zinc/08/44/81/570084481.db2.gz PNJRSZLDATVWRB-OEAKJJBVSA-N 0 0 499.419 6.863 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2C)cc1 ZINC000408953355 570084482 /nfs/dbraw/zinc/08/44/82/570084482.db2.gz OVKSUADCCGZBIC-FMVWKBIMSA-N 0 0 486.185 5.437 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)S2)cc1 ZINC000408953918 570084574 /nfs/dbraw/zinc/08/45/74/570084574.db2.gz QPYAESRCXYGGNF-MFKUBSTISA-N 0 0 488.012 6.633 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)S2)cc1 ZINC000408954384 570084601 /nfs/dbraw/zinc/08/46/01/570084601.db2.gz SSUXYKIENWTXOR-BUVRLJJBSA-N 0 0 489.597 5.479 40 30 JKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)cc1 ZINC000408953486 570084611 /nfs/dbraw/zinc/08/46/11/570084611.db2.gz PYCJXHTYMANJNO-JYRVWZFOSA-N 0 0 456.159 5.259 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)S2)cc1 ZINC000408954202 570084618 /nfs/dbraw/zinc/08/46/18/570084618.db2.gz RVOWYZJBZZEZOM-OEAKJJBVSA-N 0 0 466.006 6.346 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O[C@H](C)CC)c(OCC)c3)S2)cc1 ZINC000408955050 570084726 /nfs/dbraw/zinc/08/47/26/570084726.db2.gz VOGZDFNNXNDQIU-HFITWMCCSA-N 0 0 475.010 6.206 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)S2)cc1 ZINC000408955478 570084871 /nfs/dbraw/zinc/08/48/71/570084871.db2.gz XJTONNBTCBBUOO-WGOQTCKBSA-N 0 0 467.594 6.288 40 30 JKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000408956026 570084950 /nfs/dbraw/zinc/08/49/50/570084950.db2.gz ZOWXMCSNNVICCW-LFVJCYFKSA-N 0 0 487.581 5.303 40 30 JKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1)c1ccccc1F ZINC000408958353 570085180 /nfs/dbraw/zinc/08/51/80/570085180.db2.gz YAQSRJYCZMUBJS-KKMKTNMSSA-N 0 0 486.355 6.921 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408959581 570085292 /nfs/dbraw/zinc/08/52/92/570085292.db2.gz BIYGWYDINVRLDB-DMEHKQLVSA-N 0 0 450.995 5.821 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408959789 570085352 /nfs/dbraw/zinc/08/53/52/570085352.db2.gz FYTJRSQEJYGHDR-YOWFULMBSA-N 0 0 478.621 6.348 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)c1C ZINC000408959886 570085370 /nfs/dbraw/zinc/08/53/70/570085370.db2.gz HLBDXIJBWGGYDK-FXALAWDZSA-N 0 0 471.670 7.124 40 30 JKEBRN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 ZINC000408959934 570085373 /nfs/dbraw/zinc/08/53/73/570085373.db2.gz ASXXAKIHUBDYOS-WOJGMQOQSA-N 0 0 473.337 5.932 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccccc1Br ZINC000408959915 570085388 /nfs/dbraw/zinc/08/53/88/570085388.db2.gz AILBBWSUJZVUFX-FYJGNVAPSA-N 0 0 466.404 6.057 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(CC)C2=O)c1C ZINC000408959702 570085397 /nfs/dbraw/zinc/08/53/97/570085397.db2.gz DMBUDDCOIRFQSX-YHEUAIPESA-N 0 0 486.685 6.655 40 30 JKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1C ZINC000408960059 570085489 /nfs/dbraw/zinc/08/54/89/570085489.db2.gz IUNYKOBFFGLTMG-XKZIYDEJSA-N 0 0 450.007 6.510 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)S2)cc1 ZINC000408960328 570085628 /nfs/dbraw/zinc/08/56/28/570085628.db2.gz DXNHBFWRBPXTSM-LPYMAVHISA-N 0 0 499.419 6.781 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408960993 570085844 /nfs/dbraw/zinc/08/58/44/570085844.db2.gz KULUHULNUNHVIO-CVKSISIWSA-N 0 0 462.578 6.070 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)S2)cc1 ZINC000408961266 570085992 /nfs/dbraw/zinc/08/59/92/570085992.db2.gz LZMMACSUWGRAKN-OGLMXYFKSA-N 0 0 473.601 7.043 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)S2)cc1 ZINC000408961157 570086041 /nfs/dbraw/zinc/08/60/41/570086041.db2.gz AWCCRVYYVRTGFB-WGOQTCKBSA-N 0 0 495.560 6.527 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)S2)cc1 ZINC000408962441 570086444 /nfs/dbraw/zinc/08/64/44/570086444.db2.gz SCRXRBHJPVMUBO-CIAFOILYSA-N 0 0 482.403 5.757 40 30 JKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408962751 570086536 /nfs/dbraw/zinc/08/65/36/570086536.db2.gz UKOHTHMMJBTYCD-RQZCQDPDSA-N 0 0 494.743 6.707 40 30 JKEBRN CCOC(=O)Cn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408962647 570086560 /nfs/dbraw/zinc/08/65/60/570086560.db2.gz IWDYHFICWUHXRC-VCHYOVAHSA-N 0 0 474.369 5.403 40 30 JKEBRN COc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408963089 570086590 /nfs/dbraw/zinc/08/65/90/570086590.db2.gz MKZDYBQLWSXJNP-RIYZIHGNSA-N 0 0 458.164 5.656 40 30 JKEBRN CCOc1cc(OCC)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408963122 570086591 /nfs/dbraw/zinc/08/65/91/570086591.db2.gz MTKRJVJKWIVWOT-YBFXNURJSA-N 0 0 461.381 5.447 40 30 JKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)c1 ZINC000408963127 570086615 /nfs/dbraw/zinc/08/66/15/570086615.db2.gz ADEYODJDQCMTLL-OEAKJJBVSA-N 0 0 459.571 5.389 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4cccc5ccccc54)c4ccccc34)S2)cc1 ZINC000408963235 570086619 /nfs/dbraw/zinc/08/66/19/570086619.db2.gz BAUXUQGALUOMCI-OGLMXYFKSA-N 0 0 473.601 7.043 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408963002 570086641 /nfs/dbraw/zinc/08/66/41/570086641.db2.gz XETHRXWEXFJWSE-LPYMAVHISA-N 0 0 480.431 6.365 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)S2)cc1 ZINC000408962999 570086643 /nfs/dbraw/zinc/08/66/43/570086643.db2.gz XBFOBAFDSWPOHN-WPWMEQJKSA-N 0 0 496.588 6.328 40 30 JKEBRN O=C(Cn1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21)N1CCOCC1 ZINC000408963554 570086718 /nfs/dbraw/zinc/08/67/18/570086718.db2.gz ZXWMHJYBUCPYAJ-BIZUNTBRSA-N 0 0 481.640 5.719 40 30 JKEBRN Cc1c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408963412 570086720 /nfs/dbraw/zinc/08/67/20/570086720.db2.gz BNNJMCIRAJRHAV-MFKUBSTISA-N 0 0 482.565 6.106 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408963445 570086765 /nfs/dbraw/zinc/08/67/65/570086765.db2.gz BRDFRPKZOXEMCD-HWQJWEFDSA-N 0 0 499.847 7.114 40 30 JKEBRN Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408963794 570086893 /nfs/dbraw/zinc/08/68/93/570086893.db2.gz ABFXNNMPHNSPJS-WGARJPEWSA-N 0 0 465.338 6.306 40 30 JKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408964079 570086899 /nfs/dbraw/zinc/08/68/99/570086899.db2.gz FRBUXWGXRAOHMH-YDZHTSKRSA-N 0 0 461.949 6.374 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408964418 570086970 /nfs/dbraw/zinc/08/69/70/570086970.db2.gz GUHCXTKFLLHLGL-CPNJWEJPSA-N 0 0 489.391 5.313 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408964382 570087016 /nfs/dbraw/zinc/08/70/16/570087016.db2.gz GPHPWNWXOXJPQW-ZVHZXABRSA-N 0 0 468.538 5.798 40 30 JKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408964529 570087018 /nfs/dbraw/zinc/08/70/18/570087018.db2.gz HOTBHWGIEKEIPU-ZVHZXABRSA-N 0 0 484.537 5.498 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)S2)cc1 ZINC000408964966 570087074 /nfs/dbraw/zinc/08/70/74/570087074.db2.gz JFLYRENUJXJBCP-OEAKJJBVSA-N 0 0 492.000 5.866 40 30 JKEBRN Cc1ccc2[nH]c(Sc3ccc(C=C4SC(=Nc5ccc(F)cc5)NC4=O)o3)nc2c1 ZINC000408964943 570087098 /nfs/dbraw/zinc/08/70/98/570087098.db2.gz ITODUXNHXMNVRR-WOJGMQOQSA-N 0 0 450.520 5.646 40 30 JKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(O)c(I)c3)cc2)cc1 ZINC000408964796 570087131 /nfs/dbraw/zinc/08/71/31/570087131.db2.gz SGXLDJPATYNSHH-CIAFOILYSA-N 0 0 476.295 5.807 40 30 JKEBRN COc1cc(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1OC ZINC000408964858 570087150 /nfs/dbraw/zinc/08/71/50/570087150.db2.gz STSLFQIUHNNUNI-VGOFMYFVSA-N 0 0 488.190 5.665 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408965336 570087235 /nfs/dbraw/zinc/08/72/35/570087235.db2.gz KHSZDMHFUBXHPC-KEBDBYFISA-N 0 0 490.843 7.254 40 30 JKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 ZINC000408965228 570087254 /nfs/dbraw/zinc/08/72/54/570087254.db2.gz UVCBICAWRGMXGB-WGOQTCKBSA-N 0 0 468.553 6.758 40 30 JKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)c1C ZINC000408965131 570087263 /nfs/dbraw/zinc/08/72/63/570087263.db2.gz GJJUTCQBBZEMGY-NMDMTFQHSA-N 0 0 485.653 6.440 40 30 JKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 ZINC000408965948 570087340 /nfs/dbraw/zinc/08/73/40/570087340.db2.gz XWOVTTLFJFAWDI-KOEQRZSOSA-N 0 0 459.615 6.337 40 30 JKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)S2)cc1 ZINC000408965674 570087399 /nfs/dbraw/zinc/08/73/99/570087399.db2.gz LJAAQNDFKWZWBA-WSDLNYQXSA-N 0 0 469.393 6.772 40 30 JKEBRN 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570089131 /nfs/dbraw/zinc/08/91/31/570089131.db2.gz YSFUNIAEGMLZKL-JFLMPSFJSA-N 0 0 457.426 7.717 40 30 JKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1c3ccccc3cc3ccccc31)CCCCCC2 ZINC000408973087 570089150 /nfs/dbraw/zinc/08/91/50/570089150.db2.gz YNUMVZXQWPISNO-QNKGDIEWSA-N 0 0 488.656 8.716 40 30 JKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)ccc1OCc1ccccc1 ZINC000408974495 570089313 /nfs/dbraw/zinc/08/93/13/570089313.db2.gz AOSYPOXRCJUKLJ-WJOKGBTCSA-N 0 0 494.034 8.382 40 30 JKEBRN C=CCN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 ZINC000408973920 570089363 /nfs/dbraw/zinc/08/93/63/570089363.db2.gz CQQJRMBPGXYVGG-UHFFFAOYSA-N 0 0 472.577 6.269 40 30 JKEBRN Clc1ccccc1COc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408974685 570089443 /nfs/dbraw/zinc/08/94/43/570089443.db2.gz GSDDBQCFBDXPGZ-FJEPWZHXSA-N 0 0 495.922 7.726 40 30 JKEBRN COc1ccccc1/C=N/c1ncnc2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c21 ZINC000408974645 570089455 /nfs/dbraw/zinc/08/94/55/570089455.db2.gz 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Clc1ccc(COc2ccc(CN=Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc2)cc1 ZINC000408977143 570090164 /nfs/dbraw/zinc/09/01/64/570090164.db2.gz UOWUVYHUOCSGKF-JFLMPSFJSA-N 0 0 475.957 7.342 40 30 JKEBRN C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1ccc(OCc2ccccc2)cc1 ZINC000408978094 570090309 /nfs/dbraw/zinc/09/03/09/570090309.db2.gz KOVGYAAVOIFKPJ-NDZAJKAJSA-N 0 0 452.623 8.187 40 30 JKEBRN COc1ccccc1C(C)N=Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408978042 570090378 /nfs/dbraw/zinc/09/03/78/570090378.db2.gz XVWBCGWGALZLAO-MTDXEUNCSA-N 0 0 472.570 6.847 40 30 JKEBRN O=C1/C(=C\c2ccc(Br)s2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000408978601 570090389 /nfs/dbraw/zinc/09/03/89/570090389.db2.gz AASXJGFQUCRDAE-BBWXTVSKSA-N 0 0 469.429 6.183 40 30 JKEBRN C=CCOc1c(Br)cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1Br ZINC000408978456 570090410 /nfs/dbraw/zinc/09/04/10/570090410.db2.gz IKYGIPQNVVVSRO-UHFFFAOYSA-N 0 0 499.206 6.268 40 30 JKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 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/nfs/dbraw/zinc/10/04/43/570100443.db2.gz XZKODYJGBRLCAU-QFPLBRLRSA-N 0 0 472.572 6.183 40 30 JKEBRN CC[C@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000409014498 570100568 /nfs/dbraw/zinc/10/05/68/570100568.db2.gz PTYCFPZUXKXTOX-XPPZXEJOSA-N 0 0 463.002 7.326 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014330 570100594 /nfs/dbraw/zinc/10/05/94/570100594.db2.gz XHPIWHGKMXKREL-OEAKJJBVSA-N 0 0 489.000 5.183 40 30 JKEBRN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253498752 570100735 /nfs/dbraw/zinc/10/07/35/570100735.db2.gz PNDHMMQVMNVWPV-YHNZLWFKSA-N 0 0 484.765 7.568 40 30 biogenic JKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498733 570100761 /nfs/dbraw/zinc/10/07/61/570100761.db2.gz ODSSDTBFHAYYMD-OWYQFHOHSA-N 0 0 468.766 8.596 40 30 biogenic JKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1C ZINC000409014544 570100755 /nfs/dbraw/zinc/10/07/55/570100755.db2.gz MVIJQVUYVQLGNZ-STBIYBPSSA-N 0 0 460.643 7.344 40 30 JKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)c(OCC)c1 ZINC000409014991 570100844 /nfs/dbraw/zinc/10/08/44/570100844.db2.gz QVGQUCZRTDCADO-XUYYCWMVSA-N 0 0 495.826 6.134 40 30 JKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1Cl