smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1cc(Cl)c2c(c1)OCCO2)[N-]OCc1cccnc1 ZINC000160776243 206312410 /nfs/dbraw/zinc/31/24/10/206312410.db2.gz ZYAVYGBUCHMCKN-UHFFFAOYSA-N -1 3 334.759 2.297 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160418577 463336954 /nfs/dbraw/zinc/33/69/54/463336954.db2.gz GPFULKUMDBKEQR-UHFFFAOYSA-N -1 3 340.339 2.326 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc4c(c3)OCCO4)n2)o1 ZINC000160418577 463336958 /nfs/dbraw/zinc/33/69/58/463336958.db2.gz GPFULKUMDBKEQR-UHFFFAOYSA-N -1 3 340.339 2.326 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160418577 463336963 /nfs/dbraw/zinc/33/69/63/463336963.db2.gz GPFULKUMDBKEQR-UHFFFAOYSA-N -1 3 340.339 2.326 20 70 EEIDHM COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc(OC)c1[O-] ZINC000160893172 463379259 /nfs/dbraw/zinc/37/92/59/463379259.db2.gz ZCBOULQNKGQAFX-HNNXBMFYSA-N -1 3 344.411 2.442 20 70 EEIDHM CCc1cnc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)s1 ZINC000161282681 206339351 /nfs/dbraw/zinc/33/93/51/206339351.db2.gz HQWYGEBRTYAUCX-UHFFFAOYSA-N -1 3 348.428 2.353 20 70 EEIDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159716182 311345231 /nfs/dbraw/zinc/34/52/31/311345231.db2.gz IYYJRQNBMWFKEY-UHFFFAOYSA-N -1 3 331.397 2.421 20 70 EEIDHM Cc1c([O-])ccc2c(CSCCN3CCOCC3)cc(=O)oc12 ZINC000159931189 206271885 /nfs/dbraw/zinc/27/18/85/206271885.db2.gz GMOZNQPHFYQFJA-UHFFFAOYSA-N -1 3 335.425 2.372 20 70 EEIDHM COc1cc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)cc1OC ZINC000160214277 206285072 /nfs/dbraw/zinc/28/50/72/206285072.db2.gz OEEKPQGRRWKFMR-UHFFFAOYSA-N -1 3 329.393 2.311 20 70 EEIDHM CCOc1ccccc1N1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000160482332 311354764 /nfs/dbraw/zinc/35/47/64/311354764.db2.gz OHPODTVXGJWAJV-UHFFFAOYSA-N -1 3 342.443 2.466 20 70 EEIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000160857612 311359768 /nfs/dbraw/zinc/35/97/68/311359768.db2.gz VLGAOCKBTZSWAN-IUCAKERBSA-N -1 3 347.341 2.047 20 70 EEIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000160857612 311359769 /nfs/dbraw/zinc/35/97/69/311359769.db2.gz VLGAOCKBTZSWAN-IUCAKERBSA-N -1 3 347.341 2.047 20 70 EEIDHM COc1cc(C(=O)NCCc2cn3ccccc3n2)cc(OC)c1[O-] ZINC000161242108 311363766 /nfs/dbraw/zinc/36/37/66/311363766.db2.gz NIUHHJCLTVYQHC-UHFFFAOYSA-N -1 3 341.367 2.030 20 70 EEIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000160295877 463327020 /nfs/dbraw/zinc/32/70/20/463327020.db2.gz YXVBRISDYNGVCC-NSHDSACASA-N -1 3 340.214 2.028 20 70 EEIDHM CC(C)CC1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000159375640 206242167 /nfs/dbraw/zinc/24/21/67/206242167.db2.gz GHQGJGLDGQKZKT-SFHVURJKSA-N -1 3 343.427 2.297 20 70 EEIDHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(C(C)C)n1 ZINC000161202480 463410065 /nfs/dbraw/zinc/41/00/65/463410065.db2.gz RHQFGQQUHGIRIE-UHFFFAOYSA-N -1 3 344.462 2.338 20 70 EEIDHM Cn1nnnc1-c1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000161383463 463426355 /nfs/dbraw/zinc/42/63/55/463426355.db2.gz QYUOTHDNUOQGMJ-UHFFFAOYSA-N -1 3 343.774 2.417 20 70 EEIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000159849503 206266259 /nfs/dbraw/zinc/26/62/59/206266259.db2.gz XVXGFIXRFOPNIU-MRVPVSSYSA-N -1 3 329.809 2.249 20 70 EEIDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)O)c(Cl)c1Cl ZINC000161008262 206323684 /nfs/dbraw/zinc/32/36/84/206323684.db2.gz MVXJNWUGKMHWCJ-UHFFFAOYSA-N -1 3 328.217 2.051 20 70 EEIDHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)cc1F ZINC000159563835 463292292 /nfs/dbraw/zinc/29/22/92/463292292.db2.gz AWZBZLRKMFQZDF-AWEZNQCLSA-N -1 3 333.400 2.493 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)nc4c3cnn4C)[n-]2)o1 ZINC000160333623 463328429 /nfs/dbraw/zinc/32/84/29/463328429.db2.gz POYXNLHVNYTVPN-UHFFFAOYSA-N -1 3 337.343 2.216 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)nc4c3cnn4C)n2)o1 ZINC000160333623 463328434 /nfs/dbraw/zinc/32/84/34/463328434.db2.gz POYXNLHVNYTVPN-UHFFFAOYSA-N -1 3 337.343 