smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@](C)(O)C/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097560	560194771	/nfs/dbraw/zinc/19/47/71/560194771.db2.gz	JEOJIKMFKHSAJU-XVGGJBPNSA-N	-1	0	405.447	-1.797	1	30	in-vitro	HAEFRM
CSCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097567	291157840	/nfs/dbraw/zinc/15/78/40/291157840.db2.gz	ZCZCVJVUJGULMO-IIPHORNXSA-N	-1	0	407.488	-1.204	1	30	biogenic,in-vitro	HAEFRM
C=CC[C@H](O)C/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097571	560194754	/nfs/dbraw/zinc/19/47/54/560194754.db2.gz	ZEGLQSKFSKZGRO-GLVOHVGASA-N	-1	0	403.431	-2.021	1	30	in-vitro	HAEFRM
O=S(=O)([O-])O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013536219	291160368	/nfs/dbraw/zinc/16/03/68/291160368.db2.gz	QQGLQYQXUKHWPX-RFEZBLSLSA-N	-1	0	409.438	-1.105	1	30	biogenic,in-vitro	HAEFRM
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1CC(=O)OC	ZINC000034650803	291152136	/nfs/dbraw/zinc/15/21/36/291152136.db2.gz	UVIHEQDHSJMULB-PEYNGXJCSA-N	-1	0	404.368	-1.891	1	30	biogenic,in-vitro	HAEFRM
C=CC[C@@H](O)C/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038792096	291151654	/nfs/dbraw/zinc/15/16/54/291151654.db2.gz	ZEGLQSKFSKZGRO-PECHITBASA-N	-1	0	403.431	-2.021	1	30	biogenic,in-vitro	HAEFRM
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000059585801	291151911	/nfs/dbraw/zinc/15/19/11/291151911.db2.gz	CQJIXOOCDOLYBS-DTKZBXCDSA-N	-1	0	402.396	-1.432	1	30	biogenic,in-vitro	HAEFRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000070454408	291160764	/nfs/dbraw/zinc/16/07/64/291160764.db2.gz	QQGLQYQXUKHWPX-GAWQQHLWSA-N	-1	0	409.438	-1.105	1	30	biogenic,in-vitro	HAEFRM