smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737501934 945083636 /nfs/dbraw/zinc/08/36/36/945083636.db2.gz WPHWSVVNACZHQY-UHFFFAOYSA-N -2 3 399.845 0.908 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737501934 945083645 /nfs/dbraw/zinc/08/36/45/945083645.db2.gz WPHWSVVNACZHQY-UHFFFAOYSA-N -2 3 399.845 0.908 20 50 GCGDHL O=C(COc1cccc(-c2nnn[n-]2)c1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737924234 945155563 /nfs/dbraw/zinc/15/55/63/945155563.db2.gz DHFXKOLSIZPLJD-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(COc1cccc(-c2nn[n-]n2)c1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737924234 945155565 /nfs/dbraw/zinc/15/55/65/945155565.db2.gz DHFXKOLSIZPLJD-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(COc1ccccc1-c1nnn[n-]1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737931230 945158197 /nfs/dbraw/zinc/15/81/97/945158197.db2.gz SALSOOJUOKLAES-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(COc1ccccc1-c1nn[n-]n1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737931230 945158202 /nfs/dbraw/zinc/15/82/02/945158202.db2.gz SALSOOJUOKLAES-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134880 945225485 /nfs/dbraw/zinc/22/54/85/945225485.db2.gz XJXVQWPRXPCIAY-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134880 945225493 /nfs/dbraw/zinc/22/54/93/945225493.db2.gz XJXVQWPRXPCIAY-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL CC(C)c1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000820187667 945368580 /nfs/dbraw/zinc/36/85/80/945368580.db2.gz LZGJIQFDPXMZOX-UHFFFAOYSA-N -2 3 384.400 0.564 20 50 GCGDHL CC(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735496057 944665876 /nfs/dbraw/zinc/66/58/76/944665876.db2.gz UKWSJZIZVHJEBA-UHFFFAOYSA-N -2 3 386.393 0.971 20 50 GCGDHL CCOC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nc1C ZINC000736603055 944853795 /nfs/dbraw/zinc/85/37/95/944853795.db2.gz SBAYVVUNJYYCEY-UHFFFAOYSA-N -2 3 395.379 0.822 20 50 GCGDHL CCOC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nc1C ZINC000736603055 944853798 /nfs/dbraw/zinc/85/37/98/944853798.db2.gz SBAYVVUNJYYCEY-UHFFFAOYSA-N -2 3 395.379 0.822 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737114497 944961722 /nfs/dbraw/zinc/96/17/22/944961722.db2.gz GNBUJUQKJUPDAT-UHFFFAOYSA-N -2 3 392.372 0.638 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737114497 944961727 /nfs/dbraw/zinc/96/17/27/944961727.db2.gz GNBUJUQKJUPDAT-UHFFFAOYSA-N -2 3 392.372 0.638 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737114479 944962273 /nfs/dbraw/zinc/96/22/73/944962273.db2.gz GFCJPYMDQSCNKG-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737114479 944962280 /nfs/dbraw/zinc/96/22/80/944962280.db2.gz GFCJPYMDQSCNKG-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737138224 944966380 /nfs/dbraw/zinc/96/63/80/944966380.db2.gz LPDLBVPYVQHKFN-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737137740 944966449 /nfs/dbraw/zinc/96/64/49/944966449.db2.gz IXPVQUJDBAPACL-UHFFFAOYSA-N -2 3 392.372 0.638 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)cnc1Cl ZINC000737282252 945030562 /nfs/dbraw/zinc/03/05/62/945030562.db2.gz DHZQPENQCLVDDC-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000737282252 945030572 /nfs/dbraw/zinc/03/05/72/945030572.db2.gz DHZQPENQCLVDDC-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737370565 945051666 /nfs/dbraw/zinc/05/16/66/945051666.db2.gz SBSDBSYVQVTGLZ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737370565 945051675 /nfs/dbraw/zinc/05/16/75/945051675.db2.gz SBSDBSYVQVTGLZ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cccc(-n2cc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)nn2)c1 ZINC000737381398 945053220 /nfs/dbraw/zinc/05/32/20/945053220.db2.gz HBRPVLNKWHQYNG-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cccc(-n2cc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)nn2)c1 ZINC000737381398 945053226 /nfs/dbraw/zinc/05/32/26/945053226.db2.gz HBRPVLNKWHQYNG-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL COc1ccc(NC(=S)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821836062 945883039 /nfs/dbraw/zinc/88/30/39/945883039.db2.gz ZMNLPJYFTMYLJR-UHFFFAOYSA-N -2 3 376.427 0.963 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)n[nH]1 ZINC000822176588 945971289 /nfs/dbraw/zinc/97/12/89/945971289.db2.gz LSJZSEMQWHJNDE-UHFFFAOYSA-N -2 3 385.388 0.009 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n[nH]1 ZINC000822176588 945971293 /nfs/dbraw/zinc/97/12/93/945971293.db2.gz LSJZSEMQWHJNDE-UHFFFAOYSA-N -2 3 385.388 0.009 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)o1 ZINC000822226079 946003014 /nfs/dbraw/zinc/00/30/14/946003014.db2.gz BNDWRJQPAQKACK-UHFFFAOYSA-N -2 3 393.367 0.611 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)o1 ZINC000822226079 946003027 /nfs/dbraw/zinc/00/30/27/946003027.db2.gz BNDWRJQPAQKACK-UHFFFAOYSA-N -2 3 393.367 0.611 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@]2(C(=O)[O-])CCCO2)c1 ZINC001594075377 958217529 /nfs/dbraw/zinc/21/75/29/958217529.db2.gz NSTMVGAJYCTFSJ-CQSZACIVSA-N -2 3 387.186 0.853 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC001574193685 962856628 /nfs/dbraw/zinc/85/66/28/962856628.db2.gz BWBHGGZLFAMBNB-ZDUSSCGKSA-N -2 3 375.175 0.708 20 50 GCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C)c(C(=O)[O-])s1 ZINC000737682255 978430135 /nfs/dbraw/zinc/43/01/35/978430135.db2.gz YEVPGYIABUEEBB-UHFFFAOYSA-N -3 3 378.428 0.979 20 50 GCGDHL O=C([O-])C1(CNC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CCOCC1 ZINC000831062486 979025791 /nfs/dbraw/zinc/02/57/91/979025791.db2.gz KTWQCFVSUQBVJU-UHFFFAOYSA-N -2 3 387.396 0.698 20 50 GCGDHL COc1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC001599589965 993666274 /nfs/dbraw/zinc/66/62/74/993666274.db2.gz VXCPLZMNFUZCJR-UHFFFAOYSA-N -2 3 375.312 0.932 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c1 ZINC000831370872 601785825 /nfs/dbraw/zinc/78/58/25/601785825.db2.gz RMTHREGLRRJIME-UHFFFAOYSA-N -3 3 382.350 0.696 20 50 GCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826218433 607535507 /nfs/dbraw/zinc/53/55/07/607535507.db2.gz BPMIATMYQKZSAI-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826218433 607535508 /nfs/dbraw/zinc/53/55/08/607535508.db2.gz BPMIATMYQKZSAI-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826303992 607536305 /nfs/dbraw/zinc/53/63/05/607536305.db2.gz QEXXQSSOGQOAIO-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826303247 607536546 /nfs/dbraw/zinc/53/65/46/607536546.db2.gz GYHRYGMVTAPJTR-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826303247 607536548 /nfs/dbraw/zinc/53/65/48/607536548.db2.gz GYHRYGMVTAPJTR-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000823280627 606864693 /nfs/dbraw/zinc/86/46/93/606864693.db2.gz FAAUIMKXDNTHSR-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL CC(=NNC(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823948465 608094397 /nfs/dbraw/zinc/09/43/97/608094397.db2.gz OCMOFSYQKVRETJ-UHFFFAOYSA-N -2 3 393.414 0.157 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824114317 608206050 /nfs/dbraw/zinc/20/60/50/608206050.db2.gz OFRARLYNAISGAX-UHFFFAOYSA-N -2 3 395.445 0.994 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000824114327 608207825 /nfs/dbraw/zinc/20/78/25/608207825.db2.gz OMPZVDIWJJYXBZ-UHFFFAOYSA-N -2 3 395.445 0.994 20 50 GCGDHL C=CCOc1cccnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823931659 608459023 /nfs/dbraw/zinc/45/90/23/608459023.db2.gz CQKKMIYCZVFZQC-UHFFFAOYSA-N -2 3 395.379 0.667 20 50 GCGDHL Cc1nc(C)c(CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c(=O)[n-]1 ZINC000826324378 608578647 /nfs/dbraw/zinc/57/86/47/608578647.db2.gz OSMACAIJNLEIQI-UHFFFAOYSA-N -2 3 375.780 0.713 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(OCC(F)F)ccn1 ZINC000826445098 609316666 /nfs/dbraw/zinc/31/66/66/609316666.db2.gz GWKRTFGGBDZXTI-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(OCC(F)F)ccn1 ZINC000826445098 609316667 /nfs/dbraw/zinc/31/66/67/609316667.db2.gz GWKRTFGGBDZXTI-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)c1cn[nH]n1 ZINC000826445469 609382185 /nfs/dbraw/zinc/38/21/85/609382185.db2.gz VYYBALSZMKNXKK-UHFFFAOYSA-N -2 3 391.351 0.852 20 50 GCGDHL O=C([N-]NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)c1cn[nH]n1 ZINC000826445469 609382186 /nfs/dbraw/zinc/38/21/86/609382186.db2.gz VYYBALSZMKNXKK-UHFFFAOYSA-N -2 3 391.351 0.852 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-n2ccnc2)ccn1 ZINC000826445414 609458122 /nfs/dbraw/zinc/45/81/22/609458122.db2.gz SVQDTKOVVJBAKV-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-n2ccnc2)ccn1 ZINC000826445414 609458124 /nfs/dbraw/zinc/45/81/24/609458124.db2.gz SVQDTKOVVJBAKV-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL Cc1nnc(NNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)[n-]c1=O ZINC000737531802 945088165 /nfs/dbraw/zinc/08/81/65/945088165.db2.gz FFQGKSJDWLHGPM-UHFFFAOYSA-N -2 3 385.388 0.758 20 50 GCGDHL Cc1nnc(NNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)[n-]c1=O ZINC000737531802 945088175 /nfs/dbraw/zinc/08/81/75/945088175.db2.gz FFQGKSJDWLHGPM-UHFFFAOYSA-N -2 3 385.388 0.758 20 50 GCGDHL Cn1c(CC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)nc2ccccc21 ZINC000737593203 945099192 /nfs/dbraw/zinc/09/91/92/945099192.db2.gz ONULTRRKZBNPLN-UHFFFAOYSA-N -2 3 377.368 0.152 20 50 GCGDHL O=C(COc1ccccc1-c1nnn[n-]1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737932166 945159495 /nfs/dbraw/zinc/15/94/95/945159495.db2.gz SXRNEIUGHDDVLL-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(COc1ccccc1-c1nn[n-]n1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737932166 945159499 /nfs/dbraw/zinc/15/94/99/945159499.db2.gz SXRNEIUGHDDVLL-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C([N-]NC(=O)c1cc(Br)c[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738136184 945232306 /nfs/dbraw/zinc/23/23/06/945232306.db2.gz GWVFKUAOARXTFQ-UHFFFAOYSA-N -2 3 377.162 0.427 20 50 GCGDHL O=C([N-]NC(=O)c1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137692 945245205 /nfs/dbraw/zinc/24/52/05/945245205.db2.gz XVPHTDLFFDSIHI-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL CC(=NNC(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735448484 944657693 /nfs/dbraw/zinc/65/76/93/944657693.db2.gz RQMNJTAOBOTERN-UHFFFAOYSA-N -2 3 387.385 0.095 20 50 GCGDHL CC(=NNC(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735448484 944657699 /nfs/dbraw/zinc/65/76/99/944657699.db2.gz RQMNJTAOBOTERN-UHFFFAOYSA-N -2 3 387.385 0.095 20 50 GCGDHL CC(=O)c1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735499642 944667198 /nfs/dbraw/zinc/66/71/98/944667198.db2.gz QDFIQMDFQYTKLZ-UHFFFAOYSA-N -2 3 386.393 0.693 20 50 GCGDHL CC(=O)c1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735499642 944667206 /nfs/dbraw/zinc/66/72/06/944667206.db2.gz QDFIQMDFQYTKLZ-UHFFFAOYSA-N -2 3 386.393 0.693 20 50 GCGDHL CCc1nc2ccccc2n1CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736705077 944873659 /nfs/dbraw/zinc/87/36/59/944873659.db2.gz FCDVODJHFFKGMQ-UHFFFAOYSA-N -2 3 391.395 0.635 20 50 GCGDHL COCc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737021793 944933326 /nfs/dbraw/zinc/93/33/26/944933326.db2.gz BXEVKRVAZISONL-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737021793 944933329 /nfs/dbraw/zinc/93/33/29/944933329.db2.gz BXEVKRVAZISONL-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737139302 944966372 /nfs/dbraw/zinc/96/63/72/944966372.db2.gz VJHOWVWNNFDGES-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)c1cccc(C#N)c1 ZINC000737301944 945034483 /nfs/dbraw/zinc/03/44/83/945034483.db2.gz XQQHMOKCSPVMJS-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c(O)c1 ZINC000737313672 945037634 /nfs/dbraw/zinc/03/76/34/945037634.db2.gz XCDDEHOOGYRCHV-UHFFFAOYSA-N -2 3 388.409 0.812 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737369546 945051969 /nfs/dbraw/zinc/05/19/69/945051969.db2.gz IZJCXPCLVFEMNG-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737369546 945051980 /nfs/dbraw/zinc/05/19/80/945051980.db2.gz IZJCXPCLVFEMNG-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL CCC(CC)NC(=O)C(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820897460 945584585 /nfs/dbraw/zinc/58/45/85/945584585.db2.gz FZGCJSFMIMQNHN-UHFFFAOYSA-N -2 3 381.343 0.211 20 50 GCGDHL CS(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821936471 945906278 /nfs/dbraw/zinc/90/62/78/945906278.db2.gz ASHPRCPCDPUWLB-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL Cc1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822242357 946029230 /nfs/dbraw/zinc/02/92/30/946029230.db2.gz JECBHTQNUPXFPB-UHFFFAOYSA-N -2 3 385.409 0.945 20 50 GCGDHL O=C(COc1ccccc1O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823055186 946298837 /nfs/dbraw/zinc/29/88/37/946298837.db2.gz KHDVRPLWAGVOQI-UHFFFAOYSA-N -2 3 390.306 0.691 20 50 GCGDHL O=C([N-]NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273117 946371587 /nfs/dbraw/zinc/37/15/87/946371587.db2.gz DZIVGTNOCWZWGD-UHFFFAOYSA-N -2 3 399.440 0.396 20 50 GCGDHL Cn1ncc(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])c1I ZINC001594578774 955943836 /nfs/dbraw/zinc/94/38/36/955943836.db2.gz AHJPPRSAVOQLEZ-UHFFFAOYSA-N -2 3 387.137 0.875 20 50 GCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)c2cnn(-c3ccccc3)c2)c[nH]1 ZINC000733122917 978300230 /nfs/dbraw/zinc/30/02/30/978300230.db2.gz ILDFKSWRNGNUFM-UHFFFAOYSA-N -3 3 375.366 0.522 20 50 GCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000735460954 978302064 /nfs/dbraw/zinc/30/20/64/978302064.db2.gz BVVOTXDGUMGCTG-UHFFFAOYSA-N -3 3 376.753 0.534 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC000737688685 978430857 /nfs/dbraw/zinc/43/08/57/978430857.db2.gz NYIAZCCBJVWBLA-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL Cc1[nH]nc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c1C(=O)[O-] ZINC000738829818 978604633 /nfs/dbraw/zinc/60/46/33/978604633.db2.gz RKVZWCRAJTVZSP-UHFFFAOYSA-N -3 3 375.366 0.588 20 50 GCGDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)cc1 ZINC000739886658 978658186 /nfs/dbraw/zinc/65/81/86/978658186.db2.gz SOLLASFHEIOTDT-UHFFFAOYSA-N -3 3 397.434 0.115 20 50 GCGDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)c1cccs1 ZINC000757653432 978703387 /nfs/dbraw/zinc/70/33/87/978703387.db2.gz DQIWCNYNHNWEJS-UHFFFAOYSA-N -3 3 397.434 0.494 20 50 GCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1 ZINC000920832837 982693591 /nfs/dbraw/zinc/69/35/91/982693591.db2.gz FRBKWYWCEAHVQV-UHFFFAOYSA-N -3 3 399.450 0.947 20 50 GCGDHL COc1ccc(C(=O)[N-]NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC001599484562 996824722 /nfs/dbraw/zinc/82/47/22/996824722.db2.gz YEMQLTVGJCTROL-UHFFFAOYSA-N -2 3 386.426 0.913 20 50 GCGDHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC001599330011 997731955 /nfs/dbraw/zinc/73/19/55/997731955.db2.gz MQTNXUWCSVPTQP-UHFFFAOYSA-N -3 3 399.812 0.994 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)NC2CCCCC2)c1 ZINC001598963748 998378993 /nfs/dbraw/zinc/37/89/93/998378993.db2.gz NGUGIMVWFLDNFW-UHFFFAOYSA-N -3 3 399.425 0.997 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NC1CCCCC1 ZINC001598969145 998481491 /nfs/dbraw/zinc/48/14/91/998481491.db2.gz XYQQJHIKVJOROD-UHFFFAOYSA-N -3 3 399.425 0.997 20 50 GCGDHL O=C([N-][N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc2ccccc2o1 ZINC000823281115 606625393 /nfs/dbraw/zinc/62/53/93/606625393.db2.gz MMLDHSIMDRKAHC-UHFFFAOYSA-N -3 3 385.365 0.631 20 50 GCGDHL O=C([N-][N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc2ccccc2o1 ZINC000823281115 606625394 /nfs/dbraw/zinc/62/53/94/606625394.db2.gz MMLDHSIMDRKAHC-UHFFFAOYSA-N -3 3 385.365 0.631 20 50 GCGDHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826395992 607846373 /nfs/dbraw/zinc/84/63/73/607846373.db2.gz BKYDGSDMWMBKPO-UHFFFAOYSA-N -2 3 394.804 0.121 20 50 GCGDHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826395992 607846374 /nfs/dbraw/zinc/84/63/74/607846374.db2.gz BKYDGSDMWMBKPO-UHFFFAOYSA-N -2 3 394.804 0.121 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(OCC(F)F)n1 ZINC000826444951 608027704 /nfs/dbraw/zinc/02/77/04/608027704.db2.gz AGCQDTNNQBBCFH-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(OCC(F)F)n1 ZINC000826444951 608027705 /nfs/dbraw/zinc/02/77/05/608027705.db2.gz AGCQDTNNQBBCFH-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824108504 609397676 /nfs/dbraw/zinc/39/76/76/609397676.db2.gz HBUPMPYNRHWWQW-UHFFFAOYSA-N -2 3 397.342 0.431 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445020 609529044 /nfs/dbraw/zinc/52/90/44/609529044.db2.gz CZERBRLLVPMRCB-UHFFFAOYSA-N -2 3 388.413 0.023 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445020 