2.216 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4c3cnn4C)n[n-]2)o1 ZINC000160333623 463328438 /nfs/dbraw/zinc/32/84/38/463328438.db2.gz POYXNLHVNYTVPN-UHFFFAOYSA-N -1 3 337.343 2.216 20 70 EEIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1F ZINC000161258108 463413376 /nfs/dbraw/zinc/41/33/76/463413376.db2.gz ZXRNCQCKLSHDLW-ZDUSSCGKSA-N -1 3 348.399 2.189 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000160871998 206317207 /nfs/dbraw/zinc/31/72/07/206317207.db2.gz MYTPEIOXMCRBPY-UHFFFAOYSA-N -1 3 336.436 2.234 20 70 EEIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000160809417 463372835 /nfs/dbraw/zinc/37/28/35/463372835.db2.gz YDCHXIHZACEUCA-UHFFFAOYSA-N -1 3 343.401 2.338 20 70 EEIDHM COc1cccc(OCCC[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000159574299 206252819 /nfs/dbraw/zinc/25/28/19/206252819.db2.gz ZCBODEGLMKMPJN-UHFFFAOYSA-N -1 3 340.401 2.047 20 70 EEIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000160298619 206289438 /nfs/dbraw/zinc/28/94/38/206289438.db2.gz PTGIDVUYMOBHQE-VIFPVBQESA-N -1 3 340.214 2.292 20 70 EEIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cccc2c1N=S=N2 ZINC000159758456 311345486 /nfs/dbraw/zinc/34/54/86/311345486.db2.gz REFRBYRXENOTEW-UHFFFAOYSA-N -1 3 335.410 2.384 20 70 EEIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000159849637 225290845 /nfs/dbraw/zinc/29/08/45/225290845.db2.gz XVXGFIXRFOPNIU-QMMMGPOBSA-N -1 3 329.809 2.249 20 70 EEIDHM Cc1nc(C)c(CC(=O)NCCc2csc(C(C)(C)C)n2)c(=O)[n-]1 ZINC000160712663 311357715 /nfs/dbraw/zinc/35/77/15/311357715.db2.gz CKHYCHHJTMZQDX-UHFFFAOYSA-N -1 3 348.472 2.042 20 70 EEIDHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000159595484 463293540 /nfs/dbraw/zinc/29/35/40/463293540.db2.gz ZPXUVZPHGPGFPI-CYBMUJFWSA-N -1 3 337.445 2.006 20 70 EEIDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)s1 ZINC000159672476 463299211 /nfs/dbraw/zinc/29/92/11/463299211.db2.gz LMAFZMLRVJEMLS-GHMZBOCLSA-N -1 3 330.475 2.099 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)[n-]2)o1 ZINC000160179635 463321114 /nfs/dbraw/zinc/32/11/14/463321114.db2.gz PDXRLAHNMNTKJK-UHFFFAOYSA-N -1 3 326.312 2.283 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc4c(c3)OCO4)n2)o1 ZINC000160179635 463321119 /nfs/dbraw/zinc/32/11/19/463321119.db2.gz PDXRLAHNMNTKJK-UHFFFAOYSA-N -1 3 326.312 2.283 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc4c(c3)OCO4)n[n-]2)o1 ZINC000160179635 463321123 /nfs/dbraw/zinc/32/11/23/463321123.db2.gz PDXRLAHNMNTKJK-UHFFFAOYSA-N -1 3 326.312 2.283 20 70 EEIDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000160074370 225331311 /nfs/dbraw/zinc/33/13/11/225331311.db2.gz OIPKBQYBFWAQTN-GJZGRUSLSA-N -1 3 344.436 2.412 20 70 EEIDHM CCC[C@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000160376663 528375566 /nfs/dbraw/zinc/37/55/66/528375566.db2.gz LBJDZNGKNDAJCM-DJJJIMSYSA-N -1 3 343.427 2.394 20 70 EEIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000160298745 529398655 /nfs/dbraw/zinc/39/86/55/529398655.db2.gz 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ZINC000160435381 463338819 /nfs/dbraw/zinc/33/88/19/463338819.db2.gz JPDFVTDOYCDDKC-UHFFFAOYSA-N -1 3 343.343 2.115 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)c3ccco3)n2)o1 ZINC000160435381 463338823 /nfs/dbraw/zinc/33/88/23/463338823.db2.gz JPDFVTDOYCDDKC-UHFFFAOYSA-N -1 3 343.343 2.115 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccco3)n[n-]2)o1 ZINC000160435381 463338830 /nfs/dbraw/zinc/33/88/30/463338830.db2.gz JPDFVTDOYCDDKC-UHFFFAOYSA-N -1 3 343.343 2.115 20 70 EEIDHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000160724727 463365761 /nfs/dbraw/zinc/36/57/61/463365761.db2.gz CEKNSNFDMOAOBG-ZDUSSCGKSA-N -1 3 342.395 2.182 20 70 EEIDHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000161004791 463390479 /nfs/dbraw/zinc/39/04/79/463390479.db2.gz TXZLZHOSHWLFIT-KGLIPLIRSA-N -1 3 334.464 2.261 20 70 EEIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000160340890 529378424 /nfs/dbraw/zinc/37/84/24/529378424.db2.gz FSLXFMYJMYDHNS-LBPRGKRZSA-N -1 3 342.244 2.441 20 70 EEIDHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC(=O)OC(C)C)c[n-]c12 ZINC000159949091 463311075 /nfs/dbraw/zinc/31/10/75/463311075.db2.gz DDACNEWUVHOFIJ-UHFFFAOYSA-N -1 3 334.347 2.047 20 70 EEIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000160309041 529378450 /nfs/dbraw/zinc/37/84/50/529378450.db2.gz LFDQCSBKBLYCPY-NSHDSACASA-N -1 3 329.315 2.284 20 70 EEIDHM CC(C)CC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000159375507 527694553 /nfs/dbraw/zinc/69/45/53/527694553.db2.gz GHQGJGLDGQKZKT-GOSISDBHSA-N -1 3 343.427 2.297 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)CCc3nc(C(C)C)no3)[n-]2)o1 ZINC000160234915 534225381 /nfs/dbraw/zinc/22/53/81/534225381.db2.gz QNQIIUYRLPQUAX-UHFFFAOYSA-N -1 3 330.348 2.451 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nc(C(C)C)no3)n2)o1 ZINC000160234915 534225382 /nfs/dbraw/zinc/22/53/82/534225382.db2.gz QNQIIUYRLPQUAX-UHFFFAOYSA-N -1 3 330.348 2.451 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)CCc3nc(C(C)C)no3)n[n-]2)o1 ZINC000160234915 534225383 /nfs/dbraw/zinc/22/53/83/534225383.db2.gz QNQIIUYRLPQUAX-UHFFFAOYSA-N -1 3 330.348 2.451 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)c3cn(CCC(C)C)nn3)[n-]2)o1 ZINC000160313341 463327086 /nfs/dbraw/zinc/32/70/86/463327086.db2.gz ZHRJFPYKYJLMTJ-UHFFFAOYSA-N -1 3 329.364 2.263 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn(CCC(C)C)nn3)n2)o1 ZINC000160313341 463327089 /nfs/dbraw/zinc/32/70/89/463327089.db2.gz ZHRJFPYKYJLMTJ-UHFFFAOYSA-N -1 3 329.364 2.263 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)[n-]2)o1 ZINC000160363738 463331234 /nfs/dbraw/zinc/33/12/34/463331234.db2.gz RYQZWIJBSXHEMX-ZDUSSCGKSA-N -1 3 326.312 2.152 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3COc4ccccc4O3)n2)o1 ZINC000160363738 463331238 /nfs/dbraw/zinc/33/12/38/463331238.db2.gz RYQZWIJBSXHEMX-ZDUSSCGKSA-N -1 3 326.312 2.152 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccccc4O3)n[n-]2)o1 ZINC000160363738 463331242 /nfs/dbraw/zinc/33/12/42/463331242.db2.gz RYQZWIJBSXHEMX-ZDUSSCGKSA-N -1 3 326.312 2.152 20 70 EEIDHM O=C(CCc1nc(-c2ccsc2)no1)[N-]OCc1cccnc1 ZINC000160842231 463376193 /nfs/dbraw/zinc/37/61/93/463376193.db2.gz MQEAYDOZYBUCAP-UHFFFAOYSA-N -1 3 330.369 2.374 20 70 EEIDHM CCOC(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160250062 528980640 /nfs/dbraw/zinc/98/06/40/528980640.db2.gz MUXDZBCTZDTXIX-NSHDSACASA-N -1 3 347.375 2.180 20 70 EEIDHM CCOC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000160250062 528980645 /nfs/dbraw/zinc/98/06/45/528980645.db2.gz MUXDZBCTZDTXIX-NSHDSACASA-N -1 3 347.375 2.180 20 70 EEIDHM CCOC(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000160250062 528980648 /nfs/dbraw/zinc/98/06/48/528980648.db2.gz MUXDZBCTZDTXIX-NSHDSACASA-N -1 3 347.375 2.180 20 70 EEIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000160308782 529377906 /nfs/dbraw/zinc/37/79/06/529377906.db2.gz JFXFUAJDWJVHKJ-NSHDSACASA-N -1 3 329.315 2.284 20 70 EEIDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](C)CO)s2)cs1 ZINC000159707647 225263284 /nfs/dbraw/zinc/26/32/84/225263284.db2.gz 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Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)OC[C@H]3CCCCO3)n2)o1 ZINC000160439930 206297184 /nfs/dbraw/zinc/29/71/84/206297184.db2.gz KDBOJBBZKVSRRB-NWDGAFQWSA-N -1 3 334.376 2.286 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)OC[C@H]3CCCCO3)n[n-]2)o1 ZINC000160439930 206297186 /nfs/dbraw/zinc/29/71/86/206297186.db2.gz KDBOJBBZKVSRRB-NWDGAFQWSA-N -1 3 334.376 2.286 20 70 EEIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@]4(CCOC4)C3)c[n-]c12 ZINC000159431043 463285856 /nfs/dbraw/zinc/28/58/56/463285856.db2.gz CURNBQBOJSDBBY-SFHVURJKSA-N -1 3 330.359 2.228 20 70 EEIDHM O=C(NCCc1cc2ccccc2[nH]1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000159705282 463300252 /nfs/dbraw/zinc/30/02/52/463300252.db2.gz FHZKEEAISAYALF-UHFFFAOYSA-N -1 3 333.347 