smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2[nH]c(N=Nc3ccc(S(=O)(=O)[O-])cc3)nc21	ZINC000104334452	295375289	/nfs/dbraw/zinc/37/52/89/295375289.db2.gz	UODCGYAALBSTPF-ZCXUNETKSA-N	-1	2	319.306	1.597	40	10		DDCBLM
Nc1ncnc2[nH]c(N=Nc3ccc(S(=O)(=O)[O-])cc3)nc21	ZINC000004429882	295375470	/nfs/dbraw/zinc/37/54/70/295375470.db2.gz	UODCGYAALBSTPF-ISLYRVAYSA-N	-1	2	319.306	1.597	40	10		DDCBLM
Nc1nc(=O)c(N=Nc2ccc(SCC(=O)[O-])cc2)c(N)[nH]1	ZINC000004878911	181167771	/nfs/dbraw/zinc/16/77/71/181167771.db2.gz	AYYSVBIYOZSNGC-ISLYRVAYSA-N	-1	2	320.334	1.526	40	10		DDCBLM
O=Cc1cc(O)c([O-])c(O)c1-c1c(O)c(O)c(O)cc1C=O	ZINC000005824259	696015600	/nfs/dbraw/zinc/01/56/00/696015600.db2.gz	KIYPEIJLQVMIMH-UHFFFAOYSA-N	-1	2	306.226	1.212	40	10		DDCBLM
Nc1nc(=O)c(N=Nc2ccc(SCC(=O)[O-])cc2)c(N)[nH]1	ZINC000018192390	406884981	/nfs/dbraw/zinc/88/49/81/406884981.db2.gz	AYYSVBIYOZSNGC-ZCXUNETKSA-N	-1	2	320.334	1.526	40	10		DDCBLM
Cc1cc(Cl)cc(C[N@H+](C)Cn2c(=O)cc[nH]c2=O)c1O	ZINC000001569514	406672395	/nfs/dbraw/zinc/67/23/95/406672395.db2.gz	APNHUNFNDKBIGO-UHFFFAOYSA-N	-1	2	309.753	1.294	40	10		DDCBLM
O=c1oc2c(O)c([O-])c(O)c3c(=O)oc4c(O)c(O)cc1c4c23	ZINC000005784243	304819568	/nfs/dbraw/zinc/81/95/68/304819568.db2.gz	ZFLBHPZBJRWSJR-UHFFFAOYSA-N	-1	2	318.193	1.018	40	10		DDCBLM