smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CN)C(=O)[O-] ZINC000002561016 303157265 /nfs/dbraw/zinc/15/72/65/303157265.db2.gz HFTOYZJDQMYPJK-BQBZGAKWSA-N -2 1 300.271 -2.222 40 30 DAEBML