smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2ccccc2NC1=O ZINC000217677671 416327664 /nfs/dbraw/zinc/32/76/64/416327664.db2.gz DCRBRVDUGWUHLR-LKQDWFRTSA-N 1 1 311.341 0.543 40 70 DCIBMO COC(=O)Cc1c(C)nc(SC)nc1N1CC[NH+](C)CC1 ZINC000216845752 416327370 /nfs/dbraw/zinc/32/73/70/416327370.db2.gz SWNMIXAEEKRJRU-UHFFFAOYSA-N 1 1 310.423 0.974 40 70 DCIBMO C[NH+]1CCN(C(=O)Cc2noc(COc3ccccc3)n2)CC1 ZINC000216845159 416327521 /nfs/dbraw/zinc/32/75/21/416327521.db2.gz MSRIVUAYGAQGND-UHFFFAOYSA-N 1 1 316.361 0.965 40 70 DCIBMO