smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc(NC(=O)C3[C@@H]4CCC[C@H]34)[n-]2)o1 ZINC000160333362 366997137 /nfs/dbraw/zinc/99/71/37/366997137.db2.gz GYRYGNVSVHKJPH-SLHIUPAKSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3[C@@H]4CCC[C@H]34)n2)o1 ZINC000160333362 366997145 /nfs/dbraw/zinc/99/71/45/366997145.db2.gz GYRYGNVSVHKJPH-SLHIUPAKSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)C3[C@@H]4CCC[C@H]34)n[n-]2)o1 ZINC000160333362 366997155 /nfs/dbraw/zinc/99/71/55/366997155.db2.gz GYRYGNVSVHKJPH-SLHIUPAKSA-N -1 3 272.308 2.358 20 70 CEIDHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000160314127 366993766 /nfs/dbraw/zinc/99/37/66/366993766.db2.gz JYFXUNMSMIVRDV-JTQLQIEISA-N -1 3 281.327 2.210 20 70 CEIDHM CCCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160644722 367023486 /nfs/dbraw/zinc/02/34/86/367023486.db2.gz NSNZHXMJLGOEGT-UHFFFAOYSA-N -1 3 267.325 2.329 20 70 CEIDHM CSC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000160423905 367005155 /nfs/dbraw/zinc/00/51/55/367005155.db2.gz USDZGQSFBWMOFA-QMMMGPOBSA-N -1 3 272.345 2.082 20 70 CEIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC3)c(=O)c2c1 ZINC000161507244 367092642 /nfs/dbraw/zinc/09/26/42/367092642.db2.gz XULBCPRTUPCWED-UHFFFAOYSA-N -1 3 256.305 2.403 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccn3)[n-]2)o1 ZINC000160381067 395060851 /nfs/dbraw/zinc/06/08/51/395060851.db2.gz VMVWLVGNEYPYIJ-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccn3)n2)o1 ZINC000160381067 395060856 /nfs/dbraw/zinc/06/08/56/395060856.db2.gz VMVWLVGNEYPYIJ-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)c3ccccn3)n[n-]2)o1 ZINC000160381067 395060860 /nfs/dbraw/zinc/06/08/60/395060860.db2.gz VMVWLVGNEYPYIJ-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)OCC3CC3)[n-]2)o1 ZINC000160282351 540595652 /nfs/dbraw/zinc/59/56/52/540595652.db2.gz TYKCYTJOLBGYCR-SECBINFHSA-N -1 3 290.323 2.127 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)OCC3CC3)n2)o1 ZINC000160282351 540595656 /nfs/dbraw/zinc/59/56/56/540595656.db2.gz TYKCYTJOLBGYCR-SECBINFHSA-N -1 3 290.323 2.127 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)OCC3CC3)n[n-]2)o1 ZINC000160282351 540595658 /nfs/dbraw/zinc/59/56/58/540595658.db2.gz TYKCYTJOLBGYCR-SECBINFHSA-N -1 3 290.323 2.127 20 70 CEIDHM COc1ccccc1CCC(=O)[N-]OCc1cccnc1 ZINC000160772934 367032996 /nfs/dbraw/zinc/03/29/96/367032996.db2.gz JNOGDDIGOILQFM-UHFFFAOYSA-N -1 3 286.331 2.271 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CCOCC(C)C)[n-]2)o1 ZINC000160198058 162326036 /nfs/dbraw/zinc/32/60/36/162326036.db2.gz BVXUQYRDODOJPY-UHFFFAOYSA-N -1 3 292.339 2.374 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCOCC(C)C)n2)o1 ZINC000160198058 162326039 /nfs/dbraw/zinc/32/60/39/162326039.db2.gz BVXUQYRDODOJPY-UHFFFAOYSA-N -1 3 292.339 2.374 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CCOCC(C)C)n[n-]2)o1 ZINC000160198058 162326042 /nfs/dbraw/zinc/32/60/42/162326042.db2.gz BVXUQYRDODOJPY-UHFFFAOYSA-N -1 3 292.339 2.374 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)CCc2ccccc2)n1 ZINC000160889696 367040532 /nfs/dbraw/zinc/04/05/32/367040532.db2.gz KDTRHLYIHDUXJQ-UHFFFAOYSA-N -1 3 271.364 2.419 20 70 CEIDHM CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC000160997555 367048197 /nfs/dbraw/zinc/04/81/97/367048197.db2.gz IRQLXTFNKBGABH-UHFFFAOYSA-N -1 3 295.813 2.249 20 70 CEIDHM O=C(c1cccc([O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160392341 296253939 /nfs/dbraw/zinc/25/39/39/296253939.db2.gz XXLCUKGKVLPSFV-CZUORRHYSA-N -1 3 275.348 2.159 20 70 CEIDHM COc1cccc(CN(C)C(=O)c2ccc(O)cc2[O-])c1 ZINC000217504324 280209409 /nfs/dbraw/zinc/20/94/09/280209409.db2.gz JNOLTHLFWOUZMY-UHFFFAOYSA-N -1 3 287.315 2.379 20 70 CEIDHM O=C(c1ccccc1[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160459250 367007762 /nfs/dbraw/zinc/00/77/62/367007762.db2.gz KXJPFQPLCVOUNF-LRDDRELGSA-N -1 3 275.348 2.159 20 70 CEIDHM CCCCOCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160175135 366979516 /nfs/dbraw/zinc/97/95/16/366979516.db2.gz CUCDHPLOJCWMCO-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCCCOCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160175135 366979521 /nfs/dbraw/zinc/97/95/21/366979521.db2.gz CUCDHPLOJCWMCO-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCCCOCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160175135 366979528 /nfs/dbraw/zinc/97/95/28/366979528.db2.gz CUCDHPLOJCWMCO-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccc[nH]2)n1 ZINC000160888993 367041486 /nfs/dbraw/zinc/04/14/86/367041486.db2.gz XGXGQJZBYIMACT-ZDUSSCGKSA-N -1 3 272.352 2.410 20 70 CEIDHM COC(=O)C[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000160948978 367045547 /nfs/dbraw/zinc/04/55/47/367045547.db2.gz CCFOWBJGCZSWJX-ZETCQYMHSA-N -1 3 271.700 2.183 20 70 CEIDHM COc1cc(C(=O)NCCC(C)C)cc(OC)c1[O-] ZINC000160750128 367031654 /nfs/dbraw/zinc/03/16/54/367031654.db2.gz LLMCIVIWXVYVPJ-UHFFFAOYSA-N -1 3 267.325 2.185 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3cccnc3)[n-]2)o1 ZINC000160240607 162326470 /nfs/dbraw/zinc/32/64/70/162326470.db2.gz QVKISVBHCKNLCB-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccnc3)n2)o1 ZINC000160240607 162326472 /nfs/dbraw/zinc/32/64/72/162326472.db2.gz QVKISVBHCKNLCB-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)c3cccnc3)n[n-]2)o1 ZINC000160240607 162326474 /nfs/dbraw/zinc/32/64/74/162326474.db2.gz QVKISVBHCKNLCB-UHFFFAOYSA-N -1 3 269.264 2.020 20 70 CEIDHM COc1cc(C(=O)Nc2ncccc2[O-])ccc1F ZINC000159561086 312632937 /nfs/dbraw/zinc/63/29/37/312632937.db2.gz LDMZYCYRPUMLQJ-UHFFFAOYSA-N -1 3 262.240 2.187 20 70 CEIDHM CSC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160425286 367004813 /nfs/dbraw/zinc/00/48/13/367004813.db2.gz DPUCSVFDXMLWIZ-SSDOTTSWSA-N -1 3 280.353 2.311 20 70 CEIDHM CSC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160425286 367004818 /nfs/dbraw/zinc/00/48/18/367004818.db2.gz DPUCSVFDXMLWIZ-SSDOTTSWSA-N -1 3 280.353 2.311 20 70 CEIDHM CSC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160425286 367004823 /nfs/dbraw/zinc/00/48/23/367004823.db2.gz DPUCSVFDXMLWIZ-SSDOTTSWSA-N -1 3 280.353 2.311 20 70 CEIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCOCC3)c(=O)c2c1 ZINC000161180635 367065293 /nfs/dbraw/zinc/06/52/93/367065293.db2.gz LUAJEGTVAVUWOY-UHFFFAOYSA-N -1 3 286.331 2.030 20 70 CEIDHM COc1cc(C(=O)NC2CCCC2)cc(OC)c1[O-] ZINC000160795818 188491128 /nfs/dbraw/zinc/49/11/28/188491128.db2.gz CPBNHSDNRDZFCG-UHFFFAOYSA-N -1 3 265.309 2.082 20 70 CEIDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CC2(C)C)n[n-]1 ZINC000160540464 367015788 /nfs/dbraw/zinc/01/57/88/367015788.db2.gz FRUKEGXKTQKFHW-JTQLQIEISA-N -1 3 286.335 2.465 20 70 CEIDHM CC(=O)N(C)c1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000160722941 