smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000095347225	208155420	/nfs/dbraw/zinc/15/54/20/208155420.db2.gz	ABHXLZDYRXEBQI-UHFFFAOYSA-N	-2	0	397.387	3.373	50	5		GGBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1	ZINC000016214823	210187567	/nfs/dbraw/zinc/18/75/67/210187567.db2.gz	LUXNFPDWFZDOAP-CSKARUKUSA-N	-2	0	395.371	3.142	50	5		GGBARL
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000100502064	211385757	/nfs/dbraw/zinc/38/57/57/211385757.db2.gz	NWVHYNFOSVRLGD-UHFFFAOYSA-N	-2	0	397.387	3.373	50	5		GGBARL
O=c1[n-]c(C=Cc2ccc(OCc3cccc(F)c3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000009235133	1398855591	/nfs/dbraw/zinc/85/55/91/1398855591.db2.gz	NLCAEYFWKULTRB-RMKNXTFCSA-N	-2	0	383.335	3.272	50	5		GGBARL
O=c1[n-]c(C=Cc2cccc(OCCOc3ccccc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000033553492	570374807	/nfs/dbraw/zinc/37/48/07/570374807.db2.gz	AYNFGLBDLZVXDF-KTKRTIGZSA-N	-2	0	395.371	3.012	50	5		GGBARL
CC(CCC(=O)[O-])(c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000002164719	570982249	/nfs/dbraw/zinc/98/22/49/570982249.db2.gz	VGRYMKZWQBZCPX-UHFFFAOYSA-N	-3	0	376.321	3.085	50	5		GGBARL
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000002285841	1398306656	/nfs/dbraw/zinc/30/66/56/1398306656.db2.gz	UZFUXOGVJIDRSJ-UHFFFAOYSA-N	-2	0	397.387	3.373	50	5		GGBARL
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000004321701	204037228	/nfs/dbraw/zinc/03/72/28/204037228.db2.gz	YBWSZEZYFCTYMB-UHFFFAOYSA-N	-2	0	397.387	3.373	50	5		GGBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1O[C@H](C)CC	ZINC000015009320	207040032	/nfs/dbraw/zinc/04/00/32/207040032.db2.gz	RPTSTMJEGACHCP-MXMFLMJRSA-N	-2	0	375.381	3.130	50	5		GGBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1O[C@@H](C)CC	ZINC000015009318	210142946	/nfs/dbraw/zinc/14/29/46/210142946.db2.gz	RPTSTMJEGACHCP-DJYGCBNOSA-N	-2	0	375.381	3.130	50	5		GGBARL
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1OP(=O)([O-])[O-]	ZINC000002168669	209348708	/nfs/dbraw/zinc/34/87/08/209348708.db2.gz	JELNBKZALJBEFQ-UHFFFAOYSA-N	-2	0	388.272	3.472	50	5		GGBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1	ZINC000033406462	221791432	/nfs/dbraw/zinc/79/14/32/221791432.db2.gz	LUXNFPDWFZDOAP-NTMALXAHSA-N	-2	0	395.371	3.142	50	5		GGBARL
O=[N+]([O-])c1cc(Cl)cc(S(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[O-]	ZINC000003145108	564193236	/nfs/dbraw/zinc/19/32/36/564193236.db2.gz	FNLGNHDQCCTORU-UHFFFAOYSA-N	-2	0	393.160	3.388	50	5		GGBARL