2.024 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)CCNC(=O)c3cccs3)[n-]2)o1 ZINC000160287614 463325877 /nfs/dbraw/zinc/32/58/77/463325877.db2.gz SSSFOUMMWNNOKR-UHFFFAOYSA-N -1 3 345.384 2.193 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCNC(=O)c3cccs3)n2)o1 ZINC000160287614 463325880 /nfs/dbraw/zinc/32/58/80/463325880.db2.gz SSSFOUMMWNNOKR-UHFFFAOYSA-N -1 3 345.384 2.193 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)CCNC(=O)c3cccs3)n[n-]2)o1 ZINC000160287614 463325883 /nfs/dbraw/zinc/32/58/83/463325883.db2.gz SSSFOUMMWNNOKR-UHFFFAOYSA-N -1 3 345.384 2.193 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc4c3OCCO4)[n-]2)o1 ZINC000160301402 463326717 /nfs/dbraw/zinc/32/67/17/463326717.db2.gz WNLQPMDNKDHZMZ-UHFFFAOYSA-N -1 3 326.312 2.397 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc4c3OCCO4)n2)o1 ZINC000160301402 463326723 /nfs/dbraw/zinc/32/67/23/463326723.db2.gz WNLQPMDNKDHZMZ-UHFFFAOYSA-N -1 3 326.312 2.397 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)c3cccc4c3OCCO4)n[n-]2)o1 ZINC000160301402 463326725 /nfs/dbraw/zinc/32/67/25/463326725.db2.gz WNLQPMDNKDHZMZ-UHFFFAOYSA-N -1 3 326.312 2.397 20 70 EEIDHM O=S(=O)([N-]CCSCCCO)c1cc(Cl)cc(Cl)c1 ZINC000161324491 463421090 /nfs/dbraw/zinc/42/10/90/463421090.db2.gz YSICDCHZXBNTSJ-UHFFFAOYSA-N -1 3 344.285 2.387 20 70 EEIDHM CC(C)[C@@H]1CCCCN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161056285 206325513 /nfs/dbraw/zinc/32/55/13/206325513.db2.gz ABEDHFHYARCDOH-HNAYVOBHSA-N -1 3 343.427 2.392 20 70 EEIDHM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000161469870 206349181 /nfs/dbraw/zinc/34/91/81/206349181.db2.gz BGWTXSSVTAYBSB-NSHDSACASA-N -1 3 348.852 2.061 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)[n-]2)o1 ZINC000160219978 463323946 /nfs/dbraw/zinc/32/39/46/463323946.db2.gz WRVBSPRQXWLRMJ-ZDUSSCGKSA-N -1 3 338.323 2.093 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)o1 ZINC000160219978 463323949 /nfs/dbraw/zinc/32/39/49/463323949.db2.gz WRVBSPRQXWLRMJ-ZDUSSCGKSA-N -1 3 338.323 2.093 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n[n-]2)o1 ZINC000160219978 463323952 /nfs/dbraw/zinc/32/39/52/463323952.db2.gz WRVBSPRQXWLRMJ-ZDUSSCGKSA-N -1 3 338.323 2.093 20 70 EEIDHM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(N)=O ZINC000161219850 463411868 /nfs/dbraw/zinc/41/18/68/463411868.db2.gz JRSBZXMXJFEXOB-UHFFFAOYSA-N -1 3 339.244 2.316 20 70 EEIDHM Cc1nc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)cn1C ZINC000159797404 206264446 /nfs/dbraw/zinc/26/44/46/206264446.db2.gz VOWVBKPIEPCAKU-GDBMZVCRSA-N -1 3 349.456 2.175 20 70 EEIDHM Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000161362973 539527540 /nfs/dbraw/zinc/52/75/40/539527540.db2.gz BKCHLEYFAAVDPW-UHFFFAOYSA-N -1 3 340.383 2.086 20 70 EEIDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000160074232 206277207 /nfs/dbraw/zinc/27/72/07/206277207.db2.gz OIPKBQYBFWAQTN-CABCVRRESA-N -1 3 344.436 2.412 20 70 EEIDHM CC(C)[C@H]1CCCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000161056634 206325338 /nfs/dbraw/zinc/32/53/38/206325338.db2.gz ABEDHFHYARCDOH-BEFAXECRSA-N -1 3 343.427 2.392 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)[n-]2)o1 ZINC000160363863 463332035 /nfs/dbraw/zinc/33/20/35/463332035.db2.gz RYQZWIJBSXHEMX-CYBMUJFWSA-N -1 3 326.312 2.152 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3COc4ccccc4O3)n2)o1 ZINC000160363863 463332038 /nfs/dbraw/zinc/33/20/38/463332038.db2.gz RYQZWIJBSXHEMX-CYBMUJFWSA-N -1 3 326.312 2.152 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4O3)n[n-]2)o1 ZINC000160363863 463332042 /nfs/dbraw/zinc/33/20/42/463332042.db2.gz RYQZWIJBSXHEMX-CYBMUJFWSA-N -1 3 326.312 2.152 20 70 EEIDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000159779312 533241684 /nfs/dbraw/zinc/24/16/84/533241684.db2.gz IOCYXPQDAXZOGG-ZFWWWQNUSA-N -1 3 327.446 2.297 20 70 EEIDHM Cn1nccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000161179264 311363337 /nfs/dbraw/zinc/36/33/37/311363337.db2.gz