smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)n1 ZINC000218236996 557183756 /nfs/dbraw/zinc/18/37/56/557183756.db2.gz CTHXLCLJRDMOPK-UHFFFAOYSA-N 1 2 432.524 3.682 50 70 IHIALO CC(C)Cc1[nH]c2ccc(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc2[nH+]1 ZINC000218206882 557182080 /nfs/dbraw/zinc/18/20/80/557182080.db2.gz ARRFOOSHCCAQDO-IBGZPJMESA-N 1 2 433.512 3.601 50 70 IHIALO