smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=[NH+]\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012467159 570671552 /nfs/dbraw/zinc/67/15/52/570671552.db2.gz RNIQDJHIYCOASO-DIBXZPPDSA-N 2 1 396.538 4.474 40 30 GIEBMP