smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)n(CC(=O)[O-])c(=O)n(Cc1ccc(N3CCCC3)cc1)c2=O ZINC000073658840 523053630 /nfs/dbraw/zinc/05/36/30/523053630.db2.gz OTCUCWDZXRYZFG-UHFFFAOYSA-N -1 0 439.468 1.914 10 10 IDCERM CN(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O ZINC000077311996 563172893 /nfs/dbraw/zinc/17/28/93/563172893.db2.gz QSLRRDSIIHRSEJ-OSFFKXSWSA-N -1 0 439.508 1.431 10 10 in-vitro IDCERM