609529046 /nfs/dbraw/zinc/52/90/46/609529046.db2.gz CZERBRLLVPMRCB-UHFFFAOYSA-N -2 3 388.413 0.023 20 50 GCGDHL Cc1ccn2ncc(C(=O)[N-]NC(=O)COc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737437869 945067357 /nfs/dbraw/zinc/06/73/57/945067357.db2.gz ZOHNJXOFFZKARH-UHFFFAOYSA-N -2 3 393.367 0.058 20 50 GCGDHL Cc1ncsc1C(=O)[N-]NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737500125 945085035 /nfs/dbraw/zinc/08/50/35/945085035.db2.gz OFVRSWXGCWLNAV-NYYWCZLTSA-N -2 3 397.424 0.647 20 50 GCGDHL Cn1cc(-c2ncc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)s2)cn1 ZINC000737592219 945099114 /nfs/dbraw/zinc/09/91/14/945099114.db2.gz LYTFAQKZQWLYIG-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL Cn1cc(-c2ncc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)s2)cn1 ZINC000737592219 945099116 /nfs/dbraw/zinc/09/91/16/945099116.db2.gz LYTFAQKZQWLYIG-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL Cn1cc(-c2nc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000737591557 945098385 /nfs/dbraw/zinc/09/83/85/945098385.db2.gz GZDCMMVPGHCQNC-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL Cn1cc(-c2nc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000737591557 945098390 /nfs/dbraw/zinc/09/83/90/945098390.db2.gz GZDCMMVPGHCQNC-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737723590 945118464 /nfs/dbraw/zinc/11/84/64/945118464.db2.gz XWPLJPBOWLWOQI-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737723590 945118467 /nfs/dbraw/zinc/11/84/67/945118467.db2.gz XWPLJPBOWLWOQI-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737766006 945122928 /nfs/dbraw/zinc/12/29/28/945122928.db2.gz RYTUPOADJSHOGL-UHFFFAOYSA-N -2 3 393.410 0.882 20 50 GCGDHL NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737766006 945122931 /nfs/dbraw/zinc/12/29/31/945122931.db2.gz RYTUPOADJSHOGL-UHFFFAOYSA-N -2 3 393.410 0.882 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134008 945214490 /nfs/dbraw/zinc/21/44/90/945214490.db2.gz CICJGJSGDAYLNU-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134008 945214495 /nfs/dbraw/zinc/21/44/95/945214495.db2.gz CICJGJSGDAYLNU-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(N2CCCCC2)n1 ZINC000738134922 945224766 /nfs/dbraw/zinc/22/47/66/945224766.db2.gz ZDFBDURKIWEMTR-UHFFFAOYSA-N -2 3 393.411 0.722 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(N2CCCCC2)n1 ZINC000738134922 945224769 /nfs/dbraw/zinc/22/47/69/945224769.db2.gz ZDFBDURKIWEMTR-UHFFFAOYSA-N -2 3 393.411 0.722 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c[nH]c2ncccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738134868 945225337 /nfs/dbraw/zinc/22/53/37/945225337.db2.gz WPZUVNYPILKYTF-UHFFFAOYSA-N -2 3 384.381 0.366 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-n2cccn2)ccn1 ZINC000738136078 945229437 /nfs/dbraw/zinc/22/94/37/945229437.db2.gz FEPDHPZHIZZQGX-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-n2cccn2)ccn1 ZINC000738136078 945229452 /nfs/dbraw/zinc/22/94/52/945229452.db2.gz FEPDHPZHIZZQGX-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCC2)nn1 ZINC000738136926 945240426 /nfs/dbraw/zinc/24/04/26/945240426.db2.gz QAQVBQGQWUUMTH-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2)nn1 ZINC000738136926 945240437 /nfs/dbraw/zinc/24/04/37/945240437.db2.gz QAQVBQGQWUUMTH-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)c1cn[nH]n1 ZINC000738137264 945241140 /nfs/dbraw/zinc/24/11/40/945241140.db2.gz STKSBMCBEKZRLA-UHFFFAOYSA-N -2 3 395.339 0.232 20 50 GCGDHL CC(C)c1n[nH]c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000820183743 945366430 /nfs/dbraw/zinc/36/64/30/945366430.db2.gz KBZPNCOVZPRYNO-UHFFFAOYSA-N -2 3 385.344 0.696 20 50 GCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1cccc(C#N)c1 ZINC000737225915 945015653 /nfs/dbraw/zinc/01/56/53/945015653.db2.gz VKVQHNMIKFABTR-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1ccc(C#N)cc1 ZINC000737225812 945015672 /nfs/dbraw/zinc/01/56/72/945015672.db2.gz SDWIHSOFYHARJU-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(O)c1 ZINC000737312363 945035174 /nfs/dbraw/zinc/03/51/74/945035174.db2.gz IJRPVFVBCZYULK-UHFFFAOYSA-N -2 3 388.409 0.812 20 50 GCGDHL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1 ZINC000737301770 945035255 /nfs/dbraw/zinc/03/52/55/945035255.db2.gz UAHFOUBCXMQQEZ-UHFFFAOYSA-N -2 3 377.386 0.461 20 50 GCGDHL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000821293631 945665136 /nfs/dbraw/zinc/66/51/36/945665136.db2.gz MKNLUZRNDGUWMX-UHFFFAOYSA-N -2 3 390.223 0.142 20 50 GCGDHL COc1cc(C)[n-]c(=NNC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)n1 ZINC000821713253 945845319 /nfs/dbraw/zinc/84/53/19/945845319.db2.gz SYMBWYPXTAZUQA-UHFFFAOYSA-N -2 3 389.401 0.553 20 50 GCGDHL COc1cc(C)[n-]c(=NNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000821713253 945845330 /nfs/dbraw/zinc/84/53/30/945845330.db2.gz SYMBWYPXTAZUQA-UHFFFAOYSA-N -2 3 389.401 0.553 20 50 GCGDHL COc1ccccc1-c1cc(C(=O)[N-]NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n[nH]1 ZINC000821877387 945890317 /nfs/dbraw/zinc/89/03/17/945890317.db2.gz IGRGLJWJDVEUDU-UHFFFAOYSA-N -2 3 393.367 0.668 20 50 GCGDHL Cc1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822034680 945957375 /nfs/dbraw/zinc/95/73/75/945957375.db2.gz JHINXVAKJDJHLZ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822034680 945957384 /nfs/dbraw/zinc/95/73/84/945957384.db2.gz JHINXVAKJDJHLZ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822690485 946157409 /nfs/dbraw/zinc/15/74/09/946157409.db2.gz ZMLPQGVSWPNHFJ-UHFFFAOYSA-N -2 3 383.340 0.107 20 50 GCGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822690485 946157414 /nfs/dbraw/zinc/15/74/14/946157414.db2.gz ZMLPQGVSWPNHFJ-UHFFFAOYSA-N -2 3 383.340 0.107 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823277412 946401422 /nfs/dbraw/zinc/40/14/22/946401422.db2.gz MDZKADJJSQFBFT-UHFFFAOYSA-N -2 3 381.381 0.788 20 50 GCGDHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[N-]C(=O)c1cnsn1 ZINC001574083404 948882278 /nfs/dbraw/zinc/88/22/78/948882278.db2.gz SFBXVBLVZFUKST-GFCCVEGCSA-N -2 3 388.413 0.583 20 50 GCGDHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[N-]C(=O)c1cnsn1 ZINC001574083404 948882289 /nfs/dbraw/zinc/88/22/89/948882289.db2.gz SFBXVBLVZFUKST-GFCCVEGCSA-N -2 3 388.413 0.583 20 50 GCGDHL O=C([O-])c1cnc(C(=O)NN=c2[n-]c(Br)cn3ccnc23)cn1 ZINC001595266403 949750805 /nfs/dbraw/zinc/75/08/05/949750805.db2.gz KYLAKAOKTJHGTH-UHFFFAOYSA-N -2 3 378.146 0.737 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@](C)(OC)C(=O)[O-])c1 ZINC001574193684 962857481 /nfs/dbraw/zinc/85/74/81/962857481.db2.gz BWBHGGZLFAMBNB-CYBMUJFWSA-N -2 3 375.175 0.708 20 50 GCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000737654803 978426735 /nfs/dbraw/zinc/42/67/35/978426735.db2.gz VLYDBDBNXCKEQI-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL COC(=O)c1sc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c(C(=O)[O-])c1C ZINC000737717280 978437888 /nfs/dbraw/zinc/43/78/88/978437888.db2.gz ADVXGEPARSKFKK-UHFFFAOYSA-N -3 3 376.412 0.651 20 50 GCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000737719156 978438792 /nfs/dbraw/zinc/43/87/92/978438792.db2.gz VXMGFPFJQYYLAZ-UHFFFAOYSA-N -3 3 385.379 0.251 20 50 GCGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)cn1 ZINC000739911644 978658586 /nfs/dbraw/zinc/65/85/86/978658586.db2.gz JLQQDWSQWKENPI-UHFFFAOYSA-N -3 3 375.366 0.139 20 50 GCGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590201654 989570007 /nfs/dbraw/zinc/57/00/07/989570007.db2.gz WOOUDMRWYZBFOV-UHFFFAOYSA-N -2 3 384.364 0.993 20 50 GCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599226507 997769486 /nfs/dbraw/zinc/76/94/86/997769486.db2.gz ABJIOKABIQDWBO-UHFFFAOYSA-N -3 3 385.851 0.937 20 50 GCGDHL O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)c1cnn(-c2ccccc2)c1 ZINC000833148421 601484278 /nfs/dbraw/zinc/48/42/78/601484278.db2.gz IZVFFGGVXYDVSN-UHFFFAOYSA-N -3 3 393.406 0.650 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c(OC)c1C(=O)[O-] ZINC000833734161 604861227 /nfs/dbraw/zinc/86/12/27/604861227.db2.gz LLGIONBRSIKOFU-UHFFFAOYSA-N -3 3 395.393 0.349 20 50 GCGDHL CC(C)(C)OC(=O)NCCC(=O)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000824114551 609247917 /nfs/dbraw/zinc/24/79/17/609247917.db2.gz XGXGJHJYBPFDTB-UHFFFAOYSA-N -2 3 381.418 0.604 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)Cc2noc(C)c2-c2nnn[n-]2)[n-]c1C ZINC000825565278 609471969 /nfs/dbraw/zinc/47/19/69/609471969.db2.gz PTMSTWPIHZTUSA-UHFFFAOYSA-N -2 3 387.360 0.124 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)Cc2noc(C)c2-c2nn[n-]n2)[n-]c1C ZINC000825565278 609471970 /nfs/dbraw/zinc/47/19/70/609471970.db2.gz PTMSTWPIHZTUSA-UHFFFAOYSA-N -2 3 387.360 0.124 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826331749 609529286 /nfs/dbraw/zinc/52/92/86/609529286.db2.gz WOUKXIBPTQXJQT-UHFFFAOYSA-N -2 3 399.845 0.908 20 50 GCGDHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737893664 945146804 /nfs/dbraw/zinc/14/68/04/945146804.db2.gz DGALFCCWAJSMAB-UHFFFAOYSA-N -2 3 378.356 0.867 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737986783 945170489 /nfs/dbraw/zinc/17/04/89/945170489.db2.gz OSDCNLAJGVEEMT-UHFFFAOYSA-N -2 3 397.420 0.831 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737987356 945172599 /nfs/dbraw/zinc/17/25/99/945172599.db2.gz XBNRAFNEDCPNHC-UHFFFAOYSA-N -2 3 397.420 0.831 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737987356 945172604 /nfs/dbraw/zinc/17/26/04/945172604.db2.gz XBNRAFNEDCPNHC-UHFFFAOYSA-N -2 3 397.420 0.831 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738133970 945214918 /nfs/dbraw/zinc/21/49/18/945214918.db2.gz ALHMXUBMRCMRRU-UHFFFAOYSA-N -2 3 393.342 0.661 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738133970 945214925 /nfs/dbraw/zinc/21/49/25/945214925.db2.gz ALHMXUBMRCMRRU-UHFFFAOYSA-N -2 3 393.342 0.661 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1 ZINC000738134702 945220916 /nfs/dbraw/zinc/22/09/16/945220916.db2.gz RDMBHOMTMNXBAA-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1 ZINC000738134702 945220925 /nfs/dbraw/zinc/22/09/25/945220925.db2.gz RDMBHOMTMNXBAA-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738135771 945226660 /nfs/dbraw/zinc/22/66/60/945226660.db2.gz BMWOCFJMNKQOAG-UHFFFAOYSA-N -2 3 375.352 0.727 20 50 GCGDHL O=C([O-])COc1cccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738208217 945255160 /nfs/dbraw/zinc/25/51/60/945255160.db2.gz KQEOGJQFIYJNER-UHFFFAOYSA-N -2 3 396.363 0.859 20 50 GCGDHL CC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735499689 944666553 /nfs/dbraw/zinc/66/65/53/944666553.db2.gz RTCUFTMJXJUVRB-UHFFFAOYSA-N -2 3 386.393 0.693 20 50 GCGDHL CC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735499689 944666560 /nfs/dbraw/zinc/66/65/60/944666560.db2.gz RTCUFTMJXJUVRB-UHFFFAOYSA-N -2 3 386.393 0.693 20 50 GCGDHL CCOC(=O)N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736600190 944851250 /nfs/dbraw/zinc/85/12/50/944851250.db2.gz KSQCWTHHYRWTJF-UHFFFAOYSA-N -2 3 380.308 0.825 20 50 GCGDHL CCOC(=O)N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736600190 944851253 /nfs/dbraw/zinc/85/12/53/944851253.db2.gz KSQCWTHHYRWTJF-UHFFFAOYSA-N -2 3 380.308 0.825 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737224973 945015400 /nfs/dbraw/zinc/01/54/00/945015400.db2.gz JTYMWFYNJCRTTI-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737255665 945021433 /nfs/dbraw/zinc/02/14/33/945021433.db2.gz BQRWKDUJRBKASM-UHFFFAOYSA-N -2 3 391.395 0.909 20 50 GCGDHL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737255665 945021445 /nfs/dbraw/zinc/02/14/45/945021445.db2.gz BQRWKDUJRBKASM-UHFFFAOYSA-N -2 3 391.395 0.909 20 50 GCGDHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC000737311647 945035236 /nfs/dbraw/zinc/03/52/36/945035236.db2.gz ADDDHCMTPQXOFC-UHFFFAOYSA-N -2 3 392.372 0.643 20 50 GCGDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000822645661 946144605 /nfs/dbraw/zinc/14/46/05/946144605.db2.gz JKUADNGBROGBLH-UHFFFAOYSA-N -3 3 393.367 0.171 20 50 GCGDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000822645661 946144609 /nfs/dbraw/zinc/14/46/09/946144609.db2.gz JKUADNGBROGBLH-UHFFFAOYSA-N -3 3 393.367 0.171 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277262 946399553 /nfs/dbraw/zinc/39/95/53/946399553.db2.gz INGHTRVJDUKELC-UHFFFAOYSA-N -3 3 396.392 0.894 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277262 946399563 /nfs/dbraw/zinc/39/95/63/946399563.db2.gz INGHTRVJDUKELC-UHFFFAOYSA-N -3 3 396.392 0.894 20 50 GCGDHL Nc1cccc([N+](=O)[O-])c1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826396278 948208644 /nfs/dbraw/zinc/20/86/44/948208644.db2.gz POTBQAPLHHUDNE-UHFFFAOYSA-N -2 3 398.339 0.197 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccn(C(F)F)n1 ZINC000826417272 948258630 /nfs/dbraw/zinc/25/86/30/948258630.db2.gz KOORRIXGNMQZQY-UHFFFAOYSA-N -2 3 378.299 0.298 20 50 GCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000826445321 948308534 /nfs/dbraw/zinc/30/85/34/948308534.db2.gz PFZRUUSOGMIPPN-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL O=C([N-]NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000826445321 948308540 /nfs/dbraw/zinc/30/85/40/948308540.db2.gz PFZRUUSOGMIPPN-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL CCn1nc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)c2ccccc2c1=O ZINC001593670788 953880644 /nfs/dbraw/zinc/88/06/44/953880644.db2.gz WIYQYPJKLVPQOK-UHFFFAOYSA-N -2 3 381.348 0.584 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594075127 958212904 /nfs/dbraw/zinc/21/29/04/958212904.db2.gz CTXMFABQEHCKEB-JTQLQIEISA-N -2 3 386.158 0.448 20 50 GCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(C(=O)[O-])s1 ZINC000737681509 978430025 /nfs/dbraw/zinc/43/00/25/978430025.db2.gz RIAHOHDZAXJYBH-UHFFFAOYSA-N -3 3 385.379 0.251 20 50 GCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CCC(C)C ZINC000737719335 978438786 /nfs/dbraw/zinc/43/87/86/978438786.db2.gz XWFNXDFHYZZRGX-UHFFFAOYSA-N -3 3 378.428 0.979 20 50 GCGDHL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1OC ZINC000737873124 978452372 /nfs/dbraw/zinc/45/23/72/978452372.db2.gz QJODDSVBCTUBPZ-VOTSOKGWSA-N -3 3 384.410 0.911 20 50 GCGDHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)cc1 ZINC000739739253 978652298 /nfs/dbraw/zinc/65/22/98/978652298.db2.gz NDONJXKHJAVNRE-UHFFFAOYSA-N -3 3 379.394 0.487 20 50 GCGDHL O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)NN=c2cccn[n-]2)cc1 ZINC000833261614 602092708 /nfs/dbraw/zinc/09/27/08/602092708.db2.gz DPGKQAZEJOULGP-UHFFFAOYSA-N -2 3 379.398 0.302 20 50 GCGDHL COc1ccccc1SCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826221059 608061515 /nfs/dbraw/zinc/06/15/15/608061515.db2.gz MZVWPJTZQHBQSL-UHFFFAOYSA-N -2 3 385.409 0.824 20 50 GCGDHL Cc1noc(C2CC2)c1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826339340 608143291 /nfs/dbraw/zinc/14/32/91/608143291.db2.gz AFPBAUBKWAPHRX-UHFFFAOYSA-N -2 3 383.368 0.881 20 50 GCGDHL CCn1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000825805165 608490259 /nfs/dbraw/zinc/49/02/59/608490259.db2.gz VQVJMIIHKJBNMO-UHFFFAOYSA-N -2 3 376.402 0.015 20 50 GCGDHL CCn1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825805165 608490260 /nfs/dbraw/zinc/49/02/60/608490260.db2.gz VQVJMIIHKJBNMO-UHFFFAOYSA-N -2 3 376.402 0.015 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2ccncc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260150 609182095 /nfs/dbraw/zinc/18/20/95/609182095.db2.gz YTGSGXLFWGTOCU-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2ccncc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260150 609182097 /nfs/dbraw/zinc/18/20/97/609182097.db2.gz YTGSGXLFWGTOCU-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826303965 609371814 /nfs/dbraw/zinc/37/18/14/609371814.db2.gz OZJHCKPNTCYAMM-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826303965 609371815 /nfs/dbraw/zinc/37/18/15/609371815.db2.gz OZJHCKPNTCYAMM-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824109813 609398156 /nfs/dbraw/zinc/39/81/56/609398156.db2.gz WHHOSVLUAHVTSJ-UHFFFAOYSA-N -2 3 396.795 0.201 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824109813 609398159 /nfs/dbraw/zinc/39/81/59/609398159.db2.gz WHHOSVLUAHVTSJ-UHFFFAOYSA-N -2 3 396.795 0.201 20 50 GCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826308217 609531470 /nfs/dbraw/zinc/53/14/70/609531470.db2.gz OOPQLGWYPFICLJ-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cccnc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259969 609537253 /nfs/dbraw/zinc/53/72/53/609537253.db2.gz OWAQREXTMZUDJL-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cccnc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259969 