smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21	ZINC000016361857	471932070	/nfs/dbraw/zinc/93/20/70/471932070.db2.gz	HHPJYWGYMHQALA-BQYQJAHWSA-N	-2	0	340.339	2.919	50	5		EFBARL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c([O-])c(Cl)c2)[nH]1	ZINC000005041550	210371962	/nfs/dbraw/zinc/37/19/62/210371962.db2.gz	ZISUEZROSWGJMD-OWOJBTEDSA-N	-2	0	344.110	2.567	50	5		EFBARL
CCn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21	ZINC000009010341	211031109	/nfs/dbraw/zinc/03/11/09/211031109.db2.gz	WGDZDJNBKAPORZ-BQYQJAHWSA-N	-2	0	326.312	2.529	50	5		EFBARL
O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000001717037	304227828	/nfs/dbraw/zinc/22/78/28/304227828.db2.gz	CDYUHLLQUAYYHD-UHFFFAOYSA-N	-2	0	332.224	2.566	50	5		EFBARL
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000009434743	211082712	/nfs/dbraw/zinc/08/27/12/211082712.db2.gz	WHBIBZATALEYTR-UHFFFAOYSA-N	-2	0	344.279	2.552	50	5		EFBARL
CC[C@@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009239054	211058324	/nfs/dbraw/zinc/05/83/24/211058324.db2.gz	MVJLFIDJTSUEKO-OLKPEBQYSA-N	-2	0	331.328	2.731	50	5		EFBARL
CCc1cccc2c(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)c[nH]c21	ZINC000009010317	211031900	/nfs/dbraw/zinc/03/19/00/211031900.db2.gz	CGNOSFJHPJMEFT-VOTSOKGWSA-N	-2	0	326.312	2.598	50	5		EFBARL
O=C([O-])c1cccc([N+](=O)[O-])c1-c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000003844128	304265304	/nfs/dbraw/zinc/26/53/04/304265304.db2.gz	HSXZZWGNLDGWIC-UHFFFAOYSA-N	-2	0	332.224	2.566	50	5		EFBARL
Cc1c(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000004695626	210250754	/nfs/dbraw/zinc/25/07/54/210250754.db2.gz	DHVLEMHWKXBQHZ-UHFFFAOYSA-N	-2	0	344.279	2.552	50	5		EFBARL
O=c1[n-]c(C=Cc2ccc(-c3ccc(F)cc3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010301	471709606	/nfs/dbraw/zinc/70/96/06/471709606.db2.gz	FPEJDNONIMGXQT-SOFGYWHQSA-N	-2	0	343.270	2.953	50	5		EFBARL
CC[C@H](C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009239055	471712777	/nfs/dbraw/zinc/71/27/77/471712777.db2.gz	MVJLFIDJTSUEKO-ZKXNXJMVSA-N	-2	0	331.328	2.731	50	5		EFBARL
CCCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009295534	211062876	/nfs/dbraw/zinc/06/28/76/211062876.db2.gz	GVMIPZONMIVMIB-RMKNXTFCSA-N	-2	0	331.328	2.733	50	5		EFBARL
O=c1[n-]c(C=Cc2ccc(-c3ccccc3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010351	211031489	/nfs/dbraw/zinc/03/14/89/211031489.db2.gz	CRMXRNNQQQETCQ-VQHVLOKHSA-N	-2	0	325.280	2.814	50	5		EFBARL
Cc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004313713	210167586	/nfs/dbraw/zinc/16/75/86/210167586.db2.gz	POWYJHGUZIKTFV-UHFFFAOYSA-N	-2	0	344.279	2.552	50	5		EFBARL
COc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009234966	211056049	/nfs/dbraw/zinc/05/60/49/211056049.db2.gz	PVRRXJVEMQMRHW-VQHVLOKHSA-N	-2	0	339.307	2.716	50	5		EFBARL
O=C([O-])[C@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000004769700	210274435	/nfs/dbraw/zinc/27/44/35/210274435.db2.gz	QJJTVMOQLIBKLH-LLVKDONJSA-N	-2	0	332.268	2.620	50	5		EFBARL
Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000004550363	471468183	/nfs/dbraw/zinc/46/81/83/471468183.db2.gz	PHDWSUOHFUVBFY-UHFFFAOYSA-N	-2	0	344.279	2.552	50	5		EFBARL
O=C([O-])c1ccc(NC(=O)OCc2ccccc2)c([O-])c1[N+](=O)[O-]	ZINC000670432139	547488143	/nfs/dbraw/zinc/48/81/43/547488143.db2.gz	XQTNBHXQUVQXIQ-UHFFFAOYSA-N	-2	0	332.268	2.747	50	5		EFBARL
O=c1[nH]c(C=Cc2cc(Cl)c([O-])c(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009065596	471709549	/nfs/dbraw/zinc/70/95/49/471709549.db2.gz	WEFRBGPFQWCEPE-OWOJBTEDSA-N	-2	0	344.110	2.567	50	5		EFBARL
CC(C)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009235169	211057151	/nfs/dbraw/zinc/05/71/51/211057151.db2.gz	JFUNSKYGZIGLDI-VMPITWQZSA-N	-2	0	331.328	2.589	50	5		EFBARL
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc12	ZINC000009234995	211057201	/nfs/dbraw/zinc/05/72/01/211057201.db2.gz	QATPWDMICJRAQT-VQHVLOKHSA-N	-2	0	339.307	2.716	50	5		EFBARL
O=C([O-])[C@@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000004769702	210273704	/nfs/dbraw/zinc/27/37/04/210273704.db2.gz	QJJTVMOQLIBKLH-NSHDSACASA-N	-2	0	332.268	2.620	50	5		EFBARL