smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cc3c(cc2c(=O)n1-c1c[nH]c(=O)[n-]c1=O)c(=O)n(-c1c[nH]c(=O)[n-]c1=O)c3=O	ZINC000003146431	557144289	/nfs/dbraw/zinc/14/42/89/557144289.db2.gz	SYIBYMAPHBMHLL-UHFFFAOYSA-N	-2	3	436.296	-3.356	50	0		IAAAHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004261903	555980106	/nfs/dbraw/zinc/98/01/06/555980106.db2.gz	JPXZQMKKFWMMGK-KQYNXXCUSA-N	-4	3	428.187	-2.035	50	0	endogenous,in-man	IAAAHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000012503113	527576780	/nfs/dbraw/zinc/57/67/80/527576780.db2.gz	OLCWZBFDIYXLAA-ICQCTTRCSA-N	-3	3	425.231	-1.635	50	0		IAAAHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000013527614	562991796	/nfs/dbraw/zinc/99/17/96/562991796.db2.gz	OLCWZBFDIYXLAA-IOSLPCCCSA-N	-3	3	425.231	-1.635	50	0	in-vivo	IAAAHL
COc1c2c(cc3c1CC1(C(=O)[N-]C(=O)NC1=O)[C@@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410917	569363999	/nfs/dbraw/zinc/36/39/99/569363999.db2.gz	SWDGHHQSMVVZQD-MRVPVSSYSA-N	-2	3	444.356	-1.259	50	0		IAAAHL
COc1c2c(cc3c1CC1(C(=O)[N-]C(=O)NC1=O)[C@H](c1c([O-])[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410920	569363936	/nfs/dbraw/zinc/36/39/36/569363936.db2.gz	SWDGHHQSMVVZQD-QMMMGPOBSA-N	-2	3	444.356	-1.259	50	0		IAAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1	ZINC000033327137	557109067	/nfs/dbraw/zinc/10/90/67/557109067.db2.gz	KIIUVCWGLGUPFA-UHFFFAOYSA-N	-2	3	430.464	-1.025	50	0		IAAAHL
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000095921560	568936699	/nfs/dbraw/zinc/93/66/99/568936699.db2.gz	JPXZQMKKFWMMGK-DEGSGYPDSA-N	-4	3	428.187	-2.035	50	0		IAAAHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])CP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000105469665	557331433	/nfs/dbraw/zinc/33/14/33/557331433.db2.gz	OLCWZBFDIYXLAA-GZCUOZMLSA-N	-3	3	425.231	-1.635	50	0		IAAAHL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])CP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000219330894	569258989	/nfs/dbraw/zinc/25/89/89/569258989.db2.gz	OLCWZBFDIYXLAA-LEIICMHDSA-N	-3	3	425.231	-1.635	50	0		IAAAHL