smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc(OC)c1OC	ZINC000016512203	1067256811	/nfs/dbraw/zinc/25/68/11/1067256811.db2.gz	GYCRDNQPBMMJNV-VCXWMSAXSA-N	0	1	491.461	-1.215	50	30		JAEAMN
NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000033897895	569637204	/nfs/dbraw/zinc/63/72/04/569637204.db2.gz	FJPHHBGPPJXISY-KGLIPLIRSA-N	0	1	451.484	-2.883	50	30		JAEAMN
NCC(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000033897896	569637208	/nfs/dbraw/zinc/63/72/08/569637208.db2.gz	FJPHHBGPPJXISY-ZIAGYGMSSA-N	0	1	451.484	-2.883	50	30		JAEAMN
COc1cc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(OC)c1OC	ZINC000105202494	1067028653	/nfs/dbraw/zinc/02/86/53/1067028653.db2.gz	GYCRDNQPBMMJNV-UFBZHTEYSA-N	0	1	491.461	-1.215	50	30		JAEAMN