smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)[C@H](C)CCC3	ZINC000004294326	181093582	/nfs/dbraw/zinc/09/35/82/181093582.db2.gz	YZIJHBNQQSQVSB-SECBINFHSA-N	-1	0	319.430	3.716	30	0		DHACRM
O=C([O-])/C=C/c1c(-c2ccc(F)cc2)nc2ccc(Cl)cn21	ZINC000002599711	563914063	/nfs/dbraw/zinc/91/40/63/563914063.db2.gz	MWAUKOBYHNHJBI-SOFGYWHQSA-N	-1	0	316.719	3.892	30	0		DHACRM
O=C([O-])CCn1c2ccccc2nc1Cc1ccc(Cl)cc1	ZINC000004243837	563868800	/nfs/dbraw/zinc/86/88/00/563868800.db2.gz	UHLFBFNMCFTIRI-UHFFFAOYSA-N	-1	0	314.772	3.755	30	0		DHACRM
Cc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)[C@@H](C)CCC3	ZINC000004294325	181093584	/nfs/dbraw/zinc/09/35/84/181093584.db2.gz	YZIJHBNQQSQVSB-VIFPVBQESA-N	-1	0	319.430	3.716	30	0		DHACRM
O=c1[n-]c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)cc1	ZINC000015444192	182002560	/nfs/dbraw/zinc/00/25/60/182002560.db2.gz	HONQHFAQBIMKBW-UHFFFAOYSA-N	-1	0	313.360	3.895	30	0		DHACRM
Fc1cc([S-])c(Br)c(F)c1Br	ZINC000036533058	563455512	/nfs/dbraw/zinc/45/55/12/563455512.db2.gz	CCOOOUJMEHIXKL-UHFFFAOYSA-N	-1	0	303.953	3.779	30	0		DHACRM
Fc1cc(Br)c(F)c([S-])c1Br	ZINC000067800200	563456951	/nfs/dbraw/zinc/45/69/51/563456951.db2.gz	NDXSEWXEFRGQBL-UHFFFAOYSA-N	-1	0	303.953	3.779	30	0		DHACRM