smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCc1cc2ccccc2[nH]1)c1c[n-]c2ccccc2c1=O ZINC000159522160 239030898 /nfs/dbraw/zinc/03/08/98/239030898.db2.gz BAXQYRGLYVISJH-UHFFFAOYSA-N -1 3 331.375 2.982 20 70 EFIDHM Cc1ccccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216736706 241208745 /nfs/dbraw/zinc/20/87/45/241208745.db2.gz STRCSPXRKVASNL-UHFFFAOYSA-N -1 3 328.334 2.526 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)c[n-]c12 ZINC000159386741 206243357 /nfs/dbraw/zinc/24/33/57/206243357.db2.gz WCHQSKKHPYBLNH-BBRMVZONSA-N -1 3 344.386 2.663 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)c[n-]c12 ZINC000159386861 206242275 /nfs/dbraw/zinc/24/22/75/206242275.db2.gz WCHQSKKHPYBLNH-CZUORRHYSA-N -1 3 344.386 2.663 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159880688 206268461 /nfs/dbraw/zinc/26/84/61/206268461.db2.gz RZAYOOZVWAOTFF-MRVPVSSYSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000159898701 206270318 /nfs/dbraw/zinc/27/03/18/206270318.db2.gz BSUZUUWTIGFABS-QMMMGPOBSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000159898597 206270742 /nfs/dbraw/zinc/27/07/42/206270742.db2.gz BSUZUUWTIGFABS-MRVPVSSYSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(C(C)C)nc1 ZINC000160130404 206280151 /nfs/dbraw/zinc/28/01/51/206280151.db2.gz CIEAQHGSXRKODS-UHFFFAOYSA-N -1 3 328.397 2.669 20 70 EFIDHM CCOCCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCC1 ZINC000160150227 206282370 /nfs/dbraw/zinc/28/23/70/206282370.db2.gz LCGAGJXEEAGMMZ-UHFFFAOYSA-N -1 3 328.412 2.855 20 70 EFIDHM Cc1nn2c(nnc2SCCCSCc2ccccc2)[n-]c1=O ZINC000160134041 206281243 /nfs/dbraw/zinc/28/12/43/206281243.db2.gz OHINAHPSTKFLGJ-UHFFFAOYSA-N -1 3 347.469 2.949 20 70 EFIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000160300648 206290448 /nfs/dbraw/zinc/29/04/48/206290448.db2.gz VWAJAHNRJMQYHL-QMMMGPOBSA-N -1 3 342.244 2.705 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000160938460 206319744 /nfs/dbraw/zinc/31/97/44/206319744.db2.gz FRPQIYUTXOPDLJ-HNNXBMFYSA-N -1 3 333.819 2.972 20 70 EFIDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000161460295 206349886 /nfs/dbraw/zinc/34/98/86/206349886.db2.gz NWPQOLXPHLNTLA-RNFRBKRXSA-N -1 3 332.232 2.844 20 70 EFIDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000161460295 206349888 /nfs/dbraw/zinc/34/98/88/206349888.db2.gz NWPQOLXPHLNTLA-RNFRBKRXSA-N -1 3 332.232 2.844 20 70 EFIDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000161460200 206350072 /nfs/dbraw/zinc/35/00/72/206350072.db2.gz NWPQOLXPHLNTLA-NKWVEPMBSA-N -1 3 332.232 2.844 20 70 EFIDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000161460200 206350075 /nfs/dbraw/zinc/35/00/75/206350075.db2.gz NWPQOLXPHLNTLA-NKWVEPMBSA-N -1 3 332.232 2.844 20 70 EFIDHM COc1ccsc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000160081256 533101782 /nfs/dbraw/zinc/10/17/82/533101782.db2.gz NFUQOSWNTUELJG-UHFFFAOYSA-N -1 3 347.845 2.767 20 70 EFIDHM O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)[N-]OCc1cccnc1 ZINC000160715945 310701999 /nfs/dbraw/zinc/70/19/99/310701999.db2.gz JYMWLVUPYZOXKB-ONEGZZNKSA-N -1 3 332.743 2.725 20 70 EFIDHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccc(F)cc1 ZINC000161103797 473207170 /nfs/dbraw/zinc/20/71/70/473207170.db2.gz FVLBPLKSBYMCPQ-NSHDSACASA-N -1 3 340.354 2.933 20 70 EFIDHM CCn1c(=O)c2cc(F)ccc2nc1SCc1cc(=O)c([O-])co1 ZINC000159621371 473045564 /nfs/dbraw/zinc/04/55/64/473045564.db2.gz SRZIQZLBDLKGAQ-UHFFFAOYSA-N -1 3 348.355 2.507 20 70 EFIDHM CCc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000159720012 473055161 /nfs/dbraw/zinc/05/51/61/473055161.db2.gz PERYDRHMDABINU-UHFFFAOYSA-N -1 3 332.425 2.802 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCC(=O)N4)[n-]2)o1 ZINC000160239307 473099433 /nfs/dbraw/zinc/09/94/33/473099433.db2.gz COBTZFAEPCUKRS-UHFFFAOYSA-N -1 3 337.339 2.510 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)CCC(=O)N4)n2)o1 ZINC000160239307 473099442 /nfs/dbraw/zinc/09/94/42/473099442.db2.gz COBTZFAEPCUKRS-UHFFFAOYSA-N -1 3 337.339 2.510 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4)n[n-]2)o1 ZINC000160239307 473099445 /nfs/dbraw/zinc/09/94/45/473099445.db2.gz COBTZFAEPCUKRS-UHFFFAOYSA-N -1 3 337.339 2.510 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)cn3)[n-]2)o1 ZINC000160247498 473101179 /nfs/dbraw/zinc/10/11/79/473101179.db2.gz KEHXUMBKZWWNPI-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Br)cn3)n2)o1 ZINC000160247498 473101183 /nfs/dbraw/zinc/10/11/83/473101183.db2.gz KEHXUMBKZWWNPI-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cn3)n[n-]2)o1 ZINC000160247498 473101188 /nfs/dbraw/zinc/10/11/88/473101188.db2.gz KEHXUMBKZWWNPI-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CCCc3nc(C4CC4)no3)[n-]2)o1 ZINC000160262944 473102745 /nfs/dbraw/zinc/10/27/45/473102745.db2.gz IEYGCICHCCSHFO-UHFFFAOYSA-N -1 3 342.359 2.595 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCc3nc(C4CC4)no3)n2)o1 ZINC000160262944 473102753 /nfs/dbraw/zinc/10/27/53/473102753.db2.gz IEYGCICHCCSHFO-UHFFFAOYSA-N -1 3 342.359 2.595 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CCCc3nc(C4CC4)no3)n[n-]2)o1 ZINC000160262944 473102759 /nfs/dbraw/zinc/10/27/59/473102759.db2.gz IEYGCICHCCSHFO-UHFFFAOYSA-N -1 3 342.359 2.595 20 70 EFIDHM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000160684076 473161093 /nfs/dbraw/zinc/16/10/93/473161093.db2.gz MHEQQZZRKYZNFJ-GOSISDBHSA-N -1 3 339.439 2.910 20 70 EFIDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCn2ccnc2C1 ZINC000160739186 473168329 /nfs/dbraw/zinc/16/83/29/473168329.db2.gz QLZGEHXNDHMGKQ-VIFPVBQESA-N -1 3 325.290 2.809 20 70 EFIDHM CCC(CC)n1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1C ZINC000160812300 473177780 /nfs/dbraw/zinc/17/77/80/473177780.db2.gz VZGJGDXAPWWZQA-UHFFFAOYSA-N -1 3 330.314 2.942 20 70 EFIDHM CCC(CC)n1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1C ZINC000160812300 473177783 /nfs/dbraw/zinc/17/77/83/473177783.db2.gz VZGJGDXAPWWZQA-UHFFFAOYSA-N -1 3 330.314 2.942 20 70 EFIDHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3c(C)cccc3F)cc21 ZINC000160828968 473179870 /nfs/dbraw/zinc/17/98/70/473179870.db2.gz FTLLBBSTDQLDEO-UHFFFAOYSA-N -1 3 348.399 2.844 20 70 EFIDHM O=C(Cc1cccc(Br)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160859516 473184321 /nfs/dbraw/zinc/18/43/21/473184321.db2.gz XEEBURVGIRKHRN-UHFFFAOYSA-N -1 3 349.110 2.767 20 70 EFIDHM O=C(Cc1cccc(Br)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160859516 473184326 /nfs/dbraw/zinc/18/43/26/473184326.db2.gz XEEBURVGIRKHRN-UHFFFAOYSA-N -1 3 349.110 2.767 20 70 EFIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cn1C ZINC000161053008 473202992 /nfs/dbraw/zinc/20/29/92/473202992.db2.gz SYSYKTZAEOJIFG-UHFFFAOYSA-N -1 3 342.804 2.574 20 70 EFIDHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000159782648 533349301 /nfs/dbraw/zinc/34/93/01/533349301.db2.gz DWCYAAYLXZWCDD-WMLDXEAASA-N -1 3 347.436 2.624 20 70 EFIDHM COc1cccc(OCCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000159580413 533655445 /nfs/dbraw/zinc/65/54/45/533655445.db2.gz NKGQAFDWQNASJJ-UHFFFAOYSA-N -1 3 327.427 2.504 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000159869477 225294042 /nfs/dbraw/zinc/29/40/42/225294042.db2.gz OFVOTTNURSBBOA-SNVBAGLBSA-N -1 3 326.393 2.648 20 70 EFIDHM CC(C)Cn1cnc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c1 ZINC000159404175 544794690 /nfs/dbraw/zinc/79/46/90/544794690.db2.gz VHEGUTPCKVOEFG-UHFFFAOYSA-N -1 3 343.493 2.554 20 70 EFIDHM O=C(CCc1nc(C2CCCC2)no1)NCc1ccc([O-])c(F)c1 ZINC000161020627 473199920 /nfs/dbraw/zinc/19/99/20/473199920.db2.gz BNZZXXMWGZJETQ-UHFFFAOYSA-N -1 3 333.363 2.821 20 70 EFIDHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCn2ccnc2C1 ZINC000159869013 473067713 /nfs/dbraw/zinc/06/77/13/473067713.db2.gz SLLXDOJLSUZFMN-VIFPVBQESA-N -1 3 336.189 2.552 20 70 EFIDHM COc1ccc(-c2nc(NC(=O)c3cc(Cl)c[nH]3)n[n-]2)c(OC)c1 ZINC000160124997 473090298 /nfs/dbraw/zinc/09/02/98/473090298.db2.gz SDIRVICCQAPMKE-UHFFFAOYSA-N -1 3 347.762 2.723 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CSCc3cccnc3)[n-]2)o1 ZINC000160195853 473094770 /nfs/dbraw/zinc/09/47/70/473094770.db2.gz OHYXPYGNUYYLBL-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSCc3cccnc3)n2)o1 ZINC000160195853 473094780 /nfs/dbraw/zinc/09/47/80/473094780.db2.gz OHYXPYGNUYYLBL-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CSCc3cccnc3)n[n-]2)o1 ZINC000160195853 473094787 /nfs/dbraw/zinc/09/47/87/473094787.db2.gz OHYXPYGNUYYLBL-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM CCc1noc(CC)c1CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160242730 473100122 /nfs/dbraw/zinc/10/01/22/473100122.db2.gz MVDSCAXMOCGXOE-UHFFFAOYSA-N -1 3 329.360 2.667 20 70 EFIDHM CCc1noc(CC)c1CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160242730 473100129 /nfs/dbraw/zinc/10/01/29/473100129.db2.gz MVDSCAXMOCGXOE-UHFFFAOYSA-N -1 3 329.360 2.667 20 70 EFIDHM CCc1noc(CC)c1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160242730 473100140 /nfs/dbraw/zinc/10/01/40/473100140.db2.gz MVDSCAXMOCGXOE-UHFFFAOYSA-N -1 3 329.360 2.667 20 70 EFIDHM COC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160250473 473100322 /nfs/dbraw/zinc/10/03/22/473100322.db2.gz ZRCNZVXMKRXJNB-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM COC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160250473 473100329 /nfs/dbraw/zinc/10/03/29/473100329.db2.gz ZRCNZVXMKRXJNB-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM COC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160250473 473100335 /nfs/dbraw/zinc/10/03/35/473100335.db2.gz ZRCNZVXMKRXJNB-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM COC(=O)c1cccc(CNC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000160391957 473116527 /nfs/dbraw/zinc/11/65/27/473116527.db2.gz PQQQVBCVCIDDHI-UHFFFAOYSA-N -1 3 333.771 2.691 20 70 EFIDHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccccc2O[C@@H]2CCOC2)on1 ZINC000159941367 533988645 /nfs/dbraw/zinc/98/86/45/533988645.db2.gz PBYINMFAXNQKBI-QWHCGFSZSA-N -1 3 331.372 2.590 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000159866208 527017944 /nfs/dbraw/zinc/01/79/44/527017944.db2.gz LKCCINMFBMWDAL-AWEZNQCLSA-N -1 3 332.400 2.572 20 70 EFIDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000160280648 529398750 /nfs/dbraw/zinc/39/87/50/529398750.db2.gz JXQJPEAGZGTQSV-SECBINFHSA-N -1 3 329.315 2.548 20 70 EFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000160285443 529512623 /nfs/dbraw/zinc/51/26/23/529512623.db2.gz MTKGZMHRBKMWPA-GFCCVEGCSA-N -1 3 326.245 2.574 20 70 EFIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000160280528 529520163 /nfs/dbraw/zinc/52/01/63/529520163.db2.gz JXQJPEAGZGTQSV-VIFPVBQESA-N -1 3 329.315 2.548 20 70 EFIDHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc2ccccc2cc1[O-] ZINC000161366992 239070400 /nfs/dbraw/zinc/07/04/00/239070400.db2.gz XHPVQLWAQYOXOE-INIZCTEOSA-N -1 3 333.391 2.949 