smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)N[O-])cc1	ZINC000013537250	220071948	/nfs/dbraw/zinc/07/19/48/220071948.db2.gz	SSQXFNKOLMHXPO-QCNOEVLYSA-N	-1	3	362.360	-2.344	1	30		FAEFHM
COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)N[O-])cc1	ZINC000013537260	211039868	/nfs/dbraw/zinc/03/98/68/211039868.db2.gz	SSQXFNKOLMHXPO-WYUUTHIRSA-N	-1	3	362.360	-2.344	1	30		FAEFHM
COc1ccc(S(=O)(=O)N2CCN(C(N)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000013804676	211059326	/nfs/dbraw/zinc/05/93/26/211059326.db2.gz	KEWGKOQZKWDXBX-LLVKDONJSA-N	-1	3	358.376	-1.046	1	30		FAEFHM
COc1ccc(S(=O)(=O)N2CCN(C(N)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000013804679	211060489	/nfs/dbraw/zinc/06/04/89/211060489.db2.gz	KEWGKOQZKWDXBX-NSHDSACASA-N	-1	3	358.376	-1.046	1	30		FAEFHM
C=C1[C@@H](O)[C@@H](CO)O[C@@H]1n1cc(I)c(=O)[n-]c1=O	ZINC000027895588	210162897	/nfs/dbraw/zinc/16/28/97/210162897.db2.gz	AWNMJUBKPPDYPR-BHNWBGBOSA-N	-1	3	366.111	-1.052	1	30		FAEFHM
NC(=N[N+](=O)[O-])NCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[O-]	ZINC000045301052	205120109	/nfs/dbraw/zinc/12/01/09/205120109.db2.gz	VRKWHWQMOJOXPS-JTQLQIEISA-N	-1	3	374.379	-1.285	1	30		FAEFHM
COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)N[O-])cc1	ZINC000066252708	205364925	/nfs/dbraw/zinc/36/49/25/205364925.db2.gz	VDUBALDTEGAJSW-JOYOIKCWSA-N	-1	3	364.376	-2.095	1	30		FAEFHM