smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccncc2-c2nn(CC[NH2+]CCO)c3ccc(NCCN(CCO)CCO)c1c32	ZINC000027627100	563047451	/nfs/dbraw/zinc/04/74/51/563047451.db2.gz	BKLRAASIHGOWAD-UHFFFAOYSA-N	1	1	454.531	-0.077	1	10		JBCFMO
O=C1c2c3c(ccc2NCCN(CCO)CCO)n(CC[NH2+]CCO)nc3-c2c(O)ccc(O)c21	ZINC000028757654	563077883	/nfs/dbraw/zinc/07/78/83/563077883.db2.gz	NCIPNIBHRJPAJV-UHFFFAOYSA-N	1	1	485.541	-0.061	1	10		JBCFMO
C[NH2+]Cc1c(C)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085569009	291423945	/nfs/dbraw/zinc/42/39/45/291423945.db2.gz	SNSCTVJNALDEAV-ZRKQWZGSSA-N	1	1	489.477	-0.617	1	10	biogenic,in-vitro	JBCFMO