smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC(C)=O ZINC000033409104 521976483 /nfs/dbraw/zinc/97/64/83/521976483.db2.gz GDLJVHZLTKEXKX-MFOYZWKCSA-N 0 0 483.489 5.054 20 10 JKCDRN