smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c2cc(Cl)cc(Cl)c2nc1SCC(=O)[O-]	ZINC000004294401	471462914	/nfs/dbraw/zinc/46/29/14/471462914.db2.gz	OJBUMMTWKBIDFB-UHFFFAOYSA-N	-1	0	333.196	2.900	30	0		EFACRM
CC(C)(C)OC(=O)c1nn(-c2ccc(Br)cc2)c(=O)[n-]1	ZINC000036533605	213099035	/nfs/dbraw/zinc/09/90/35/213099035.db2.gz	WOWOFVOEDBANFI-UHFFFAOYSA-N	-1	0	340.177	2.691	30	0		EFACRM
Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)[n-]c2=O)cc1	ZINC000015444130	471905310	/nfs/dbraw/zinc/90/53/10/471905310.db2.gz	DFHFRKCXYUANMP-UHFFFAOYSA-N	-1	0	328.759	2.775	30	0		EFACRM
O=C(c1nn(-c2cccc(Br)c2)c(=O)[n-]1)c1ccccc1	ZINC000015444183	471905515	/nfs/dbraw/zinc/90/55/15/471905515.db2.gz	BHQHNTCNJNBBRZ-UHFFFAOYSA-N	-1	0	344.168	2.554	30	0		EFACRM
O=C(OCc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)[n-]1	ZINC000015444285	471906042	/nfs/dbraw/zinc/90/60/42/471906042.db2.gz	GGUMCTPMXGCNPC-UHFFFAOYSA-N	-1	0	329.743	2.571	30	0		EFACRM
CCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1	ZINC000015444175	471905382	/nfs/dbraw/zinc/90/53/82/471905382.db2.gz	BQWXMKROKZVEGC-UHFFFAOYSA-N	-1	0	325.324	2.530	30	0		EFACRM
O=C(OCc1ccccc1)c1nn(-c2cccc(Cl)c2)c(=O)[n-]1	ZINC000015444289	471905834	/nfs/dbraw/zinc/90/58/34/471905834.db2.gz	IENYRCOZZKSLNP-UHFFFAOYSA-N	-1	0	329.743	2.571	30	0		EFACRM
CC(C)OC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)[n-]1	ZINC000015444162	211825650	/nfs/dbraw/zinc/82/56/50/211825650.db2.gz	FGOOMFFLWIDLKQ-UHFFFAOYSA-N	-1	0	339.351	2.918	30	0		EFACRM
CCOC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1	ZINC000015444163	471906021	/nfs/dbraw/zinc/90/60/21/471906021.db2.gz	IICAFYOYSZXMOI-UHFFFAOYSA-N	-1	0	336.562	2.698	30	0		EFACRM
Cc1ccc2nc(SCC(=O)[O-])n(-c3ccccc3)c(=O)c2c1	ZINC000004294407	210162253	/nfs/dbraw/zinc/16/22/53/210162253.db2.gz	IVFWXZXYUWNGCS-UHFFFAOYSA-N	-1	0	326.377	2.871	30	0		EFACRM