smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1C(=O)NC(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000001778654	194138695	/nfs/dbraw/zinc/13/86/95/194138695.db2.gz	AQJPVHDXOWHCBW-KTKRTIGZSA-N	0	2	468.430	-0.097	50	10		JBCALN
CCOc1ccccc1N1C(=O)NC(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009157981	554947205	/nfs/dbraw/zinc/94/72/05/554947205.db2.gz	JKQPWBYLVPTGNI-KHPPLWFESA-N	0	2	482.457	-0.547	50	10		JBCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1C	ZINC000009192441	554965613	/nfs/dbraw/zinc/96/56/13/554965613.db2.gz	LUTRDSWEYMFYJH-LCYFTJDESA-N	0	2	466.458	-0.329	50	10		JBCALN
Cc1ccccc1N1C(=O)NC(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009209412	554978320	/nfs/dbraw/zinc/97/83/20/554978320.db2.gz	HMGVNFPMWWIASU-LUAWRHEFSA-N	0	2	452.431	-0.637	50	10		JBCALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009293004	555068079	/nfs/dbraw/zinc/06/80/79/555068079.db2.gz	MPTMMOPZXLFNHK-FLIBITNWSA-N	0	2	472.849	-0.293	50	10		JBCALN
Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(c3ccccc3Cl)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009312608	555088873	/nfs/dbraw/zinc/08/88/73/555088873.db2.gz	GRWJUOSYCAZCOJ-HJWRWDBZSA-N	0	2	472.849	-0.293	50	10		JBCALN
COc1ccc(N2C(=O)NC(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1	ZINC000013806611	555623771	/nfs/dbraw/zinc/62/37/71/555623771.db2.gz	AFWRJEGDBOMKLK-XFXZXTDPSA-N	0	2	468.430	-0.733	50	10		JBCALN
COc1ccc(N2C(=O)NC(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1	ZINC000086049252	569717042	/nfs/dbraw/zinc/71/70/42/569717042.db2.gz	AFWRJEGDBOMKLK-FMIVXFBMSA-N	0	2	468.430	-0.937	50	10		JBCALN
O=c1[nH]c(=S)[nH]c(O)c1C=Nc1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1Cl	ZINC000098087114	569750655	/nfs/dbraw/zinc/75/06/55/569750655.db2.gz	RCGULDDBYUCILR-UHFFFAOYSA-N	0	2	450.889	-0.007	50	10		JBCALN