smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]C2(C#N)CCCCCC2)c(=O)n(C)c1=O ZINC000194129347 381035472 /nfs/dbraw/zinc/03/54/72/381035472.db2.gz YDCOCKZAKPNFAS-UHFFFAOYSA-N -1 1 340.405 -0.021 10 30 EBEEMM