smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)CC1	ZINC000077287227	553659119	/nfs/dbraw/zinc/65/91/19/553659119.db2.gz	YLNYEZQRRIKMQF-SEKWWFCFSA-N	0	2	589.642	-0.430	10	0	in-vitro	KBAELN
Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)CC1	ZINC000077287229	553659176	/nfs/dbraw/zinc/65/91/76/553659176.db2.gz	YLNYEZQRRIKMQF-GRKMGSKISA-N	0	2	589.642	-0.430	10	0	in-vitro	KBAELN
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H]3OC(C)(C)O[C@H]32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077313348	553664484	/nfs/dbraw/zinc/66/44/84/553664484.db2.gz	FRBBVUORQLNNAB-FLWMQKIGSA-N	0	2	532.495	-0.270	10	0	in-vitro	KBAELN