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]1O[C@@H](c2nn[n-]n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008626833	569389949	/nfs/dbraw/zinc/38/99/49/569389949.db2.gz	VKNLELDKGFXCBY-MBJXGIAVSA-N	-1	1	400.344	-1.002	50	0		HAAAMM
CC(=O)OC[C@H]1O[C@@H](c2nn[n-]n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012339479	558385998	/nfs/dbraw/zinc/38/59/98/558385998.db2.gz	VKNLELDKGFXCBY-RKQHYHRCSA-N	-1	1	400.344	-1.002	50	0		HAAAMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000012775435	568954250	/nfs/dbraw/zinc/95/42/50/568954250.db2.gz	KRZSETRVMSHYIK-SNVBAGLBSA-N	-1	1	416.437	-1.651	50	0		HAAAMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000012775440	568954231	/nfs/dbraw/zinc/95/42/31/568954231.db2.gz	KRZSETRVMSHYIK-JTQLQIEISA-N	-1	1	416.437	-1.651	50	0		HAAAMM
CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000014101722	569258621	/nfs/dbraw/zinc/25/86/21/569258621.db2.gz	ZVLCFCINHMWDSN-UHFFFAOYSA-N	-1	1	416.481	-1.187	50	0		HAAAMM
C[C@@H](O)[C@@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000239038525	569053954	/nfs/dbraw/zinc/05/39/54/569053954.db2.gz	DJKRCSNNLAQGCO-ATIUZVCESA-N	-1	1	424.454	-2.512	50	0		HAAAMM
C[C@@H](O)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000239038526	569053948	/nfs/dbraw/zinc/05/39/48/569053948.db2.gz	DJKRCSNNLAQGCO-AYCUNASISA-N	-1	1	424.454	-2.512	50	0		HAAAMM
C[C@H](O)[C@@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000239038527	569053956	/nfs/dbraw/zinc/05/39/56/569053956.db2.gz	DJKRCSNNLAQGCO-LTDJIEQWSA-N	-1	1	424.454	-2.512	50	0		HAAAMM
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@H](C)O)C(=O)[O-]	ZINC000239038528	569053971	/nfs/dbraw/zinc/05/39/71/569053971.db2.gz	DJKRCSNNLAQGCO-PVOYIKSTSA-N	-1	1	424.454	-2.512	50	0		HAAAMM