smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101763525	570833382	/nfs/dbraw/zinc/83/33/82/570833382.db2.gz	DCMKEUDRZSORTA-GFCCVEGCSA-N	-2	3	389.437	2.758	50	5		GFBAHL
CCCCn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[n-]c1=S	ZINC000101495445	570825602	/nfs/dbraw/zinc/82/56/02/570825602.db2.gz	MCEZXNCIZBSDSQ-GFCCVEGCSA-N	-2	3	389.437	2.758	50	5		GFBAHL
CCCCn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]c1=S	ZINC000101763522	570833478	/nfs/dbraw/zinc/83/34/78/570833478.db2.gz	DCMKEUDRZSORTA-LBPRGKRZSA-N	-2	3	389.437	2.758	50	5		GFBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000020255299	597039623	/nfs/dbraw/zinc/03/96/23/597039623.db2.gz	DTPDHMMUDKUWGG-UHFFFAOYSA-N	-2	3	379.394	2.509	50	5		GFBAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000005652808	204144803	/nfs/dbraw/zinc/14/48/03/204144803.db2.gz	CWLFSXZCOQZLCM-UHFFFAOYSA-N	-2	3	391.405	2.694	50	5		GFBAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OCC	ZINC000012521261	570828007	/nfs/dbraw/zinc/82/80/07/570828007.db2.gz	DRJYWRLRUNLWMV-UHFFFAOYSA-N	-2	3	382.394	2.899	50	5		GFBAHL
O=c1nc(C=Cc2ccccc2OCc2ccccc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013592679	570659670	/nfs/dbraw/zinc/65/96/70/570659670.db2.gz	GDQGEUVCDSEEQM-MDZDMXLPSA-N	-2	3	383.335	2.860	50	5		GFBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000004134537	209082292	/nfs/dbraw/zinc/08/22/92/209082292.db2.gz	LWSOOILSFLGAJX-CYBMUJFWSA-N	-2	3	384.797	2.743	50	5		GFBAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000004134538	570961225	/nfs/dbraw/zinc/96/12/25/570961225.db2.gz	LWSOOILSFLGAJX-ZDUSSCGKSA-N	-2	3	384.797	2.743	50	5		GFBAHL
CCCCn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[n-]c1=S	ZINC000101495440	570825522	/nfs/dbraw/zinc/82/55/22/570825522.db2.gz	MCEZXNCIZBSDSQ-LBPRGKRZSA-N	-2	3	389.437	2.758	50	5		GFBAHL