smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[n-]1	ZINC000015444128	453573686	/nfs/dbraw/zinc/57/36/86/453573686.db2.gz	GMENZWVESJQGIU-UHFFFAOYSA-N	-1	0	349.177	3.120	30	0		EGACRM
O=C([O-])CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1	ZINC000004294403	304073273	/nfs/dbraw/zinc/07/32/73/304073273.db2.gz	UUCRAZIJUFGOQP-UHFFFAOYSA-N	-1	0	346.795	3.216	30	0		EGACRM
CC(C)(C)OC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)[O-])CC1	ZINC000821275188	1320005242	/nfs/dbraw/zinc/00/52/42/1320005242.db2.gz	CEDBWZWIWDMHFY-UHFFFAOYSA-N	-1	0	338.379	3.092	30	0		EGACRM
Nc1c(Cl)cc(Br)c(C(=O)[O-])c1Br	ZINC000040571574	453953023	/nfs/dbraw/zinc/95/30/23/453953023.db2.gz	BVZRZLWQOGNPCY-UHFFFAOYSA-N	-1	0	329.375	3.145	30	0		EGACRM
O=C(c1nn(-c2ccc(-c3ccccc3)cc2)c(=O)[n-]1)c1ccccc1	ZINC000015444170	453573656	/nfs/dbraw/zinc/57/36/56/453573656.db2.gz	GEGFDAYYFROPAO-UHFFFAOYSA-N	-1	0	341.370	3.459	30	0		EGACRM
Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)[n-]c2=O)c1	ZINC000036533599	213099777	/nfs/dbraw/zinc/09/97/77/213099777.db2.gz	RCVMAWWQKRPKIP-UHFFFAOYSA-N	-1	0	328.759	3.187	30	0		EGACRM
COc1ccc(Cc2nc3ccccc3n2CCC(=O)[O-])cc1OC	ZINC000004243833	210150946	/nfs/dbraw/zinc/15/09/46/210150946.db2.gz	AKPODHSYTMRPHY-UHFFFAOYSA-N	-1	0	340.379	3.119	30	0		EGACRM
Nc1c(Br)cc(Cl)c(C(=O)[O-])c1Br	ZINC000040571545	453953331	/nfs/dbraw/zinc/95/33/31/453953331.db2.gz	GKKHMSREATWSKI-UHFFFAOYSA-N	-1	0	329.375	3.145	30	0		EGACRM
COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)[n-]c1=O	ZINC000115680003	1293193744	/nfs/dbraw/zinc/19/37/44/1293193744.db2.gz	PGDZJTIWMLFVKA-UHFFFAOYSA-N	-1	0	330.731	3.094	30	0		EGACRM
COc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1OC	ZINC000031973175	453859716	/nfs/dbraw/zinc/85/97/16/453859716.db2.gz	GTMWZZBAUINJPT-FNORWQNLSA-N	-1	0	338.363	3.425	30	0		EGACRM