smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097563	560194768	/nfs/dbraw/zinc/19/47/68/560194768.db2.gz	GKUMMDFLKGFCKH-AHMUMSBHSA-N	-1	0	421.515	-0.814	1	30	in-vitro	HBEFRM
O=S(=O)([O-])O/N=C(/CCc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097572	560194764	/nfs/dbraw/zinc/19/47/64/560194764.db2.gz	CKIJIGYDFNXSET-OOMJLXHVSA-N	-1	0	423.465	-0.715	1	30	in-vitro	HBEFRM
O=S(=O)([O-])O/N=C(\CCc1ccccc1)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013546739	291170087	/nfs/dbraw/zinc/17/00/87/291170087.db2.gz	CKIJIGYDFNXSET-SORZBQEMSA-N	-1	0	423.465	-0.715	1	30	biogenic,in-vitro	HBEFRM
O=S(=O)([O-])O/N=C(\CCc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013546741	560219651	/nfs/dbraw/zinc/21/96/51/560219651.db2.gz	CKIJIGYDFNXSET-MFIRQCQASA-N	-1	0	423.465	-0.715	1	30	in-vitro	HBEFRM
CSCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000030160116	291167463	/nfs/dbraw/zinc/16/74/63/291167463.db2.gz	GKUMMDFLKGFCKH-KALKGZTMSA-N	-1	0	421.515	-0.814	1	30	biogenic,in-vitro	HBEFRM
C=C[C@](C)(CC/C=C(\C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O	ZINC000038281168	291161944	/nfs/dbraw/zinc/16/19/44/291161944.db2.gz	JYKCHVBKAYMQBC-AYSIWPMQSA-N	-1	0	412.457	-0.707	1	30	biogenic,in-vitro	HBEFRM
CCCCCC/C(=N/OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000059585866	291164063	/nfs/dbraw/zinc/16/40/63/291164063.db2.gz	NUTWTZOAYGJICT-QFKFZPLNSA-N	-1	0	403.475	-0.377	1	30	biogenic,in-vitro	HBEFRM
CSCCCC/C(=N/OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000059586783	291167444	/nfs/dbraw/zinc/16/74/44/291167444.db2.gz	GKUMMDFLKGFCKH-OAYIWYLISA-N	-1	0	421.515	-0.814	1	30	biogenic,in-vitro	HBEFRM
O=S(=O)([O-])O/N=C(/CCc1ccccc1)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000059587413	291170085	/nfs/dbraw/zinc/17/00/85/291170085.db2.gz	CKIJIGYDFNXSET-UZGXSKSYSA-N	-1	0	423.465	-0.715	1	30	biogenic,in-vitro	HBEFRM
C=C1C(=O)c2cc(OC)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C([O-])=C1C(C)=O	ZINC000085529988	291166691	/nfs/dbraw/zinc/16/66/91/291166691.db2.gz	GVMOOQOCLYWVKF-BNCZOOBYSA-N	-1	0	422.386	-0.842	1	30	biogenic,in-vitro	HBEFRM
C=C1CO[C@@H]2Oc3ccc(CCC(=O)[O-])c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[C@H]12	ZINC000095910584	291161943	/nfs/dbraw/zinc/16/19/43/291161943.db2.gz	AXYSIKOPDGEKMQ-QYWOBLHTSA-N	-1	0	424.402	-0.729	1	30	biogenic,in-vitro	HBEFRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000306122720	522032632	/nfs/dbraw/zinc/03/26/32/522032632.db2.gz	YFDKVMRBKPQWID-DZOXEBMKSA-N	-1	0	414.414	-0.036	2	30		HBEFRM