ZINC000409015361 570100962 /nfs/dbraw/zinc/10/09/62/570100962.db2.gz RSBXGYLPEJZITO-OTWJJXBCSA-N 0 0 465.800 6.171 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409015579 570101028 /nfs/dbraw/zinc/10/10/28/570101028.db2.gz ROOIKWYKJJFGAW-SITPEIFSSA-N 0 0 482.558 5.746 40 30 JKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)c(OC)c1 ZINC000409015638 570101031 /nfs/dbraw/zinc/10/10/31/570101031.db2.gz SURGFTHEYDKMEA-JPFRIMFNSA-N 0 0 467.772 5.354 40 30 JKEBRN CCOc1ccc(N=C2S/C(=C\c3cccn3-c3cccc(Br)c3)C(=O)N2CC)cc1 ZINC000409016274 570101150 /nfs/dbraw/zinc/10/11/50/570101150.db2.gz QRCYXZJDKNHCNB-DMEHKQLVSA-N 0 0 496.430 6.262 40 30 JKEBRN CN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409016580 570101299 /nfs/dbraw/zinc/10/12/99/570101299.db2.gz DSCBODFNCJCACH-RJWIDHBWSA-N 0 0 486.174 5.718 40 30 JKEBRN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c1 ZINC000409016650 570101354 /nfs/dbraw/zinc/10/13/54/570101354.db2.gz RADMATCYPTXCLB-STBIYBPSSA-N 0 0 476.642 7.044 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409017298 570101662 /nfs/dbraw/zinc/10/16/62/570101662.db2.gz FQLZEZJQETYFTF-MMTNMYCKSA-N 0 0 495.597 5.299 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000409018580 570102116 /nfs/dbraw/zinc/10/21/16/570102116.db2.gz XGDMMAQXIWVSEW-HAFIMRKLSA-N 0 0 469.578 6.367 40 30 JKEBRN Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc2n1C ZINC000409019013 570102420 /nfs/dbraw/zinc/10/24/20/570102420.db2.gz VFILTIIAKUZOEQ-RDRPBHBLSA-N 0 0 455.627 7.210 40 30 JKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501218 570102461 /nfs/dbraw/zinc/10/24/61/570102461.db2.gz XUDTWJGGQFHXCR-UHVBKIBTSA-N 0 0 484.765 7.568 40 30 JKEBRN C=C(C)[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501217 570102463 /nfs/dbraw/zinc/10/24/63/570102463.db2.gz XUDTWJGGQFHXCR-PYWPFASFSA-N 0 0 484.765 7.568 40 30 JKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000409019585 570102528 /nfs/dbraw/zinc/10/25/28/570102528.db2.gz JWLRFCVLCDORMF-KCZILUFYSA-N 0 0 468.553 6.932 40 30 JKEBRN CCOCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409019554 570102534 /nfs/dbraw/zinc/10/25/34/570102534.db2.gz JTFCYXIOYCAJMT-XFFGVCMQSA-N 0 0 466.006 6.080 40 30 JKEBRN Cc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc3c(cc1C)OCO3)CCCCCC2 ZINC000409020156 570102671 /nfs/dbraw/zinc/10/26/71/570102671.db2.gz ZPBNHTZJNIICQI-RWPZCVJISA-N 0 0 460.599 6.756 40 30 JKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000409020420 570102782 /nfs/dbraw/zinc/10/27/82/570102782.db2.gz PBTAHVWHCADXJF-ZTKZIYFRSA-N 0 0 451.526 5.885 40 30 JKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1 ZINC000409020685 570102835 /nfs/dbraw/zinc/10/28/35/570102835.db2.gz SBLUTMIGTDZFHX-PMVOYJCMSA-N 0 0 463.784 5.901 40 30 JKEBRN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CCC)C(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000409022677 570103464 /nfs/dbraw/zinc/10/34/64/570103464.db2.gz PAAHXVXRVQHDSX-LGUFXXKBSA-N 0 0 499.636 5.613 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000409022889 570103467 /nfs/dbraw/zinc/10/34/67/570103467.db2.gz VLQFKIMWUMGRDK-HYARGMPZSA-N 0 0 455.551 5.977 40 30 JKEBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccc(OC)cc1 ZINC000409023566 570103734 /nfs/dbraw/zinc/10/37/34/570103734.db2.gz YXBZKGCPDXMOBS-VASVRFFCSA-N 0 0 487.071 7.185 40 30 JKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(Br)cc1 ZINC000409023815 570103796 /nfs/dbraw/zinc/10/37/96/570103796.db2.gz QUEVKYCKAADGLD-OMSSWJLUSA-N 0 0 468.376 5.569 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000409025193 570104079 /nfs/dbraw/zinc/10/40/79/570104079.db2.gz RJXRTMFMQFJIDX-VULFUBBASA-N 0 0 488.525 5.701 40 30 JKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000409026232 570104462 /nfs/dbraw/zinc/10/44/62/570104462.db2.gz JMCCCPIQERVNLE-VULFUBBASA-N 0 0 463.946 6.137 40 30 JKEBRN COc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000409026190 570104490 /nfs/dbraw/zinc/10/44/90/570104490.db2.gz IKMIRKNJEDOERY-NJZRLIGZSA-N 0 0 473.532 6.518 40 30 JKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C#CC(C)(C)C)=CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609077 570104510 /nfs/dbraw/zinc/10/45/10/570104510.db2.gz VMWUKKYHGOSZRT-NESKHNOVSA-N 0 0 450.795 9.694 40 30 JKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C#CC(C)(C)C)=CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609078 570104521 /nfs/dbraw/zinc/10/45/21/570104521.db2.gz VMWUKKYHGOSZRT-PSAUPAGBSA-N 0 0 450.795 9.694 40 30 JKEBRN CCOc1cc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(=O)c1ccccc1 ZINC000409026477 570104566 /nfs/dbraw/zinc/10/45/66/570104566.db2.gz QIJOLLOROBXJMV-CVKSISIWSA-N 0 0 488.525 5.782 40 30 JKEBRN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccccc3)C5=O)cc2c1 ZINC000253623625 570105235 /nfs/dbraw/zinc/10/52/35/570105235.db2.gz BUSIDYMRPVHSKI-XLHYMUBZSA-N 0 0 465.461 5.006 40 30 JKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC ZINC000409029359 570105542 /nfs/dbraw/zinc/10/55/42/570105542.db2.gz AATUSRCOLZECOL-ZHZULCJRSA-N 0 0 459.951 5.337 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OCC)c1OC ZINC000409030082 570105625 /nfs/dbraw/zinc/10/56/25/570105625.db2.gz CEAPZZNOEKIKFG-NTEUORMPSA-N 0 0 466.406 5.324 40 30 JKEBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=Nc2ccccc2)cc1 ZINC000254413848 570105657 /nfs/dbraw/zinc/10/56/57/570105657.db2.gz BUVGMLDMHCHVSM-NMSBTPMHSA-N 0 0 485.609 5.336 40 30 JKEBRN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)N(C)C2=S)cc1 ZINC000409030349 570105707 /nfs/dbraw/zinc/10/57/07/570105707.db2.gz FQWFAWJWDGDDJD-JLPGSUDCSA-N 0 0 469.566 5.140 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000409030248 570105763 /nfs/dbraw/zinc/10/57/63/570105763.db2.gz DYFIMMIRSOJGBR-GYRAYZOKSA-N 0 0 470.257 5.009 40 30 JKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409031928 570105896 /nfs/dbraw/zinc/10/58/96/570105896.db2.gz BPFPRLBVIMUBFU-TWUOJQIPSA-N 0 0 479.827 6.674 40 30 JKEBRN C=CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br ZINC000409032206 570105931 /nfs/dbraw/zinc/10/59/31/570105931.db2.gz LOSHUQXPGRVUAL-YRNVUSSQSA-N 0 0 487.222 5.516 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1 ZINC000409031891 570105957 /nfs/dbraw/zinc/10/59/57/570105957.db2.gz BWSRWTURGNDYBH-CPNJWEJPSA-N 0 0 498.451 6.496 40 30 JKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc21 ZINC000409032459 570106061 /nfs/dbraw/zinc/10/60/61/570106061.db2.gz JOJXNJQHWHFPEZ-GXDHUFHOSA-N 0 0 457.402 5.393 40 30 JKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000254770906 570106147 /nfs/dbraw/zinc/10/61/47/570106147.db2.gz IGLARKWQZKOTRS-SBEYKLCGSA-N 0 0 468.582 5.941 40 30 JKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Br)cc(C)c4O)cc3)nc2c1 ZINC000254741922 570106208 /nfs/dbraw/zinc/10/62/08/570106208.db2.gz QSKGIYXYULYGAZ-OAHLLOKOSA-N 0 0 463.375 7.535 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(F)cc1 ZINC000409033897 570106289 /nfs/dbraw/zinc/10/62/89/570106289.db2.gz GAAVUYHZCZIWGW-KYMQWJLESA-N 0 0 452.345 5.847 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccc4)o3)sc2C1 ZINC000255935881 570106374 /nfs/dbraw/zinc/10/63/74/570106374.db2.gz BCIRKWKMBBRVDF-INIZCTEOSA-N 0 0 466.632 5.942 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)o2)cc1Cl ZINC000409035135 570106447 /nfs/dbraw/zinc/10/64/47/570106447.db2.gz IVUWHMDCDIPWIE-OQXJXCHTSA-N 0 0 492.962 6.135 40 30 JKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OCC)c1O ZINC000409035187 570106474 /nfs/dbraw/zinc/10/64/74/570106474.db2.gz OXFQQCKPSVSAEX-MDWZMJQESA-N 0 0 452.379 5.021 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccc4)o3)sc2C1 ZINC000255935882 570106538 /nfs/dbraw/zinc/10/65/38/570106538.db2.gz BCIRKWKMBBRVDF-MRXNPFEDSA-N 0 0 466.632 5.942 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1C#N ZINC000409036147 570106596 /nfs/dbraw/zinc/10/65/96/570106596.db2.gz LAFTXKICZWHFEF-UUYOSTAYSA-N 0 0 452.601 5.393 40 30 JKEBRN COC(=O)Nc1c([N+](=O)[O-])cc(SC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000256027855 570106667 /nfs/dbraw/zinc/10/66/67/570106667.db2.gz GMQKYIWGXNJUAD-UHFFFAOYSA-N 0 0 491.244 5.199 40 30 JKEBRN Cc1c(Br)cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1Br ZINC000409036877 570106712 /nfs/dbraw/zinc/10/67/12/570106712.db2.gz BXTUZACADVTNDI-IPBDZQFASA-N 0 0 459.985 5.234 40 30 JKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl ZINC000409037359 570106805 /nfs/dbraw/zinc/10/68/05/570106805.db2.gz NCTKNYOAEYDFAY-UYRXBGFRSA-N 0 0 462.354 5.429 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409037484 570106885 /nfs/dbraw/zinc/10/68/85/570106885.db2.gz NSYFWFPJRWWXSG-WMDMUMDLSA-N 0 0 473.186 5.742 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409037641 570106870 /nfs/dbraw/zinc/10/68/70/570106870.db2.gz UDDNDNOXDIINOQ-HCNMGLPWSA-N 0 0 496.398 6.246 40 30 JKEBRN N#Cc1ccccc1CSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409037699 570106900 /nfs/dbraw/zinc/10/69/00/570106900.db2.gz YKLJDOWNYSKTOJ-HCNMGLPWSA-N 0 0 485.428 6.718 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409037908 570106909 /nfs/dbraw/zinc/10/69/09/570106909.db2.gz ODXDOJMXMDNSOV-IJFXDBOGSA-N 0 0 493.257 6.120 40 30 JKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C)cc1 ZINC000409038279 570106988 /nfs/dbraw/zinc/10/69/88/570106988.db2.gz FCQHXZAERSFGRL-FXMZOFOKSA-N 0 0 452.370 5.687 40 30 JKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409038250 570106992 /nfs/dbraw/zinc/10/69/92/570106992.db2.gz OWNYAPZQSVLRBR-BIZUNTBRSA-N 0 0 466.028 7.644 40 30 JKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409038119 570107004 /nfs/dbraw/zinc/10/70/04/570107004.db2.gz ZNXYWDSSMCLTPV-FLUNURKVSA-N 0 0 463.180 6.286 40 30 JKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000409039085 570107085 /nfs/dbraw/zinc/10/70/85/570107085.db2.gz QJYIUZYARDFDGW-ZDLGFXPLSA-N 0 0 483.396 5.639 40 30 JKEBRN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409039389 570107138 /nfs/dbraw/zinc/10/71/38/570107138.db2.gz QUXJVXMYRGMBPP-UHFFFAOYSA-N 0 0 466.578 5.699 40 30 JKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc21 ZINC000409040373 570107307 /nfs/dbraw/zinc/10/73/07/570107307.db2.gz YMQHEVUSBOIPBI-GXDHUFHOSA-N 0 0 459.418 5.946 40 30 JKEBRN Cc1c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc2n1Cc1ccc(Cl)cc1 ZINC000409041570 570107627 /nfs/dbraw/zinc/10/76/27/570107627.db2.gz WHZMSANSOZUVDZ-NNOOIMGWSA-N 0 0 477.864 7.101 40 30 JKEBRN COc1c(Br)cc(Br)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409041193 570107628 /nfs/dbraw/zinc/10/76/28/570107628.db2.gz JBFOHGNMBMEKKR-UHFFFAOYSA-N 0 0 495.211 5.263 40 30 JKEBRN Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409041808 570107644 /nfs/dbraw/zinc/10/76/44/570107644.db2.gz VRYXCYHFACKXDV-IOXBOXJCSA-N 0 0 450.185 6.115 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O ZINC000409041647 570107661 /nfs/dbraw/zinc/10/76/61/570107661.db2.gz KIHDRJGSNQWHHU-VULFUBBASA-N 0 0 470.638 6.231 40 30 JKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccccc1Cl ZINC000409042115 570107774 /nfs/dbraw/zinc/10/77/74/570107774.db2.gz BKEMKPZQZABCGC-OXUBWTJQSA-N 0 0 458.761 5.642 40 30 JKEBRN Fc1ccccc1COc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409042209 570107783 /nfs/dbraw/zinc/10/77/83/570107783.db2.gz BVLDCCATSFFHIS-WBSLIQCRSA-N 0 0 481.170 6.425 40 30 JKEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccccc1)C1c3ccccc3C2c2ccccc21 ZINC000409041950 570107792 /nfs/dbraw/zinc/10/77/92/570107792.db2.gz LKRVQTSSNTWCKU-ZRCJFXJKSA-N 0 0 484.555 5.492 40 30 JKEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000409042398 570107841 /nfs/dbraw/zinc/10/78/41/570107841.db2.gz KPAJUINQAMUQOM-WXMAUWIXSA-N 0 0 497.798 5.903 40 30 JKEBRN O=C1CCCC2=C1C(c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000409045778 570108714 /nfs/dbraw/zinc/10/87/14/570108714.db2.gz HNCGBTKJEYQMLS-UHFFFAOYSA-N 0 0 486.370 6.413 40 30 JKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409046371 570108833 /nfs/dbraw/zinc/10/88/33/570108833.db2.gz KHLMXJXELVILKQ-LICLKQGHSA-N 0 0 452.746 5.895 40 30 JKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409046746 570108956 /nfs/dbraw/zinc/10/89/56/570108956.db2.gz LOYRDMFCMJPSMX-KIBLKLHPSA-N 0 0 470.139 7.538 40 30 JKEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409048658 570109355 /nfs/dbraw/zinc/10/93/55/570109355.db2.gz UDXVFFUPZLPVAF-DHRITJCHSA-N 0 0 453.882 5.333 40 30 JKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc2ccccc21 ZINC000409050431 570109801 /nfs/dbraw/zinc/10/98/01/570109801.db2.gz VOOFSZOVKYLLNY-LPEPFOFCSA-N 0 0 484.415 6.861 40 30 JKEBRN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409052036 570110210 /nfs/dbraw/zinc/11/02/10/570110210.db2.gz GAUDFSCIHGMUIY-PDGQHHTCSA-N 0 0 492.778 5.754 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C1=O ZINC000409051857 570110231 /nfs/dbraw/zinc/11/02/31/570110231.db2.gz GYOFMDRNBYUYDY-ULJHMMPZSA-N 0 0 499.588 5.436 40 30 JKEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C1c3ccccc3C2c2ccccc21 ZINC000409052897 570110558 /nfs/dbraw/zinc/11/05/58/570110558.db2.gz BGOBZFHGSDNFNE-PYAUOHCOSA-N 0 0 489.487 5.081 40 30 JKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000409053038 570110635 /nfs/dbraw/zinc/11/06/35/570110635.db2.gz WNHIPMWWHQYWRM-LQKURTRISA-N 0 0 468.409 7.532 40 30 JKEBRN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409053103 570110639 /nfs/dbraw/zinc/11/06/39/570110639.db2.gz KOECHHJHILHNKR-STZFKDTASA-N 0 0 493.968 5.770 40 30 JKEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000409053307 570110688 /nfs/dbraw/zinc/11/06/88/570110688.db2.gz OEVSGLAVBODXAU-JVWAILMASA-N 0 0 478.961 6.787 40 30 JKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000409054056 570111057 /nfs/dbraw/zinc/11/10/57/570111057.db2.gz MAYQZLDMVHTUGR-SBUWOATQSA-N 0 0 499.724 7.811 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 ZINC000409055939 570111708 /nfs/dbraw/zinc/11/17/08/570111708.db2.gz KFGIJXLQBSMPRD-UHFFFAOYSA-N 0 0 496.434 6.924 40 30 JKEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409056152 570111835 /nfs/dbraw/zinc/11/18/35/570111835.db2.gz FJNOFNDBAHIYIU-LGJNPRDNSA-N 0 0 468.941 5.496 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409056954 570112165 /nfs/dbraw/zinc/11/21/65/570112165.db2.gz FOBKDWMJLJTQKK-BOPFTXTBSA-N 0 0 480.767 5.917 40 30 JKEBRN CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)C1=O ZINC000409058312 570112837 /nfs/dbraw/zinc/11/28/37/570112837.db2.gz NQTWIHHHKQGMRF-NDENLUEZSA-N 0 0 471.376 5.736 40 30 JKEBRN C=CCOc1c(Br)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1Br ZINC000409059410 570113266 /nfs/dbraw/zinc/11/32/66/570113266.db2.gz MZHROJIKICDPIX-SRZZPIQSSA-N 0 0 494.212 5.206 40 30 JKEBRN Cc1ccc(COc2c(Cl)cc(C=NN3C(=S)N=NC3c3ccccc3)cc2Cl)cc1 ZINC000409059406 570113288 /nfs/dbraw/zinc/11/32/88/570113288.db2.gz MZGRADURYOTPAN-LGJNPRDNSA-N 0 0 469.397 6.310 40 30 JKEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409059513 570113385 /nfs/dbraw/zinc/11/33/85/570113385.db2.gz QEMAIUPFYGEGFG-AFUMVMLFSA-N 0 0 495.402 5.466 40 30 JKEBRN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409061587 570114559 /nfs/dbraw/zinc/11/45/59/570114559.db2.gz GBEPHQXCUBADRA-DHRITJCHSA-N 0 0 499.821 6.111 40 30 JKEBRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409061784 570114569 /nfs/dbraw/zinc/11/45/69/570114569.db2.gz HZFDJKZRKYLRRD-QRVIBDJDSA-N 0 0 476.941 6.040 40 30 JKEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccc2ccccc2c1 ZINC000409061840 570114721 /nfs/dbraw/zinc/11/47/21/570114721.db2.gz IWWWDTYNIMTLRW-OGLMXYFKSA-N 0 0 466.566 5.857 40 30 JKEBRN CCOC(=O)c1c2c(sc1/N=C/c1ccc(OCC(=O)Nc3ccccc3C)cc1)CCCC2 ZINC000409062866 570115219 /nfs/dbraw/zinc/11/52/19/570115219.db2.gz CBWINHBQUKSCNE-LQKURTRISA-N 0 0 476.598 5.880 40 30 JKEBRN CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2)c(OCc2ccc(I)cc2)c1 ZINC000409062951 570115328 /nfs/dbraw/zinc/11/53/28/570115328.db2.gz DKYNXFKYGBFLFI-YZSQISJMSA-N 0 0 499.396 6.162 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)C1=O ZINC000409063423 570115437 /nfs/dbraw/zinc/11/54/37/570115437.db2.gz BOBHMVVMFOCUCV-XDHOZWIPSA-N 0 0 491.350 5.401 40 30 JKEBRN C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OC)c1OCc1ccccc1F ZINC000409064499 570115791 /nfs/dbraw/zinc/11/57/91/570115791.db2.gz DPRDFJYFMKHKCG-UHFFFAOYSA-N 0 0 487.571 5.843 40 30 JKEBRN Clc1ccccc1COc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000409064674 570115921 /nfs/dbraw/zinc/11/59/21/570115921.db2.gz DKRLVGOBYVGAGZ-LGJNPRDNSA-N 0 0 498.833 7.251 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C1=O ZINC000409064747 570115923 /nfs/dbraw/zinc/11/59/23/570115923.db2.gz FBYZHWLEXGIGCM-VCHYOVAHSA-N 0 0 499.213 6.557 40 30 JKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC ZINC000409064670 570115969 /nfs/dbraw/zinc/11/59/69/570115969.db2.gz FCIRJKKGUMBNSU-UHFFFAOYSA-N 0 0 491.672 6.528 40 30 JKEBRN O=C1CCCC2=C1C(c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C1=C(CCCC1=O)O2 ZINC000409065621 570116197 /nfs/dbraw/zinc/11/61/97/570116197.db2.gz JSNXNZSZYXSMQW-UHFFFAOYSA-N 0 0 484.957 5.236 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409065442 570116209 /nfs/dbraw/zinc/11/62/09/570116209.db2.gz SGMVSEOHVVLIEE-AMVVHIIESA-N 0 0 483.421 6.931 40 30 JKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OCC)c1OCCC ZINC000409065465 570116231 /nfs/dbraw/zinc/11/62/31/570116231.db2.gz LZCMGTUIAQVQIX-UHFFFAOYSA-N 0 0 463.618 6.036 40 30 JKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000409065592 570116241 /nfs/dbraw/zinc/11/62/41/570116241.db2.gz JLIYIWCMXAZBDH-UHFFFAOYSA-N 0 0 477.645 6.225 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409065943 570116399 /nfs/dbraw/zinc/11/63/99/570116399.db2.gz ODEHHIWEYXKQNN-MZJWZYIUSA-N 0 0 471.340 6.968 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000409066358 570116497 /nfs/dbraw/zinc/11/64/97/570116497.db2.gz AILHIGYOFMAVSI-FYJGNVAPSA-N 0 0 470.377 6.948 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409066711 570116651 /nfs/dbraw/zinc/11/66/51/570116651.db2.gz BHTXSQOIFHNMBT-VCHYOVAHSA-N 0 0 499.213 6.557 40 30 JKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1 ZINC000409066922 570116775 /nfs/dbraw/zinc/11/67/75/570116775.db2.gz DLRJNKYILQNFKH-KKMKTNMSSA-N 0 0 474.439 5.562 40 30 JKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Br)cc1 ZINC000409067528 570117061 /nfs/dbraw/zinc/11/70/61/570117061.db2.gz REGZTFJCQODRNS-KVSWJAHQSA-N 0 0 494.311 6.287 40 30 JKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409067621 570117063 /nfs/dbraw/zinc/11/70/63/570117063.db2.gz GKKKSUFZFVGTEE-YZSQISJMSA-N 0 0 480.542 5.549 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O ZINC000409067852 570117153 /nfs/dbraw/zinc/11/71/53/570117153.db2.gz RKMXYFBCBXMAMY-GZTJUZNOSA-N 0 0 464.768 5.904 40 30 JKEBRN CCOC(=O)c1c2c(sc1/N=C/c1ccc(OCC(=O)Nc3ccccc3OC)cc1)CCCC2 ZINC000409067881 570117184 /nfs/dbraw/zinc/11/71/84/570117184.db2.gz ZZNUSBWIFKUHKL-LQKURTRISA-N 0 0 492.597 5.580 40 30 JKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O ZINC000409068859 570117421 /nfs/dbraw/zinc/11/74/21/570117421.db2.gz JNCVDUNDEHEBPC-RQZCQDPDSA-N 0 0 489.207 7.102 40 30 JKEBRN Clc1ccc(COc2cccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)c2)c(Cl)c1 ZINC000409069549 570117672 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C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409077920 570120560 /nfs/dbraw/zinc/12/05/60/570120560.db2.gz BIJSQPZFZORAOO-MVTUMNDISA-N 0 0 474.626 6.185 40 30 JKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(Cl)c1OC ZINC000409077898 570120586 /nfs/dbraw/zinc/12/05/86/570120586.db2.gz BCQUNDBZYDEHTB-WKIKZPBSSA-N 0 0 472.994 5.961 40 30 JKEBRN C=CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409077854 570120589 /nfs/dbraw/zinc/12/05/89/570120589.db2.gz GFEPUOUFKZKZFV-JOBSNELWSA-N 0 0 457.437 6.849 40 30 JKEBRN O=C1CCCC2=C1C(c1cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c1)C1=C(CCCC1=O)O2 ZINC000409077751 570120593 /nfs/dbraw/zinc/12/05/93/570120593.db2.gz GAIGKGJLFPBMKH-UHFFFAOYSA-N 0 0 499.441 6.534 40 30 JKEBRN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc(OC)c1OC ZINC000409077945 570120598 /nfs/dbraw/zinc/12/05/98/570120598.db2.gz GMNBIFOBPVRMHN-ROIOHNFESA-N 0 0 460.983 5.626 40 30 JKEBRN 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JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409208114 570167987 /nfs/dbraw/zinc/16/79/87/570167987.db2.gz AZUDQXOHCCYFRT-JVWAILMASA-N 0 0 494.019 7.388 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409207877 570167989 /nfs/dbraw/zinc/16/79/89/570167989.db2.gz BVSWRJMRLZAUJW-MZJWZYIUSA-N 0 0 457.357 6.469 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)ccc1Cl ZINC000409208321 570168007 /nfs/dbraw/zinc/16/80/07/570168007.db2.gz APRJNPLMKPJCDN-MOSHPQCFSA-N 0 0 452.919 5.668 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409208247 570168045 /nfs/dbraw/zinc/16/80/45/570168045.db2.gz BJTJXOSWVBRGPJ-CCVNUDIWSA-N 0 0 471.384 6.777 40 30 JKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409208199 570168076 /nfs/dbraw/zinc/16/80/76/570168076.db2.gz AFQJOUCFRFWOCB-OCSSWDANSA-N 0 0 478.375 8.124 40 30 JKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409208420 570168159 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489.328 6.385 40 30 JKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)cc1Cl ZINC000409208641 570168330 /nfs/dbraw/zinc/16/83/30/570168330.db2.gz DDJLYPBTKVIMIS-FJEPWZHXSA-N 0 0 477.391 7.532 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409208668 570168375 /nfs/dbraw/zinc/16/83/75/570168375.db2.gz DKVLYADWFIDYPB-WRIATZMJSA-N 0 0 483.590 5.662 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409209037 570168482 /nfs/dbraw/zinc/16/84/82/570168482.db2.gz FGSHCFCCOQQSOY-WYMPLXKRSA-N 0 0 459.727 6.649 40 30 JKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409208953 570168509 /nfs/dbraw/zinc/16/85/09/570168509.db2.gz DOQLWVYIHSQBLW-UVHMKAGCSA-N 0 0 475.530 5.562 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409209045 570168610 /nfs/dbraw/zinc/16/86/10/570168610.db2.gz FIWIMUKYYVSMDJ-XKZIYDEJSA-N 0 0 461.499 5.074 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409209101 570168629 /nfs/dbraw/zinc/16/86/29/570168629.db2.gz FWGCJIZRKLFKIU-YSURURNPSA-N 0 0 480.691 7.315 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409209203 570168639 /nfs/dbraw/zinc/16/86/39/570168639.db2.gz GLRQNKFBJSETNI-WYMPLXKRSA-N 0 0 470.761 6.174 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000409209446 570168694 /nfs/dbraw/zinc/16/86/94/570168694.db2.gz FMGBZWVABJUXCD-RPPGKUMJSA-N 0 0 463.202 7.702 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1Cl ZINC000409209458 570168741 /nfs/dbraw/zinc/16/87/41/570168741.db2.gz BTJATSHLHONWKD-ZMOGYAJESA-N 0 0 477.729 6.283 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1cccc(F)c1 ZINC000409209337 570168753 /nfs/dbraw/zinc/16/87/53/570168753.db2.gz GAUGZGMUJLEHAO-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409209527 570168820 /nfs/dbraw/zinc/16/88/20/570168820.db2.gz CEVNHEIEIFRTQO-AEZDUTDLSA-N 0 0 490.585 6.625 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209562 