smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)N2CCOC3(C2)CCCCCC3)c([O-])c1 ZINC000159389541 228241592 /nfs/dbraw/zinc/24/15/92/228241592.db2.gz VRJXMSLJSSRYNS-UHFFFAOYSA-N -1 3 303.402 3.266 20 70 DGIDHM Cc1nc(CCNC(=O)c2ccc(C)c(C)c2[O-])sc1C ZINC000160096896 228244645 /nfs/dbraw/zinc/24/46/45/228244645.db2.gz UOZSKLDSSRLCLZ-UHFFFAOYSA-N -1 3 304.415 3.055 20 70 DGIDHM CCCc1ncc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)s1 ZINC000160191947 432709577 /nfs/dbraw/zinc/70/95/77/432709577.db2.gz GRIFRYVVGBMMDP-UHFFFAOYSA-N -1 3 317.374 3.034 20 70 DGIDHM CCCc1ncc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)s1 ZINC000160191947 432709581 /nfs/dbraw/zinc/70/95/81/432709581.db2.gz GRIFRYVVGBMMDP-UHFFFAOYSA-N -1 3 317.374 3.034 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3F)[n-]2)o1 ZINC000160183146 432710380 /nfs/dbraw/zinc/71/03/80/432710380.db2.gz ONCUEQGACUGVJM-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Cl)cc3F)n2)o1 ZINC000160183146 432710382 /nfs/dbraw/zinc/71/03/82/432710382.db2.gz ONCUEQGACUGVJM-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3F)n[n-]2)o1 ZINC000160183146 432710386 /nfs/dbraw/zinc/71/03/86/432710386.db2.gz ONCUEQGACUGVJM-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCO[C@@H](C)CC(C)C)[n-]2)o1 ZINC000160365432 432717920 /nfs/dbraw/zinc/71/79/20/432717920.db2.gz ACIBGTODHWFWKS-LBPRGKRZSA-N -1 3 320.393 3.153 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCO[C@@H](C)CC(C)C)n2)o1 ZINC000160365432 432717923 /nfs/dbraw/zinc/71/79/23/432717923.db2.gz ACIBGTODHWFWKS-LBPRGKRZSA-N -1 3 320.393 3.153 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCO[C@@H](C)CC(C)C)n[n-]2)o1 ZINC000160365432 432717924 /nfs/dbraw/zinc/71/79/24/432717924.db2.gz ACIBGTODHWFWKS-LBPRGKRZSA-N -1 3 320.393 3.153 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000160441652 432722056 /nfs/dbraw/zinc/72/20/56/432722056.db2.gz VQTFIOIGRPSWAA-UHFFFAOYSA-N -1 3 322.405 3.201 20 70 DGIDHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCc2ccccc21 ZINC000159604843 432688582 /nfs/dbraw/zinc/68/85/82/432688582.db2.gz CIFVFKFHKQJDPT-AWEZNQCLSA-N -1 3 314.360 3.061 20 70 DGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1OCC1CC1 ZINC000160881722 432747884 /nfs/dbraw/zinc/74/78/84/432747884.db2.gz WRVFGNSEGPCCRE-HNNXBMFYSA-N -1 3 306.362 3.055 20 70 DGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1OCC1CC1 ZINC000160881722 432747888 /nfs/dbraw/zinc/74/78/88/432747888.db2.gz WRVFGNSEGPCCRE-HNNXBMFYSA-N -1 3 306.362 3.055 20 70 DGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1OCC1CC1 ZINC000160881592 432748268 /nfs/dbraw/zinc/74/82/68/432748268.db2.gz WRVFGNSEGPCCRE-OAHLLOKOSA-N -1 3 306.362 3.055 20 70 DGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1OCC1CC1 ZINC000160881592 432748271 /nfs/dbraw/zinc/74/82/71/432748271.db2.gz WRVFGNSEGPCCRE-OAHLLOKOSA-N -1 3 306.362 3.055 20 70 DGIDHM COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1[O-] ZINC000161327819 432773744 /nfs/dbraw/zinc/77/37/44/432773744.db2.gz YGEBPNQUWMVAHZ-LBPRGKRZSA-N -1 3 309.406 3.354 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCO[C@H](C)CC(C)C)[n-]2)o1 ZINC000160365564 525849292 /nfs/dbraw/zinc/84/92/92/525849292.db2.gz ACIBGTODHWFWKS-GFCCVEGCSA-N -1 3 320.393 3.153 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCO[C@H](C)CC(C)C)n2)o1 ZINC000160365564 525849300 /nfs/dbraw/zinc/84/93/00/525849300.db2.gz ACIBGTODHWFWKS-GFCCVEGCSA-N -1 3 320.393 3.153 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCO[C@H](C)CC(C)C)n[n-]2)o1 ZINC000160365564 525849309 /nfs/dbraw/zinc/84/93/09/525849309.db2.gz ACIBGTODHWFWKS-GFCCVEGCSA-N -1 3 320.393 3.153 20 70 DGIDHM COc1cc(C(=O)N(CCC(C)C)C2CC2)cc(OC)c1[O-] ZINC000161384577 546068481 /nfs/dbraw/zinc/06/84/81/546068481.db2.gz KNOFMHZZLBRNKV-UHFFFAOYSA-N -1 3 307.390 3.060 20 70 DGIDHM CC(=O)N(Cc1ccc(NC(=O)[N-]OCC(C)C)cc1)C(C)C ZINC000160363121 197403808 /nfs/dbraw/zinc/40/38/08/197403808.db2.gz YWCYCXIZSIUICA-UHFFFAOYSA-N -1 3 321.421 3.153 20 70 DGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1F ZINC000159425468 197351963 /nfs/dbraw/zinc/35/19/63/197351963.db2.gz TWPLGDADRRDLIT-NSHDSACASA-N -1 3 322.258 3.424 20 70 DGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1F ZINC000159425468 197351965 /nfs/dbraw/zinc/35/19/65/197351965.db2.gz TWPLGDADRRDLIT-NSHDSACASA-N -1 3 322.258 3.424 20 70 DGIDHM COc1cc(C(=O)Nc2ccccc2Cl)cc(OC)c1[O-] ZINC000160701246 292820593 /nfs/dbraw/zinc/82/05/93/292820593.db2.gz CQUBDLVNDHGELG-UHFFFAOYSA-N -1 3 307.733 3.315 20 70 DGIDHM COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1[O-] ZINC000161257990 286200686 /nfs/dbraw/zinc/20/06/86/286200686.db2.gz NKEFJKRFWOYDHD-NSHDSACASA-N -1 3 313.353 3.001 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3F)[n-]2)o1 ZINC000160256077 432713841 /nfs/dbraw/zinc/71/38/41/432713841.db2.gz WZZDNWXGYRMPRP-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(Cl)ccc3F)n2)o1 ZINC000160256077 432713845 /nfs/dbraw/zinc/71/38/45/432713845.db2.gz WZZDNWXGYRMPRP-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(Cl)ccc3F)n[n-]2)o1 ZINC000160256077 432713847 /nfs/dbraw/zinc/71/38/47/432713847.db2.gz WZZDNWXGYRMPRP-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM O=C(NCCOC1CCCCCC1)NCc1ccc([O-])c(F)c1 ZINC000160335101 432715904 /nfs/dbraw/zinc/71/59/04/432715904.db2.gz VAGCYTNJVUJUOX-UHFFFAOYSA-N -1 3 324.396 3.070 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CSc3ccccc3)[n-]2)o1 ZINC000160432744 432720247 /nfs/dbraw/zinc/72/02/47/432720247.db2.gz NNMUNDAUPNGIFZ-UHFFFAOYSA-N -1 3 314.370 3.104 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSc3ccccc3)n2)o1 ZINC000160432744 432720252 /nfs/dbraw/zinc/72/02/52/432720252.db2.gz NNMUNDAUPNGIFZ-UHFFFAOYSA-N -1 3 314.370 3.104 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CSc3ccccc3)n[n-]2)o1 ZINC000160432744 432720258 /nfs/dbraw/zinc/72/02/58/432720258.db2.gz NNMUNDAUPNGIFZ-UHFFFAOYSA-N -1 3 314.370 3.104 20 70 DGIDHM C[C@@H](CSCc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000161204768 432766934 /nfs/dbraw/zinc/76/69/34/432766934.db2.gz WOZFZSAWGMJJBZ-ZFWWWQNUSA-N -1 3 309.431 3.130 20 70 DGIDHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000161479925 432780894 /nfs/dbraw/zinc/78/08/94/432780894.db2.gz QVGZTPLBIOEOHZ-NEPJUHHUSA-N -1 3 314.389 3.245 20 70 DGIDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000161480162 432781549 /nfs/dbraw/zinc/78/15/49/432781549.db2.gz QVGZTPLBIOEOHZ-VXGBXAGGSA-N -1 3 314.389 3.245 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3coc4ccccc34)[n-]2)o1 ZINC000160275999 432713401 /nfs/dbraw/zinc/71/34/01/432713401.db2.gz BDESDJUZKOKFAJ-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3coc4ccccc34)n2)o1 ZINC000160275999 432713406 /nfs/dbraw/zinc/71/34/06/432713406.db2.gz BDESDJUZKOKFAJ-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3coc4ccccc34)n[n-]2)o1 ZINC000160275999 432713408 /nfs/dbraw/zinc/71/34/08/432713408.db2.gz BDESDJUZKOKFAJ-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3Cl)[n-]2)o1 ZINC000160330743 432716347 /nfs/dbraw/zinc/71/63/47/432716347.db2.gz VGMZIFMUTCJXMJ-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccccc3Cl)n2)o1 ZINC000160330743 432716352 /nfs/dbraw/zinc/71/63/52/432716352.db2.gz VGMZIFMUTCJXMJ-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3Cl)n[n-]2)o1 ZINC000160330743 432716354 /nfs/dbraw/zinc/71/63/54/432716354.db2.gz VGMZIFMUTCJXMJ-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1cc(Cl)ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160806857 432741890 /nfs/dbraw/zinc/74/18/90/432741890.db2.gz OAJXAGUWACKFNO-UHFFFAOYSA-N -1 3 304.659 3.038 20 70 DGIDHM Cc1cc(Cl)ccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160806857 432741894 /nfs/dbraw/zinc/74/18/94/432741894.db2.gz OAJXAGUWACKFNO-UHFFFAOYSA-N -1 3 304.659 3.038 20 70 DGIDHM Cc1cc(C)cc(CCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000159757201 292799445 /nfs/dbraw/zinc/79/94/45/292799445.db2.gz AFAGKGOVMFVLQG-UHFFFAOYSA-N -1 3 301.361 3.397 20 70 DGIDHM CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000160283246 525905997 /nfs/dbraw/zinc/90/59/97/525905997.db2.gz KIEINXSGXRJQQO-NEPJUHHUSA-N -1 3 312.410 3.005 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3F)[n-]2)o1 ZINC000160379353 546060208 /nfs/dbraw/zinc/06/02/08/546060208.db2.gz LOUKXTOANQYZMA-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccccc3F)n2)o1 ZINC000160379353 546060212 /nfs/dbraw/zinc/06/02/12/546060212.db2.gz LOUKXTOANQYZMA-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccccc3F)n[n-]2)o1 ZINC000160379353 546060216 /nfs/dbraw/zinc/06/02/16/546060216.db2.gz LOUKXTOANQYZMA-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM COc1ccc([O-])c(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000217590737 575980576 /nfs/dbraw/zinc/98/05/76/575980576.db2.gz QPWFRSLEWLFPNO-UHFFFAOYSA-N -1 3 324.380 3.176 20 70 DGIDHM CCc1nc([C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000159671049 186134097 /nfs/dbraw/zinc/13/40/97/186134097.db2.gz ZVLJLDPQRYOUKJ-SECBINFHSA-N -1 3 323.393 3.111 20 70 DGIDHM Cc1ccc(NC([O-])=NOCC(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000159528911 197360768 /nfs/dbraw/zinc/36/07/68/197360768.db2.gz UJHCALFIRYSZLN-AWEZNQCLSA-N -1 3 322.405 3.262 20 70 DGIDHM Cc1ccc(NC(=O)[N-]OCC(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000159528911 197360770 /nfs/dbraw/zinc/36/07/70/197360770.db2.gz UJHCALFIRYSZLN-AWEZNQCLSA-N -1 3 322.405 3.262 20 70 DGIDHM COCCOc1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000159458942 197355506 /nfs/dbraw/zinc/35/55/06/197355506.db2.gz FDWKNJKOMOKWBR-UHFFFAOYSA-N -1 3 316.785 3.074 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3Cl)[n-]2)o1 ZINC000160183727 432709631 /nfs/dbraw/zinc/70/96/31/432709631.db2.gz TXPDOZBHXJLTRW-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(F)cc3Cl)n2)o1 ZINC000160183727 432709635 /nfs/dbraw/zinc/70/96/35/432709635.db2.gz TXPDOZBHXJLTRW-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(F)cc3Cl)n[n-]2)o1 ZINC000160183727 432709640 /nfs/dbraw/zinc/70/96/40/432709640.db2.gz TXPDOZBHXJLTRW-UHFFFAOYSA-N -1 3 320.711 3.418 20 70 DGIDHM Cc1ccnc(Oc2ccc(NC(=O)[N-]OCC(C)C)cc2)n1 ZINC000160893576 432748197 /nfs/dbraw/zinc/74/81/97/432748197.db2.gz XFGGWZVGCUVKAF-UHFFFAOYSA-N -1 3 316.361 3.286 20 70 DGIDHM COc1cc(C(=O)Nc2cc(C)ccc2C)cc(OC)c1[O-] ZINC000160637028 432731730 /nfs/dbraw/zinc/73/17/30/432731730.db2.gz MBTSQTACXWGBBT-UHFFFAOYSA-N -1 3 301.342 3.279 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)sc3C)[n-]2)o1 ZINC000160238319 546059327 /nfs/dbraw/zinc/05/93/27/546059327.db2.gz JETXVAGRXKDFKN-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)sc3C)n2)o1 ZINC000160238319 546059332 /nfs/dbraw/zinc/05/93/32/546059332.db2.gz JETXVAGRXKDFKN-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)sc3C)n[n-]2)o1 ZINC000160238319 546059335 /nfs/dbraw/zinc/05/93/35/546059335.db2.gz JETXVAGRXKDFKN-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(F)c(C)cc3F)[n-]2)o1 ZINC000160330320 546060110 /nfs/dbraw/zinc/06/01/10/546060110.db2.gz JZLULXAYHURIBQ-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(F)c(C)cc3F)n2)o1 ZINC000160330320 546060114 /nfs/dbraw/zinc/06/01/14/546060114.db2.gz JZLULXAYHURIBQ-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(F)c(C)cc3F)n[n-]2)o1 ZINC000160330320 546060117 /nfs/dbraw/zinc/06/01/17/546060117.db2.gz JZLULXAYHURIBQ-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM CCC(C)(CC)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000159498820 400730160 /nfs/dbraw/zinc/73/01/60/400730160.db2.gz QMWWKJOIBYVOHQ-UHFFFAOYSA-N -1 3 303.362 3.114 20 70 DGIDHM CCC(C)(CC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000159498820 400730162 /nfs/dbraw/zinc/73/01/62/400730162.db2.gz QMWWKJOIBYVOHQ-UHFFFAOYSA-N -1 3 303.362 3.114 20 70 DGIDHM COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1[O-] ZINC000160785383 292821875 /nfs/dbraw/zinc/82/18/75/292821875.db2.gz FFEVZDXVIGSRML-UHFFFAOYSA-N -1 3 301.342 3.279 20 70 DGIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccccc1C(F)(F)F ZINC000160213170 228245647 /nfs/dbraw/zinc/24/56/47/228245647.db2.gz MXTARFOLXFFWBA-UHFFFAOYSA-N -1 3 319.348 3.174 20 70 DGIDHM CC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000159498814 276552591 /nfs/dbraw/zinc/55/25/91/276552591.db2.gz WBWZBXJVDVRHFX-ABAIWWIYSA-N -1 3 316.376 3.284 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1cc(F)ccc1Br ZINC000160954640 432751375 /nfs/dbraw/zinc/75/13/75/432751375.db2.gz PUIRVPPPSFTPCL-UHFFFAOYSA-N -1 3 305.147 3.297 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651081 432734070 /nfs/dbraw/zinc/73/40/70/432734070.db2.gz OKKSAYWWIFBLEY-JTQLQIEISA-N -1 3 307.344 3.216 20 70 DGIDHM CC(C)CSCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000160839660 432743753 /nfs/dbraw/zinc/74/37/53/432743753.db2.gz MEVXAOFYJORGFD-UHFFFAOYSA-N -1 3 318.442 3.037 20 70 DGIDHM CCCn1ncc(C(=O)Nc2cccc([O-])c2F)c1C1CC1 ZINC000159516158 292794382 /nfs/dbraw/zinc/79/43/82/292794382.db2.gz FJZFOUCJTKCLES-UHFFFAOYSA-N -1 3 303.337 3.268 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3ccsc3)[n-]2)o1 ZINC000160367417 525848877 /nfs/dbraw/zinc/84/88/77/525848877.db2.gz SGCICKTUMQZGLT-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3ccsc3)n2)o1 ZINC000160367417 525848884 /nfs/dbraw/zinc/84/88/84/525848884.db2.gz SGCICKTUMQZGLT-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3ccsc3)n[n-]2)o1 ZINC000160367417 525848893 /nfs/dbraw/zinc/84/88/93/525848893.db2.gz SGCICKTUMQZGLT-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM COc1ccc([O-])c(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000216643693 546262940 /nfs/dbraw/zinc/26/29/40/546262940.db2.gz KJSXPIVZOGBALJ-CQSZACIVSA-N -1 3 315.394 3.368 20 70 DGIDHM Cc1ccc(NC([O-])=NOCC(C)C)c(OC[C@H]2CCCO2)c1 ZINC000159529042 197360895 /nfs/dbraw/zinc/36/08/95/197360895.db2.gz UJHCALFIRYSZLN-CQSZACIVSA-N -1 3 322.405 3.262 20 70 DGIDHM Cc1ccc(NC(=O)[N-]OCC(C)C)c(OC[C@H]2CCCO2)c1 ZINC000159529042 197360896 /nfs/dbraw/zinc/36/08/96/197360896.db2.gz UJHCALFIRYSZLN-CQSZACIVSA-N -1 3 322.405 3.262 20 70 DGIDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1C ZINC000159410602 197351579 /nfs/dbraw/zinc/35/15/79/197351579.db2.gz QVRRWKQFQGNPQM-AWEZNQCLSA-N -1 3 303.402 3.231 20 70 DGIDHM CCOc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160233126 432712729 /nfs/dbraw/zinc/71/27/29/432712729.db2.gz ZNZJGPDBXOSRRK-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160233126 432712731 /nfs/dbraw/zinc/71/27/31/432712731.db2.gz ZNZJGPDBXOSRRK-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM CCOc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160233126 432712733 /nfs/dbraw/zinc/71/27/33/432712733.db2.gz ZNZJGPDBXOSRRK-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM Cc1ccc([O-])c(CN(C)Cc2ccccc2Br)n1 ZINC000160379701 432718133 /nfs/dbraw/zinc/71/81/33/432718133.db2.gz UEMWRTOWNYITBK-UHFFFAOYSA-N -1 3 321.218 3.490 20 70 DGIDHM C[C@@H](CSCc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000161204592 432767410 /nfs/dbraw/zinc/76/74/10/432767410.db2.gz WOZFZSAWGMJJBZ-DZGCQCFKSA-N -1 3 309.431 3.130 20 70 DGIDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161483831 432781169 /nfs/dbraw/zinc/78/11/69/432781169.db2.gz MUFIUOATAOTUPL-CHWSQXEVSA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161483831 432781171 /nfs/dbraw/zinc/78/11/71/432781171.db2.gz MUFIUOATAOTUPL-CHWSQXEVSA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161483831 432781175 /nfs/dbraw/zinc/78/11/75/432781175.db2.gz MUFIUOATAOTUPL-CHWSQXEVSA-N -1 3 311.389 3.022 20 70 DGIDHM C/C=C(\C=C\C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O)CC ZINC000160591871 432730579 /nfs/dbraw/zinc/73/05/79/432730579.db2.gz DCPVDIRNOKIWPO-BORDEDGDSA-N -1 3 322.430 3.218 20 70 DGIDHM COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1[O-] ZINC000160697553 432735045 /nfs/dbraw/zinc/73/50/45/432735045.db2.gz IIXRVTSSJTVWBO-UHFFFAOYSA-N -1 3 301.342 3.279 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(F)c(C)c3)[n-]2)o1 ZINC000160407634 525852881 /nfs/dbraw/zinc/85/28/81/525852881.db2.gz JTECPCVOECSPCJ-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(F)c(C)c3)n2)o1 ZINC000160407634 525852888 /nfs/dbraw/zinc/85/28/88/525852888.db2.gz JTECPCVOECSPCJ-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(F)c(C)c3)n[n-]2)o1 ZINC000160407634 525852898 /nfs/dbraw/zinc/85/28/98/525852898.db2.gz JTECPCVOECSPCJ-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C)ccc2[O-])C12CCC2 ZINC000159485733 528070267 /nfs/dbraw/zinc/07/02/67/528070267.db2.gz YKWZQGRSVRKGNU-CVEARBPZSA-N -1 3 303.402 3.120 20 70 DGIDHM Cc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000160293212 228246448 /nfs/dbraw/zinc/24/64/48/228246448.db2.gz WZRBVVYJDJZWSR-AWEZNQCLSA-N -1 3 303.402 3.312 20 70 DGIDHM CCc1ccc([O-])c(C(=O)NCCc2nc(C)c(C)s2)c1 ZINC000160093382 432706695 /nfs/dbraw/zinc/70/66/95/432706695.db2.gz ATRSIRLPNOGPNZ-UHFFFAOYSA-N -1 3 304.415 3.000 20 70 DGIDHM Cc1cnn(-c2ccc(NC(=O)[N-]OCC(C)C)cc2F)c1 ZINC000160424539 432718894 /nfs/dbraw/zinc/71/88/94/432718894.db2.gz BPGBBMGPPVRHJM-UHFFFAOYSA-N -1 3 306.341 3.029 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2cc(F)ccc2F)n1 ZINC000160903676 432750012 /nfs/dbraw/zinc/75/00/12/432750012.db2.gz XFUFQQUVQFFIKY-JTQLQIEISA-N -1 3 307.344 3.216 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000160980633 432753101 /nfs/dbraw/zinc/75/31/01/432753101.db2.gz BEOMFOFFPTYSHX-QGZVFWFLSA-N -1 3 309.413 3.397 20 70 DGIDHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCc2ccccc21 ZINC000159604697 292796330 /nfs/dbraw/zinc/79/63/30/292796330.db2.gz CIFVFKFHKQJDPT-CQSZACIVSA-N -1 3 314.360 3.061 20 70 DGIDHM Cc1ccc([O-])c(C(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000160521085 292816214 /nfs/dbraw/zinc/81/62/14/292816214.db2.gz HPMSXGQIVPTLJE-UHFFFAOYSA-N -1 3 314.366 3.347 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3c[nH]c4ccccc34)[n-]2)o1 ZINC000160381631 525847797 /nfs/dbraw/zinc/84/77/97/525847797.db2.gz FBHDAIVYJKPMDR-UHFFFAOYSA-N -1 3 321.340 3.036 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c[nH]c4ccccc34)n2)o1 ZINC000160381631 525847805 /nfs/dbraw/zinc/84/78/05/525847805.db2.gz FBHDAIVYJKPMDR-UHFFFAOYSA-N -1 3 321.340 3.036 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)Cc3c[nH]c4ccccc34)n[n-]2)o1 ZINC000160381631 525847814 /nfs/dbraw/zinc/84/78/14/525847814.db2.gz FBHDAIVYJKPMDR-UHFFFAOYSA-N -1 3 321.340 3.036 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CSCCC(C)C)[n-]2)o1 ZINC000160392357 525848051 /nfs/dbraw/zinc/84/80/51/525848051.db2.gz MXCWLGFIQPRKJE-UHFFFAOYSA-N -1 3 308.407 3.091 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSCCC(C)C)n2)o1 ZINC000160392357 525848059 /nfs/dbraw/zinc/84/80/59/525848059.db2.gz MXCWLGFIQPRKJE-UHFFFAOYSA-N -1 3 308.407 3.091 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CSCCC(C)C)n[n-]2)o1 ZINC000160392357 525848065 /nfs/dbraw/zinc/84/80/65/525848065.db2.gz MXCWLGFIQPRKJE-UHFFFAOYSA-N -1 3 308.407 3.091 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3csc(C(C)C)n3)[n-]2)o1 ZINC000160212038 197393038 /nfs/dbraw/zinc/39/30/38/197393038.db2.gz KDOACQAXWBWWBF-UHFFFAOYSA-N -1 3 317.374 3.205 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3csc(C(C)C)n3)n2)o1 ZINC000160212038 197393040 /nfs/dbraw/zinc/39/30/40/197393040.db2.gz KDOACQAXWBWWBF-UHFFFAOYSA-N -1 3 317.374 3.205 20 70 DGIDHM CC[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000159499229 197358931 /nfs/dbraw/zinc/35/89/31/197358931.db2.gz WBWZBXJVDVRHFX-XHDPSFHLSA-N -1 3 316.376 3.284 20 70 DGIDHM CCCn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C1CC1 ZINC000159372669 197349138 /nfs/dbraw/zinc/34/91/38/197349138.db2.gz ACMNNWAGYLAHOG-UHFFFAOYSA-N -1 3 303.337 3.268 20 70 DGIDHM