smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c1=S	ZINC000027107258	209178508	/nfs/dbraw/zinc/17/85/08/209178508.db2.gz	ZDWHDAZRQFTRLI-QYVSTXNMSA-N	-1	1	395.441	0.434	1	30		GCEFMM
C=CC[P@@](=O)([O-])CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000028567600	209180825	/nfs/dbraw/zinc/18/08/25/209180825.db2.gz	HVRHMPNTUFPRBF-RYUDHWBXSA-N	-1	1	377.378	0.240	1	30		GCEFMM
N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CC(C(=O)[O-])C3)cc21	ZINC000014960812	207035103	/nfs/dbraw/zinc/03/51/03/207035103.db2.gz	VRZHMXKNAYJAJH-UHFFFAOYSA-N	-1	1	383.817	0.498	1	30		GCEFMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1	ZINC000095552249	222355060	/nfs/dbraw/zinc/35/50/60/222355060.db2.gz	KGVXFRUMAXEMKI-UHFFFAOYSA-N	-1	1	395.397	0.751	1	30		GCEFMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1	ZINC000095552249	222355066	/nfs/dbraw/zinc/35/50/66/222355066.db2.gz	KGVXFRUMAXEMKI-UHFFFAOYSA-N	-1	1	395.397	0.751	1	30		GCEFMM
Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1	ZINC000082102543	208079601	/nfs/dbraw/zinc/07/96/01/208079601.db2.gz	KLSGPUYORTWTLH-UHFFFAOYSA-N	-1	1	378.414	0.905	1	30		GCEFMM
Cc1cc(C)nc(NC([O-])=NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1	ZINC000082102543	208079605	/nfs/dbraw/zinc/07/96/05/208079605.db2.gz	KLSGPUYORTWTLH-UHFFFAOYSA-N	-1	1	378.414	0.905	1	30		GCEFMM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(/C=C/C(=O)NO)cc2)cc1	ZINC000100853239	208382777	/nfs/dbraw/zinc/38/27/77/208382777.db2.gz	JLTDXXRPDVFXJE-XCVCLJGOSA-N	-1	1	397.434	0.653	1	30		GCEFMM