609537255 /nfs/dbraw/zinc/53/72/55/609537255.db2.gz OWAQREXTMZUDJL-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2ccc[nH]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259836 609537373 /nfs/dbraw/zinc/53/73/73/609537373.db2.gz IVRBQRUVYMFENJ-UHFFFAOYSA-N -2 3 377.368 0.764 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2ccc[nH]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259836 609537376 /nfs/dbraw/zinc/53/73/76/609537376.db2.gz IVRBQRUVYMFENJ-UHFFFAOYSA-N -2 3 377.368 0.764 20 50 GCGDHL Cc1ncc(Cl)c(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737493025 945081492 /nfs/dbraw/zinc/08/14/92/945081492.db2.gz WXAPYBCLVSOLQA-UHFFFAOYSA-N -2 3 388.775 0.459 20 50 GCGDHL N#Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737710891 945115019 /nfs/dbraw/zinc/11/50/19/945115019.db2.gz CVEOKMHMCGNYKD-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[N-]C(=O)c2ccccn2)cc1 ZINC000737776408 945123946 /nfs/dbraw/zinc/12/39/46/945123946.db2.gz MEZVFIUNZSZFLU-UHFFFAOYSA-N -2 3 390.367 0.104 20 50 GCGDHL Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[N-]C(=O)c2ccccn2)cc1 ZINC000737776408 945123951 /nfs/dbraw/zinc/12/39/51/945123951.db2.gz MEZVFIUNZSZFLU-UHFFFAOYSA-N -2 3 390.367 0.104 20 50 GCGDHL O=C(CCc1ccccc1O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737856696 945139211 /nfs/dbraw/zinc/13/92/11/945139211.db2.gz CADDYOYQZHWJLV-UHFFFAOYSA-N -2 3 388.409 0.515 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134661 945220462 /nfs/dbraw/zinc/22/04/62/945220462.db2.gz PYUXQRKVGIYNGV-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134661 945220468 /nfs/dbraw/zinc/22/04/68/945220468.db2.gz PYUXQRKVGIYNGV-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCC2)nn1 ZINC000738137732 945248728 /nfs/dbraw/zinc/24/87/28/945248728.db2.gz ZBOPWQARSZUPEI-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCC2)nn1 ZINC000738137732 945248733 /nfs/dbraw/zinc/24/87/33/945248733.db2.gz ZBOPWQARSZUPEI-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C(Cn1cnc2ccccc21)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823136043 946327813 /nfs/dbraw/zinc/32/78/13/946327813.db2.gz HJOVUEZVDCJICN-UHFFFAOYSA-N -2 3 398.333 0.956 20 50 GCGDHL O=C([N-]NC(=O)C1CCN(c2ncccn2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273833 946390361 /nfs/dbraw/zinc/39/03/61/946390361.db2.gz ZYJGXFZFMGTLBD-UHFFFAOYSA-N -2 3 399.440 0.396 20 50 GCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCc3nncn3C2)c1C ZINC000368315743 971549796 /nfs/dbraw/zinc/54/97/96/971549796.db2.gz JHPJYMHXOYYAJW-LLVKDONJSA-N -3 3 393.425 0.165 20 50 GCGDHL O=C([O-])CN1CCC[C@H](C(=O)N[N-]C(=O)c2ccccc2Br)C1=O ZINC001574719600 962754291 /nfs/dbraw/zinc/75/42/91/962754291.db2.gz MIFMDVJFHZMKNR-SNVBAGLBSA-N -2 3 398.213 0.533 20 50 GCGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000267009625 962764250 /nfs/dbraw/zinc/76/42/50/962764250.db2.gz GKDLMNCWQHTNEY-UHFFFAOYSA-N -3 3 379.822 0.876 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2ccco2)ccc1C(=O)[O-] ZINC000738479475 978545217 /nfs/dbraw/zinc/54/52/17/978545217.db2.gz MJODNZCKIWQZIK-UHFFFAOYSA-N -3 3 381.366 0.026 20 50 GCGDHL COc1cc(S(=O)(=O)[N-][N-]C(=O)c2n[nH]c3c2CCCC3)ccc1C(=O)[O-] ZINC001599459567 998248227 /nfs/dbraw/zinc/24/82/27/998248227.db2.gz GVDBDHIGJMQCQM-UHFFFAOYSA-N -3 3 394.409 0.619 20 50 GCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823277725 599558084 /nfs/dbraw/zinc/55/80/84/599558084.db2.gz VGIQQKSNKKEEMF-UHFFFAOYSA-N -2 3 384.312 0.947 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000832143143 601281905 /nfs/dbraw/zinc/28/19/05/601281905.db2.gz RCHCFQBJXJXEAL-UHFFFAOYSA-N -2 3 398.173 0.209 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c(OC)c1C(=O)[O-] ZINC000833734186 604859634 /nfs/dbraw/zinc/85/96/34/604859634.db2.gz MTVXPMZGYVZLQT-UHFFFAOYSA-N -3 3 381.366 0.420 20 50 GCGDHL CC(C)n1cnc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824377907 607816941 /nfs/dbraw/zinc/81/69/41/607816941.db2.gz RUYQPBADGZSZAR-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CC(C)n1cnc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824377907 607816942 /nfs/dbraw/zinc/81/69/42/607816942.db2.gz RUYQPBADGZSZAR-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826396185 607846343 /nfs/dbraw/zinc/84/63/43/607846343.db2.gz LPLLIIOILSILHK-UHFFFAOYSA-N -2 3 394.804 0.121 20 50 GCGDHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826396185 607846344 /nfs/dbraw/zinc/84/63/44/607846344.db2.gz LPLLIIOILSILHK-UHFFFAOYSA-N -2 3 394.804 0.121 20 50 GCGDHL CC(C)Oc1cccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824334524 607853252 /nfs/dbraw/zinc/85/32/52/607853252.db2.gz XAJJDCXMRFRXOG-UHFFFAOYSA-N -2 3 397.395 0.889 20 50 GCGDHL Cc1cnn(Cc2cc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)no2)c1 ZINC000826320069 607894241 /nfs/dbraw/zinc/89/42/41/607894241.db2.gz FSAPYVIRTZGFIU-UHFFFAOYSA-N -2 3 393.367 0.483 20 50 GCGDHL Cc1cnn(Cc2cc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)no2)c1 ZINC000826320069 607894242 /nfs/dbraw/zinc/89/42/42/607894242.db2.gz FSAPYVIRTZGFIU-UHFFFAOYSA-N -2 3 393.367 0.483 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(OCC(F)F)n1 ZINC000826445266 608028740 /nfs/dbraw/zinc/02/87/40/608028740.db2.gz MWDCBRSKTJMQKE-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OCC(F)F)n1 ZINC000826445266 608028741 /nfs/dbraw/zinc/02/87/41/608028741.db2.gz MWDCBRSKTJMQKE-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncn(-c2ccccc2)n1 ZINC000826445562 608534523 /nfs/dbraw/zinc/53/45/23/608534523.db2.gz ZCRXPMKQHDPQPZ-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncn(-c2ccccc2)n1 ZINC000826445562 608534525 /nfs/dbraw/zinc/53/45/25/608534525.db2.gz ZCRXPMKQHDPQPZ-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450144 609229109 /nfs/dbraw/zinc/22/91/09/609229109.db2.gz YMENGVCCAAOURI-GFCCVEGCSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450144 609229110 /nfs/dbraw/zinc/22/91/10/609229110.db2.gz YMENGVCCAAOURI-GFCCVEGCSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(-n2ccnc2)ccn1 ZINC000826445503 609451497 /nfs/dbraw/zinc/45/14/97/609451497.db2.gz XCYOMCCNCOJYLB-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(-n2ccnc2)ccn1 ZINC000826445503 609451499 /nfs/dbraw/zinc/45/14/99/609451499.db2.gz XCYOMCCNCOJYLB-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cccn2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259715 609512521 /nfs/dbraw/zinc/51/25/21/609512521.db2.gz BKRLRIHLBNVXOQ-UHFFFAOYSA-N -2 3 391.395 0.774 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cccn2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259715 609512522 /nfs/dbraw/zinc/51/25/22/609512522.db2.gz BKRLRIHLBNVXOQ-UHFFFAOYSA-N -2 3 391.395 0.774 20 50 GCGDHL COCCCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826156641 609543408 /nfs/dbraw/zinc/54/34/08/609543408.db2.gz NGFKSGVASZJLCU-UHFFFAOYSA-N -2 3 399.415 0.341 20 50 GCGDHL COCCCNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826156641 609543410 /nfs/dbraw/zinc/54/34/10/609543410.db2.gz NGFKSGVASZJLCU-UHFFFAOYSA-N -2 3 399.415 0.341 20 50 GCGDHL Cc1nnc(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[n-]c1=O ZINC000737535138 945090643 /nfs/dbraw/zinc/09/06/43/945090643.db2.gz ZVVXNJHNGJJGDE-GFCCVEGCSA-N -2 3 382.388 0.178 20 50 GCGDHL O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000738129746 945204996 /nfs/dbraw/zinc/20/49/96/945204996.db2.gz IDQSDNVQCWYYNW-UHFFFAOYSA-N -2 3 393.323 0.892 20 50 GCGDHL O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000738129746 945205004 /nfs/dbraw/zinc/20/50/04/945205004.db2.gz IDQSDNVQCWYYNW-UHFFFAOYSA-N -2 3 393.323 0.892 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cn(Cc2ccccc2)nn1 ZINC000738134323 945219128 /nfs/dbraw/zinc/21/91/28/945219128.db2.gz KRKBTWNYLNQAOY-UHFFFAOYSA-N -2 3 389.379 0.581 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cn(Cc2ccccc2)nn1 ZINC000738134323 945219138 /nfs/dbraw/zinc/21/91/38/945219138.db2.gz KRKBTWNYLNQAOY-UHFFFAOYSA-N -2 3 389.379 0.581 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc(-c2cnccn2)n1 ZINC000738134437 945220945 /nfs/dbraw/zinc/22/09/45/945220945.db2.gz MRUGGDJYQVJGBM-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc(-c2cnccn2)n1 ZINC000738134437 945220954 /nfs/dbraw/zinc/22/09/54/945220954.db2.gz MRUGGDJYQVJGBM-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C([O-])c1cnc(C(=O)[N-]NC(=O)c2cc(Br)ccc2[O-])cn1 ZINC001610861167 970771025 /nfs/dbraw/zinc/77/10/25/970771025.db2.gz GFUPCFWTAXZSHD-UHFFFAOYSA-N -3 3 381.142 0.718 20 50 GCGDHL CC(C)CCn1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735817590 944704214 /nfs/dbraw/zinc/70/42/14/944704214.db2.gz CLEMDICSZICMCT-UHFFFAOYSA-N -2 3 399.415 0.344 20 50 GCGDHL CCOc1ccc(O[C@H](C)C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736646550 944860666 /nfs/dbraw/zinc/86/06/66/944860666.db2.gz IQTDYSQQJPXHDB-LLVKDONJSA-N -2 3 397.395 0.889 20 50 GCGDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737230010 945015342 /nfs/dbraw/zinc/01/53/42/945015342.db2.gz BRUAHWHNNNTWEE-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737230010 945015348 /nfs/dbraw/zinc/01/53/48/945015348.db2.gz BRUAHWHNNNTWEE-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(F)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345643 945047278 /nfs/dbraw/zinc/04/72/78/945047278.db2.gz UHKBFBZKHMSFFW-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(F)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345643 945047287 /nfs/dbraw/zinc/04/72/87/945047287.db2.gz UHKBFBZKHMSFFW-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL COc1ccsc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821911592 945904096 /nfs/dbraw/zinc/90/40/96/945904096.db2.gz ZOHOLDCTUZNUOK-UHFFFAOYSA-N -2 3 380.411 0.560 20 50 GCGDHL COc1ccsc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821911592 945904098 /nfs/dbraw/zinc/90/40/98/945904098.db2.gz ZOHOLDCTUZNUOK-UHFFFAOYSA-N -2 3 380.411 0.560 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822226096 946002507 /nfs/dbraw/zinc/00/25/07/946002507.db2.gz CJCDMVMIAIKVSO-WUXMJOGZSA-N -2 3 380.368 0.783 20 50 GCGDHL Cn1c(CC(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)nc2ccccc21 ZINC000822595626 946133008 /nfs/dbraw/zinc/13/30/08/946133008.db2.gz AVJDOZGYORPOCF-UHFFFAOYSA-N -2 3 382.409 0.819 20 50 GCGDHL O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)N[N-]C(=O)c1ccccn1 ZINC000822955266 946233250 /nfs/dbraw/zinc/23/32/50/946233250.db2.gz NVWMGQROWSRWNJ-UHFFFAOYSA-N -2 3 394.395 0.832 20 50 GCGDHL O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)N[N-]C(=O)c1ccccn1 ZINC000822955266 946233260 /nfs/dbraw/zinc/23/32/60/946233260.db2.gz NVWMGQROWSRWNJ-UHFFFAOYSA-N -2 3 394.395 0.832 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc(C(=O)[O-])nn2C)c1 ZINC001594075518 958220673 /nfs/dbraw/zinc/22/06/73/958220673.db2.gz XUEAZUFERHVLBX-UHFFFAOYSA-N -2 3 397.185 0.964 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC000737682353 978430114 /nfs/dbraw/zinc/43/01/14/978430114.db2.gz LRZRKVYBHYHOHO-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC000740281699 978673952 /nfs/dbraw/zinc/67/39/52/978673952.db2.gz UVZZSFKDVUOLDV-UHFFFAOYSA-N -3 3 385.423 0.835 20 50 GCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)c2cccc(C)n2)c1 ZINC001599281024 996895967 /nfs/dbraw/zinc/89/59/67/996895967.db2.gz MTDVKKXUIMLWGZ-UHFFFAOYSA-N -3 3 379.394 0.858 20 50 GCGDHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1 ZINC001599330448 997738698 /nfs/dbraw/zinc/73/86/98/997738698.db2.gz ZECNZPCLFXOAFJ-UHFFFAOYSA-N -3 3 399.812 0.994 20 50 GCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826308176 607683114 /nfs/dbraw/zinc/68/31/14/607683114.db2.gz NDCCIKNFHUNPRI-UHFFFAOYSA-N -2 3 395.351 0.472 20 50 GCGDHL CC(C)NC(=O)C(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833501489 605018576 /nfs/dbraw/zinc/01/85/76/605018576.db2.gz AIMIXTOZYYUFDK-UHFFFAOYSA-N -2 3 398.397 0.447 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823280571 606865118 /nfs/dbraw/zinc/86/51/18/606865118.db2.gz BNQOSXACLZIPIE-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823280571 606865119 /nfs/dbraw/zinc/86/51/19/606865119.db2.gz BNQOSXACLZIPIE-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncn(-c2ccccc2)n1 ZINC000826445276 608542995 /nfs/dbraw/zinc/54/29/95/608542995.db2.gz NEWYHOCVAMEFSG-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncn(-c2ccccc2)n1 ZINC000826445276 608542996 /nfs/dbraw/zinc/54/29/96/608542996.db2.gz NEWYHOCVAMEFSG-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1O ZINC000826445152 609524567 /nfs/dbraw/zinc/52/45/67/609524567.db2.gz IYDMEDSPRWCAPI-UHFFFAOYSA-N -2 3 394.800 0.849 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000826445454 609529280 /nfs/dbraw/zinc/52/92/80/609529280.db2.gz VKGKGQWCDQVEKD-UHFFFAOYSA-N -2 3 388.413 0.023 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000826445454 609529281 /nfs/dbraw/zinc/52/92/81/609529281.db2.gz VKGKGQWCDQVEKD-UHFFFAOYSA-N -2 3 388.413 0.023 20 50 GCGDHL Cc1nc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000737467633 945073332 /nfs/dbraw/zinc/07/33/32/945073332.db2.gz FMJRUWZTPHHBJL-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1nc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000737467633 945073339 /nfs/dbraw/zinc/07/33/39/945073339.db2.gz FMJRUWZTPHHBJL-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737510863 945086833 /nfs/dbraw/zinc/08/68/33/945086833.db2.gz GTYRLOPXECZWMW-UHFFFAOYSA-N -2 3 396.820 0.185 20 50 GCGDHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737510863 945086839 /nfs/dbraw/zinc/08/68/39/945086839.db2.gz GTYRLOPXECZWMW-UHFFFAOYSA-N -2 3 396.820 0.185 20 50 GCGDHL Cc1nnc(NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[n-]c1=O ZINC000737535139 945091353 /nfs/dbraw/zinc/09/13/53/945091353.db2.gz ZVVXNJHNGJJGDE-LBPRGKRZSA-N -2 3 382.388 0.178 20 50 GCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C(F)(F)F ZINC000737623232 945105155 /nfs/dbraw/zinc/10/51/55/945105155.db2.gz QXLDEYKRWKDHRV-UHFFFAOYSA-N -2 3 380.290 0.694 20 50 GCGDHL Cn1ncc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C(F)(F)F ZINC000737623232 945105160 /nfs/dbraw/zinc/10/51/60/945105160.db2.gz QXLDEYKRWKDHRV-UHFFFAOYSA-N -2 3 380.290 0.694 20 50 GCGDHL O=C(CCC1CCCCC1)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737825196 945133437 /nfs/dbraw/zinc/13/34/37/945133437.db2.gz WEVYZKPZZSAOFN-UHFFFAOYSA-N -2 3 379.446 0.932 20 50 GCGDHL O=C(CN1CCCc2ccccc21)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737873121 945140990 /nfs/dbraw/zinc/14/09/90/945140990.db2.gz KZOQRUHJMMKPJR-UHFFFAOYSA-N -2 3 378.396 0.476 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134251 945217237 /nfs/dbraw/zinc/21/72/37/945217237.db2.gz HZYOWPWVZKZOGA-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134251 945217241 /nfs/dbraw/zinc/21/72/41/945217241.db2.gz HZYOWPWVZKZOGA-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnc(N2CCCCC2)n1 ZINC000738134742 945223297 /nfs/dbraw/zinc/22/32/97/945223297.db2.gz RXUQSKBVWNDCEQ-UHFFFAOYSA-N -2 3 393.411 0.722 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnc(N2CCCCC2)n1 ZINC000738134742 945223308 /nfs/dbraw/zinc/22/33/08/945223308.db2.gz RXUQSKBVWNDCEQ-UHFFFAOYSA-N -2 3 393.411 0.722 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2ncccc21 ZINC000738134864 945224792 /nfs/dbraw/zinc/22/47/92/945224792.db2.gz WNDPQFKAOWBENZ-UHFFFAOYSA-N -2 3 396.392 0.433 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738134945 945226204 /nfs/dbraw/zinc/22/62/04/945226204.db2.gz ZYXOVOHLTOHASL-UHFFFAOYSA-N -2 3 393.342 0.661 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738134945 945226213 /nfs/dbraw/zinc/22/62/13/945226213.db2.gz ZYXOVOHLTOHASL-UHFFFAOYSA-N -2 3 393.342 0.661 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(-n2cccn2)ccn1 ZINC000738136780 945238122 /nfs/dbraw/zinc/23/81/22/945238122.db2.gz MLOFXRXYNSPWCX-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(-n2cccn2)ccn1 ZINC000738136780 945238124 /nfs/dbraw/zinc/23/81/24/945238124.db2.gz MLOFXRXYNSPWCX-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL CC(C)Cn1[n-]c(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC000820108709 945352256 /nfs/dbraw/zinc/35/22/56/945352256.db2.gz PCBCCUHTKAMILE-UHFFFAOYSA-N -2 3 384.400 0.016 20 50 GCGDHL CC(C)(C(=O)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735580369 944674025 /nfs/dbraw/zinc/67/40/25/944674025.db2.gz CZUJGKQARSPHGL-UHFFFAOYSA-N -2 3 387.425 0.549 20 50 GCGDHL CCOc1ccccc1OCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736654366 944864451 /nfs/dbraw/zinc/86/44/51/944864451.db2.gz