smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)cc(C(C)C)c(O)c1C[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000095612740	553705775	/nfs/dbraw/zinc/70/57/75/553705775.db2.gz	VWUBLPRLXIMEGH-LSWMGQQCSA-N	-4	2	756.827	3.797	40	30		KHEBLL
Cc1c(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)cc(C(C)C)c(O)c1C[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000095713108	553709704	/nfs/dbraw/zinc/70/97/04/553709704.db2.gz	VWUBLPRLXIMEGH-ROMHNNFLSA-N	-4	2	756.827	3.797	40	30		KHEBLL
O=C([O-])[C@H](CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000098001576	554052880	/nfs/dbraw/zinc/05/28/80/554052880.db2.gz	PONCGVRGQGMXEF-YFKPBYRVSA-N	-2	2	538.232	3.508	40	30		KHEBLL
O=C([O-])[C@@H](CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000098001577	554052828	/nfs/dbraw/zinc/05/28/28/554052828.db2.gz	PONCGVRGQGMXEF-RXMQYKEDSA-N	-2	2	538.232	3.508	40	30		KHEBLL
Cc1c(C[NH+](CC(=O)[O-])CC(=O)[O-])c(O)c(C(C)C)cc1[C@@]1(c2ccc(C(C)C)c(O)c2CN(CC(=O)[O-])CC(=O)[O-])OS(=O)(=O)c2ccccc21	ZINC000575623560	1066491666	/nfs/dbraw/zinc/49/16/66/1066491666.db2.gz	BMVRNYMDRDJROV-BHVANESWSA-N	-3	2	742.800	3.606	40	30	in-vitro	KHEBLL
Cc1c(C[NH+](CC(=O)[O-])CC(=O)[O-])c(O)c(C(C)C)cc1[C@@]1(c2ccc(C(C)C)c(O)c2C[NH+](CC(=O)[O-])CC(=O)[O-])OS(=O)(=O)c2ccccc21	ZINC000575623560	1066491656	/nfs/dbraw/zinc/49/16/56/1066491656.db2.gz	BMVRNYMDRDJROV-BHVANESWSA-N	-2	2	742.800	3.606	40	30	in-vitro	KHEBLL
Cc1c(C[NH+](CC(=O)[O-])CC(=O)[O-])c(O)c(C(C)C)cc1[C@]1(c2ccc(C(C)C)c(O)c2CN(CC(=O)[O-])CC(=O)[O-])OS(=O)(=O)c2ccccc21	ZINC000575623561	1066491508	/nfs/dbraw/zinc/49/15/08/1066491508.db2.gz	BMVRNYMDRDJROV-PSXMRANNSA-N	-3	2	742.800	3.606	40	30	in-vitro	KHEBLL
Cc1c(C[NH+](CC(=O)[O-])CC(=O)[O-])c(O)c(C(C)C)cc1[C@]1(c2ccc(C(C)C)c(O)c2C[NH+](CC(=O)[O-])CC(=O)[O-])OS(=O)(=O)c2ccccc21	ZINC000575623561	1066491496	/nfs/dbraw/zinc/49/14/96/1066491496.db2.gz	BMVRNYMDRDJROV-PSXMRANNSA-N	-2	2	742.800	3.606	40	30	in-vitro	KHEBLL