smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013387744	560216346	/nfs/dbraw/zinc/21/63/46/560216346.db2.gz	NNTXFOAPABMVEG-QWRGUYRKSA-N	0	0	369.374	-1.113	1	10	in-vitro	FACFRN
[NH3+]CCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000013387745	560216286	/nfs/dbraw/zinc/21/62/86/560216286.db2.gz	NNTXFOAPABMVEG-WDEREUQCSA-N	0	0	369.374	-1.113	1	10	in-vitro	FACFRN
[NH3+]CCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000013387746	560216339	/nfs/dbraw/zinc/21/63/39/560216339.db2.gz	NNTXFOAPABMVEG-GHMZBOCLSA-N	0	0	369.374	-1.113	1	10	in-vitro	FACFRN
CC(=O)N[C@H]1[C@H]([C@H](N=[N+]=[N-])[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000013443790	207460943	/nfs/dbraw/zinc/46/09/43/207460943.db2.gz	WBRKSUZUTOIKFH-UFGQHTETSA-N	0	0	357.327	-2.258	1	10		FACFRN
NC(=O)NN=Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)n1	ZINC000013517359	211038244	/nfs/dbraw/zinc/03/82/44/211038244.db2.gz	WKDODQMRRMLXCA-UUOKFMHZSA-N	0	0	353.299	-2.122	1	10		FACFRN
COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	ZINC000015249563	291019163	/nfs/dbraw/zinc/01/91/63/291019163.db2.gz	RQUDYYZIFCIQQF-XWLWVQCSSA-N	0	0	358.255	-1.851	1	10	endogenous,in-man	FACFRN
C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@@H](O)[C@@H]2OCO[C@@H]2[C@H](O)[C@H]1O	ZINC000029328507	211509412	/nfs/dbraw/zinc/50/94/12/211509412.db2.gz	MYTVZAAGQFUGTL-JHMZWNJJSA-N	0	0	367.354	-1.176	1	10		FACFRN
COC(=O)[C@@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O	ZINC000039095126	291019140	/nfs/dbraw/zinc/01/91/40/291019140.db2.gz	DTDWLEXEERIYFQ-UKKRHICBSA-N	0	0	358.255	-1.851	1	10	biogenic,in-vitro	FACFRN