smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H](O)Cc1c([O-])c(CC=C(C)C)c([O-])c2c1occ(-c1ccc(O)c(O)c1)c2=O ZINC000014727610 557145321 /nfs/dbraw/zinc/14/53/21/557145321.db2.gz RZHIZFURFGRHHQ-IBGZPJMESA-N -2 3 438.476 4.271 10 30 in-vitro IIEEHL C=C(C)[C@@H](O)Cc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1[O-] ZINC000014727608 557145396 /nfs/dbraw/zinc/14/53/96/557145396.db2.gz FSQKKJIBNQATIX-IBGZPJMESA-N -2 3 438.476 4.271 10 30 in-vitro IIEEHL C=C(C)[C@H](O)Cc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1[O-] ZINC000014727607 557145363 /nfs/dbraw/zinc/14/53/63/557145363.db2.gz FSQKKJIBNQATIX-LJQANCHMSA-N -2 3 438.476 4.271 10 30 in-vitro IIEEHL C=C(C)[C@H](O)Cc1c([O-])c(CC=C(C)C)c([O-])c2c1occ(-c1ccc(O)c(O)c1)c2=O ZINC000014727609 557145455 /nfs/dbraw/zinc/14/54/55/557145455.db2.gz RZHIZFURFGRHHQ-LJQANCHMSA-N -2 3 438.476 4.271 10 30 in-vitro IIEEHL