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)[C@]1(N)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000003780800	554470973	/nfs/dbraw/zinc/47/09/73/554470973.db2.gz	VJZITPJGSQKZMX-XDPRQOKASA-N	-1	3	483.473	0.632	40	10	world	JCCBHM
O=C1c2ccccc2C(=O)c2c(O)c3c(c([O-])c21)[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCC3	ZINC000005004178	569588337	/nfs/dbraw/zinc/58/83/37/569588337.db2.gz	LZBRZZGMLLMEKI-BJLBJFJJSA-N	-1	3	472.446	0.067	40	10		JCCBHM
O=C1c2ccccc2C(=O)c2c(O)c3c(c([O-])c21)[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCC3	ZINC000005004179	569588339	/nfs/dbraw/zinc/58/83/39/569588339.db2.gz	LZBRZZGMLLMEKI-RZNRAPNUSA-N	-1	3	472.446	0.067	40	10		JCCBHM
O=C1c2ccccc2C(=O)c2c(O)c3c(c([O-])c21)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCC3	ZINC000005004180	569588335	/nfs/dbraw/zinc/58/83/35/569588335.db2.gz	LZBRZZGMLLMEKI-SXKDVJDWSA-N	-1	3	472.446	0.067	40	10		JCCBHM
O=C1c2ccccc2C(=O)c2c(O)c3c(c([O-])c21)[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCC3	ZINC000005004181	569588333	/nfs/dbraw/zinc/58/83/33/569588333.db2.gz	LZBRZZGMLLMEKI-LTJRKLNXSA-N	-1	3	472.446	0.067	40	10		JCCBHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000015218516	555884929	/nfs/dbraw/zinc/88/49/29/555884929.db2.gz	NHXZIQDBDDRLNV-JJDSTIRJSA-N	-1	3	454.395	0.449	40	10		JCCBHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000100090063	569752769	/nfs/dbraw/zinc/75/27/69/569752769.db2.gz	NHXZIQDBDDRLNV-IAGYGMIVSA-N	-1	3	454.395	0.449	40	10		JCCBHM