COc1cc(C(=O)N2CCCc3ccccc32)cc(OC)c1[O-] ZINC000160640492 292819088 /nfs/dbraw/zinc/81/90/88/292819088.db2.gz ADARRFILLVNIAN-UHFFFAOYSA-N -1 3 313.353 3.002 20 70 DGIDHM COc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])on1 ZINC000159425661 533556675 /nfs/dbraw/zinc/55/66/75/533556675.db2.gz KALMSQRTHQTDDH-UHFFFAOYSA-N -1 3 324.336 3.232 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccc(F)c3)[n-]2)o1 ZINC000160210813 432711548 /nfs/dbraw/zinc/71/15/48/432711548.db2.gz VJCVVSISOKKUOP-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccc(F)c3)n2)o1 ZINC000160210813 432711550 /nfs/dbraw/zinc/71/15/50/432711550.db2.gz VJCVVSISOKKUOP-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc(F)c3)n[n-]2)o1 ZINC000160210813 432711554 /nfs/dbraw/zinc/71/15/54/432711554.db2.gz VJCVVSISOKKUOP-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000160903840 432750328 /nfs/dbraw/zinc/75/03/28/432750328.db2.gz XFUFQQUVQFFIKY-SNVBAGLBSA-N -1 3 307.344 3.216 20 70 DGIDHM C[C@H](CSCc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000161503152 432783524 /nfs/dbraw/zinc/78/35/24/432783524.db2.gz ASPUEWIAOLLDEV-GFCCVEGCSA-N -1 3 302.399 3.295 20 70 DGIDHM COc1cc(C(=O)NCCCC2CCCC2)cc(OC)c1[O-] ZINC000161360069 432775112 /nfs/dbraw/zinc/77/51/12/432775112.db2.gz CXIFTCOUXNIGNY-UHFFFAOYSA-N -1 3 307.390 3.110 20 70 DGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000160841205 432746081 /nfs/dbraw/zinc/74/60/81/432746081.db2.gz DZEUWBJPZOZCLG-UHFFFAOYSA-N -1 3 319.279 3.352 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cncc4ccccc43)[n-]2)o1 ZINC000160354163 525851401 /nfs/dbraw/zinc/85/14/01/525851401.db2.gz OXVYFRYJHXCYDX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cncc4ccccc43)n2)o1 ZINC000160354163 525851407 /nfs/dbraw/zinc/85/14/07/525851407.db2.gz OXVYFRYJHXCYDX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cncc4ccccc43)n[n-]2)o1 ZINC000160354163 525851417 /nfs/dbraw/zinc/85/14/17/525851417.db2.gz OXVYFRYJHXCYDX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)cc2[O-])C12CCC2 ZINC000159482820 528129074 /nfs/dbraw/zinc/12/90/74/528129074.db2.gz KASYMCIQCNKCFG-HOTGVXAUSA-N -1 3 303.402 3.120 20 70 DGIDHM Cc1cc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1F ZINC000161021382 546065178 /nfs/dbraw/zinc/06/51/78/546065178.db2.gz KZPMCMMPVAJXAS-UHFFFAOYSA-N -1 3 323.246 3.396 20 70 DGIDHM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ncccc1[O-] ZINC000216635104 165377051 /nfs/dbraw/zinc/37/70/51/165377051.db2.gz ORICJJUPLBWZAA-UHFFFAOYSA-N -1 3 308.337 3.203 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)c(C)s3)[n-]2)o1 ZINC000160433376 432721384 /nfs/dbraw/zinc/72/13/84/432721384.db2.gz YWSJUPPQZZJTQW-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)c(C)s3)n2)o1 ZINC000160433376 432721387 /nfs/dbraw/zinc/72/13/87/432721387.db2.gz YWSJUPPQZZJTQW-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)c(C)s3)n[n-]2)o1 ZINC000160433376 432721390 /nfs/dbraw/zinc/72/13/90/432721390.db2.gz YWSJUPPQZZJTQW-UHFFFAOYSA-N -1 3 302.359 3.304 20 70 DGIDHM C[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)C1CCCCC1 ZINC000160901769 432750030 /nfs/dbraw/zinc/75/00/30/432750030.db2.gz MGFTXSUMUMIIOR-LBPRGKRZSA-N -1 3 313.405 3.412 20 70 DGIDHM C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)C1CCCCC1 ZINC000160901769 432750032 /nfs/dbraw/zinc/75/00/32/432750032.db2.gz MGFTXSUMUMIIOR-LBPRGKRZSA-N -1 3 313.405 3.412 20 70 DGIDHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)C1CCCCC1 ZINC000160901769 432750035 /nfs/dbraw/zinc/75/00/35/432750035.db2.gz MGFTXSUMUMIIOR-LBPRGKRZSA-N -1 3 313.405 3.412 20 70 DGIDHM COc1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1[O-] ZINC000161257857 432769911 /nfs/dbraw/zinc/76/99/11/432769911.db2.gz NKEFJKRFWOYDHD-LLVKDONJSA-N -1 3 313.353 3.001 20 70 DGIDHM CCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161259148 432770231 /nfs/dbraw/zinc/77/02/31/432770231.db2.gz RUZVXHISJIUMFZ-UHFFFAOYSA-N -1 3 315.369 3.072 20 70 DGIDHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)[N-]OCc1cccnc1 ZINC000160738432 432738863 /nfs/dbraw/zinc/73/88/63/432738863.db2.gz JAHGKTWKVRTEHT-VMPITWQZSA-N -1 3 322.286 3.362 20 70 DGIDHM CC[C@@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000160787255 432740537 /nfs/dbraw/zinc/74/05/37/432740537.db2.gz CVBZTLBMLDCIMI-GFCCVEGCSA-N -1 3 307.390 3.062 20 70 DGIDHM COc1ccc([O-])c(C(=O)N(C)c2ccc(OC)c(Cl)c2)c1 ZINC000160159446 292808875 /nfs/dbraw/zinc/80/88/75/292808875.db2.gz DDANHCSDYULCQY-UHFFFAOYSA-N -1 3 321.760 3.339 20 70 DGIDHM Cc1nnc(-c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2)o1 ZINC000160507591 292815621 /nfs/dbraw/zinc/81/56/21/292815621.db2.gz CYJPBZDRADTVDM-UHFFFAOYSA-N -1 3 309.325 3.311 20 70 DGIDHM COc1cc(C(=O)Nc2ccc(C)cc2F)cc(OC)c1[O-] ZINC000161122465 292828858 /nfs/dbraw/zinc/82/88/58/292828858.db2.gz UAPIMQNXPQPJKA-UHFFFAOYSA-N -1 3 305.305 3.109 20 70 DGIDHM O=C(NCc1csc(-c2ccco2)n1)c1ccccc1[O-] ZINC000160516342 534699089 /nfs/dbraw/zinc/69/90/89/534699089.db2.gz MZKNVAFLFNWHFU-UHFFFAOYSA-N -1 3 300.339 3.039 20 70 DGIDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCCCO1 ZINC000159897766 197371762 /nfs/dbraw/zinc/37/17/62/197371762.db2.gz LHSLTXHZRWPTDC-SFHVURJKSA-N -1 3 311.381 3.491 20 70 DGIDHM COc1ccc(Br)c(NC(=O)[N-]OCC(C)C)c1 ZINC000159771548 197363838 /nfs/dbraw/zinc/36/38/38/197363838.db2.gz GYBWDWGPQFGVQA-UHFFFAOYSA-N -1 3 317.183 3.167 20 70 DGIDHM CC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000159498957 197358421 /nfs/dbraw/zinc/35/84/21/197358421.db2.gz WBWZBXJVDVRHFX-NHYWBVRUSA-N -1 3 316.376 3.284 20 70 DGIDHM CCOC(=O)c1ccc(NC(=O)c2cccn2C(C)C)c([O-])c1 ZINC000160179290 432710747 /nfs/dbraw/zinc/71/07/47/432710747.db2.gz SSCFHQITPZALQN-UHFFFAOYSA-N -1 3 316.357 3.204 20 70 DGIDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C12CCC2 ZINC000159483120 432684838 /nfs/dbraw/zinc/68/48/38/432684838.db2.gz KASYMCIQCNKCFG-CVEARBPZSA-N -1 3 303.402 3.120 20 70 DGIDHM Cc1ccc(NC(=O)c2ccncc2Br)c([O-])c1 ZINC000159568767 432686347 /nfs/dbraw/zinc/68/63/47/432686347.db2.gz WINWRXVWIIVCJU-UHFFFAOYSA-N -1 3 307.147 3.110 20 70 DGIDHM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1[O-] ZINC000161141664 432762195 /nfs/dbraw/zinc/76/21/95/432762195.db2.gz ZBLVOLRYSWDAMJ-GFCCVEGCSA-N -1 3 315.369 3.243 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000160597755 432730497 /nfs/dbraw/zinc/73/04/97/432730497.db2.gz COJZZZCSKFVEEV-UHFFFAOYSA-N -1 3 313.376 3.173 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000160655920 432733551 /nfs/dbraw/zinc/73/35/51/432733551.db2.gz RCKUBBJCZHWUMR-HNNXBMFYSA-N -1 3 301.365 3.221 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651226 432734220 /nfs/dbraw/zinc/73/42/20/432734220.db2.gz OKKSAYWWIFBLEY-SNVBAGLBSA-N -1 3 307.344 3.216 20 70 DGIDHM COc1cc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)ccc1F ZINC000160733551 432738605 /nfs/dbraw/zinc/73/86/05/432738605.db2.gz RKVFTZARRQGDKP-QPJJXVBHSA-N -1 3 319.307 3.009 20 70 DGIDHM COc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000161076647 292827313 /nfs/dbraw/zinc/82/73/13/292827313.db2.gz MFGRHTOUBVZUQY-UHFFFAOYSA-N -1 3 311.790 3.458 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCCc3ccccc3)[n-]2)o1 ZINC000160414239 525849858 /nfs/dbraw/zinc/84/98/58/525849858.db2.gz WMFKCSLYADREDZ-UHFFFAOYSA-N -1 3 310.357 3.335 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCc3ccccc3)n2)o1 ZINC000160414239 525849866 /nfs/dbraw/zinc/84/98/66/525849866.db2.gz WMFKCSLYADREDZ-UHFFFAOYSA-N -1 3 310.357 3.335 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCCc3ccccc3)n[n-]2)o1 ZINC000160414239 525849880 /nfs/dbraw/zinc/84/98/80/525849880.db2.gz WMFKCSLYADREDZ-UHFFFAOYSA-N -1 3 310.357 3.335 20 70 DGIDHM O=C(CCC1CCCC1)CSc1n[n-]c(-c2ccccn2)n1 ZINC000160418548 526400457 /nfs/dbraw/zinc/40/04/57/526400457.db2.gz FGNGLIWGNALFCU-UHFFFAOYSA-N -1 3 316.430 3.498 20 70 DGIDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C)ccc2[O-])C12CCC2 ZINC000159485596 527798138 /nfs/dbraw/zinc/79/81/38/527798138.db2.gz YKWZQGRSVRKGNU-HZPDHXFCSA-N -1 3 303.402 3.120 20 70 DGIDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000159626115 529691881 /nfs/dbraw/zinc/69/18/81/529691881.db2.gz UMNQNQJUQLPWSK-CQSZACIVSA-N -1 3 303.402 3.176 20 70 DGIDHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C1CCCC1 ZINC000159569140 186127680 /nfs/dbraw/zinc/12/76/80/186127680.db2.gz XATQRHCGKZOPQV-UHFFFAOYSA-N -1 3 316.376 3.380 20 70 DGIDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCCCO1 ZINC000159897891 197371700 /nfs/dbraw/zinc/37/17/00/197371700.db2.gz LHSLTXHZRWPTDC-GOSISDBHSA-N -1 3 311.381 3.491 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3C)[n-]2)o1 ZINC000159367508 228242070 /nfs/dbraw/zinc/24/20/70/228242070.db2.gz GXGAJYPXTHBMEH-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(F)cc3C)n2)o1 ZINC000159367508 228242073 /nfs/dbraw/zinc/24/20/73/228242073.db2.gz GXGAJYPXTHBMEH-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(F)cc3C)n[n-]2)o1 ZINC000159367508 228242077 /nfs/dbraw/zinc/24/20/77/228242077.db2.gz GXGAJYPXTHBMEH-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM O=C(Nc1ncccc1[O-])C1(c2cccc(F)c2)CCCC1 ZINC000218394403 432658182 /nfs/dbraw/zinc/65/81/82/432658182.db2.gz JRUHTCXCOTWADK-UHFFFAOYSA-N -1 3 300.333 3.377 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3ccccc3F)[n-]2)o1 ZINC000160232556 432712585 /nfs/dbraw/zinc/71/25/85/432712585.db2.gz DEVYMIAGRIMULX-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3ccccc3F)n2)o1 ZINC000160232556 432712586 /nfs/dbraw/zinc/71/25/86/432712586.db2.gz DEVYMIAGRIMULX-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3ccccc3F)n[n-]2)o1 ZINC000160232556 432712589 /nfs/dbraw/zinc/71/25/89/432712589.db2.gz DEVYMIAGRIMULX-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc4[nH]ccc43)[n-]2)o1 ZINC000160235591 432712717 /nfs/dbraw/zinc/71/27/17/432712717.db2.gz