BOYAUFRYHBGBSU-UHFFFAOYSA-N -2 3 383.368 0.500 20 50 GCGDHL CCn1nc(C)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000736731642 944879191 /nfs/dbraw/zinc/87/91/91/944879191.db2.gz PSXXNCQCDMKJQQ-UHFFFAOYSA-N -2 3 390.429 0.323 20 50 GCGDHL CCn1nc(C)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736731642 944879201 /nfs/dbraw/zinc/87/92/01/944879201.db2.gz PSXXNCQCDMKJQQ-UHFFFAOYSA-N -2 3 390.429 0.323 20 50 GCGDHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[N-]C(=O)c1scnc1C ZINC000737025124 944935420 /nfs/dbraw/zinc/93/54/20/944935420.db2.gz XRUJERXIPCUZIP-UHFFFAOYSA-N -2 3 389.397 0.480 20 50 GCGDHL CSc1[n-]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000737188111 944978805 /nfs/dbraw/zinc/97/88/05/944978805.db2.gz YZXLSVLLSCKRPM-UHFFFAOYSA-N -2 3 396.392 0.636 20 50 GCGDHL CSc1[n-]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000737188111 944978811 /nfs/dbraw/zinc/97/88/11/944978811.db2.gz YZXLSVLLSCKRPM-UHFFFAOYSA-N -2 3 396.392 0.636 20 50 GCGDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737231261 945014686 /nfs/dbraw/zinc/01/46/86/945014686.db2.gz LTCRGGKINONNNY-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737231261 945014695 /nfs/dbraw/zinc/01/46/95/945014695.db2.gz LTCRGGKINONNNY-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737282521 945030283 /nfs/dbraw/zinc/03/02/83/945030283.db2.gz FMADIJACNSNXGU-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737282521 945030289 /nfs/dbraw/zinc/03/02/89/945030289.db2.gz FMADIJACNSNXGU-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(-n2cc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)nn2)cc1 ZINC000737303730 945034801 /nfs/dbraw/zinc/03/48/01/945034801.db2.gz OBJOLKRBLXBOSM-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1ccc(-n2cc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)nn2)cc1 ZINC000737303730 945034806 /nfs/dbraw/zinc/03/48/06/945034806.db2.gz OBJOLKRBLXBOSM-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n[nH]1 ZINC000822176630 945972378 /nfs/dbraw/zinc/97/23/78/945972378.db2.gz NEMCWLGOYJRXBP-UHFFFAOYSA-N -2 3 381.356 0.665 20 50 GCGDHL Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822197484 945982866 /nfs/dbraw/zinc/98/28/66/945982866.db2.gz CDUSTKVSKLYOOD-UHFFFAOYSA-N -2 3 375.780 0.190 20 50 GCGDHL Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822197484 945982874 /nfs/dbraw/zinc/98/28/74/945982874.db2.gz CDUSTKVSKLYOOD-UHFFFAOYSA-N -2 3 375.780 0.190 20 50 GCGDHL O=C([O-])CN1CCC[C@@H](C(=O)N[N-]C(=O)c2ccccc2Br)C1=O ZINC001574719599 962754087 /nfs/dbraw/zinc/75/40/87/962754087.db2.gz MIFMDVJFHZMKNR-JTQLQIEISA-N -2 3 398.213 0.533 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1 ZINC000737687592 978430940 /nfs/dbraw/zinc/43/09/40/978430940.db2.gz DHLQSUOCYODVMF-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000737684805 978430946 /nfs/dbraw/zinc/43/09/46/978430946.db2.gz YAJSQBJVCGPFKO-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)c1cccs1 ZINC000738278142 978510135 /nfs/dbraw/zinc/51/01/35/978510135.db2.gz XPONFEJCSWMFEA-UHFFFAOYSA-N -3 3 397.434 0.494 20 50 GCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)c2cnn(-c3ccccc3)c2)o1 ZINC000739454062 978638754 /nfs/dbraw/zinc/63/87/54/978638754.db2.gz OKWNHHCSNCPAEY-UHFFFAOYSA-N -3 3 376.350 0.787 20 50 GCGDHL CS(=O)(=O)c1cc(NC(=O)N[N-]C(=O)CC(F)(F)F)cc(C(=O)[O-])c1 ZINC001599766767 992191015 /nfs/dbraw/zinc/19/10/15/992191015.db2.gz SAUQYVXGEOGUSA-UHFFFAOYSA-N -2 3 383.304 0.893 20 50 GCGDHL COC(=O)N[N-]C(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)[O-] ZINC001598884060 996859650 /nfs/dbraw/zinc/85/96/50/996859650.db2.gz GSXQXLOXYUJETH-UHFFFAOYSA-N -2 3 378.110 0.612 20 50 GCGDHL COc1cc(C)[n-]c(=NNC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)n1 ZINC000831972197 601108335 /nfs/dbraw/zinc/10/83/35/601108335.db2.gz FTLVZIKJKJNBOR-UHFFFAOYSA-N -3 3 398.379 0.657 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826303471 607536616 /nfs/dbraw/zinc/53/66/16/607536616.db2.gz QJHNYKGJZTYGAI-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826303471 607536618 /nfs/dbraw/zinc/53/66/18/607536618.db2.gz QJHNYKGJZTYGAI-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c(OC)c1C(=O)[O-] ZINC000833734190 604861285 /nfs/dbraw/zinc/86/12/85/604861285.db2.gz MWEGXMIRMFTGPY-UHFFFAOYSA-N -3 3 387.414 0.837 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833443024 605028628 /nfs/dbraw/zinc/02/86/28/605028628.db2.gz TZTUQJFUZLWUBV-UHFFFAOYSA-N -3 3 391.402 0.592 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833439783 605289891 /nfs/dbraw/zinc/28/98/91/605289891.db2.gz YVOFYCWKDUULFC-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc2nonc21)c1cccc(-c2nnn[n-]2)c1 ZINC000823280825 607001119 /nfs/dbraw/zinc/00/11/19/607001119.db2.gz GWJIGHNJZPIVTJ-UHFFFAOYSA-N -2 3 386.353 0.026 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc2nonc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823280825 607001121 /nfs/dbraw/zinc/00/11/21/607001121.db2.gz GWJIGHNJZPIVTJ-UHFFFAOYSA-N -2 3 386.353 0.026 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000824113984 608206374 /nfs/dbraw/zinc/20/63/74/608206374.db2.gz HOMUXBOJIOEFRO-UHFFFAOYSA-N -2 3 395.445 0.994 20 50 GCGDHL O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000826445796 608542944 /nfs/dbraw/zinc/54/29/44/608542944.db2.gz KNRDYPWAWQFRGI-UHFFFAOYSA-N -2 3 399.758 0.947 20 50 GCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450145 609228984 /nfs/dbraw/zinc/22/89/84/609228984.db2.gz YMENGVCCAAOURI-LBPRGKRZSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C(NN=c1[n-]c(-c2cccnc2)no1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450145 609228985 /nfs/dbraw/zinc/22/89/85/609228985.db2.gz YMENGVCCAAOURI-LBPRGKRZSA-N -2 3 379.340 0.488 20 50 GCGDHL Cc1ncsc1C(=O)[N-]NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737498574 945082429 /nfs/dbraw/zinc/08/24/29/945082429.db2.gz HMOLDJWFJNWOBR-UHFFFAOYSA-N -2 3 376.377 0.915 20 50 GCGDHL Cc1ncsc1C(=O)[N-]NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737498574 945082442 /nfs/dbraw/zinc/08/24/42/945082442.db2.gz HMOLDJWFJNWOBR-UHFFFAOYSA-N -2 3 376.377 0.915 20 50 GCGDHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737895808 945148466 /nfs/dbraw/zinc/14/84/66/945148466.db2.gz QPBIDBWKBQTQGW-UHFFFAOYSA-N -2 3 378.356 0.867 20 50 GCGDHL O=C([N-][N-]C(=O)C(F)(F)Oc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738130844 945212326 /nfs/dbraw/zinc/21/23/26/945212326.db2.gz XLOXLBMNPTZKGC-UHFFFAOYSA-N -3 3 375.295 0.695 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134132 945216686 /nfs/dbraw/zinc/21/66/86/945216686.db2.gz FYQHEFVYNHLUQH-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134132 945216692 /nfs/dbraw/zinc/21/66/92/945216692.db2.gz FYQHEFVYNHLUQH-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)n1 ZINC000738134267 945217116 /nfs/dbraw/zinc/21/71/16/945217116.db2.gz IRVIREGHLVGNJC-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)n1 ZINC000738134267 945217124 /nfs/dbraw/zinc/21/71/24/945217124.db2.gz IRVIREGHLVGNJC-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000738134658 945220713 /nfs/dbraw/zinc/22/07/13/945220713.db2.gz PYKRDMORNQLWLF-UHFFFAOYSA-N -3 3 394.394 0.250 20 50 GCGDHL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000738134658 945220716 /nfs/dbraw/zinc/22/07/16/945220716.db2.gz PYKRDMORNQLWLF-UHFFFAOYSA-N -3 3 394.394 0.250 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1O ZINC000738134449 945221418 /nfs/dbraw/zinc/22/14/18/945221418.db2.gz NALKZXHFVXKRJG-UHFFFAOYSA-N -2 3 378.345 0.335 20 50 GCGDHL O=C([O-])COc1cccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000738211672 945255254 /nfs/dbraw/zinc/25/52/54/945255254.db2.gz SNVRKWIXSZMNPE-UHFFFAOYSA-N -2 3 396.363 0.859 20 50 GCGDHL O=C([O-])COc1cccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000738211672 945255257 /nfs/dbraw/zinc/25/52/57/945255257.db2.gz SNVRKWIXSZMNPE-UHFFFAOYSA-N -2 3 396.363 0.859 20 50 GCGDHL O=C([O-])c1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000738212044 945255302 /nfs/dbraw/zinc/25/53/02/945255302.db2.gz BNFJVJZQPRLFGL-UHFFFAOYSA-N -3 3 388.365 0.188 20 50 GCGDHL O=C([O-])c1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000738212044 945255305 /nfs/dbraw/zinc/25/53/05/945255305.db2.gz BNFJVJZQPRLFGL-UHFFFAOYSA-N -3 3 388.365 0.188 20 50 GCGDHL CCCc1n[nH]c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000736498017 944835885 /nfs/dbraw/zinc/83/58/85/944835885.db2.gz NPQYOYFZQJUSAQ-UHFFFAOYSA-N -2 3 385.344 0.525 20 50 GCGDHL CCOc1ccc(O[C@@H](C)C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736646551 944862273 /nfs/dbraw/zinc/86/22/73/944862273.db2.gz IQTDYSQQJPXHDB-NSHDSACASA-N -2 3 397.395 0.889 20 50 GCGDHL COCc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737022272 944933491 /nfs/dbraw/zinc/93/34/91/944933491.db2.gz PKJFLOSZGFHGOR-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737022272 944933500 /nfs/dbraw/zinc/93/35/00/944933500.db2.gz PKJFLOSZGFHGOR-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL Cc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737416119 945061087 /nfs/dbraw/zinc/06/10/87/945061087.db2.gz XCYQHESHIBKIFX-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)o1 ZINC000822226143 946002005 /nfs/dbraw/zinc/00/20/05/946002005.db2.gz DZSZNHXTAPCPNI-UHFFFAOYSA-N -2 3 393.341 0.300 20 50 GCGDHL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822535011 946115415 /nfs/dbraw/zinc/11/54/15/946115415.db2.gz DWLZTJHESPXXLS-UHFFFAOYSA-N -2 3 393.367 0.638 20 50 GCGDHL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822535011 946115421 /nfs/dbraw/zinc/11/54/21/946115421.db2.gz DWLZTJHESPXXLS-UHFFFAOYSA-N -2 3 393.367 0.638 20 50 GCGDHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000823049723 946294313 /nfs/dbraw/zinc/29/43/13/946294313.db2.gz JFWFAJVSUMXJTQ-MNOVXSKESA-N -2 3 386.368 0.060 20 50 GCGDHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000823049723 946294324 /nfs/dbraw/zinc/29/43/24/946294324.db2.gz JFWFAJVSUMXJTQ-MNOVXSKESA-N -2 3 386.368 0.060 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccn2)no1 ZINC000823276953 946391781 /nfs/dbraw/zinc/39/17/81/946391781.db2.gz ABKHGQWRPOPBDF-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccn2)no1 ZINC000823276953 946391790 /nfs/dbraw/zinc/39/17/90/946391790.db2.gz ABKHGQWRPOPBDF-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001573851916 950297090 /nfs/dbraw/zinc/29/70/90/950297090.db2.gz AMSSQCLRJOLCJY-SECBINFHSA-N -2 3 393.429 0.699 20 50 GCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)c2cccn(CC(=O)[O-])c2=O)o1 ZINC001603736856 974177455 /nfs/dbraw/zinc/17/74/55/974177455.db2.gz IDNJCYNDAYWFJO-UHFFFAOYSA-N -2 3 390.396 0.443 20 50 GCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c1 ZINC000737654684 978426838 /nfs/dbraw/zinc/42/68/38/978426838.db2.gz RTLPBFCUPNDFSI-UHFFFAOYSA-N -3 3 393.377 0.119 20 50 GCGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)CCc2ccccc2O)ccc1O ZINC000739259557 978625215 /nfs/dbraw/zinc/62/52/15/978625215.db2.gz RLFFKULJUQEOLN-UHFFFAOYSA-N -3 3 380.378 0.738 20 50 GCGDHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1 ZINC000739739172 978652273 /nfs/dbraw/zinc/65/22/73/978652273.db2.gz MNJDQGHEIBORPO-UHFFFAOYSA-N -3 3 379.394 0.487 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000777940962 978781805 /nfs/dbraw/zinc/78/18/05/978781805.db2.gz PQGVMGMYQVSHIL-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL CCN(CC)Cc1ccc(C(=O)[N-]NC(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC001596275668 983694470 /nfs/dbraw/zinc/69/44/70/983694470.db2.gz NWWQPDXEUPNECQ-UHFFFAOYSA-N -2 3 378.389 0.869 20 50 GCGDHL COC(=O)N[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001598883980 996857111 /nfs/dbraw/zinc/85/71/11/996857111.db2.gz BYFLDJJQWHGCEO-UHFFFAOYSA-N -2 3 378.110 0.612 20 50 GCGDHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-] ZINC001599022148 998989133 /nfs/dbraw/zinc/98/91/33/998989133.db2.gz AGZSODIDDYJRMR-UHFFFAOYSA-N -3 3 387.395 0.265 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833438404 605289975 /nfs/dbraw/zinc/28/99/75/605289975.db2.gz JHGGTLKLHHODBN-UHFFFAOYSA-N -3 3 379.416 0.281 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)nc1 ZINC000823281438 606164002 /nfs/dbraw/zinc/16/40/02/606164002.db2.gz SHTIAJCAKGTWQZ-UHFFFAOYSA-N -2 3 397.779 0.678 20 50 GCGDHL COCc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826164661 608394114 /nfs/dbraw/zinc/39/41/14/608394114.db2.gz KEWWGLIVDHVRCI-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826164661 608394116 /nfs/dbraw/zinc/39/41/16/608394116.db2.gz KEWWGLIVDHVRCI-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL CS(=O)(=O)c1csc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826223852 608449992 /nfs/dbraw/zinc/44/99/92/608449992.db2.gz CIHRJTQPBKRTPO-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL CS(=O)(=O)c1csc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826223852 608449993 /nfs/dbraw/zinc/44/99/93/608449993.db2.gz CIHRJTQPBKRTPO-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL Cc1cc(C(=O)NNc2nnc(C)c(=O)[n-]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826336928 609141750 /nfs/dbraw/zinc/14/17/50/609141750.db2.gz VBENFFPBTKSZII-UHFFFAOYSA-N -2 3 393.371 0.317 20 50 GCGDHL Cc1cc(C(=O)NNc2nnc(C)c(=O)[n-]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826336928 609141752 /nfs/dbraw/zinc/14/17/52/609141752.db2.gz VBENFFPBTKSZII-UHFFFAOYSA-N -2 3 393.371 0.317 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826303584 609371544 /nfs/dbraw/zinc/37/15/44/609371544.db2.gz WCHZEBCCAPLKOC-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826303584 609371545 /nfs/dbraw/zinc/37/15/45/609371545.db2.gz WCHZEBCCAPLKOC-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cn1ncc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737620801 945104051 /nfs/dbraw/zinc/10/40/51/945104051.db2.gz CZKNGTWADVIVEX-UHFFFAOYSA-N -2 3 392.326 0.378 20 50 GCGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737915918 945151019 /nfs/dbraw/zinc/15/10/19/945151019.db2.gz KBSBCOMFLSKCOM-UHFFFAOYSA-N -2 3 388.409 0.393 20 50 GCGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737915918 945151021 /nfs/dbraw/zinc/15/10/21/945151021.db2.gz KBSBCOMFLSKCOM-UHFFFAOYSA-N -2 3 388.409 0.393 20 50 GCGDHL O=C(COc1cccc(-c2nnn[n-]2)c1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737924145 945155676 /nfs/dbraw/zinc/15/56/76/945155676.db2.gz BHCFGEDVEAWGQY-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(COc1cccc(-c2nn[n-]n2)c1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737924145 945155686 /nfs/dbraw/zinc/15/56/86/945155686.db2.gz BHCFGEDVEAWGQY-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737986418 945170453 /nfs/dbraw/zinc/17/04/53/945170453.db2.gz IUMANJDJKHXAHG-UHFFFAOYSA-N -2 3 397.420 0.831 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737986418 945170458 /nfs/dbraw/zinc/17/04/58/945170458.db2.gz IUMANJDJKHXAHG-UHFFFAOYSA-N -2 3 397.420 0.831 20 50 GCGDHL O=C([N-]NC(=O)C1CCN(c2ncccn2)CC1)c1sccc1-c1nn[n-]n1 ZINC000738129467 945200951 /nfs/dbraw/zinc/20/09/51/945200951.db2.gz CJLYWJGMIDHDKK-UHFFFAOYSA-N -2 3 399.440 0.396 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134052 945214859 /nfs/dbraw/zinc/21/48/59/945214859.db2.gz DMUGJUHNEAZSSQ-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134052 945214867 /nfs/dbraw/zinc/21/48/67/945214867.db2.gz DMUGJUHNEAZSSQ-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000738134210 945217756 /nfs/dbraw/zinc/21/77/56/945217756.db2.gz GLAUQMUQOCVNHY-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1cn[nH]n1 ZINC000738136874 945237632 /nfs/dbraw/zinc/23/76/32/945237632.db2.gz OAUIWRIMQLXMMY-UHFFFAOYSA-N -2 3 392.339 0.247 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1cn[nH]n1 ZINC000738136874 945237641 /nfs/dbraw/zinc/23/76/41/945237641.db2.gz OAUIWRIMQLXMMY-UHFFFAOYSA-N -2 3 392.339 0.247 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738137284 945242389 /nfs/dbraw/zinc/24/23/89/945242389.db2.gz SYJWZUJYGJWEBF-UHFFFAOYSA-N -2 3 397.307 0.578 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000738137284 945242394 /nfs/dbraw/zinc/24/23/94/945242394.db2.gz SYJWZUJYGJWEBF-UHFFFAOYSA-N -2 3 397.307 0.578 20 50 GCGDHL CC(C)Cn1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000820112501 945352361 /nfs/dbraw/zinc/35/23/61/945352361.db2.gz VZQBDNMTDATFRK-UHFFFAOYSA-N -2 3 390.429 0.343 20 50 GCGDHL CC(C)Cn1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000820112501 945352372 /nfs/dbraw/zinc/35/23/72/945352372.db2.gz VZQBDNMTDATFRK-UHFFFAOYSA-N -2 3 390.429 0.343 20 50 GCGDHL CCCc1n[nH]c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736497767 944835052 /nfs/dbraw/zinc/83/50/52/944835052.db2.gz MLOHTVFALSXFIJ-UHFFFAOYSA-N -2 3 385.344 0.525 20 50 GCGDHL CN(C)c1ccc(NC(=S)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736778824 944888237 /nfs/dbraw/zinc/88/82/37/944888237.db2.gz GGAGANKTOBDLDU-UHFFFAOYSA-N -2 3 383.441 0.959 20 50 GCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)c1ccc(C#N)cc1 ZINC000737301129 945034101 /nfs/dbraw/zinc/03/41/01/945034101.db2.gz IBDNOESUVSJMRO-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737369767 945052559 /nfs/dbraw/zinc/05/25/59/945052559.db2.gz LYRHSTJNINRKCJ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737369767 945052569 /nfs/dbraw/zinc/05/25/69/945052569.db2.gz LYRHSTJNINRKCJ-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL CCOC(=O)N[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821335027 945672475 /nfs/dbraw/zinc/67/24/75/945672475.db2.gz WAAYVGZRACBLSO-UHFFFAOYSA-N -2 3 391.207 0.569 20 50 GCGDHL CCOC(=O)N[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821335027 945672482 /nfs/dbraw/zinc/67/24/82/945672482.db2.gz WAAYVGZRACBLSO-UHFFFAOYSA-N -2 3 391.207 0.569 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822226095 946002160 /nfs/dbraw/zinc/00/21/60/946002160.db2.gz CJCDMVMIAIKVSO-SDQBBNPISA-N -2 3 380.368 0.783 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277512 946402821 /nfs/dbraw/zinc/40/28/21/946402821.db2.gz NXWBBPBFLUSJBJ-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277512 946402827 /nfs/dbraw/zinc/40/28/27/946402827.db2.gz NXWBBPBFLUSJBJ-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)c1-c1nnn[n-]1 ZINC000826348225 948067795 /nfs/dbraw/zinc/06/77/95/948067795.db2.gz BNUHZBNHHQCWCS-UHFFFAOYSA-N -2 3 393.367 0.557 20 50 GCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)c1-c1nn[n-]n1 ZINC000826348225 948067800 /nfs/dbraw/zinc/06/78/00/948067800.db2.gz BNUHZBNHHQCWCS-UHFFFAOYSA-N -2 3 393.367 0.557 20 50 GCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCc3nncn3C2)c1C ZINC000368315744 971550538 /nfs/dbraw/zinc/55/05/38/971550538.db2.gz JHPJYMHXOYYAJW-NSHDSACASA-N -3 3 393.425 0.165 20 50 GCGDHL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)C1CCC1 ZINC000737650878 978426555 /nfs/dbraw/zinc/42/65/55/978426555.db2.gz OGMLQLGGLWVNRJ-UHFFFAOYSA-N -3 3 376.412 0.651 20 50 GCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C ZINC000737718435 978438201 /nfs/dbraw/zinc/43/82/01/978438201.db2.gz RSENUYBIFHBEFL-UHFFFAOYSA-N -3 3 378.428 0.979 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)ccc1C(=O)[O-] ZINC000738478974 978545163 /nfs/dbraw/zinc/54/51/63/978545163.db2.gz IAKZIFFEZIPUQG-UHFFFAOYSA-N -3 3 397.434 0.494 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000777939365 978781758 /nfs/dbraw/zinc/78/17/58/978781758.db2.gz LJLQWRWWPABTFO-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c1 ZINC001598923650 997615801 /nfs/dbraw/zinc/61/58/01/997615801.db2.gz NAMZADGAQKKWKQ-UHFFFAOYSA-N -3 3 385.398 0.607 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ncccc2C)c(OC)c1C(=O)[O-] ZINC000833734077 604861072 /nfs/dbraw/zinc/86/10/72/604861072.db2.gz DKLGSDJCPWRDOC-UHFFFAOYSA-N -3 3 395.393 0.729 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833439304 605289678 /nfs/dbraw/zinc/28/96/78/605289678.db2.gz QKZKHPOPJNLSIU-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833439800 605289887 /nfs/dbraw/zinc/28/98/87/605289887.db2.gz ZXCQEWHRPXVPGJ-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1O ZINC000823280606 606864831 /nfs/dbraw/zinc/86/48/31/606864831.db2.gz CZNJKZBNVUFZLW-UHFFFAOYSA-N -2 3 396.335 0.474 20 50 GCGDHL CS(=O)(=O)c1csc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224194 608452018 /nfs/dbraw/zinc/45/20/18/608452018.db2.gz TWPHCPKPSMSVLR-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL CS(=O)(=O)c1csc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224194 608452020 /nfs/dbraw/zinc/45/20/20/608452020.db2.gz TWPHCPKPSMSVLR-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL COc1ccc([O-])c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210072 608582708 /nfs/dbraw/zinc/58/27/08/608582708.db2.gz CPYHCRGNEJMFPF-UHFFFAOYSA-N -2 3 390.381 0.204 20 50 GCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449609 609220115 /nfs/dbraw/zinc/22/01/15/609220115.db2.gz BBWRKTUARZNGJD-GFCCVEGCSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449609 609220116 /nfs/dbraw/zinc/22/01/16/609220116.db2.gz BBWRKTUARZNGJD-GFCCVEGCSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445352 609312212 /nfs/dbraw/zinc/31/22/12/609312212.db2.gz QJSDTZYCUKCDCY-UHFFFAOYSA-N -2 3 388.365 0.219 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445352 609312214 /nfs/dbraw/zinc/31/22/14/609312214.db2.gz QJSDTZYCUKCDCY-UHFFFAOYSA-N -2 3 388.365 0.219 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(OCC(F)F)ccn1 ZINC000826445291 609316888 /nfs/dbraw/zinc/31/68/88/609316888.db2.gz OARNLTORDRMQTP-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(OCC(F)F)ccn1 ZINC000826445291 609316890 /nfs/dbraw/zinc/31/68/90/609316890.db2.gz OARNLTORDRMQTP-UHFFFAOYSA-N -2 3 389.322 0.980 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)[n-]c1C ZINC000825565316 609397177 /nfs/dbraw/zinc/39/71/77/609397177.db2.gz QYSAKBFXSGTMOA-UHFFFAOYSA-N -2 3 382.384 0.828 20 50 GCGDHL COCc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826165016 609423494 /nfs/dbraw/zinc/42/34/94/609423494.db2.gz BPGMQYIRXBJQHL-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1ccccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826165016 609423495 /nfs/dbraw/zinc/42/34/95/609423495.db2.gz BPGMQYIRXBJQHL-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)c1-c1nnn[n-]1 ZINC000826348438 609469133 /nfs/dbraw/zinc/46/91/33/609469133.db2.gz MCCYSQGFQNKRFH-UHFFFAOYSA-N -2 3 399.396 0.618 20 50 GCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)c1-c1nn[n-]n1 ZINC000826348438 609469136 /nfs/dbraw/zinc/46/91/36/609469136.db2.gz MCCYSQGFQNKRFH-UHFFFAOYSA-N -2 3 399.396 0.618 20 50 GCGDHL Cn1cc(-c2ncc(C(=O)[N-]NC(=O)c3ccc(-c4nnn[n-]4)cc3)s2)cn1 ZINC000737593841 945097860 /nfs/dbraw/zinc/09/78/60/945097860.db2.gz TWUYNBZSSNZKBD-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL Cn1cc(-c2ncc(C(=O)[N-]NC(=O)c3ccc(-c4nn[n-]n4)cc3)s2)cn1 ZINC000737593841 945097868 /nfs/dbraw/zinc/09/78/68/945097868.db2.gz TWUYNBZSSNZKBD-UHFFFAOYSA-N -2 3 395.408 0.799 20 50 GCGDHL O=C(CCCc1cccs1)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737837624 945136947 /nfs/dbraw/zinc/13/69/47/945136947.db2.gz SCTQSGPWEMBGFB-UHFFFAOYSA-N -2 3 393.454 0.656 20 50 GCGDHL O=C(CCc1ccccc1O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737858155 945140228 /nfs/dbraw/zinc/14/02/28/945140228.db2.gz YUZKHIGYEQYPDI-UHFFFAOYSA-N -2 3 388.409 0.515 20 50 GCGDHL O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738134279 945216748 /nfs/dbraw/zinc/21/67/48/945216748.db2.gz JHYNPCBISIBACH-UHFFFAOYSA-N -2 3 392.335 0.285 20 50 GCGDHL O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738134279 945216755 /nfs/dbraw/zinc/21/67/55/945216755.db2.gz JHYNPCBISIBACH-UHFFFAOYSA-N -2 3 392.335 0.285 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)n1 ZINC000738134604 945220858 /nfs/dbraw/zinc/22/08/58/945220858.db2.gz PBJIGLOPWXCFOH-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)n1 ZINC000738134604 945220866 /nfs/dbraw/zinc/22/08/66/945220866.db2.gz PBJIGLOPWXCFOH-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134838 945223673 /nfs/dbraw/zinc/22/36/73/945223673.db2.gz VAFNZJZQYLQKKI-UHFFFAOYSA-N -2 3 386.393 0.520 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134838 945223682 /nfs/dbraw/zinc/22/36/82/945223682.db2.gz VAFNZJZQYLQKKI-UHFFFAOYSA-N -2 3 386.393 0.520 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134871 945225620 /nfs/dbraw/zinc/22/56/20/945225620.db2.gz WVMJBAWOUFDRKV-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134871 945225626 /nfs/dbraw/zinc/22/56/26/945225626.db2.gz WVMJBAWOUFDRKV-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738136436 945235914 /nfs/dbraw/zinc/23/59/14/945235914.db2.gz LFQSTBDCZBJJDD-UHFFFAOYSA-N -2 3 375.295 0.938 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccncc2)on1 ZINC000738136891 945237257 /nfs/dbraw/zinc/23/72/57/945237257.db2.gz OMOAYHOVRCRPTG-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccncc2)on1 ZINC000738136891 945237264 /nfs/dbraw/zinc/23/72/64/945237264.db2.gz OMOAYHOVRCRPTG-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738137040 945240716 /nfs/dbraw/zinc/24/07/16/945240716.db2.gz QNILLOBEPHSFHX-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([O-])c1csc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000738214379 945254563 /nfs/dbraw/zinc/25/45/63/945254563.db2.gz LVTJQGDPEWDDBA-UHFFFAOYSA-N -3 3 394.394 0.250 20 50 GCGDHL O=C([O-])c1csc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000738214379 945254572 /nfs/dbraw/zinc/25/45/72/945254572.db2.gz LVTJQGDPEWDDBA-UHFFFAOYSA-N -3 3 394.394 0.250 20 50 GCGDHL CC(C)(C)c1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000735649471 944684927 /nfs/dbraw/zinc/68/49/27/944684927.db2.gz ZHHFJSTYHYMHGT-UHFFFAOYSA-N -2 3 385.384 0.992 20 50 GCGDHL CN(C)CC(=O)N[N-]C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736765641 944885244 /nfs/dbraw/zinc/88/52/44/944885244.db2.gz ZJCKFAMQUYUOFT-UHFFFAOYSA-N -2 3 385.384 0.361 20 50 GCGDHL CN(C)CC(=O)N[N-]C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736765641 944885250 /nfs/dbraw/zinc/88/52/50/944885250.db2.gz ZJCKFAMQUYUOFT-UHFFFAOYSA-N -2 3 385.384 0.361 20 50 GCGDHL CC(C)c1nc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000820203713 945381992 /nfs/dbraw/zinc/38/19/92/945381992.db2.gz YDIPPDACFVFUPG-UHFFFAOYSA-N -2 3 376.402 0.337 20 50 GCGDHL CC(C)c1nc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000820203713 945382000 /nfs/dbraw/zinc/38/20/00/945382000.db2.gz YDIPPDACFVFUPG-UHFFFAOYSA-N -2 3 376.402 0.337 20 50 GCGDHL COC(=O)N[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821664849 945785782 /nfs/dbraw/zinc/78/57/82/945785782.db2.gz LGDNOKSDEBNTOE-UHFFFAOYSA-N -2 3 377.180 0.179 20 50 GCGDHL COC(=O)N[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821664849 945785786 /nfs/dbraw/zinc/78/57/86/945785786.db2.gz LGDNOKSDEBNTOE-UHFFFAOYSA-N -2 3 377.180 0.179 20 50 GCGDHL Cc1cc(F)cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203222 945988453 /nfs/dbraw/zinc/98/84/53/945988453.db2.gz JUTZVFYQHXASIR-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cc(F)cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203222 945988457 /nfs/dbraw/zinc/98/84/57/945988457.db2.gz JUTZVFYQHXASIR-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000822226365 946005651 /nfs/dbraw/zinc/00/56/51/946005651.db2.gz OPVUJXFBCKSEDO-UHFFFAOYSA-N -2 3 389.759 0.821 20 50 GCGDHL Cc1ccc(C(=O)[N-]NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000822226365 946005666 /nfs/dbraw/zinc/00/56/66/946005666.db2.gz OPVUJXFBCKSEDO-UHFFFAOYSA-N -2 3 389.759 0.821 20 50 GCGDHL Cn1nc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2c1=O ZINC000822703760 946160525 /nfs/dbraw/zinc/16/05/25/946160525.db2.gz CHZLDMXOBGEIIY-UHFFFAOYSA-N -2 3 396.392 0.250 20 50 GCGDHL N#Cc1ccc(OCC(=O)N[N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822832885 946198422 /nfs/dbraw/zinc/19/84/22/946198422.db2.gz HVIRNTWCDGBFFZ-UHFFFAOYSA-N -2 3 399.317 0.857 20 50 GCGDHL O=C(CNC(=O)c1cccs1)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823005157 946263374 /nfs/dbraw/zinc/26/33/74/946263374.db2.gz FDHCKESWPWEASH-UHFFFAOYSA-N -2 3 377.411 0.181 20 50 GCGDHL O=C(Cn1cnc(-c2nnn[n-]2)n1)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000823131779 946327921 /nfs/dbraw/zinc/32/79/21/946327921.db2.gz ODKUVMOSUCYNDQ-UHFFFAOYSA-N -2 3 382.171 0.226 20 50 GCGDHL O=C(Cn1cnc(-c2nn[n-]n2)n1)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000823131779 946327929 /nfs/dbraw/zinc/32/79/29/946327929.db2.gz ODKUVMOSUCYNDQ-UHFFFAOYSA-N -2 3 382.171 0.226 20 50 GCGDHL Cn1cc(I)c(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])n1 ZINC001594546455 955686883 /nfs/dbraw/zinc/68/68/83/955686883.db2.gz QHXQLCZFQCSBFT-UHFFFAOYSA-N -2 3 387.137 0.875 20 50 GCGDHL COc1cc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)cc(OC)c1OC ZINC001594051349 957994487 /nfs/dbraw/zinc/99/44/87/957994487.db2.gz LMZCWMAXNYANRK-UHFFFAOYSA-N -2 3 375.337 0.880 20 50 GCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c(C(=O)[O-])s1 ZINC000737680341 978429332 /nfs/dbraw/zinc/42/93/32/978429332.db2.gz HYTNKAZJRQOLMC-UHFFFAOYSA-N -3 3 376.412 0.733 20 50 GCGDHL Cn1cc(C(=O)[N-]NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cn1 ZINC000739022642 978613319 /nfs/dbraw/zinc/61/33/19/978613319.db2.gz NQWZXEOSWDXREO-UHFFFAOYSA-N -2 3 375.385 0.808 20 50 GCGDHL COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001598864435 996701558 /nfs/dbraw/zinc/70/15/58/996701558.db2.gz JRJSIYSYPXMESQ-UHFFFAOYSA-N -3 3 387.395 0.265 20 50 GCGDHL O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2ccc(F)cc2Br)nn1 ZINC000833121655 601277664 /nfs/dbraw/zinc/27/76/64/601277664.db2.gz ZCYZRYLTESZLHV-UHFFFAOYSA-N -2 3 386.137 0.339 20 50 GCGDHL Cn1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C(F)F)n1 ZINC000826358623 607854095 /nfs/dbraw/zinc/85/40/95/607854095.db2.gz BASNGFVLEDPOFQ-UHFFFAOYSA-N -2 3 392.326 0.378 20 50 GCGDHL C[N-]S(=O)(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)co1 ZINC000826090248 607889635 /nfs/dbraw/zinc/88/96/35/607889635.db2.gz DVLRXZRGECOCDF-UHFFFAOYSA-N -2 3 396.389 0.236 20 50 GCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449610 609220066 /nfs/dbraw/zinc/22/00/66/609220066.db2.gz BBWRKTUARZNGJD-LBPRGKRZSA-N -2 3 379.340 0.488 20 50 GCGDHL O=C(NN=c1[n-]c(-c2ccncc2)no1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449610 609220067 /nfs/dbraw/zinc/22/00/67/609220067.db2.gz BBWRKTUARZNGJD-LBPRGKRZSA-N -2 3 379.340 0.488 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)[n-]c1C ZINC000825565007 609397120 /nfs/dbraw/zinc/39/71/20/609397120.db2.gz JYHJGLHPXMDOLZ-UHFFFAOYSA-N -2 3 382.384 0.828 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)[n-]c1C ZINC000825565158 609397129 /nfs/dbraw/zinc/39/71/29/609397129.db2.gz MVPGRZQDUKIUQH-UHFFFAOYSA-N -2 3 398.387 0.092 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)[n-]c1C ZINC000825565158 609397131 /nfs/dbraw/zinc/39/71/31/609397131.db2.gz MVPGRZQDUKIUQH-UHFFFAOYSA-N -2 3 398.387 0.092 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cnn(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259821 609560057 /nfs/dbraw/zinc/56/00/57/609560057.db2.gz IDQQOHAXDVELBR-UHFFFAOYSA-N -2 3 392.383 0.169 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2cnn(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259821 609560059 /nfs/dbraw/zinc/56/00/59/609560059.db2.gz IDQQOHAXDVELBR-UHFFFAOYSA-N -2 3 392.383 0.169 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737499211 945083450 /nfs/dbraw/zinc/08/34/50/945083450.db2.gz KJLDYQIMIPZACT-UHFFFAOYSA-N -2 3 399.845 0.908 20 50 GCGDHL Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737499801 945084235 /nfs/dbraw/zinc/08/42/35/945084235.db2.gz KQXIQYDTRFIAQN-UHFFFAOYSA-N -2 3 383.390 0.394 20 50 GCGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737916664 945150071 /nfs/dbraw/zinc/15/00/71/945150071.db2.gz PZTQJOQHXLALGX-UHFFFAOYSA-N -2 3 388.409 0.393 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000738134240 945216787 /nfs/dbraw/zinc/21/67/87/945216787.db2.gz HPPZNBUYNHHMEO-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000738134240 945216795 /nfs/dbraw/zinc/21/67/95/945216795.db2.gz HPPZNBUYNHHMEO-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738134327 945219603 /nfs/dbraw/zinc/21/96/03/945219603.db2.gz KUPWSUHWQRJIRD-UHFFFAOYSA-N -2 3 384.421 0.979 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738134327 945219612 /nfs/dbraw/zinc/21/96/12/945219612.db2.gz KUPWSUHWQRJIRD-UHFFFAOYSA-N -2 3 384.421 0.979 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cn[nH]n1 ZINC000738136846 945238144 /nfs/dbraw/zinc/23/81/44/945238144.db2.gz NPIPNVPTMFWXHE-UHFFFAOYSA-N -2 3 391.351 0.852 20 50 GCGDHL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000819891861 945307256 /nfs/dbraw/zinc/30/72/56/945307256.db2.gz IXXPJNCBZQIUAO-UHFFFAOYSA-N -2 3 397.399 0.148 20 50 GCGDHL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000819891861 945307266 /nfs/dbraw/zinc/30/72/66/945307266.db2.gz IXXPJNCBZQIUAO-UHFFFAOYSA-N -2 3 397.399 0.148 20 50 GCGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939407 945315677 /nfs/dbraw/zinc/31/56/77/945315677.db2.gz ASURKPFLADPCDL-UHFFFAOYSA-N -2 3 396.433 0.397 20 50 GCGDHL CC(C)Cn1[n-]c(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC000820108928 