367029415 /nfs/dbraw/zinc/02/94/15/367029415.db2.gz WXNYINQBZJTPNA-UHFFFAOYSA-N -1 3 279.340 2.378 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C)n3)[n-]2)o1 ZINC000160286571 395060068 /nfs/dbraw/zinc/06/00/68/395060068.db2.gz DWMDBLJPSCLZMW-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C)n3)n2)o1 ZINC000160286571 395060073 /nfs/dbraw/zinc/06/00/73/395060073.db2.gz DWMDBLJPSCLZMW-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)n3)n[n-]2)o1 ZINC000160286571 395060076 /nfs/dbraw/zinc/06/00/76/395060076.db2.gz DWMDBLJPSCLZMW-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3C3CC3)[n-]2)o1 ZINC000160260834 162324980 /nfs/dbraw/zinc/32/49/80/162324980.db2.gz QXXIHPWSGGXUKO-UWVGGRQHSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3C3CC3)n2)o1 ZINC000160260834 162324983 /nfs/dbraw/zinc/32/49/83/162324983.db2.gz QXXIHPWSGGXUKO-UWVGGRQHSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3C3CC3)n[n-]2)o1 ZINC000160260834 162324985 /nfs/dbraw/zinc/32/49/85/162324985.db2.gz QXXIHPWSGGXUKO-UWVGGRQHSA-N -1 3 272.308 2.358 20 70 CEIDHM O=C(Cc1ccc([O-])cc1Cl)NCC1(CCO)CCC1 ZINC000160180001 312636754 /nfs/dbraw/zinc/63/67/54/312636754.db2.gz HDHXGOUIHRDFEH-UHFFFAOYSA-N -1 3 297.782 2.257 20 70 CEIDHM O=C([N-]Cc1ccc(OC(F)F)cc1)C(F)F ZINC000218046934 538888698 /nfs/dbraw/zinc/88/86/98/538888698.db2.gz CHQQRLCOBGVDRI-UHFFFAOYSA-N -1 3 251.179 2.169 20 70 CEIDHM CO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000160571950 367017676 /nfs/dbraw/zinc/01/76/76/367017676.db2.gz MIVQDZYETKXFSA-CHWSQXEVSA-N -1 3 283.755 2.272 20 70 CEIDHM O=C(/C=C/c1ccccc1)[N-]OCc1cccnc1 ZINC000160828771 367037370 /nfs/dbraw/zinc/03/73/70/367037370.db2.gz SLUBIRDHEWKVFJ-CMDGGOBGSA-N -1 3 254.289 2.343 20 70 CEIDHM COc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000159544597 366924333 /nfs/dbraw/zinc/92/43/33/366924333.db2.gz XQZCGHZCLVIPES-HYVNUMGLSA-N -1 3 295.338 2.469 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)C3=COCCC3)[n-]2)o1 ZINC000160407344 367004270 /nfs/dbraw/zinc/00/42/70/367004270.db2.gz ZNBZXEYOBQNBCA-UHFFFAOYSA-N -1 3 274.280 2.006 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3=COCCC3)n2)o1 ZINC000160407344 367004272 /nfs/dbraw/zinc/00/42/72/367004272.db2.gz ZNBZXEYOBQNBCA-UHFFFAOYSA-N -1 3 274.280 2.006 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)C3=COCCC3)n[n-]2)o1 ZINC000160407344 367004273 /nfs/dbraw/zinc/00/42/73/367004273.db2.gz ZNBZXEYOBQNBCA-UHFFFAOYSA-N -1 3 274.280 2.006 20 70 CEIDHM Cc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000160393461 292421730 /nfs/dbraw/zinc/42/17/30/292421730.db2.gz DQHGEKCZXYLMQF-CXAGYDPISA-N -1 3 289.375 2.468 20 70 CEIDHM CC(=O)c1c[nH]c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160239157 162324875 /nfs/dbraw/zinc/32/48/75/162324875.db2.gz UXCDZCPFMHXXNH-UHFFFAOYSA-N -1 3 299.290 2.156 20 70 CEIDHM CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160239157 162324877 /nfs/dbraw/zinc/32/48/77/162324877.db2.gz UXCDZCPFMHXXNH-UHFFFAOYSA-N -1 3 299.290 2.156 20 70 CEIDHM CC(=O)c1c[nH]c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160239157 162324881 /nfs/dbraw/zinc/32/48/81/162324881.db2.gz UXCDZCPFMHXXNH-UHFFFAOYSA-N -1 3 299.290 2.156 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@@H]3CCCO3)[n-]2)o1 ZINC000160394408 525849231 /nfs/dbraw/zinc/84/92/31/525849231.db2.gz QWMPPRMMLZKEGH-JTQLQIEISA-N -1 3 290.323 2.271 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@@H]3CCCO3)n2)o1 ZINC000160394408 525849237 /nfs/dbraw/zinc/84/92/37/525849237.db2.gz QWMPPRMMLZKEGH-JTQLQIEISA-N -1 3 290.323 2.271 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CC[C@@H]3CCCO3)n[n-]2)o1 ZINC000160394408 525849248 /nfs/dbraw/zinc/84/92/48/525849248.db2.gz QWMPPRMMLZKEGH-JTQLQIEISA-N -1 3 290.323 2.271 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccncc3)[n-]2)o1 ZINC000160376535 525849478 /nfs/dbraw/zinc/84/94/78/525849478.db2.gz BXRUEGWFDYELMR-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccncc3)n2)o1 ZINC000160376535 525849487 /nfs/dbraw/zinc/84/94/87/525849487.db2.gz BXRUEGWFDYELMR-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccncc3)n[n-]2)o1 ZINC000160376535 525849491 /nfs/dbraw/zinc/84/94/91/525849491.db2.gz BXRUEGWFDYELMR-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM O=C(c1cccc([O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160392737 367002824 /nfs/dbraw/zinc/00/28/24/367002824.db2.gz XXLCUKGKVLPSFV-BBRMVZONSA-N -1 3 275.348 2.159 20 70 CEIDHM O=C(c1ccccc1[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160458861 367007881 /nfs/dbraw/zinc/00/78/81/367007881.db2.gz KXJPFQPLCVOUNF-MLGOLLRUSA-N -1 3 275.348 2.159 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccccc3)[n-]2)o1 ZINC000160186377 162326099 /nfs/dbraw/zinc/32/60/99/162326099.db2.gz LAFOFJNQUVESIW-UHFFFAOYSA-N -1 3 298.302 2.391 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccccc3)n2)o1 ZINC000160186377 162326102 /nfs/dbraw/zinc/32/61/02/162326102.db2.gz LAFOFJNQUVESIW-UHFFFAOYSA-N -1 3 298.302 2.391 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)COc3ccccc3)n[n-]2)o1 ZINC000160186377 162326105 /nfs/dbraw/zinc/32/61/05/162326105.db2.gz LAFOFJNQUVESIW-UHFFFAOYSA-N -1 3 298.302 2.391 20 70 CEIDHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160195922 270238345 /nfs/dbraw/zinc/23/83/45/270238345.db2.gz FBAXYESHRZAWQO-UHFFFAOYSA-N -1 3 297.424 2.008 20 70 CEIDHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000161440731 367086407 /nfs/dbraw/zinc/08/64/07/367086407.db2.gz HQEGZXGZEPHTRY-CYBMUJFWSA-N -1 3 297.358 2.104 20 70 CEIDHM Cc1noc(C)c1N(C)C(=O)[N-]c1nnc2ccccn21 ZINC000160244870 540595604 /nfs/dbraw/zinc/59/56/04/540595604.db2.gz RAQCAXAKNSLGBH-UHFFFAOYSA-N -1 3 286.295 2.002 20 70 CEIDHM CCOC(C)(C)CNC(=O)c1cccc(C)c1[O-] ZINC000159488723 366919581 /nfs/dbraw/zinc/91/95/81/366919581.db2.gz IJHYDBAZPWQVFS-UHFFFAOYSA-N -1 3 251.326 2.246 20 70 CEIDHM CCc1cccc(C(=O)NCC2(CCO)CCC2)c1[O-] ZINC000160142553 366976631 /nfs/dbraw/zinc/97/66/31/366976631.db2.gz QDRHKDFUSJLOQO-UHFFFAOYSA-N -1 3 277.364 2.237 20 70 CEIDHM COc1ccsc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160179241 366979694 /nfs/dbraw/zinc/97/96/94/366979694.db2.gz ONKHGWNWMCVANQ-UHFFFAOYSA-N -1 3 287.406 2.225 20 70 CEIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000160318170 366995136 /nfs/dbraw/zinc/99/51/36/366995136.db2.gz YFZQVTDMFKNZQG-SECBINFHSA-N -1 3 295.763 2.182 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)C3CC3)[n-]2)o1 ZINC000160443969 367006758 /nfs/dbraw/zinc/00/67/58/367006758.db2.gz YMVNWLFIGYCJCG-QMMMGPOBSA-N -1 3 260.297 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)C3CC3)n2)o1 ZINC000160443969 367006767 /nfs/dbraw/zinc/00/67/67/367006767.db2.gz YMVNWLFIGYCJCG-QMMMGPOBSA-N -1 3 260.297 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)C3CC3)n[n-]2)o1 ZINC000160443969 367006776 /nfs/dbraw/zinc/00/67/76/367006776.db2.gz YMVNWLFIGYCJCG-QMMMGPOBSA-N -1 3 260.297 2.358 20 70 CEIDHM CCCCN1CCc2ccc(NC(=O)c3cnn[n-]3)cc21 ZINC000160961206 367045172 /nfs/dbraw/zinc/04/51/72/367045172.db2.gz LSTXKEPUCSLDDN-UHFFFAOYSA-N -1 3 285.351 2.220 20 70 CEIDHM CCCCN1CCc2ccc(NC(=O)c3c[n-]nn3)cc21 ZINC000160961206 367045181 /nfs/dbraw/zinc/04/51/81/367045181.db2.gz LSTXKEPUCSLDDN-UHFFFAOYSA-N -1 3 285.351 2.220 20 70 CEIDHM CCCCN1CCc2ccc(NC(=O)c3cn[n-]n3)cc21 ZINC000160961206 367045188 /nfs/dbraw/zinc/04/51/88/367045188.db2.gz LSTXKEPUCSLDDN-UHFFFAOYSA-N -1 3 285.351 2.220 20 70 CEIDHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000161409761 367084138 /nfs/dbraw/zinc/08/41/38/367084138.db2.gz ZZRGPFFODOSTGX-ZDUSSCGKSA-N -1 3 297.358 2.104 20 70 CEIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(F)cc1F ZINC000160138266 366976403 /nfs/dbraw/zinc/97/64/03/366976403.db2.gz OKERTKFAZSXMEG-UHFFFAOYSA-N -1 3 287.331 2.433 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1cccc([S@](C)=O)c1 ZINC000160269328 366989485 /nfs/dbraw/zinc/98/94/85/366989485.db2.gz VWEFFLJOIJVIRT-GOSISDBHSA-N -1 3 270.354 2.133 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160451822 292163325 /nfs/dbraw/zinc/16/33/25/292163325.db2.gz GYUDCRTUEFNYKA-CXAGYDPISA-N -1 3 289.375 2.468 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)CCOc2ccccc2)n1 ZINC000160512995 529564856 /nfs/dbraw/zinc/56/48/56/529564856.db2.gz UWILRGURJCVENW-UHFFFAOYSA-N -1 3 287.363 2.255 20 70 CEIDHM O=C(Cc1ccc([O-])cc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000159430442 366911791 /nfs/dbraw/zinc/91/17/91/366911791.db2.gz FKHFASCGDJNRND-OAHLLOKOSA-N -1 3 295.766 2.227 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000160578258 367019237 /nfs/dbraw/zinc/01/92/37/367019237.db2.gz YHECCOQKXXNGDU-LJQANCHMSA-N -1 3 288.344 2.272 20 70 CEIDHM CC1(NC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000161439969 367086287 /nfs/dbraw/zinc/08/62/87/367086287.db2.gz USWRKYMQQWGPMP-UHFFFAOYSA-N -1 3 252.289 2.273 20 70 CEIDHM Cc1cc([N-]C(=O)[C@H](C)N(C)OCc2ccccc2)on1 ZINC000159616752 366932501 /nfs/dbraw/zinc/93/25/01/366932501.db2.gz SHEFLZIHTDFEFQ-LBPRGKRZSA-N -1 3 289.335 2.374 20 70 CEIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cccs1 ZINC000160186503 366980798 /nfs/dbraw/zinc/98/07/98/366980798.db2.gz IKJCJJWANGXCIA-UHFFFAOYSA-N -1 3 257.380 2.217 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(C)o2)n1 ZINC000160527230 367013661 /nfs/dbraw/zinc/01/36/61/367013661.db2.gz DZJDXPFOBCEBPP-UHFFFAOYSA-N -1 3 261.325 2.278 20 70 CEIDHM COc1cc(C(=O)N(C)Cc2ccco2)cc(OC)c1[O-] ZINC000160828084 367037413 /nfs/dbraw/zinc/03/74/13/367037413.db2.gz KNKOTYCIKZNCMG-UHFFFAOYSA-N -1 3 291.303 2.275 20 70 CEIDHM COc1cc(CC(=O)[N-]OCc2cccnc2)ccc1C ZINC000160865718 367040087 /nfs/dbraw/zinc/04/00/87/367040087.db2.gz YWEAVKMUVXQNCU-UHFFFAOYSA-N -1 3 286.331 2.189 20 70 CEIDHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCc1cccnc1 ZINC000161067889 367053779 /nfs/dbraw/zinc/05/37/79/367053779.db2.gz OGXKGFPCQTYPKT-SNVBAGLBSA-N -1 3 289.335 2.428 20 70 CEIDHM CCC(C)(C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161325476 367078481 /nfs/dbraw/zinc/07/84/81/367078481.db2.gz ILBFRCHAYRKFKK-UHFFFAOYSA-N -1 3 267.325 2.328 20 70 CEIDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]C1=NCCS1 ZINC000159876270 366957110 /nfs/dbraw/zinc/95/71/10/366957110.db2.gz OLMSKXBTHOJEOF-RKDXNWHRSA-N -1 3 266.391 2.379 20 70 CEIDHM CCc1cc(=O)[n-]c(CN2CCC(OCC(C)C)CC2)n1 ZINC000160956407 367045422 /nfs/dbraw/zinc/04/54/22/367045422.db2.gz OAKJYVUNIISQEV-UHFFFAOYSA-N -1 3 293.411 2.382 20 70 CEIDHM O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)[N-]OCc1cccnc1 ZINC000160779382 367034481 /nfs/dbraw/zinc/03/44/81/367034481.db2.gz DJJFRJMFMXBBAD-IACUBPJLSA-N -1 3 260.337 2.456 20 70 CEIDHM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000160951879 367045973 /nfs/dbraw/zinc/04/59/73/367045973.db2.gz APWLQDYVCWDATC-UHFFFAOYSA-N -1 3 292.335 2.388 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CCS[C@@H]3COCC[C@H]32)c1 ZINC000161034157 367051059 /nfs/dbraw/zinc/05/10/59/367051059.db2.gz BJYNIGQJNZMOFI-TZMCWYRMSA-N -1 3 293.388 2.047 20 70 CEIDHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCC(C)C ZINC000161264410 367072850 /nfs/dbraw/zinc/07/28/50/367072850.db2.gz MDUUYOWMBYJMID-SECBINFHSA-N -1 3 254.330 2.489 20 70 CEIDHM Cc1ccc(C(=O)N2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000161015443 526122844 /nfs/dbraw/zinc/12/28/44/526122844.db2.gz ASKSVRJXOIGBTC-OCCSQVGLSA-N -1 3 293.388 2.047 20 70 CEIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000160332940 366996607 /nfs/dbraw/zinc/99/66/07/366996607.db2.gz QCBLBZPAVINCKD-ZETCQYMHSA-N -1 3 283.802 2.105 20 70 CEIDHM CCCSCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160161673 366978302 /nfs/dbraw/zinc/97/83/02/366978302.db2.gz OGKSBUBSINNXKC-UHFFFAOYSA-N -1 3 280.353 2.455 20 70 CEIDHM CCCSCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160161673 366978310 /nfs/dbraw/zinc/97/83/10/366978310.db2.gz OGKSBUBSINNXKC-UHFFFAOYSA-N -1 3 280.353 2.455 20 70 CEIDHM CCCSCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160161673 366978315 /nfs/dbraw/zinc/97/83/15/366978315.db2.gz OGKSBUBSINNXKC-UHFFFAOYSA-N -1 3 280.353 2.455 20 70 CEIDHM Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000160450350 367006678 /nfs/dbraw/zinc/00/66/78/367006678.db2.gz UDWKWFJJVJUYJJ-GUYCJALGSA-N -1 3 289.375 2.468 20 70 CEIDHM COc1ccc(CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160850174 367038289 /nfs/dbraw/zinc/03/82/89/367038289.db2.gz MYGUOESHIWFSBB-UHFFFAOYSA-N -1 3 286.331 2.271 20 70 CEIDHM Cc1ccc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000161015233 292061603 /nfs/dbraw/zinc/06/16/03/292061603.db2.gz ASKSVRJXOIGBTC-JSGCOSHPSA-N -1 3 293.388 2.047 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(C)nc3)[n-]2)o1 ZINC000160249338 162325725 /nfs/dbraw/zinc/32/57/25/162325725.db2.gz JAJFUTZVJBOYFJ-UHFFFAOYSA-N -1 3 297.318 2.258 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(C)nc3)n2)o1 ZINC000160249338 162325732 /nfs/dbraw/zinc/32/57/32/162325732.db2.gz JAJFUTZVJBOYFJ-UHFFFAOYSA-N -1 3 297.318 2.258 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(C)nc3)n[n-]2)o1 ZINC000160249338 162325735 /nfs/dbraw/zinc/32/57/35/162325735.db2.gz JAJFUTZVJBOYFJ-UHFFFAOYSA-N -1 3 297.318 2.258 20 70 CEIDHM COc1ccnc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160349443 540598541 /nfs/dbraw/zinc/59/85/41/540598541.db2.gz ZNNBYWHLZLLMMX-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM COc1ccnc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160349443 