smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cn(CC(=O)N2C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(=O)[n-]c1=O ZINC001557203778 1073021449 /nfs/dbraw/zinc/02/14/49/1073021449.db2.gz NAJDQICGKOOEMD-BDAKNGLRSA-N -2 0 441.288 0.421 20 30 ICEDRL N#Cc1cn(CC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c(=O)[n-]c1=O ZINC001557557286 1073059375 /nfs/dbraw/zinc/05/93/75/1073059375.db2.gz VJWZNSGDEMBGJK-HUUCEWRRSA-N -2 0 449.389 0.884 20 30 ICEDRL C=CCn1c(=O)c2ccc(C(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)cc2[n-]c1=S ZINC001559014787 1073229780 /nfs/dbraw/zinc/22/97/80/1073229780.db2.gz JWJMDKBRCSZGGN-UHFFFAOYSA-N -2 0 436.453 0.702 20 30 ICEDRL