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)CCNc1ccc(NCC[N+](C)(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000005116003 717098554 /nfs/dbraw/zinc/09/85/54/717098554.db2.gz AAXIZAOIICXQPJ-UHFFFAOYSA-P 2 0 410.562 2.698 1 10 HFCFRP