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)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000065535152 649964205 /nfs/dbraw/zinc/96/42/05/649964205.db2.gz LRPGIDSQBUOQQA-CRAIPNDOSA-N 2 1 340.431 -0.247 50 30 EBEAMP