smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c([O-])c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890084 560220822 /nfs/dbraw/zinc/22/08/22/560220822.db2.gz OBQDKVJMMATTQP-QSAFDGGLSA-N -2 0 480.469 3.884 10 5 in-vitro JHBERL CC[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c([O-])c3c2o1)C(=O)CC[C@@H]4OC(C)=O ZINC000013890086 560220745 /nfs/dbraw/zinc/22/07/45/560220745.db2.gz OBQDKVJMMATTQP-XWXLMPLOSA-N -2 0 480.469 3.884 10 5 in-vitro JHBERL