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000159904236 225300351 /nfs/dbraw/zinc/30/03/51/225300351.db2.gz HOPGGOWYIIEJPY-ZETCQYMHSA-N -1 3 334.850 2.916 20 70 EFIDHM C[C@@H](O)CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000159916965 225302016 /nfs/dbraw/zinc/30/20/16/225302016.db2.gz LKQZJUMPMPTBCB-CQSZACIVSA-N -1 3 329.396 2.814 20 70 EFIDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000160682042 225451823 /nfs/dbraw/zinc/45/18/23/225451823.db2.gz GWGAUPJHMLVNSN-BLLLJJGKSA-N -1 3 347.427 2.980 20 70 EFIDHM CC(C)c1nc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c[nH]1 ZINC000160060320 544801586 /nfs/dbraw/zinc/80/15/86/544801586.db2.gz CBTDJYBKNZDRLQ-UHFFFAOYSA-N -1 3 343.836 2.544 20 70 EFIDHM COc1ccc(Br)c(CC(=O)Nc2ncccc2[O-])c1 ZINC000159665599 310689823 /nfs/dbraw/zinc/68/98/23/310689823.db2.gz SVCSZQNQSCAYBP-UHFFFAOYSA-N -1 3 337.173 2.740 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000159684299 310690138 /nfs/dbraw/zinc/69/01/38/310690138.db2.gz VQLLZOXZTIKQMR-UHFFFAOYSA-N -1 3 337.379 2.804 20 70 EFIDHM CN(C)c1nc2ccc([N-]S(=O)(=O)Cc3cccc(F)c3)cc2o1 ZINC000161021510 473199882 /nfs/dbraw/zinc/19/98/82/473199882.db2.gz JCNGRHLZFPJPIH-UHFFFAOYSA-N -1 3 349.387 2.975 20 70 EFIDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1cncc(F)c1 ZINC000159494857 473033039 /nfs/dbraw/zinc/03/30/39/473033039.db2.gz HJYKCEXTEBFONS-UHFFFAOYSA-N -1 3 335.335 2.519 20 70 EFIDHM Cc1ccc2cc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)ccc2n1 ZINC000159603453 473042753 /nfs/dbraw/zinc/04/27/53/473042753.db2.gz ANGJHIRXEFXYAI-UHFFFAOYSA-N -1 3 330.351 2.976 20 70 EFIDHM Cc1ccc2cc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)ccc2n1 ZINC000159603453 473042762 /nfs/dbraw/zinc/04/27/62/473042762.db2.gz ANGJHIRXEFXYAI-UHFFFAOYSA-N -1 3 330.351 2.976 20 70 EFIDHM Cc1ccc2cc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)ccc2n1 ZINC000159603453 473042767 /nfs/dbraw/zinc/04/27/67/473042767.db2.gz ANGJHIRXEFXYAI-UHFFFAOYSA-N -1 3 330.351 2.976 20 70 EFIDHM CC[C@@H](C)c1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)on1 ZINC000159723239 473055220 /nfs/dbraw/zinc/05/52/20/473055220.db2.gz CRIKYVLFQCSZKN-SNVBAGLBSA-N -1 3 337.401 2.812 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4ccnc4)cc3)[n-]2)o1 ZINC000160200122 473097069 /nfs/dbraw/zinc/09/70/69/473097069.db2.gz RHNLFCYBOHDJCH-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-n4ccnc4)cc3)n2)o1 ZINC000160200122 473097074 /nfs/dbraw/zinc/09/70/74/473097074.db2.gz RHNLFCYBOHDJCH-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)n[n-]2)o1 ZINC000160200122 473097082 /nfs/dbraw/zinc/09/70/82/473097082.db2.gz RHNLFCYBOHDJCH-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(Br)c[nH]3)[n-]2)o1 ZINC000160269275 473103230 /nfs/dbraw/zinc/10/32/30/473103230.db2.gz JGYFHDFAODDCBB-UHFFFAOYSA-N -1 3 336.149 2.716 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(Br)c[nH]3)n2)o1 ZINC000160269275 473103234 /nfs/dbraw/zinc/10/32/34/473103234.db2.gz JGYFHDFAODDCBB-UHFFFAOYSA-N -1 3 336.149 2.716 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(Br)c[nH]3)n[n-]2)o1 ZINC000160269275 473103239 /nfs/dbraw/zinc/10/32/39/473103239.db2.gz JGYFHDFAODDCBB-UHFFFAOYSA-N -1 3 336.149 2.716 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)OCc3ccccc3)[n-]2)o1 ZINC000160303172 473104872 /nfs/dbraw/zinc/10/48/72/473104872.db2.gz CMNHISULBJXZRK-LBPRGKRZSA-N -1 3 326.356 2.917 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)OCc3ccccc3)n2)o1 ZINC000160303172 473104877 /nfs/dbraw/zinc/10/48/77/473104877.db2.gz CMNHISULBJXZRK-LBPRGKRZSA-N -1 3 326.356 2.917 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)OCc3ccccc3)n[n-]2)o1 ZINC000160303172 473104882 /nfs/dbraw/zinc/10/48/82/473104882.db2.gz CMNHISULBJXZRK-LBPRGKRZSA-N -1 3 326.356 2.917 20 70 EFIDHM COc1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc(OC)c1[O-] ZINC000160286682 473105737 /nfs/dbraw/zinc/10/57/37/473105737.db2.gz HZFOSEXXHBTUFX-GXFFZTMASA-N -1 3 349.333 2.974 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)[n-]2)o1 ZINC000160369343 473113798 /nfs/dbraw/zinc/11/37/98/473113798.db2.gz LKUZGVQZONFDFQ-UHFFFAOYSA-N -1 3 349.354 2.719 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)n2)o1 ZINC000160369343 473113804 /nfs/dbraw/zinc/11/38/04/473113804.db2.gz LKUZGVQZONFDFQ-UHFFFAOYSA-N -1 3 349.354 2.719 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4n[nH]c(C)n4)cc3)n[n-]2)o1 ZINC000160369343 473113811 /nfs/dbraw/zinc/11/38/11/473113811.db2.gz LKUZGVQZONFDFQ-UHFFFAOYSA-N -1 3 349.354 2.719 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@@H](C4CC4)C3)nc2)n1 ZINC000160402108 473117964 /nfs/dbraw/zinc/11/79/64/473117964.db2.gz VENYRHKPQUZXEE-JKSUJKDBSA-N -1 3 340.427 2.764 20 70 EFIDHM COc1ccccc1CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160418856 473121560 /nfs/dbraw/zinc/12/15/60/473121560.db2.gz WFECOYUQJZSLMG-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM COc1ccccc1CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160418856 473121566 /nfs/dbraw/zinc/12/15/66/473121566.db2.gz WFECOYUQJZSLMG-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM COc1ccccc1CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160418856 473121574 /nfs/dbraw/zinc/12/15/74/473121574.db2.gz WFECOYUQJZSLMG-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)c3)[n-]2)o1 ZINC000160436748 473124766 /nfs/dbraw/zinc/12/47/66/473124766.db2.gz NNFMMBTVUVCFEI-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(-c4ccccc4)c3)n2)o1 ZINC000160436748 473124773 /nfs/dbraw/zinc/12/47/73/473124773.db2.gz NNFMMBTVUVCFEI-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3)n[n-]2)o1 ZINC000160436748 473124778 /nfs/dbraw/zinc/12/47/78/473124778.db2.gz NNFMMBTVUVCFEI-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCc3sccc32)c(=O)[n-]1 ZINC000160487300 473132903 /nfs/dbraw/zinc/13/29/03/473132903.db2.gz ONGSLUJOCGIVRJ-CQSZACIVSA-N -1 3 331.441 2.575 20 70 EFIDHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCc3sccc32)c(=O)[n-]1 ZINC000160487405 473133130 /nfs/dbraw/zinc/13/31/30/473133130.db2.gz ONGSLUJOCGIVRJ-AWEZNQCLSA-N -1 3 331.441 2.575 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@]3(C)CCCS3)c[n-]c12 ZINC000160508695 473134888 /nfs/dbraw/zinc/13/48/88/473134888.db2.gz KJJMZXAACAKMHF-KRWDZBQOSA-N -1 3 334.416 2.991 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000160710110 473164893 /nfs/dbraw/zinc/16/48/93/473164893.db2.gz LJDJSTSMXKMNEK-OAHLLOKOSA-N -1 3 346.427 2.962 20 70 EFIDHM CCOc1ccccc1OCCCC(=O)[N-]OCc1cccnc1 ZINC000160782817 473174471 /nfs/dbraw/zinc/17/44/71/473174471.db2.gz KSUVDXDAMQXBMF-UHFFFAOYSA-N -1 3 330.384 2.887 20 70 EFIDHM CCOc1ccc(C(=O)CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160831855 473180752 /nfs/dbraw/zinc/18/07/52/473180752.db2.gz PHGNHSAIBCTVTQ-UHFFFAOYSA-N -1 3 328.368 2.691 20 70 EFIDHM Cn1cnc2cc(C(=O)Nc3cc(Br)ccc3[O-])cnc21 ZINC000161001670 473198106 /nfs/dbraw/zinc/19/81/06/473198106.db2.gz ZAUSLDHEGWFMDI-UHFFFAOYSA-N -1 3 347.172 2.689 20 70 EFIDHM Cc1cc(Cl)cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000159635575 533767076 /nfs/dbraw/zinc/76/70/76/533767076.db2.gz KQUGXPDOYHRGHF-UHFFFAOYSA-N -1 3 332.787 2.514 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)c[n-]c12 ZINC000159386566 533845290 /nfs/dbraw/zinc/84/52/90/533845290.db2.gz WCHQSKKHPYBLNH-CJNGLKHVSA-N -1 3 344.386 2.663 20 70 EFIDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(O)c1 ZINC000160177682 533967037 /nfs/dbraw/zinc/96/70/37/533967037.db2.gz XSPBXMUKKRUGLB-QMMMGPOBSA-N -1 3 331.315 2.849 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[n-]2)o1 ZINC000160210364 534225180 /nfs/dbraw/zinc/22/51/80/534225180.db2.gz HVAYPTXVYZSQKT-VIFPVBQESA-N -1 3 342.403 2.541 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)n2)o1 ZINC000160210364 534225185 /nfs/dbraw/zinc/22/51/85/534225185.db2.gz HVAYPTXVYZSQKT-VIFPVBQESA-N -1 3 342.403 2.541 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)n[n-]2)o1 ZINC000160210364 534225192 /nfs/dbraw/zinc/22/51/92/534225192.db2.gz HVAYPTXVYZSQKT-VIFPVBQESA-N -1 3 342.403 2.541 20 70 EFIDHM CCCN(CCC)C(=O)CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160298620 528039552 /nfs/dbraw/zinc/03/95/52/528039552.db2.gz PRJQSDCLFAYNKB-UHFFFAOYSA-N -1 3 347.419 2.740 20 70 EFIDHM CCCN(CCC)C(=O)CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160298620 528039557 /nfs/dbraw/zinc/03/95/57/528039557.db2.gz PRJQSDCLFAYNKB-UHFFFAOYSA-N -1 3 347.419 2.740 20 70 EFIDHM CCCN(CCC)C(=O)CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160298620 528039563 /nfs/dbraw/zinc/03/95/63/528039563.db2.gz PRJQSDCLFAYNKB-UHFFFAOYSA-N -1 3 347.419 2.740 20 70 EFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000160294077 529512780 /nfs/dbraw/zinc/51/27/80/529512780.db2.gz RFJLDMASEOBXQE-CYBMUJFWSA-N -1 3 346.499 2.619 20 70 EFIDHM CCc1cc2c(CSCCN3CCOCC3)cc(=O)oc2cc1[O-] ZINC000159879990 529570675 /nfs/dbraw/zinc/57/06/75/529570675.db2.gz XRRLNJHTAVIKHE-UHFFFAOYSA-N -1 3 349.452 2.626 20 70 EFIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(c2cccs2)CC1 ZINC000160377749 273022133 /nfs/dbraw/zinc/02/21/33/273022133.db2.gz FJYPRNZWTGYLNP-UHFFFAOYSA-N -1 3 336.844 2.998 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](OCC(C)C)C3)c[n-]c12 ZINC000160929551 310704021 /nfs/dbraw/zinc/70/40/21/310704021.db2.gz FNLWXXQZHHGCHD-AWEZNQCLSA-N -1 3 346.402 2.863 20 70 EFIDHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccnc(C)c3)cc2F)c1 ZINC000160919135 310704213 /nfs/dbraw/zinc/70/42/13/310704213.db2.gz BNKSTMPSDDHDIS-UHFFFAOYSA-N -1 3 346.387 2.824 20 70 EFIDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1nc2ccccc2s1 ZINC000161096858 310705948 /nfs/dbraw/zinc/70/59/48/310705948.db2.gz UBMYHSLIJFWWMM-UHFFFAOYSA-N -1 3 347.421 2.920 20 70 EFIDHM COc1cc(C(=O)NCCCN(C)c2ccccc2)cc(OC)c1[O-] ZINC000161084420 473205241 /nfs/dbraw/zinc/20/52/41/473205241.db2.gz ODGZYNZVNVPPCB-UHFFFAOYSA-N -1 3 344.411 2.666 20 70 EFIDHM CCCCN(C)S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000161113655 473208598 /nfs/dbraw/zinc/20/85/98/473208598.db2.gz FIPJZLMPOLMQIR-UHFFFAOYSA-N -1 3 326.340 2.816 20 70 EFIDHM COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000161207000 473216917 /nfs/dbraw/zinc/21/69/17/473216917.db2.gz KYVOEUXIQMVCDI-UHFFFAOYSA-N -1 3 327.380 2.871 20 70 EFIDHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000161201064 473216982 /nfs/dbraw/zinc/21/69/82/473216982.db2.gz LLGSCNPUQSIUAL-UHFFFAOYSA-N -1 3 347.799 2.550 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CO)CC(C)(C)C)nc2)n1 ZINC000161416231 473233805 /nfs/dbraw/zinc/23/38/05/473233805.db2.gz UOFMZBKJZFNEKI-AWEZNQCLSA-N -1 3 330.432 2.603 20 70 EFIDHM Cn1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1=O ZINC000161385609 473232341 /nfs/dbraw/zinc/23/23/41/473232341.db2.gz CIMFATJXQBRPIR-UHFFFAOYSA-N -1 3 326.443 2.545 20 70 EFIDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000161460082 473237556 /nfs/dbraw/zinc/23/75/56/473237556.db2.gz