smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002561119	557356595	/nfs/dbraw/zinc/35/65/95/557356595.db2.gz	WVHUFSCKCBQKJW-HKUYNNGSSA-N	-1	1	424.457	0.672	10	0		HCAEMM
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002561125	557730813	/nfs/dbraw/zinc/73/08/13/557730813.db2.gz	ULHJJQYGMWONTD-HKUYNNGSSA-N	-1	1	424.457	0.672	10	0		HCAEMM
CC(C)CN(C(=O)CN1CCC(C(=O)[O-])CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000014185489	558630462	/nfs/dbraw/zinc/63/04/62/558630462.db2.gz	IOEMDKBZZZTERO-UHFFFAOYSA-N	-1	1	423.514	0.560	10	0		HCAEMM
CN1CCc2c([n-]c(=N[N+](=O)[O-])nc2-c2nc(=N[N+](=O)[O-])[n-]c3c2C[N@@H+](C)CC3)C1	ZINC000048553354	569358952	/nfs/dbraw/zinc/35/89/52/569358952.db2.gz	JGKYIUSJYIWUSU-UHFFFAOYSA-N	-1	1	416.402	0.117	10	0		HCAEMM
CN1CCc2c([n-]c(=N[N+](=O)[O-])nc2-c2nc(=N[N+](=O)[O-])[n-]c3c2C[N@H+](C)CC3)C1	ZINC000048553354	569358950	/nfs/dbraw/zinc/35/89/50/569358950.db2.gz	JGKYIUSJYIWUSU-UHFFFAOYSA-N	-1	1	416.402	0.117	10	0		HCAEMM
CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O	ZINC000103549678	559156267	/nfs/dbraw/zinc/15/62/67/559156267.db2.gz	UDUUYIGIIYZTEL-UHFFFAOYSA-N	-1	1	413.253	0.638	10	0		HCAEMM