570168892 /nfs/dbraw/zinc/16/88/92/570168892.db2.gz HAQVEIGZMXYNCG-VUTHCHCSSA-N 0 0 468.509 7.115 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 ZINC000409209539 570168909 /nfs/dbraw/zinc/16/89/09/570168909.db2.gz CGPZBMGWUOGZIT-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN CCOC(=O)c1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2c1CCCC2 ZINC000409209512 570168913 /nfs/dbraw/zinc/16/89/13/570168913.db2.gz CBUZOMBEBNATCY-DHRITJCHSA-N 0 0 451.504 5.650 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1C(C)C ZINC000409209815 570168993 /nfs/dbraw/zinc/16/89/93/570168993.db2.gz JDWOCXJRXWNUDI-YRTYMPHOSA-N 0 0 481.420 6.801 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 ZINC000409209724 570168999 /nfs/dbraw/zinc/16/89/99/570168999.db2.gz HMTZCJPIYFMQLZ-AFUMVMLFSA-N 0 0 471.338 6.246 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 ZINC000409209691 570169000 /nfs/dbraw/zinc/16/90/00/570169000.db2.gz HUZZLRJAJWXFGY-MFKUBSTISA-N 0 0 453.336 5.616 40 30 JKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 ZINC000409209816 570169003 /nfs/dbraw/zinc/16/90/03/570169003.db2.gz HKOLHDYOODDNME-LFVJCYFKSA-N 0 0 473.985 6.265 40 30 JKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000409209773 570169008 /nfs/dbraw/zinc/16/90/08/570169008.db2.gz IPYRSVWOLAYNKD-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(C)cc2)cc1 ZINC000409209853 570169040 /nfs/dbraw/zinc/16/90/40/570169040.db2.gz HWGXOMJSZBDETE-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000409210130 570169132 /nfs/dbraw/zinc/16/91/32/570169132.db2.gz IKWXEPZIDBCQFG-YZSQISJMSA-N 0 0 455.426 6.838 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409210052 570169166 /nfs/dbraw/zinc/16/91/66/570169166.db2.gz HTXAUSWXENPFFP-VFCFBJKWSA-N 0 0 473.550 6.396 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210222 570169284 /nfs/dbraw/zinc/16/92/84/570169284.db2.gz FNZCCEYOKBEGIK-ZMOGYAJESA-N 0 0 455.308 6.004 40 30 JKEBRN C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OCC)c1OCC ZINC000409210180 570169285 /nfs/dbraw/zinc/16/92/85/570169285.db2.gz IOMONSFYDDPMHO-MGMNCFQJSA-N 0 0 450.648 7.047 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Br)c1 ZINC000409210146 570169323 /nfs/dbraw/zinc/16/93/23/570169323.db2.gz IEDGYPVGTUOJQL-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000409210333 570169488 /nfs/dbraw/zinc/16/94/88/570169488.db2.gz JNVWHCOYBXKGKY-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409210663 570169571 /nfs/dbraw/zinc/16/95/71/570169571.db2.gz KOGQRVBMFVKXEO-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(-c4ccccc4C(F)(F)F)o3)sc2C1 ZINC000409210656 570169594 /nfs/dbraw/zinc/16/95/94/570169594.db2.gz LUXMDZRYLQVCBW-NEEBLTLKSA-N 0 0 456.533 7.800 40 30 JKEBRN O=S(=O)(Oc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1)c1ccc(Cl)cc1 ZINC000409210978 570169622 /nfs/dbraw/zinc/16/96/22/570169622.db2.gz MJAKLRBGLVGVTJ-IMRQLAEWSA-N 0 0 463.942 6.651 40 30 JKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211002 570169651 /nfs/dbraw/zinc/16/96/51/570169651.db2.gz LOMNPMKPZIYGKV-DHRITJCHSA-N 0 0 469.335 6.312 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1Cl ZINC000409210821 570169663 /nfs/dbraw/zinc/16/96/63/570169663.db2.gz GWCATTBSAMXICN-KKMKTNMSSA-N 0 0 461.776 7.032 40 30 JKEBRN Brc1ccc(OCc2ccccc2)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409210974 570169704 /nfs/dbraw/zinc/16/97/04/570169704.db2.gz MIAWIOSLHFEABK-MTDXEUNCSA-N 0 0 458.355 7.571 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409210851 570169714 /nfs/dbraw/zinc/16/97/14/570169714.db2.gz HBHXSZOEMBOBTP-XODNFHPESA-N 0 0 494.853 7.217 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409211194 570169785 /nfs/dbraw/zinc/16/97/85/570169785.db2.gz LCHQBDTZQFTKJP-BRJLIKDPSA-N 0 0 465.174 7.094 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)c(C)c1 ZINC000409211102 570169798 /nfs/dbraw/zinc/16/97/98/570169798.db2.gz KTXQUCAUCUEQQB-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccc(C)c(Cl)c2)c1 ZINC000409211019 570169815 /nfs/dbraw/zinc/16/98/15/570169815.db2.gz KDSBRVAHZFQJQJ-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409211083 570169833 /nfs/dbraw/zinc/16/98/33/570169833.db2.gz MPTVWXAQXOYBNK-ZMOGYAJESA-N 0 0 478.795 6.238 40 30 JKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409211502 570170008 /nfs/dbraw/zinc/17/00/08/570170008.db2.gz JODUHRLEQLKYKJ-LGJNPRDNSA-N 0 0 487.781 6.188 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1Cl ZINC000409211526 570170031 /nfs/dbraw/zinc/17/00/31/570170031.db2.gz OAVTYRLYRVQGQL-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1ccccc1 ZINC000409211573 570170035 /nfs/dbraw/zinc/17/00/35/570170035.db2.gz OHBHKQNXLOPMHI-MFKUBSTISA-N 0 0 471.338 6.328 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1C(C)C ZINC000409211563 570170037 /nfs/dbraw/zinc/17/00/37/570170037.db2.gz OBDHSYPMJXKKOQ-WKYGKRKESA-N 0 0 493.507 6.495 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N1C(C)C ZINC000409211723 570170140 /nfs/dbraw/zinc/17/01/40/570170140.db2.gz OIXRADVBFQGERK-DMAPRCRCSA-N 0 0 479.045 7.161 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409211724 570170142 /nfs/dbraw/zinc/17/01/42/570170142.db2.gz OBPUIPUHTAJJJH-CCVNUDIWSA-N 0 0 458.436 7.172 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211758 570170147 /nfs/dbraw/zinc/17/01/47/570170147.db2.gz OLPKFTFHCZOROF-AFUMVMLFSA-N 0 0 488.403 5.901 40 30 JKEBRN Brc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409211696 570170186 /nfs/dbraw/zinc/17/01/86/570170186.db2.gz OCJFBORLEGSLBQ-VEILYXNESA-N 0 0 458.355 7.571 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000409211869 570170300 /nfs/dbraw/zinc/17/03/00/570170300.db2.gz OKLSQEOKTSSTNL-BHGWPJFGSA-N 0 0 460.273 6.970 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(C)c3C#N)sc2C1 ZINC000261526597 570170354 /nfs/dbraw/zinc/17/03/54/570170354.db2.gz CREFTTIAOMYFAK-INIZCTEOSA-N 0 0 452.649 5.775 40 30 JKEBRN Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)n1 ZINC000261526728 570170358 /nfs/dbraw/zinc/17/03/58/570170358.db2.gz ICSUMUBHPPODDA-GOSISDBHSA-N 0 0 458.612 5.507 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409212054 570170392 /nfs/dbraw/zinc/17/03/92/570170392.db2.gz PMTGGRXLIVRLRL-UVHMKAGCSA-N 0 0 493.228 7.793 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 ZINC000409212152 570170399 /nfs/dbraw/zinc/17/03/99/570170399.db2.gz NJTYLGZAIOECGW-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCC4)sc2C1 ZINC000261526710 570170411 /nfs/dbraw/zinc/17/04/11/570170411.db2.gz HOVTWOGYUDLKFJ-INIZCTEOSA-N 0 0 450.633 5.257 40 30 JKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)sc2C1 ZINC000261526653 570170413 /nfs/dbraw/zinc/17/04/13/570170413.db2.gz FWODHQVZLYTOJT-SFHVURJKSA-N 0 0 478.687 6.037 40 30 JKEBRN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000261526962 570170463 /nfs/dbraw/zinc/17/04/63/570170463.db2.gz RUXSNZBCWGVBAW-QGZVFWFLSA-N 0 0 493.919 5.778 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccccc1 ZINC000409212246 570170457 /nfs/dbraw/zinc/17/04/57/570170457.db2.gz OYIPMSWYNJARHU-MFKUBSTISA-N 0 0 471.338 6.328 40 30 JKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl ZINC000409212387 570170466 /nfs/dbraw/zinc/17/04/66/570170466.db2.gz QXVLDNPPRZZDEE-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000409212429 570170470 /nfs/dbraw/zinc/17/04/70/570170470.db2.gz MERJOUHLBCPFMN-BRJLIKDPSA-N 0 0 477.171 6.989 40 30 JKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000409212307 570170486 /nfs/dbraw/zinc/17/04/86/570170486.db2.gz PSELPJGUAQFGNS-HYARGMPZSA-N 0 0 451.304 5.404 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=N\c3sc4c(c3C#N)CCN(C)C4)o2)ccc1Cl ZINC000409212324 570170492 /nfs/dbraw/zinc/17/04/92/570170492.db2.gz PWUVMAMGALDFFU-ZRGSRPPYSA-N 0 0 453.951 5.448 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 ZINC000409212299 570170525 /nfs/dbraw/zinc/17/05/25/570170525.db2.gz OPWZFBHULYYXQJ-VULFUBBASA-N 0 0 489.328 6.467 40 30 JKEBRN CCc1ccc(/N=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409212585 570170557 /nfs/dbraw/zinc/17/05/57/570170557.db2.gz QUEHYDRDGPEBGG-CVKSISIWSA-N 0 0 485.365 6.500 40 30 JKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc4ccccc4c3)c3ccccc23)c([N+](=O)[O-])c1 ZINC000409212556 570170589 /nfs/dbraw/zinc/17/05/89/570170589.db2.gz QZVUDMCSQBTRQK-DICXZTSXSA-N 0 0 465.469 6.105 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409212499 570170594 /nfs/dbraw/zinc/17/05/94/570170594.db2.gz MTFKKTLNQNYIFO-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1C(C)C ZINC000409212669 570170627 /nfs/dbraw/zinc/17/06/27/570170627.db2.gz RNLYUILVCXGSJH-HPGAWOKTSA-N 0 0 467.816 6.452 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1 ZINC000409212702 570170668 /nfs/dbraw/zinc/17/06/68/570170668.db2.gz PQMXPJQAQSTGGW-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409212816 570170697 /nfs/dbraw/zinc/17/06/97/570170697.db2.gz RENSAZVLHAAVOJ-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409212719 570170699 /nfs/dbraw/zinc/17/06/99/570170699.db2.gz PXGPRSUHMAIADJ-BZTNSOLFSA-N 0 0 469.563 5.272 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000409212944 570170795 /nfs/dbraw/zinc/17/07/95/570170795.db2.gz SLCQIFXTBOAAOC-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1cccc(F)c1 ZINC000409213000 570170818 /nfs/dbraw/zinc/17/08/18/570170818.db2.gz NUEZLPQDOILWKC-LGJNPRDNSA-N 0 0 489.328 6.385 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409213064 570170876 /nfs/dbraw/zinc/17/08/76/570170876.db2.gz OEIPLPXCKQVBRQ-ZVHZXABRSA-N 0 0 455.308 6.086 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409213103 570170892 /nfs/dbraw/zinc/17/08/92/570170892.db2.gz OLKLMOKEFSSYEG-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409213424 570170992 /nfs/dbraw/zinc/17/09/92/570170992.db2.gz UVHLTRYYRICEKO-OKCVXOCRSA-N 0 0 464.392 8.183 40 30 JKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4Cl)NC3=O)o2)ccc1Cl ZINC000409213437 570171009 /nfs/dbraw/zinc/17/10/09/570171009.db2.gz VECAKEZQQBPCPW-NDENLUEZSA-N 0 0 487.364 6.322 40 30 JKEBRN COC(=O)COc1ccc(Br)cc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409213286 570171015 /nfs/dbraw/zinc/17/10/15/570171015.db2.gz UADKPTBKYBFPHR-RNSPVEPZSA-N 0 0 489.435 5.836 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409213252 570171051 /nfs/dbraw/zinc/17/10/51/570171051.db2.gz TTYFIKZJNSYREV-LUOAPIJWSA-N 0 0 469.195 7.947 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C(C)C ZINC000409213551 570171129 /nfs/dbraw/zinc/17/11/29/570171129.db2.gz UJRPCWZUNBPJAK-KWKYFYOMSA-N 0 0 495.048 6.023 40 30 JKEBRN Cc1ccc(COc2ccc(Br)cc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000409213614 570171135 /nfs/dbraw/zinc/17/11/35/570171135.db2.gz UOQXIMXRQMULSU-MYVOUCEISA-N 0 0 487.463 6.426 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409213613 570171147 /nfs/dbraw/zinc/17/11/47/570171147.db2.gz PYQKXLOLHIULOB-OEAKJJBVSA-N 0 0 460.349 5.284 40 30 JKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213669 570171187 /nfs/dbraw/zinc/17/11/87/570171187.db2.gz QDWPZXJUDMYNMB-LGJNPRDNSA-N 0 0 459.329 6.938 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409213785 570171274 /nfs/dbraw/zinc/17/12/74/570171274.db2.gz UPFRJENWUMPOPJ-AFUMVMLFSA-N 0 0 464.370 6.219 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409213962 570171437 /nfs/dbraw/zinc/17/14/37/570171437.db2.gz VOEOPTAVOHNTJG-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214028 570171404 /nfs/dbraw/zinc/17/14/04/570171404.db2.gz WXTXTONOJMXVKU-AFUMVMLFSA-N 0 0 469.335 6.394 40 30 JKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1 