945353357 /nfs/dbraw/zinc/35/33/57/945353357.db2.gz VLQTZXZZJSTXQM-UHFFFAOYSA-N -2 3 384.400 0.016 20 50 GCGDHL COc1ccc([N+](=O)[O-])c(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737114021 944960872 /nfs/dbraw/zinc/96/08/72/944960872.db2.gz BHHNUGAFMCHPPL-UHFFFAOYSA-N -2 3 383.324 0.858 20 50 GCGDHL COc1ccc([N+](=O)[O-])c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737114021 944960877 /nfs/dbraw/zinc/96/08/77/944960877.db2.gz BHHNUGAFMCHPPL-UHFFFAOYSA-N -2 3 383.324 0.858 20 50 GCGDHL Cc1cc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)o1 ZINC000737236945 945018012 /nfs/dbraw/zinc/01/80/12/945018012.db2.gz VILDDLKKNHMORA-UHFFFAOYSA-N -2 3 380.361 0.839 20 50 GCGDHL Cc1ccc([N+](=O)[O-])c(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737369386 945049507 /nfs/dbraw/zinc/04/95/07/945049507.db2.gz SNKKNTJDHBKOLT-UHFFFAOYSA-N -2 3 397.351 0.923 20 50 GCGDHL CCOC(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821334269 945672674 /nfs/dbraw/zinc/67/26/74/945672674.db2.gz KZRAXQGQHACYAK-UHFFFAOYSA-N -2 3 380.308 0.825 20 50 GCGDHL COc1cc(C)[n-]c(=NNC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)n1 ZINC000821712693 945842754 /nfs/dbraw/zinc/84/27/54/945842754.db2.gz LCOQKEUPAURYOY-UHFFFAOYSA-N -2 3 399.415 0.767 20 50 GCGDHL COc1cc(C)[n-]c(=NNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821712693 945842765 /nfs/dbraw/zinc/84/27/65/945842765.db2.gz LCOQKEUPAURYOY-UHFFFAOYSA-N -2 3 399.415 0.767 20 50 GCGDHL COc1cccc(C(=O)N[N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1O ZINC000821858462 945886989 /nfs/dbraw/zinc/88/69/89/945886989.db2.gz FZCOSQVDIOOJQQ-UHFFFAOYSA-N -2 3 390.306 0.934 20 50 GCGDHL COc1cccc(F)c1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821872151 945892596 /nfs/dbraw/zinc/89/25/96/945892596.db2.gz JRJPMJDLKNXBLA-UHFFFAOYSA-N -2 3 386.343 0.854 20 50 GCGDHL COc1ccsc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821910596 945903825 /nfs/dbraw/zinc/90/38/25/945903825.db2.gz DTTIBVOPIJWQAO-UHFFFAOYSA-N -2 3 380.411 0.560 20 50 GCGDHL COc1ccsc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821910596 945903832 /nfs/dbraw/zinc/90/38/32/945903832.db2.gz DTTIBVOPIJWQAO-UHFFFAOYSA-N -2 3 380.411 0.560 20 50 GCGDHL Cc1cc(C(=O)N[N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)o1 ZINC000822176300 945969238 /nfs/dbraw/zinc/96/92/38/945969238.db2.gz IHQKIKYTELMLEU-UHFFFAOYSA-N -2 3 398.351 0.978 20 50 GCGDHL Cc1cc(C(=O)N[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)o1 ZINC000822176300 945969245 /nfs/dbraw/zinc/96/92/45/945969245.db2.gz IHQKIKYTELMLEU-UHFFFAOYSA-N -2 3 398.351 0.978 20 50 GCGDHL Cc1nc(C)c(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822431799 946088104 /nfs/dbraw/zinc/08/81/04/946088104.db2.gz KHDLYGDHRREJON-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1nc(C)c(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822431799 946088113 /nfs/dbraw/zinc/08/81/13/946088113.db2.gz KHDLYGDHRREJON-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1ncsc1C(=O)[N-]NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822482573 946102295 /nfs/dbraw/zinc/10/22/95/946102295.db2.gz WPTZYBRSCXNMAX-UHFFFAOYSA-N -2 3 388.413 0.655 20 50 GCGDHL Cc1noc(C(F)F)c1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822519429 946110611 /nfs/dbraw/zinc/11/06/11/946110611.db2.gz GXMPQIOAYHRTHX-UHFFFAOYSA-N -2 3 393.310 0.941 20 50 GCGDHL O=C(CNC(=O)c1cccs1)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823005384 946263949 /nfs/dbraw/zinc/26/39/49/946263949.db2.gz PHCSWGZZHAWIAJ-UHFFFAOYSA-N -2 3 377.411 0.181 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000823036772 946286129 /nfs/dbraw/zinc/28/61/29/946286129.db2.gz LGDBOXRJFQEJPL-UHFFFAOYSA-N -2 3 384.312 0.010 20 50 GCGDHL O=C([N-]NC(=O)[C@@H]1Cc2ccccc2O1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823273107 946372063 /nfs/dbraw/zinc/37/20/63/946372063.db2.gz DNWCIKHKWDULOX-ZDUSSCGKSA-N -2 3 386.318 0.910 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cn(Cc2cccs2)nn1 ZINC000823277115 946393657 /nfs/dbraw/zinc/39/36/57/946393657.db2.gz FIPGDYJFCATXGC-UHFFFAOYSA-N -2 3 395.408 0.643 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cn(Cc2cccs2)nn1 ZINC000823277115 946393672 /nfs/dbraw/zinc/39/36/72/946393672.db2.gz FIPGDYJFCATXGC-UHFFFAOYSA-N -2 3 395.408 0.643 20 50 GCGDHL O=C([N-]NC(=O)c1ccc2c(c1)OCO2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823277242 946396243 /nfs/dbraw/zinc/39/62/43/946396243.db2.gz HRXXXYDPHUGJTR-UHFFFAOYSA-N -2 3 388.290 0.948 20 50 GCGDHL Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)c1-c1nnn[n-]1 ZINC000826348336 948070489 /nfs/dbraw/zinc/07/04/89/948070489.db2.gz HUWSKMRLURCAKZ-UHFFFAOYSA-N -2 3 394.351 0.822 20 50 GCGDHL O=C([O-])Cn1cccc(C(=O)N[N-]C(=O)c2ccccc2Br)c1=O ZINC001595156898 952171318 /nfs/dbraw/zinc/17/13/18/952171318.db2.gz TXQMSBCLRRDXAB-UHFFFAOYSA-N -2 3 394.181 0.770 20 50 GCGDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)CNC(=O)c1ccco1 ZINC000738277980 978510016 /nfs/dbraw/zinc/51/00/16/978510016.db2.gz QZPAMRXQCWZQAO-UHFFFAOYSA-N -3 3 381.366 0.026 20 50 GCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000739022538 978613342 /nfs/dbraw/zinc/61/33/42/978613342.db2.gz KEUIXOOASJACSX-UHFFFAOYSA-N -3 3 392.315 0.760 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000777940344 978782055 /nfs/dbraw/zinc/78/20/55/978782055.db2.gz ZUHCXMNACJMYFQ-UHFFFAOYSA-N -3 3 379.416 0.281 20 50 GCGDHL O=C([O-])COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)cc1 ZINC000786727757 978795983 /nfs/dbraw/zinc/79/59/83/978795983.db2.gz IUJOHOFMGXNWEM-UHFFFAOYSA-N -3 3 379.394 0.843 20 50 GCGDHL CN(C)S(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001598276249 991149569 /nfs/dbraw/zinc/14/95/69/991149569.db2.gz AQNKMGBDAOOUGQ-UHFFFAOYSA-N -2 3 392.393 0.105 20 50 GCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826308366 607683071 /nfs/dbraw/zinc/68/30/71/607683071.db2.gz WFABYXOZGNAQDK-UHFFFAOYSA-N -2 3 377.361 0.333 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccnc(Cl)c1F ZINC000826417617 608326268 /nfs/dbraw/zinc/32/62/68/608326268.db2.gz XRFPXYHTJNKHPN-UHFFFAOYSA-N -2 3 391.750 0.894 20 50 GCGDHL Cc1cc(C(=O)N[N-]C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)[nH]n1 ZINC000826259802 609576818 /nfs/dbraw/zinc/57/68/18/609576818.db2.gz HAZZQHLJYZILRO-UHFFFAOYSA-N -2 3 392.383 0.467 20 50 GCGDHL Cc1cc(C(=O)N[N-]C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)[nH]n1 ZINC000826259802 609576820 /nfs/dbraw/zinc/57/68/20/609576820.db2.gz HAZZQHLJYZILRO-UHFFFAOYSA-N -2 3 392.383 0.467 20 50 GCGDHL O=C(CCCc1ccccc1)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737838007 945136382 /nfs/dbraw/zinc/13/63/82/945136382.db2.gz WZUCZACUJKCQJO-UHFFFAOYSA-N -2 3 387.425 0.594 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737919615 945153896 /nfs/dbraw/zinc/15/38/96/945153896.db2.gz WBNLZDZNKWMTFF-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(N2CCCC2)n1 ZINC000738134258 945217661 /nfs/dbraw/zinc/21/76/61/945217661.db2.gz IHEYQYIJWGTMJG-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(N2CCCC2)n1 ZINC000738134258 945217666 /nfs/dbraw/zinc/21/76/66/945217666.db2.gz IHEYQYIJWGTMJG-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)COC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738134488 945220831 /nfs/dbraw/zinc/22/08/31/945220831.db2.gz OSPBPKPATHWZAN-UHFFFAOYSA-N -2 3 386.393 0.520 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)COC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738134488 945220839 /nfs/dbraw/zinc/22/08/39/945220839.db2.gz OSPBPKPATHWZAN-UHFFFAOYSA-N -2 3 386.393 0.520 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ncccn2)s1 ZINC000738134928 945225016 /nfs/dbraw/zinc/22/50/16/945225016.db2.gz ZIRIJPKCCXCLMM-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ncccn2)s1 ZINC000738134928 945225020 /nfs/dbraw/zinc/22/50/20/945225020.db2.gz ZIRIJPKCCXCLMM-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134882 945225425 /nfs/dbraw/zinc/22/54/25/945225425.db2.gz XLIWYLCSUAUYBF-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134882 945225434 /nfs/dbraw/zinc/22/54/34/945225434.db2.gz XLIWYLCSUAUYBF-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc(-c2cnccn2)n1 ZINC000738134870 945225599 /nfs/dbraw/zinc/22/55/99/945225599.db2.gz WTPKJGVVIKKAQQ-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc(-c2cnccn2)n1 ZINC000738134870 945225605 /nfs/dbraw/zinc/22/56/05/945225605.db2.gz WTPKJGVVIKKAQQ-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C(NNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738137696 945246361 /nfs/dbraw/zinc/24/63/61/945246361.db2.gz XYFXQIOTOIMYEA-UHFFFAOYSA-N -2 3 392.335 0.285 20 50 GCGDHL O=C(NNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738137696 945246367 /nfs/dbraw/zinc/24/63/67/945246367.db2.gz XYFXQIOTOIMYEA-UHFFFAOYSA-N -2 3 392.335 0.285 20 50 GCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738213285 945255076 /nfs/dbraw/zinc/25/50/76/945255076.db2.gz HENUIYBQHYTJEH-UHFFFAOYSA-N -3 3 388.365 0.188 20 50 GCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738213285 945255080 /nfs/dbraw/zinc/25/50/80/945255080.db2.gz HENUIYBQHYTJEH-UHFFFAOYSA-N -3 3 388.365 0.188 20 50 GCGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819939620 945316627 /nfs/dbraw/zinc/31/66/27/945316627.db2.gz HFUWOHSFSFZZMS-UHFFFAOYSA-N -2 3 396.433 0.397 20 50 GCGDHL CC(C)n1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735962105 944727236 /nfs/dbraw/zinc/72/72/36/944727236.db2.gz YTHYADSQZAIMTD-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CC(C)n1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735962105 944727246 /nfs/dbraw/zinc/72/72/46/944727246.db2.gz YTHYADSQZAIMTD-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CCOc1ccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000736636497 944862393 /nfs/dbraw/zinc/86/23/93/944862393.db2.gz KFKYXSIYKPUNAF-UHFFFAOYSA-N -2 3 383.368 0.744 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737284127 945029924 /nfs/dbraw/zinc/02/99/24/945029924.db2.gz ZUAVZVZNJXFBRU-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737284127 945029933 /nfs/dbraw/zinc/02/99/33/945029933.db2.gz ZUAVZVZNJXFBRU-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000737355431 945046892 /nfs/dbraw/zinc/04/68/92/945046892.db2.gz GVRYGWQFYGCRCO-UHFFFAOYSA-N -2 3 380.368 0.278 20 50 GCGDHL CC(C)c1nc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000820203647 945380477 /nfs/dbraw/zinc/38/04/77/945380477.db2.gz XHKNGWAELVOJNN-UHFFFAOYSA-N -2 3 376.402 0.337 20 50 GCGDHL CC(C)c1nc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000820203647 945380489 /nfs/dbraw/zinc/38/04/89/945380489.db2.gz XHKNGWAELVOJNN-UHFFFAOYSA-N -2 3 376.402 0.337 20 50 GCGDHL Cc1cc(F)cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203363 945988136 /nfs/dbraw/zinc/98/81/36/945988136.db2.gz PXPIKNJEPDIEDN-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cc(F)cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203363 945988138 /nfs/dbraw/zinc/98/81/38/945988138.db2.gz PXPIKNJEPDIEDN-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823277225 946397156 /nfs/dbraw/zinc/39/71/56/946397156.db2.gz HFBRLBZOUVVNSE-UHFFFAOYSA-N -2 3 393.342 0.866 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1nn(-c2ccccc2)cc1[O-] ZINC000826445179 948309301 /nfs/dbraw/zinc/30/93/01/948309301.db2.gz JXJCQSCIAIVISY-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nn(-c2ccccc2)cc1[O-] ZINC000826445179 948309309 /nfs/dbraw/zinc/30/93/09/948309309.db2.gz JXJCQSCIAIVISY-UHFFFAOYSA-N -3 3 379.340 0.161 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594075129 958212931 /nfs/dbraw/zinc/21/29/31/958212931.db2.gz CTXMFABQEHCKEB-SNVBAGLBSA-N -2 3 386.158 0.448 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)cc1C(=O)[O-] ZINC000751278890 978691958 /nfs/dbraw/zinc/69/19/58/978691958.db2.gz FMGJBAVYKAZUCJ-UHFFFAOYSA-N -3 3 397.434 0.494 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)c(CC(=O)[O-])c1 ZINC001599616812 994025667 /nfs/dbraw/zinc/02/56/67/994025667.db2.gz DJJOCABIFRJSRH-UHFFFAOYSA-N -3 3 382.394 0.858 20 50 GCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000823277601 599558130 /nfs/dbraw/zinc/55/81/30/599558130.db2.gz RLADCNONIYJYLL-UHFFFAOYSA-N -2 3 384.312 0.947 20 50 GCGDHL O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000823277601 599558131 /nfs/dbraw/zinc/55/81/31/599558131.db2.gz RLADCNONIYJYLL-UHFFFAOYSA-N -2 3 384.312 0.947 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccc(C)o1 ZINC000831373278 601785606 /nfs/dbraw/zinc/78/56/06/601785606.db2.gz DYNLJDVPAQBVSG-UHFFFAOYSA-N -3 3 382.350 0.696 20 50 GCGDHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(O)c1 ZINC000826281905 607533741 /nfs/dbraw/zinc/53/37/41/607533741.db2.gz PAFAQAZKCIXIGN-UHFFFAOYSA-N -2 3 388.409 0.812 20 50 GCGDHL O=C([O-])N1CC(NC(=O)N[N-]C(=O)c2ccc(F)cc2Br)C1 ZINC000831742330 604606233 /nfs/dbraw/zinc/60/62/33/604606233.db2.gz ATKIARIKMHPHQY-UHFFFAOYSA-N -2 3 375.154 0.894 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c(OC)c1C(=O)[O-] ZINC000833734301 604861098 /nfs/dbraw/zinc/86/10/98/604861098.db2.gz USABLYLIAOFJSV-UHFFFAOYSA-N -3 3 384.366 0.927 20 50 GCGDHL O=C([N-]NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823277726 606519187 /nfs/dbraw/zinc/51/91/87/606519187.db2.gz VIUKWMHWTLEIMV-UHFFFAOYSA-N -2 3 382.365 0.652 20 50 GCGDHL Cc1cnn(Cc2cc(C(=O)[N-]NC(=O)c3ccc(-c4nnn[n-]4)cc3)no2)c1 ZINC000826320045 607889590 /nfs/dbraw/zinc/88/95/90/607889590.db2.gz DZUOTOCUEPSTTB-UHFFFAOYSA-N -2 3 393.367 0.483 20 50 GCGDHL Cc1cnn(Cc2cc(C(=O)[N-]NC(=O)c3ccc(-c4nn[n-]n4)cc3)no2)c1 ZINC000826320045 607889591 /nfs/dbraw/zinc/88/95/91/607889591.db2.gz DZUOTOCUEPSTTB-UHFFFAOYSA-N -2 3 393.367 0.483 20 50 GCGDHL COc1ncnc(OC)c1C(=O)[N-]N=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826222400 608627807 /nfs/dbraw/zinc/62/78/07/608627807.db2.gz VJIHIWSYUIBSRM-UHFFFAOYSA-N -2 3 377.752 0.479 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)NCC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260138 609543522 /nfs/dbraw/zinc/54/35/22/609543522.db2.gz YDTIRQLTXHSKQY-UHFFFAOYSA-N -2 3 381.400 0.715 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)NCC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260138 609543523 /nfs/dbraw/zinc/54/35/23/609543523.db2.gz YDTIRQLTXHSKQY-UHFFFAOYSA-N -2 3 381.400 0.715 20 50 GCGDHL Cn1nc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1C1CC1 ZINC000737623247 945104734 /nfs/dbraw/zinc/10/47/34/945104734.db2.gz RNMNWDYVSVXSJP-UHFFFAOYSA-N -2 3 382.384 0.318 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000738134439 945221073 /nfs/dbraw/zinc/22/10/73/945221073.db2.gz MRUIRBQCHADIRO-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000738134439 945221080 /nfs/dbraw/zinc/22/10/80/945221080.db2.gz MRUIRBQCHADIRO-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134487 945221308 /nfs/dbraw/zinc/22/13/08/945221308.db2.gz OQJQHHHJVHUVPE-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134487 945221317 /nfs/dbraw/zinc/22/13/17/945221317.db2.gz OQJQHHHJVHUVPE-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(Cl)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134860 945224704 /nfs/dbraw/zinc/22/47/04/945224704.db2.gz WJXNMJJSVDZLKD-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc(Cl)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134860 945224706 /nfs/dbraw/zinc/22/47/06/945224706.db2.gz WJXNMJJSVDZLKD-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738134907 945224947 /nfs/dbraw/zinc/22/49/47/945224947.db2.gz YKEIEJSWBYMFHP-UHFFFAOYSA-N -2 3 393.323 0.726 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738134907 945224958 /nfs/dbraw/zinc/22/49/58/945224958.db2.gz YKEIEJSWBYMFHP-UHFFFAOYSA-N -2 3 393.323 0.726 20 50 GCGDHL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000819891599 945307576 /nfs/dbraw/zinc/30/75/76/945307576.db2.gz CNMDMUGHPTWBGV-UHFFFAOYSA-N -2 3 397.399 0.148 20 50 GCGDHL CC(C)(C)C(=O)Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000819891599 945307585 /nfs/dbraw/zinc/30/75/85/945307585.db2.gz CNMDMUGHPTWBGV-UHFFFAOYSA-N -2 3 397.399 0.148 20 50 GCGDHL CC(C)Cn1cnc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820112301 945352944 /nfs/dbraw/zinc/35/29/44/945352944.db2.gz QSWJATULHMQXCG-UHFFFAOYSA-N -2 3 390.429 0.343 20 50 GCGDHL CC(C)Cn1cnc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820112301 945352957 /nfs/dbraw/zinc/35/29/57/945352957.db2.gz QSWJATULHMQXCG-UHFFFAOYSA-N -2 3 390.429 0.343 20 50 GCGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000735636344 944681007 /nfs/dbraw/zinc/68/10/07/944681007.db2.gz VKCXCNKMUWGMOK-UHFFFAOYSA-N -2 3 396.433 