smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC2CCN(c3ncccc3C#N)CC2)C1 ZINC000065425391 136136407 /nfs/dbraw/zinc/13/64/07/136136407.db2.gz RBGFVXBOWKQMIP-DNVCBOLYSA-N 2 0 354.458 0.189 50 30 FCEARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cc(C#CCO)cs3)C[C@@H]2CO)CC1 ZINC000092065130 523907383 /nfs/dbraw/zinc/90/73/83/523907383.db2.gz XUBPKXGBSNVXTD-QZTJIDSGSA-N 2 0 363.527 0.380 50 30 FCEARP