smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]N=C3C(=O)[N-]C(=O)NC3=O)nc2)C1	ZINC000814215515	1070878055	/nfs/dbraw/zinc/87/80/55/1070878055.db2.gz	QWVRXXHVCYQQNB-AOOOYVTPSA-N	-2	1	408.440	-0.118	20	30		HBEDML
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]N=C3C(=O)[N-]C(=O)NC3=O)nc2)C1	ZINC000814215518	1070877958	/nfs/dbraw/zinc/87/79/58/1070877958.db2.gz	QWVRXXHVCYQQNB-NXEZZACHSA-N	-2	1	408.440	-0.118	20	30		HBEDML
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]N=C3C(=O)[N-]C(=O)NC3=O)nc2)C1	ZINC000814215519	1070877664	/nfs/dbraw/zinc/87/76/64/1070877664.db2.gz	QWVRXXHVCYQQNB-UWVGGRQHSA-N	-2	1	408.440	-0.118	20	30		HBEDML
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178371425	1071285170	/nfs/dbraw/zinc/28/51/70/1071285170.db2.gz	BNEQEJIGCXQURW-UHFFFAOYSA-N	-2	1	401.339	-0.251	20	30		HBEDML
N#Cc1cn(CC[N-]S(=O)(=O)c2ncccc2Br)c(=O)[n-]c1=O	ZINC001192714998	1071671988	/nfs/dbraw/zinc/67/19/88/1071671988.db2.gz	IGOOJHHUGKWWQX-UHFFFAOYSA-N	-2	1	400.214	-0.043	20	30		HBEDML