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=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002308869	132252167	/nfs/dbraw/zinc/25/21/67/132252167.db2.gz	XCJYMSZIGLGSKB-RIYZIHGNSA-N	-1	2	414.345	1.964	50	10		HDCALM
O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1	ZINC000019079936	568752735	/nfs/dbraw/zinc/75/27/35/568752735.db2.gz	KWHYMXJQORVHJF-UHFFFAOYSA-N	-1	2	406.445	1.697	50	10		HDCALM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000004703255	132283808	/nfs/dbraw/zinc/28/38/08/132283808.db2.gz	WIYRPSACFFMPBW-NTUHNPAUSA-N	-1	2	410.338	1.545	50	10		HDCALM
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000012381028	132359212	/nfs/dbraw/zinc/35/92/12/132359212.db2.gz	HSNFDVHQWJDGPX-SHLUWWQESA-N	-1	2	424.365	1.934	50	10		HDCALM