540598544 /nfs/dbraw/zinc/59/85/44/540598544.db2.gz ZNNBYWHLZLLMMX-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM COc1ccnc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160349443 540598547 /nfs/dbraw/zinc/59/85/47/540598547.db2.gz ZNNBYWHLZLLMMX-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM CC(C)CON=C([O-])Nc1nnc(C(F)F)s1 ZINC000159568015 366926722 /nfs/dbraw/zinc/92/67/22/366926722.db2.gz DDBCKROLLZSIRQ-UHFFFAOYSA-N -1 3 266.273 2.185 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1nnc(C(F)F)s1 ZINC000159568015 366926729 /nfs/dbraw/zinc/92/67/29/366926729.db2.gz DDBCKROLLZSIRQ-UHFFFAOYSA-N -1 3 266.273 2.185 20 70 CEIDHM Cc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000160393730 367002212 /nfs/dbraw/zinc/00/22/12/367002212.db2.gz DQHGEKCZXYLMQF-SUMWQHHRSA-N -1 3 289.375 2.468 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000160452236 367007209 /nfs/dbraw/zinc/00/72/09/367007209.db2.gz GYUDCRTUEFNYKA-GUYCJALGSA-N -1 3 289.375 2.468 20 70 CEIDHM COc1cc(NC(=O)c2c([O-])cccc2O)ccc1F ZINC000218086197 280210141 /nfs/dbraw/zinc/21/01/41/280210141.db2.gz GQKHOUTVXVXWFV-UHFFFAOYSA-N -1 3 277.251 2.498 20 70 CEIDHM COc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[O-] ZINC000159547455 366925793 /nfs/dbraw/zinc/92/57/93/366925793.db2.gz VWYCHXLYKXLNSL-VNQPRFMTSA-N -1 3 295.338 2.469 20 70 CEIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000160140096 366976881 /nfs/dbraw/zinc/97/68/81/366976881.db2.gz NADKAYZBVOWOIN-UHFFFAOYSA-N -1 3 287.331 2.433 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CCc3cccnc3)[n-]2)o1 ZINC000160166664 366979271 /nfs/dbraw/zinc/97/92/71/366979271.db2.gz PGFGHMRJBVDOLN-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cccnc3)n2)o1 ZINC000160166664 366979274 /nfs/dbraw/zinc/97/92/74/366979274.db2.gz PGFGHMRJBVDOLN-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)n[n-]2)o1 ZINC000160166664 366979278 /nfs/dbraw/zinc/97/92/78/366979278.db2.gz PGFGHMRJBVDOLN-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM CC(C)CON=C([O-])Nc1cnn(CC(F)(F)F)c1 ZINC000160402782 367002788 /nfs/dbraw/zinc/00/27/88/367002788.db2.gz HKZZPILTHVADLS-UHFFFAOYSA-N -1 3 280.250 2.155 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000160402782 367002790 /nfs/dbraw/zinc/00/27/90/367002790.db2.gz HKZZPILTHVADLS-UHFFFAOYSA-N -1 3 280.250 2.155 20 70 CEIDHM O=C(c1ccccc1[O-])N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160459107 296262445 /nfs/dbraw/zinc/26/24/45/296262445.db2.gz KXJPFQPLCVOUNF-BLLLJJGKSA-N -1 3 275.348 2.159 20 70 CEIDHM Cc1cccc(C(=O)N(C)Cc2cccn2C)c1[O-] ZINC000160595833 297438592 /nfs/dbraw/zinc/43/85/92/297438592.db2.gz JTJTYASWEPJOEW-UHFFFAOYSA-N -1 3 258.321 2.311 20 70 CEIDHM COC(=O)c1ccc(NC(=O)[N-]OCC(C)C)cc1F ZINC000161063507 188506425 /nfs/dbraw/zinc/50/64/25/188506425.db2.gz JRJMNXKHGWHTHS-UHFFFAOYSA-N -1 3 284.287 2.321 20 70 CEIDHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccc1[O-] ZINC000159540373 366923641 /nfs/dbraw/zinc/92/36/41/366923641.db2.gz VKAVGIIWMAWMKY-VNQPRFMTSA-N -1 3 265.312 2.460 20 70 CEIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(O)c1 ZINC000160145747 366976558 /nfs/dbraw/zinc/97/65/58/366976558.db2.gz HREALAKQEYRTLB-QMMMGPOBSA-N -1 3 296.348 2.037 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)C3CC=CC3)[n-]2)o1 ZINC000160190861 366981144 /nfs/dbraw/zinc/98/11/44/366981144.db2.gz WKKOLPKUTXXWPZ-UHFFFAOYSA-N -1 3 258.281 2.278 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CC=CC3)n2)o1 ZINC000160190861 366981150 /nfs/dbraw/zinc/98/11/50/366981150.db2.gz WKKOLPKUTXXWPZ-UHFFFAOYSA-N -1 3 258.281 2.278 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)C3CC=CC3)n[n-]2)o1 ZINC000160190861 366981155 /nfs/dbraw/zinc/98/11/55/366981155.db2.gz WKKOLPKUTXXWPZ-UHFFFAOYSA-N -1 3 258.281 2.278 20 70 CEIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000160310078 366993644 /nfs/dbraw/zinc/99/36/44/366993644.db2.gz CVPBODUVXXZDAA-MRVPVSSYSA-N -1 3 295.763 2.182 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2)n1 ZINC000160465006 367008522 /nfs/dbraw/zinc/00/85/22/367008522.db2.gz XURBKSSGPFOZJA-UHFFFAOYSA-N -1 3 257.337 2.377 20 70 CEIDHM CCN(Cc1ccccn1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000161039849 367051262 /nfs/dbraw/zinc/05/12/62/367051262.db2.gz MDSJGMLZNHLGKB-GFCCVEGCSA-N -1 3 288.351 2.227 20 70 CEIDHM O=C(COCC(F)(F)F)N1CCCc2cccc([O-])c21 ZINC000217745165 134420871 /nfs/dbraw/zinc/42/08/71/134420871.db2.gz FDIBBHMKZNNGJF-UHFFFAOYSA-N -1 3 289.253 2.250 20 70 CEIDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2)c(F)c1 ZINC000159500585 366919305 /nfs/dbraw/zinc/91/93/05/366919305.db2.gz AEWXGYFETBIGLG-UHFFFAOYSA-N -1 3 280.324 2.008 20 70 CEIDHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000159532759 366922105 /nfs/dbraw/zinc/92/21/05/366922105.db2.gz VCEYXWUYWOWORZ-NEPJUHHUSA-N -1 3 291.347 2.162 20 70 CEIDHM Cc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000160393604 367002519 /nfs/dbraw/zinc/00/25/19/367002519.db2.gz DQHGEKCZXYLMQF-DYVFJYSZSA-N -1 3 289.375 2.468 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160537046 367014990 /nfs/dbraw/zinc/01/49/90/367014990.db2.gz UROPGJDZHLMDGH-UHFFFAOYSA-N -1 3 277.324 2.280 20 70 CEIDHM O=C(/C=C/c1cccc(F)c1)[N-]OCc1cccnc1 ZINC000160830827 367036962 /nfs/dbraw/zinc/03/69/62/367036962.db2.gz CVXNZULFMSLGFK-VOTSOKGWSA-N -1 3 272.279 2.482 20 70 CEIDHM COc1ncc(C)cc1NC([O-])=NOCC(C)C ZINC000160739953 367031614 /nfs/dbraw/zinc/03/16/14/367031614.db2.gz QMQAVVXRNNXXEH-UHFFFAOYSA-N -1 3 253.302 2.108 20 70 CEIDHM COc1ncc(C)cc1NC(=O)[N-]OCC(C)C ZINC000160739953 367031615 /nfs/dbraw/zinc/03/16/15/367031615.db2.gz QMQAVVXRNNXXEH-UHFFFAOYSA-N -1 3 253.302 2.108 20 70 CEIDHM Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000160450222 292064798 /nfs/dbraw/zinc/06/47/98/292064798.db2.gz UDWKWFJJVJUYJJ-SUMWQHHRSA-N -1 3 289.375 2.468 20 70 CEIDHM COc1cc(C(=O)Nc2ccc(C)cn2)cc(OC)c1[O-] ZINC000161395944 297444597 /nfs/dbraw/zinc/44/45/97/297444597.db2.gz YUARATIRSSDZTM-UHFFFAOYSA-N -1 3 288.303 2.365 20 70 CEIDHM Cc1nc(C)c(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000159476957 366918558 /nfs/dbraw/zinc/91/85/58/366918558.db2.gz HUVFLYVEKLBDDU-UHFFFAOYSA-N -1 3 250.229 2.388 20 70 CEIDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000160303073 366991739 /nfs/dbraw/zinc/99/17/39/366991739.db2.gz KMCWDKGFQRAJDY-SECBINFHSA-N -1 3 295.763 2.182 20 70 CEIDHM CCCC1(CNC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000160523791 367014128 /nfs/dbraw/zinc/01/41/28/367014128.db2.gz QPWRVNVVYWKZLX-UHFFFAOYSA-N -1 3 258.325 2.268 20 70 CEIDHM COc1cc(C(=O)N2CCC[C@H](C)C2)cc(OC)c1[O-] ZINC000160716778 367030087 /nfs/dbraw/zinc/03/00/87/367030087.db2.gz MVOVPMTUESHKPH-JTQLQIEISA-N -1 3 279.336 2.282 