smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)[nH]1	ZINC000015444146	356416484	/nfs/dbraw/zinc/41/64/84/356416484.db2.gz	FUSSUTHWNXKNLP-UHFFFAOYSA-N	0	2	281.699	1.779	30	0		CDACLN
CCOC(=O)c1nn(-c2ccc(F)c(Cl)c2)c(=O)[nH]1	ZINC000015444277	356416409	/nfs/dbraw/zinc/41/64/09/356416409.db2.gz	RHSBKNIBKPEMAE-UHFFFAOYSA-N	0	2	285.662	1.530	30	0		CDACLN
COC(=O)c1nn(-c2ccccc2Cl)c(=O)[nH]1	ZINC000015444275	356416588	/nfs/dbraw/zinc/41/65/88/356416588.db2.gz	MPPKPKIFJIBWND-UHFFFAOYSA-N	0	2	253.645	1.001	30	0		CDACLN
NS(=O)(=O)c1c(F)c(F)c(F)cc1Br	ZINC000036533116	172638564	/nfs/dbraw/zinc/63/85/64/172638564.db2.gz	ANNJYFGTYFKCML-UHFFFAOYSA-N	0	2	290.060	1.514	30	0		CDACLN
O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1	ZINC000015444121	356416523	/nfs/dbraw/zinc/41/65/23/356416523.db2.gz	AFSTXOFGJISYRS-UHFFFAOYSA-N	0	2	280.287	1.813	30	0		CDACLN
CCOC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)[nH]1	ZINC000015444115	358256260	/nfs/dbraw/zinc/25/62/60/358256260.db2.gz	VZCZBLLCNQLXSI-UHFFFAOYSA-N	0	2	281.699	1.699	30	0		CDACLN
COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1	ZINC000015444273	356416677	/nfs/dbraw/zinc/41/66/77/356416677.db2.gz	BNUDNLOELBEWBE-UHFFFAOYSA-N	0	2	288.090	1.654	30	0		CDACLN
O=C(c1nn(-c2ccccc2)c(=O)[nH]1)c1ccccc1	ZINC000015443926	356416765	/nfs/dbraw/zinc/41/67/65/356416765.db2.gz	ZWQUGNYOWIGFKS-UHFFFAOYSA-N	0	2	265.272	1.792	30	0		CDACLN
COC(=O)c1nn(-c2ccc(Br)cc2)c(=O)[nH]1	ZINC000015444117	292037676	/nfs/dbraw/zinc/03/76/76/292037676.db2.gz	WGXIRLXKVLVSCY-UHFFFAOYSA-N	0	2	298.096	1.110	30	0		CDACLN