smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347758	211659339	/nfs/dbraw/zinc/65/93/39/211659339.db2.gz	ZWQSXGRLBTZZDV-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
O=[N+]([O-])c1cccc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1	ZINC000084380163	571084363	/nfs/dbraw/zinc/08/43/63/571084363.db2.gz	DDNKNBPXTMQLNI-UHFFFAOYSA-N	1	1	351.381	4.505	50	5		FJBAMO
Cc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-]	ZINC000036348299	205010628	/nfs/dbraw/zinc/01/06/28/205010628.db2.gz	YAJXBPLDNVAAIS-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3c3cccnc3)o2)cc1	ZINC000022078458	571336455	/nfs/dbraw/zinc/33/64/55/571336455.db2.gz	XZOZUCFYZXXYTG-FQEVSTJZSA-N	1	1	363.417	4.977	50	5		FJBAMO
O=[N+]([O-])c1ccc2[nH+]c3c(c(Nc4cccc(Cl)c4)c2c1)CCCC3	ZINC000004192762	204127293	/nfs/dbraw/zinc/12/72/93/204127293.db2.gz	WOUYXHQYYSVGNN-UHFFFAOYSA-N	1	1	353.809	4.841	50	5		FJBAMO
c1ccc2cc3c(Nc4ccc(N5CCOCC5)cc4)cc[nH+]c3cc2c1	ZINC000003148979	132384905	/nfs/dbraw/zinc/38/49/05/132384905.db2.gz	BFLBDFBTHQVGNL-UHFFFAOYSA-N	1	1	355.441	4.968	50	5		FJBAMO
O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3c3cccnc3)o2)cc1	ZINC000022078456	571336458	/nfs/dbraw/zinc/33/64/58/571336458.db2.gz	XZOZUCFYZXXYTG-HXUWFJFHSA-N	1	1	363.417	4.977	50	5		FJBAMO
Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000036347283	571248844	/nfs/dbraw/zinc/24/88/44/571248844.db2.gz	VRGUGJYHPKPZCE-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000036347283	571248846	/nfs/dbraw/zinc/24/88/46/571248846.db2.gz	VRGUGJYHPKPZCE-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-]	ZINC000036348300	571248230	/nfs/dbraw/zinc/24/82/30/571248230.db2.gz	YAJXBPLDNVAAIS-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]Cc2ccccc2F)o1	ZINC000058161699	571348958	/nfs/dbraw/zinc/34/89/58/571348958.db2.gz	YDRUXHUHVRPEAQ-UHFFFAOYSA-N	1	1	360.772	4.937	50	5		FJBAMO
O=c1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(ccc3ccccc32)o1	ZINC000057332250	205236858	/nfs/dbraw/zinc/23/68/58/205236858.db2.gz	VCNKBYZDDSBDGZ-OAHLLOKOSA-N	1	1	361.363	4.721	50	5		FJBAMO
O=c1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(ccc3ccccc32)o1	ZINC000057332248	205236880	/nfs/dbraw/zinc/23/68/80/205236880.db2.gz	VCNKBYZDDSBDGZ-HNNXBMFYSA-N	1	1	361.363	4.721	50	5		FJBAMO
O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1	ZINC000051427775	567896143	/nfs/dbraw/zinc/89/61/43/567896143.db2.gz	YVQUOYCJKHHJRW-QGZVFWFLSA-N	1	1	353.447	4.584	50	5		FJBAMO
O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1	ZINC000051427773	205183578	/nfs/dbraw/zinc/18/35/78/205183578.db2.gz	YVQUOYCJKHHJRW-KRWDZBQOSA-N	1	1	353.447	4.584	50	5		FJBAMO
Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036347239	571248751	/nfs/dbraw/zinc/24/87/51/571248751.db2.gz	AQJPZPUGPLAKKS-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036347239	571248753	/nfs/dbraw/zinc/24/87/53/571248753.db2.gz	AQJPZPUGPLAKKS-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000036347282	571248706	/nfs/dbraw/zinc/24/87/06/571248706.db2.gz	VRGUGJYHPKPZCE-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000036347282	571248707	/nfs/dbraw/zinc/24/87/07/571248707.db2.gz	VRGUGJYHPKPZCE-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000036347307	208155265	/nfs/dbraw/zinc/15/52/65/208155265.db2.gz	USRTVJPVIDMPLW-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000036347307	208155268	/nfs/dbraw/zinc/15/52/68/208155268.db2.gz	USRTVJPVIDMPLW-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)c1ccc(F)cc1	ZINC000071793382	221376347	/nfs/dbraw/zinc/37/63/47/221376347.db2.gz	CUAZCOHSVQECLA-NRFANRHFSA-N	1	1	350.393	4.955	50	5		FJBAMO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1	ZINC000071793383	221377047	/nfs/dbraw/zinc/37/70/47/221377047.db2.gz	CUAZCOHSVQECLA-OAQYLSRUSA-N	1	1	350.393	4.955	50	5		FJBAMO
Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347757	208156564	/nfs/dbraw/zinc/15/65/64/208156564.db2.gz	ZWQSXGRLBTZZDV-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000036347306	208155461	/nfs/dbraw/zinc/15/54/61/208155461.db2.gz	USRTVJPVIDMPLW-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000036347306	208155467	/nfs/dbraw/zinc/15/54/67/208155467.db2.gz	USRTVJPVIDMPLW-QFIPXVFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036347238	571248795	/nfs/dbraw/zinc/24/87/95/571248795.db2.gz	AQJPZPUGPLAKKS-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO
Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036347238	571248797	/nfs/dbraw/zinc/24/87/97/571248797.db2.gz	AQJPZPUGPLAKKS-JOCHJYFZSA-N	1	1	361.445	4.700	50	5		FJBAMO