BOLAMUUZCMHJHJ-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc4[nH]ccc43)n2)o1 ZINC000160235591 432712718 /nfs/dbraw/zinc/71/27/18/432712718.db2.gz BOLAMUUZCMHJHJ-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc4[nH]ccc43)n[n-]2)o1 ZINC000160235591 432712721 /nfs/dbraw/zinc/71/27/21/432712721.db2.gz BOLAMUUZCMHJHJ-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM COc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1[O-] ZINC000160896128 432748136 /nfs/dbraw/zinc/74/81/36/432748136.db2.gz DJWXZFWPRPYHQS-UHFFFAOYSA-N -1 3 313.353 3.150 20 70 DGIDHM COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(OC)c1[O-] ZINC000161327691 432773534 /nfs/dbraw/zinc/77/35/34/432773534.db2.gz YGEBPNQUWMVAHZ-GFCCVEGCSA-N -1 3 309.406 3.354 20 70 DGIDHM CCCC1(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000161346436 432775366 /nfs/dbraw/zinc/77/53/66/432775366.db2.gz NEOIJGIUIGWWTC-UHFFFAOYSA-N -1 3 316.376 3.286 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000160546102 432726824 /nfs/dbraw/zinc/72/68/24/432726824.db2.gz UTHGMVQIVNXSFX-INIZCTEOSA-N -1 3 313.401 3.090 20 70 DGIDHM O=C(CC1CCSCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000160620983 432731664 /nfs/dbraw/zinc/73/16/64/432731664.db2.gz FJEFZOUCULQYJK-UHFFFAOYSA-N -1 3 320.393 3.083 20 70 DGIDHM CSc1nsc([N-]C(=O)c2cccc(Cl)c2F)n1 ZINC000159605506 526234374 /nfs/dbraw/zinc/23/43/74/526234374.db2.gz YMDDIDYWMKYYFQ-UHFFFAOYSA-N -1 3 303.771 3.305 20 70 DGIDHM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccccc1[O-] ZINC000159472805 530020896 /nfs/dbraw/zinc/02/08/96/530020896.db2.gz BWAAYZZBXNZXAE-UHFFFAOYSA-N -1 3 307.353 3.055 20 70 DGIDHM O=C(Nc1ncccc1[O-])C1(c2ccc(F)cc2)CCCC1 ZINC000218560024 165378234 /nfs/dbraw/zinc/37/82/34/165378234.db2.gz KHRNMCXGZHCDLY-UHFFFAOYSA-N -1 3 300.333 3.377 20 70 DGIDHM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000217205807 432654196 /nfs/dbraw/zinc/65/41/96/432654196.db2.gz PLGNTEFRCHEXJM-OAHLLOKOSA-N -1 3 310.397 3.099 20 70 DGIDHM Cc1cccc(C(=O)NCc2ccc(OC(F)F)cc2)c1[O-] ZINC000217156955 432654581 /nfs/dbraw/zinc/65/45/81/432654581.db2.gz CCZWMMCIMBKEAK-UHFFFAOYSA-N -1 3 307.296 3.232 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3ccccc3F)[n-]2)o1 ZINC000160232428 432712269 /nfs/dbraw/zinc/71/22/69/432712269.db2.gz DEVYMIAGRIMULX-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3ccccc3F)n2)o1 ZINC000160232428 432712273 /nfs/dbraw/zinc/71/22/73/432712273.db2.gz DEVYMIAGRIMULX-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3ccccc3F)n[n-]2)o1 ZINC000160232428 432712277 /nfs/dbraw/zinc/71/22/77/432712277.db2.gz DEVYMIAGRIMULX-JTQLQIEISA-N -1 3 314.320 3.254 20 70 DGIDHM COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1[O-] ZINC000161034183 432755806 /nfs/dbraw/zinc/75/58/06/432755806.db2.gz DXJOYDAGFLONJY-UHFFFAOYSA-N -1 3 305.374 3.030 20 70 DGIDHM Cc1ccc([O-])c(C(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000159390484 292791883 /nfs/dbraw/zinc/79/18/83/292791883.db2.gz BOSXUJNSYFJAGF-UHFFFAOYSA-N -1 3 303.402 3.266 20 70 DGIDHM COc1cc(C(=O)Nc2cc(F)ccc2C)cc(OC)c1[O-] ZINC000160791433 292822111 /nfs/dbraw/zinc/82/21/11/292822111.db2.gz QQRHXOQIUAQDQT-UHFFFAOYSA-N -1 3 305.305 3.109 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)[n-]2)o1 ZINC000160294986 525851467 /nfs/dbraw/zinc/85/14/67/525851467.db2.gz XCEJNEXJPSLUNS-UONOGXRCSA-N -1 3 322.368 3.424 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)n2)o1 ZINC000160294986 525851480 /nfs/dbraw/zinc/85/14/80/525851480.db2.gz XCEJNEXJPSLUNS-UONOGXRCSA-N -1 3 322.368 3.424 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)n[n-]2)o1 ZINC000160294986 525851488 /nfs/dbraw/zinc/85/14/88/525851488.db2.gz XCEJNEXJPSLUNS-UONOGXRCSA-N -1 3 322.368 3.424 20 70 DGIDHM CCC(=O)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000160720919 528478039 /nfs/dbraw/zinc/47/80/39/528478039.db2.gz VCICKTSEBHQIJY-UHFFFAOYSA-N -1 3 320.348 3.373 20 70 DGIDHM CCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000160720919 528478042 /nfs/dbraw/zinc/47/80/42/528478042.db2.gz VCICKTSEBHQIJY-UHFFFAOYSA-N -1 3 320.348 3.373 20 70 DGIDHM CCc1cccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000160855955 529542264 /nfs/dbraw/zinc/54/22/64/529542264.db2.gz NUWFETJOAFMJLR-UHFFFAOYSA-N -1 3 301.342 3.224 20 70 DGIDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000159670270 186134066 /nfs/dbraw/zinc/13/40/66/186134066.db2.gz WLWFPTCJTHFUTR-VIFPVBQESA-N -1 3 301.458 3.028 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000159717860 197361399 /nfs/dbraw/zinc/36/13/99/197361399.db2.gz JVIGCRFPNMGVSB-OKILXGFUSA-N -1 3 321.421 3.009 20 70 DGIDHM Cc1ccc(C(=O)NCc2csc(-c3ccco3)n2)c([O-])c1 ZINC000160521481 228246842 /nfs/dbraw/zinc/24/68/42/228246842.db2.gz FLNFBGOPAUGKPC-UHFFFAOYSA-N -1 3 314.366 3.347 20 70 DGIDHM CCCCS[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160267048 432714158 /nfs/dbraw/zinc/71/41/58/432714158.db2.gz MVFNYIUZHGCVCH-JTQLQIEISA-N -1 3 308.407 3.233 20 70 DGIDHM CCCCS[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160267048 432714162 /nfs/dbraw/zinc/71/41/62/432714162.db2.gz MVFNYIUZHGCVCH-JTQLQIEISA-N -1 3 308.407 3.233 20 70 DGIDHM CCCCS[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160267048 432714164 /nfs/dbraw/zinc/71/41/64/432714164.db2.gz MVFNYIUZHGCVCH-JTQLQIEISA-N -1 3 308.407 3.233 20 70 DGIDHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OC(F)F ZINC000160376534 432717152 /nfs/dbraw/zinc/71/71/52/432717152.db2.gz HIWMRCXFGSLZAY-GFCCVEGCSA-N -1 3 316.304 3.176 20 70 DGIDHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OC(F)F ZINC000160376534 432717158 /nfs/dbraw/zinc/71/71/58/432717158.db2.gz HIWMRCXFGSLZAY-GFCCVEGCSA-N -1 3 316.304 3.176 20 70 DGIDHM Cc1cc(NC(=O)[N-]OCC(C)C)ccc1OC1CCOCC1 ZINC000160464623 432722539 /nfs/dbraw/zinc/72/25/39/432722539.db2.gz HEWALPSBZJJCTK-UHFFFAOYSA-N -1 3 322.405 3.262 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000160886450 432747938 /nfs/dbraw/zinc/74/79/38/432747938.db2.gz LYRIXOXDXGALGV-UHFFFAOYSA-N -1 3 317.393 3.235 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000160904123 432749871 /nfs/dbraw/zinc/74/98/71/432749871.db2.gz IGFJYWYYKXMCER-UHFFFAOYSA-N -1 3 319.355 3.187 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(CC)Cc2ccc(Cl)s2)n1 ZINC000160551073 432727023 /nfs/dbraw/zinc/72/70/23/432727023.db2.gz IPEHYKTZXBFTSY-UHFFFAOYSA-N -1 3 311.838 3.482 20 70 DGIDHM CSc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160364118 525972855 /nfs/dbraw/zinc/97/28/55/525972855.db2.gz XMKZTVKXURRGAU-UHFFFAOYSA-N -1 3 314.370 3.347 20 70 DGIDHM CSc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160364118 525972864 /nfs/dbraw/zinc/97/28/64/525972864.db2.gz XMKZTVKXURRGAU-UHFFFAOYSA-N -1 3 314.370 3.347 20 70 DGIDHM CSc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160364118 525972877 /nfs/dbraw/zinc/97/28/77/525972877.db2.gz XMKZTVKXURRGAU-UHFFFAOYSA-N -1 3 314.370 3.347 20 70 DGIDHM CC(=O)c1ccc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc1 ZINC000159771922 527318457 /nfs/dbraw/zinc/31/84/57/527318457.db2.gz DRFMYJSBHNKCLK-ZDUSSCGKSA-N -1 3 317.410 3.435 20 70 DGIDHM Cc1ccc2cccc(NC([O-])=NO[C@H]3CCCCO3)c2n1 ZINC000159775278 197363687 /nfs/dbraw/zinc/36/36/87/197363687.db2.gz CDMGFGGJIRSOKP-AWEZNQCLSA-N -1 3 301.346 3.123 20 70 DGIDHM Cc1ccc2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2n1 ZINC000159775278 197363688 /nfs/dbraw/zinc/36/36/88/197363688.db2.gz CDMGFGGJIRSOKP-AWEZNQCLSA-N -1 3 301.346 3.123 20 70 DGIDHM CC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000159499105 197358951 /nfs/dbraw/zinc/35/89/51/197358951.db2.gz WBWZBXJVDVRHFX-IAQYHMDHSA-N -1 3 316.376 3.284 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3C)[n-]2)o1 ZINC000160173626 432710870 /nfs/dbraw/zinc/71/08/70/432710870.db2.gz QJPWHCHYKPGFBH-UHFFFAOYSA-N -1 3 310.357 3.253 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccccc3C)n2)o1 ZINC000160173626 432710873 /nfs/dbraw/zinc/71/08/73/432710873.db2.gz QJPWHCHYKPGFBH-UHFFFAOYSA-N -1 3 310.357 3.253 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccccc3C)n[n-]2)o1 ZINC000160173626 432710874 /nfs/dbraw/zinc/71/08/74/432710874.db2.gz QJPWHCHYKPGFBH-UHFFFAOYSA-N -1 3 310.357 3.253 20 70 DGIDHM CC(=O)N1CCCc2cc(NC(=O)c3cc(C)ccc3[O-])ccc21 ZINC000160305895 432713892 /nfs/dbraw/zinc/71/38/92/432713892.db2.gz REVMYDAYAORMCY-UHFFFAOYSA-N -1 3 324.380 3.252 20 70 DGIDHM COc1cc(C(=O)Nc2cc(C)ccc2F)cc(OC)c1[O-] ZINC000161123149 432761463 /nfs/dbraw/zinc/76/14/63/432761463.db2.gz ZSIUZCPLCPNNRU-UHFFFAOYSA-N -1 3 305.305 3.109 20 70 DGIDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1 ZINC000161167848 432762480 /nfs/dbraw/zinc/76/24/80/432762480.db2.gz XLOBAENABMXGAW-UHFFFAOYSA-N -1 3 310.353 3.422 20 70 DGIDHM CC(=O)N1CCCc2cc(NC(=O)c3cccc(C)c3[O-])ccc21 ZINC000160307421 526599563 /nfs/dbraw/zinc/59/95/63/526599563.db2.gz RPZYESCXCRHSGF-UHFFFAOYSA-N -1 3 324.380 3.252 20 70 DGIDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C12CCC2 ZINC000159482976 527798206 /nfs/dbraw/zinc/79/82/06/527798206.db2.gz KASYMCIQCNKCFG-HZPDHXFCSA-N -1 3 303.402 3.120 20 70 DGIDHM CCc1ccccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161279682 529600357 /nfs/dbraw/zinc/60/03/57/529600357.db2.gz QTOVNVLFQBDHPF-UHFFFAOYSA-N -1 3 301.342 3.224 20 70 DGIDHM CCc1nc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cs1 ZINC000159671187 186133892 /nfs/dbraw/zinc/13/38/92/186133892.db2.gz ZVLJLDPQRYOUKJ-VIFPVBQESA-N -1 3 323.393 3.111 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159718128 186137144 /nfs/dbraw/zinc/13/71/44/186137144.db2.gz JVIGCRFPNMGVSB-ZIAGYGMSSA-N -1 3 321.421 3.009 20 70 DGIDHM C[C@@H](O)CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000159909755 197372740 /nfs/dbraw/zinc/37/27/40/197372740.db2.gz MXSMMJIGAGDHPD-CYBMUJFWSA-N -1 3 315.369 3.027 20 70 DGIDHM CCCCCc1nnc(NC(=O)c2cc(OC)ccc2[O-])s1 ZINC000218334546 263836280 /nfs/dbraw/zinc/83/62/80/263836280.db2.gz DMYXJNCHZDAOHN-UHFFFAOYSA-N -1 3 321.402 3.237 20 70 DGIDHM CCc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000159860239 432698762 /nfs/dbraw/zinc/69/87/62/432698762.db2.gz YYQSBEAYDGZCLJ-AWEZNQCLSA-N -1 3 303.402 3.176 20 70 DGIDHM CCc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000159860099 432699561 /nfs/dbraw/zinc/69/95/61/432699561.db2.gz YYQSBEAYDGZCLJ-CQSZACIVSA-N -1 3 303.402 3.176 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)cc3)[n-]2)o1 ZINC000160270702 432714484 /nfs/dbraw/zinc/71/44/84/432714484.db2.gz VTNGWNSHANVTKA-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(Cl)cc3)n2)o1 ZINC000160270702 432714487 /nfs/dbraw/zinc/71/44/87/432714487.db2.gz VTNGWNSHANVTKA-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Cl)cc3)n[n-]2)o1 ZINC000160270702 432714492 /nfs/dbraw/zinc/71/44/92/432714492.db2.gz VTNGWNSHANVTKA-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCCc3cccs3)[n-]2)o1 ZINC000160348636 432716056 /nfs/dbraw/zinc/71/60/56/432716056.db2.gz GMWXLROSDNFIDQ-UHFFFAOYSA-N -1 3 316.386 3.396 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCc3cccs3)n2)o1 ZINC000160348636 432716060 /nfs/dbraw/zinc/71/60/60/432716060.db2.gz GMWXLROSDNFIDQ-UHFFFAOYSA-N -1 3 316.386 3.396 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCCc3cccs3)n[n-]2)o1 ZINC000160348636 432716064 /nfs/dbraw/zinc/71/60/64/432716064.db2.gz GMWXLROSDNFIDQ-UHFFFAOYSA-N -1 3 316.386 3.396 20 70 DGIDHM CC(C)(C)Oc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000160402281 432718989 /nfs/dbraw/zinc/71/89/89/432718989.db2.gz KOBZMBRTKPYMOQ-AWEZNQCLSA-N -1 3 308.378 3.444 20 70 DGIDHM CC(C)(C)Oc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000160402281 432718995 /nfs/dbraw/zinc/71/89/95/432718995.db2.gz KOBZMBRTKPYMOQ-AWEZNQCLSA-N -1 3 308.378 3.444 20 70 DGIDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[O-])C12CCC2 ZINC000159483624 432685418 /nfs/dbraw/zinc/68/54/18/432685418.db2.gz QPNMSLVFBXIUKF-CABCVRRESA-N -1 3 303.402 3.120 20 70 DGIDHM CCc1ccc([O-])c(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000160920832 432749584 /nfs/dbraw/zinc/74/95/84/432749584.db2.gz XCHIACOKQBJKFZ-UHFFFAOYSA-N -1 3 305.418 3.374 20 70 DGIDHM COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(OC)c1[O-] ZINC000161133518 432762032 /nfs/dbraw/zinc/76/20/32/432762032.db2.gz QAZRKLSGYPHZIM-OCCSQVGLSA-N -1 3 319.401 3.204 20 70 DGIDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161484195 432781067 /nfs/dbraw/zinc/78/10/67/432781067.db2.gz MUFIUOATAOTUPL-STQMWFEESA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161484195 432781069 /nfs/dbraw/zinc/78/10/69/432781069.db2.gz MUFIUOATAOTUPL-STQMWFEESA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161484195 432781074 /nfs/dbraw/zinc/78/10/74/432781074.db2.gz MUFIUOATAOTUPL-STQMWFEESA-N -1 3 311.389 3.022 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCc3sccc3[C@@H]2CC)n1 ZINC000160832557 432744692 /nfs/dbraw/zinc/74/46/92/432744692.db2.gz VHRSYEAGOKHXSI-ZDUSSCGKSA-N -1 3 303.431 3.316 20 70 DGIDHM COc1cc(C(=O)NCCCC2CCCCC2)cc(OC)c1[O-] ZINC000160012535 292805005 /nfs/dbraw/zinc/80/50/05/292805005.db2.gz XTAGHWQEXHIZIZ-UHFFFAOYSA-N -1 3 321.417 3.500 20 70 DGIDHM Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000160755112 534618633 /nfs/dbraw/zinc/61/86/33/534618633.db2.gz HIGRZJHDWKPZIO-CQSZACIVSA-N -1 3 303.402 3.312 20 70 DGIDHM CCCC[C@@H](CC)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161366979 528780715 /nfs/dbraw/zinc/78/07/15/528780715.db2.gz WSTXSEWDVCWLSB-GFCCVEGCSA-N -1 3 309.406 3.356 20 70 DGIDHM Cc1ccc2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2n1 ZINC000159775146 197363116 /nfs/dbraw/zinc/36/31/16/197363116.db2.gz CDMGFGGJIRSOKP-CQSZACIVSA-N -1 3 301.346 3.123 20 70 DGIDHM Cc1ccc2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2n1 ZINC000159775146 197363118 /nfs/dbraw/zinc/36/31/18/197363118.db2.gz CDMGFGGJIRSOKP-CQSZACIVSA-N -1 3 301.346 3.123 20 70 DGIDHM Cc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1C ZINC000160778202 228248838 /nfs/dbraw/zinc/24/88/38/228248838.db2.gz MRLXVWSVARZWIW-UHFFFAOYSA-N -1 3 305.418 3.429 20 70 DGIDHM CCc1ccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160245648 432711599 /nfs/dbraw/zinc/71/15/99/432711599.db2.gz LJUUWVICBBACRX-UHFFFAOYSA-N -1 3 310.357 3.117 20 70 DGIDHM CCc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160245648 432711605 /nfs/dbraw/zinc/71/16/05/432711605.db2.gz LJUUWVICBBACRX-UHFFFAOYSA-N -1 3 310.357 3.117 20 70 DGIDHM CCc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160245648 432711608 /nfs/dbraw/zinc/71/16/08/432711608.db2.gz LJUUWVICBBACRX-UHFFFAOYSA-N -1 3 310.357 3.117 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3cccc(F)c3)[n-]2)o1 ZINC000160210939 432712706 /nfs/dbraw/zinc/71/27/06/432712706.db2.gz VJCVVSISOKKUOP-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3cccc(F)c3)n2)o1 ZINC000160210939 432712708 /nfs/dbraw/zinc/71/27/08/432712708.db2.gz VJCVVSISOKKUOP-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3cccc(F)c3)n[n-]2)o1 ZINC000160210939 432712710 /nfs/dbraw/zinc/71/27/10/432712710.db2.gz VJCVVSISOKKUOP-SNVBAGLBSA-N -1 3 314.320 3.254 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)ccc3F)[n-]2)o1 ZINC000160297789 432713429 /nfs/dbraw/zinc/71/34/29/432713429.db2.gz NHLQXVSIIJQGTB-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)ccc3F)n2)o1 ZINC000160297789 432713434 /nfs/dbraw/zinc/71/34/34/432713434.db2.gz NHLQXVSIIJQGTB-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)ccc3F)n[n-]2)o1 ZINC000160297789 432713436 /nfs/dbraw/zinc/71/34/36/432713436.db2.gz NHLQXVSIIJQGTB-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM CC(C)(C)Oc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000160402145 432719669 /nfs/dbraw/zinc/71/96/69/432719669.db2.gz KOBZMBRTKPYMOQ-CQSZACIVSA-N -1 3 308.378 3.444 20 70 DGIDHM CC(C)(C)Oc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000160402145 432719673 /nfs/dbraw/zinc/71/96/73/432719673.db2.gz KOBZMBRTKPYMOQ-CQSZACIVSA-N -1 3 308.378 3.444 20 70 DGIDHM CN(C(=O)c1c[n-]nc1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000160463677 432723738 /nfs/dbraw/zinc/72/37/38/432723738.db2.gz PRRGNOLXRNKDHR-UHFFFAOYSA-N -1 3 321.336 3.082 20 70 DGIDHM CCCCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)CCC ZINC000161300409 432772183 /nfs/dbraw/zinc/77/21/83/432772183.db2.gz XDRBYGHTHNGWIG-ZDUSSCGKSA-N -1 3 321.465 3.137 20 70 DGIDHM COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1[O-] ZINC000160697108 432736201 /nfs/dbraw/zinc/73/62/01/432736201.db2.gz RCIAJJWXOSYCRP-UHFFFAOYSA-N -1 3 301.342 3.279 20 70 DGIDHM Cc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1Cl ZINC000160749339 432739490 /nfs/dbraw/zinc/73/94/90/432739490.db2.gz NQIPYQDUEWXUEU-VOTSOKGWSA-N -1 3 302.761 3.305 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc4cc[nH]c43)[n-]2)o1 ZINC000160297370 525851517 /nfs/dbraw/zinc/85/15/17/525851517.db2.gz JCVIRDUIQMTFJI-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc4cc[nH]c43)n2)o1 ZINC000160297370 525851523 /nfs/dbraw/zinc/85/15/23/525851523.db2.gz JCVIRDUIQMTFJI-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc4cc[nH]c43)n[n-]2)o1 ZINC000160297370 525851528 /nfs/dbraw/zinc/85/15/28/525851528.db2.gz JCVIRDUIQMTFJI-UHFFFAOYSA-N -1 3 307.313 3.107 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CCc4ccccc43)[n-]2)o1 ZINC000160386618 546059862 /nfs/dbraw/zinc/05/98/62/546059862.db2.gz QSDUWMNNKZTVEJ-CYBMUJFWSA-N -1 3 322.368 3.432 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CCc4ccccc43)n2)o1 ZINC000160386618 546059868 /nfs/dbraw/zinc/05/98/68/546059868.db2.gz QSDUWMNNKZTVEJ-CYBMUJFWSA-N -1 3 322.368 3.432 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CCc4ccccc43)n[n-]2)o1 ZINC000160386618 546059875 /nfs/dbraw/zinc/05/98/75/546059875.db2.gz QSDUWMNNKZTVEJ-CYBMUJFWSA-N -1 3 322.368 3.432 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000159717981 186137275 /nfs/dbraw/zinc/13/72/75/186137275.db2.gz JVIGCRFPNMGVSB-KBPBESRZSA-N -1 3 321.421 3.009 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4ccccc4n3C)[n-]2)o1 ZINC000160321374 400733663 /nfs/dbraw/zinc/73/36/63/400733663.db2.gz GXRLOVAFEAJZDO-UHFFFAOYSA-N -1 3 321.340 3.117 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4ccccc4n3C)n2)o1 ZINC000160321374 400733666 /nfs/dbraw/zinc/73/36/66/400733666.db2.gz GXRLOVAFEAJZDO-UHFFFAOYSA-N -1 3 321.340 3.117 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4n3C)n[n-]2)o1 ZINC000160321374 400733670 /nfs/dbraw/zinc/73/36/70/400733670.db2.gz GXRLOVAFEAJZDO-UHFFFAOYSA-N -1 3 321.340 3.117 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(Cc2cccc(F)c2)C2CC2)n1 ZINC000160923691 432750238 /nfs/dbraw/zinc/75/02/38/432750238.db2.gz SOHBUMZHZSSORX-UHFFFAOYSA-N -1 3 301.365 3.048 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(Cc2ccc(F)cc2)C2CC2)n1 ZINC000160581256 432730978 /nfs/dbraw/zinc/73/09/78/432730978.db2.gz DDNGJLVJCFBGNZ-UHFFFAOYSA-N -1 3 301.365 3.048 20 70 DGIDHM CCOCCOCc1cccc(NC(=O)[N-]OCC(C)C)c1C ZINC000160729757 432736882 /nfs/dbraw/zinc/73/68/82/432736882.db2.gz FBHXBPKBQYCXDP-UHFFFAOYSA-N -1 3 324.421 3.257 20 70 DGIDHM COc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160862376 432746227 /nfs/dbraw/zinc/74/62/27/432746227.db2.gz VZKJAUKBDQQGIW-ZDUSSCGKSA-N -1 3 319.401 3.013 20 70 DGIDHM CC(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3[O-])ccc21 ZINC000160308116 526599478 /nfs/dbraw/zinc/59/94/78/526599478.db2.gz AMUJZBGXMKRMDF-UHFFFAOYSA-N -1 3 324.380 3.252 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000159913425 197372514 /nfs/dbraw/zinc/37/25/14/197372514.db2.gz AHWMKIJTEYGMTA-UHFFFAOYSA-N -1 3 308.769 3.235 20 70 DGIDHM COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000160713565 292820572 /nfs/dbraw/zinc/82/05/72/292820572.db2.gz VROFMNVWZNQWSY-UHFFFAOYSA-N -1 3 307.733 3.315 20 70 DGIDHM