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccccn3)[n-]2)o1 ZINC000160282762 534224640 /nfs/dbraw/zinc/22/46/40/534224640.db2.gz IYUUYLZRHBYOAJ-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccccn3)n2)o1 ZINC000160282762 534224644 /nfs/dbraw/zinc/22/46/44/534224644.db2.gz IYUUYLZRHBYOAJ-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccccn3)n[n-]2)o1 ZINC000160282762 534224648 /nfs/dbraw/zinc/22/46/48/534224648.db2.gz IYUUYLZRHBYOAJ-UHFFFAOYSA-N -1 3 297.318 2.339 20 70 CEIDHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccccc1[O-] ZINC000159540232 366923620 /nfs/dbraw/zinc/92/36/20/366923620.db2.gz VKAVGIIWMAWMKY-NUEKZKHPSA-N -1 3 265.312 2.460 20 70 CEIDHM O=C(COC/C=C/c1ccccc1)Nc1ncccc1[O-] ZINC000159563553 366927036 /nfs/dbraw/zinc/92/70/36/366927036.db2.gz RCUXZSOXAQDVNH-VMPITWQZSA-N -1 3 284.315 2.456 20 70 CEIDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000159876017 366956767 /nfs/dbraw/zinc/95/67/67/366956767.db2.gz OLMSKXBTHOJEOF-BDAKNGLRSA-N -1 3 266.391 2.379 20 70 CEIDHM Cc1cccc([C@H](NC(=O)c2c[n-]nn2)c2ccccn2)c1 ZINC000160044472 366968285 /nfs/dbraw/zinc/96/82/85/366968285.db2.gz IYKKHVAPWNFEFU-HNNXBMFYSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1cccc([C@H](NC(=O)c2cnn[n-]2)c2ccccn2)c1 ZINC000160044472 366968291 /nfs/dbraw/zinc/96/82/91/366968291.db2.gz IYKKHVAPWNFEFU-HNNXBMFYSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1cccc([C@H](NC(=O)c2cn[n-]n2)c2ccccn2)c1 ZINC000160044472 366968294 /nfs/dbraw/zinc/96/82/94/366968294.db2.gz IYKKHVAPWNFEFU-HNNXBMFYSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000161299139 367075509 /nfs/dbraw/zinc/07/55/09/367075509.db2.gz HAOKYOCDBKSCNA-CYBMUJFWSA-N -1 3 297.358 2.104 20 70 CEIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc[nH]3)cc2)n1 ZINC000161195171 526117740 /nfs/dbraw/zinc/11/77/40/526117740.db2.gz NASVFJBVYJHUJS-UHFFFAOYSA-N -1 3 294.314 2.326 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)CCC(F)(F)F)n1 ZINC000160990409 529563998 /nfs/dbraw/zinc/56/39/98/529563998.db2.gz PFOZGBGODWIEPF-UHFFFAOYSA-N -1 3 263.263 2.129 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160451948 367006039 /nfs/dbraw/zinc/00/60/39/367006039.db2.gz GYUDCRTUEFNYKA-DYVFJYSZSA-N -1 3 289.375 2.468 20 70 CEIDHM Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000160449992 367007118 /nfs/dbraw/zinc/00/71/18/367007118.db2.gz UDWKWFJJVJUYJJ-CXAGYDPISA-N -1 3 289.375 2.468 20 70 CEIDHM COc1cc(C(=O)NCc2cccs2)cc(OC)c1[O-] ZINC000160916270 367042942 /nfs/dbraw/zinc/04/29/42/367042942.db2.gz SXUUXRGCRQBGJA-UHFFFAOYSA-N -1 3 293.344 2.401 20 70 CEIDHM Cc1ncoc1C(=O)N1CCCc2cccc([O-])c21 ZINC000159475906 279178117 /nfs/dbraw/zinc/17/81/17/279178117.db2.gz WRLJKFCHRVWLCN-UHFFFAOYSA-N -1 3 258.277 2.282 20 70 CEIDHM O=C(/C=C/c1ccc2c(c1)CCO2)[N-]OCc1cccnc1 ZINC000160826483 312641891 /nfs/dbraw/zinc/64/18/91/312641891.db2.gz VMGVUHNDCIDRMH-GQCTYLIASA-N -1 3 296.326 2.278 20 70 CEIDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000160333072 188466474 /nfs/dbraw/zinc/46/64/74/188466474.db2.gz QCBLBZPAVINCKD-SSDOTTSWSA-N -1 3 283.802 2.105 20 70 CEIDHM Cc1cc(F)c(C(=O)[N-]c2nncs2)cc1F ZINC000160299191 540596362 /nfs/dbraw/zinc/59/63/62/540596362.db2.gz WDNAPSFVKUKSFT-UHFFFAOYSA-N -1 3 255.249 2.377 20 70 CEIDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]C1=NCCS1 ZINC000159876422 366956138 /nfs/dbraw/zinc/95/61/38/366956138.db2.gz OLMSKXBTHOJEOF-DTWKUNHWSA-N -1 3 266.391 2.379 20 70 CEIDHM CS[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160413839 367004106 /nfs/dbraw/zinc/00/41/06/367004106.db2.gz PTRATOADRYDIPT-SSDOTTSWSA-N -1 3 266.326 2.063 20 70 CEIDHM CS[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160413839 367004113 /nfs/dbraw/zinc/00/41/13/367004113.db2.gz PTRATOADRYDIPT-SSDOTTSWSA-N -1 3 266.326 2.063 20 70 CEIDHM CS[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160413839 367004124 /nfs/dbraw/zinc/00/41/24/367004124.db2.gz PTRATOADRYDIPT-SSDOTTSWSA-N -1 3 266.326 2.063 20 70 CEIDHM CCc1cc(=O)[n-]c(CN2CCN(c3ccccc3)CC2)n1 ZINC000160469890 367009737 /nfs/dbraw/zinc/00/97/37/367009737.db2.gz NYMTVLDXMDWCNM-UHFFFAOYSA-N -1 3 298.390 2.067 20 70 CEIDHM COc1cccc(C(=O)NCCc2cccc(O)c2)c1[O-] ZINC000160161956 270238400 /nfs/dbraw/zinc/23/84/00/270238400.db2.gz JRPKWTCXTMNMOZ-UHFFFAOYSA-N -1 3 287.315 2.079 20 70 CEIDHM Cc1ccc(C(=O)NCC2(CCO)CCC2)c([O-])c1C ZINC000160142273 280095865 /nfs/dbraw/zinc/09/58/65/280095865.db2.gz AEQCCXRVHFEFCK-UHFFFAOYSA-N -1 3 277.364 2.292 20 70 CEIDHM CCOC(C)(C)CNC(=O)c1cc(C)ccc1[O-] ZINC000159488378 366917592 /nfs/dbraw/zinc/91/75/92/366917592.db2.gz FIXDWTBIDBVWMU-UHFFFAOYSA-N -1 3 251.326 2.246 20 70 CEIDHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(O)cc1[O-] ZINC000159534560 366924405 /nfs/dbraw/zinc/92/44/05/366924405.db2.gz GUYWEQHGXCKXGQ-NUEKZKHPSA-N -1 3 281.311 2.166 20 70 CEIDHM Cc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000160393852 367002270 /nfs/dbraw/zinc/00/22/70/367002270.db2.gz DQHGEKCZXYLMQF-GUYCJALGSA-N -1 3 289.375 2.468 20 70 CEIDHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000160931861 527242270 /nfs/dbraw/zinc/24/22/70/527242270.db2.gz OXPWZJBNIYGJCD-RTXFEEFZSA-N -1 3 281.739 2.024 20 70 CEIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000160302935 366992641 /nfs/dbraw/zinc/99/26/41/366992641.db2.gz KMCWDKGFQRAJDY-VIFPVBQESA-N -1 3 295.763 2.182 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccn2C)c1 ZINC000160602925 367020639 /nfs/dbraw/zinc/02/06/39/367020639.db2.gz ZBAJKGIIVWNYEQ-UHFFFAOYSA-N -1 3 258.321 2.311 20 70 CEIDHM Cc1nc(-c2ccccc2[N-]S(C)(=O)=O)cs1 ZINC000218659440 370211160 /nfs/dbraw/zinc/21/11/60/370211160.db2.gz NYZWIMMWHXASEJ-UHFFFAOYSA-N -1 3 268.363 2.490 20 70 CEIDHM Cc1cc([N-]C(=O)c2c(F)cc(F)cc2F)c[nH]c1=O ZINC000159668470 312632885 /nfs/dbraw/zinc/63/28/85/312632885.db2.gz RBMZXCFFLQDYMS-UHFFFAOYSA-N -1 3 282.221 2.353 20 70 CEIDHM O=C(c1ccccc1[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160458987 367008415 /nfs/dbraw/zinc/00/84/15/367008415.db2.gz KXJPFQPLCVOUNF-WBMJQRKESA-N -1 3 275.348 2.159 20 70 CEIDHM CC(C)CON=C([O-])Nc1ccn(CC(F)(F)F)n1 ZINC000161235732 367070296 /nfs/dbraw/zinc/07/02/96/367070296.db2.gz MXXFVMZBCMOINX-UHFFFAOYSA-N -1 3 280.250 2.155 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000161235732 367070300 /nfs/dbraw/zinc/07/03/00/367070300.db2.gz MXXFVMZBCMOINX-UHFFFAOYSA-N -1 3 280.250 2.155 20 70 CEIDHM Cc1cccc(C(=O)NCCc2cccc(O)c2)c1[O-] ZINC000160155773 270238358 /nfs/dbraw/zinc/23/83/58/270238358.db2.gz JDWBAALYTCXVAN-UHFFFAOYSA-N -1 3 271.316 2.379 20 70 CEIDHM Cc1cc(S(=O)(=O)[N-]Cc2ccncc2)c(F)cc1F ZINC000159561184 366926854 /nfs/dbraw/zinc/92/68/54/366926854.db2.gz MKXKZNDWPVRRNN-UHFFFAOYSA-N -1 3 298.314 2.147 20 70 CEIDHM COc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1 