smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(O)c-3c(=O)c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665253	553596027	/nfs/dbraw/zinc/59/60/27/553596027.db2.gz	MVWBYZZUZQBMFZ-IJELJUKBSA-N	0	2	531.470	-0.263	40	10		KBCBLN
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(O)c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665259	553596066	/nfs/dbraw/zinc/59/60/66/553596066.db2.gz	MVWBYZZUZQBMFZ-UJZPCYGSSA-N	0	2	531.470	-0.263	40	10		KBCBLN
O=C1NC(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1	ZINC000103766620	555473405	/nfs/dbraw/zinc/47/34/05/555473405.db2.gz	UAYRTTXOZVQRST-UHFFFAOYSA-N	0	2	573.544	-0.004	40	10		KBCBLN
CCOC(=O)CNC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(O)c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000217361501	571600882	/nfs/dbraw/zinc/60/08/82/571600882.db2.gz	MVWBYZZUZQBMFZ-LYVDORBWSA-N	0	2	531.470	-0.263	40	10		KBCBLN