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)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F ZINC000100304580 717142875 /nfs/dbraw/zinc/14/28/75/717142875.db2.gz SIXGWDZLDUUIHP-UHFFFAOYSA-N 1 0 513.265 4.573 10 50 KJGERO