smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+](CC[N+]2(C)CCCCC2)C2CCCCC2)cc1 ZINC000033638915 717121547 /nfs/dbraw/zinc/12/15/47/717121547.db2.gz KYJQEXSCUADXBN-UHFFFAOYSA-N 2 1 345.551 4.460 10 5 EIBEMP