smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1CCN([C@H]2[C@@H](C[NH2+]C3CC[NH+](C)CC3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465572	524561251	/nfs/dbraw/zinc/56/12/51/524561251.db2.gz	XKHNZIAOSKIOPJ-WZYRSQIMSA-N	2	1	434.581	-0.010	40	0	biogenic,in-vitro	IBABMP
COCC(=O)NC[C@]1(O)C[N@@H+](Cc2ccc(OCCC[NH+](C)C)c(OC)c2)C[C@H]1O	ZINC000585274447	568618689	/nfs/dbraw/zinc/61/86/89/568618689.db2.gz	XAPBUCYKTNRSOD-CTNGQTDRSA-N	2	1	425.526	-0.304	40	0		IBABMP
COCC(=O)NC[C@]1(O)C[N@H+](Cc2ccc(OCCC[NH+](C)C)c(OC)c2)C[C@H]1O	ZINC000585274447	568618685	/nfs/dbraw/zinc/61/86/85/568618685.db2.gz	XAPBUCYKTNRSOD-CTNGQTDRSA-N	2	1	425.526	-0.304	40	0		IBABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)ccc1OCCC[NH+](C)C	ZINC000585274599	568618362	/nfs/dbraw/zinc/61/83/62/568618362.db2.gz	YRPKUNNNRLVAJI-WOJBJXKFSA-N	2	1	445.582	-0.127	40	0		IBABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)ccc1OCCC[NH+](C)C	ZINC000585274599	568618359	/nfs/dbraw/zinc/61/83/59/568618359.db2.gz	YRPKUNNNRLVAJI-WOJBJXKFSA-N	2	1	445.582	-0.127	40	0		IBABMP