XVXLRZSZDKMPFW-UHFFFAOYSA-N -1 3 338.396 2.135 20 70 EEIDHM O=C(CCNC(=O)NCc1ccc([O-])c(F)c1)Nc1ccccc1 ZINC000159890700 463309550 /nfs/dbraw/zinc/30/95/50/463309550.db2.gz SNZCCDMYAVNFKQ-UHFFFAOYSA-N -1 3 331.347 2.359 20 70 EEIDHM Cc1nc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)cn1C ZINC000159797190 206263385 /nfs/dbraw/zinc/26/33/85/206263385.db2.gz VOWVBKPIEPCAKU-GOEBONIOSA-N -1 3 349.456 2.175 20 70 EEIDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000161469768 206350339 /nfs/dbraw/zinc/35/03/39/206350339.db2.gz BGWTXSSVTAYBSB-LLVKDONJSA-N -1 3 348.852 2.061 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)COCCOc3ccccc3)[n-]2)o1 ZINC000160303295 463327374 /nfs/dbraw/zinc/32/73/74/463327374.db2.gz OSVHRPQMWYOUAH-UHFFFAOYSA-N -1 3 342.355 2.407 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)COCCOc3ccccc3)n2)o1 ZINC000160303295 463327379 /nfs/dbraw/zinc/32/73/79/463327379.db2.gz OSVHRPQMWYOUAH-UHFFFAOYSA-N -1 3 342.355 2.407 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)COCCOc3ccccc3)n[n-]2)o1 ZINC000160303295 463327384 /nfs/dbraw/zinc/32/73/84/463327384.db2.gz OSVHRPQMWYOUAH-UHFFFAOYSA-N -1 3 342.355 2.407 20 70 EEIDHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1ccccc1F ZINC000159775099 311346054 /nfs/dbraw/zinc/34/60/54/311346054.db2.gz ICRVHTSPBNSYAL-UHFFFAOYSA-N -1 3 336.388 2.488 20 70 EEIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(Cn2ccnn2)CC1 ZINC000159533374 463291206 /nfs/dbraw/zinc/29/12/06/463291206.db2.gz VYVOCRBHMOFMLD-UHFFFAOYSA-N -1 3 334.807 2.118 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)c3ccnc(-n4cccn4)c3)[n-]2)o1 ZINC000160387254 463333260 /nfs/dbraw/zinc/33/32/60/463333260.db2.gz SRIZIKGRIGVFFM-UHFFFAOYSA-N -1 3 335.327 2.206 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc(-n4cccn4)c3)n2)o1 ZINC000160387254 463333267 /nfs/dbraw/zinc/33/32/67/463333267.db2.gz SRIZIKGRIGVFFM-UHFFFAOYSA-N -1 3 335.327 2.206 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)c3ccnc(-n4cccn4)c3)n[n-]2)o1 ZINC000160387254 463333273 /nfs/dbraw/zinc/33/32/73/463333273.db2.gz SRIZIKGRIGVFFM-UHFFFAOYSA-N -1 3 335.327 2.206 20 70 EEIDHM Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC000159557017 225240174 /nfs/dbraw/zinc/24/01/74/225240174.db2.gz YHPNHAZGYBMTFJ-CMDGGOBGSA-N -1 3 340.379 2.291 20 70 EEIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000160839754 463375908 /nfs/dbraw/zinc/37/59/08/463375908.db2.gz MTWKOXZFEDATGX-UHFFFAOYSA-N -1 3 343.401 2.338 20 70 EEIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000160339391 529378071 /nfs/dbraw/zinc/37/80/71/529378071.db2.gz NHEOODOIUSBIGM-LBPRGKRZSA-N -1 3 342.244 2.441 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)CN(C)Cc3ccccc3)[n-]2)o1 ZINC000160162450 463320939 /nfs/dbraw/zinc/32/09/39/463320939.db2.gz UGOLJMZJDKJDLE-UHFFFAOYSA-N -1 3 325.372 2.444 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)CN(C)Cc3ccccc3)n2)o1 ZINC000160162450 463320945 /nfs/dbraw/zinc/32/09/45/463320945.db2.gz UGOLJMZJDKJDLE-UHFFFAOYSA-N -1 3 325.372 2.444 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)CN(C)Cc3ccccc3)n[n-]2)o1 ZINC000160162450 463320949 /nfs/dbraw/zinc/32/09/49/463320949.db2.gz UGOLJMZJDKJDLE-UHFFFAOYSA-N -1 3 325.372 2.444 20 70 EEIDHM CO[C@@H](C)c1noc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)n1 ZINC000160310423 463327181 /nfs/dbraw/zinc/32/71/81/463327181.db2.gz CSERGWMVXQEGCT-VIFPVBQESA-N -1 3 346.347 2.035 20 70 EEIDHM CO[C@@H](C)c1noc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)n1 ZINC000160310423 463327183 /nfs/dbraw/zinc/32/71/83/463327183.db2.gz CSERGWMVXQEGCT-VIFPVBQESA-N -1 3 346.347 2.035 20 70 EEIDHM CO[C@@H](C)c1noc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)n1 ZINC000160310423 463327188 /nfs/dbraw/zinc/32/71/88/463327188.db2.gz CSERGWMVXQEGCT-VIFPVBQESA-N -1 3 346.347 2.035 20 70 EEIDHM CCCC1(CNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000160564324 463350543 /nfs/dbraw/zinc/35/05/43/463350543.db2.gz WCRCLBCWCYJNMJ-KRWDZBQOSA-N -1 3 329.400 2.051 