smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)NC	20255487	167170200	/nfs/dbraw/zinc/17/02/00/167170200.db2.gz	ZDCLYRCPRVRWDU-UHFFFAOYSA-N	0	0	166.246	-0.208	30	0		ABACRN
CCNS(=O)(=O)N1CCCC1	37022808	167281102	/nfs/dbraw/zinc/28/11/02/167281102.db2.gz	PGZGNLWKOIDILC-UHFFFAOYSA-N	0	0	178.257	-0.064	30	0		ABACRN
CNS(=O)(=O)N1CCCC1	20255482	168028367	/nfs/dbraw/zinc/02/83/67/168028367.db2.gz	ZDYVCYULLHXCRP-UHFFFAOYSA-N	0	0	164.230	-0.454	30	0		ABACRN
COc1ccc(N)c(C(N)=O)n1	71257297	168254014	/nfs/dbraw/zinc/25/40/14/168254014.db2.gz	OMZNERDKHHBEQM-UHFFFAOYSA-N	0	0	167.168	-0.229	30	0		ABACRN
NC(=O)C1=C(N)SCC1	34386122	169147244	/nfs/dbraw/zinc/14/72/44/169147244.db2.gz	RYEIGLWKBYXZAT-UHFFFAOYSA-N	0	0	144.199	-0.221	30	0		ABACRN
CN(CC(F)(F)F)S(N)(=O)=O	37502258	343171876	/nfs/dbraw/zinc/17/18/76/343171876.db2.gz	YWJQBLHCEFWSDO-UHFFFAOYSA-N	0	0	192.162	-0.316	30	0		ABACRN
OCC[C@H]1CO1	34049560	351433933	/nfs/dbraw/zinc/43/39/33/351433933.db2.gz	AVSUMWIDHQEMPD-BYPYZUCNSA-N	0	0	88.106	-0.232	30	0	in-vitro	ABACRN
OCC[C@@H]1CO1	34049561	351434174	/nfs/dbraw/zinc/43/41/74/351434174.db2.gz	AVSUMWIDHQEMPD-SCSAIBSYSA-N	0	0	88.106	-0.232	30	0	in-vitro	ABACRN