NWPQOLXPHLNTLA-RQJHMYQMSA-N -1 3 332.232 2.844 20 70 EFIDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000161460082 473237560 /nfs/dbraw/zinc/23/75/60/473237560.db2.gz NWPQOLXPHLNTLA-RQJHMYQMSA-N -1 3 332.232 2.844 20 70 EFIDHM O=S(=O)([N-]Cc1ccncc1)c1ccc(F)cc1C(F)(F)F ZINC000159556162 473038601 /nfs/dbraw/zinc/03/86/01/473038601.db2.gz ZJHIZYSKYRXCPM-UHFFFAOYSA-N -1 3 334.294 2.718 20 70 EFIDHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cc(F)ccc1Cl ZINC000159579974 473042045 /nfs/dbraw/zinc/04/20/45/473042045.db2.gz MWPKMGHETSTHGE-ZDUSSCGKSA-N -1 3 335.828 2.699 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)[n-]2)o1 ZINC000160211340 473097224 /nfs/dbraw/zinc/09/72/24/473097224.db2.gz AZIYWKVGWNGQGM-OAHLLOKOSA-N -1 3 338.367 2.932 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)n2)o1 ZINC000160211340 473097229 /nfs/dbraw/zinc/09/72/29/473097229.db2.gz AZIYWKVGWNGQGM-OAHLLOKOSA-N -1 3 338.367 2.932 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)n[n-]2)o1 ZINC000160211340 473097235 /nfs/dbraw/zinc/09/72/35/473097235.db2.gz AZIYWKVGWNGQGM-OAHLLOKOSA-N -1 3 338.367 2.932 20 70 EFIDHM CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160344354 473110399 /nfs/dbraw/zinc/11/03/99/473110399.db2.gz LZLRJURTDPKCBC-UHFFFAOYSA-N -1 3 325.328 2.584 20 70 EFIDHM CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160344354 473110401 /nfs/dbraw/zinc/11/04/01/473110401.db2.gz LZLRJURTDPKCBC-UHFFFAOYSA-N -1 3 325.328 2.584 20 70 EFIDHM CC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160344354 473110408 /nfs/dbraw/zinc/11/04/08/473110408.db2.gz LZLRJURTDPKCBC-UHFFFAOYSA-N -1 3 325.328 2.584 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@H](C4CC4)C3)nc2)n1 ZINC000160401991 473118492 /nfs/dbraw/zinc/11/84/92/473118492.db2.gz VENYRHKPQUZXEE-HZPDHXFCSA-N -1 3 340.427 2.764 20 70 EFIDHM COc1cccc(OC)c1CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160423317 473120876 /nfs/dbraw/zinc/12/08/76/473120876.db2.gz CMVGVIUJTUWSKK-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM COc1cccc(OC)c1CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160423317 473120881 /nfs/dbraw/zinc/12/08/81/473120881.db2.gz CMVGVIUJTUWSKK-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM COc1cccc(OC)c1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160423317 473120891 /nfs/dbraw/zinc/12/08/91/473120891.db2.gz CMVGVIUJTUWSKK-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(-n4ccnc4)c3)[n-]2)o1 ZINC000160425964 473122462 /nfs/dbraw/zinc/12/24/62/473122462.db2.gz JHGDOLHVYFXZQE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(-n4ccnc4)c3)n2)o1 ZINC000160425964 473122471 /nfs/dbraw/zinc/12/24/71/473122471.db2.gz JHGDOLHVYFXZQE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(-n4ccnc4)c3)n[n-]2)o1 ZINC000160425964 473122479 /nfs/dbraw/zinc/12/24/79/473122479.db2.gz JHGDOLHVYFXZQE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM CCOc1ccc(OCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160432607 473124395 /nfs/dbraw/zinc/12/43/95/473124395.db2.gz KCLLMZXQMJQECT-UHFFFAOYSA-N -1 3 342.355 2.789 20 70 EFIDHM CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160432607 473124398 /nfs/dbraw/zinc/12/43/98/473124398.db2.gz KCLLMZXQMJQECT-UHFFFAOYSA-N -1 3 342.355 2.789 20 70 EFIDHM CCOc1ccc(OCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160432607 473124404 /nfs/dbraw/zinc/12/44/04/473124404.db2.gz KCLLMZXQMJQECT-UHFFFAOYSA-N -1 3 342.355 2.789 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2N2CCCC2)n1 ZINC000160588585 473147750 /nfs/dbraw/zinc/14/77/50/473147750.db2.gz OHLWVTCGGOIHBK-UHFFFAOYSA-N -1 3 326.444 2.977 20 70 EFIDHM CC(C)(C)c1nc(CCNC(=O)c2ccc3n[n-]nc3c2)cs1 ZINC000160620631 473152367 /nfs/dbraw/zinc/15/23/67/473152367.db2.gz IQKCPTRIMRHPLN-UHFFFAOYSA-N -1 3 329.429 2.684 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000160747189 473170092 /nfs/dbraw/zinc/17/00/92/473170092.db2.gz HYHYFBMSCOYSEJ-UHFFFAOYSA-N -1 3 334.416 2.770 20 70 EFIDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)[N-]OCc1cccnc1 ZINC000160858167 473183517 /nfs/dbraw/zinc/18/35/17/473183517.db2.gz IXRGMQJXWWWDBP-UHFFFAOYSA-N -1 3 330.432 2.732 20 70 EFIDHM CCC(CC)(CC)CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160920753 473191861 /nfs/dbraw/zinc/19/18/61/473191861.db2.gz 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/nfs/dbraw/zinc/15/43/17/473154317.db2.gz CGEVGMLKGQCMOB-UHFFFAOYSA-N -1 3 331.441 2.736 20 70 EFIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000160811127 473177589 /nfs/dbraw/zinc/17/75/89/473177589.db2.gz OOHOYKZFRCOJFS-UHFFFAOYSA-N -1 3 336.388 2.637 20 70 EFIDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1OC ZINC000160810083 473177674 /nfs/dbraw/zinc/17/76/74/473177674.db2.gz RWDNVIVJMHDXPS-UHFFFAOYSA-N -1 3 325.361 2.952 20 70 EFIDHM Cc1cc(Cl)cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000159551938 533768196 /nfs/dbraw/zinc/76/81/96/533768196.db2.gz RIXZQDDVHPWZCK-UHFFFAOYSA-N -1 3 335.791 2.548 20 70 EFIDHM CCC(CC)(CC)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160920646 528630514 /nfs/dbraw/zinc/63/05/14/528630514.db2.gz RSWSIOSKPOXYFY-GOSISDBHSA-N -1 3 345.443 2.687 20 70 EFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000160285316 529377911 /nfs/dbraw/zinc/37/79/11/529377911.db2.gz MTKGZMHRBKMWPA-LBPRGKRZSA-N -1 3 326.245 2.574 20 70 EFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000160342261 529378009 /nfs/dbraw/zinc/37/80/09/529378009.db2.gz BCNVDAVMSVYCQA-ZDUSSCGKSA-N -1 3 333.862 2.994 20 70 EFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000160342390 529512606 /nfs/dbraw/zinc/51/26/06/529512606.db2.gz BCNVDAVMSVYCQA-CYBMUJFWSA-N -1 3 333.862 2.994 20 70 EFIDHM CCc1cc2c(CN(C)C[C@H]3CCC[C@@H]3O)cc(=O)oc2cc1[O-] ZINC000159832593 529570527 /nfs/dbraw/zinc/57/05/27/529570527.db2.gz ZPGFNPMYSQVBTO-CJNGLKHVSA-N -1 3 331.412 2.654 20 70 EFIDHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000159782388 239035580 /nfs/dbraw/zinc/03/55/80/239035580.db2.gz DWCYAAYLXZWCDD-YOEHRIQHSA-N -1 3 347.436 2.624 20 70 EFIDHM Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000216725061 241206683 /nfs/dbraw/zinc/20/66/83/241206683.db2.gz NEVYWJPHBWNTAO-UHFFFAOYSA-N -1 3 328.334 2.526 20 70 EFIDHM O=C(C=C1CCCCC1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216742870 241208175 /nfs/dbraw/zinc/20/81/75/241208175.db2.gz 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544798733 /nfs/dbraw/zinc/79/87/33/544798733.db2.gz HZBARUZZVATALN-UHFFFAOYSA-N -1 3 335.766 2.542 20 70 EFIDHM O=S(=O)([N-]Cc1ccncc1)c1cc(C(F)(F)F)ccc1F ZINC000159567832 310688501 /nfs/dbraw/zinc/68/85/01/310688501.db2.gz LZAJYCLJXAFWKE-UHFFFAOYSA-N -1 3 334.294 2.718 20 70 EFIDHM CCOc1cc(/C=C/C(=O)[N-]OCc2cccnc2)ccc1OC ZINC000160770176 310702684 /nfs/dbraw/zinc/70/26/84/310702684.db2.gz OLERCOWWQOWVHQ-VQHVLOKHSA-N -1 3 328.368 2.750 20 70 EFIDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2cc(Cl)ccc2F)co1 ZINC000161116238 473208539 /nfs/dbraw/zinc/20/85/39/473208539.db2.gz XGUZJYNMWXYSPT-UHFFFAOYSA-N -1 3 346.767 2.575 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CO)CC(C)(C)C)nc2)n1 ZINC000161416328 473233773 /nfs/dbraw/zinc/23/37/73/473233773.db2.gz UOFMZBKJZFNEKI-CQSZACIVSA-N -1 3 330.432 2.603 20 70 EFIDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000161460541 473237333 /nfs/dbraw/zinc/23/73/33/473237333.db2.gz MICBYVPITYZTDQ-UHFFFAOYSA-N -1 3 336.705 2.586 20 70 EFIDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000161460541 473237337 /nfs/dbraw/zinc/23/73/37/473237337.db2.gz MICBYVPITYZTDQ-UHFFFAOYSA-N -1 3 336.705 2.586 20 70 EFIDHM COc1cc(C(=O)N2CCc3ccc(F)cc3C2)cc(OC)c1[O-] ZINC000161477285 473238290 /nfs/dbraw/zinc/23/82/90/473238290.db2.gz UPESJZFNOYCZNF-UHFFFAOYSA-N -1 3 331.343 2.747 20 70 EFIDHM CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000159483908 473031060 /nfs/dbraw/zinc/03/10/60/473031060.db2.gz YJPRLPDEOFTAJO-UHFFFAOYSA-N -1 3 339.335 2.563 20 70 EFIDHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1Cl ZINC000159576368 473040504 /nfs/dbraw/zinc/04/05/04/473040504.db2.gz IXQSSROYWFKABG-CYBMUJFWSA-N -1 3 335.828 2.699 20 70 EFIDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)Nc2cccnc2)CC1 ZINC000159681860 473051005 /nfs/dbraw/zinc/05/10/05/473051005.db2.gz VMHRTERZTNUESQ-UHFFFAOYSA-N -1 3 340.383 2.670 20 70 EFIDHM COc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160224752 473098282 /nfs/dbraw/zinc/09/82/82/473098282.db2.gz 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/nfs/dbraw/zinc/10/36/85/473103685.db2.gz CKYWOPVTEDRCQD-UHFFFAOYSA-N -1 3 326.356 2.919 20 70 EFIDHM O=S(=O)([N-]CC1(CO)CCCC1)c1c(Cl)cccc1Cl ZINC000160345203 473109422 /nfs/dbraw/zinc/10/94/22/473109422.db2.gz HDMCHYJYTPHOAZ-UHFFFAOYSA-N -1 3 338.256 2.824 20 70 EFIDHM CCc1ccc([O-])c(C(=O)NCc2ccc(OC)c(NC(C)=O)c2)c1 ZINC000160342151 473109921 /nfs/dbraw/zinc/10/99/21/473109921.db2.gz VZHMLGKHBYYURP-UHFFFAOYSA-N -1 3 342.395 2.852 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccn(-c4ccccc4)n3)[n-]2)o1 ZINC000160428643 473122806 /nfs/dbraw/zinc/12/28/06/473122806.db2.gz XYIONSPQUGNVIE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccn(-c4ccccc4)n3)n2)o1 ZINC000160428643 473122814 /nfs/dbraw/zinc/12/28/14/473122814.db2.gz XYIONSPQUGNVIE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccn(-c4ccccc4)n3)n[n-]2)o1 ZINC000160428643 473122818 /nfs/dbraw/zinc/12/28/18/473122818.db2.gz XYIONSPQUGNVIE-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM O=C(CCc1ccc(F)cc1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160545954 473141189 /nfs/dbraw/zinc/14/11/89/473141189.db2.gz YZHFVQRSAOJENS-UHFFFAOYSA-N -1 3 329.310 2.716 20 70 EFIDHM O=C(CCc1ccc(F)cc1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160545954 473141197 /nfs/dbraw/zinc/14/11/97/473141197.db2.gz YZHFVQRSAOJENS-UHFFFAOYSA-N -1 3 329.310 2.716 20 70 EFIDHM O=C(CCc1ccc(F)cc1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160545954 473141200 /nfs/dbraw/zinc/14/12/00/473141200.db2.gz YZHFVQRSAOJENS-UHFFFAOYSA-N -1 3 329.310 2.716 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000160573777 473144637 /nfs/dbraw/zinc/14/46/37/473144637.db2.gz MCISHTAHRZWCDG-CQSZACIVSA-N -1 3 333.457 2.987 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOC(C)(C)C3)nc2)n1 ZINC000160580433 473146738 /nfs/dbraw/zinc/14/67/38/473146738.db2.gz XESUNKRLBQUXGO-AWEZNQCLSA-N -1 3 328.416 2.764 20 70 EFIDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCn2ccnc2C1 ZINC000160739049 473168523 /nfs/dbraw/zinc/16/85/23/473168523.db2.gz 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EFIDHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCn2ccnc2C1 ZINC000159868898 473067973 /nfs/dbraw/zinc/06/79/73/473067973.db2.gz SLLXDOJLSUZFMN-SECBINFHSA-N -1 3 336.189 2.552 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(Cn4cccn4)cc3)[n-]2)o1 ZINC000160203257 473096963 /nfs/dbraw/zinc/09/69/63/473096963.db2.gz CEVWCYIRQFZNTP-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Cn4cccn4)cc3)n2)o1 