smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[N@H+]1CCOc3ccccc3C1)CC2 ZINC000217022540 488441524 /nfs/dbraw/zinc/44/15/24/488441524.db2.gz SPUTURUXWDJXMI-UHFFFAOYSA-N -1 2 368.437 0.900 50 70 FCIALM