ZINC000159541836 366924673 /nfs/dbraw/zinc/92/46/73/366924673.db2.gz DPQPALVTRBFACV-HYVNUMGLSA-N -1 3 295.338 2.469 20 70 CEIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000160888881 281387024 /nfs/dbraw/zinc/38/70/24/281387024.db2.gz XGXGQJZBYIMACT-CYBMUJFWSA-N -1 3 272.352 2.410 20 70 CEIDHM CSCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160389188 525433697 /nfs/dbraw/zinc/43/36/97/525433697.db2.gz FCSUBYDZDKCRFW-UHFFFAOYSA-N -1 3 286.372 2.474 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)nc3)[n-]2)o1 ZINC000160415696 525851840 /nfs/dbraw/zinc/85/18/40/525851840.db2.gz RSNJNQFGJDGOMD-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)nc3)n2)o1 ZINC000160415696 525851844 /nfs/dbraw/zinc/85/18/44/525851844.db2.gz RSNJNQFGJDGOMD-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)nc3)n[n-]2)o1 ZINC000160415696 525851849 /nfs/dbraw/zinc/85/18/49/525851849.db2.gz RSNJNQFGJDGOMD-UHFFFAOYSA-N -1 3 283.291 2.329 20 70 CEIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000160309997 366993066 /nfs/dbraw/zinc/99/30/66/366993066.db2.gz CVPBODUVXXZDAA-QMMMGPOBSA-N -1 3 295.763 2.182 20 70 CEIDHM CC1=C(C(=O)NCc2ccc([O-])c(F)c2)CCCO1 ZINC000160311918 366993128 /nfs/dbraw/zinc/99/31/28/366993128.db2.gz JTKATTBGEYMMCA-UHFFFAOYSA-N -1 3 265.284 2.232 20 70 CEIDHM COc1cccc(C(=O)N(C)Cc2cccn2C)c1[O-] ZINC000160936831 533394957 /nfs/dbraw/zinc/39/49/57/533394957.db2.gz KDNLHYJLHHZKMV-UHFFFAOYSA-N -1 3 274.320 2.012 20 70 CEIDHM COc1ccc([O-])c(C(=O)N(C)Cc2cccn2C)c1 ZINC000160760989 524725032 /nfs/dbraw/zinc/72/50/32/524725032.db2.gz WCIGVEFSRBOWCJ-UHFFFAOYSA-N -1 3 274.320 2.012 20 70 CEIDHM Cc1cccc([C@@H](NC(=O)c2c[n-]nn2)c2ccccn2)c1 ZINC000160044612 366968949 /nfs/dbraw/zinc/96/89/49/366968949.db2.gz IYKKHVAPWNFEFU-OAHLLOKOSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1cccc([C@@H](NC(=O)c2cnn[n-]2)c2ccccn2)c1 ZINC000160044612 366968954 /nfs/dbraw/zinc/96/89/54/366968954.db2.gz IYKKHVAPWNFEFU-OAHLLOKOSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1cccc([C@@H](NC(=O)c2cn[n-]n2)c2ccccn2)c1 ZINC000160044612 366968959 /nfs/dbraw/zinc/96/89/59/366968959.db2.gz IYKKHVAPWNFEFU-OAHLLOKOSA-N -1 3 293.330 2.028 20 70 CEIDHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1C(=O)N(C)C ZINC000160849994 367037929 /nfs/dbraw/zinc/03/79/29/367037929.db2.gz JCFGLWQSVIOKDL-UHFFFAOYSA-N -1 3 293.367 2.406 20 70 CEIDHM COc1cc(C(=O)N2CCCC[C@H]2C)cc(OC)c1[O-] ZINC000160874884 367039228 /nfs/dbraw/zinc/03/92/28/367039228.db2.gz AMMZZZHIFRVYKN-SNVBAGLBSA-N -1 3 279.336 2.424 20 70 CEIDHM Cc1cc(Cl)cc(NC(=O)[C@@]2(O)CCSC2)c1[O-] ZINC000159395591 540405226 /nfs/dbraw/zinc/40/52/26/540405226.db2.gz CZXLCKANGVIRQZ-GFCCVEGCSA-N -1 3 287.768 2.161 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(CC)CCc2nccs2)n1 ZINC000159417315 366910766 /nfs/dbraw/zinc/91/07/66/366910766.db2.gz PBJLQNHGCWEFDY-UHFFFAOYSA-N -1 3 292.408 2.266 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCS3)[n-]2)o1 ZINC000160383503 367000609 /nfs/dbraw/zinc/00/06/09/367000609.db2.gz XZCDDEWKISBXJT-SECBINFHSA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCS3)n2)o1 ZINC000160383503 367000614 /nfs/dbraw/zinc/00/06/14/367000614.db2.gz XZCDDEWKISBXJT-SECBINFHSA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCS3)n[n-]2)o1 ZINC000160383503 367000618 /nfs/dbraw/zinc/00/06/18/367000618.db2.gz XZCDDEWKISBXJT-SECBINFHSA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000160450087 367007074 /nfs/dbraw/zinc/00/70/74/367007074.db2.gz UDWKWFJJVJUYJJ-DYVFJYSZSA-N -1 3 289.375 2.468 20 70 CEIDHM O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)[N-]OCc1cccnc1 ZINC000160779245 367034347 /nfs/dbraw/zinc/03/43/47/367034347.db2.gz DJJFRJMFMXBBAD-YUTCNCBUSA-N -1 3 260.337 2.456 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)OCC3CC3)[n-]2)o1 ZINC000160282483 540595511 /nfs/dbraw/zinc/59/55/11/540595511.db2.gz TYKCYTJOLBGYCR-VIFPVBQESA-N -1 3 290.323 2.127 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)OCC3CC3)n2)o1 ZINC000160282483 540595515 /nfs/dbraw/zinc/59/55/15/540595515.db2.gz TYKCYTJOLBGYCR-VIFPVBQESA-N -1 3 290.323 2.127 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)OCC3CC3)n[n-]2)o1 ZINC000160282483 540595518 /nfs/dbraw/zinc/59/55/18/540595518.db2.gz TYKCYTJOLBGYCR-VIFPVBQESA-N -1 3 290.323 2.127 20 70 CEIDHM CNC(=O)c1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000159410258 366910005 /nfs/dbraw/zinc/91/00/05/366910005.db2.gz SJMKWOTWNUJGMM-UHFFFAOYSA-N -1 3 299.758 2.409 20 70 CEIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(OC)cc2)n1 ZINC000160510674 367012394 /nfs/dbraw/zinc/01/23/94/367012394.db2.gz OYBVFANRECDRPX-UHFFFAOYSA-N -1 3 287.363 2.385 20 70 CEIDHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000161440864 367086382 /nfs/dbraw/zinc/08/63/82/367086382.db2.gz HQEGZXGZEPHTRY-ZDUSSCGKSA-N -1 3 297.358 2.104 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CC3CCOCC3)[n-]2)o1 ZINC000160174976 162321330 /nfs/dbraw/zinc/32/13/30/162321330.db2.gz FLZXGSRSTCSIAL-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/32/61/49/162326149.db2.gz OFKCZMJHSIBCGA-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(O)c3)n[n-]2)o1 ZINC000160246233 162326150 /nfs/dbraw/zinc/32/61/50/162326150.db2.gz OFKCZMJHSIBCGA-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3C3CC3)[n-]2)o1 ZINC000160260688 162326318 /nfs/dbraw/zinc/32/63/18/162326318.db2.gz QXXIHPWSGGXUKO-VHSXEESVSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3C3CC3)n2)o1 ZINC000160260688 162326320 /nfs/dbraw/zinc/32/63/20/162326320.db2.gz QXXIHPWSGGXUKO-VHSXEESVSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3C3CC3)n[n-]2)o1 ZINC000160260688 162326324 /nfs/dbraw/zinc/32/63/24/162326324.db2.gz QXXIHPWSGGXUKO-VHSXEESVSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)n3C)[n-]2)o1 ZINC000160288338 165033480 /nfs/dbraw/zinc/03/34/80/165033480.db2.gz RSWVPHXEDYUPGT-UHFFFAOYSA-N -1 3 285.307 2.272 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)n3C)n2)o1 ZINC000160288338 165033485 /nfs/dbraw/zinc/03/34/85/165033485.db2.gz RSWVPHXEDYUPGT-UHFFFAOYSA-N -1 3 285.307 2.272 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)n3C)n[n-]2)o1 ZINC000160288338 165033489 /nfs/dbraw/zinc/03/34/89/165033489.db2.gz RSWVPHXEDYUPGT-UHFFFAOYSA-N -1 3 285.307 2.272 20 70 CEIDHM Cc1ccc(C(=O)N(C)Cc2cccn2C)c([O-])c1 ZINC000160842674 312641607 /nfs/dbraw/zinc/64/16/07/312641607.db2.gz OEYIULVKEGRUPE-UHFFFAOYSA-N -1 3 258.321 2.311 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@H]3CCCO3)[n-]2)o1 ZINC000160394521 525848743 /nfs/dbraw/zinc/84/87/43/525848743.db2.gz QWMPPRMMLZKEGH-SNVBAGLBSA-N -1 3 290.323 2.271 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@H]3CCCO3)n2)o1 ZINC000160394521 525848746 /nfs/dbraw/zinc/84/87/46/525848746.db2.gz