smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(F)c(N2CCN[C@H](C)C2)cc2c1c(=O)c(C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)cn2C1CC1	ZINC000004099173	561693996	/nfs/dbraw/zinc/69/39/96/561693996.db2.gz	XFRNDEMKHRYQIZ-JOEDWKEFSA-N	-1	3	535.525	-0.369	10	0	in-vitro	KBAEHM
Cc1c(F)c(N2CCN[C@@H](C)C2)cc2c1c(=O)c(C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)cn2C1CC1	ZINC000004099174	561693962	/nfs/dbraw/zinc/69/39/62/561693962.db2.gz	XFRNDEMKHRYQIZ-UTJDGXPBSA-N	-1	3	535.525	-0.369	10	0	in-vitro	KBAEHM
CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000026645106	561807331	/nfs/dbraw/zinc/80/73/31/561807331.db2.gz	AQRHIPGLXCUEQO-QEFISFJRSA-N	-1	3	516.599	-0.223	10	0		KBAEHM
C[C@H]1Sc2c(C(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21	ZINC000077319951	553665201	/nfs/dbraw/zinc/66/52/01/553665201.db2.gz	UBVMKQULGWERHE-PPJWJFPZSA-N	-1	3	525.511	-0.777	10	0	in-vitro	KBAEHM
C[C@@H]1Sc2c(C(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21	ZINC000077319953	553665046	/nfs/dbraw/zinc/66/50/46/553665046.db2.gz	UBVMKQULGWERHE-YWEHVWDMSA-N	-1	3	525.511	-0.777	10	0	in-vitro	KBAEHM
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](OC(=O)c1cc(OC)c([O-])c(OC)c1)C[C@]2(C)OC(C)=O	ZINC000084652135	562746411	/nfs/dbraw/zinc/74/64/11/562746411.db2.gz	UYVOQGVJJDNTHV-IOOZZJQLSA-N	-1	3	628.580	-0.878	10	0		KBAEHM
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000163137838	571532499	/nfs/dbraw/zinc/53/24/99/571532499.db2.gz	OOPCKMOYWNFHCN-GLJFKPTESA-N	-1	3	776.933	-0.691	10	0		KBAEHM