smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H]1[C@@H](O)[C@@H]([NH2+]C)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@H]3O[C@@H]2[C@@H]1O	ZINC000011592792	211224141	/nfs/dbraw/zinc/22/41/41/211224141.db2.gz	UNFWWIHTNXNPBV-ILXCUTOVSA-N	2	2	332.353	-2.926	1	0		EAAFLP
C[NH2+][C@@H]1[C@H](O)[C@H]([NH2+]C)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	ZINC000011592793	211223618	/nfs/dbraw/zinc/22/36/18/211223618.db2.gz	UNFWWIHTNXNPBV-ZFOBKIDLSA-N	2	2	332.353	-2.926	1	0		EAAFLP
C[NH2+][C@H]1[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@H]2[C@H]([NH2+]C)[C@H]1O	ZINC000011592794	211224163	/nfs/dbraw/zinc/22/41/63/211224163.db2.gz	UNFWWIHTNXNPBV-PZSXJDRCSA-N	2	2	332.353	-2.926	1	0		EAAFLP
C[NH2+][C@@H]1[C@@H](O)[C@H]([NH2+]C)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@H]21	ZINC000011592795	211223921	/nfs/dbraw/zinc/22/39/21/211223921.db2.gz	UNFWWIHTNXNPBV-GWIQUZMDSA-N	2	2	332.353	-2.926	1	0		EAAFLP
C[NH2+]CC[NH2+]C[C@H]1O[C@@H](n2c(C)nc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040915108	213399491	/nfs/dbraw/zinc/39/94/91/213399491.db2.gz	WOZXSUBFHZHWHJ-IDTAVKCVSA-N	2	2	337.384	-1.855	1	0		EAAFLP
C[NH2+][C@H]1[C@H](O)[C@H]2O[C@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@@H]([NH2+]C)[C@H]1O	ZINC000086865163	277042574	/nfs/dbraw/zinc/04/25/74/277042574.db2.gz	UNFWWIHTNXNPBV-LQGJOULDSA-N	2	2	332.353	-2.926	2	0		EAAFLP