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(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737981160	945171501	/nfs/dbraw/zinc/17/15/01/945171501.db2.gz	IXLRWOFQNVOXDH-UHFFFAOYSA-N	0	2	380.328	-1.288	20	50		GAGDLN
O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000737982884	945171381	/nfs/dbraw/zinc/17/13/81/945171381.db2.gz	TYUPFVRMJYTEAC-UHFFFAOYSA-N	0	2	380.328	-1.288	20	50		GAGDLN
CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NNC(=O)c2cccc(C)c2)c1=O	ZINC000821565443	945717564	/nfs/dbraw/zinc/71/75/64/945717564.db2.gz	SWPMMGYDCQLDAH-UHFFFAOYSA-N	0	2	398.383	-1.020	20	50		GAGDLN
CN1C(=O)C(=O)N(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1=O	ZINC000826010265	608627084	/nfs/dbraw/zinc/62/70/84/608627084.db2.gz	GNDXLSDSAJYBSK-UHFFFAOYSA-N	0	2	379.724	-1.221	20	50		GAGDLN
Cn1c(=O)ccn(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1=O	ZINC000826354619	948106058	/nfs/dbraw/zinc/10/60/58/948106058.db2.gz	NAORKHNXNCRLOP-UHFFFAOYSA-N	0	2	377.752	-1.081	20	50		GAGDLN
NS(=O)(=O)c1cnn(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1	ZINC000826395021	608574734	/nfs/dbraw/zinc/57/47/34/608574734.db2.gz	JYPMCKCFHIAFKC-UHFFFAOYSA-N	0	2	398.796	-1.098	20	50		GAGDLN
O=C([O-])NCC(=O)NNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1	ZINC000834200736	605459962	/nfs/dbraw/zinc/45/99/62/605459962.db2.gz	PINXFNSBZQUAIF-UHFFFAOYSA-N	0	2	378.389	-1.075	20	50		GAGDLN