ZINC000409213966 570171410 /nfs/dbraw/zinc/17/14/10/570171410.db2.gz VPFNFFWGQVWXTD-LGJNPRDNSA-N 0 0 471.782 6.487 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409214129 570171524 /nfs/dbraw/zinc/17/15/24/570171524.db2.gz VWYULDOKINPEJO-HTQRFZLASA-N 0 0 469.563 5.272 40 30 JKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409214303 570171626 /nfs/dbraw/zinc/17/16/26/570171626.db2.gz SIUDMKRTQBRTPC-LGJNPRDNSA-N 0 0 458.783 7.058 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(I)c1OCc1ccc(C)cc1 ZINC000409214731 570171738 /nfs/dbraw/zinc/17/17/38/570171738.db2.gz YJBUGEMDXIMWKV-AFUMVMLFSA-N 0 0 471.338 6.246 40 30 JKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409214680 570171709 /nfs/dbraw/zinc/17/17/09/570171709.db2.gz ZTIZNAGZKOFCSZ-LGJNPRDNSA-N 0 0 463.202 7.648 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409214584 570171756 /nfs/dbraw/zinc/17/17/56/570171756.db2.gz YIUBVYAWHRUQHJ-OKCVXOCRSA-N 0 0 464.392 8.183 40 30 JKEBRN Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2C)cc1 ZINC000409214583 570171761 /nfs/dbraw/zinc/17/17/61/570171761.db2.gz YIOYISBOQICYJR-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN Fc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409214521 570171764 /nfs/dbraw/zinc/17/17/64/570171764.db2.gz VPPJBGNGHGVEEP-OKCVXOCRSA-N 0 0 466.339 8.254 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1C ZINC000409214557 570171768 /nfs/dbraw/zinc/17/17/68/570171768.db2.gz YEMRACSYZNMUEH-DHRITJCHSA-N 0 0 473.208 7.158 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000409214821 570171855 /nfs/dbraw/zinc/17/18/55/570171855.db2.gz USYPEKHJGPELQN-NDZAJKAJSA-N 0 0 457.957 7.861 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409215029 570172011 /nfs/dbraw/zinc/17/20/11/570172011.db2.gz ZIKDSTREMXDKAV-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409215406 570172064 /nfs/dbraw/zinc/17/20/64/570172064.db2.gz YDDZXZPEYMVASU-GIJQJNRQSA-N 0 0 478.751 5.364 40 30 JKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409215411 570172079 /nfs/dbraw/zinc/17/20/79/570172079.db2.gz YGHHRZLBTQUDDP-ZMOGYAJESA-N 0 0 471.307 5.704 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409215326 570172116 /nfs/dbraw/zinc/17/21/16/570172116.db2.gz XQGAGVLHOHLBOF-AFUMVMLFSA-N 0 0 489.207 6.940 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000409215310 570172118 /nfs/dbraw/zinc/17/21/18/570172118.db2.gz XESRYBOYYKQVBQ-FJEPWZHXSA-N 0 0 477.391 7.532 40 30 JKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409215584 570172205 /nfs/dbraw/zinc/17/22/05/570172205.db2.gz BTNSJSXSYOOOOW-ZPEKZKEPSA-N 0 0 466.050 6.741 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1Cl ZINC000409215453 570172207 /nfs/dbraw/zinc/17/22/07/570172207.db2.gz ZCTJWAHTHVRYSN-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409215691 570172327 /nfs/dbraw/zinc/17/23/27/570172327.db2.gz DOEHEMRNBLMWNK-HFKVMNANSA-N 0 0 459.011 6.017 40 30 JKEBRN Fc1cccc(COc2c(Br)cc(Br)cc2/C=N/c2ccccc2)c1 ZINC000409215836 570172342 /nfs/dbraw/zinc/17/23/42/570172342.db2.gz FRQXWXCNUZZLKW-WYMPLXKRSA-N 0 0 463.144 6.680 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409215853 570172354 /nfs/dbraw/zinc/17/23/54/570172354.db2.gz FUNURXPBBDBNRJ-BUVRLJJBSA-N 0 0 474.376 5.675 40 30 JKEBRN Cc1cccc(COc2ccc(Br)cc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1 ZINC000409215727 570172356 /nfs/dbraw/zinc/17/23/56/570172356.db2.gz DSVSAWXYHGGEKC-MYVOUCEISA-N 0 0 487.463 6.426 40 30 JKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCc1ccncc1 ZINC000409215964 570172441 /nfs/dbraw/zinc/17/24/41/570172441.db2.gz CNEUZCWEKGXYSU-YEPJEUQFSA-N 0 0 459.615 6.504 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409216051 570172455 /nfs/dbraw/zinc/17/24/55/570172455.db2.gz HNVTYIIIAIBJAV-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409215996 570172458 /nfs/dbraw/zinc/17/24/58/570172458.db2.gz HDOWKTGIBYNZQS-CVKSISIWSA-N 0 0 457.979 6.182 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409215939 570172478 /nfs/dbraw/zinc/17/24/78/570172478.db2.gz CGBJPYBSFZHALV-RPPGKUMJSA-N 0 0 479.201 7.403 40 30 JKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409216198 570172594 /nfs/dbraw/zinc/17/25/94/570172594.db2.gz GDUDXJBWVGTBOA-ZVHZXABRSA-N 0 0 474.376 5.593 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409216180 570172597 /nfs/dbraw/zinc/17/25/97/570172597.db2.gz ILWOZZWKRXTHLE-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409216108 570172608 /nfs/dbraw/zinc/17/26/08/570172608.db2.gz FAKOPZWDUWRMCN-MFKUBSTISA-N 0 0 485.175 6.767 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCCC(C)C)[C@]1(C)CC3 ZINC000263613379 570172639 /nfs/dbraw/zinc/17/26/39/570172639.db2.gz ZFHQSJSZZADTSC-PNOHDZCOSA-N 0 0 484.765 8.309 40 30 JKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3 ZINC000263613378 570172644 /nfs/dbraw/zinc/17/26/44/570172644.db2.gz ZFHQSJSZZADTSC-MNGVQJHESA-N 0 0 484.765 8.309 40 30 JKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409216372 570172673 /nfs/dbraw/zinc/17/26/73/570172673.db2.gz HRHKKSHVWAZIQI-SXVACTGTSA-N 0 0 450.435 6.490 40 30 JKEBRN C=C(C)[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)CC ZINC000263612838 570172670 /nfs/dbraw/zinc/17/26/70/570172670.db2.gz YOXXESRXSQRNHU-UFEGQHGSSA-N 0 0 452.723 8.292 40 30 JKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1C ZINC000409216475 570172692 /nfs/dbraw/zinc/17/26/92/570172692.db2.gz LMMMYHHUXVSTOD-KKMKTNMSSA-N 0 0 493.279 7.536 40 30 JKEBRN C=C(C)[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C)CC ZINC000263612835 570172700 /nfs/dbraw/zinc/17/27/00/570172700.db2.gz YOXXESRXSQRNHU-JZJUSDNISA-N 0 0 452.723 8.292 40 30 JKEBRN Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000409216465 570172728 /nfs/dbraw/zinc/17/27/28/570172728.db2.gz LJPDRUXRMSRJCD-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409216476 570172730 /nfs/dbraw/zinc/17/27/30/570172730.db2.gz LNNPCPJBEGWZEF-BRJLIKDPSA-N 0 0 493.626 7.503 40 30 JKEBRN COc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409216671 570172742 /nfs/dbraw/zinc/17/27/42/570172742.db2.gz NRDLQTUVBPOREL-WKULSOCRSA-N 0 0 466.415 7.318 40 30 JKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409216618 570172818 /nfs/dbraw/zinc/17/28/18/570172818.db2.gz JZJBDGRZQBLNIB-ZVHZXABRSA-N 0 0 455.308 6.086 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000409216524 570172829 /nfs/dbraw/zinc/17/28/29/570172829.db2.gz IXHJCAYTSLKHSC-RWPZCVJISA-N 0 0 464.790 7.894 40 30 JKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409216849 570172851 /nfs/dbraw/zinc/17/28/51/570172851.db2.gz OYLYAOHGEFFMKZ-KBKYJPHKSA-N 0 0 483.620 8.047 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409216704 570172879 /nfs/dbraw/zinc/17/28/79/570172879.db2.gz KHHUYUJUQHEBKZ-ZMOGYAJESA-N 0 0 471.853 6.107 40 30 JKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1C(C)C ZINC000409216915 570172899 /nfs/dbraw/zinc/17/28/99/570172899.db2.gz MJKJGELFDONVIS-KQSCOELBSA-N 0 0 478.368 5.706 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2cccc(F)c2)c(C)c1 ZINC000409216901 570172905 /nfs/dbraw/zinc/17/29/05/570172905.db2.gz MERYXNGKVDVMHG-RPPGKUMJSA-N 0 0 491.198 7.297 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(OC)c1O ZINC000409216937 570173045 /nfs/dbraw/zinc/17/30/45/570173045.db2.gz PWUCQMCYJVAJFZ-MFOYZWKCSA-N 0 0 496.835 5.951 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409217214 570173095 /nfs/dbraw/zinc/17/30/95/570173095.db2.gz OBZVKLQOEQJALE-VULFUBBASA-N 0 0 474.782 6.839 40 30 JKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409217309 570173105 /nfs/dbraw/zinc/17/31/05/570173105.db2.gz BHJBHWJZJVMEPF-DHRITJCHSA-N 0 0 460.755 6.449 40 30 JKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000409217164 570173126 /nfs/dbraw/zinc/17/31/26/570173126.db2.gz SUSKTMIKURHMAM-DHRITJCHSA-N 0 0 457.755 6.179 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409217332 570173128 /nfs/dbraw/zinc/17/31/28/570173128.db2.gz BKMIFECAQCZAPI-MZJWZYIUSA-N 0 0 472.810 7.448 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)N1C(C)C ZINC000409217181 570173134 /nfs/dbraw/zinc/17/31/34/570173134.db2.gz SZBCLUJKGWWFGO-FBWGNZTPSA-N 0 0 498.446 5.989 40 30 JKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCc1ccccc1 ZINC000409217411 570173203 /nfs/dbraw/zinc/17/32/03/570173203.db2.gz UJRINPLOEZWNDG-CVKSISIWSA-N 0 0 485.365 6.636 40 30 JKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000409217584 570173209 /nfs/dbraw/zinc/17/32/09/570173209.db2.gz QJUBHQHOTGTBNM-FSJBWODESA-N 0 0 470.279 6.425 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409217614 570173234 /nfs/dbraw/zinc/17/32/34/570173234.db2.gz QTNARCBPHSJNHZ-RWPZCVJISA-N 0 0 495.417 6.541 40 30 JKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409217565 570173244 /nfs/dbraw/zinc/17/32/44/570173244.db2.gz QCPWCBXPVHWEOA-XODNFHPESA-N 0 0 471.384 6.695 40 30 JKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1C(C)C ZINC000409217705 570173384 /nfs/dbraw/zinc/17/33/84/570173384.db2.gz FPCXEGLNRNRNTK-JKWKCKJXSA-N 0 0 462.575 5.687 40 30 JKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409218036 570173444 /nfs/dbraw/zinc/17/34/44/570173444.db2.gz SGMSRKAWMMQISI-LGJNPRDNSA-N 0 0 487.781 6.188 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409218037 570173472 /nfs/dbraw/zinc/17/34/72/570173472.db2.gz GXBNINCVCAGROK-ZMOGYAJESA-N 0 0 468.307 5.434 40 30 JKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409218272 570173490 /nfs/dbraw/zinc/17/34/90/570173490.db2.gz ZUVPFBKJCIVYQU-CVKSISIWSA-N 0 0 499.361 6.484 40 30 JKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1 ZINC000409218318 570173615 /nfs/dbraw/zinc/17/36/15/570173615.db2.gz HXZBKWFNQVEJCJ-JFLMPSFJSA-N 0 0 499.392 6.945 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)cc2)cc1 ZINC000409219300 570173798 /nfs/dbraw/zinc/17/37/98/570173798.db2.gz LBEUAJDYWTVPHP-UHFFFAOYSA-N 0 0 470.569 5.056 40 30 JKEBRN Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)cc1Cl ZINC000409219791 570173959 /nfs/dbraw/zinc/17/39/59/570173959.db2.gz UUJOWYVHEVIUFW-VULFUBBASA-N 0 0 461.861 7.161 40 30 JKEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409220144 570174027 /nfs/dbraw/zinc/17/40/27/570174027.db2.gz YPRDUJUKOVDNLQ-DHRITJCHSA-N 0 0 498.333 5.442 40 30 JKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409219992 570174045 /nfs/dbraw/zinc/17/40/45/570174045.db2.gz WZWYLUJHODTKOA-HZHRSRAPSA-N 0 0 460.349 5.366 40 30 JKEBRN C#CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br ZINC000409221025 570174313 /nfs/dbraw/zinc/17/43/13/570174313.db2.gz JLYWOBGICUXSHQ-WOJGMQOQSA-N 0 0 461.768 5.315 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409221252 570174442 /nfs/dbraw/zinc/17/44/42/570174442.db2.gz NNEAXCNKNCARDT-KGENOOAVSA-N 0 0 468.531 5.357 40 30 JKEBRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409221269 570174454 /nfs/dbraw/zinc/17/44/54/570174454.db2.gz NTGZPTDDMUAKMD-YBFXNURJSA-N 0 0 477.369 5.517 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409221911 570174725 /nfs/dbraw/zinc/17/47/25/570174725.db2.gz VTSMTFVLIREPLK-PXLXIMEGSA-N 0 0 471.550 5.215 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(I)c(C)c3)o2)c(Br)c1 ZINC000409221976 570174794 /nfs/dbraw/zinc/17/47/94/570174794.db2.gz AHVZTUNDONIBEC-JJFYIABZSA-N 0 0 480.143 6.681 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 ZINC000409224345 570175559 /nfs/dbraw/zinc/17/55/59/570175559.db2.gz KYAYGKYWGYDSFK-UHFFFAOYSA-N 0 0 470.569 5.056 40 30 JKEBRN CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409224646 570175572 /nfs/dbraw/zinc/17/55/72/570175572.db2.gz LMJXCEKGAXOWOF-AFUMVMLFSA-N 