ZINC000160203257 473096968 /nfs/dbraw/zinc/09/69/68/473096968.db2.gz CEVWCYIRQFZNTP-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cn4cccn4)cc3)n[n-]2)o1 ZINC000160203257 473096973 /nfs/dbraw/zinc/09/69/73/473096973.db2.gz CEVWCYIRQFZNTP-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4cccn4)cc3)[n-]2)o1 ZINC000160254508 473102192 /nfs/dbraw/zinc/10/21/92/473102192.db2.gz IGHKWBSBMZBDOV-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-n4cccn4)cc3)n2)o1 ZINC000160254508 473102197 /nfs/dbraw/zinc/10/21/97/473102197.db2.gz IGHKWBSBMZBDOV-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cccn4)cc3)n[n-]2)o1 ZINC000160254508 473102202 /nfs/dbraw/zinc/10/22/02/473102202.db2.gz IGHKWBSBMZBDOV-UHFFFAOYSA-N -1 3 334.339 2.811 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4c(s3)CCOC4)[n-]2)o1 ZINC000160279605 473103444 /nfs/dbraw/zinc/10/34/44/473103444.db2.gz XZVPXMPJLNCBHH-UHFFFAOYSA-N -1 3 330.369 2.760 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4c(s3)CCOC4)n2)o1 ZINC000160279605 473103450 /nfs/dbraw/zinc/10/34/50/473103450.db2.gz XZVPXMPJLNCBHH-UHFFFAOYSA-N -1 3 330.369 2.760 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cc4c(s3)CCOC4)n[n-]2)o1 ZINC000160279605 473103454 /nfs/dbraw/zinc/10/34/54/473103454.db2.gz XZVPXMPJLNCBHH-UHFFFAOYSA-N -1 3 330.369 2.760 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(F)c3)[n-]2)o1 ZINC000160306179 473107218 /nfs/dbraw/zinc/10/72/18/473107218.db2.gz HEWGRNKURHMYQD-JTQLQIEISA-N -1 3 330.319 2.918 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3cccc(F)c3)n2)o1 ZINC000160306179 473107225 /nfs/dbraw/zinc/10/72/25/473107225.db2.gz HEWGRNKURHMYQD-JTQLQIEISA-N -1 3 330.319 2.918 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(F)c3)n[n-]2)o1 ZINC000160306179 473107232 /nfs/dbraw/zinc/10/72/32/473107232.db2.gz HEWGRNKURHMYQD-JTQLQIEISA-N -1 3 330.319 2.918 20 70 EFIDHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160336553 473109830 /nfs/dbraw/zinc/10/98/30/473109830.db2.gz WOWDRDDGVBVKJO-UHFFFAOYSA-N -1 3 343.318 2.723 20 70 EFIDHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160336553 473109835 /nfs/dbraw/zinc/10/98/35/473109835.db2.gz WOWDRDDGVBVKJO-UHFFFAOYSA-N -1 3 343.318 2.723 20 70 EFIDHM CC(=O)Nc1ccc(F)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160336553 473109841 /nfs/dbraw/zinc/10/98/41/473109841.db2.gz WOWDRDDGVBVKJO-UHFFFAOYSA-N -1 3 343.318 2.723 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CSCc3ccncc3)[n-]2)o1 ZINC000160339432 473110638 /nfs/dbraw/zinc/11/06/38/473110638.db2.gz STLZXOZHVLOXHF-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSCc3ccncc3)n2)o1 ZINC000160339432 473110644 /nfs/dbraw/zinc/11/06/44/473110644.db2.gz STLZXOZHVLOXHF-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CSCc3ccncc3)n[n-]2)o1 ZINC000160339432 473110651 /nfs/dbraw/zinc/11/06/51/473110651.db2.gz STLZXOZHVLOXHF-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160430986 473124171 /nfs/dbraw/zinc/12/41/71/473124171.db2.gz FAYZRAYWOFNLRM-UHFFFAOYSA-N -1 3 339.355 2.974 20 70 EFIDHM CCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160430986 473124176 /nfs/dbraw/zinc/12/41/76/473124176.db2.gz FAYZRAYWOFNLRM-UHFFFAOYSA-N -1 3 339.355 2.974 20 70 EFIDHM CCC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160430986 473124181 /nfs/dbraw/zinc/12/41/81/473124181.db2.gz FAYZRAYWOFNLRM-UHFFFAOYSA-N -1 3 339.355 2.974 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000160566105 473143064 /nfs/dbraw/zinc/14/30/64/473143064.db2.gz OWRSHAOPJZIBGJ-CYBMUJFWSA-N -1 3 338.415 2.518 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 ZINC000160607233 473151094 /nfs/dbraw/zinc/15/10/94/473151094.db2.gz AACGXXCUFCNPBW-CQSZACIVSA-N -1 3 340.427 2.595 20 70 EFIDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000160681937 473159984 /nfs/dbraw/zinc/15/99/84/473159984.db2.gz GWGAUPJHMLVNSN-MLGOLLRUSA-N -1 3 347.427 2.980 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000160710219 473164518 /nfs/dbraw/zinc/16/45/18/473164518.db2.gz LJDJSTSMXKMNEK-HNNXBMFYSA-N -1 3 346.427 2.962 20 70 EFIDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160806469 473177209 /nfs/dbraw/zinc/17/72/09/473177209.db2.gz NKHJCZWSCGMXKX-UHFFFAOYSA-N -1 3 348.288 2.841 20 70 EFIDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160806469 473177210 /nfs/dbraw/zinc/17/72/10/473177210.db2.gz NKHJCZWSCGMXKX-UHFFFAOYSA-N -1 3 348.288 2.841 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(Br)o2)n1 ZINC000160830380 473180151 /nfs/dbraw/zinc/18/01/51/473180151.db2.gz WZQQTHCUAIOXGR-UHFFFAOYSA-N -1 3 326.194 2.732 20 70 EFIDHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@H](Oc2ccncc2)C1 ZINC000160951170 473194164 /nfs/dbraw/zinc/19/41/64/473194164.db2.gz SYFBRDVLUYBRRF-OAHLLOKOSA-N -1 3 332.787 2.663 20 70 EFIDHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1nnc2ccccn21 ZINC000161030152 473200670 /nfs/dbraw/zinc/20/06/70/473200670.db2.gz HNNIXGHYNHFVJJ-SNVBAGLBSA-N -1 3 330.775 2.508 20 70 EFIDHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccccc2O[C@H]2CCOC2)on1 ZINC000159941452 533978831 /nfs/dbraw/zinc/97/88/31/533978831.db2.gz PBYINMFAXNQKBI-OLZOCXBDSA-N -1 3 331.372 2.590 20 70 EFIDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCCC2)c1 ZINC000159806344 527283019 /nfs/dbraw/zinc/28/30/19/527283019.db2.gz VBZVJQYKJAIJPJ-UHFFFAOYSA-N -1 3 345.848 2.516 20 70 EFIDHM CCOc1cc(CNC(=O)NCc2ccc([O-])c(F)c2)ccc1OC ZINC000159984264 528271782 /nfs/dbraw/zinc/27/17/82/528271782.db2.gz MIVYYLQTAMHKRJ-UHFFFAOYSA-N -1 3 348.374 2.938 20 70 EFIDHM CCC(O)(CC)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000160206408 528975283 /nfs/dbraw/zinc/97/52/83/528975283.db2.gz SEXFXDKOPVFFAG-UHFFFAOYSA-N -1 3 340.272 2.964 20 70 EFIDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CC2(C)CCCCC2)s1 ZINC000160060162 530029526 /nfs/dbraw/zinc/02/95/26/530029526.db2.gz PKAIBFDRJADHFF-UHFFFAOYSA-N -1 3 344.502 2.633 20 70 EFIDHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc2ccccc2cc1[O-] ZINC000161366852 239071149 /nfs/dbraw/zinc/07/11/49/239071149.db2.gz XHPVQLWAQYOXOE-MRXNPFEDSA-N -1 3 333.391 2.949 20 70 EFIDHM CC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccc(F)cc1F ZINC000159618181 206254781 /nfs/dbraw/zinc/25/47/81/206254781.db2.gz AZWSVRNDRZLVJB-NSHDSACASA-N -1 3 349.790 2.781 20 70 EFIDHM Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1=O ZINC000160406142 206295600 /nfs/dbraw/zinc/29/56/00/206295600.db2.gz LFYDSZZUABRRQK-UHFFFAOYSA-N -1 3 326.443 2.545 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@]3(C)CCCS3)c[n-]c12 ZINC000160508833 206300687 /nfs/dbraw/zinc/30/06/87/206300687.db2.gz KJJMZXAACAKMHF-QGZVFWFLSA-N -1 3 334.416 2.991 20 70 EFIDHM Cc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c([O-])c1C ZINC000160500232 206301032 /nfs/dbraw/zinc/30/10/32/206301032.db2.gz WDNAMUUGESAPDK-UHFFFAOYSA-N -1 3 330.428 2.626 20 70 EFIDHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000160705177 206310261 /nfs/dbraw/zinc/31/02/61/206310261.db2.gz IIWAPCUXYVKFMD-JTQLQIEISA-N -1 3 329.343 2.633 20 70 EFIDHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000160304796 310697130 /nfs/dbraw/zinc/69/71/30/310697130.db2.gz OZNVYKAYEIHVPL-UHFFFAOYSA-N -1 3 340.379 2.952 20 70 EFIDHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCCc2sccc21 ZINC000161179527 310706994 /nfs/dbraw/zinc/70/69/94/310706994.db2.gz JFXWHBVTCYHNOX-ZDUSSCGKSA-N -1 3 341.392 2.831 20 70 EFIDHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1ccc(F)cc1 ZINC000161103911 473207612 /nfs/dbraw/zinc/20/76/12/473207612.db2.gz FVLBPLKSBYMCPQ-LLVKDONJSA-N -1 3 340.354 2.933 20 70 EFIDHM COC(=O)c1sc2[n-]c(CSc3ccncc3)nc(=O)c2c1C ZINC000159889357 473068255 /nfs/dbraw/zinc/06/82/55/473068255.db2.gz CPAFLXHJGZBCCF-UHFFFAOYSA-N -1 3 347.421 2.767 20 70 EFIDHM Cc1cccc([C@H](NC(=O)c2cc(C)nc(=O)[n-]2)c2ccccn2)c1 ZINC000160071204 473085812 /nfs/dbraw/zinc/08/58/12/473085812.db2.gz YVXHCRRVXNWOCA-KRWDZBQOSA-N -1 3 334.379 2.713 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)nc4onc(C)c43)[n-]2)o1 ZINC000160183011 473094972 /nfs/dbraw/zinc/09/49/72/473094972.db2.gz ZRGOPLGTPRYACZ-UHFFFAOYSA-N -1 3 338.327 2.778 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)nc4onc(C)c43)n2)o1 ZINC000160183011 473094976 /nfs/dbraw/zinc/09/49/76/473094976.db2.gz ZRGOPLGTPRYACZ-UHFFFAOYSA-N -1 3 338.327 2.778 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4onc(C)c43)n[n-]2)o1 ZINC000160183011 473094981 /nfs/dbraw/zinc/09/49/81/473094981.db2.gz ZRGOPLGTPRYACZ-UHFFFAOYSA-N -1 3 338.327 2.778 20 70 EFIDHM COc1cc(F)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160188485 473095480 /nfs/dbraw/zinc/09/54/80/473095480.db2.gz JYKBFILOTMGEOX-UHFFFAOYSA-N -1 3 346.318 2.782 20 70 EFIDHM COc1cc(F)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160188485 473095485 /nfs/dbraw/zinc/09/54/85/473095485.db2.gz JYKBFILOTMGEOX-UHFFFAOYSA-N -1 3 346.318 2.782 20 70 EFIDHM COc1cc(F)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160188485 473095493 /nfs/dbraw/zinc/09/54/93/473095493.db2.gz JYKBFILOTMGEOX-UHFFFAOYSA-N -1 3 346.318 2.782 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CSCc3ccccn3)[n-]2)o1 ZINC000160320523 473106316 /nfs/dbraw/zinc/10/63/16/473106316.db2.gz NKQZYBKVCVTGDH-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSCc3ccccn3)n2)o1 ZINC000160320523 473106319 /nfs/dbraw/zinc/10/63/19/473106319.db2.gz NKQZYBKVCVTGDH-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CSCc3ccccn3)n[n-]2)o1 ZINC000160320523 473106325 /nfs/dbraw/zinc/10/63/25/473106325.db2.gz NKQZYBKVCVTGDH-UHFFFAOYSA-N -1 3 329.385 2.640 20 70 EFIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000160317819 473106657 /nfs/dbraw/zinc/10/66/57/473106657.db2.gz SQPLYSPRVBORMD-VIFPVBQESA-N -1 3 329.315 2.548 20 70 EFIDHM O=S(=O)([N-]CC1(CO)CCCC1)c1cc(Cl)ccc1Cl ZINC000160342310 473110577 /nfs/dbraw/zinc/11/05/77/473110577.db2.gz ZWEXIZBSEQPYHT-UHFFFAOYSA-N -1 3 338.256 2.824 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccccn3)[n-]2)o1 ZINC000160347175 473110908 /nfs/dbraw/zinc/11/09/08/473110908.db2.gz FQVYGFQTZCVYED-JTQLQIEISA-N -1 3 329.385 2.887 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Sc3ccccn3)n2)o1 ZINC000160347175 473110916 /nfs/dbraw/zinc/11/09/16/473110916.db2.gz FQVYGFQTZCVYED-JTQLQIEISA-N -1 3 329.385 2.887 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Sc3ccccn3)n[n-]2)o1 ZINC000160347175 473110918 /nfs/dbraw/zinc/11/09/18/473110918.db2.gz FQVYGFQTZCVYED-JTQLQIEISA-N -1 3 329.385 2.887 20 70 EFIDHM CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160434926 473124136 /nfs/dbraw/zinc/12/41/36/473124136.db2.gz CWDPTDRIJIIXNN-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160434926 473124141 /nfs/dbraw/zinc/12/41/41/473124141.db2.gz CWDPTDRIJIIXNN-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1ccc(OCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160434926 473124150 /nfs/dbraw/zinc/12/41/50/473124150.db2.gz