smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000808512903	641691506	/nfs/dbraw/zinc/69/15/06/641691506.db2.gz	SQHOGCOXETWPMV-UHFFFAOYSA-N	-1	3	384.229	0.490	10	10		GCCEHM
CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000765405488	640668291	/nfs/dbraw/zinc/66/82/91/640668291.db2.gz	YGUGGLJKCUJCIN-UHFFFAOYSA-N	-1	3	378.472	0.659	10	10		GCCEHM
CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790643445	1205468882	/nfs/dbraw/zinc/46/88/82/1205468882.db2.gz	NXUZAXMQYUEZRJ-UHFFFAOYSA-N	-1	3	391.449	0.968	10	10		GCCEHM
COc1cccc([C@H]2[NH2+][C@@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@@H]32)c1[O-]	ZINC000015320640	207048925	/nfs/dbraw/zinc/04/89/25/207048925.db2.gz	BNTSSBNBEGQPHK-ZVZLLHMNSA-N	-1	3	394.449	0.853	10	10		GCCEHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1	ZINC000747522760	1205611302	/nfs/dbraw/zinc/61/13/02/1205611302.db2.gz	SLMWWXRNHYWGJJ-CQSZACIVSA-N	-1	3	397.453	0.273	10	10		GCCEHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1	ZINC000747522759	1205611400	/nfs/dbraw/zinc/61/14/00/1205611400.db2.gz	SLMWWXRNHYWGJJ-AWEZNQCLSA-N	-1	3	397.453	0.273	10	10		GCCEHM
COc1cccc([C@@H]2[NH2+][C@@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000015320637	221335238	/nfs/dbraw/zinc/33/52/38/221335238.db2.gz	BNTSSBNBEGQPHK-PAKFGRKTSA-N	-1	3	394.449	0.853	10	10		GCCEHM