smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)([C@@H]2C=Nc3c2ncn([C@]2(OC(C)=O)CO[C@H](COC(C)=O)[C@@H]2OC(C)=O)c3=O)[C@H]1OC(C)=O	ZINC000004293761	552457427	/nfs/dbraw/zinc/45/74/27/552457427.db2.gz	OGSRTYDKAWSEBQ-XTMYMEDESA-N	0	2	651.578	-0.652	40	0		KBABLN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O	ZINC000004293764	552457431	/nfs/dbraw/zinc/45/74/31/552457431.db2.gz	OGSRTYDKAWSEBQ-IFBNPBOYSA-N	0	2	651.578	-0.652	40	0		KBABLN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)([C@@H]2C=Nc3c2ncn([C@]2(OC(C)=O)CO[C@H](COC(C)=O)[C@@H]2OC(C)=O)c3=O)[C@@H]1OC(C)=O	ZINC000004293767	552457425	/nfs/dbraw/zinc/45/74/25/552457425.db2.gz	OGSRTYDKAWSEBQ-UCUOQIANSA-N	0	2	651.578	-0.652	40	0		KBABLN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O	ZINC000004293768	552457454	/nfs/dbraw/zinc/45/74/54/552457454.db2.gz	OGSRTYDKAWSEBQ-JBQOYUSASA-N	0	2	651.578	-0.652	40	0		KBABLN
CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC[C@@H]2O3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004403073	552458768	/nfs/dbraw/zinc/45/87/68/552458768.db2.gz	FRBBVUORQLNNAB-SQHUCWOWSA-N	0	2	532.495	-0.270	40	0		KBABLN
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(C)C)C(N)=O	ZINC000150340156	571457772	/nfs/dbraw/zinc/45/77/72/571457772.db2.gz	FDJOMAIZVIIHGU-XLJSZMODSA-N	0	2	812.011	-0.496	40	0		KBABLN
O=C1C[C@@H]2O[C@H](C[NH+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CCOCC3)N1)[C@@H](O)[C@H]2O	ZINC000225444115	571814916	/nfs/dbraw/zinc/81/49/16/571814916.db2.gz	PWJJJPZCMYCKKK-NRTHNPGXSA-N	0	2	594.656	-0.375	40	0		KBABLN