CWDPTDRIJIIXNN-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM O=C(COc1ccc2c(c1)CCCC2)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160882823 473187366 /nfs/dbraw/zinc/18/73/66/473187366.db2.gz DJIWVLQWCCNVSS-UHFFFAOYSA-N -1 3 349.394 2.763 20 70 EFIDHM O=C(COc1ccc2c(c1)CCCC2)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160882823 473187373 /nfs/dbraw/zinc/18/73/73/473187373.db2.gz DJIWVLQWCCNVSS-UHFFFAOYSA-N -1 3 349.394 2.763 20 70 EFIDHM O=C(COc1ccc2c(c1)CCCC2)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160882823 473187377 /nfs/dbraw/zinc/18/73/77/473187377.db2.gz DJIWVLQWCCNVSS-UHFFFAOYSA-N -1 3 349.394 2.763 20 70 EFIDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)c1 ZINC000160979232 473195966 /nfs/dbraw/zinc/19/59/66/473195966.db2.gz JTBJLXSOMIHYQE-UHFFFAOYSA-N -1 3 347.864 2.712 20 70 EFIDHM Cn1cnc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3[O-])cnc21 ZINC000161001922 473198136 /nfs/dbraw/zinc/19/81/36/473198136.db2.gz LIVSUUBIRDAZSU-UHFFFAOYSA-N -1 3 336.273 2.945 20 70 EFIDHM CC(C)(CNC(=O)c1nn(-c2ccccc2)cc1[O-])N1CCCCC1 ZINC000218345165 474145354 /nfs/dbraw/zinc/14/53/54/474145354.db2.gz BBDQWZIBJMVVQA-UHFFFAOYSA-N -1 3 342.443 2.572 20 70 EFIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000160300779 529398666 /nfs/dbraw/zinc/39/86/66/529398666.db2.gz VWAJAHNRJMQYHL-MRVPVSSYSA-N -1 3 342.244 2.705 20 70 EFIDHM CC[C@H](O)CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000160873945 529693519 /nfs/dbraw/zinc/69/35/19/529693519.db2.gz UZVSJCBQFGKUIC-HNNXBMFYSA-N -1 3 329.396 2.862 20 70 EFIDHM COc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc(OC)c1[O-] ZINC000160286935 533550281 /nfs/dbraw/zinc/55/02/81/533550281.db2.gz HZFOSEXXHBTUFX-ZWNOBZJWSA-N -1 3 349.333 2.974 20 70 EFIDHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCOc2ccccc21 ZINC000159466330 225224019 /nfs/dbraw/zinc/22/40/19/225224019.db2.gz NGGUJVDZJGHUOU-ZDUSSCGKSA-N -1 3 330.359 2.897 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000159826281 225284998 /nfs/dbraw/zinc/28/49/98/225284998.db2.gz LKPIXSHKDYQFGE-JTQLQIEISA-N -1 3 326.393 2.648 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000159869886 225293511 /nfs/dbraw/zinc/29/35/11/225293511.db2.gz ZAYAOMLEQQXMKT-MRVPVSSYSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159880832 225295435 /nfs/dbraw/zinc/29/54/35/225295435.db2.gz RZAYOOZVWAOTFF-QMMMGPOBSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CCCOc3cccnc3)[n-]2)o1 ZINC000160370289 273022007 /nfs/dbraw/zinc/02/20/07/273022007.db2.gz WFGKFFQWAIBNAG-UHFFFAOYSA-N -1 3 327.344 2.566 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOc3cccnc3)n2)o1 ZINC000160370289 273022008 /nfs/dbraw/zinc/02/20/08/273022008.db2.gz WFGKFFQWAIBNAG-UHFFFAOYSA-N -1 3 327.344 2.566 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CCCOc3cccnc3)n[n-]2)o1 ZINC000160370289 273022009 /nfs/dbraw/zinc/02/20/09/273022009.db2.gz WFGKFFQWAIBNAG-UHFFFAOYSA-N -1 3 327.344 2.566 20 70 EFIDHM CC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000161019214 473199830 /nfs/dbraw/zinc/19/98/30/473199830.db2.gz JAYWIUDPFTWBRU-UHFFFAOYSA-N -1 3 341.326 2.692 20 70 EFIDHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCCc2sccc21 ZINC000161179414 473215403 /nfs/dbraw/zinc/21/54/03/473215403.db2.gz JFXWHBVTCYHNOX-CYBMUJFWSA-N -1 3 341.392 2.831 20 70 EFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)c1nccs1 ZINC000159962481 473075403 /nfs/dbraw/zinc/07/54/03/473075403.db2.gz VPLWJFYMBSCBFT-GXFFZTMASA-N -1 3 338.454 2.896 20 70 EFIDHM CCCc1noc(CCCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)n1 ZINC000160320807 473106175 /nfs/dbraw/zinc/10/61/75/473106175.db2.gz OJCIYSFXNXMQGP-UHFFFAOYSA-N -1 3 344.375 2.670 20 70 EFIDHM CCCc1noc(CCCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)n1 ZINC000160320807 473106180 /nfs/dbraw/zinc/10/61/80/473106180.db2.gz OJCIYSFXNXMQGP-UHFFFAOYSA-N -1 3 344.375 2.670 20 70 EFIDHM CCCc1noc(CCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)n1 ZINC000160320807 473106187 /nfs/dbraw/zinc/10/61/87/473106187.db2.gz OJCIYSFXNXMQGP-UHFFFAOYSA-N -1 3 344.375 2.670 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(F)c3)[n-]2)o1 ZINC000160306048 473107008 /nfs/dbraw/zinc/10/70/08/473107008.db2.gz HEWGRNKURHMYQD-SNVBAGLBSA-N -1 3 330.319 2.918 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Oc3cccc(F)c3)n2)o1 ZINC000160306048 473107014 /nfs/dbraw/zinc/10/70/14/473107014.db2.gz HEWGRNKURHMYQD-SNVBAGLBSA-N -1 3 330.319 2.918 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(F)c3)n[n-]2)o1 ZINC000160306048 473107021 /nfs/dbraw/zinc/10/70/21/473107021.db2.gz HEWGRNKURHMYQD-SNVBAGLBSA-N -1 3 330.319 2.918 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccccn3)[n-]2)o1 ZINC000160347061 473111816 /nfs/dbraw/zinc/11/18/16/473111816.db2.gz FQVYGFQTZCVYED-SNVBAGLBSA-N -1 3 329.385 2.887 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Sc3ccccn3)n2)o1 ZINC000160347061 473111820 /nfs/dbraw/zinc/11/18/20/473111820.db2.gz FQVYGFQTZCVYED-SNVBAGLBSA-N -1 3 329.385 2.887 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Sc3ccccn3)n[n-]2)o1 ZINC000160347061 473111828 /nfs/dbraw/zinc/11/18/28/473111828.db2.gz FQVYGFQTZCVYED-SNVBAGLBSA-N -1 3 329.385 2.887 20 70 EFIDHM CCc1ccc([O-])c(C(=O)N2CCC(N3CCCCC3=O)CC2)c1 ZINC000160498390 473134288 /nfs/dbraw/zinc/13/42/88/473134288.db2.gz MEDUDEPRQYDRPW-UHFFFAOYSA-N -1 3 330.428 2.572 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000160628583 473153365 /nfs/dbraw/zinc/15/33/65/473153365.db2.gz CDVVCMARMPZTHU-UHFFFAOYSA-N -1 3 325.412 2.840 20 70 EFIDHM Cc1nc(N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)sc1C ZINC000160626254 473153883 /nfs/dbraw/zinc/15/38/83/473153883.db2.gz DROFTPDCAVYBHF-UHFFFAOYSA-N -1 3 331.441 2.736 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000160633177 473154124 /nfs/dbraw/zinc/15/41/24/473154124.db2.gz XQJWXFWJRUKPEM-UHFFFAOYSA-N -1 3 344.434 2.592 20 70 EFIDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000160681691 473160510 /nfs/dbraw/zinc/16/05/10/473160510.db2.gz GWGAUPJHMLVNSN-WBMJQRKESA-N -1 3 347.427 2.980 20 70 EFIDHM O=C(COc1ccc2c(c1)CCCC2)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160803486 473177103 /nfs/dbraw/zinc/17/71/03/473177103.db2.gz GMCBFHJHFHUCNI-UHFFFAOYSA-N -1 3 340.305 2.720 20 70 EFIDHM O=C(COc1ccc2c(c1)CCCC2)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160803486 473177107 /nfs/dbraw/zinc/17/71/07/473177107.db2.gz GMCBFHJHFHUCNI-UHFFFAOYSA-N -1 3 340.305 2.720 20 70 EFIDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000160822759 473179840 /nfs/dbraw/zinc/17/98/40/473179840.db2.gz CKHOKWNBCIKEHH-UHFFFAOYSA-N -1 3 336.388 2.918 20 70 EFIDHM CCC(CC)n1ncc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1C ZINC000160832975 473181278 /nfs/dbraw/zinc/18/12/78/473181278.db2.gz MUQQUHUYRZQPII-UHFFFAOYSA-N -1 3 339.403 2.985 20 70 EFIDHM CCC(CC)n1ncc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1C ZINC000160832975 473181284 /nfs/dbraw/zinc/18/12/84/473181284.db2.gz MUQQUHUYRZQPII-UHFFFAOYSA-N -1 3 339.403 2.985 20 70 EFIDHM CCC(CC)n1ncc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1C ZINC000160832975 473181289 /nfs/dbraw/zinc/18/12/89/473181289.db2.gz MUQQUHUYRZQPII-UHFFFAOYSA-N -1 3 339.403 2.985 20 70 EFIDHM COc1ccccc1-c1nc(NC(=O)Cc2nc(C)sc2C)n[n-]1 ZINC000160881237 473187465 /nfs/dbraw/zinc/18/74/65/473187465.db2.gz FNHJIRCFIQQHLF-UHFFFAOYSA-N -1 3 343.412 2.735 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(CC(=O)OC)Cc2ccc(Cl)cc2)n1 ZINC000160980213 473196250 /nfs/dbraw/zinc/19/62/50/473196250.db2.gz TUNYIZUSJMOMPW-UHFFFAOYSA-N -1 3 349.818 2.573 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000160981460 473196363 /nfs/dbraw/zinc/19/63/63/473196363.db2.gz LIACOVWULZQANJ-KRWDZBQOSA-N -1 3 327.428 2.926 20 70 EFIDHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3oc(N(C)C)nc3c2)on1 ZINC000160051636 533985979 /nfs/dbraw/zinc/98/59/79/533985979.db2.gz MJCAGZVGHTZABV-JTQLQIEISA-N -1 3 329.360 2.629 20 70 EFIDHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccccc2O[C@H]2CCOC2)on1 ZINC000159941588 533988901 /nfs/dbraw/zinc/98/89/01/533988901.db2.gz PBYINMFAXNQKBI-STQMWFEESA-N -1 3 331.372 2.590 20 70 EFIDHM C[C@H](O)CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000159916819 534060354 /nfs/dbraw/zinc/06/03/54/534060354.db2.gz LKQZJUMPMPTBCB-AWEZNQCLSA-N -1 3 329.396 2.814 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)OC(C)(C)C)[n-]2)o1 ZINC000160239022 534224701 /nfs/dbraw/zinc/22/47/01/534224701.db2.gz MXAWPUOESSOLEP-UHFFFAOYSA-N -1 3 349.391 2.617 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)OC(C)(C)C)n2)o1 ZINC000160239022 534224705 /nfs/dbraw/zinc/22/47/05/534224705.db2.gz MXAWPUOESSOLEP-UHFFFAOYSA-N -1 3 349.391 2.617 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000160239022 534224709 /nfs/dbraw/zinc/22/47/09/534224709.db2.gz MXAWPUOESSOLEP-UHFFFAOYSA-N -1 3 349.391 2.617 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000159866071 527018910 /nfs/dbraw/zinc/01/89/10/527018910.db2.gz LKCCINMFBMWDAL-CQSZACIVSA-N -1 3 332.400 2.572 20 70 EFIDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(O)c1 ZINC000160177818 533483576 /nfs/dbraw/zinc/48/35/76/533483576.db2.gz XSPBXMUKKRUGLB-MRVPVSSYSA-N -1 3 331.315 2.849 20 70 EFIDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCCn2cccc2)c1 ZINC000159690072 225261514 /nfs/dbraw/zinc/26/15/14/225261514.db2.gz TWLMMFLOUWNMGM-UHFFFAOYSA-N -1 3 335.429 2.587 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000159826378 225284654 /nfs/dbraw/zinc/28/46/54/225284654.db2.gz LKPIXSHKDYQFGE-SNVBAGLBSA-N -1 3 326.393 2.648 20 70 EFIDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@@]1(O)CCSC1 ZINC000159396477 544795067 /nfs/dbraw/zinc/79/50/67/544795067.db2.gz POFDEIVHISLYOE-GOSISDBHSA-N -1 3 329.421 2.790 20 70 EFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1ccccc1C(F)(F)F ZINC000159739822 544798232 /nfs/dbraw/zinc/79/82/32/544798232.db2.gz FVFPWJGIFDPXNT-UHFFFAOYSA-N -1 3 345.342 2.676 20 70 EFIDHM CCCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000159404655 310686768 /nfs/dbraw/zinc/68/67/68/310686768.db2.gz LSYNZJUGNOYZAH-UHFFFAOYSA-N -1 3 333.363 2.715 20 70 EFIDHM O=C([N-]c1nnc2ccccn21)Nc1ccccc1O[C@@H]1CCOC1 ZINC000160245148 310696655 /nfs/dbraw/zinc/69/66/55/310696655.db2.gz PCUWIUNNIGSCPF-GFCCVEGCSA-N -1 3 339.355 2.541 20 70 EFIDHM Cc1sc(C(=O)Nc2ccccc2[O-])cc1CS(C)(=O)=O ZINC000160952875 310704376 /nfs/dbraw/zinc/70/43/76/310704376.db2.gz CMRIPNUBEWHFKF-UHFFFAOYSA-N -1 3 325.411 2.559 20 70 EFIDHM COC(=O)c1ccc(-n2cc(C)cn2)c([N-]C(=O)c2cc(C)no2)c1 ZINC000161497642 310709938 /nfs/dbraw/zinc/70/99/38/310709938.db2.gz YIQCXWZDZRDEFD-UHFFFAOYSA-N -1 3 340.339 2.516 20 70 EFIDHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c1 ZINC000159547806 473036658 /nfs/dbraw/zinc/03/66/58/473036658.db2.gz YAIGRCRNFHRZJG-AWEZNQCLSA-N -1 3 347.864 2.568 20 70 EFIDHM COc1cccc(OCCC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000159578860 473041095 /nfs/dbraw/zinc/04/10/95/473041095.db2.gz TZBQJAZDOYKJQO-UHFFFAOYSA-N -1 3 339.388 2.582 20 70 EFIDHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cc(F)ccc1Cl ZINC000159580126 473041808 /nfs/dbraw/zinc/04/18/08/473041808.db2.gz MWPKMGHETSTHGE-CYBMUJFWSA-N -1 3 335.828 2.699 20 70 EFIDHM COc1cc(F)c([N-]C(=O)c2ncn(-c3ccccc3)n2)cc1F ZINC000159931590 473072825 /nfs/dbraw/zinc/07/28/25/473072825.db2.gz KAKWNTRBDCSKDH-UHFFFAOYSA-N -1 3 330.294 2.806 20 70 EFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1nccs1 ZINC000159962620 473076451 /nfs/dbraw/zinc/07/64/51/473076451.db2.gz VPLWJFYMBSCBFT-MFKMUULPSA-N -1 3 338.454 2.896 20 70 EFIDHM COC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160212894 473097327 /nfs/dbraw/zinc/09/73/27/473097327.db2.gz HHJGQLMITKOKHU-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM COC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160212894 473097333 /nfs/dbraw/zinc/09/73/33/473097333.db2.gz HHJGQLMITKOKHU-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM COC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160212894 473097337 /nfs/dbraw/zinc/09/73/37/473097337.db2.gz HHJGQLMITKOKHU-UHFFFAOYSA-N -1 3 341.327 2.804 20 70 EFIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000160317934 473106251 /nfs/dbraw/zinc/10/62/51/473106251.db2.gz SQPLYSPRVBORMD-SECBINFHSA-N -1 3 329.315 2.548 20 70 EFIDHM O=S(=O)([N-]CC1(CO)CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000160348337 473112086 /nfs/dbraw/zinc/11/20/86/473112086.db2.gz HZQSIOUBINLWJY-UHFFFAOYSA-N -1 3 338.256 2.824 20 70 EFIDHM CCOc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160432473 473123966 /nfs/dbraw/zinc/12/39/66/473123966.db2.gz IWNLIXIVPSOINI-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160432473 473123973 /nfs/dbraw/zinc/12/39/73/473123973.db2.gz IWNLIXIVPSOINI-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCOc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160432473 473123981 /nfs/dbraw/zinc/12/39/81/473123981.db2.gz IWNLIXIVPSOINI-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOC(C)(C)C3)nc2)n1 ZINC000160580314 473146874 /nfs/dbraw/zinc/14/68/74/473146874.db2.gz XESUNKRLBQUXGO-CQSZACIVSA-N -1 3 328.416 2.764 20 70 EFIDHM CCOc1ccc(OCCCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160757876 473171393 /nfs/dbraw/zinc/17/13/93/473171393.db2.gz RGJJOFKFPONZMD-UHFFFAOYSA-N -1 3 330.384 2.887 20 70 EFIDHM CCON=C([O-])Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000160774047 473174061 /nfs/dbraw/zinc/17/40/61/473174061.db2.gz YHHDMLNXTQXSLE-UHFFFAOYSA-N -1 3 344.293 2.903 20 70 EFIDHM CCO[N-]C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000160774047 473174064 /nfs/dbraw/zinc/17/40/64/473174064.db2.gz YHHDMLNXTQXSLE-UHFFFAOYSA-N -1 3 344.293 2.903 20 70 EFIDHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)cn1)C1CC1 ZINC000160907711 473189460 /nfs/dbraw/zinc/18/94/60/473189460.db2.gz LMAUTWWYGYVQQJ-UHFFFAOYSA-N -1 3 349.387 2.511 20 70 EFIDHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]CC1(O)CCCCCC1 ZINC000160975836 473195886 /nfs/dbraw/zinc/19/58/86/473195886.db2.gz PMXBKMUHALWEEE-UHFFFAOYSA-N -1 3 349.855 2.984 20 70 EFIDHM CCC1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCC1 ZINC000161004579 473198615 /nfs/dbraw/zinc/19/86/15/473198615.db2.gz XZLSCAWHQRAEAA-UHFFFAOYSA-N -1 3 330.428 2.647 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)[n-]2)o1 ZINC000160210507 534224615 /nfs/dbraw/zinc/22/46/15/534224615.db2.gz HVAYPTXVYZSQKT-SECBINFHSA-N -1 3 342.403 2.541 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)n2)o1 ZINC000160210507 534224617 /nfs/dbraw/zinc/22/46/17/534224617.db2.gz HVAYPTXVYZSQKT-SECBINFHSA-N -1 3 342.403 2.541 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)n[n-]2)o1 ZINC000160210507 534224623 /nfs/dbraw/zinc/22/46/23/534224623.db2.gz HVAYPTXVYZSQKT-SECBINFHSA-N -1 3 342.403 2.541 20 70 EFIDHM CC(C)CO[N-]C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000159545717 528118845 /nfs/dbraw/zinc/11/88/45/528118845.db2.gz GHQQOKHMTGTXLO-UHFFFAOYSA-N -1 3 333.432 2.951 20 70 EFIDHM CCC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000160166025 528986560 /nfs/dbraw/zinc/98/65/60/528986560.db2.gz OGNYREWMTQEXOR-UHFFFAOYSA-N -1 3 330.428 2.647 20 70 EFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000160293945 529377989 /nfs/dbraw/zinc/37/79/89/529377989.db2.gz RFJLDMASEOBXQE-ZDUSSCGKSA-N -1 3 346.499 2.619 20 70 EFIDHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000159782516 239034433 /nfs/dbraw/zinc/03/44/33/239034433.db2.gz DWCYAAYLXZWCDD-PBHICJAKSA-N -1 3 347.436 2.624 20 70 EFIDHM O=S(=O)([N-]CCOc1ccccc1Cl)c1ccccc1F ZINC000160061322 239042275 /nfs/dbraw/zinc/04/22/75/239042275.db2.gz RINWWMNEGYIZQK-UHFFFAOYSA-N -1 3 329.780 2.836 20 70 EFIDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(O)c1 ZINC000160177049 533481278 /nfs/dbraw/zinc/48/12/78/533481278.db2.gz DVIJJUYTJLHRFN-MRVPVSSYSA-N -1 3 331.315 2.849 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000159870011 225293344 /nfs/dbraw/zinc/29/33/44/225293344.db2.gz ZAYAOMLEQQXMKT-QMMMGPOBSA-N -1 3 346.811 2.993 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(OC(C)C)nc3)[n-]2)o1 ZINC000160284714 225379963 /nfs/dbraw/zinc/37/99/63/225379963.db2.gz DNGWXSXSRFTAKP-UHFFFAOYSA-N -1 3 327.344 2.808 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(OC(C)C)nc3)n2)o1 ZINC000160284714 225379969 /nfs/dbraw/zinc/37/99/69/225379969.db2.gz DNGWXSXSRFTAKP-UHFFFAOYSA-N -1 3 327.344 2.808 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(OC(C)C)nc3)n[n-]2)o1 ZINC000160284714 225379975 /nfs/dbraw/zinc/37/99/75/225379975.db2.gz DNGWXSXSRFTAKP-UHFFFAOYSA-N -1 3 327.344 2.808 20 70 EFIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000160104491 225338516 /nfs/dbraw/zinc/33/85/16/225338516.db2.gz DFUABNILANLHGE-OAHLLOKOSA-N -1 3 343.402 3.000 20 70 EFIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000159371878 544795422 /nfs/dbraw/zinc/79/54/22/544795422.db2.gz RZMYBTONIUCNEQ-UHFFFAOYSA-N -1 3 333.400 2.979 20 70 EFIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000159397335 544795545 /nfs/dbraw/zinc/79/55/45/544795545.db2.gz PEGVERUXKXWXNL-UHFFFAOYSA-N -1 3 333.400 2.979 20 70 EFIDHM CC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000161019383 473199935 /nfs/dbraw/zinc/19/99/35/473199935.db2.gz JFTZRJCDEISYFT-UHFFFAOYSA-N -1 3 341.326 2.692 20 70 EFIDHM CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000161022776 473200029 /nfs/dbraw/zinc/20/00/29/473200029.db2.gz ADMPKFXVIRVLRU-UHFFFAOYSA-N -1 3 337.298 2.821 20 70 EFIDHM Cc1cc(Cl)cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000159694655 473052587 /nfs/dbraw/zinc/05/25/87/473052587.db2.gz MXAIBQTWEVWVSL-UHFFFAOYSA-N -1 3 346.814 2.904 20 70 EFIDHM Cc1cccc([C@@H](NC(=O)c2cc(C)nc(=O)[n-]2)c2ccccn2)c1 ZINC000160071333 473085107 /nfs/dbraw/zinc/08/51/07/473085107.db2.gz YVXHCRRVXNWOCA-QGZVFWFLSA-N -1 3 334.379 2.713 20 70 EFIDHM COc1cc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1C ZINC000160165003 473092472 /nfs/dbraw/zinc/09/24/72/473092472.db2.gz MPIIRYHAOJUPFX-UHFFFAOYSA-N -1 3 326.356 2.871 20 70 EFIDHM COc1cc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1C ZINC000160165003 473092475 /nfs/dbraw/zinc/09/24/75/473092475.db2.gz MPIIRYHAOJUPFX-UHFFFAOYSA-N -1 3 326.356 2.871 20 70 EFIDHM COc1cc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1C ZINC000160165003 473092482 /nfs/dbraw/zinc/09/24/82/473092482.db2.gz MPIIRYHAOJUPFX-UHFFFAOYSA-N -1 3 326.356 2.871 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4cncn4)c(C)c3)[n-]2)o1 ZINC000160245946 473100496 /nfs/dbraw/zinc/10/04/96/473100496.db2.gz KCFXHDNTGBEDKZ-UHFFFAOYSA-N -1 3 349.354 2.515 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-n4cncn4)c(C)c3)n2)o1 ZINC000160245946 473100505 /nfs/dbraw/zinc/10/05/05/473100505.db2.gz KCFXHDNTGBEDKZ-UHFFFAOYSA-N -1 3 349.354 2.515 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cncn4)c(C)c3)n[n-]2)o1 ZINC000160245946 473100511 /nfs/dbraw/zinc/10/05/11/473100511.db2.gz KCFXHDNTGBEDKZ-UHFFFAOYSA-N -1 3 349.354 2.515 20 70 EFIDHM COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160270547 473103053 /nfs/dbraw/zinc/10/30/53/473103053.db2.gz CCGKFGNVRZIFTI-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160270547 473103057 /nfs/dbraw/zinc/10/30/57/473103057.db2.gz CCGKFGNVRZIFTI-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM COc1cc(OC)cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160270547 473103062 /nfs/dbraw/zinc/10/30/62/473103062.db2.gz CCGKFGNVRZIFTI-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM CCc1ccccc1OCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160290282 473105064 /nfs/dbraw/zinc/10/50/64/473105064.db2.gz ZARWUUSRFKSZDD-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160290282 473105066 /nfs/dbraw/zinc/10/50/66/473105066.db2.gz ZARWUUSRFKSZDD-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160290282 473105069 /nfs/dbraw/zinc/10/50/69/473105069.db2.gz ZARWUUSRFKSZDD-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000160294847 473105415 /nfs/dbraw/zinc/10/54/15/473105415.db2.gz SDAOBOQRJDKOQA-OAHLLOKOSA-N -1 3 336.457 2.832 20 70 EFIDHM COc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc(OC)c1[O-] ZINC000160287062 473105850 /nfs/dbraw/zinc/10/58/50/473105850.db2.gz HZFOSEXXHBTUFX-MFKMUULPSA-N -1 3 349.333 2.974 20 70 EFIDHM CC(=O)Nc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1C ZINC000160357423 473112046 /nfs/dbraw/zinc/11/20/46/473112046.db2.gz IEGGPYSLBVRFNF-UHFFFAOYSA-N -1 3 339.355 2.892 20 70 EFIDHM CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1C ZINC000160357423 473112054 /nfs/dbraw/zinc/11/20/54/473112054.db2.gz IEGGPYSLBVRFNF-UHFFFAOYSA-N -1 3 339.355 2.892 20 70 EFIDHM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1C ZINC000160357423 473112058 /nfs/dbraw/zinc/11/20/58/473112058.db2.gz IEGGPYSLBVRFNF-UHFFFAOYSA-N -1 3 339.355 2.892 20 70 EFIDHM COc1cccc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160395758 473117245 /nfs/dbraw/zinc/11/72/45/473117245.db2.gz PTGIGQWRFFXBMC-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM COc1cccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160395758 473117251 /nfs/dbraw/zinc/11/72/51/473117251.db2.gz PTGIGQWRFFXBMC-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM COc1cccc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160395758 473117256 /nfs/dbraw/zinc/11/72/56/473117256.db2.gz PTGIGQWRFFXBMC-UHFFFAOYSA-N -1 3 326.356 2.953 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000160547107 473140689 /nfs/dbraw/zinc/14/06/89/473140689.db2.gz CQKXIEIQMQTEDE-HNNXBMFYSA-N -1 3 341.411 2.853 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000160565972 473143402 /nfs/dbraw/zinc/14/34/02/473143402.db2.gz OWRSHAOPJZIBGJ-ZDUSSCGKSA-N -1 3 338.415 2.518 20 70 EFIDHM CN(CCC(=O)OC(C)(C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000160607113 473150801 /nfs/dbraw/zinc/15/08/01/473150801.db2.gz