smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccco2)c1	ZINC000002566347	346660462	/nfs/dbraw/zinc/66/04/62/346660462.db2.gz	DGHKBRLNOPQEAD-UHFFFAOYSA-N	1	1	232.239	2.478	40	5		BEBBMO
Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(N)[nH+]1	ZINC000149999170	178193196	/nfs/dbraw/zinc/19/31/96/178193196.db2.gz	LEOLUDLEZDOIID-UHFFFAOYSA-N	1	1	245.242	2.019	40	5		BEBBMO
CCC[N@H+]1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744329	169208239	/nfs/dbraw/zinc/20/82/39/169208239.db2.gz	AERNRMOCLUNWEX-UHFFFAOYSA-N	1	1	220.272	2.363	40	5		BEBBMO
CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@@H]1[N+](C)(C)C)C2(C)C	ZINC000003845984	172532135	/nfs/dbraw/zinc/53/21/35/172532135.db2.gz	HHDIWALGULTOCF-BHPKHCPMSA-N	1	1	239.427	2.448	40	5		BEBBMO
O=[N+]([O-])c1ccc2c(c1)CC[N@@H+](C1CC1)C2	ZINC000218744407	386550798	/nfs/dbraw/zinc/55/07/98/386550798.db2.gz	MBQBLWKIMZXSKX-UHFFFAOYSA-N	1	1	218.256	2.115	40	5		BEBBMO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C	ZINC000091356218	388627482	/nfs/dbraw/zinc/62/74/82/388627482.db2.gz	YFPUDXLNZBCCMI-PHIMTYICSA-N	1	1	249.314	2.124	40	5		BEBBMO
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccn2)cc1	ZINC000058099400	388375691	/nfs/dbraw/zinc/37/56/91/388375691.db2.gz	VSADRGKJSWWKPX-UHFFFAOYSA-N	1	1	243.266	2.280	40	5		BEBBMO
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccn2)c1	ZINC000057362393	398320403	/nfs/dbraw/zinc/32/04/03/398320403.db2.gz	NONMMMWBULNCFB-UHFFFAOYSA-N	1	1	243.266	2.280	40	5		BEBBMO
CC(C)[N@H+]1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744488	167029049	/nfs/dbraw/zinc/02/90/49/167029049.db2.gz	GZBCTXFHQJTEQV-UHFFFAOYSA-N	1	1	220.272	2.361	40	5		BEBBMO
C[NH+](C)[C@@H]1C=CC[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000031669893	372087501	/nfs/dbraw/zinc/08/75/01/372087501.db2.gz	XEFALROTPLJINF-MCIONIFRSA-N	1	1	246.310	2.306	40	5		BEBBMO
CN(C)[C@H]1[C@H]([N+](C)(C)C)[C@]2(C)CC[C@H]1C2(C)C	ZINC000245239291	172531975	/nfs/dbraw/zinc/53/19/75/172531975.db2.gz	HHDIWALGULTOCF-CXTNEJHOSA-N	1	1	239.427	2.448	40	5		BEBBMO
COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)C	ZINC000001555706	175200839	/nfs/dbraw/zinc/20/08/39/175200839.db2.gz	LKNICEWFRVOXCZ-UHFFFAOYSA-N	1	1	238.287	2.444	40	5		BEBBMO
C[NH+](C)[C@@H]1C=CC[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000031669891	372088034	/nfs/dbraw/zinc/08/80/34/372088034.db2.gz	XEFALROTPLJINF-MJBXVCDLSA-N	1	1	246.310	2.306	40	5		BEBBMO
C[NH+](C)[C@H]1C=CC[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000031669892	372088046	/nfs/dbraw/zinc/08/80/46/372088046.db2.gz	XEFALROTPLJINF-IHRRRGAJSA-N	1	1	246.310	2.306	40	5		BEBBMO
Cc1c[nH+]cn1Cc1ccc([N+](=O)[O-])cc1	ZINC000013281796	371030102	/nfs/dbraw/zinc/03/01/02/371030102.db2.gz	ZRLPMTJOLYIVHH-UHFFFAOYSA-N	1	1	217.228	2.148	40	5		BEBBMO
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000003845982	342738251	/nfs/dbraw/zinc/73/82/51/342738251.db2.gz	RLYOCQKBFBQTAD-KYEXWDHISA-N	1	1	239.427	2.448	40	5		BEBBMO
C[NH+](C)[C@H]1C=CC[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	ZINC000031669894	372088167	/nfs/dbraw/zinc/08/81/67/372088167.db2.gz	XEFALROTPLJINF-RDBSUJKOSA-N	1	1	246.310	2.306	40	5		BEBBMO
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@]2(C)CC[C@H]1C2(C)C	ZINC000245239292	386587110	/nfs/dbraw/zinc/58/71/10/386587110.db2.gz	HHDIWALGULTOCF-OSFYFWSMSA-N	1	1	239.427	2.448	40	5		BEBBMO
CN(C)[C@@H]1[C@@H]2CC[C@](C)([C@@H]1[N+](C)(C)C)C2(C)C	ZINC000003845983	342738238	/nfs/dbraw/zinc/73/82/38/342738238.db2.gz	HHDIWALGULTOCF-KYEXWDHISA-N	1	1	239.427	2.448	40	5		BEBBMO
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccco2)cc1	ZINC000005522322	342765413	/nfs/dbraw/zinc/76/54/13/342765413.db2.gz	VNUBGWPQRFDTPY-UHFFFAOYSA-N	1	1	232.239	2.478	40	5		BEBBMO
CN(C)[C@H]1[C@H]2CC[C@@](C)([C@@H]1[N+](C)(C)C)C2(C)C	ZINC000013404881	172541580	/nfs/dbraw/zinc/54/15/80/172541580.db2.gz	HHDIWALGULTOCF-COMQUAJESA-N	1	1	239.427	2.448	40	5		BEBBMO