smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](Nc1ccc(-c2ccc(N3CCNCC3)cc2)cc1)C(=O)NCC#N ZINC000001553551 132247205 /nfs/dbraw/zinc/24/72/05/132247205.db2.gz DNRVBUZMGUEKCJ-QHCPKHFHSA-N 0 3 405.546 3.230 1 30 HGEFHN