0.397 20 50 GCGDHL CC(C)n1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735961870 944726575 /nfs/dbraw/zinc/72/65/75/944726575.db2.gz VHBZTAYEBPWEOW-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CC(C)n1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735961870 944726584 /nfs/dbraw/zinc/72/65/84/944726584.db2.gz VHBZTAYEBPWEOW-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000737114534 944961189 /nfs/dbraw/zinc/96/11/89/944961189.db2.gz GVNRXYOTJZLULX-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737114534 944961194 /nfs/dbraw/zinc/96/11/94/944961194.db2.gz GVNRXYOTJZLULX-UHFFFAOYSA-N -2 3 388.409 0.807 20 50 GCGDHL CS(=O)(=O)Cc1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737162590 944971804 /nfs/dbraw/zinc/97/18/04/944971804.db2.gz NKPKNEQVSQUUDY-UHFFFAOYSA-N -2 3 390.381 0.079 20 50 GCGDHL CS(=O)(=O)Cc1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737162590 944971814 /nfs/dbraw/zinc/97/18/14/944971814.db2.gz NKPKNEQVSQUUDY-UHFFFAOYSA-N -2 3 390.381 0.079 20 50 GCGDHL Cc1cc(F)ccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737269330 945025537 /nfs/dbraw/zinc/02/55/37/945025537.db2.gz DGHMUITYSCGXIK-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1cc(F)ccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737269330 945025545 /nfs/dbraw/zinc/02/55/45/945025545.db2.gz DGHMUITYSCGXIK-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(F)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737347919 945047656 /nfs/dbraw/zinc/04/76/56/945047656.db2.gz UQRCXXNVRWFZON-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(F)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737347919 945047663 /nfs/dbraw/zinc/04/76/63/945047663.db2.gz UQRCXXNVRWFZON-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NNC(=O)c1ccccc1[O-] ZINC000822004824 945917480 /nfs/dbraw/zinc/91/74/80/945917480.db2.gz LIKVGCRCQLEQKZ-UHFFFAOYSA-N -2 3 397.395 0.684 20 50 GCGDHL Cc1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822034990 945956688 /nfs/dbraw/zinc/95/66/88/945956688.db2.gz NSNDXKOIDHRWCY-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822034990 945956694 /nfs/dbraw/zinc/95/66/94/945956694.db2.gz NSNDXKOIDHRWCY-UHFFFAOYSA-N -2 3 376.373 0.938 20 50 GCGDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]NC(=O)c1ccc(Cl)nc1 ZINC000822224135 946001839 /nfs/dbraw/zinc/00/18/39/946001839.db2.gz XJWROFPJTYJAOC-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822542064 946121823 /nfs/dbraw/zinc/12/18/23/946121823.db2.gz UJBJWWMUROQAIZ-UHFFFAOYSA-N -3 3 392.353 0.090 20 50 GCGDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000822645846 946145134 /nfs/dbraw/zinc/14/51/34/946145134.db2.gz SDCWKYRHWGPAME-UHFFFAOYSA-N -2 3 378.352 0.935 20 50 GCGDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000822645846 946145142 /nfs/dbraw/zinc/14/51/42/946145142.db2.gz SDCWKYRHWGPAME-UHFFFAOYSA-N -2 3 378.352 0.935 20 50 GCGDHL Cn1nc(C(=O)N[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2c1=O ZINC000822705115 946164608 /nfs/dbraw/zinc/16/46/08/946164608.db2.gz WAYZYKFLHZTLGN-UHFFFAOYSA-N -2 3 396.392 0.250 20 50 GCGDHL O=C([N-]NC(=O)[C@H]1Cc2ccccc2O1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823273106 946371612 /nfs/dbraw/zinc/37/16/12/946371612.db2.gz DNWCIKHKWDULOX-CYBMUJFWSA-N -2 3 386.318 0.910 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)[C@]2(C(=O)[O-])CCCO2)c1 ZINC001594075375 958216568 /nfs/dbraw/zinc/21/65/68/958216568.db2.gz NSTMVGAJYCTFSJ-AWEZNQCLSA-N -2 3 387.186 0.853 20 50 GCGDHL O=C([O-])CN1CCCC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Cl)C1=O ZINC001574723614 962800830 /nfs/dbraw/zinc/80/08/30/962800830.db2.gz KLJUDHBPFPVMDS-GFCCVEGCSA-N -2 3 382.804 0.750 20 50 GCGDHL O=C([O-])CN1CCCC[C@H](NC(=O)N[N-]C(=O)c2ccccc2Cl)C1=O ZINC001574723615 962800971 /nfs/dbraw/zinc/80/09/71/962800971.db2.gz KLJUDHBPFPVMDS-LBPRGKRZSA-N -2 3 382.804 0.750 20 50 GCGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2ccco2)cc1C(=O)[O-] ZINC000751282107 978692120 /nfs/dbraw/zinc/69/21/20/978692120.db2.gz JGZIDVSSDXOZMZ-UHFFFAOYSA-N -3 3 381.366 0.026 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000777940126 978782061 /nfs/dbraw/zinc/78/20/61/978782061.db2.gz WOBACAPQNNNUBE-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000777941908 978782087 /nfs/dbraw/zinc/78/20/87/978782087.db2.gz YKCFXEKDRFGBEH-UHFFFAOYSA-N -3 3 391.377 0.358 20 50 GCGDHL C[N-]S(=O)(=O)c1cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c(C)o1 ZINC001598673771 994805362 /nfs/dbraw/zinc/80/53/62/994805362.db2.gz AKWSEVHOOVECPW-UHFFFAOYSA-N -2 3 383.382 0.960 20 50 GCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c1 ZINC001599281254 996899042 /nfs/dbraw/zinc/89/90/42/996899042.db2.gz UJTXQDJGMHGGPR-UHFFFAOYSA-N -3 3 379.394 0.478 20 50 GCGDHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)c1 ZINC001599281537 996899943 /nfs/dbraw/zinc/89/99/43/996899943.db2.gz YTLHLJXWIUHCNY-UHFFFAOYSA-N -3 3 383.382 0.817 20 50 GCGDHL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)c1OC ZINC001599400446 997205383 /nfs/dbraw/zinc/20/53/83/997205383.db2.gz UBMOMNTXCYMVSG-WAYWQWQTSA-N -3 3 387.414 0.703 20 50 GCGDHL COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)c1OC ZINC001599400445 997205817 /nfs/dbraw/zinc/20/58/17/997205817.db2.gz UBMOMNTXCYMVSG-AATRIKPKSA-N -3 3 387.414 0.703 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)Cn2ccc(C(=O)[O-])n2)c1 ZINC001599474866 998512474 /nfs/dbraw/zinc/51/24/74/998512474.db2.gz KAEHUKJJNIURFI-UHFFFAOYSA-N -2 3 397.185 0.814 20 50 GCGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)cn1 ZINC000833274868 601335857 /nfs/dbraw/zinc/33/58/57/601335857.db2.gz LDAFUSGYZAALIS-UHFFFAOYSA-N -3 3 376.753 0.384 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826303288 607536395 /nfs/dbraw/zinc/53/63/95/607536395.db2.gz INZBXPQQNISYDN-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826303288 607536397 /nfs/dbraw/zinc/53/63/97/607536397.db2.gz INZBXPQQNISYDN-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cccnc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826308257 607682832 /nfs/dbraw/zinc/68/28/32/607682832.db2.gz QFWZUMTUSKGMEZ-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc2nonc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823280555 607001133 /nfs/dbraw/zinc/00/11/33/607001133.db2.gz AUHWWIDMCUYUFS-UHFFFAOYSA-N -2 3 386.353 0.026 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc2nonc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823280555 607001135 /nfs/dbraw/zinc/00/11/35/607001135.db2.gz AUHWWIDMCUYUFS-UHFFFAOYSA-N -2 3 386.353 0.026 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000823277546 607040735 /nfs/dbraw/zinc/04/07/35/607040735.db2.gz PNOZPBLQDVXRDW-UHFFFAOYSA-N -2 3 393.342 0.866 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2c[nH]nc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826322523 609153965 /nfs/dbraw/zinc/15/39/65/609153965.db2.gz QKWYTPJZTUENCH-UHFFFAOYSA-N -2 3 392.383 0.467 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)c2c[nH]nc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826322523 609153967 /nfs/dbraw/zinc/15/39/67/609153967.db2.gz QKWYTPJZTUENCH-UHFFFAOYSA-N -2 3 392.383 0.467 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[n-]c1C ZINC000825565508 609397032 /nfs/dbraw/zinc/39/70/32/609397032.db2.gz UEQZDRCUVVTBGG-UHFFFAOYSA-N -2 3 398.383 0.664 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)COc2ccccc2-c2nnn[n-]2)[n-]c1C ZINC000825565298 609397353 /nfs/dbraw/zinc/39/73/53/609397353.db2.gz QLWCFLAHPFIGMW-UHFFFAOYSA-N -2 3 398.383 0.664 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)COc2ccccc2-c2nn[n-]n2)[n-]c1C ZINC000825565298 609397354 /nfs/dbraw/zinc/39/73/54/609397354.db2.gz QLWCFLAHPFIGMW-UHFFFAOYSA-N -2 3 398.383 0.664 20 50 GCGDHL COCc1ccccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165227 609423572 /nfs/dbraw/zinc/42/35/72/609423572.db2.gz LAQMBKPWXKDOMW-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1ccccc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165227 609423574 /nfs/dbraw/zinc/42/35/74/609423574.db2.gz LAQMBKPWXKDOMW-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL Cc1[nH]nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1Br ZINC000737453614 945071804 /nfs/dbraw/zinc/07/18/04/945071804.db2.gz PYOOMMZJAZTHGP-UHFFFAOYSA-N -2 3 391.189 0.736 20 50 GCGDHL Cc1ncsc1C(=O)[N-]NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737500128 945084389 /nfs/dbraw/zinc/08/43/89/945084389.db2.gz OFVRSWXGCWLNAV-WCIBSUBMSA-N -2 3 397.424 0.647 20 50 GCGDHL Cn1cc(Br)cc1C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737601766 945100552 /nfs/dbraw/zinc/10/05/52/945100552.db2.gz FBFWSGHIEJOOSN-UHFFFAOYSA-N -2 3 391.189 0.438 20 50 GCGDHL Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)n1 ZINC000737604521 945102674 /nfs/dbraw/zinc/10/26/74/945102674.db2.gz WKIQQPLCXBQDLS-UHFFFAOYSA-N -2 3 380.290 0.694 20 50 GCGDHL Cn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)n1 ZINC000737604521 945102678 /nfs/dbraw/zinc/10/26/78/945102678.db2.gz WKIQQPLCXBQDLS-UHFFFAOYSA-N -2 3 380.290 0.694 20 50 GCGDHL N#Cc1cccc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737722203 945116281 /nfs/dbraw/zinc/11/62/81/945116281.db2.gz FUBBHGHJASEUSN-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737918541 945152061 /nfs/dbraw/zinc/15/20/61/945152061.db2.gz JKUXFBSBGOCQSF-UHFFFAOYSA-N -2 3 379.340 0.834 20 50 GCGDHL O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737987102 945172419 /nfs/dbraw/zinc/17/24/19/945172419.db2.gz REMRHPBFQFHYSK-UHFFFAOYSA-N -2 3 398.408 0.226 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738134247 945216590 /nfs/dbraw/zinc/21/65/90/945216590.db2.gz HVKIQDWFOWYEOX-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738134247 945216596 /nfs/dbraw/zinc/21/65/96/945216596.db2.gz HVKIQDWFOWYEOX-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)c1cn[nH]n1 ZINC000738134450 945220592 /nfs/dbraw/zinc/22/05/92/945220592.db2.gz NAQIVQOGCKPVCW-UHFFFAOYSA-N -2 3 375.352 0.727 20 50 GCGDHL O=C([N-]NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)c1cn[nH]n1 ZINC000738134450 945220597 /nfs/dbraw/zinc/22/05/97/945220597.db2.gz NAQIVQOGCKPVCW-UHFFFAOYSA-N -2 3 375.352 0.727 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnc(N2CCCC2)n1 ZINC000738134839 945223109 /nfs/dbraw/zinc/22/31/09/945223109.db2.gz VBXMJGGPOLUOAC-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnc(N2CCCC2)n1 ZINC000738134839 945223118 /nfs/dbraw/zinc/22/31/18/945223118.db2.gz VBXMJGGPOLUOAC-UHFFFAOYSA-N -2 3 379.384 0.332 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(-n2cccn2)n1 ZINC000738134918 945224996 /nfs/dbraw/zinc/22/49/96/945224996.db2.gz YWMOAINMGPWBSZ-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cccn2)n1 ZINC000738134918 945225002 /nfs/dbraw/zinc/22/50/02/945225002.db2.gz YWMOAINMGPWBSZ-UHFFFAOYSA-N -2 3 375.352 0.522 20 50 GCGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(-c2ccccc2)[nH]n1 ZINC000738136192 945231318 /nfs/dbraw/zinc/23/13/18/945231318.db2.gz HFAAZWPCOFQNDM-UHFFFAOYSA-N -2 3 375.352 0.727 20 50 GCGDHL CCn1nc(C)c(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736730842 944878746 /nfs/dbraw/zinc/87/87/46/944878746.db2.gz IAVBMTWGWPVKAM-UHFFFAOYSA-N -2 3 390.429 0.323 20 50 GCGDHL CCn1nc(C)c(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736730842 944878756 /nfs/dbraw/zinc/87/87/56/944878756.db2.gz IAVBMTWGWPVKAM-UHFFFAOYSA-N -2 3 390.429 0.323 20 50 GCGDHL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1 ZINC000737223738 945016059 /nfs/dbraw/zinc/01/60/59/945016059.db2.gz DQDBQGVWKPXPIW-UHFFFAOYSA-N -2 3 377.386 0.461 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000737283212 945030410 /nfs/dbraw/zinc/03/04/10/945030410.db2.gz OIFIBZBELVLPQZ-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000737283212 945030422 /nfs/dbraw/zinc/03/04/22/945030422.db2.gz OIFIBZBELVLPQZ-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737307483 945034646 /nfs/dbraw/zinc/03/46/46/945034646.db2.gz YHNDEYURNLAGIP-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737307483 945034655 /nfs/dbraw/zinc/03/46/55/945034655.db2.gz YHNDEYURNLAGIP-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL CS(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821936509 945905648 /nfs/dbraw/zinc/90/56/48/945905648.db2.gz BFAYFGWVORQQJN-UHFFFAOYSA-N -2 3 392.422 0.407 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823036983 946286763 /nfs/dbraw/zinc/28/67/63/946286763.db2.gz OZDKJEDZMDSPHM-UHFFFAOYSA-N -2 3 399.323 0.321 20 50 GCGDHL O=C(Cc1cn2ccccc2n1)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823118532 946322835 /nfs/dbraw/zinc/32/28/35/946322835.db2.gz DBJDHJOVGMSHJL-UHFFFAOYSA-N -2 3 398.333 0.796 20 50 GCGDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823246119 946356093 /nfs/dbraw/zinc/35/60/93/946356093.db2.gz CBBCNVUOFZSTIK-UHFFFAOYSA-N -2 3 398.339 0.625 20 50 GCGDHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[N-]C(=O)c1cnsn1 ZINC001574083407 948879805 /nfs/dbraw/zinc/87/98/05/948879805.db2.gz SFBXVBLVZFUKST-LBPRGKRZSA-N -2 3 388.413 0.583 20 50 GCGDHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[N-]C(=O)c1cnsn1 ZINC001574083407 948879821 /nfs/dbraw/zinc/87/98/21/948879821.db2.gz SFBXVBLVZFUKST-LBPRGKRZSA-N -2 3 388.413 0.583 20 50 GCGDHL CCCn1nc(C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)c2ccccc2c1=O ZINC001589695465 950162910 /nfs/dbraw/zinc/16/29/10/950162910.db2.gz DTJYSGPYXIVFRA-UHFFFAOYSA-N -2 3 395.375 0.975 20 50 GCGDHL O=C([O-])C1(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)CCS(=O)(=O)CC1 ZINC001594783208 953653410 /nfs/dbraw/zinc/65/34/10/953653410.db2.gz WDTNFZFZJAHNKD-UHFFFAOYSA-N -2 3 391.405 0.275 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc(C(=O)[O-])n[nH]2)c1 ZINC001594075427 958219056 /nfs/dbraw/zinc/21/90/56/958219056.db2.gz PYSQWUUTXUETMU-UHFFFAOYSA-N -2 3 383.158 0.954 20 50 GCGDHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC000267043820 962762556 /nfs/dbraw/zinc/76/25/56/962762556.db2.gz MSORUQIHUKPYJS-UHFFFAOYSA-N -3 3 377.806 0.582 20 50 GCGDHL O=C([O-])Cn1cccc(C(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)c1=O ZINC001606355230 973808973 /nfs/dbraw/zinc/80/89/73/973808973.db2.gz MMEGAOKGIVBOGT-UHFFFAOYSA-N -2 3 381.348 0.193 20 50 GCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1 ZINC000737719625 978439180 /nfs/dbraw/zinc/43/91/80/978439180.db2.gz ZUAUIXCMMSRUBJ-UHFFFAOYSA-N -3 3 376.412 0.733 20 50 GCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCCC2)c1 ZINC001598921940 997583997 /nfs/dbraw/zinc/58/39/97/997583997.db2.gz DNOFQPBNRCWKPN-UHFFFAOYSA-N -3 3 399.425 0.997 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccn2)no1 ZINC000823277770 599700314 /nfs/dbraw/zinc/70/03/14/599700314.db2.gz WJHVVINVAMCVRH-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccn2)no1 ZINC000823277770 599700315 /nfs/dbraw/zinc/70/03/15/599700315.db2.gz WJHVVINVAMCVRH-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL COc1ccc(Br)c(C(=O)[N-]NC(=O)NC2CN(C(=O)[O-])C2)c1 ZINC000829260003 604604413 /nfs/dbraw/zinc/60/44/13/604604413.db2.gz PUHLNCGQCCMIAG-UHFFFAOYSA-N -2 3 387.190 0.764 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)c(OC)c1C(=O)[O-] ZINC000833734168 604861222 /nfs/dbraw/zinc/86/12/22/604861222.db2.gz LVWFRAZZXWKJNN-UHFFFAOYSA-N -3 3 398.393 0.937 20 50 GCGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)c2ncccc2C)c1 ZINC000833715681 605052288 /nfs/dbraw/zinc/05/22/88/605052288.db2.gz WDABBUIZNUDEFH-UHFFFAOYSA-N -3 3 393.377 0.498 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277852 606583053 /nfs/dbraw/zinc/58/30/53/606583053.db2.gz YZBYCFGSZCAQDV-UHFFFAOYSA-N -3 3 396.392 0.894 20 50 GCGDHL O=C([N-]NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nn(-c2ccccc2)cc1[O-] ZINC000823277852 606583054 /nfs/dbraw/zinc/58/30/54/606583054.db2.gz YZBYCFGSZCAQDV-UHFFFAOYSA-N -3 3 396.392 0.894 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)C1CCCC1 ZINC000823280568 607154291 /nfs/dbraw/zinc/15/42/91/607154291.db2.gz BNCXDKAJNIVEFS-UHFFFAOYSA-N -2 3 381.374 0.275 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826445102 609311912 /nfs/dbraw/zinc/31/19/12/609311912.db2.gz HAPDWSKTSSYRFG-UHFFFAOYSA-N -2 3 388.365 0.219 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826445102 609311913 /nfs/dbraw/zinc/31/19/13/609311913.db2.gz HAPDWSKTSSYRFG-UHFFFAOYSA-N -2 3 388.365 0.219 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)COc2cccc(-c3nnn[n-]3)c2)[n-]c1C ZINC000825564641 609397154 /nfs/dbraw/zinc/39/71/54/609397154.db2.gz BHBVYZXVBYNRRK-UHFFFAOYSA-N -2 3 398.383 0.664 20 50 GCGDHL CCOC(=O)c1cnc(=NNC(=O)COc2cccc(-c3nn[n-]n3)c2)[n-]c1C