20 70 EEIDHM COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc(OC)c1[O-] ZINC000160893303 463380921 /nfs/dbraw/zinc/38/09/21/463380921.db2.gz ZCBOULQNKGQAFX-OAHLLOKOSA-N -1 3 344.411 2.442 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCN(CCc3ccccc3)CC2)n1 ZINC000160609785 463355475 /nfs/dbraw/zinc/35/54/75/463355475.db2.gz LCRKTQSMHBLDCA-UHFFFAOYSA-N -1 3 326.444 2.105 20 70 EEIDHM COc1ccsc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(C)cc1 ZINC000159415525 533101446 /nfs/dbraw/zinc/10/14/46/533101446.db2.gz QFADPTKJRLZKKM-GFCCVEGCSA-N -1 3 327.427 2.077 20 70 EEIDHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)[C@@H]1CCn2ccnc2C1 ZINC000161333750 275001768 /nfs/dbraw/zinc/00/17/68/275001768.db2.gz TXIMIAOSHJYKPV-SNVBAGLBSA-N -1 3 326.335 2.008 20 70 EEIDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2(C)CCOCC2)c1 ZINC000161063403 463396147 /nfs/dbraw/zinc/39/61/47/463396147.db2.gz YOAGZPNZUNBCHF-UHFFFAOYSA-N -1 3 331.821 2.390 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCN(c3cccc(OC)c3)CC2)n1 ZINC000160523697 255798584 /nfs/dbraw/zinc/79/85/84/255798584.db2.gz OIZQPRBSTUWTEU-UHFFFAOYSA-N -1 3 328.416 2.075 20 70 EEIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(Cc2ccccn2)CC1 ZINC000160069373 463317302 /nfs/dbraw/zinc/31/73/02/463317302.db2.gz JMNNFLANAJKXOX-UHFFFAOYSA-N -1 3 345.830 2.328 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000160838591 463374588 /nfs/dbraw/zinc/37/45/88/463374588.db2.gz UXELHCDYXHBEKK-AWEZNQCLSA-N -1 3 346.475 2.215 20 70 EEIDHM COc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)O)cc1Cl ZINC000161007900 463390538 /nfs/dbraw/zinc/39/05/38/463390538.db2.gz ZGOKUTAOVIWOQP-UHFFFAOYSA-N -1 3 328.217 2.051 20 70 EEIDHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000159779462 534244176 /nfs/dbraw/zinc/24/41/76/534244176.db2.gz IOCYXPQDAXZOGG-DZGCQCFKSA-N -1 3 327.446 2.297 20 70 EEIDHM COc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1[O-] ZINC000161096505 311362310 /nfs/dbraw/zinc/36/23/10/311362310.db2.gz COUAYJKVMPYWPJ-UHFFFAOYSA-N -1 3 341.367 2.258 20 70 EEIDHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000159779058 533241785 /nfs/dbraw/zinc/24/17/85/533241785.db2.gz IOCYXPQDAXZOGG-HIFRSBDPSA-N -1 3 327.446 2.297 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCN(Cc3cccc(C)c3)CC2)n1 ZINC000160549571 311355793 /nfs/dbraw/zinc/35/57/93/311355793.db2.gz PEZIJZRZIDJFCP-UHFFFAOYSA-N -1 3 326.444 2.371 20 70 EEIDHM CC(C)CN(CC(C)C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160449425 463339605 /nfs/dbraw/zinc/33/96/05/463339605.db2.gz LUKKMKKGFNVEME-LJQANCHMSA-N -1 3 345.443 2.495 20 70 EEIDHM CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000161270293 463414736 /nfs/dbraw/zinc/41/47/36/463414736.db2.gz JRUBDXXADUDQQO-UHFFFAOYSA-N -1 3 348.378 2.029 20 70 EEIDHM Cc1ccc(-c2[nH]nc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)c2C)o1 ZINC000161422314 463430187 /nfs/dbraw/zinc/43/01/87/463430187.db2.gz UXUNPTBLZOYEKI-UHFFFAOYSA-N -1 3 341.371 2.168 20 70 EEIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000159903039 225300444 /nfs/dbraw/zinc/30/04/44/225300444.db2.gz HEGYVUAAGHYWMD-MRVPVSSYSA-N -1 3 330.356 2.479 20 70 EEIDHM CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(F)c1 ZINC000160544624 311355801 /nfs/dbraw/zinc/35/58/01/311355801.db2.gz CPJHPHGVAQNJSD-UHFFFAOYSA-N -1 3 326.335 2.324 20 70 EEIDHM CN(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(F)c1 ZINC000160544624 311355804 /nfs/dbraw/zinc/35/58/04/311355804.db2.gz CPJHPHGVAQNJSD-UHFFFAOYSA-N -1 3 326.335 2.324 20 70 EEIDHM CN(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(F)c1 ZINC000160544624 311355806 /nfs/dbraw/zinc/35/58/06/311355806.db2.gz CPJHPHGVAQNJSD-UHFFFAOYSA-N -1 3 326.335 2.324 20 70 EEIDHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000159496067 225228988 /nfs/dbraw/zinc/22/89/88/225228988.db2.gz OYVAYGZLEIZOCY-OAHLLOKOSA-N -1 3 339.388 2.155 20 70 EEIDHM O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160317593 