smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)O)c1C(=O)[O-]	ZINC000002040496	304239866	/nfs/dbraw/zinc/23/98/66/304239866.db2.gz	GCAIEATUVJFSMC-UHFFFAOYSA-N	-3	2	254.150	0.479	50	0		CCAALL
O=P([O-])(O)C(CNc1cccc(O)c1)[P@@](=O)([O-])O	ZINC000022340755	624823360	/nfs/dbraw/zinc/82/33/60/624823360.db2.gz	TXEQJUJUPGDOHB-UHFFFAOYSA-N	-2	2	297.140	0.486	50	0		CCAALL
O=P([O-])(O)C(CNc1cccc(O)c1)[P@](=O)([O-])O	ZINC000022340755	624823363	/nfs/dbraw/zinc/82/33/63/624823363.db2.gz	TXEQJUJUPGDOHB-UHFFFAOYSA-N	-2	2	297.140	0.486	50	0		CCAALL
O=P([O-])(O)C(COCc1ccccc1)[P@](=O)([O-])O	ZINC000022340767	624823368	/nfs/dbraw/zinc/82/33/68/624823368.db2.gz	PMWUJXVXGMZLGE-UHFFFAOYSA-N	-2	2	296.152	0.885	50	0		CCAALL
O=P([O-])(O)C(COCc1ccccc1)[P@@](=O)([O-])O	ZINC000022340767	624823370	/nfs/dbraw/zinc/82/33/70/624823370.db2.gz	PMWUJXVXGMZLGE-UHFFFAOYSA-N	-2	2	296.152	0.885	50	0		CCAALL
CCOC(=O)c1c(C(=O)[O-])[n-]c(C(=O)O)c1C(=O)OCC	ZINC000002519536	347967877	/nfs/dbraw/zinc/96/78/77/347967877.db2.gz	BFJDCLVUUNLIGT-UHFFFAOYSA-N	-2	2	299.235	0.765	50	0		CCAALL
CCCCCOCC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000075283852	349030736	/nfs/dbraw/zinc/03/07/36/349030736.db2.gz	YEPOQLVVNNSFKG-UHFFFAOYSA-N	-2	2	276.162	0.875	50	0		CCAALL
CCCCCOCC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000075283852	349030740	/nfs/dbraw/zinc/03/07/40/349030740.db2.gz	YEPOQLVVNNSFKG-UHFFFAOYSA-N	-2	2	276.162	0.875	50	0		CCAALL
O=P([O-])(O)C(Cc1cccnc1)[P@](=O)([O-])O	ZINC000026735782	388823443	/nfs/dbraw/zinc/82/34/43/388823443.db2.gz	KZMOFWIRXNQJET-UHFFFAOYSA-N	-2	2	267.114	0.306	50	0	in-vitro	CCAALL
O=P([O-])(O)C(Cc1cccnc1)[P@@](=O)([O-])O	ZINC000026735782	388823449	/nfs/dbraw/zinc/82/34/49/388823449.db2.gz	KZMOFWIRXNQJET-UHFFFAOYSA-N	-2	2	267.114	0.306	50	0	in-vitro	CCAALL
CCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000003075226	347976822	/nfs/dbraw/zinc/97/68/22/347976822.db2.gz	VXYOTIXPEUMUSS-UHFFFAOYSA-N	-2	2	261.151	0.359	50	0	biogenic	CCAALL
CCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000003075226	347976831	/nfs/dbraw/zinc/97/68/31/347976831.db2.gz	VXYOTIXPEUMUSS-UHFFFAOYSA-N	-2	2	261.151	0.359	50	0	biogenic	CCAALL