smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C(=N)[N-]S(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F	ZINC000117757020	1066886915	/nfs/dbraw/zinc/88/69/15/1066886915.db2.gz	CWNLBPBIFALUQD-GFCCVEGCSA-N	-1	3	544.511	3.555	20	30		KHEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1	ZINC000514300035	1066355450	/nfs/dbraw/zinc/35/54/50/1066355450.db2.gz	LKGSLNVECGHXNC-UHFFFAOYSA-N	-1	3	510.660	3.789	20	30		KHEDHM
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000514405176	1066481567	/nfs/dbraw/zinc/48/15/67/1066481567.db2.gz	SDBSSMWEOGHPKP-UHFFFAOYSA-N	-1	3	501.653	3.724	20	30		KHEDHM