smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(O)c(NC(=O)c2cccc(C#N)c2O)c1	ZINC001193652306	797603727	/nfs/dbraw/zinc/60/37/27/797603727.db2.gz	CZDXMLJKBSCKSV-UHFFFAOYSA-N	-2	2	311.297	2.180	20	30		DEEDLL
N#Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1O	ZINC001454282197	1057470783	/nfs/dbraw/zinc/47/07/83/1057470783.db2.gz	VUBMVYONHSEXFG-UHFFFAOYSA-N	-2	2	320.308	2.407	20	30		DEEDLL
N#CC1=C(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)SCC1=O	ZINC001176240145	794383896	/nfs/dbraw/zinc/38/38/96/794383896.db2.gz	VCAAVPHHQLYNQB-UHFFFAOYSA-N	-2	2	304.283	2.465	20	30		DEEDLL
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C#N)c(O)c3)n2)o1	ZINC000188675672	333052251	/nfs/dbraw/zinc/05/22/51/333052251.db2.gz	AFPQWRFDGWXXRR-UHFFFAOYSA-N	-2	2	309.285	2.203	20	30		DEEDLL
O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(-c3nn[nH]n3)c2)c1	ZINC000920944227	648264505	/nfs/dbraw/zinc/26/45/05/648264505.db2.gz	JVCIAMHLYYFENC-UHFFFAOYSA-N	-2	2	310.273	2.231	20	30		DEEDLL
O=C(c1ccc([N+](=O)[O-])cc1O)N(O)Cc1ccc(F)cc1	ZINC001184349226	796048893	/nfs/dbraw/zinc/04/88/93/796048893.db2.gz	ZPHGISGBHABRSN-UHFFFAOYSA-N	-2	2	306.249	2.471	20	30		DEEDLL