smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050027002	571765771	/nfs/dbraw/zinc/76/57/71/571765771.db2.gz	SMDQRGAERNMJJF-CMPLNLGQSA-N	-1	1	307.375	0.537	1	30	endogenous,in-man	DCEFMM
CS(=O)(=O)[N-]C(=O)[C@@H]([NH3+])CCSCCCCC(=O)[O-]	ZINC000096928964	185392332	/nfs/dbraw/zinc/39/23/32/185392332.db2.gz	XOMHYJQIPCZNQH-QMMMGPOBSA-N	-1	1	312.413	0.608	1	30		DCEFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000040439748	571762118	/nfs/dbraw/zinc/76/21/18/571762118.db2.gz	SMDQRGAERNMJJF-JQWIXIFHSA-N	-1	1	307.375	0.537	1	30	endogenous,in-man	DCEFMM
COC(=O)[C@@]12O[C@@H]1C=Cc1oc3cc(CO)cc([O-])c3c(=O)c12	ZINC000005605991	181262746	/nfs/dbraw/zinc/26/27/46/181262746.db2.gz	DYSASOJNGXSFHH-BDJLRTHQSA-N	-1	1	316.265	0.785	1	30		DCEFMM
Cc1cc(=O)n(-c2ccc(OCc3no[n+]([O-])c3C#N)cc2)[n-]1	ZINC000040390756	183060324	/nfs/dbraw/zinc/06/03/24/183060324.db2.gz	XJWMHTPUXKKCCW-UHFFFAOYSA-N	-1	1	313.273	0.871	1	30		DCEFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050027358	571767413	/nfs/dbraw/zinc/76/74/13/571767413.db2.gz	SMDQRGAERNMJJF-ZYHUDNBSSA-N	-1	1	307.375	0.537	1	30	endogenous,in-man	DCEFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000050027345	571766947	/nfs/dbraw/zinc/76/69/47/571766947.db2.gz	SMDQRGAERNMJJF-PWSUYJOCSA-N	-1	1	307.375	0.537	1	30	endogenous,in-man	DCEFMM
CS(=O)(=O)[N-]C(=O)[C@H]([NH3+])CCSCCCCC(=O)[O-]	ZINC000096928963	185392343	/nfs/dbraw/zinc/39/23/43/185392343.db2.gz	XOMHYJQIPCZNQH-MRVPVSSYSA-N	-1	1	312.413	0.608	1	30		DCEFMM