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 560220824 /nfs/dbraw/zinc/22/08/24/560220824.db2.gz OBQDKVJMMATTQP-QSAFDGGLSA-N -1 1 480.469 3.884 10 5 in-vitro JHBEMM 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 560220748 /nfs/dbraw/zinc/22/07/48/560220748.db2.gz OBQDKVJMMATTQP-XWXLMPLOSA-N -1 1 480.469 3.884 10 5 in-vitro JHBEMM