smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C#N)c(=O)n(C)c(O)c1/C=C1/C(C)=C(C(N)=O)C(=O)N(C)C1=O	ZINC000005536067	483416064	/nfs/dbraw/zinc/41/60/64/483416064.db2.gz	MQSMWRAYNPMMQD-YHYXMXQVSA-N	0	2	356.338	-0.545	40	30		FBEBLN
CCCCCCCC(c1c(O)[nH]c(=O)[nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O	ZINC000100923667	222257762	/nfs/dbraw/zinc/25/77/62/222257762.db2.gz	SZSQCRWMSFONQM-UHFFFAOYSA-N	0	2	366.374	-0.073	40	30		FBEBLN
N#Cc1ccc(C(c2c(O)[nH]c(N)nc2=O)C2C(=O)N=C(N)NC2=O)cc1	ZINC000408919871	484602970	/nfs/dbraw/zinc/60/29/70/484602970.db2.gz	DQDMYVGMTKFDCF-UHFFFAOYSA-N	0	2	367.325	-0.034	40	30		FBEBLN
C[NH+]1CCN(CC(=O)N=C2C=CC(=S(=O)([O-])NC3CC3)C=C2)CC1	ZINC000409416013	484258780	/nfs/dbraw/zinc/25/87/80/484258780.db2.gz	PZTLTCNBBUGNFE-UHFFFAOYSA-N	0	2	352.460	-0.076	40	30		FBEBLN