smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCI ZINC000013605070 717108740 /nfs/dbraw/zinc/10/87/40/717108740.db2.gz JBNJYEDHSVORBB-UHFFFAOYSA-N 1 0 242.124 1.908 1 50 in-vivo BDGFRO