smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN(CCOc2ccccc2)CC1 ZINC000218204317 557181762 /nfs/dbraw/zinc/18/17/62/557181762.db2.gz UKYORUHTRJGLAJ-UHFFFAOYSA-N 0 3 427.545 2.528 50 70 IFIAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3Cl)CC2)CCCC1 ZINC000218379927 557196569 /nfs/dbraw/zinc/19/65/69/557196569.db2.gz PLAZSEWHRJNPHG-UHFFFAOYSA-N 0 3 430.980 2.545 50 70 IFIAHN