smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1CC=O	ZINC000004095755	560193553	/nfs/dbraw/zinc/19/35/53/560193553.db2.gz	PUEUIRDVQIKCCG-ZASXJUAOSA-N	-1	0	374.342	-1.865	10	30	in-vitro	FAEERM
C=CCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097570	560194773	/nfs/dbraw/zinc/19/47/73/560194773.db2.gz	PLYQBXHVYUJNQB-BZVDQRPCSA-N	-1	0	373.405	-1.381	10	30	in-vitro	FAEERM
O=C([O-])[C@@]1(O)C[C@@H](OC(=O)/C=C\C2=CC(=O)C(=O)C=C2)[C@@H](O)[C@@H](O)C1	ZINC000013382433	574413215	/nfs/dbraw/zinc/41/32/15/574413215.db2.gz	ITENTBHADJNDDH-WMDQJISTSA-N	-1	0	352.295	-1.580	10	30	endogenous,in-man	FAEERM
O=C([O-])[C@@]1(O)C[C@@H](OC(=O)/C=C\C2=CC(=O)C(=O)C=C2)[C@H](O)[C@@H](O)C1	ZINC000013382435	220065731	/nfs/dbraw/zinc/06/57/31/220065731.db2.gz	ITENTBHADJNDDH-BULNTCMRSA-N	-1	0	352.295	-1.580	10	30	endogenous,in-man	FAEERM
NC(=[NH2+])Nc1nc(C[S@](=O)CCC(=O)[N-]S(N)(=O)=O)cs1	ZINC000022056694	220376040	/nfs/dbraw/zinc/37/60/40/220376040.db2.gz	SOOLGLOWIWDUSE-FQEVSTJZSA-N	-1	0	354.439	-1.994	10	30	in-vitro	FAEERM
O=C(C[C@H](CN1C(=O)C=CC1=O)S(=O)(=O)[O-])ON1C(=O)CCC1=O	ZINC000115280375	482550301	/nfs/dbraw/zinc/55/03/01/482550301.db2.gz	JMCDQAPTSFFLQA-SSDOTTSWSA-N	-1	0	360.300	-1.835	10	30		FAEERM
O=C(C[C@@H](CN1C(=O)C=CC1=O)S(=O)(=O)[O-])ON1C(=O)CCC1=O	ZINC000115280376	482550594	/nfs/dbraw/zinc/55/05/94/482550594.db2.gz	JMCDQAPTSFFLQA-ZETCQYMHSA-N	-1	0	360.300	-1.835	10	30		FAEERM
C=CCOCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1	ZINC000262964316	483311370	/nfs/dbraw/zinc/31/13/70/483311370.db2.gz	QRWQGLALWCDKQD-LLVKDONJSA-N	-1	0	350.393	-1.237	10	30		FAEERM
C=CCOCC(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1	ZINC000262964319	483311176	/nfs/dbraw/zinc/31/11/76/483311176.db2.gz	QRWQGLALWCDKQD-NSHDSACASA-N	-1	0	350.393	-1.237	10	30		FAEERM