QWMPPRMMLZKEGH-SNVBAGLBSA-N -1 3 290.323 2.271 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CC[C@H]3CCCO3)n[n-]2)o1 ZINC000160394521 525848751 /nfs/dbraw/zinc/84/87/51/525848751.db2.gz QWMPPRMMLZKEGH-SNVBAGLBSA-N -1 3 290.323 2.271 20 70 CEIDHM O=C(c1cccc([O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160392599 367002662 /nfs/dbraw/zinc/00/26/62/367002662.db2.gz XXLCUKGKVLPSFV-XJKSGUPXSA-N -1 3 275.348 2.159 20 70 CEIDHM CCc1cc(=O)[n-]c(CN2CCc3ccccc3C2)n1 ZINC000160462191 367008254 /nfs/dbraw/zinc/00/82/54/367008254.db2.gz PNLVCDDUBZZHGV-UHFFFAOYSA-N -1 3 269.348 2.303 20 70 CEIDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(O)cc1[O-] ZINC000160532604 367014010 /nfs/dbraw/zinc/01/40/10/367014010.db2.gz ZGJIRGTXLXOHFW-LLVKDONJSA-N -1 3 291.347 2.319 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000161033902 367051395 /nfs/dbraw/zinc/05/13/95/367051395.db2.gz BJYNIGQJNZMOFI-GXTWGEPZSA-N -1 3 293.388 2.047 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)c3cscn3)[n-]2)o1 ZINC000160265244 162325374 /nfs/dbraw/zinc/32/53/74/162325374.db2.gz SBZFEBPAIOZCSQ-UHFFFAOYSA-N -1 3 275.293 2.082 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cscn3)n2)o1 ZINC000160265244 162325378 /nfs/dbraw/zinc/32/53/78/162325378.db2.gz SBZFEBPAIOZCSQ-UHFFFAOYSA-N -1 3 275.293 2.082 20 70 CEIDHM CC(C)c1nc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c[nH]1 ZINC000160134857 540444958 /nfs/dbraw/zinc/44/49/58/540444958.db2.gz YTBSBEWSBWGJMA-UHFFFAOYSA-N -1 3 283.397 2.002 20 70 CEIDHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000159531659 366922632 /nfs/dbraw/zinc/92/26/32/366922632.db2.gz SFGXWEKDKPMJSZ-NEPJUHHUSA-N -1 3 291.347 2.162 20 70 CEIDHM COc1cccc(C(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[O-] ZINC000159547572 366925299 /nfs/dbraw/zinc/92/52/99/366925299.db2.gz VWYCHXLYKXLNSL-KBMXLJTQSA-N -1 3 295.338 2.469 20 70 CEIDHM O=C(Nc1ncccc1[O-])c1ccn(C2CCCC2)n1 ZINC000159563105 366927595 /nfs/dbraw/zinc/92/75/95/366927595.db2.gz XVRPFFXDALASCG-UHFFFAOYSA-N -1 3 272.308 2.351 20 70 CEIDHM CSCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160323177 366994617 /nfs/dbraw/zinc/99/46/17/366994617.db2.gz ZGDALZHSOCIOGJ-UHFFFAOYSA-N -1 3 266.326 2.065 20 70 CEIDHM CSCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160323177 366994624 /nfs/dbraw/zinc/99/46/24/366994624.db2.gz ZGDALZHSOCIOGJ-UHFFFAOYSA-N -1 3 266.326 2.065 20 70 CEIDHM CSCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160323177 366994631 /nfs/dbraw/zinc/99/46/31/366994631.db2.gz ZGDALZHSOCIOGJ-UHFFFAOYSA-N -1 3 266.326 2.065 20 70 CEIDHM COc1cc(C(=O)N2CCCCCC2)cc(OC)c1[O-] ZINC000160641932 367023948 /nfs/dbraw/zinc/02/39/48/367023948.db2.gz UCRKGUGBAIOMAC-UHFFFAOYSA-N -1 3 279.336 2.426 20 70 CEIDHM CCc1nc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC000159428652 297428840 /nfs/dbraw/zinc/42/88/40/297428840.db2.gz RGGGOLLPAHEQBC-UHFFFAOYSA-N -1 3 250.229 2.334 20 70 CEIDHM COC(=O)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000160949088 188499864 /nfs/dbraw/zinc/49/98/64/188499864.db2.gz CCFOWBJGCZSWJX-SSDOTTSWSA-N -1 3 271.700 2.183 20 70 CEIDHM CC(C)CSCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000160749897 367031531 /nfs/dbraw/zinc/03/15/31/367031531.db2.gz LGFVKPIJWFAERU-UHFFFAOYSA-N -1 3 292.408 2.467 20 70 CEIDHM COc1ccc([O-])c(C(=O)NCCc2cccc(O)c2)c1 ZINC000160135755 162322604 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ZINC000160260440 162326275 /nfs/dbraw/zinc/32/62/75/162326275.db2.gz QXXIHPWSGGXUKO-NXEZZACHSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3C3CC3)n[n-]2)o1 ZINC000160260440 162326277 /nfs/dbraw/zinc/32/62/77/162326277.db2.gz QXXIHPWSGGXUKO-NXEZZACHSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)o1 ZINC000160811252 312641986 /nfs/dbraw/zinc/64/19/86/312641986.db2.gz GMZZBGBBPNDOCH-VOTSOKGWSA-N -1 3 258.277 2.244 20 70 CEIDHM COC[C@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000160783906 188491864 /nfs/dbraw/zinc/49/18/64/188491864.db2.gz SYFMLJBZMBDYQU-LBPRGKRZSA-N -1 3 251.326 2.092 20 70 CEIDHM CC(C)CON=C([O-])Nc1cnn(CC(C)C)c1 ZINC000160633862 367023605 /nfs/dbraw/zinc/02/36/05/367023605.db2.gz MAXGTMFTZWBUGP-UHFFFAOYSA-N -1 3 254.334 2.248 20 70 CEIDHM CC(C)CO[N-]C(=O)Nc1cnn(CC(C)C)c1 ZINC000160633862 367023611 /nfs/dbraw/zinc/02/36/11/367023611.db2.gz MAXGTMFTZWBUGP-UHFFFAOYSA-N -1 3 254.334 2.248 20 70 CEIDHM CSCCCNC(=O)NCc1ccc([O-])c(F)c1 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Cc1ccc(-c2nc(NC(=O)Cc3ccc(O)cc3)n[n-]2)o1 ZINC000160220296 162324804 /nfs/dbraw/zinc/32/48/04/162324804.db2.gz ZLEMDLQFTTZMSY-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM COc1cc(C(=O)Nc2nccs2)cc(OC)c1[O-] ZINC000161124221 297442140 /nfs/dbraw/zinc/44/21/40/297442140.db2.gz DMPREFZBYIWOMZ-UHFFFAOYSA-N -1 3 280.305 2.118 20 70 CEIDHM CCc1ccc([O-])c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161418735 523998884 /nfs/dbraw/zinc/99/88/84/523998884.db2.gz VFIOBNCQPZVUPC-SNVBAGLBSA-N -1 3 287.363 2.347 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3O)[n-]2)o1 ZINC000160263963 162325978 /nfs/dbraw/zinc/32/59/78/162325978.db2.gz FPMSTZLTIMPZCY-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccccc3O)n2)o1 ZINC000160263963 162325980 /nfs/dbraw/zinc/32/59/80/162325980.db2.gz FPMSTZLTIMPZCY-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3O)n[n-]2)o1 ZINC000160263963 162325983 /nfs/dbraw/zinc/32/59/83/162325983.db2.gz FPMSTZLTIMPZCY-UHFFFAOYSA-N -1 3 298.302 2.260 20 70 CEIDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccncc2)cc1F ZINC000159528035 312632598 /nfs/dbraw/zinc/63/25/98/312632598.db2.gz YCHKHBSGJXUQDR-UHFFFAOYSA-N -1 3 298.314 2.147 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CCOC(C)C)[n-]2)o1 ZINC000160283838 366990434 /nfs/dbraw/zinc/99/04/34/366990434.db2.gz PCQMPFNJGVGMOU-UHFFFAOYSA-N -1 3 278.312 2.127 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCOC(C)C)n2)o1 ZINC000160283838 366990440 /nfs/dbraw/zinc/99/04/40/366990440.db2.gz PCQMPFNJGVGMOU-UHFFFAOYSA-N -1 3 278.312 2.127 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CCOC(C)C)n[n-]2)o1 ZINC000160283838 366990451 /nfs/dbraw/zinc/99/04/51/366990451.db2.gz PCQMPFNJGVGMOU-UHFFFAOYSA-N -1 3 278.312 2.127 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCS3)[n-]2)o1 ZINC000160383361 367001160 /nfs/dbraw/zinc/00/11/60/367001160.db2.gz XZCDDEWKISBXJT-VIFPVBQESA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCS3)n2)o1 ZINC000160383361 367001163 /nfs/dbraw/zinc/00/11/63/367001163.db2.gz XZCDDEWKISBXJT-VIFPVBQESA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCS3)n[n-]2)o1 ZINC000160383361 367001166 /nfs/dbraw/zinc/00/11/66/367001166.db2.gz XZCDDEWKISBXJT-VIFPVBQESA-N -1 3 278.337 2.207 20 70 CEIDHM Cc1ccc([O-])c(C(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000161033776 