O=C(COC/C=C/c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000159875684 432699957 /nfs/dbraw/zinc/69/99/57/432699957.db2.gz OVMKXHRUONIVEX-QPJJXVBHSA-N -1 3 301.317 3.200 20 70 DGIDHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1OC(F)F ZINC000160376625 432717630 /nfs/dbraw/zinc/71/76/30/432717630.db2.gz HIWMRCXFGSLZAY-LBPRGKRZSA-N -1 3 316.304 3.176 20 70 DGIDHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1OC(F)F ZINC000160376625 432717635 /nfs/dbraw/zinc/71/76/35/432717635.db2.gz HIWMRCXFGSLZAY-LBPRGKRZSA-N -1 3 316.304 3.176 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)[n-]2)o1 ZINC000160399703 432719858 /nfs/dbraw/zinc/71/98/58/432719858.db2.gz GPYLSENXJCZGFS-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4ccccc4o3)n2)o1 ZINC000160399703 432719861 /nfs/dbraw/zinc/71/98/61/432719861.db2.gz GPYLSENXJCZGFS-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4o3)n[n-]2)o1 ZINC000160399703 432719864 /nfs/dbraw/zinc/71/98/64/432719864.db2.gz GPYLSENXJCZGFS-UHFFFAOYSA-N -1 3 308.297 3.372 20 70 DGIDHM Cc1cnn(-c2ccc(C)cc2NC(=O)[N-]OCC(C)C)c1 ZINC000161223500 432767453 /nfs/dbraw/zinc/76/74/53/432767453.db2.gz BXGXNILUUKUPAF-UHFFFAOYSA-N -1 3 302.378 3.198 20 70 DGIDHM COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1[O-] ZINC000161325087 432773148 /nfs/dbraw/zinc/77/31/48/432773148.db2.gz MYHQZFCVMJPEQV-UHFFFAOYSA-N -1 3 309.406 3.354 20 70 DGIDHM Cc1ocnc1C(=O)[N-]c1cc(F)c(Br)cc1F ZINC000160920908 292824815 /nfs/dbraw/zinc/82/48/15/292824815.db2.gz PYFUYRTZYNGWJX-UHFFFAOYSA-N -1 3 317.089 3.276 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Cc3ccccc3)[n-]2)o1 ZINC000160335422 534224415 /nfs/dbraw/zinc/22/44/15/534224415.db2.gz BIHOIGOSMAGVOE-NSHDSACASA-N -1 3 310.357 3.190 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Cc3ccccc3)n2)o1 ZINC000160335422 534224419 /nfs/dbraw/zinc/22/44/19/534224419.db2.gz BIHOIGOSMAGVOE-NSHDSACASA-N -1 3 310.357 3.190 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3ccccc3)n[n-]2)o1 ZINC000160335422 534224424 /nfs/dbraw/zinc/22/44/24/534224424.db2.gz BIHOIGOSMAGVOE-NSHDSACASA-N -1 3 310.357 3.190 20 70 DGIDHM CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000160282852 525834115 /nfs/dbraw/zinc/83/41/15/525834115.db2.gz KIEINXSGXRJQQO-NWDGAFQWSA-N -1 3 312.410 3.005 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccs3)[n-]2)o1 ZINC000160332278 525848793 /nfs/dbraw/zinc/84/87/93/525848793.db2.gz CVHOLQBEVLNXRS-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccs3)n2)o1 ZINC000160332278 525848802 /nfs/dbraw/zinc/84/88/02/525848802.db2.gz CVHOLQBEVLNXRS-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccs3)n[n-]2)o1 ZINC000160332278 525848806 /nfs/dbraw/zinc/84/88/06/525848806.db2.gz CVHOLQBEVLNXRS-VIFPVBQESA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4ccc(C)cc4[nH]3)[n-]2)o1 ZINC000160305917 525853625 /nfs/dbraw/zinc/85/36/25/525853625.db2.gz KOBHCCFTZJWXCT-UHFFFAOYSA-N -1 3 321.340 3.415 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4ccc(C)cc4[nH]3)n2)o1 ZINC000160305917 525853628 /nfs/dbraw/zinc/85/36/28/525853628.db2.gz KOBHCCFTZJWXCT-UHFFFAOYSA-N -1 3 321.340 3.415 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4ccc(C)cc4[nH]3)n[n-]2)o1 ZINC000160305917 525853632 /nfs/dbraw/zinc/85/36/32/525853632.db2.gz KOBHCCFTZJWXCT-UHFFFAOYSA-N -1 3 321.340 3.415 20 70 DGIDHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000161459683 529073957 /nfs/dbraw/zinc/07/39/57/529073957.db2.gz OHSLIDIWHQABQS-UHFFFAOYSA-N -1 3 301.342 3.076 20 70 DGIDHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(F)cc1 ZINC000161329006 529074439 /nfs/dbraw/zinc/07/44/39/529074439.db2.gz YNUUDTJSOQYSFP-UHFFFAOYSA-N -1 3 319.332 3.215 20 70 DGIDHM CCc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000160794352 529686500 /nfs/dbraw/zinc/68/65/00/529686500.db2.gz VRDUSLSETSZWRD-UHFFFAOYSA-N -1 3 301.342 3.224 20 70 DGIDHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)c1cccs1 ZINC000159995952 197378749 /nfs/dbraw/zinc/37/87/49/197378749.db2.gz IAZHVZWQLQPJIP-UHFFFAOYSA-N -1 3 322.405 3.370 20 70 DGIDHM CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160328122 432716486 /nfs/dbraw/zinc/71/64/86/432716486.db2.gz MCIHVVQNZVNDHB-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160328122 432716492 /nfs/dbraw/zinc/71/64/92/432716492.db2.gz MCIHVVQNZVNDHB-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160328122 432716496 /nfs/dbraw/zinc/71/64/96/432716496.db2.gz MCIHVVQNZVNDHB-UHFFFAOYSA-N -1 3 312.329 3.024 20 70 DGIDHM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc(OC)c1[O-] ZINC000161133643 432760703 /nfs/dbraw/zinc/76/07/03/432760703.db2.gz QAZRKLSGYPHZIM-JSGCOSHPSA-N -1 3 319.401 3.204 20 70 DGIDHM CC(C)CO[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000161300717 432772189 /nfs/dbraw/zinc/77/21/89/432772189.db2.gz LEMSDUIMIVNQBD-UHFFFAOYSA-N -1 3 322.405 3.280 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000160632582 432732036 /nfs/dbraw/zinc/73/20/36/432732036.db2.gz WLJWMXDAWXKEGX-INIZCTEOSA-N -1 3 313.401 3.090 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCc3sccc3[C@H]2CC)n1 ZINC000160832714 432743671 /nfs/dbraw/zinc/74/36/71/432743671.db2.gz VHRSYEAGOKHXSI-CYBMUJFWSA-N -1 3 303.431 3.316 20 70 DGIDHM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000161503012 432783420 /nfs/dbraw/zinc/78/34/20/432783420.db2.gz ASPUEWIAOLLDEV-LBPRGKRZSA-N -1 3 302.399 3.295 20 70 DGIDHM COc1cc(C(=O)Nc2cccc3ncccc32)cc(OC)c1[O-] ZINC000160925760 292824798 /nfs/dbraw/zinc/82/47/98/292824798.db2.gz WHDKVFMTXZXCOB-UHFFFAOYSA-N -1 3 324.336 3.210 20 70 DGIDHM CS[C@H]1CCC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000160282968 525909079 /nfs/dbraw/zinc/90/90/79/525909079.db2.gz KIEINXSGXRJQQO-RYUDHWBXSA-N -1 3 312.410 3.005 20 70 DGIDHM CCc1ncsc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000159711328 529763175 /nfs/dbraw/zinc/76/31/75/529763175.db2.gz UKNIVTNCWQQRIH-UHFFFAOYSA-N -1 3 313.386 3.051 20 70 DGIDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1C ZINC000159410465 197351643 /nfs/dbraw/zinc/35/16/43/197351643.db2.gz QVRRWKQFQGNPQM-CQSZACIVSA-N -1 3 303.402 3.231 20 70 DGIDHM Cc1cc(Cl)ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160885198 432748370 /nfs/dbraw/zinc/74/83/70/432748370.db2.gz QJYXKLVYAWOTRA-UHFFFAOYSA-N -1 3 313.748 3.081 20 70 DGIDHM Cc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160885198 432748374 /nfs/dbraw/zinc/74/83/74/432748374.db2.gz QJYXKLVYAWOTRA-UHFFFAOYSA-N -1 3 313.748 3.081 20 70 DGIDHM Cc1cc(Cl)ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160885198 432748379 /nfs/dbraw/zinc/74/83/79/432748379.db2.gz QJYXKLVYAWOTRA-UHFFFAOYSA-N -1 3 313.748 3.081 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2F)C2CC2)n1 ZINC000160574050 432729464 /nfs/dbraw/zinc/72/94/64/432729464.db2.gz IJLYVODYEKAIQH-UHFFFAOYSA-N -1 3 301.365 3.048 20 70 DGIDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161483957 432781780 /nfs/dbraw/zinc/78/17/80/432781780.db2.gz MUFIUOATAOTUPL-OLZOCXBDSA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161483957 432781782 /nfs/dbraw/zinc/78/17/82/432781782.db2.gz MUFIUOATAOTUPL-OLZOCXBDSA-N -1 3 311.389 3.022 20 70 DGIDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161483957 432781785 /nfs/dbraw/zinc/78/17/85/432781785.db2.gz MUFIUOATAOTUPL-OLZOCXBDSA-N -1 3 311.389 3.022 20 70 DGIDHM COc1cc(NC(=O)[N-]OCC(C)C)ccc1Br ZINC000160750583 432739548 /nfs/dbraw/zinc/73/95/48/432739548.db2.gz RPMWROCMCKGFMB-UHFFFAOYSA-N -1 3 317.183 3.167 20 70 DGIDHM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)cc2cccnc21 ZINC000161036487 292826657 /nfs/dbraw/zinc/82/66/57/292826657.db2.gz DUALCQYVSVCMMN-UHFFFAOYSA-N -1 3 314.345 3.355 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccc(C)c3)[n-]2)o1 ZINC000160332823 525849988 /nfs/dbraw/zinc/84/99/88/525849988.db2.gz PAPGKKDSWWOZBZ-LBPRGKRZSA-N -1 3 310.357 3.424 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccc(C)c3)n2)o1 ZINC000160332823 525849996 /nfs/dbraw/zinc/84/99/96/525849996.db2.gz PAPGKKDSWWOZBZ-LBPRGKRZSA-N -1 3 310.357 3.424 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc(C)c3)n[n-]2)o1 ZINC000160332823 525850009 /nfs/dbraw/zinc/85/00/09/525850009.db2.gz PAPGKKDSWWOZBZ-LBPRGKRZSA-N -1 3 310.357 3.424 20 70 DGIDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)cc2[O-])C12CCC2 ZINC000159482712 527900868 /nfs/dbraw/zinc/90/08/68/527900868.db2.gz KASYMCIQCNKCFG-JKSUJKDBSA-N -1 3 303.402 3.120 20 70 DGIDHM CC(C)CON=C([O-])Nc1cc(Br)ccc1F ZINC000160255324 197395477 /nfs/dbraw/zinc/39/54/77/197395477.db2.gz LKWRUEVXWDVEPE-UHFFFAOYSA-N -1 3 305.147 3.297 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1cc(Br)ccc1F ZINC000160255324 197395479 /nfs/dbraw/zinc/39/54/79/197395479.db2.gz LKWRUEVXWDVEPE-UHFFFAOYSA-N -1 3 305.147 3.297 20 70 DGIDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160667158 533599395 /nfs/dbraw/zinc/59/93/95/533599395.db2.gz WUOIMJZXYOPRBE-AWEZNQCLSA-N -1 3 303.402 3.312 20 70 DGIDHM C[C@H](CNc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000159580907 228242355 /nfs/dbraw/zinc/24/23/55/228242355.db2.gz IJDVDBXDSOZJPB-GFCCVEGCSA-N -1 3 318.804 3.205 20 70 DGIDHM CCCCS[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160267188 432713580 /nfs/dbraw/zinc/71/35/80/432713580.db2.gz MVFNYIUZHGCVCH-SNVBAGLBSA-N -1 3 308.407 3.233 20 70 DGIDHM CCCCS[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160267188 432713583 /nfs/dbraw/zinc/71/35/83/432713583.db2.gz MVFNYIUZHGCVCH-SNVBAGLBSA-N -1 3 308.407 3.233 20 70 DGIDHM CCCCS[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160267188 432713587 /nfs/dbraw/zinc/71/35/87/432713587.db2.gz MVFNYIUZHGCVCH-SNVBAGLBSA-N -1 3 308.407 3.233 20 70 DGIDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(C)C)C2)c1 ZINC000161032806 432756392 /nfs/dbraw/zinc/75/63/92/432756392.db2.gz FAJOMRKZPQXORD-AWEZNQCLSA-N -1 3 318.417 3.249 20 70 DGIDHM