0 0 453.882 5.415 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCC ZINC000409224705 570175584 /nfs/dbraw/zinc/17/55/84/570175584.db2.gz IRUUTHZTIDYTSN-WOJGMQOQSA-N 0 0 451.375 5.991 40 30 JKEBRN C=CCOc1cc(Br)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409226388 570176059 /nfs/dbraw/zinc/17/60/59/570176059.db2.gz NKVOXLCSTGWIBC-LICLKQGHSA-N 0 0 477.742 5.163 40 30 JKEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409227304 570176162 /nfs/dbraw/zinc/17/61/62/570176162.db2.gz ZDRQKUXSQDATJV-BRJLIKDPSA-N 0 0 458.301 5.978 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409227584 570176369 /nfs/dbraw/zinc/17/63/69/570176369.db2.gz QGXVXBVGSBXCHQ-RGVLZGJSSA-N 0 0 475.372 5.612 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409228158 570176574 /nfs/dbraw/zinc/17/65/74/570176574.db2.gz UVMRYILHQKUKDJ-BUVRLJJBSA-N 0 0 488.971 6.062 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)S1 ZINC000409228189 570176582 /nfs/dbraw/zinc/17/65/82/570176582.db2.gz VOZZTGFOFHLTGZ-WOJGMQOQSA-N 0 0 477.463 7.406 40 30 JKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1C ZINC000409228204 570176591 /nfs/dbraw/zinc/17/65/91/570176591.db2.gz VWRDNZFSRHWZKW-SSDVNMTOSA-N 0 0 496.976 5.864 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409228844 570176838 /nfs/dbraw/zinc/17/68/38/570176838.db2.gz FXTTULZFDXOWFM-SWIDWIQLSA-N 0 0 489.037 6.549 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C1=N/c1ccc(F)cc1 ZINC000409229690 570177272 /nfs/dbraw/zinc/17/72/72/570177272.db2.gz SWRFBGGPMFEKJV-WUDIKGTHSA-N 0 0 471.897 6.271 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409230541 570177576 /nfs/dbraw/zinc/17/75/76/570177576.db2.gz ZERSSERCPOFYIB-AOFZEWBLSA-N 0 0 462.546 6.037 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)S1 ZINC000409230254 570177588 /nfs/dbraw/zinc/17/75/88/570177588.db2.gz XUBWTANNCHGTEE-LPYMAVHISA-N 0 0 479.945 6.027 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(OCC)c1OCC ZINC000409230274 570177607 /nfs/dbraw/zinc/17/76/07/570177607.db2.gz BROXTGBEJHFALV-KGENOOAVSA-N 0 0 456.995 6.066 40 30 JKEBRN CCCCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000301054340 570177878 /nfs/dbraw/zinc/17/78/78/570177878.db2.gz OXXNTXVXBWLYQE-IOTUKHIESA-N 0 0 456.711 7.961 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409232174 570178334 /nfs/dbraw/zinc/17/83/34/570178334.db2.gz NKJBCSYMGQCCOY-FYJGNVAPSA-N 0 0 492.424 6.756 40 30 JKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409232545 570178339 /nfs/dbraw/zinc/17/83/39/570178339.db2.gz QWPJTKAHPZHBHV-GOESLVMASA-N 0 0 466.006 6.380 40 30 JKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000409232847 570178439 /nfs/dbraw/zinc/17/84/39/570178439.db2.gz SNNYFVVJQYUIJN-LPYMAVHISA-N 0 0 499.419 6.781 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409232656 570178502 /nfs/dbraw/zinc/17/85/02/570178502.db2.gz AYYKLASYXSZHPJ-RGVLZGJSSA-N 0 0 490.843 7.254 40 30 JKEBRN COc1ccccc1Oc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409233049 570178552 /nfs/dbraw/zinc/17/85/52/570178552.db2.gz JQIQJBXMNLVXDJ-DXJNIWACSA-N 0 0 450.513 7.380 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409233675 570178770 /nfs/dbraw/zinc/17/87/70/570178770.db2.gz HEDJJAQDMOAECK-UDWIEESQSA-N 0 0 475.372 5.612 40 30 JKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409234113 570178897 /nfs/dbraw/zinc/17/88/97/570178897.db2.gz ZAEXWYFLRGYMPO-FSJBWODESA-N 0 0 496.394 7.027 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409233822 570178917 /nfs/dbraw/zinc/17/89/17/570178917.db2.gz HUEQLVGYCQMYTM-FOOOUSIWSA-N 0 0 496.991 6.691 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 ZINC000409233852 570178924 /nfs/dbraw/zinc/17/89/24/570178924.db2.gz UDCQEEANTIUERH-PHSRYYMBSA-N 0 0 489.553 5.806 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)S/C1=N/c1ccc(F)cc1 ZINC000409234131 570178930 /nfs/dbraw/zinc/17/89/30/570178930.db2.gz MCEVJUMUGBOTPI-YWIDBZNQSA-N 0 0 464.518 5.805 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409234452 570179035 /nfs/dbraw/zinc/17/90/35/570179035.db2.gz WTKYJHYMEUCQFJ-CJLVFECKSA-N 0 0 453.560 5.076 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S1 ZINC000409234705 570179191 /nfs/dbraw/zinc/17/91/91/570179191.db2.gz XKYQKBQDHGVMHJ-LPYMAVHISA-N 0 0 469.393 6.772 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409235090 570179356 /nfs/dbraw/zinc/17/93/56/570179356.db2.gz NUKCCQJKMZCTQQ-UCGGZGCLSA-N 0 0 488.415 7.164 40 30 JKEBRN CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)S/C1=N/c1ccc(F)cc1 ZINC000409235594 570179491 /nfs/dbraw/zinc/17/94/91/570179491.db2.gz CKMAYUFCESDZFL-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000409235517 570179539 /nfs/dbraw/zinc/17/95/39/570179539.db2.gz BXXNSLSDMNMJDJ-LPYMAVHISA-N 0 0 469.393 6.772 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409235705 570179623 /nfs/dbraw/zinc/17/96/23/570179623.db2.gz PWCGTTJNIOJVCB-CSBWODFHSA-N 0 0 491.588 5.952 40 30 JKEBRN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409235788 570179629 /nfs/dbraw/zinc/17/96/29/570179629.db2.gz QQMNBFKQNVHKBX-PBKXMLBXSA-N 0 0 480.568 6.324 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409235998 570179777 /nfs/dbraw/zinc/17/97/77/570179777.db2.gz RBGZHPQONQDXDQ-ASAQIREPSA-N 0 0 463.515 5.796 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409236149 570179794 /nfs/dbraw/zinc/17/97/94/570179794.db2.gz RMIMEFAUZIDTMB-NNZXPMSNSA-N 0 0 496.032 6.389 40 30 JKEBRN CCOC(=O)Cn1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 ZINC000409236269 570179873 /nfs/dbraw/zinc/17/98/73/570179873.db2.gz FZCNEFZOZOVHIX-RGVLZGJSSA-N 0 0 453.951 5.058 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409237040 570180152 /nfs/dbraw/zinc/18/01/52/570180152.db2.gz VFGKMEMDBKEEAU-JMCHZZBBSA-N 0 0 458.583 6.207 40 30 JKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)o2)cc1 ZINC000409237097 570180215 /nfs/dbraw/zinc/18/02/15/570180215.db2.gz IYBDCLMEKOKUME-FYJGNVAPSA-N 0 0 466.946 5.977 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409237293 570180261 /nfs/dbraw/zinc/18/02/61/570180261.db2.gz JITFMAWPWPRENR-PXLXIMEGSA-N 0 0 488.005 5.729 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(Br)cc1O ZINC000409237516 570180375 /nfs/dbraw/zinc/18/03/75/570180375.db2.gz XDUWNQMPLXMJPR-XTJABLFPSA-N 0 0 477.380 5.186 40 30 JKEBRN C#CCOc1c(CC=C)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OCC ZINC000409237692 570180538 /nfs/dbraw/zinc/18/05/38/570180538.db2.gz BEXTUSWSYZABOM-PTQZRYDVSA-N 0 0 476.598 5.458 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)S1 ZINC000409238270 570180719 /nfs/dbraw/zinc/18/07/19/570180719.db2.gz MHOLBGITMRHSND-LPYMAVHISA-N 0 0 452.938 6.258 40 30 JKEBRN CCOc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(OC)cc4)N(CC)C3=O)c2C)cc1 ZINC000409238212 570180728 /nfs/dbraw/zinc/18/07/28/570180728.db2.gz CUOPDCPNOAHMMF-JMCHZZBBSA-N 0 0 475.614 6.125 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409238401 570180801 /nfs/dbraw/zinc/18/08/01/570180801.db2.gz ZLGWUINECQGQTD-FYCBZXFJSA-N 0 0 483.933 6.141 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 ZINC000409238572 570180879 /nfs/dbraw/zinc/18/08/79/570180879.db2.gz DZIMHMPBGVAQOQ-DFLSCLMCSA-N 0 0 455.558 6.453 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409238790 570181003 /nfs/dbraw/zinc/18/10/03/570181003.db2.gz NULNOWPFTVXBMR-BUFWBFRFSA-N 0 0 450.510 6.168 40 30 JKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409239903 570181364 /nfs/dbraw/zinc/18/13/64/570181364.db2.gz ODBHNIGUWYQNIH-FYJGNVAPSA-N 0 0 489.399 6.002 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)cc1 ZINC000409239773 570181366 /nfs/dbraw/zinc/18/13/66/570181366.db2.gz QGVGRFYVRBBBIA-OEAKJJBVSA-N 0 0 492.000 5.866 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409239701 570181380 /nfs/dbraw/zinc/18/13/80/570181380.db2.gz IMWNTTZKQRBJPE-MTJSOVHGSA-N 0 0 466.950 5.856 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000409239761 570181453 /nfs/dbraw/zinc/18/14/53/570181453.db2.gz QGDDCPUVXILIAT-ZVHZXABRSA-N 0 0 496.991 6.657 40 30 JKEBRN CNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329013608 570181703 /nfs/dbraw/zinc/18/17/03/570181703.db2.gz MRILRHVTVILWIY-UHFFFAOYSA-N 0 0 496.333 5.709 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S1 ZINC000409240656 570181741 /nfs/dbraw/zinc/18/17/41/570181741.db2.gz LQRJXLITFTYLSU-YBFXNURJSA-N 0 0 473.779 6.563 40 30 JKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc43)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409241001 570181848 /nfs/dbraw/zinc/18/18/48/570181848.db2.gz MTTCICWKNNJNCB-GPCSKMTCSA-N 0 0 469.585 7.010 40 30 JKEBRN CC(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329019864 570181923 /nfs/dbraw/zinc/18/19/23/570181923.db2.gz NYRYORCDOILMOY-UHFFFAOYSA-N 0 0 474.380 5.608 40 30 JKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)S2)c1 ZINC000409241117 570182004 /nfs/dbraw/zinc/18/20/04/570182004.db2.gz IUCJPKGHLYJQJO-NDENLUEZSA-N 0 0 453.361 6.218 40 30 JKEBRN COCCN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 ZINC000409241216 570182005 /nfs/dbraw/zinc/18/20/05/570182005.db2.gz JMOZOJOXCCFWHQ-MQIBBLKQSA-N 0 0 485.584 6.079 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409241398 570182122 /nfs/dbraw/zinc/18/21/22/570182122.db2.gz XEOAJNSJTHLBPO-ZVHZXABRSA-N 0 0 464.034 7.071 40 30 JKEBRN CCOc1cc(Br)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c1O ZINC000409242138 570182389 /nfs/dbraw/zinc/18/23/89/570182389.db2.gz MOXOETRHLAQTFR-NWJIYFRJSA-N 0 0 477.380 5.186 40 30 JKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)S1 ZINC000409241946 570182415 /nfs/dbraw/zinc/18/24/15/570182415.db2.gz ZLKZFFQCYUTDFJ-ZMOGYAJESA-N 0 0 475.976 6.682 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409242404 570182455 /nfs/dbraw/zinc/18/24/55/570182455.db2.gz UQWWATOHRWIZDL-DRMKFXMXSA-N 0 0 476.514 5.415 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000409243020 570182845 /nfs/dbraw/zinc/18/28/45/570182845.db2.gz UMAJRVXGAZJVKW-PXLXIMEGSA-N 0 0 472.006 6.493 40 30 JKEBRN CCOc1cc(Br)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c1O ZINC000409243410 570182958 /nfs/dbraw/zinc/18/29/58/570182958.db2.gz YLQMCYBUQDKPPX-MDRWVBAWSA-N 0 0 465.344 5.316 40 30 JKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409244441 570183424 /nfs/dbraw/zinc/18/34/24/570183424.db2.gz CSFDMNXNILMADF-XODNFHPESA-N 0 0 456.399 6.202 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000409244529 570183461 /nfs/dbraw/zinc/18/34/61/570183461.db2.gz FAULBPYXDOKZAJ-LPYMAVHISA-N 0 0 452.938 6.258 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)S/C1=N/c1ccc(F)cc1 ZINC000409244710 570183592 /nfs/dbraw/zinc/18/35/92/570183592.db2.gz HPTGZQHBSZLXTQ-FYCBZXFJSA-N 0 0 467.478 5.626 40 30 JKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccccn1 ZINC000409245079 570183684 /nfs/dbraw/zinc/18/36/84/570183684.db2.gz NBQYFZCUTBXKBX-QLQJGXFRSA-N 0 0 458.587 5.272 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)S1 ZINC000409245453 570183921 /nfs/dbraw/zinc/18/39/21/570183921.db2.gz TWPLHMXHRUEXRL-VCHYOVAHSA-N 0 0 465.800 6.090 40 30 JKEBRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409245599 570183943 /nfs/dbraw/zinc/18/39/43/570183943.db2.gz WIPFUUNEFOZXGI-YDZHTSKRSA-N 0 0 487.943 5.282 40 30 JKEBRN COc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C(=O)N2Cc2ccco2)cc1 ZINC000409245815 570184114 /nfs/dbraw/zinc/18/41/14/570184114.db2.gz ZJBJINWPDIHKEN-NWEZUEQQSA-N 0 0 484.581 5.895 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409246081 570184223 /nfs/dbraw/zinc/18/42/23/570184223.db2.gz DPELEGVEPUSQLS-FYCBZXFJSA-N 