ZINC000825564641 609397155 /nfs/dbraw/zinc/39/71/55/609397155.db2.gz BHBVYZXVBYNRRK-UHFFFAOYSA-N -2 3 398.383 0.664 20 50 GCGDHL C=CCNC(=S)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823925120 609535482 /nfs/dbraw/zinc/53/54/82/609535482.db2.gz DSXPWNCJXGGZBV-UHFFFAOYSA-N -2 3 383.441 0.656 20 50 GCGDHL C=CCNC(=S)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823925120 609535484 /nfs/dbraw/zinc/53/54/84/609535484.db2.gz DSXPWNCJXGGZBV-UHFFFAOYSA-N -2 3 383.441 0.656 20 50 GCGDHL Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737552915 945094421 /nfs/dbraw/zinc/09/44/21/945094421.db2.gz SRLGXIUGTSRZKI-UHFFFAOYSA-N -2 3 380.324 0.492 20 50 GCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737723212 945117053 /nfs/dbraw/zinc/11/70/53/945117053.db2.gz SJPHTWXSSNZLRC-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL N#Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737723212 945117058 /nfs/dbraw/zinc/11/70/58/945117058.db2.gz SJPHTWXSSNZLRC-UHFFFAOYSA-N -2 3 387.356 0.501 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ccnc(C2CC2)n1 ZINC000737918795 945151593 /nfs/dbraw/zinc/15/15/93/945151593.db2.gz LNFQNGDUMDMMMC-UHFFFAOYSA-N -2 3 380.368 0.374 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134031 945214962 /nfs/dbraw/zinc/21/49/62/945214962.db2.gz CYGCNZLGCHUNKU-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134031 945214967 /nfs/dbraw/zinc/21/49/67/945214967.db2.gz CYGCNZLGCHUNKU-UHFFFAOYSA-N -2 3 398.326 0.907 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cn2cccn2)o1 ZINC000738135655 945226572 /nfs/dbraw/zinc/22/65/72/945226572.db2.gz AFDLZMPWROZMTB-UHFFFAOYSA-N -2 3 378.352 0.779 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cn2cccn2)o1 ZINC000738135655 945226580 /nfs/dbraw/zinc/22/65/80/945226580.db2.gz AFDLZMPWROZMTB-UHFFFAOYSA-N -2 3 378.352 0.779 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccnc2)on1 ZINC000738136374 945233685 /nfs/dbraw/zinc/23/36/85/945233685.db2.gz KYWRZONZMPZINI-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccnc2)on1 ZINC000738136374 945233695 /nfs/dbraw/zinc/23/36/95/945233695.db2.gz KYWRZONZMPZINI-UHFFFAOYSA-N -2 3 376.336 0.992 20 50 GCGDHL CC(C)c1n[nH]c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000820183623 945366470 /nfs/dbraw/zinc/36/64/70/945366470.db2.gz HIBOQEORAVVIBT-UHFFFAOYSA-N -2 3 385.344 0.696 20 50 GCGDHL CC(C)Oc1cccnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820178589 945367538 /nfs/dbraw/zinc/36/75/38/945367538.db2.gz VEURCXFWESWDDX-UHFFFAOYSA-N -2 3 397.395 0.889 20 50 GCGDHL CC(=O)c1csc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505693 944669469 /nfs/dbraw/zinc/66/94/69/944669469.db2.gz VCJXIJPTGKKLNY-UHFFFAOYSA-N -2 3 386.393 0.971 20 50 GCGDHL COc1cc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)cc(OC)c1OC ZINC000737039612 944936896 /nfs/dbraw/zinc/93/68/96/944936896.db2.gz AHOBGFKRLSPTLI-UHFFFAOYSA-N -2 3 399.367 0.362 20 50 GCGDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]NC(=O)c1ccc(Cl)nc1 ZINC000822153851 945966577 /nfs/dbraw/zinc/96/65/77/945966577.db2.gz PZKIQGDECDHHII-UHFFFAOYSA-N -2 3 393.816 0.847 20 50 GCGDHL Cc1cc(C)n(CC(=O)N[N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822197972 945981916 /nfs/dbraw/zinc/98/19/16/945981916.db2.gz WVNMIGLMSJVEHM-UHFFFAOYSA-N -2 3 376.327 0.419 20 50 GCGDHL Cc1nc(C)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822431817 946088887 /nfs/dbraw/zinc/08/88/87/946088887.db2.gz KWEDHVRMISTDHJ-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1nc(C)c(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822431817 946088901 /nfs/dbraw/zinc/08/89/01/946088901.db2.gz KWEDHVRMISTDHJ-UHFFFAOYSA-N -2 3 379.427 0.563 20 50 GCGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822540800 946117853 /nfs/dbraw/zinc/11/78/53/946117853.db2.gz GYNDYIDKTCLCLD-UHFFFAOYSA-N -3 3 392.353 0.090 20 50 GCGDHL O=C(NCc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823257273 946358342 /nfs/dbraw/zinc/35/83/42/946358342.db2.gz GZSPCEIMOJBAJE-UHFFFAOYSA-N -2 3 398.339 0.625 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cn(Cc2cccs2)nn1 ZINC000823277075 946394848 /nfs/dbraw/zinc/39/48/48/946394848.db2.gz DJUHKMBEPVSFFD-UHFFFAOYSA-N -2 3 395.408 0.643 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cn(Cc2cccs2)nn1 ZINC000823277075 946394855 /nfs/dbraw/zinc/39/48/55/946394855.db2.gz DJUHKMBEPVSFFD-UHFFFAOYSA-N -2 3 395.408 0.643 20 50 GCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)c(C(=O)[O-])s1 ZINC000737679789 978429222 /nfs/dbraw/zinc/42/92/22/978429222.db2.gz DJPQVFCFMWQPAT-UHFFFAOYSA-N -3 3 378.428 0.979 20 50 GCGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000739022029 978613112 /nfs/dbraw/zinc/61/31/12/978613112.db2.gz GUBGHWMZVRLBBU-UHFFFAOYSA-N -3 3 380.407 0.956 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000777939012 978781860 /nfs/dbraw/zinc/78/18/60/978781860.db2.gz IKFRWDXVEMPYHD-UHFFFAOYSA-N -3 3 379.416 0.281 20 50 GCGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c(C(=O)[O-])s1 ZINC000831348388 601785551 /nfs/dbraw/zinc/78/55/51/601785551.db2.gz HZUAKDSMNBOUPZ-UHFFFAOYSA-N -3 3 388.379 0.758 20 50 GCGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1ccc(C)o1 ZINC000831470113 601785598 /nfs/dbraw/zinc/78/55/98/601785598.db2.gz DRSQLEQUEWXOKN-UHFFFAOYSA-N -3 3 388.379 0.758 20 50 GCGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c(OC)c1C(=O)[O-] ZINC000833734108 604861279 /nfs/dbraw/zinc/86/12/79/604861279.db2.gz GLTPLJZXAPTEQA-UHFFFAOYSA-N -3 3 395.393 0.349 20 50 GCGDHL CC(C)(C)OC(=O)NCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833437595 605289937 /nfs/dbraw/zinc/28/99/37/605289937.db2.gz COPKPEUGQTXFIH-UHFFFAOYSA-N -3 3 379.416 0.281 20 50 GCGDHL CC(C)n1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824378006 607816834 /nfs/dbraw/zinc/81/68/34/607816834.db2.gz VTWJJAIOWGIMOF-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CC(C)n1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824378006 607816835 /nfs/dbraw/zinc/81/68/35/607816835.db2.gz VTWJJAIOWGIMOF-UHFFFAOYSA-N -2 3 376.402 0.267 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824113962 608206296 /nfs/dbraw/zinc/20/62/96/608206296.db2.gz HCGZUMQHEIRCDW-UHFFFAOYSA-N -2 3 390.404 0.328 20 50 GCGDHL CCn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nc1C ZINC000825804719 608490329 /nfs/dbraw/zinc/49/03/29/608490329.db2.gz FCHYUJCVHHVNKS-UHFFFAOYSA-N -2 3 376.402 0.015 20 50 GCGDHL CCn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nc1C ZINC000825804719 608490331 /nfs/dbraw/zinc/49/03/31/608490331.db2.gz FCHYUJCVHHVNKS-UHFFFAOYSA-N -2 3 376.402 0.015 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)N2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259967 609545762 /nfs/dbraw/zinc/54/57/62/609545762.db2.gz OSAUWAWTAQEMBR-UHFFFAOYSA-N -2 3 397.399 0.047 20 50 GCGDHL Cc1cc(C(=O)[N-]NC(=O)N2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259967 609545763 /nfs/dbraw/zinc/54/57/63/609545763.db2.gz OSAUWAWTAQEMBR-UHFFFAOYSA-N -2 3 397.399 0.047 20 50 GCGDHL Cc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000737468399 945076196 /nfs/dbraw/zinc/07/61/96/945076196.db2.gz YUULTDGDJFOZAJ-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000737468399 945076204 /nfs/dbraw/zinc/07/62/04/945076204.db2.gz YUULTDGDJFOZAJ-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737552390 945094861 /nfs/dbraw/zinc/09/48/61/945094861.db2.gz OPKXGJUUOUCUJS-UHFFFAOYSA-N -2 3 394.351 0.090 20 50 GCGDHL Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737552390 945094869 /nfs/dbraw/zinc/09/48/69/945094869.db2.gz OPKXGJUUOUCUJS-UHFFFAOYSA-N -2 3 394.351 0.090 20 50 GCGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737916992 945149931 /nfs/dbraw/zinc/14/99/31/945149931.db2.gz RPFSHWKFYGSIAB-UHFFFAOYSA-N -2 3 388.409 0.393 20 50 GCGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737916992 945149935 /nfs/dbraw/zinc/14/99/35/945149935.db2.gz RPFSHWKFYGSIAB-UHFFFAOYSA-N -2 3 388.409 0.393 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134463 945220675 /nfs/dbraw/zinc/22/06/75/945220675.db2.gz NHXGNHRJYZBIKM-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134463 945220681 /nfs/dbraw/zinc/22/06/81/945220681.db2.gz NHXGNHRJYZBIKM-UHFFFAOYSA-N -2 3 380.336 0.768 20 50 GCGDHL O=C([N-]NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnccn1 ZINC000738134655 945220727 /nfs/dbraw/zinc/22/07/27/945220727.db2.gz PXKYBFKVYBNZNE-UHFFFAOYSA-N -2 3 375.805 0.942 20 50 GCGDHL O=C([N-]NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnccn1 ZINC000738134655 945220734 /nfs/dbraw/zinc/22/07/34/945220734.db2.gz PXKYBFKVYBNZNE-UHFFFAOYSA-N -2 3 375.805 0.942 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc(-c2ncccn2)n1 ZINC000738134666 945221570 /nfs/dbraw/zinc/22/15/70/945221570.db2.gz QATIWGCCEKEUOS-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc(-c2ncccn2)n1 ZINC000738134666 945221575 /nfs/dbraw/zinc/22/15/75/945221575.db2.gz QATIWGCCEKEUOS-UHFFFAOYSA-N -2 3 393.392 0.855 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134853 945223630 /nfs/dbraw/zinc/22/36/30/945223630.db2.gz VUJZRHDVOGJACU-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134853 945223637 /nfs/dbraw/zinc/22/36/37/945223637.db2.gz VUJZRHDVOGJACU-UHFFFAOYSA-N -2 3 389.353 0.398 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000738134899 945224353 /nfs/dbraw/zinc/22/43/53/945224353.db2.gz YBFJAKWBVVXWNP-UHFFFAOYSA-N -2 3 386.393 0.425 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000738134899 945224364 /nfs/dbraw/zinc/22/43/64/945224364.db2.gz YBFJAKWBVVXWNP-UHFFFAOYSA-N -2 3 386.393 0.425 20 50 GCGDHL CC(C)(C)CC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000819908127 945312561 /nfs/dbraw/zinc/31/25/61/945312561.db2.gz WPLZKGRDYNDSIZ-UHFFFAOYSA-N -2 3 383.390 0.521 20 50 GCGDHL CN(C)CC(=O)N[N-]C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736761458 944887145 /nfs/dbraw/zinc/88/71/45/944887145.db2.gz FYWPWPRWXWKSEP-UHFFFAOYSA-N -2 3 385.384 0.361 20 50 GCGDHL COc1ccc(NC(=S)N[N-]C(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000737104004 944959294 /nfs/dbraw/zinc/95/92/94/944959294.db2.gz NUNOQWFFVPBFAX-UHFFFAOYSA-N -2 3 376.427 0.963 20 50 GCGDHL Cc1c(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000737214577 945012733 /nfs/dbraw/zinc/01/27/33/945012733.db2.gz MUSOXUBAPPGAMC-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000737214577 945012737 /nfs/dbraw/zinc/01/27/37/945012737.db2.gz MUSOXUBAPPGAMC-UHFFFAOYSA-N -2 3 389.379 0.831 20 50 GCGDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737304838 945033839 /nfs/dbraw/zinc/03/38/39/945033839.db2.gz ARRCQOHIYYFJRY-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737304838 945033847 /nfs/dbraw/zinc/03/38/47/945033847.db2.gz ARRCQOHIYYFJRY-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL CCOc1cccnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821438314 945695525 /nfs/dbraw/zinc/69/55/25/945695525.db2.gz YSMNXHZGRJTETP-UHFFFAOYSA-N -2 3 383.368 0.500 20 50 GCGDHL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822535610 946118534 /nfs/dbraw/zinc/11/85/34/946118534.db2.gz YFCUSMBRJQRHLJ-UHFFFAOYSA-N -2 3 393.367 0.638 20 50 GCGDHL Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822535610 946118540 /nfs/dbraw/zinc/11/85/40/946118540.db2.gz YFCUSMBRJQRHLJ-UHFFFAOYSA-N -2 3 393.367 0.638 20 50 GCGDHL Cn1c(CC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000822596662 946133902 /nfs/dbraw/zinc/13/39/02/946133902.db2.gz PQGKWTHOBSZXMC-UHFFFAOYSA-N -2 3 382.409 0.819 20 50 GCGDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1 ZINC000822645509 946142364 /nfs/dbraw/zinc/14/23/64/946142364.db2.gz AXKTZIXTKDUYNV-UHFFFAOYSA-N -2 3 377.311 0.638 20 50 GCGDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1 ZINC000822645509 946142371 /nfs/dbraw/zinc/14/23/71/946142371.db2.gz AXKTZIXTKDUYNV-UHFFFAOYSA-N -2 3 377.311 0.638 20 50 GCGDHL O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[N-]C(=O)c1cccs1 ZINC000823026723 946277742 /nfs/dbraw/zinc/27/77/42/946277742.db2.gz CSILJENPFBEBSF-UHFFFAOYSA-N -2 3 378.395 0.608 20 50 GCGDHL O=C([N-]NC(=O)c1n[nH]c(=O)c2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823277264 946400326 /nfs/dbraw/zinc/40/03/26/946400326.db2.gz IOFPFHCRMWBSPX-UHFFFAOYSA-N -2 3 382.365 0.652 20 50 GCGDHL CC(C)c1nnsc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001574440938 949043277 /nfs/dbraw/zinc/04/32/77/949043277.db2.gz ZALMTXNULXUSLK-UHFFFAOYSA-N -2 3 388.413 0.682 20 50 GCGDHL CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001573851917 950296657 /nfs/dbraw/zinc/29/66/57/950296657.db2.gz AMSSQCLRJOLCJY-VIFPVBQESA-N -2 3 393.429 0.699 20 50 GCGDHL COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000272397243 962785789 /nfs/dbraw/zinc/78/57/89/962785789.db2.gz DRXGVRYJOUVYGN-UHFFFAOYSA-N -3 3 379.778 0.012 20 50 GCGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000733122998 978301185 /nfs/dbraw/zinc/30/11/85/978301185.db2.gz MLPMNADXJSSFOG-UHFFFAOYSA-N -3 3 389.393 0.532 20 50 GCGDHL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1OC ZINC000737873122 978452282 /nfs/dbraw/zinc/45/22/82/978452282.db2.gz QJODDSVBCTUBPZ-SREVYHEPSA-N -3 3 384.410 0.911 20 50 GCGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2ccco2)c1C ZINC000751283667 978691968 /nfs/dbraw/zinc/69/19/68/978691968.db2.gz ZAJXDIXVSUEPCF-UHFFFAOYSA-N -3 3 395.393 0.334 20 50 GCGDHL O=C([O-])c1cccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)c1 ZINC000751281031 978692072 /nfs/dbraw/zinc/69/20/72/978692072.db2.gz XITULEQUMWXRFV-UHFFFAOYSA-N -3 3 383.407 0.186 20 50 GCGDHL COC(=O)N[N-]C(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)[O-] ZINC001598884182 996861661 /nfs/dbraw/zinc/86/16/61/996861661.db2.gz MVDNNHLAKQWNOB-UHFFFAOYSA-N -2 3 378.110 0.612 20 50 GCGDHL COc1cc(OC)cc(C(=O)[N-]NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC001599450168 998079304 /nfs/dbraw/zinc/07/93/04/998079304.db2.gz DVRKMFBDSUFBEJ-UHFFFAOYSA-N -2 3 386.426 0.913 20 50 GCGDHL COCCOc1cc(C(=O)[O-])ccc1NC(=O)N[N-]C(=O)c1cnn(C)c1 ZINC001599254724 998292428 /nfs/dbraw/zinc/29/24/28/998292428.db2.gz BZDIPHZCAIWREE-UHFFFAOYSA-N -2 3 377.357 0.610 20 50 GCGDHL CS(=O)(=O)c1ccc(NC(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000832720016 600815079 /nfs/dbraw/zinc/81/50/79/600815079.db2.gz FJQHSQLHZMDTRA-UHFFFAOYSA-N -2 3 378.366 0.650 20 50 GCGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c1 ZINC000831242887 601785813 /nfs/dbraw/zinc/78/58/13/601785813.db2.gz SWWXHUZUEPBFAI-UHFFFAOYSA-N -3 3 382.350 0.696 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826303955 607536642 /nfs/dbraw/zinc/53/66/42/607536642.db2.gz OCSYTNOZJTYTFM-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL Cc1cccc(S(=O)(=O)[N-]NC(=O)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826303955 607536643 /nfs/dbraw/zinc/53/66/43/607536643.db2.gz OCSYTNOZJTYTFM-UHFFFAOYSA-N -2 3 383.393 0.670 20 50 GCGDHL CC(C)(C)OC(=O)NCCCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833442910 605028583 /nfs/dbraw/zinc/02/85/83/605028583.db2.gz RQVBINCISXBKED-UHFFFAOYSA-N -3 3 391.402 0.592 20 50 GCGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1nc(Cl)ccc1F ZINC000826417380 607965142 /nfs/dbraw/zinc/96/51/42/607965142.db2.gz PBDOVQCXCGNFFH-UHFFFAOYSA-N -2 3 391.750 0.894 20 50 GCGDHL COCc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826164961 608393953 /nfs/dbraw/zinc/39/39/53/608393953.db2.gz YURSDLBPGKDGDF-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL COCc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826164961 608393955 /nfs/dbraw/zinc/39/39/55/608393955.db2.gz YURSDLBPGKDGDF-UHFFFAOYSA-N -2 3 388.409 0.636 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445264 608527117 /nfs/dbraw/zinc/52/71/17/608527117.db2.gz MRFCECCVIJRKNO-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cncc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445264 608527118 /nfs/dbraw/zinc/52/71/18/608527118.db2.gz MRFCECCVIJRKNO-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445485 608528791 /nfs/dbraw/zinc/52/87/91/608528791.db2.gz WOVDMXDYOQERJV-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C(N[N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445485 608528793 /nfs/dbraw/zinc/52/87/93/608528793.db2.gz WOVDMXDYOQERJV-UHFFFAOYSA-N -2 3 379.789 0.538 20 50 GCGDHL O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000826445857 608572468 /nfs/dbraw/zinc/57/24/68/608572468.db2.gz NQDAAPGUHJCJRQ-UHFFFAOYSA-N -2 3 384.743 0.556 20 50 GCGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826363441 609526432 /nfs/dbraw/zinc/52/64/32/609526432.db2.gz MNWSEBPGGDMGBW-UHFFFAOYSA-N -2 3 381.805 0.482 20 50 GCGDHL