smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=CN[C@@H](Cc1ccc(O)c(-c2cc(C[C@H](NC=O)C(=O)[O-])ccc2O)c1)C(=O)[O-]	ZINC000013310239	560214245	/nfs/dbraw/zinc/21/42/45/560214245.db2.gz	OUNKRBSXIMLJRR-HOTGVXAUSA-N	-2	0	416.386	0.248	1	0	in-vitro,metabolite	HCAFRL
O=CN[C@H](Cc1ccc(O)c(-c2cc(C[C@H](NC=O)C(=O)[O-])ccc2O)c1)C(=O)[O-]	ZINC000013310244	560214224	/nfs/dbraw/zinc/21/42/24/560214224.db2.gz	OUNKRBSXIMLJRR-IYBDPMFKSA-N	-2	0	416.386	0.248	1	0	in-vitro,metabolite	HCAFRL
O=CN[C@H](Cc1ccc(O)c(-c2cc(C[C@@H](NC=O)C(=O)[O-])ccc2O)c1)C(=O)[O-]	ZINC000013310246	560214176	/nfs/dbraw/zinc/21/41/76/560214176.db2.gz	OUNKRBSXIMLJRR-HZPDHXFCSA-N	-2	0	416.386	0.248	1	0	in-vitro,metabolite	HCAFRL
CNc1nc(Cl)nc2c1ncn2C(COP(=O)([O-])[O-])COP(=O)([O-])[O-]	ZINC000013864014	560220775	/nfs/dbraw/zinc/22/07/75/560220775.db2.gz	QVRLIRWXYXQYQU-UHFFFAOYSA-N	-4	0	417.639	0.281	1	0	in-vitro	HCAFRL