smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1[nH]c(=O)c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C#N ZINC000095953003 569376678 /nfs/dbraw/zinc/37/66/78/569376678.db2.gz YNOXLVZXUMLJBZ-UHFFFAOYSA-N 0 2 437.525 1.316 20 30 IDEDLN