292163404 /nfs/dbraw/zinc/16/34/04/292163404.db2.gz BJYNIGQJNZMOFI-JSGCOSHPSA-N -1 3 293.388 2.047 20 70 CEIDHM COc1ncccc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160180299 162325343 /nfs/dbraw/zinc/32/53/43/162325343.db2.gz PJXATQNABRLNTO-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM COc1ncccc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160180299 162325345 /nfs/dbraw/zinc/32/53/45/162325345.db2.gz PJXATQNABRLNTO-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM COc1ncccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160180299 162325349 /nfs/dbraw/zinc/32/53/49/162325349.db2.gz PJXATQNABRLNTO-UHFFFAOYSA-N -1 3 299.290 2.029 20 70 CEIDHM O=C(N[C@H]1CCc2ccccc2C1)c1ccc(O)cc1[O-] ZINC000217489542 280209360 /nfs/dbraw/zinc/20/93/60/280209360.db2.gz YUNRUBKORJBQKE-ZDUSSCGKSA-N -1 3 283.327 2.385 20 70 CEIDHM CCc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161418587 523999073 /nfs/dbraw/zinc/99/90/73/523999073.db2.gz VFIOBNCQPZVUPC-JTQLQIEISA-N -1 3 287.363 2.347 20 70 CEIDHM Cc1cc(Cl)cc(NC(=O)[C@]2(O)CCSC2)c1[O-] ZINC000159395527 540405150 /nfs/dbraw/zinc/40/51/50/540405150.db2.gz CZXLCKANGVIRQZ-LBPRGKRZSA-N -1 3 287.768 2.161 20 70 CEIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000160145865 366976341 /nfs/dbraw/zinc/97/63/41/366976341.db2.gz HREALAKQEYRTLB-MRVPVSSYSA-N -1 3 296.348 2.037 20 70 CEIDHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000160314247 366993505 /nfs/dbraw/zinc/99/35/05/366993505.db2.gz JYFXUNMSMIVRDV-SNVBAGLBSA-N -1 3 281.327 2.210 20 70 CEIDHM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(O)cc1[O-] ZINC000160532718 367014224 /nfs/dbraw/zinc/01/42/24/367014224.db2.gz ZGJIRGTXLXOHFW-NSHDSACASA-N -1 3 291.347 2.319 20 70 CEIDHM Cc1ccc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000161015569 292061380 /nfs/dbraw/zinc/06/13/80/292061380.db2.gz ASKSVRJXOIGBTC-TZMCWYRMSA-N -1 3 293.388 2.047 20 70 CEIDHM O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(O)cc1[O-] ZINC000217489461 280209383 /nfs/dbraw/zinc/20/93/83/280209383.db2.gz YUNRUBKORJBQKE-CYBMUJFWSA-N -1 3 283.327 2.385 20 70 CEIDHM CCOC(C)(C)CNC(=O)c1ccc(C)cc1[O-] ZINC000159489037 528426828 /nfs/dbraw/zinc/42/68/28/528426828.db2.gz PRIHHDIVNFXTRT-UHFFFAOYSA-N -1 3 251.326 2.246 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@H]3CCOC3)[n-]2)o1 ZINC000160173022 366979291 /nfs/dbraw/zinc/97/92/91/366979291.db2.gz QOFWQNPNPXAMRS-JTQLQIEISA-N -1 3 290.323 2.128 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@H]3CCOC3)n2)o1 ZINC000160173022 366979295 /nfs/dbraw/zinc/97/92/95/366979295.db2.gz QOFWQNPNPXAMRS-JTQLQIEISA-N -1 3 290.323 2.128 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)CC[C@H]3CCOC3)n[n-]2)o1 ZINC000160173022 366979298 /nfs/dbraw/zinc/97/92/98/366979298.db2.gz QOFWQNPNPXAMRS-JTQLQIEISA-N -1 3 290.323 2.128 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)C3CC3)[n-]2)o1 ZINC000160444096 367005941 /nfs/dbraw/zinc/00/59/41/367005941.db2.gz YMVNWLFIGYCJCG-MRVPVSSYSA-N -1 3 260.297 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)C3CC3)n2)o1 ZINC000160444096 367005947 /nfs/dbraw/zinc/00/59/47/367005947.db2.gz YMVNWLFIGYCJCG-MRVPVSSYSA-N -1 3 260.297 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)C3CC3)n[n-]2)o1 ZINC000160444096 367005950 /nfs/dbraw/zinc/00/59/50/367005950.db2.gz YMVNWLFIGYCJCG-MRVPVSSYSA-N -1 3 260.297 2.358 20 70 CEIDHM O=C(/C=C/c1ccc2c(c1)OCO2)[N-]OCc1cccnc1 ZINC000160809702 367035664 /nfs/dbraw/zinc/03/56/64/367035664.db2.gz SBDIJFUHAAWVBC-GQCTYLIASA-N -1 3 298.298 2.072 20 70 CEIDHM CCC(CC)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160799620 367035839 /nfs/dbraw/zinc/03/58/39/367035839.db2.gz RWIVWFFZCHZYLS-UHFFFAOYSA-N -1 3 267.325 2.328 20 70 CEIDHM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])[nH]n1 ZINC000161222877 367070033 /nfs/dbraw/zinc/07/00/33/367070033.db2.gz MJBUSASTHPDFIG-SNVBAGLBSA-N -1 3 287.363 2.402 20 70 CEIDHM COc1cc(C(=O)NCc2ccccc2)cc(OC)c1[O-] ZINC000160663404 297439191 /nfs/dbraw/zinc/43/91/91/297439191.db2.gz OHTAVVVAEPLZDW-UHFFFAOYSA-N -1 3 287.315 2.339 20 70 CEIDHM COC(=O)c1ccc(NC(=O)[N-]OCC(C)C)cc1C ZINC000160052354 366968844 /nfs/dbraw/zinc/96/88/44/366968844.db2.gz URHQWASIHOKYNX-UHFFFAOYSA-N -1 3 280.324 2.491 20 70 CEIDHM CCOCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160429321 367005608 /nfs/dbraw/zinc/00/56/08/367005608.db2.gz MTCVVWLFYPHRRI-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCOCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160429321 367005616 /nfs/dbraw/zinc/00/56/16/367005616.db2.gz MTCVVWLFYPHRRI-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCOCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160429321 367005622 /nfs/dbraw/zinc/00/56/22/367005622.db2.gz MTCVVWLFYPHRRI-UHFFFAOYSA-N -1 3 278.312 2.128 20 70 CEIDHM CCc1ccc([O-])c(C(=O)NCC2(CCO)CCC2)c1 ZINC000160149686 366978408 /nfs/dbraw/zinc/97/84/08/366978408.db2.gz DLXFVCOPIWTPEH-UHFFFAOYSA-N -1 3 277.364 2.237 20 70 CEIDHM Cc1cc(C[C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])[nH]n1 ZINC000161222752 367070792 /nfs/dbraw/zinc/07/07/92/367070792.db2.gz MJBUSASTHPDFIG-JTQLQIEISA-N -1 3 287.363 2.402 20 70 CEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3C3CC3)[n-]2)o1 ZINC000160260558 162325669 /nfs/dbraw/zinc/32/56/69/162325669.db2.gz QXXIHPWSGGXUKO-ZJUUUORDSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3C3CC3)n2)o1 ZINC000160260558 162325672 /nfs/dbraw/zinc/32/56/72/162325672.db2.gz QXXIHPWSGGXUKO-ZJUUUORDSA-N -1 3 272.308 2.358 20 70 CEIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3C3CC3)n[n-]2)o1 ZINC000160260558 162325677 /nfs/dbraw/zinc/32/56/77/162325677.db2.gz QXXIHPWSGGXUKO-ZJUUUORDSA-N -1 3 272.308 2.358 20 70 CEIDHM CN(CCC(F)(F)F)C(=O)c1ccc(O)cc1[O-] ZINC000218216244 280210166 /nfs/dbraw/zinc/21/01/66/280210166.db2.gz BEJXMUQLPUQYNA-UHFFFAOYSA-N -1 3 263.215 2.122 20 70 CEIDHM CSC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160425139 367004670 /nfs/dbraw/zinc/00/46/70/367004670.db2.gz DPUCSVFDXMLWIZ-ZETCQYMHSA-N -1 3 280.353 2.311 20 70 CEIDHM CSC[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160425139 367004675 /nfs/dbraw/zinc/00/46/75/367004675.db2.gz DPUCSVFDXMLWIZ-ZETCQYMHSA-N -1 3 280.353 2.311 20 70 CEIDHM CSC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160425139 367004681 /nfs/dbraw/zinc/00/46/81/367004681.db2.gz DPUCSVFDXMLWIZ-ZETCQYMHSA-N -1 3 280.353 2.311 20 70 CEIDHM COc1cc(C(=O)N2CCCC[C@@H]2C)cc(OC)c1[O-] ZINC000160875019 367039127 /nfs/dbraw/zinc/03/91/27/367039127.db2.gz AMMZZZHIFRVYKN-JTQLQIEISA-N -1 3 279.336 2.424 20 70 CEIDHM O=C(CC1CCSCC1)Nc1ccncc1[O-] ZINC000160755563 367031536 /nfs/dbraw/zinc/03/15/36/367031536.db2.gz YLYZHHKYHAQUHR-UHFFFAOYSA-N -1 3 252.339 2.259 20 70 CEIDHM