smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ccc(NC=O)cc2C(=O)N(C)C)n1	ZINC000002540057	554233803	/nfs/dbraw/zinc/23/38/03/554233803.db2.gz	YBVUPWOFPHADCB-UHFFFAOYSA-N	-1	1	452.449	0.479	40	30		JCEBMM
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)c2ccc(NC=O)cc2C(=O)N(C)C)n1	ZINC000002540057	554233801	/nfs/dbraw/zinc/23/38/01/554233801.db2.gz	YBVUPWOFPHADCB-UHFFFAOYSA-N	-1	1	452.449	0.479	40	30		JCEBMM
C=C1c2cccc(O)c2C(=O)[C@]2(Cl)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3C[C@H]12	ZINC000004552236	194392026	/nfs/dbraw/zinc/39/20/26/194392026.db2.gz	FZYOHMSABALXDR-AGZKDWQHSA-N	-1	1	460.870	0.326	40	30		JCEBMM
C=C1c2cccc(O)c2C(=O)[C@]2(Cl)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@H]3C[C@H]12	ZINC000004552238	194392004	/nfs/dbraw/zinc/39/20/04/194392004.db2.gz	FZYOHMSABALXDR-FUWXVYQXSA-N	-1	1	460.870	0.326	40	30		JCEBMM
O=S(=O)([O-])c1cc(O)c(/N=N\C2S(=O)(=O)OCCOS2(=O)=O)c2ccccc21	ZINC000073408586	569704492	/nfs/dbraw/zinc/70/44/92/569704492.db2.gz	SFGXHBZZOUUGLQ-PFONDFGASA-N	-1	1	452.444	0.866	40	30		JCEBMM
O=S(=O)([O-])c1cc(O)c(/N=N/C2S(=O)(=O)OCCOS2(=O)=O)c2ccccc21	ZINC000104317028	1070323070	/nfs/dbraw/zinc/32/30/70/1070323070.db2.gz	SFGXHBZZOUUGLQ-CCEZHUSRSA-N	-1	1	452.444	0.866	40	30		JCEBMM
Nn1cnnc1N=NCc1cc(I)cc(I)c1[O-]	ZINC000408719906	570026355	/nfs/dbraw/zinc/02/63/55/570026355.db2.gz	HHUIMQIGRZIPLW-QLKAYGNNSA-N	-1	1	470.012	1.353	40	30		JCEBMM