smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OCC(=O)[O-]	ZINC000016115180	570914151	/nfs/dbraw/zinc/91/41/51/570914151.db2.gz	LORYFFNBQNGIFF-OHUUDMDPSA-N	-2	0	381.366	0.555	50	30		GCEARL
C#CC[C@](Cc1cnc2nc(N)nc(N)c2n1)(C(=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000022012802	209174921	/nfs/dbraw/zinc/17/49/21/209174921.db2.gz	ILBWWYWWFMIPHY-LJQANCHMSA-N	-2	0	392.375	0.871	50	30		GCEARL
COc1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000020504078	521936761	/nfs/dbraw/zinc/93/67/61/521936761.db2.gz	IPXAVBZRUQGVHN-SNAWJCMRSA-N	-2	0	377.309	0.308	50	30		GCEARL
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1OCC(=O)[O-]	ZINC000006603501	570484337	/nfs/dbraw/zinc/48/43/37/570484337.db2.gz	LORYFFNBQNGIFF-MTTUFYGSSA-N	-2	0	381.366	0.555	50	30		GCEARL
O=C1Nc2c(cc(Cl)cc2Cl)C1=NNc1nc2nc(=O)[n-]c(=O)c-2n[n-]1	ZINC000015905860	570287616	/nfs/dbraw/zinc/28/76/16/570287616.db2.gz	ZNAFJJMFVDVQNQ-UHFFFAOYSA-N	-2	0	393.150	0.889	50	30		GCEARL
C#CC[C@@](Cc1cnc2nc(N)nc(N)c2n1)(C(=O)[O-])c1ccc(C(=O)[O-])cc1	ZINC000022012807	206251130	/nfs/dbraw/zinc/25/11/30/206251130.db2.gz	ILBWWYWWFMIPHY-IBGZPJMESA-N	-2	0	392.375	0.871	50	30		GCEARL