smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(N)c(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(=O)n(C)c1=O	ZINC000003415751	568899138	/nfs/dbraw/zinc/89/91/38/568899138.db2.gz	QUDBWBPCFPVRBH-UHFFFAOYSA-N	-1	0	413.390	-0.170	10	0		HBAERM
COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@@H](NC(=O)COCC(=O)[O-])CCN3C2=O)cc1	ZINC000003839797	291166686	/nfs/dbraw/zinc/16/66/86/291166686.db2.gz	SOBYTZUIEMJQSI-BPUTZDHNSA-N	-1	0	419.434	-0.687	10	0		HBAERM
CCC(=O)O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000004096990	571685457	/nfs/dbraw/zinc/68/54/57/571685457.db2.gz	ZGNGGJLVZZHLQM-ZRFIDHNTSA-N	-1	0	403.288	-0.902	10	0	endogenous,in-man	HBAERM
CCCC(=O)O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000004097117	560194387	/nfs/dbraw/zinc/19/43/87/560194387.db2.gz	OZEQQZFAGTZYSQ-FRJWGUMJSA-N	-1	0	418.299	-0.801	10	0	in-vitro	HBAERM
Cn1cnc2c1c(=O)n(CCCn1nc(C(=O)[O-])c3ccccc3c1=O)c(=O)n2C	ZINC000009714954	571281604	/nfs/dbraw/zinc/28/16/04/571281604.db2.gz	XHUHOVKVVGMKJU-UHFFFAOYSA-N	-1	0	410.390	-0.068	10	0		HBAERM
CC(=O)OC[C@H]1O[C@@H](SCC(=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000020310497	558355066	/nfs/dbraw/zinc/35/50/66/558355066.db2.gz	JRBJUJMGVZJRDN-JZYAIQKZSA-N	-1	0	422.408	-0.113	10	0		HBAERM
CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000032106951	569357812	/nfs/dbraw/zinc/35/78/12/569357812.db2.gz	RODRARKLKSOSPM-SYLRKERUSA-N	-1	0	415.317	-0.169	10	0		HBAERM
C[C@@H](O)[C@@H](C(=O)[O-])[C@@H]1N=C(C(=O)[O-])[C@@H](S[C@@H]2C[NH2+][C@H](C(=O)N(C)C)C2)[C@@H]1C	ZINC000034104691	558772969	/nfs/dbraw/zinc/77/29/69/558772969.db2.gz	CDYPSIIDXKMBLV-CFINEGTKSA-N	-1	0	401.485	-0.468	10	0	in-vitro	HBAERM
C[C@@H](O)[C@@H](C(=O)[O-])[C@H]1N=C(C(=O)[O-])[C@@H](S[C@@H]2C[NH2+][C@H](C(=O)N(C)C)C2)[C@@H]1C	ZINC000034104693	558772933	/nfs/dbraw/zinc/77/29/33/558772933.db2.gz	CDYPSIIDXKMBLV-KAJXCUDWSA-N	-1	0	401.485	-0.468	10	0	in-vitro	HBAERM