smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436988957 338297064 /nfs/dbraw/zinc/29/70/64/338297064.db2.gz KZCIIEOFJJWCIO-UHFFFAOYSA-N -1 3 323.436 5.113 20 30 DKEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)n1 ZINC000546678070 341178437 /nfs/dbraw/zinc/17/84/37/341178437.db2.gz HZBPSRISHIWLJU-INIZCTEOSA-N -1 3 324.449 5.024 20 30 DKEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)n1 ZINC000546678072 341178451 /nfs/dbraw/zinc/17/84/51/341178451.db2.gz HZBPSRISHIWLJU-MRXNPFEDSA-N -1 3 324.449 5.024 20 30 DKEDHM