XBDAYAYSLDZHGB-UHFFFAOYSA-N -1 3 327.808 2.778 20 70 EFIDHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H]1n1ccnc1 ZINC000160962804 473195266 /nfs/dbraw/zinc/19/52/66/473195266.db2.gz WJPOVGGVOSKMOE-BLLLJJGKSA-N -1 3 333.819 2.894 20 70 EFIDHM COc1ccc(CCCC(=O)[N-]OCc2cccnc2)c(OC)c1 ZINC000161069124 473203278 /nfs/dbraw/zinc/20/32/78/473203278.db2.gz NXDBMAFQGKRJPY-UHFFFAOYSA-N -1 3 330.384 2.670 20 70 EFIDHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(O)c1 ZINC000160176915 533965155 /nfs/dbraw/zinc/96/51/55/533965155.db2.gz DVIJJUYTJLHRFN-QMMMGPOBSA-N -1 3 331.315 2.849 20 70 EFIDHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)on1 ZINC000160051499 533977990 /nfs/dbraw/zinc/97/79/90/533977990.db2.gz MJCAGZVGHTZABV-SNVBAGLBSA-N -1 3 329.360 2.629 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CSC[C@H]3CCCCO3)[n-]2)o1 ZINC000160315855 534225361 /nfs/dbraw/zinc/22/53/61/534225361.db2.gz WIARRLAEEXXGLG-LLVKDONJSA-N -1 3 336.417 2.614 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSC[C@H]3CCCCO3)n2)o1 ZINC000160315855 534225362 /nfs/dbraw/zinc/22/53/62/534225362.db2.gz WIARRLAEEXXGLG-LLVKDONJSA-N -1 3 336.417 2.614 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CSC[C@H]3CCCCO3)n[n-]2)o1 ZINC000160315855 534225365 /nfs/dbraw/zinc/22/53/65/534225365.db2.gz WIARRLAEEXXGLG-LLVKDONJSA-N -1 3 336.417 2.614 20 70 EFIDHM CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)s1 ZINC000159634427 526766665 /nfs/dbraw/zinc/76/66/65/526766665.db2.gz HEDKBMKYQVXOQA-UHFFFAOYSA-N -1 3 346.452 2.911 20 70 EFIDHM CC1=C(C(=O)NCc2ccc([O-])c(Br)c2)CCCO1 ZINC000160328114 528076776 /nfs/dbraw/zinc/07/67/76/528076776.db2.gz LAFFRJIOCSHQGC-UHFFFAOYSA-N -1 3 326.190 2.855 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000160490713 529565616 /nfs/dbraw/zinc/56/56/16/529565616.db2.gz VTKSBKHOWMBFDS-UHFFFAOYSA-N -1 3 332.835 2.720 20 70 EFIDHM O=C(CCc1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216734319 241206778 /nfs/dbraw/zinc/20/67/78/241206778.db2.gz UBRWPNFWKUODDP-UHFFFAOYSA-N -1 3 342.361 2.536 20 70 EFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000159904102 206270038 /nfs/dbraw/zinc/27/00/38/206270038.db2.gz HOPGGOWYIIEJPY-SSDOTTSWSA-N -1 3 334.850 2.916 20 70 EFIDHM CC(C)CC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000160269413 206287845 /nfs/dbraw/zinc/28/78/45/206287845.db2.gz GQODEHJSXMSJOL-UHFFFAOYSA-N -1 3 344.455 2.893 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CSC[C@@H]3CCCCO3)[n-]2)o1 ZINC000160315719 206290235 /nfs/dbraw/zinc/29/02/35/206290235.db2.gz WIARRLAEEXXGLG-NSHDSACASA-N -1 3 336.417 2.614 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSC[C@@H]3CCCCO3)n2)o1 ZINC000160315719 206290240 /nfs/dbraw/zinc/29/02/40/206290240.db2.gz WIARRLAEEXXGLG-NSHDSACASA-N -1 3 336.417 2.614 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CSC[C@@H]3CCCCO3)n[n-]2)o1 ZINC000160315719 206290244 /nfs/dbraw/zinc/29/02/44/206290244.db2.gz WIARRLAEEXXGLG-NSHDSACASA-N -1 3 336.417 2.614 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000160760832 206312664 /nfs/dbraw/zinc/31/26/64/206312664.db2.gz MLFDVAUWEDWVTA-UHFFFAOYSA-N -1 3 342.443 2.740 20 70 EFIDHM CCc1ncsc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000160925544 206318702 /nfs/dbraw/zinc/31/87/02/206318702.db2.gz NTKCYPDKRVLMJB-UHFFFAOYSA-N -1 3 339.442 2.638 20 70 EFIDHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000161470004 206350447 /nfs/dbraw/zinc/35/04/47/206350447.db2.gz GTWJYZOBBWNTJB-UHFFFAOYSA-N -1 3 340.470 2.854 20 70 EFIDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(C)(C)CO)c1Cl ZINC000160350374 544805508 /nfs/dbraw/zinc/80/55/08/544805508.db2.gz JRPMZAVNJRHGFF-UHFFFAOYSA-N -1 3 340.272 2.907 20 70 EFIDHM COc1ccsc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000159394210 544794717 /nfs/dbraw/zinc/79/47/17/544794717.db2.gz GGUUDRSBTKJXQL-UHFFFAOYSA-N -1 3 333.475 2.771 20 70 EFIDHM CC(C)OC1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000159486015 544796280 /nfs/dbraw/zinc/79/62/80/544796280.db2.gz BJFYIPRPWALLGF-UHFFFAOYSA-N -1 3 328.412 2.994 20 70 EFIDHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000160963595 310704561 /nfs/dbraw/zinc/70/45/61/310704561.db2.gz RQBMEGKJLDCJET-UHFFFAOYSA-N -1 3 337.351 2.793 20 70 EFIDHM Cc1ccccc1OCC[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000161021408 473200254 /nfs/dbraw/zinc/20/02/54/473200254.db2.gz HFDJJICCCYCYHR-UHFFFAOYSA-N -1 3 341.379 2.772 20 70 EFIDHM CCCCCOCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161134650 473210197 /nfs/dbraw/zinc/21/01/97/473210197.db2.gz KDNFYICQYVOFCZ-UHFFFAOYSA-N -1 3 329.400 2.891 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)c3cccnc3)c[n-]c12 ZINC000159543477 473037645 /nfs/dbraw/zinc/03/76/45/473037645.db2.gz ORPSLVFJPWGECS-NSHDSACASA-N -1 3 325.343 2.862 20 70 EFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1nccs1 ZINC000159962769 473076225 /nfs/dbraw/zinc/07/62/25/473076225.db2.gz VPLWJFYMBSCBFT-ZWNOBZJWSA-N -1 3 338.454 2.896 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(Cc4ccccc4)c3)[n-]2)o1 ZINC000160167360 473091911 /nfs/dbraw/zinc/09/19/11/473091911.db2.gz PJUGRVLBJMQKAB-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(Cc4ccccc4)c3)n2)o1 ZINC000160167360 473091918 /nfs/dbraw/zinc/09/19/18/473091918.db2.gz PJUGRVLBJMQKAB-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(Cc4ccccc4)c3)n[n-]2)o1 ZINC000160167360 473091925 /nfs/dbraw/zinc/09/19/25/473091925.db2.gz PJUGRVLBJMQKAB-UHFFFAOYSA-N -1 3 348.366 2.870 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)[n-]2)o1 ZINC000160211216 473096889 /nfs/dbraw/zinc/09/68/89/473096889.db2.gz AZIYWKVGWNGQGM-HNNXBMFYSA-N -1 3 338.367 2.932 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)n2)o1 ZINC000160211216 473096895 /nfs/dbraw/zinc/09/68/95/473096895.db2.gz AZIYWKVGWNGQGM-HNNXBMFYSA-N -1 3 338.367 2.932 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)n[n-]2)o1 ZINC000160211216 473096900 /nfs/dbraw/zinc/09/69/00/473096900.db2.gz AZIYWKVGWNGQGM-HNNXBMFYSA-N -1 3 338.367 2.932 20 70 EFIDHM COc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc(OC)c1[O-] ZINC000160286807 473104900 /nfs/dbraw/zinc/10/49/00/473104900.db2.gz HZFOSEXXHBTUFX-GWCFXTLKSA-N -1 3 349.333 2.974 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccncc3Br)[n-]2)o1 ZINC000160330597 473110141 /nfs/dbraw/zinc/11/01/41/473110141.db2.gz KEXOWRJMUNCECG-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccncc3Br)n2)o1 ZINC000160330597 473110144 /nfs/dbraw/zinc/11/01/44/473110144.db2.gz KEXOWRJMUNCECG-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3ccncc3Br)n[n-]2)o1 ZINC000160330597 473110149 /nfs/dbraw/zinc/11/01/49/473110149.db2.gz KEXOWRJMUNCECG-UHFFFAOYSA-N -1 3 348.160 2.783 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCc3ccccn3)c[n-]c12 ZINC000160492936 473133078 /nfs/dbraw/zinc/13/30/78/473133078.db2.gz QEEXBCNMOKBVMI-UHFFFAOYSA-N -1 3 339.370 2.685 20 70 EFIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 ZINC000160607070 473151327 /nfs/dbraw/zinc/15/13/27/473151327.db2.gz AACGXXCUFCNPBW-AWEZNQCLSA-N -1 3 340.427 2.595 20 70 EFIDHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000160683945 473160101 /nfs/dbraw/zinc/16/01/01/473160101.db2.gz MHEQQZZRKYZNFJ-SFHVURJKSA-N -1 3 339.439 2.910 20 70 EFIDHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000160681804 473160181 /nfs/dbraw/zinc/16/01/81/473160181.db2.gz GWGAUPJHMLVNSN-LRDDRELGSA-N -1 3 347.427 2.980 20 70 EFIDHM COc1ccccc1-c1nc(NC(=O)c2ccnn2C(C)C)n[n-]1 ZINC000160881520 473186563 /nfs/dbraw/zinc/18/65/63/473186563.db2.gz HNONMHPQOJSTIQ-UHFFFAOYSA-N -1 3 326.360 2.510 20 70 EFIDHM CCCCn1ncc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1C ZINC000160867406 529101458 /nfs/dbraw/zinc/10/14/58/529101458.db2.gz MPVKRFPCMPYYGR-UHFFFAOYSA-N -1 3 328.376 2.930 20 70 EFIDHM CCCCn1ncc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1C ZINC000160867406 529101463 /nfs/dbraw/zinc/10/14/63/529101463.db2.gz MPVKRFPCMPYYGR-UHFFFAOYSA-N -1 3 328.376 2.930 20 70 EFIDHM CCCCn1ncc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1C ZINC000160867406 529101467 /nfs/dbraw/zinc/10/14/67/529101467.db2.gz MPVKRFPCMPYYGR-UHFFFAOYSA-N -1 3 328.376 2.930 20 70 EFIDHM CCc1cc2c(CN(C)C[C@@H]3CCC[C@@H]3O)cc(=O)oc2cc1[O-] ZINC000159832436 529570086 /nfs/dbraw/zinc/57/00/86/529570086.db2.gz ZPGFNPMYSQVBTO-BBRMVZONSA-N -1 3 331.412 2.654 20 70 EFIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1CC ZINC000160045988 529699040 /nfs/dbraw/zinc/69/90/40/529699040.db2.gz DTMCFACIKAGQGZ-UHFFFAOYSA-N -1 3 346.452 2.640 20 70 EFIDHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000159782788 533348786 /nfs/dbraw/zinc/34/87/86/533348786.db2.gz DWCYAAYLXZWCDD-RHSMWYFYSA-N -1 3 347.436 2.624 20 70 EFIDHM COc1ccc(CNC(=O)c2ccc(C)c(C)c2[O-])cc1NC(C)=O ZINC000160341208 533648265 /nfs/dbraw/zinc/64/82/65/533648265.db2.gz SJNULCDCRUSCJU-UHFFFAOYSA-N -1 3 342.395 2.906 20 70 EFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000159857328 225292505 /nfs/dbraw/zinc/29/25/05/225292505.db2.gz NBNYWGRQFZJJBF-QMMMGPOBSA-N -1 3 346.811 2.993 20 70 EFIDHM CC(C)CC1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC000161038084 544809922 /nfs/dbraw/zinc/80/99/22/544809922.db2.gz GGEAQCMBUYGQBN-UHFFFAOYSA-N -1 3 344.455 2.893 20 70 EFIDHM COc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(OC)c1[O-] ZINC000161301993 544812145 /nfs/dbraw/zinc/81/21/45/544812145.db2.gz XCBHQTNMBKEXEM-CQSZACIVSA-N -1 3 328.368 2.782 20 70 EFIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000159370083 544795310 /nfs/dbraw/zinc/79/53/10/544795310.db2.gz WZHVNHFZQSQPAY-UHFFFAOYSA-N -1 3 333.400 2.979 20 70 EFIDHM Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000161223988 473218527 /nfs/dbraw/zinc/21/85/27/473218527.db2.gz DUDJQNMSTSRJMV-UHFFFAOYSA-N -1 3 343.305 2.779 20 70 EFIDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000161459976 473237069 /nfs/dbraw/zinc/23/70/69/473237069.db2.gz NWPQOLXPHLNTLA-BQBZGAKWSA-N -1 3 332.232 2.844 20 70 EFIDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000161459976 473237071 /nfs/dbraw/zinc/23/70/71/473237071.db2.gz NWPQOLXPHLNTLA-BQBZGAKWSA-N -1 3 332.232 2.844 20 70 EFIDHM CSc1nsc([N-]C(=O)c2ccncc2Br)n1 ZINC000159604939 473042944 /nfs/dbraw/zinc/04/29/44/473042944.db2.gz KTZOOOHEPNODKO-UHFFFAOYSA-N -1 3 331.220 2.670 20 70 EFIDHM CC[C@H](C)c1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)on1 ZINC000159723364 473054587 /nfs/dbraw/zinc/05/45/87/473054587.db2.gz CRIKYVLFQCSZKN-JTQLQIEISA-N -1 3 337.401 2.812 20 70 EFIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1CC ZINC000160176839 473093617 /nfs/dbraw/zinc/09/36/17/473093617.db2.gz ZZXPGVZWDYVHFG-UHFFFAOYSA-N -1 3 349.452 2.983 20 70 EFIDHM COc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160328813 473109886 /nfs/dbraw/zinc/10/98/86/473109886.db2.gz UKZHBQJYJZFPLI-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM COc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160328813 473109894 /nfs/dbraw/zinc/10/98/94/473109894.db2.gz UKZHBQJYJZFPLI-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160328813 473109900 /nfs/dbraw/zinc/10/99/00/473109900.db2.gz UKZHBQJYJZFPLI-UHFFFAOYSA-N -1 3 342.355 2.572 20 70 EFIDHM O=S(=O)([N-]CC1(CO)CCCC1)c1cccc(Cl)c1Cl ZINC000160342596 473110697 /nfs/dbraw/zinc/11/06/97/473110697.db2.gz ORHPBPHOIOOTFY-UHFFFAOYSA-N -1 3 338.256 2.824 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cn(-c4ccc(C)cc4)nn3)[n-]2)o1 ZINC000160395199 473117192 /nfs/dbraw/zinc/11/71/92/473117192.db2.gz CDMUGOUMNTUWRP-UHFFFAOYSA-N -1 3 349.354 2.515 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn(-c4ccc(C)cc4)nn3)n2)o1 ZINC000160395199 473117197 /nfs/dbraw/zinc/11/71/97/473117197.db2.gz CDMUGOUMNTUWRP-UHFFFAOYSA-N -1 3 349.354 2.515 20 70 EFIDHM COCCOc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160409624 473120308 /nfs/dbraw/zinc/12/03/08/473120308.db2.gz FAORSJSXXDJKKR-UHFFFAOYSA-N -1 3 342.355 2.651 20 70 EFIDHM COCCOc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160409624 473120313 /nfs/dbraw/zinc/12/03/13/473120313.db2.gz FAORSJSXXDJKKR-UHFFFAOYSA-N -1 3 342.355 2.651 20 70 EFIDHM COCCOc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160409624 473120316 /nfs/dbraw/zinc/12/03/16/473120316.db2.gz FAORSJSXXDJKKR-UHFFFAOYSA-N -1 3 342.355 2.651 20 70 EFIDHM COc1cc(C(=O)N(C)Cc2cccc(N(C)C)c2)cc(OC)c1[O-] ZINC000160611296 473150588 /nfs/dbraw/zinc/15/05/88/473150588.db2.gz RMDGHIDSYVDESA-UHFFFAOYSA-N -1 3 344.411 2.748 20 70 EFIDHM Cc1nc(N2CCN(C(=O)c3cccc(C)c3[O-])CC2)sc1C ZINC000160697857 473163389 /nfs/dbraw/zinc/16/33/89/473163389.db2.gz JOLUIMOZFGXJLU-UHFFFAOYSA-N -1 3 331.441 2.736 20 70 EFIDHM COc1ccc(O)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000160705234 473163658 /nfs/dbraw/zinc/16/36/58/473163658.db2.gz VYLKFCJWVHPYPQ-UHFFFAOYSA-N -1 3 342.326 2.942 20 70 EFIDHM COc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1[O-] ZINC000160803223 473177281 /nfs/dbraw/zinc/17/72/81/473177281.db2.gz BJYAYWOMCJMBEC-UHFFFAOYSA-N -1 3 340.379 2.863 20 70 EFIDHM COc1ccc(C(C)(C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000160805739 473177296 /nfs/dbraw/zinc/17/72/96/473177296.db2.gz FSVYZCHOKQHGAM-UHFFFAOYSA-N -1 3 328.294 2.748 20 70 EFIDHM COc1ccc(C(C)(C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000160805739 473177302 /nfs/dbraw/zinc/17/73/02/473177302.db2.gz FSVYZCHOKQHGAM-UHFFFAOYSA-N -1 3 328.294 2.748 20 70 EFIDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)cccc3F)ccc21 ZINC000160826803 473179654 /nfs/dbraw/zinc/17/96/54/473179654.db2.gz BUIDZLWVYXHOKW-UHFFFAOYSA-N -1 3 348.399 2.844 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3c(C)noc3Cl)[n-]2)o1 ZINC000160233542 534225220 /nfs/dbraw/zinc/22/52/20/534225220.db2.gz OUIJPILBKMVTNK-UHFFFAOYSA-N -1 3 335.751 2.894 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3c(C)noc3Cl)n2)o1 ZINC000160233542 534225226 /nfs/dbraw/zinc/22/52/26/534225226.db2.gz OUIJPILBKMVTNK-UHFFFAOYSA-N -1 3 335.751 2.894 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)noc3Cl)n[n-]2)o1 ZINC000160233542 534225231 /nfs/dbraw/zinc/22/52/31/534225231.db2.gz OUIJPILBKMVTNK-UHFFFAOYSA-N -1 3 335.751 2.894 20 70 EFIDHM CC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccc(F)cc1F ZINC000159618290 529198708 /nfs/dbraw/zinc/19/87/08/529198708.db2.gz AZWSVRNDRZLVJB-LLVKDONJSA-N -1 3 349.790 2.781 20 70 EFIDHM CC[C@@H](O)CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000160874068 529223285 /nfs/dbraw/zinc/22/32/85/529223285.db2.gz UZVSJCBQFGKUIC-OAHLLOKOSA-N -1 3 329.396 2.862 20 70 EFIDHM COC(=O)C1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC1 ZINC000161195671 533292298 /nfs/dbraw/zinc/29/22/98/533292298.db2.gz MFRAVKLWYFVUSF-UHFFFAOYSA-N -1 3 342.395 2.582 20 70 EFIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000160104341 225338147 /nfs/dbraw/zinc/33/81/47/225338147.db2.gz DFUABNILANLHGE-HNNXBMFYSA-N -1 3 343.402 3.000 20 70 EFIDHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1C ZINC000160112989 225339881 /nfs/dbraw/zinc/33/98/81/225339881.db2.gz JPNPAQHUADJBFG-CYBMUJFWSA-N -1 3 334.416 2.748 20 70 EFIDHM CCn1cnnc1-c1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000160200786 225360600 /nfs/dbraw/zinc/36/06/00/225360600.db2.gz LBMWIYAQEZXSEY-CQSZACIVSA-N -1 3 331.376 2.545 20 70 EFIDHM CCn1cnnc1-c1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000160200786 225360605 /nfs/dbraw/zinc/36/06/05/225360605.db2.gz LBMWIYAQEZXSEY-CQSZACIVSA-N -1 3 331.376 2.545 20 70 EFIDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@]1(O)CCSC1 ZINC000159396401 544795055 /nfs/dbraw/zinc/79/50/55/544795055.db2.gz POFDEIVHISLYOE-SFHVURJKSA-N -1 3 329.421 2.790 20 70 EFIDHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(F)cc1Cl ZINC000159576237 473040609 /nfs/dbraw/zinc/04/06/09/473040609.db2.gz IXQSSROYWFKABG-ZDUSSCGKSA-N -1 3 335.828 2.699 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3ccc(C)cc32)c1 ZINC000160134542 473089690 /nfs/dbraw/zinc/08/96/90/473089690.db2.gz ZANREIDTYIRBHV-HNNXBMFYSA-N -1 3 326.352 2.523 20 70 EFIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3ccc(C)cc32)c1 ZINC000160134437 473089869 /nfs/dbraw/zinc/08/98/69/473089869.db2.gz ZANREIDTYIRBHV-OAHLLOKOSA-N -1 3 326.352 2.523 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)n(C(C)(C)C)n3)[n-]2)o1 ZINC000160179079 473093552 /nfs/dbraw/zinc/09/35/52/473093552.db2.gz QNPAOWYELAWJGU-UHFFFAOYSA-N -1 3 328.376 2.885 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)n(C(C)(C)C)n3)n2)o1 ZINC000160179079 473093556 /nfs/dbraw/zinc/09/35/56/473093556.db2.gz QNPAOWYELAWJGU-UHFFFAOYSA-N -1 3 328.376 2.885 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(C(C)(C)C)n3)n[n-]2)o1 ZINC000160179079 473093561 /nfs/dbraw/zinc/09/35/61/473093561.db2.gz QNPAOWYELAWJGU-UHFFFAOYSA-N -1 3 328.376 2.885 20 70 EFIDHM CC(=O)Nc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160184419 473095318 /nfs/dbraw/zinc/09/53/18/473095318.db2.gz BDOJTVKIYQSFIL-UHFFFAOYSA-N -1 3 339.355 2.513 20 70 EFIDHM CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160184419 473095324 /nfs/dbraw/zinc/09/53/24/473095324.db2.gz BDOJTVKIYQSFIL-UHFFFAOYSA-N -1 3 339.355 2.513 20 70 EFIDHM CC(=O)Nc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160184419 473095329 /nfs/dbraw/zinc/09/53/29/473095329.db2.gz BDOJTVKIYQSFIL-UHFFFAOYSA-N -1 3 339.355 2.513 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(=O)[nH]c4ccccc43)[n-]2)o1 ZINC000160225296 473097996 /nfs/dbraw/zinc/09/79/96/473097996.db2.gz AXVBVOVGINUUPV-UHFFFAOYSA-N -1 3 335.323 2.879 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(=O)[nH]c4ccccc43)n2)o1 ZINC000160225296 473098004 /nfs/dbraw/zinc/09/80/04/473098004.db2.gz AXVBVOVGINUUPV-UHFFFAOYSA-N -1 3 335.323 2.879 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(=O)[nH]c4ccccc43)n[n-]2)o1 ZINC000160225296 473098013 /nfs/dbraw/zinc/09/80/13/473098013.db2.gz AXVBVOVGINUUPV-UHFFFAOYSA-N -1 3 335.323 2.879 20 70 EFIDHM COc1cc(C)ccc1OCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160257101 473102025 /nfs/dbraw/zinc/10/20/25/473102025.db2.gz SZGNRCXQXRVCSF-UHFFFAOYSA-N -1 3 342.355 2.708 20 70 EFIDHM COc1cc(C)ccc1OCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160257101 473102031 /nfs/dbraw/zinc/10/20/31/473102031.db2.gz SZGNRCXQXRVCSF-UHFFFAOYSA-N -1 3 342.355 2.708 20 70 EFIDHM COc1cc(C)ccc1OCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160257101 473102039 /nfs/dbraw/zinc/10/20/39/473102039.db2.gz SZGNRCXQXRVCSF-UHFFFAOYSA-N -1 3 342.355 2.708 20 70 EFIDHM Cc1ccc(-c2nc([N-]C(=O)c3occc3Br)n[nH]2)o1 ZINC000160346899 473111142 /nfs/dbraw/zinc/11/11/42/473111142.db2.gz PLOXSYBDSYESSR-UHFFFAOYSA-N -1 3 337.133 2.981 20 70 EFIDHM Cc1ccc(-c2nnc(NC(=O)COCCc3ccccc3)[n-]2)o1 ZINC000160355724 473111255 /nfs/dbraw/zinc/11/12/55/473111255.db2.gz LMJUFOFZPLQJCY-UHFFFAOYSA-N -1 3 326.356 2.571 20 70 EFIDHM Cc1ccc(-c2n[n-]c(NC(=O)COCCc3ccccc3)n2)o1 ZINC000160355724 473111257 /nfs/dbraw/zinc/11/12/57/473111257.db2.gz LMJUFOFZPLQJCY-UHFFFAOYSA-N -1 3 326.356 2.571 20 70 EFIDHM Cc1ccc(-c2nc(NC(=O)COCCc3ccccc3)n[n-]2)o1 ZINC000160355724 473111266 /nfs/dbraw/zinc/11/12/66/473111266.db2.gz LMJUFOFZPLQJCY-UHFFFAOYSA-N -1 3 326.356 2.571 20 70 EFIDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@H](C4CC4)C3)nc2)n1 ZINC000160401863 473117953 /nfs/dbraw/zinc/11/79/53/473117953.db2.gz VENYRHKPQUZXEE-HOTGVXAUSA-N -1 3 340.427 2.764 20 70 EFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(OC)c(OC)cc2C)n1 ZINC000160565296 473143365 /nfs/dbraw/zinc/14/33/65/473143365.db2.gz SRFRJQZGZUTROW-UHFFFAOYSA-N -1 3 331.416 2.702 20 70 EFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)c[n-]c12 ZINC000159386980 533846630 /nfs/dbraw/zinc/84/66/30/533846630.db2.gz 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/nfs/dbraw/zinc/69/01/31/310690131.db2.gz CPUUXXHAYZCAIX-UHFFFAOYSA-N -1 3 334.397 2.997 20 70 EFIDHM CCOc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1OC ZINC000160753585 310702316 /nfs/dbraw/zinc/70/23/16/310702316.db2.gz RZDFQVDFFDGRMV-VQHVLOKHSA-N -1 3 328.368 2.750 20 70 EFIDHM Cc1csc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000161202355 473216834 /nfs/dbraw/zinc/21/68/34/473216834.db2.gz FGLOSNDUCUFHCL-UHFFFAOYSA-N -1 3 331.372 2.671 20 70 EFIDHM CN1CCc2nc([N-]C(=O)c3c(F)ccc(F)c3F)sc2C1 ZINC000161272212 473222904 /nfs/dbraw/zinc/22/29/04/473222904.db2.gz JISXZJMJTXVFEA-UHFFFAOYSA-N -1 3 327.331 2.801 20 70 EFIDHM CC1CCN(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000161410862 473233761 /nfs/dbraw/zinc/23/37/61/473233761.db2.gz KOEDIAQBAWKCOV-UHFFFAOYSA-N -1 3 344.455 2.545 20 70 EFIDHM Cc1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1F ZINC000159601346 473042521 /nfs/dbraw/zinc/04/25/21/473042521.db2.gz HMWGHEIPRQTJFM-UHFFFAOYSA-N -1 3 345.374 2.781 20 70 EFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cccc(Cl)c1Cl 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COc1ccc(OC)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160416557 473121210 /nfs/dbraw/zinc/12/12/10/473121210.db2.gz NURVMGTYKLURDP-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160416557 473121216 /nfs/dbraw/zinc/12/12/16/473121216.db2.gz NURVMGTYKLURDP-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM COc1ccc(OC)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160416557 473121221 /nfs/dbraw/zinc/12/12/21/473121221.db2.gz NURVMGTYKLURDP-UHFFFAOYSA-N -1 3 328.328 2.643 20 70 EFIDHM CC(C)[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000160487794 473132598 /nfs/dbraw/zinc/13/25/98/473132598.db2.gz ISQNLIVXQCTXKY-OAHLLOKOSA-N -1 3 344.411 2.624 20 70 EFIDHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@@H]1n1ccnc1 ZINC000160962440 473195238 /nfs/dbraw/zinc/19/52/38/473195238.db2.gz WJPOVGGVOSKMOE-WBMJQRKESA-N -1 3 333.819 2.894 20 70 EFIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000160216749 528975411 /nfs/dbraw/zinc/97/54/11/528975411.db2.gz 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