smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-]CCO)C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)[N-]CCO)C(F)(F)F	ZINC000008828803	556224858	/nfs/dbraw/zinc/22/48/58/556224858.db2.gz	LKTDHDVOURATOH-QMMMGPOBSA-N	-2	0	442.206	0.312	50	30		ICEARL
O=C([N-]CCO)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)[N-]CCO)C(F)(F)F	ZINC000008828804	556224879	/nfs/dbraw/zinc/22/48/79/556224879.db2.gz	LKTDHDVOURATOH-MRVPVSSYSA-N	-2	0	442.206	0.312	50	30		ICEARL
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(NN=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000009698202	555602835	/nfs/dbraw/zinc/60/28/35/555602835.db2.gz	LOTBLNOHZCNJGE-UHFFFAOYSA-N	-2	0	447.454	0.484	50	30		ICEARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)[N-]C(=S)NC3=O)cc2)n1	ZINC000012487185	524593136	/nfs/dbraw/zinc/59/31/36/524593136.db2.gz	LZQNIFOHEIPNDS-UHFFFAOYSA-N	-2	0	433.475	0.193	50	30		ICEARL
O=C([N-]CC[NH+](CC[N-]C(=O)C(F)(F)F)CC[N-]C(=O)C(F)(F)F)C(F)(F)F	ZINC000100439029	557261405	/nfs/dbraw/zinc/26/14/05/557261405.db2.gz	YFDXKLHAJTVRDJ-UHFFFAOYSA-N	-2	0	434.259	0.324	50	30		ICEARL