0 0 451.479 5.926 40 30 JKEBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409246532 570184406 /nfs/dbraw/zinc/18/44/06/570184406.db2.gz CMDLZQSHYLWGIV-YDZHTSKRSA-N 0 0 470.598 5.307 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409247303 570184678 /nfs/dbraw/zinc/18/46/78/570184678.db2.gz MGORVSRWYKTHLZ-JMCHZZBBSA-N 0 0 458.583 6.207 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000409247273 570184692 /nfs/dbraw/zinc/18/46/92/570184692.db2.gz LWYCBTBLBRPRAS-WSDLNYQXSA-N 0 0 470.425 6.909 40 30 JKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409247359 570184784 /nfs/dbraw/zinc/18/47/84/570184784.db2.gz NFNHLSCTJLFDRR-SSDVNMTOSA-N 0 0 470.425 6.909 40 30 JKEBRN CCOCCN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 ZINC000409247570 570184790 /nfs/dbraw/zinc/18/47/90/570184790.db2.gz DJOWWLXYWJNADO-WAXYGJJXSA-N 0 0 499.611 6.469 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3cccc(I)c3)o2)c(Br)c1 ZINC000409247655 570184836 /nfs/dbraw/zinc/18/48/36/570184836.db2.gz FGLNEZYKYGATNK-NHDPSOOVSA-N 0 0 466.116 6.373 40 30 JKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1OCc1cccc(C)c1 ZINC000409247961 570184918 /nfs/dbraw/zinc/18/49/18/570184918.db2.gz FHLWCSVUWWSULD-GPCSKMTCSA-N 0 0 490.600 6.736 40 30 JKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCc1ccccc1 ZINC000409248277 570185061 /nfs/dbraw/zinc/18/50/61/570185061.db2.gz OYGRYQKYOQMJMW-BUVRLJJBSA-N 0 0 479.001 6.518 40 30 JKEBRN CCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S/C1=N/c1ccc(OC)cc1 ZINC000409248747 570185205 /nfs/dbraw/zinc/18/52/05/570185205.db2.gz IKEAHZMMKZFRKY-AUNKUFDMSA-N 0 0 456.365 5.563 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000409249109 570185304 /nfs/dbraw/zinc/18/53/04/570185304.db2.gz MQSVHMRBHYRBMO-VXLYETTFSA-N 0 0 463.773 7.107 40 30 JKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(I)cc3)o2)c(Br)c1 ZINC000409249791 570185442 /nfs/dbraw/zinc/18/54/42/570185442.db2.gz LLTZWGLNZNFGRN-NHDPSOOVSA-N 0 0 466.116 6.373 40 30 JKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S1 ZINC000409250156 570185582 /nfs/dbraw/zinc/18/55/82/570185582.db2.gz MMBGTZFLTJAERL-LICLKQGHSA-N 0 0 450.789 5.369 40 30 JKEBRN COc1cc(Br)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1OC ZINC000409250360 570185623 /nfs/dbraw/zinc/18/56/23/570185623.db2.gz NIUPZJXVWHKCMR-LZYBPNLTSA-N 0 0 467.772 5.320 40 30 JKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409251369 570185895 /nfs/dbraw/zinc/18/58/95/570185895.db2.gz PSHPWUUSMDVIAA-VCICBFQVSA-N 0 0 477.517 5.937 40 30 JKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cccc1OC ZINC000408526926 570186267 /nfs/dbraw/zinc/18/62/67/570186267.db2.gz CVOCECLBOVNLBH-WQRHYEAKSA-N 0 0 450.343 5.803 40 30 JKEBRN CCOc1ccccc1-c1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n[nH]1 ZINC000408526864 570186293 /nfs/dbraw/zinc/18/62/93/570186293.db2.gz HOZAVIBKTAXJOA-HNNXBMFYSA-N 0 0 495.674 5.685 40 30 JKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000408527168 570186297 /nfs/dbraw/zinc/18/62/97/570186297.db2.gz BBOQEPKBJGOBAM-UCQKPKSFSA-N 0 0 496.991 6.657 40 30 JKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408527259 570186311 /nfs/dbraw/zinc/18/63/11/570186311.db2.gz BPMZSVIFQOSGAT-XKZIYDEJSA-N 0 0 482.964 6.267 40 30 JKEBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408527964 570186546 /nfs/dbraw/zinc/18/65/46/570186546.db2.gz DMJSDEUVAGTDTH-ORVWWNJKSA-N 0 0 470.337 6.710 40 30 JKEBRN NC(=O)COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408528171 570186648 /nfs/dbraw/zinc/18/66/48/570186648.db2.gz CVKXFRSXJIOSPY-QFVKKHJYSA-N 0 0 463.946 5.013 40 30 JKEBRN Cc1ccc(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c(C)c1 ZINC000409254958 570186684 /nfs/dbraw/zinc/18/66/84/570186684.db2.gz JYQSHUQNTLZQRQ-UHFFFAOYSA-N 0 0 471.553 5.449 40 30 JKEBRN C#CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000408528189 570186681 /nfs/dbraw/zinc/18/66/81/570186681.db2.gz DAZYMWHBYGLSDA-JOSMFYORSA-N 0 0 479.388 6.814 40 30 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570200286 /nfs/dbraw/zinc/20/02/86/570200286.db2.gz YNLIQAGWOJREOB-UHFFFAOYSA-N 0 0 490.401 5.881 40 30 JKEBRN CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@@H](C)CC ZINC000409316405 570200325 /nfs/dbraw/zinc/20/03/25/570200325.db2.gz QAJCIGYPHITUAM-GJZGRUSLSA-N 0 0 490.829 6.385 40 30 JKEBRN C#CCOc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1 ZINC000409317909 570200519 /nfs/dbraw/zinc/20/05/19/570200519.db2.gz SAMRIQYGSANRPJ-UHFFFAOYSA-N 0 0 464.363 5.101 40 30 JKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000408560690 570200556 /nfs/dbraw/zinc/20/05/56/570200556.db2.gz NPEFCAZNKPTKMK-UHFFFAOYSA-N 0 0 493.430 5.701 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409317950 570200563 /nfs/dbraw/zinc/20/05/63/570200563.db2.gz SFWTWTCKLHVYAR-NSHDSACASA-N 0 0 453.167 5.862 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C(C)C)c2ccccc12 ZINC000409318547 570200623 /nfs/dbraw/zinc/20/06/23/570200623.db2.gz WMRYXLLFXOMJTB-UHFFFAOYSA-N 0 0 465.395 5.919 40 30 JKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000409318211 570200687 /nfs/dbraw/zinc/20/06/87/570200687.db2.gz XRSRFGYQOQQNIK-MTJSOVHGSA-N 0 0 471.347 6.505 40 30 JKEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1 ZINC000408560875 570200714 /nfs/dbraw/zinc/20/07/14/570200714.db2.gz PZKADOQVUOAARV-UHFFFAOYSA-N 0 0 471.652 5.368 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409319071 570200745 /nfs/dbraw/zinc/20/07/45/570200745.db2.gz ZSCYSAJAILGXJO-UHFFFAOYSA-N 0 0 495.396 5.930 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C(C)=O)c2ccccc12 ZINC000409318823 570200752 /nfs/dbraw/zinc/20/07/52/570200752.db2.gz ZWGBHLIFTKKTDW-CQSZACIVSA-N 0 0 465.351 5.170 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)c(Cl)c1 ZINC000409319293 570200753 /nfs/dbraw/zinc/20/07/53/570200753.db2.gz DAKAWUPNUHOWPO-CABCVRRESA-N 0 0 490.829 6.385 40 30 JKEBRN CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)n1C ZINC000408561181 570200831 /nfs/dbraw/zinc/20/08/31/570200831.db2.gz YMNFKLVZYOFVLG-UHFFFAOYSA-N 0 0 473.668 5.499 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OC(C)=O)c(Cl)c1 ZINC000409319430 570200851 /nfs/dbraw/zinc/20/08/51/570200851.db2.gz GAXSNPBMZLJGIP-UHFFFAOYSA-N 0 0 497.176 5.226 40 30 JKEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OC ZINC000409319685 570200868 /nfs/dbraw/zinc/20/08/68/570200868.db2.gz KFQNTQHKPHUXFU-UHFFFAOYSA-N 0 0 484.394 5.130 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)CC)c(Cl)c1 ZINC000409319432 570200876 /nfs/dbraw/zinc/20/08/76/570200876.db2.gz GBEKOPHCMMNOPN-AWEZNQCLSA-N 0 0 476.802 5.824 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCCC2)cc1F ZINC000409319401 570200899 /nfs/dbraw/zinc/20/08/99/570200899.db2.gz FNOHYGXAYUTHJK-UHFFFAOYSA-N 0 0 471.374 5.123 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCc2cccc(F)c2)c1 ZINC000409320081 570200964 /nfs/dbraw/zinc/20/09/64/570200964.db2.gz BQQRJEZFGSNFOU-UHFFFAOYSA-N 0 0 494.364 5.712 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O[C@@H](C)CC ZINC000409319914 570200969 /nfs/dbraw/zinc/20/09/69/570200969.db2.gz NPCFUSOPUVTUDI-AWEZNQCLSA-N 0 0 476.802 5.824 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCC2)c(F)c1 ZINC000409320014 570200975 /nfs/dbraw/zinc/20/09/75/570200975.db2.gz AVOXDLBZTMOQKR-UHFFFAOYSA-N 0 0 471.374 5.123 40 30 JKEBRN COCCn1c(C)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c1C ZINC000409319831 570200979 /nfs/dbraw/zinc/20/09/79/570200979.db2.gz MJDFNAKOCOFCCQ-UHFFFAOYSA-N 0 0 485.426 5.154 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000409319977 570200999 /nfs/dbraw/zinc/20/09/99/570200999.db2.gz OGNARIMYALEEAF-UHFFFAOYSA-N 0 0 488.389 5.273 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000409319933 570201018 /nfs/dbraw/zinc/20/10/18/570201018.db2.gz NVOBWIJDJPGQGM-AWEZNQCLSA-N 0 0 498.808 6.777 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(F)c(N2CCCC2)cc1C ZINC000409320603 570201100 /nfs/dbraw/zinc/20/11/00/570201100.db2.gz CBTXCHZBIPAQQX-OAHLLOKOSA-N 0 0 485.401 5.602 40 30 JKEBRN CC(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc1 ZINC000409320750 570201113 /nfs/dbraw/zinc/20/11/13/570201113.db2.gz CPULVRJCQYYRRQ-UHFFFAOYSA-N 0 0 452.396 6.212 40 30 JKEBRN C=CCOc1ccc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1Cl ZINC000409320501 570201127 /nfs/dbraw/zinc/20/11/27/570201127.db2.gz QBPUQJLPGOFQEY-UHFFFAOYSA-N 0 0 460.759 5.212 40 30 JKEBRN C=CCOc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cccc1[N+](=O)[O-] ZINC000409321372 570201280 /nfs/dbraw/zinc/20/12/80/570201280.db2.gz GABBACMLKLMIJU-CQSZACIVSA-N 0 0 485.338 5.028 40 30 JKEBRN C=CCOc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc1OCC ZINC000409322207 570201315 /nfs/dbraw/zinc/20/13/15/570201315.db2.gz JHFIPSRTEAMODI-MRXNPFEDSA-N 0 0 484.394 5.518 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc2c(cc1Cl)OCO2 ZINC000409322128 570201355 /nfs/dbraw/zinc/20/13/55/570201355.db2.gz IUHXXFOUOZLOED-UHFFFAOYSA-N 0 0 488.769 5.471 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000409322752 570201424 /nfs/dbraw/zinc/20/14/24/570201424.db2.gz KUEYTOAZOGKKGL-UHFFFAOYSA-N 0 0 483.193 5.699 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C2CCCC2)c1C ZINC000409322642 570201425 /nfs/dbraw/zinc/20/14/25/570201425.db2.gz KGCAJBVMOUXBCV-OAHLLOKOSA-N 0 0 469.427 6.088 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1O ZINC000409322476 570201429 /nfs/dbraw/zinc/20/14/29/570201429.db2.gz XOPJMIHKSNEGRW-NSHDSACASA-N 0 0 479.172 5.023 40 30 JKEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OC ZINC000409322326 570201455 /nfs/dbraw/zinc/20/14/55/570201455.db2.gz IZTNSUQGYXESKU-UHFFFAOYSA-N 0 0 484.394 5.496 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C2CCCC2)c1C ZINC000409322640 570201502 /nfs/dbraw/zinc/20/15/02/570201502.db2.gz KGCAJBVMOUXBCV-HNNXBMFYSA-N 0 0 469.427 6.088 40 30 JKEBRN CC[C@@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)c1 ZINC000409323615 570201549 /nfs/dbraw/zinc/20/15/49/570201549.db2.gz OSQFWGRVECHWEU-HZPDHXFCSA-N 0 0 456.384 5.732 40 30 JKEBRN CCOc1cc(C)c(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc1C(C)C ZINC000409324690 570201792 /nfs/dbraw/zinc/20/17/92/570201792.db2.gz UWLDTQAFXCPDCI-INIZCTEOSA-N 0 0 484.438 6.385 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(Cc2ccccc2)c1C ZINC000409324717 570201820 /nfs/dbraw/zinc/20/18/20/570201820.db2.gz VCPVPXSREOJJOS-UHFFFAOYSA-N 0 0 477.406 5.460 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(F)cc1 ZINC000409324404 570201837 /nfs/dbraw/zinc/20/18/37/570201837.db2.gz UABXQBHCRYRYLA-UHFFFAOYSA-N 0 0 467.342 5.314 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000409325057 570201904 /nfs/dbraw/zinc/20/19/04/570201904.db2.gz WJCCNHOKACVXHB-UHFFFAOYSA-N 0 0 494.349 5.083 40 30 JKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(Br)cc1 ZINC000409325208 570201922 /nfs/dbraw/zinc/20/19/22/570201922.db2.gz XSQAZVCXJXSMSL-UHFFFAOYSA-N 0 0 489.211 5.851 40 30 JKEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409325335 570201952 /nfs/dbraw/zinc/20/19/52/570201952.db2.gz YBJWZKUAYGXSRR-AWEZNQCLSA-N 0 0 495.333 5.723 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccccc2C#N)o1 ZINC000409325505 570202005 /nfs/dbraw/zinc/20/20/05/570202005.db2.gz ZGNYAUZZEOZWQQ-UHFFFAOYSA-N 0 0 475.346 5.515 40 30 JKEBRN COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)c(C)c1 ZINC000409325646 570202042 /nfs/dbraw/zinc/20/20/42/570202042.db2.gz ZEQICLSTRQXPHY-UHFFFAOYSA-N 0 0 454.368 5.406 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N2CCCC2)c(C)c1 