COc1cc(C(=O)Nc2ccc3[nH]ccc3c2)cc(OC)c1[O-] ZINC000161317991 432772694 /nfs/dbraw/zinc/77/26/94/432772694.db2.gz YDOOVBRXOGFAQW-UHFFFAOYSA-N -1 3 312.325 3.143 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000160632458 432732003 /nfs/dbraw/zinc/73/20/03/432732003.db2.gz WLJWMXDAWXKEGX-MRXNPFEDSA-N -1 3 313.401 3.090 20 70 DGIDHM Cc1ccc([O-])c(CN(C)Cc2ccc(Br)cc2)n1 ZINC000160797552 432742189 /nfs/dbraw/zinc/74/21/89/432742189.db2.gz VSTIUILLPWEJEQ-UHFFFAOYSA-N -1 3 321.218 3.490 20 70 DGIDHM C[C@@H](CNc1ccccc1)NC(=O)Cc1ccc([O-])cc1Cl ZINC000159580767 534095041 /nfs/dbraw/zinc/09/50/41/534095041.db2.gz IJDVDBXDSOZJPB-LBPRGKRZSA-N -1 3 318.804 3.205 20 70 DGIDHM CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000160283114 525828185 /nfs/dbraw/zinc/82/81/85/525828185.db2.gz KIEINXSGXRJQQO-VXGBXAGGSA-N -1 3 312.410 3.005 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3ccsc3)[n-]2)o1 ZINC000160367542 525851924 /nfs/dbraw/zinc/85/19/24/525851924.db2.gz SGCICKTUMQZGLT-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3ccsc3)n2)o1 ZINC000160367542 525851937 /nfs/dbraw/zinc/85/19/37/525851937.db2.gz SGCICKTUMQZGLT-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3ccsc3)n[n-]2)o1 ZINC000160367542 525851942 /nfs/dbraw/zinc/85/19/42/525851942.db2.gz SGCICKTUMQZGLT-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM CCCC[C@H](CC)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161367108 528912771 /nfs/dbraw/zinc/91/27/71/528912771.db2.gz WSTXSEWDVCWLSB-LBPRGKRZSA-N -1 3 309.406 3.356 20 70 DGIDHM COc1ccc([O-])c(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000218427484 432658436 /nfs/dbraw/zinc/65/84/36/432658436.db2.gz XZUUODXFNPMMHP-UHFFFAOYSA-N -1 3 321.336 3.110 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3cccc(C)c3)[n-]2)o1 ZINC000160332684 432715191 /nfs/dbraw/zinc/71/51/91/432715191.db2.gz PAPGKKDSWWOZBZ-GFCCVEGCSA-N -1 3 310.357 3.424 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3cccc(C)c3)n2)o1 ZINC000160332684 432715195 /nfs/dbraw/zinc/71/51/95/432715195.db2.gz PAPGKKDSWWOZBZ-GFCCVEGCSA-N -1 3 310.357 3.424 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3cccc(C)c3)n[n-]2)o1 ZINC000160332684 432715199 /nfs/dbraw/zinc/71/51/99/432715199.db2.gz PAPGKKDSWWOZBZ-GFCCVEGCSA-N -1 3 310.357 3.424 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C(C)C)nc3)[n-]2)o1 ZINC000160867011 432747595 /nfs/dbraw/zinc/74/75/95/432747595.db2.gz WQTNUPXNVFSCDP-UHFFFAOYSA-N -1 3 311.345 3.144 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C(C)C)nc3)n2)o1 ZINC000160867011 432747598 /nfs/dbraw/zinc/74/75/98/432747598.db2.gz WQTNUPXNVFSCDP-UHFFFAOYSA-N -1 3 311.345 3.144 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)C)nc3)n[n-]2)o1 ZINC000160867011 432747603 /nfs/dbraw/zinc/74/76/03/432747603.db2.gz WQTNUPXNVFSCDP-UHFFFAOYSA-N -1 3 311.345 3.144 20 70 DGIDHM O=C(/C=C/c1cccc2ccccc12)[N-]OCc1cccnc1 ZINC000160741168 432739183 /nfs/dbraw/zinc/73/91/83/432739183.db2.gz OCLPRQUBMZJRFN-ZHACJKMWSA-N -1 3 304.349 3.496 20 70 DGIDHM CC[C@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000160787379 432740257 /nfs/dbraw/zinc/74/02/57/432740257.db2.gz CVBZTLBMLDCIMI-LBPRGKRZSA-N -1 3 307.390 3.062 20 70 DGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000160821314 432743517 /nfs/dbraw/zinc/74/35/17/432743517.db2.gz XTTXUXNWIHROKQ-UHFFFAOYSA-N -1 3 316.357 3.483 20 70 DGIDHM COc1cc(C(=O)Nc2ccc(F)cc2C)cc(OC)c1[O-] ZINC000160923699 292824749 /nfs/dbraw/zinc/82/47/49/292824749.db2.gz YDHXIFNPOQRVLN-UHFFFAOYSA-N -1 3 305.305 3.109 20 70 DGIDHM Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC000159473546 534259437 /nfs/dbraw/zinc/25/94/37/534259437.db2.gz YLPQLEMPVGCGJQ-UHFFFAOYSA-N -1 3 321.380 3.363 20 70 DGIDHM Cc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1[O-] ZINC000159473680 534585307 /nfs/dbraw/zinc/58/53/07/534585307.db2.gz KUAXTYVXZWWOLX-UHFFFAOYSA-N -1 3 321.380 3.363 20 70 DGIDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C)ccc2[O-])C12CCC2 ZINC000159485314 527899289 /nfs/dbraw/zinc/89/92/89/527899289.db2.gz YKWZQGRSVRKGNU-JKSUJKDBSA-N -1 3 303.402 3.120 20 70 DGIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C)ccc2[O-])C12CCC2 ZINC000159485462 528129148 /nfs/dbraw/zinc/12/91/48/528129148.db2.gz YKWZQGRSVRKGNU-HOTGVXAUSA-N -1 3 303.402 3.120 20 70 DGIDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccs2)s1 ZINC000159670173 186133988 /nfs/dbraw/zinc/13/39/88/186133988.db2.gz WLWFPTCJTHFUTR-SECBINFHSA-N -1 3 301.458 3.028 20 70 DGIDHM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc(OC)c1[O-] ZINC000161133910 432760679 /nfs/dbraw/zinc/76/06/79/432760679.db2.gz QAZRKLSGYPHZIM-GXTWGEPZSA-N -1 3 319.401 3.204 20 70 DGIDHM COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(OC)c1[O-] ZINC000161141510 432762144 /nfs/dbraw/zinc/76/21/44/432762144.db2.gz ZBLVOLRYSWDAMJ-LBPRGKRZSA-N -1 3 315.369 3.243 20 70 DGIDHM CCc1cccc(C(=O)NCCc2nc(C)c(C)s2)c1[O-] ZINC000160095813 292807714 /nfs/dbraw/zinc/80/77/14/292807714.db2.gz WPBDQSZPCOGMRX-UHFFFAOYSA-N -1 3 304.415 3.000 20 70 DGIDHM Cc1nnc([N-]C(=O)c2occc2-c2ccc(F)cc2)s1 ZINC000160165185 292808903 /nfs/dbraw/zinc/80/89/03/292808903.db2.gz WZCHGZIZFZPNIO-UHFFFAOYSA-N -1 3 303.318 3.498 20 70 DGIDHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1c[n-]nn1 ZINC000159802719 534794220 /nfs/dbraw/zinc/79/42/20/534794220.db2.gz HYCIHSPTSBVGLJ-AWEZNQCLSA-N -1 3 304.781 3.119 20 70 DGIDHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1cnn[n-]1 ZINC000159802719 534794225 /nfs/dbraw/zinc/79/42/25/534794225.db2.gz HYCIHSPTSBVGLJ-AWEZNQCLSA-N -1 3 304.781 3.119 20 70 DGIDHM O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1cn[n-]n1 ZINC000159802719 534794228 /nfs/dbraw/zinc/79/42/28/534794228.db2.gz HYCIHSPTSBVGLJ-AWEZNQCLSA-N -1 3 304.781 3.119 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)c3cccs3)[n-]2)o1 ZINC000160332416 525850590 /nfs/dbraw/zinc/85/05/90/525850590.db2.gz CVHOLQBEVLNXRS-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)c3cccs3)n2)o1 ZINC000160332416 525850596 /nfs/dbraw/zinc/85/05/96/525850596.db2.gz CVHOLQBEVLNXRS-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)c3cccs3)n[n-]2)o1 ZINC000160332416 525850608 /nfs/dbraw/zinc/85/06/08/525850608.db2.gz CVHOLQBEVLNXRS-SECBINFHSA-N -1 3 302.359 3.177 20 70 DGIDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C)c2[O-])C12CCC2 ZINC000159483277 527900782 /nfs/dbraw/zinc/90/07/82/527900782.db2.gz QPNMSLVFBXIUKF-LSDHHAIUSA-N -1 3 303.402 3.120 20 70 DGIDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(C)c2[O-])C12CCC2 ZINC000159483409 528129686 /nfs/dbraw/zinc/12/96/86/528129686.db2.gz QPNMSLVFBXIUKF-GJZGRUSLSA-N -1 3 303.402 3.120 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CCc4ccccc43)[n-]2)o1 ZINC000160386487 546059707 /nfs/dbraw/zinc/05/97/07/546059707.db2.gz QSDUWMNNKZTVEJ-ZDUSSCGKSA-N -1 3 322.368 3.432 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CCc4ccccc43)n2)o1 ZINC000160386487 546059716 /nfs/dbraw/zinc/05/97/16/546059716.db2.gz QSDUWMNNKZTVEJ-ZDUSSCGKSA-N -1 3 322.368 3.432 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CCc4ccccc43)n[n-]2)o1 ZINC000160386487 546059719 /nfs/dbraw/zinc/05/97/19/546059719.db2.gz QSDUWMNNKZTVEJ-ZDUSSCGKSA-N -1 3 322.368 3.432 20 70 DGIDHM COc1cc(C(=O)OCc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000217876443 627102840 /nfs/dbraw/zinc/10/28/40/627102840.db2.gz FHPPNYLCEKBNHD-UHFFFAOYSA-N -1 3 322.744 3.420 20 70 DGIDHM COCCOc1c(Cl)cccc1NC([O-])=NOCC(C)C ZINC000159646796 186133093 /nfs/dbraw/zinc/13/30/93/186133093.db2.gz XBHGBGBPQUJVOD-UHFFFAOYSA-N -1 3 316.785 3.074 20 70 DGIDHM COCCOc1c(Cl)cccc1NC(=O)[N-]OCC(C)C ZINC000159646796 186133094 /nfs/dbraw/zinc/13/30/94/186133094.db2.gz XBHGBGBPQUJVOD-UHFFFAOYSA-N -1 3 316.785 3.074 20 70 DGIDHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[N-]OCC(C)C ZINC000159724156 186137366 /nfs/dbraw/zinc/13/73/66/186137366.db2.gz RJWDVRGATWQXAV-UHFFFAOYSA-N -1 3 321.421 3.090 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000160545978 432726251 /nfs/dbraw/zinc/72/62/51/432726251.db2.gz UTHGMVQIVNXSFX-MRXNPFEDSA-N -1 3 313.401 3.090 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(F)c3)[n-]2)o1 ZINC000160185239 432710652 /nfs/dbraw/zinc/71/06/52/432710652.db2.gz KPMKPLXLYTVTOL-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)c(F)c3)n2)o1 ZINC000160185239 432710657 /nfs/dbraw/zinc/71/06/57/432710657.db2.gz KPMKPLXLYTVTOL-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(F)c3)n[n-]2)o1 ZINC000160185239 432710659 /nfs/dbraw/zinc/71/06/59/432710659.db2.gz KPMKPLXLYTVTOL-UHFFFAOYSA-N -1 3 300.293 3.073 20 70 DGIDHM Cc1ccc(Br)c(C(=O)Nc2ncccc2[O-])c1 ZINC000159561945 432687280 /nfs/dbraw/zinc/68/72/80/432687280.db2.gz LRWBQQPEORNFNK-UHFFFAOYSA-N -1 3 307.147 3.110 20 70 DGIDHM C[C@H](CSCc1ccccc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000161204671 432766494 /nfs/dbraw/zinc/76/64/94/432766494.db2.gz WOZFZSAWGMJJBZ-UKRRQHHQSA-N -1 3 309.431 3.130 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(Cc2ccco2)Cc2ccco2)n1 ZINC000160584303 432730461 /nfs/dbraw/zinc/73/04/61/432730461.db2.gz BQMVGMDVLISCRL-UHFFFAOYSA-N -1 3 313.357 3.133 20 70 DGIDHM O=C(/C=C/c1cccc(C(F)(F)F)c1)[N-]OCc1cccnc1 ZINC000160828501 432744080 /nfs/dbraw/zinc/74/40/80/432744080.db2.gz QMWWQTCSTOZPDN-VOTSOKGWSA-N -1 3 322.286 3.362 20 70 DGIDHM CC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000159772041 527318170 /nfs/dbraw/zinc/31/81/70/527318170.db2.gz DRFMYJSBHNKCLK-CYBMUJFWSA-N -1 3 317.410 3.435 20 70 DGIDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[O-])C12CCC2 ZINC000159483470 527799270 /nfs/dbraw/zinc/79/92/70/527799270.db2.gz QPNMSLVFBXIUKF-HUUCEWRRSA-N -1 3 303.402 3.120 20 70 DGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1F ZINC000159425337 197352233 /nfs/dbraw/zinc/35/22/33/197352233.db2.gz TWPLGDADRRDLIT-LLVKDONJSA-N -1 3 322.258 3.424 20 70 DGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1F