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)CCCCC[NH2+]CCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2cccc(O)c12 ZINC000238736187 717162332 /nfs/dbraw/zinc/16/23/32/717162332.db2.gz LULSQEKHKSLGLX-UHFFFAOYSA-O 2 3 505.728 2.449 1 5 KEBFHP