ZINC000409326776 570202248 /nfs/dbraw/zinc/20/22/48/570202248.db2.gz NZUAOYLVQOIXDL-UHFFFAOYSA-N 0 0 467.411 5.292 40 30 JKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccc(C)c(C)c1 ZINC000409326592 570202313 /nfs/dbraw/zinc/20/23/13/570202313.db2.gz MDWGOGBFTMSFCC-MRXNPFEDSA-N 0 0 477.406 5.962 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C(C)C)c(OCC)cc1C ZINC000409326510 570202321 /nfs/dbraw/zinc/20/23/21/570202321.db2.gz LIOAAFWHUIDUQG-UHFFFAOYSA-N 0 0 470.411 5.824 40 30 JKEBRN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1 ZINC000408563873 570202328 /nfs/dbraw/zinc/20/23/28/570202328.db2.gz RHCYVMJKBSJNGW-KRWDZBQOSA-N 0 0 482.783 5.420 40 30 JKEBRN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1 ZINC000408563875 570202419 /nfs/dbraw/zinc/20/24/19/570202419.db2.gz RHCYVMJKBSJNGW-QGZVFWFLSA-N 0 0 482.783 5.420 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000409327074 570202434 /nfs/dbraw/zinc/20/24/34/570202434.db2.gz HNSYOTYOQPRRQG-PDGQHHTCSA-N 0 0 494.407 5.958 40 30 JKEBRN C=CCn1c(C)c(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)c2ccccc21 ZINC000409326782 570202445 /nfs/dbraw/zinc/20/24/45/570202445.db2.gz ODKJPONCABCBAM-UHFFFAOYSA-N 0 0 463.379 5.443 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000409327425 570202491 /nfs/dbraw/zinc/20/24/91/570202491.db2.gz TUKKCZPENOJZMP-UHFFFAOYSA-N 0 0 470.370 6.300 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc(C)ccn2)c1C ZINC000409327439 570202556 /nfs/dbraw/zinc/20/25/56/570202556.db2.gz TZJRDNUOFADTFW-UHFFFAOYSA-N 0 0 492.421 5.495 40 30 JKEBRN CCOc1cc(C=NN2C(=O)CSC2=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000409327738 570202642 /nfs/dbraw/zinc/20/26/42/570202642.db2.gz MDYFORWNLJJTPN-AFPJDJCSSA-N 0 0 455.388 5.165 40 30 JKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000409327811 570202683 /nfs/dbraw/zinc/20/26/83/570202683.db2.gz NJLABQOPXUTHCS-UYRXBGFRSA-N 0 0 490.444 6.127 40 30 JKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC ZINC000409328039 570202708 /nfs/dbraw/zinc/20/27/08/570202708.db2.gz YHSPHNCYAPKLKU-UHFFFAOYSA-N 0 0 493.199 5.155 40 30 JKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OC)c2)SC1=S ZINC000409328894 570203187 /nfs/dbraw/zinc/20/31/87/570203187.db2.gz BZMBDIHSFRFAJQ-HYARGMPZSA-N 0 0 482.627 5.223 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=S)N(CC=C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409329004 570203234 /nfs/dbraw/zinc/20/32/34/570203234.db2.gz BVXKFIMKJMMTQW-KGENOOAVSA-N 0 0 472.031 6.043 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1OCC ZINC000409329312 570203346 /nfs/dbraw/zinc/20/33/46/570203346.db2.gz DNEGRSVUOLIMPO-MOSHPQCFSA-N 0 0 470.572 5.527 40 30 JKEBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC#N ZINC000409329789 570203622 /nfs/dbraw/zinc/20/36/22/570203622.db2.gz IHKLYEXWVVRASW-PDGQHHTCSA-N 0 0 475.389 5.156 40 30 JKEBRN C=CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565924 570203618 /nfs/dbraw/zinc/20/36/18/570203618.db2.gz DGDBZWXAOKEXRA-HXUWFJFHSA-N 0 0 489.395 5.322 40 30 JKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(OC)c1OC ZINC000409330159 570203822 /nfs/dbraw/zinc/20/38/22/570203822.db2.gz JRDKHCRBBBVAMF-VCHYOVAHSA-N 0 0 466.411 6.145 40 30 JKEBRN Cc1oc(/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c(C#N)c1C ZINC000408566912 570203893 /nfs/dbraw/zinc/20/38/93/570203893.db2.gz JCXFRYAPPISDOZ-RPPGKUMJSA-N 0 0 479.321 6.126 40 30 JKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 ZINC000409330618 570203979 /nfs/dbraw/zinc/20/39/79/570203979.db2.gz BWOHVBDVCVYOHU-UHFFFAOYSA-N 0 0 487.354 5.079 40 30 JKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OCC)c1OCC ZINC000409330732 570204084 /nfs/dbraw/zinc/20/40/84/570204084.db2.gz LRHWDINODFKTSS-JCMHNJIXSA-N 0 0 453.629 6.235 40 30 JKEBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1ccccc1 ZINC000408569616 570204485 /nfs/dbraw/zinc/20/44/85/570204485.db2.gz JWEYSQNWFKZJNI-XMMPIXPASA-N 0 0 471.542 5.137 40 30 JKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OCC)cc2)cc1OCC ZINC000408571289 570204689 /nfs/dbraw/zinc/20/46/89/570204689.db2.gz OGULEKDBPYDYAB-QHCPKHFHSA-N 0 0 484.578 5.048 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OCC)c2)SC1=S ZINC000408571622 570204801 /nfs/dbraw/zinc/20/48/01/570204801.db2.gz BYLGLSVFZPEGFR-STZFKDTASA-N 0 0 482.627 5.107 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000408572087 570204901 /nfs/dbraw/zinc/20/49/01/570204901.db2.gz FESPYJBQTNMEKB-MOSHPQCFSA-N 0 0 489.018 5.143 40 30 JKEBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2C#N)n1-c1ccc(C)c(C)c1 ZINC000408572494 570204940 /nfs/dbraw/zinc/20/49/40/570204940.db2.gz RIPJEOBFPYUZLO-SANMLTNESA-N 0 0 499.596 5.753 40 30 JKEBRN C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408572482 570204980 /nfs/dbraw/zinc/20/49/80/570204980.db2.gz RHBIDKKYPCOINL-HXUWFJFHSA-N 0 0 492.960 5.442 40 30 JKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)SC1=S ZINC000408573759 570205245 /nfs/dbraw/zinc/20/52/45/570205245.db2.gz KISFESXJLFEKJX-NDENLUEZSA-N 0 0 473.019 5.362 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408574891 570205543 /nfs/dbraw/zinc/20/55/43/570205543.db2.gz FSLRAMICWOAXPS-UHFFFAOYSA-N 0 0 496.346 5.872 40 30 JKEBRN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408575220 570205646 /nfs/dbraw/zinc/20/56/46/570205646.db2.gz HKIOEILNTCIFSB-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Cl)Nc1ccccc1Cl ZINC000408575985 570205771 /nfs/dbraw/zinc/20/57/71/570205771.db2.gz PMNRESLOTOOTAV-UHFFFAOYSA-N 0 0 452.293 5.474 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000408576084 570205787 /nfs/dbraw/zinc/20/57/87/570205787.db2.gz RGLCUPUXTQNMEP-UHFFFAOYSA-N 0 0 455.510 5.182 40 30 JKEBRN O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408576022 570205798 /nfs/dbraw/zinc/20/57/98/570205798.db2.gz QIOBUGLYSAGJAO-UHFFFAOYSA-N 0 0 451.400 5.186 40 30 JKEBRN Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000408576141 570205826 /nfs/dbraw/zinc/20/58/26/570205826.db2.gz RWAWIQGTMVFPLW-UHFFFAOYSA-N 0 0 490.353 5.546 40 30 JKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1CC ZINC000408576654 570205942 /nfs/dbraw/zinc/20/59/42/570205942.db2.gz YJZUCZJPDWQLOK-UHFFFAOYSA-N 0 0 455.510 5.128 40 30 JKEBRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000408576684 570205988 /nfs/dbraw/zinc/20/59/88/570205988.db2.gz YPFPXOJHEVFFMP-UHFFFAOYSA-N 0 0 490.353 5.546 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Cc4ccccc4)[nH]3)sc2C1 ZINC000408580593 570206642 /nfs/dbraw/zinc/20/66/42/570206642.db2.gz CVVHUGYIRDRKAL-QGZVFWFLSA-N 0 0 479.675 5.601 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C)n3)CCC4)sc2C1 ZINC000408581180 570206730 /nfs/dbraw/zinc/20/67/30/570206730.db2.gz HGKWHNUWOSTQRY-OAHLLOKOSA-N 0 0 454.665 5.479 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccn4)o3)sc2C1 ZINC000408581131 570206737 /nfs/dbraw/zinc/20/67/37/570206737.db2.gz GJUNUXWFLBCLAA-AWEZNQCLSA-N 0 0 467.620 5.337 40 30 JKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(C(F)(F)F)n3)sc2C1 ZINC000408582001 570206893 /nfs/dbraw/zinc/20/68/93/570206893.db2.gz KVAMOYXKXYNJGZ-CYBMUJFWSA-N 0 0 482.597 6.009 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)c4c(n3)CCCC4)sc2C1 ZINC000408582018 570206902 /nfs/dbraw/zinc/20/69/02/570206902.db2.gz LCHKOPIWCHBYAX-INIZCTEOSA-N 0 0 468.692 5.869 40 30 JKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Cc4ccccc4)o3)sc2C1 ZINC000408582665 570207123 /nfs/dbraw/zinc/20/71/23/570207123.db2.gz OQMMJOSDJVSVKH-KRWDZBQOSA-N 0 0 480.659 5.865 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408587800 570208428 /nfs/dbraw/zinc/20/84/28/570208428.db2.gz AGWLIDGOVPBMKK-LGJNPRDNSA-N 0 0 496.317 5.367 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2)c(I)c1 ZINC000408587988 570208482 /nfs/dbraw/zinc/20/84/82/570208482.db2.gz AUXQQIUEHFJENR-AFUMVMLFSA-N 0 0 468.294 5.293 40 30 JKEBRN N#Cc1ccccc1COc1ccc(Br)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 ZINC000408588563 570208567 /nfs/dbraw/zinc/20/85/67/570208567.db2.gz BVVIZWJQBNIRTO-DHRITJCHSA-N 0 0 466.291 5.359 40 30 JKEBRN Cc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000408589209 570208713 /nfs/dbraw/zinc/20/87/13/570208713.db2.gz LACAHKNVGVRCFJ-HOZGZQRPSA-N 0 0 489.550 5.459 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)c(Br)cc1OCc1ccccc1Cl ZINC000408589745 570208911 /nfs/dbraw/zinc/20/89/11/570208911.db2.gz FVVLPNJEIHGYDB-UVHMKAGCSA-N 0 0 485.765 6.112 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408590222 570208913 /nfs/dbraw/zinc/20/89/13/570208913.db2.gz GVRWFUJSRPECTN-MUFRIFMGSA-N 0 0 471.354 6.604 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1cc(Cl)ccc1C ZINC000408590218 570208920 /nfs/dbraw/zinc/20/89/20/570208920.db2.gz ODKCBFQETNWGQZ-ALQBTCKLSA-N 0 0 490.006 8.605 40 30 JKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408590130 570208964 /nfs/dbraw/zinc/20/89/64/570208964.db2.gz GEZCOCLBZGYUHJ-CVKSISIWSA-N 0 0 457.442 5.786 40 30 JKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000408590512 570208973 /nfs/dbraw/zinc/20/89/73/570208973.db2.gz PGACAHBQBJEECP-QXUDOOCXSA-N 0 0 494.554 7.990 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 ZINC000408590762 570209096 /nfs/dbraw/zinc/20/90/96/570209096.db2.gz HUMCRRRKLQDAFG-WYMPLXKRSA-N 0 0 459.271 5.626 40 30 JKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408590864 570209116 /nfs/dbraw/zinc/20/91/16/570209116.db2.gz INKSXPDZJNIBSO-UVHMKAGCSA-N 0 0 468.340 6.764 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OCc1ccccc1F ZINC000408590841 570209126 /nfs/dbraw/zinc/20/91/26/570209126.db2.gz IHNAUKCIHRARBZ-UVHMKAGCSA-N 0 0 469.310 5.598 40 30 JKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccccc1I ZINC000408591866 570209312 /nfs/dbraw/zinc/20/93/12/570209312.db2.gz VSWKPUCJZXZTCH-WSDLNYQXSA-N 0 0 472.355 5.754 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408591779 570209316 /nfs/dbraw/zinc/20/93/16/570209316.db2.gz KMLBRLQIMPSABL-KVSWJAHQSA-N 0 0 475.759 6.657 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)c1 ZINC000408592160 570209348 /nfs/dbraw/zinc/20/93/48/570209348.db2.gz LHLVESABEPSRGP-JFLMPSFJSA-N 0 0 491.341 6.640 40 30 JKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1cccc2ccccc21 ZINC000408592584 570209496 /nfs/dbraw/zinc/20/94/96/570209496.db2.gz ZMTHZNCYROINNY-HPNXWYHWSA-N 0 0 491.594 8.797 40 30 JKEBRN COc1cc(/C=N/OCc2ccccc2C#N)c(Br)cc1OCc1ccc(C)cc1 ZINC000408592752 570209574 /nfs/dbraw/zinc/20/95/74/570209574.db2.gz NSIXVMDGWWHLIY-MZJWZYIUSA-N 0 0 465.347 5.768 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2ccccc2F)c1 ZINC000408593085 570209644 /nfs/dbraw/zinc/20/96/44/570209644.db2.gz OWHJLICQNLVVPF-WYMPLXKRSA-N 0 0 459.271 5.626 40 30 JKEBRN Cc1ccc(COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408593482 570209744 /nfs/dbraw/zinc/20/97/44/570209744.db2.gz PVEWHPNXDMEKQK-ZMOGYAJESA-N 0 0 455.308 5.795 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 ZINC000408593394 570209770 /nfs/dbraw/zinc/20/97/70/570209770.db2.gz PMMOWXRWMNVMEX-KKMKTNMSSA-N 0 0 473.729 6.243 40 30 JKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408593427 570209783 /nfs/dbraw/zinc/20/97/83/570209783.db2.gz POIWJGUGCPQPAW-OGLMXYFKSA-N 0 0 460.530 6.160 40 30 JKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000408593490 570209795 /nfs/dbraw/zinc/20/97/95/570209795.db2.gz PYMSWGJWHHTMDJ-KKMKTNMSSA-N 0 0 490.184 6.757 40 30 JKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000408593359 570209801 /nfs/dbraw/zinc/20/98/01/570209801.db2.gz PJOUWWANKRGDBA-WYMPLXKRSA-N 0 0 459.271 5.626 40 30 JKEBRN