ZINC000159425337 197352234 /nfs/dbraw/zinc/35/22/34/197352234.db2.gz TWPLGDADRRDLIT-LLVKDONJSA-N -1 3 322.258 3.424 20 70 DGIDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160667033 228248507 /nfs/dbraw/zinc/24/85/07/228248507.db2.gz WUOIMJZXYOPRBE-CQSZACIVSA-N -1 3 303.402 3.312 20 70 DGIDHM CC(C)c1cc(C(=O)[N-]c2nncs2)nn1-c1ccccc1 ZINC000160346708 275729827 /nfs/dbraw/zinc/72/98/27/275729827.db2.gz FZXCVMRIALWHJW-UHFFFAOYSA-N -1 3 313.386 3.100 20 70 DGIDHM CC(C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C1CC1 ZINC000159372960 432681192 /nfs/dbraw/zinc/68/11/92/432681192.db2.gz RPUILKHHLPSCKO-UHFFFAOYSA-N -1 3 303.337 3.438 20 70 DGIDHM CCc1cccc(C(=O)N2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000160953121 432751266 /nfs/dbraw/zinc/75/12/66/432751266.db2.gz IGMGVPBKMFJLQB-UHFFFAOYSA-N -1 3 305.418 3.374 20 70 DGIDHM CC(C)CON=C([O-])Nc1ccn(-c2ccccc2Cl)n1 ZINC000161153773 432762890 /nfs/dbraw/zinc/76/28/90/432762890.db2.gz UNMFCASMMUEHEO-UHFFFAOYSA-N -1 3 308.769 3.235 20 70 DGIDHM CC(C)CO[N-]C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000161153773 432762893 /nfs/dbraw/zinc/76/28/93/432762893.db2.gz UNMFCASMMUEHEO-UHFFFAOYSA-N -1 3 308.769 3.235 20 70 DGIDHM Cc1c(NC([O-])=NOCC(C)C)cnn1-c1ccccc1F ZINC000161217242 432766615 /nfs/dbraw/zinc/76/66/15/432766615.db2.gz ZIFUWHXBLUYPGK-UHFFFAOYSA-N -1 3 306.341 3.029 20 70 DGIDHM Cc1c(NC(=O)[N-]OCC(C)C)cnn1-c1ccccc1F ZINC000161217242 432766620 /nfs/dbraw/zinc/76/66/20/432766620.db2.gz ZIFUWHXBLUYPGK-UHFFFAOYSA-N -1 3 306.341 3.029 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc4ncccc4c3)[n-]2)o1 ZINC000160301555 525850933 /nfs/dbraw/zinc/85/09/33/525850933.db2.gz KRXILNWTFOYIRI-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4ncccc4c3)n2)o1 ZINC000160301555 525850938 /nfs/dbraw/zinc/85/09/38/525850938.db2.gz KRXILNWTFOYIRI-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc4ncccc4c3)n[n-]2)o1 ZINC000160301555 525850946 /nfs/dbraw/zinc/85/09/46/525850946.db2.gz KRXILNWTFOYIRI-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM CCc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000159626275 529692077 /nfs/dbraw/zinc/69/20/77/529692077.db2.gz UMNQNQJUQLPWSK-AWEZNQCLSA-N -1 3 303.402 3.176 20 70 DGIDHM COc1cc(C(=O)Nc2cc(C)cc(F)c2)cc(OC)c1[O-] ZINC000160658800 292819260 /nfs/dbraw/zinc/81/92/60/292819260.db2.gz JWZYBJAHHBALTN-UHFFFAOYSA-N -1 3 305.305 3.109 20 70 DGIDHM Cc1nnc(-c2cccc(C(=O)Nc3ccc(C)cc3[O-])c2)o1 ZINC000160507206 400735407 /nfs/dbraw/zinc/73/54/07/400735407.db2.gz PZGCQJZUYXQKQK-UHFFFAOYSA-N -1 3 309.325 3.311 20 70 DGIDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000160293094 228246405 /nfs/dbraw/zinc/24/64/05/228246405.db2.gz WZRBVVYJDJZWSR-CQSZACIVSA-N -1 3 303.402 3.312 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)c(F)cc3F)[n-]2)o1 ZINC000160241866 432712530 /nfs/dbraw/zinc/71/25/30/432712530.db2.gz NEGZNJBONMYHAG-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)c(F)cc3F)n2)o1 ZINC000160241866 432712534 /nfs/dbraw/zinc/71/25/34/432712534.db2.gz NEGZNJBONMYHAG-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)c(F)cc3F)n[n-]2)o1 ZINC000160241866 432712537 /nfs/dbraw/zinc/71/25/37/432712537.db2.gz NEGZNJBONMYHAG-UHFFFAOYSA-N -1 3 318.283 3.212 20 70 DGIDHM CC(C)(C(=O)Nc1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000160532024 432726472 /nfs/dbraw/zinc/72/64/72/432726472.db2.gz 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/nfs/dbraw/zinc/25/06/49/228250649.db2.gz BXWUFJDBYQNKFX-UHFFFAOYSA-N -1 3 304.400 3.096 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(Cl)c3)[n-]2)o1 ZINC000160247636 432712552 /nfs/dbraw/zinc/71/25/52/432712552.db2.gz JSKLSKIIBRQAFL-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc(Cl)c3)n2)o1 ZINC000160247636 432712556 /nfs/dbraw/zinc/71/25/56/432712556.db2.gz JSKLSKIIBRQAFL-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(Cl)c3)n[n-]2)o1 ZINC000160247636 432712559 /nfs/dbraw/zinc/71/25/59/432712559.db2.gz JSKLSKIIBRQAFL-UHFFFAOYSA-N -1 3 316.748 3.208 20 70 DGIDHM CCCCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C)CCC ZINC000161300557 432771403 /nfs/dbraw/zinc/77/14/03/432771403.db2.gz XDRBYGHTHNGWIG-CYBMUJFWSA-N -1 3 321.465 3.137 20 70 DGIDHM COc1cc(C(=O)NC2CCCCCCC2)cc(OC)c1[O-] ZINC000160797030 432742022 /nfs/dbraw/zinc/74/20/22/432742022.db2.gz OYXQMMRZFRLAMZ-UHFFFAOYSA-N -1 3 307.390 3.252 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccsc3)[n-]2)o1 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20 70 DGIDHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccccc1[O-] ZINC000160952026 432750671 /nfs/dbraw/zinc/75/06/71/432750671.db2.gz AAUPXDKXOCQXNW-UHFFFAOYSA-N -1 3 301.346 3.004 20 70 DGIDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC(C)C)C2)c1 ZINC000161032931 432755814 /nfs/dbraw/zinc/75/58/14/432755814.db2.gz FAJOMRKZPQXORD-CQSZACIVSA-N -1 3 318.417 3.249 20 70 DGIDHM C[C@H](CSCc1ccccc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000161204874 432767059 /nfs/dbraw/zinc/76/70/59/432767059.db2.gz WOZFZSAWGMJJBZ-HIFRSBDPSA-N -1 3 309.431 3.130 20 70 DGIDHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000160673345 432735382 /nfs/dbraw/zinc/73/53/82/432735382.db2.gz ICDJXSXGATWWBZ-CYBMUJFWSA-N -1 3 319.401 3.013 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)[n-]2)o1 ZINC000160362444 525852514 /nfs/dbraw/zinc/85/25/14/525852514.db2.gz JLAZGVFCCPXONF-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3Cl)n2)o1 ZINC000160362444 525852526 /nfs/dbraw/zinc/85/25/26/525852526.db2.gz JLAZGVFCCPXONF-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3Cl)n[n-]2)o1 ZINC000160362444 525852535 /nfs/dbraw/zinc/85/25/35/525852535.db2.gz JLAZGVFCCPXONF-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3nccc4ccccc43)[n-]2)o1 ZINC000160410943 525853210 /nfs/dbraw/zinc/85/32/10/525853210.db2.gz YEJKCDHPKMRVSX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3nccc4ccccc43)n2)o1 ZINC000160410943 525853212 /nfs/dbraw/zinc/85/32/12/525853212.db2.gz YEJKCDHPKMRVSX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3nccc4ccccc43)n[n-]2)o1 ZINC000160410943 525853215 /nfs/dbraw/zinc/85/32/15/525853215.db2.gz YEJKCDHPKMRVSX-UHFFFAOYSA-N -1 3 319.324 3.174 20 70 DGIDHM COc1ccc(Br)cc1NC([O-])=NOCC(C)C ZINC000159474018 197355995 /nfs/dbraw/zinc/35/59/95/197355995.db2.gz HNZVGJULBUGWJT-UHFFFAOYSA-N -1 3 317.183 3.167 20 70 DGIDHM COc1ccc(Br)cc1NC(=O)[N-]OCC(C)C ZINC000159474018 197355998 /nfs/dbraw/zinc/35/59/98/197355998.db2.gz HNZVGJULBUGWJT-UHFFFAOYSA-N -1 3 317.183 3.167 20 70 DGIDHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1c[n-]nn1 ZINC000159802612 228243168 /nfs/dbraw/zinc/24/31/68/228243168.db2.gz HYCIHSPTSBVGLJ-CQSZACIVSA-N -1 3 304.781 3.119 20 70 DGIDHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1cnn[n-]1 ZINC000159802612 228243170 /nfs/dbraw/zinc/24/31/70/228243170.db2.gz HYCIHSPTSBVGLJ-CQSZACIVSA-N -1 3 304.781 3.119 20 70 DGIDHM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1cn[n-]n1 ZINC000159802612 228243173 /nfs/dbraw/zinc/24/31/73/228243173.db2.gz HYCIHSPTSBVGLJ-CQSZACIVSA-N -1 3 304.781 3.119 20 70 DGIDHM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000217205810 432655018 /nfs/dbraw/zinc/65/50/18/432655018.db2.gz PLGNTEFRCHEXJM-HNNXBMFYSA-N -1 3 310.397 3.099 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)[n-]2)o1 ZINC000160203971 432709947 /nfs/dbraw/zinc/70/99/47/432709947.db2.gz OMIRKCJSEAWXOQ-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(Cl)c3)n2)o1 ZINC000160203971 432709951 /nfs/dbraw/zinc/70/99/51/432709951.db2.gz OMIRKCJSEAWXOQ-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)n[n-]2)o1 ZINC000160203971 432709955 /nfs/dbraw/zinc/70/99/55/432709955.db2.gz OMIRKCJSEAWXOQ-UHFFFAOYSA-N -1 3 302.721 3.279 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCC4)[n-]2)o1 ZINC000160237586 432711883 /nfs/dbraw/zinc/71/18/83/432711883.db2.gz RUJRXDAJHUBTNY-UHFFFAOYSA-N -1 3 308.341 3.114 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)CCC4)n2)o1 ZINC000160237586 432711888 /nfs/dbraw/zinc/71/18/88/432711888.db2.gz RUJRXDAJHUBTNY-UHFFFAOYSA-N -1 3 308.341 3.114 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCC4)n[n-]2)o1 ZINC000160237586 432711892 /nfs/dbraw/zinc/71/18/92/432711892.db2.gz RUJRXDAJHUBTNY-UHFFFAOYSA-N -1 3 308.341 3.114 20 70 DGIDHM CCc1cc(=O)[n-]c(CN(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000160980740 432752481 /nfs/dbraw/zinc/75/24/81/432752481.db2.gz BEOMFOFFPTYSHX-KRWDZBQOSA-N -1 3 309.413 3.397 20 70 DGIDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)Cc3cccnc3)c(=O)c2c1 ZINC000161194842 432764503 /nfs/dbraw/zinc/76/45/03/432764503.db2.gz QLQCIXZEMMUASS-UHFFFAOYSA-N -1 3 321.380 3.224 20 70 DGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000160655787 432733239 /nfs/dbraw/zinc/73/32/39/432733239.db2.gz RCKUBBJCZHWUMR-OAHLLOKOSA-N -1 3 301.365 3.221 20 70 DGIDHM COc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000160673465 432736518 /nfs/dbraw/zinc/73/65/18/432736518.db2.gz ICDJXSXGATWWBZ-ZDUSSCGKSA-N -1 3 319.401 3.013 20 70 DGIDHM COc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160862270 432746568 /nfs/dbraw/zinc/74/65/68/432746568.db2.gz VZKJAUKBDQQGIW-CYBMUJFWSA-N -1 3 319.401 3.013 20 70 DGIDHM Cc1cccc(C(=O)NCc2csc(-c3ccco3)n2)c1[O-] ZINC000160517331 534609789 /nfs/dbraw/zinc/60/97/89/534609789.db2.gz NSXPBHYTSCHFCO-UHFFFAOYSA-N -1 3 314.366 3.347 20 70 DGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccc(F)cc3)[n-]2)o1 ZINC000160287913 525848140 /nfs/dbraw/zinc/84/81/40/525848140.db2.gz WHTPKVMWAVLNEM-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccc(F)cc3)n2)o1 ZINC000160287913 525848154 /nfs/dbraw/zinc/84/81/54/525848154.db2.gz WHTPKVMWAVLNEM-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccc(F)cc3)n[n-]2)o1 ZINC000160287913 525848163 /nfs/dbraw/zinc/84/81/63/525848163.db2.gz WHTPKVMWAVLNEM-UHFFFAOYSA-N -1 3 314.320 3.084 20 70 DGIDHM