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)Cn1c(=O)c2ccc3c(=O)n(C[N+](C)(C)C)c(=O)c4ccc(c1=O)c2c34 ZINC000072107528 717133856 /nfs/dbraw/zinc/13/38/56/717133856.db2.gz QRLXPVBTBCFNEK-UHFFFAOYSA-N 2 0 410.474 0.393 1 5 HCBFRP