smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(C(=O)[N-]n2cc([N+](=O)[O-])cn2)n1	ZINC000008455214	170336954	/nfs/dbraw/zinc/33/69/54/170336954.db2.gz	APNJUVIPFFVDDF-UHFFFAOYSA-N	-1	3	281.188	-0.183	50	5		CBBAHM
N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000323568053	656148620	/nfs/dbraw/zinc/14/86/20/656148620.db2.gz	JUPMOHSFFAQJBJ-QMMMGPOBSA-N	-1	3	289.269	-0.715	50	5		CBBAHM
Cn1ncc2c1nc(Cn1nccc1[N+](=O)[O-])[n-]c2=O	ZINC000049493660	419453050	/nfs/dbraw/zinc/45/30/50/419453050.db2.gz	PQMOERRSTFVLBA-UHFFFAOYSA-N	-1	3	275.228	-0.190	50	5		CBBAHM
N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000323568051	656149146	/nfs/dbraw/zinc/14/91/46/656149146.db2.gz	JUPMOHSFFAQJBJ-MRVPVSSYSA-N	-1	3	289.269	-0.715	50	5		CBBAHM
O=C1CS(=O)(=O)C=C([O-])N1c1cccc([N+](=O)[O-])c1	ZINC000005714378	351323361	/nfs/dbraw/zinc/32/33/61/351323361.db2.gz	ODALKXJRORHAPN-UHFFFAOYSA-N	-1	3	284.249	-0.117	50	5		CBBAHM
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1n[n-]c([N+](=O)[O-])n1	ZINC000002262486	351308318	/nfs/dbraw/zinc/30/83/18/351308318.db2.gz	QFZOCTNNOJENTP-UHFFFAOYSA-N	-1	3	282.176	-0.531	50	5		CBBAHM
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nnc([N+](=O)[O-])[n-]1	ZINC000002262486	351308321	/nfs/dbraw/zinc/30/83/21/351308321.db2.gz	QFZOCTNNOJENTP-UHFFFAOYSA-N	-1	3	282.176	-0.531	50	5		CBBAHM
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])n[n-]1	ZINC000002262486	351308327	/nfs/dbraw/zinc/30/83/27/351308327.db2.gz	QFZOCTNNOJENTP-UHFFFAOYSA-N	-1	3	282.176	-0.531	50	5		CBBAHM
O=c1[nH]c2nc(-c3ccc([N+](=O)[O-])o3)[n-]c2c(=O)[nH]1	ZINC000006059096	351324034	/nfs/dbraw/zinc/32/40/34/351324034.db2.gz	NJDGWVUCBJLSNG-RXMQYKEDSA-N	-1	3	263.169	-0.446	50	5		CBBAHM
O=c1[nH]c2[n-]c(-c3ccc([N+](=O)[O-])o3)nc2c(=O)[nH]1	ZINC000006059096	351324040	/nfs/dbraw/zinc/32/40/40/351324040.db2.gz	NJDGWVUCBJLSNG-RXMQYKEDSA-N	-1	3	263.169	-0.446	50	5		CBBAHM
O=c1[nH]c2nc(-c3ccc([N+](=O)[O-])o3)[n-]c2c(=O)[nH]1	ZINC000006059098	351324290	/nfs/dbraw/zinc/32/42/90/351324290.db2.gz	NJDGWVUCBJLSNG-YFKPBYRVSA-N	-1	3	263.169	-0.446	50	5		CBBAHM
O=c1[nH]c2[n-]c(-c3ccc([N+](=O)[O-])o3)nc2c(=O)[nH]1	ZINC000006059098	351324294	/nfs/dbraw/zinc/32/42/94/351324294.db2.gz	NJDGWVUCBJLSNG-YFKPBYRVSA-N	-1	3	263.169	-0.446	50	5		CBBAHM
Cn1c2cc3nc4[nH]c(=O)[n-]c(=O)c4nc3cc2n(C)c1=O	ZINC000003151397	351311388	/nfs/dbraw/zinc/31/13/88/351311388.db2.gz	ZLOKBPIUZAXMPQ-UHFFFAOYSA-N	-1	3	298.262	-0.650	50	5		CBBAHM
CC(C)n1c([N+](=O)[O-])nc2c1c(=O)[n-]c(=O)n2C	ZINC000048533359	351473890	/nfs/dbraw/zinc/47/38/90/351473890.db2.gz	DHICIFWAHKKSEV-UHFFFAOYSA-N	-1	3	253.218	-0.088	50	5		CBBAHM