463329217 /nfs/dbraw/zinc/32/92/17/463329217.db2.gz BXPORBQBIZWCDW-UHFFFAOYSA-N -1 3 349.390 2.472 20 70 EEIDHM O=C(CC[C@H]1Cc2ccccc2NC1=O)[N-]OCc1cccnc1 ZINC000160800629 463372103 /nfs/dbraw/zinc/37/21/03/463372103.db2.gz YNIOYEXBQRYIFS-HNNXBMFYSA-N -1 3 325.368 2.221 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)NC(=O)C3CCCC3)[n-]2)o1 ZINC000160247086 534225577 /nfs/dbraw/zinc/22/55/77/534225577.db2.gz OMJHHJMVKHPVEI-JTQLQIEISA-N -1 3 345.403 2.397 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)NC(=O)C3CCCC3)n2)o1 ZINC000160247086 534225581 /nfs/dbraw/zinc/22/55/81/534225581.db2.gz OMJHHJMVKHPVEI-JTQLQIEISA-N -1 3 345.403 2.397 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)NC(=O)C3CCCC3)n[n-]2)o1 ZINC000160247086 534225586 /nfs/dbraw/zinc/22/55/86/534225586.db2.gz OMJHHJMVKHPVEI-JTQLQIEISA-N -1 3 345.403 2.397 20 70 EEIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000160339541 529512595 /nfs/dbraw/zinc/51/25/95/529512595.db2.gz NHEOODOIUSBIGM-GFCCVEGCSA-N -1 3 342.244 2.441 20 70 EEIDHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000159495929 533137008 /nfs/dbraw/zinc/13/70/08/533137008.db2.gz OYVAYGZLEIZOCY-HNNXBMFYSA-N -1 3 339.388 2.155 20 70 EEIDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)s1 ZINC000159672302 463298377 /nfs/dbraw/zinc/29/83/77/463298377.db2.gz LMAFZMLRVJEMLS-MNOVXSKESA-N -1 3 330.475 2.099 20 70 EEIDHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000160724577 463366189 /nfs/dbraw/zinc/36/61/89/463366189.db2.gz CEKNSNFDMOAOBG-CYBMUJFWSA-N -1 3 342.395 2.182 20 70 EEIDHM Cc1nccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1Cl ZINC000159970728 539519774 /nfs/dbraw/zinc/51/97/74/539519774.db2.gz NTTZHJBRYHYGDP-UHFFFAOYSA-N -1 3 348.790 2.301 20 70 EEIDHM 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CCCC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCC1 ZINC000160518469 463345875 /nfs/dbraw/zinc/34/58/75/463345875.db2.gz RVEYEXPZJSRGGN-GOSISDBHSA-N -1 3 343.427 2.441 20 70 EEIDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000160074619 534486966 /nfs/dbraw/zinc/48/69/66/534486966.db2.gz OIPKBQYBFWAQTN-LSDHHAIUSA-N -1 3 344.436 2.412 20 70 EEIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000160206692 528975384 /nfs/dbraw/zinc/97/53/84/528975384.db2.gz ULCQZACCQBHQTI-UHFFFAOYSA-N -1 3 333.837 2.372 20 70 EEIDHM O=C(NCCNC(=O)c1cccc(Cl)c1F)c1ccc([O-])cc1 ZINC000159636174 463296442 /nfs/dbraw/zinc/29/64/42/463296442.db2.gz HSLBOLAMADKWCW-UHFFFAOYSA-N -1 3 336.750 2.345 20 70 EEIDHM O=S(=O)([N-]CCSCCCO)c1ccc(Cl)c(Cl)c1 ZINC000161336266 463421968 /nfs/dbraw/zinc/42/19/68/463421968.db2.gz GXTIHYJIFPUKIH-UHFFFAOYSA-N -1 3 344.285 2.387 20 70 EEIDHM CCCC(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160321091 463328757 /nfs/dbraw/zinc/32/87/57/463328757.db2.gz 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/nfs/dbraw/zinc/33/67/52/463336752.db2.gz PQUJKMJLBILBSU-UHFFFAOYSA-N -1 3 346.368 2.029 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)n[n-]2)o1 ZINC000160419145 463336759 /nfs/dbraw/zinc/33/67/59/463336759.db2.gz PQUJKMJLBILBSU-UHFFFAOYSA-N -1 3 346.368 2.029 20 70 EEIDHM CCc1cc(=O)[n-]c(CN2CCC(NC(=O)c3ccccc3)CC2)n1 ZINC000160616992 463354696 /nfs/dbraw/zinc/35/46/96/463354696.db2.gz WKCMTOUTHVRKSH-UHFFFAOYSA-N -1 3 340.427 2.139 20 70 EEIDHM Cc1ccc(-c2nnc(NC(=O)C3CCN(C(=O)C(C)C)CC3)[n-]2)o1 ZINC000160220391 534224880 /nfs/dbraw/zinc/22/48/80/534224880.db2.gz KXOBZAGCZMOBCR-UHFFFAOYSA-N -1 3 345.403 2.206 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)o1 ZINC000160220391 534224884 /nfs/dbraw/zinc/22/48/84/534224884.db2.gz KXOBZAGCZMOBCR-UHFFFAOYSA-N -1 3 345.403 2.206 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n[n-]2)o1 ZINC000160220391 534224886 /nfs/dbraw/zinc/22/48/86/534224886.db2.gz KXOBZAGCZMOBCR-UHFFFAOYSA-N -1 3 345.403 2.206 20 70 EEIDHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cc(F)c(F)c(F)c1 ZINC000160976783 463387121 /nfs/dbraw/zinc/38/71/21/463387121.db2.gz GZQNEEQWNRSYLY-UHFFFAOYSA-N -1 3 337.363 2.468 20 70 EEIDHM CS(=O)(=O)[N-]c1cc(C(=O)NCC2(C3CC3)CC2)ccc1F ZINC000159962332 533418047 /nfs/dbraw/zinc/41/80/47/533418047.db2.gz NHOIEFQIEAHQFY-UHFFFAOYSA-N -1 3 326.393 2.117 20 70 EEIDHM CCCCCNC(=O)C1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000160842802 311359317 /nfs/dbraw/zinc/35/93/17/311359317.db2.gz TVOLXINYVWQZGT-UHFFFAOYSA-N -1 3 334.464 2.263 20 70 EEIDHM Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)o1 ZINC000160404998 463335917 /nfs/dbraw/zinc/33/59/17/463335917.db2.gz NFPPIJCPRFVQBZ-CMDGGOBGSA-N -1 3 340.379 2.291 20 70 EEIDHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160432325 463338550 /nfs/dbraw/zinc/33/85/50/463338550.db2.gz URQOBYSSSSBGLE-UHFFFAOYSA-N -1 3 326.312 2.412 20 70 EEIDHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160432325 463338552 /nfs/dbraw/zinc/33/85/52/463338552.db2.gz 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335.364 2.225 20 70 EEIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n2)o1 ZINC000160200252 534225397 /nfs/dbraw/zinc/22/53/97/534225397.db2.gz IRCQTNXUEMIVEV-SECBINFHSA-N -1 3 335.364 2.225 20 70 EEIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n[n-]2)o1 ZINC000160200252 534225399 /nfs/dbraw/zinc/22/53/99/534225399.db2.gz IRCQTNXUEMIVEV-SECBINFHSA-N -1 3 335.364 2.225 20 70 EEIDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000160167943 206281847 /nfs/dbraw/zinc/28/18/47/206281847.db2.gz XIXVPHGNKVYTIT-MRVPVSSYSA-N -1 3 329.809 2.127 20 70 EEIDHM Cc1cccc2c1[n-]cc(C(=O)NCc1ccc(C(N)=O)cc1)c2=O ZINC000161114340 463400798 /nfs/dbraw/zinc/40/07/98/463400798.db2.gz KAWRFBCFNXQSRV-UHFFFAOYSA-N -1 3 335.363 2.278 20 70 EEIDHM CCC(CC)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000161218177 463410835 /nfs/dbraw/zinc/41/08/35/463410835.db2.gz PNIVZJNZWDCMHJ-UHFFFAOYSA-N -1 3 339.244 2.316 20 70 EEIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000159865197 206267669 /nfs/dbraw/zinc/26/76/69/206267669.db2.gz RWPGBBOCRWZWCH-MRVPVSSYSA-N -1 3 330.356 2.479 20 70 EEIDHM CCCC1(CNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000160564204 206303031 /nfs/dbraw/zinc/30/30/31/206303031.db2.gz WCRCLBCWCYJNMJ-QGZVFWFLSA-N -1 3 329.400 2.051 20 70 EEIDHM CC(C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000161007564 206322357 /nfs/dbraw/zinc/32/23/57/206322357.db2.gz MYKCTENPVKBSGG-UHFFFAOYSA-N -1 3 342.642 2.152 20 70 EEIDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159540959 311342526 /nfs/dbraw/zinc/34/25/26/311342526.db2.gz FOMAIOAQUQPSEP-UHFFFAOYSA-N -1 3 340.788 2.000 20 70 EEIDHM CC(C)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000159797160 529040334 /nfs/dbraw/zinc/04/03/34/529040334.db2.gz HDASDEFCJYDPNI-UHFFFAOYSA-N -1 3 327.222 2.321 20 70 EEIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000159405477 539515707 /nfs/dbraw/zinc/51/57/07/539515707.db2.gz GBPYXSNPAJTQGL-HNNXBMFYSA-N -1 3 349.406 2.264 20 70 EEIDHM Cc1nc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1C ZINC000159797056 206263197 /nfs/dbraw/zinc/26/31/97/206263197.db2.gz VOWVBKPIEPCAKU-HOCLYGCPSA-N -1 3 349.456 2.175 20 70 EEIDHM CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000161004537 463390658 /nfs/dbraw/zinc/39/06/58/463390658.db2.gz TXZLZHOSHWLFIT-KBPBESRZSA-N -1 3 334.464 2.261 20 70 EEIDHM Cc1cccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1F ZINC000160064417 206277325 /nfs/dbraw/zinc/27/73/25/206277325.db2.gz CUACXGINTNBUET-UHFFFAOYSA-N -1 3 342.370 2.438 20 70 EEIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000160308907 206290265 /nfs/dbraw/zinc/29/02/65/206290265.db2.gz JFXFUAJDWJVHKJ-LLVKDONJSA-N -1 3 329.315 2.284 20 70 EEIDHM COc1cc(C(=O)NCCCn2nc(C)cc2C)cc(OC)c1[O-] ZINC000160940426 206319172 /nfs/dbraw/zinc/31/91/72/206319172.db2.gz AEJXRNYVSFVBCY-UHFFFAOYSA-N -1 3 333.388 2.043 20 70 EEIDHM CCN(CC)C(=O)CCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160264351 206288132 /nfs/dbraw/zinc/28/81/32/206288132.db2.gz 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