smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1	ZINC000015443075	132322987	/nfs/dbraw/zinc/32/29/87/132322987.db2.gz	MRKLOFJXWXDNEO-UHFFFAOYSA-N	1	1	236.275	0.929	50	5		BCBAMO
COC(=O)[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000019419136	371142844	/nfs/dbraw/zinc/14/28/44/371142844.db2.gz	FUFUQQWIXMPZFU-VIFPVBQESA-N	1	1	224.216	0.638	50	5	in-vitro	BCBAMO
COc1ccc(C(=O)C[NH3+])cc1[N+](=O)[O-]	ZINC000036057457	175053535	/nfs/dbraw/zinc/05/35/35/175053535.db2.gz	KDEMSQKQVHAGFZ-UHFFFAOYSA-N	1	1	210.189	0.745	50	5		BCBAMO
C[NH+]1CCN(c2[nH]cnc2[N+](=O)[O-])CC1	ZINC000006160457	357415818	/nfs/dbraw/zinc/41/58/18/357415818.db2.gz	YATRSXCIPKCFPO-UHFFFAOYSA-N	1	1	211.225	0.070	50	5		BCBAMO
Cc1nn(C)c(N2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC000032934502	180357041	/nfs/dbraw/zinc/35/70/41/180357041.db2.gz	FUHXFJAJHYQYFQ-UHFFFAOYSA-N	1	1	239.279	0.389	50	5		BCBAMO
Nc1nc(NN2CCCCC2)[nH+]cc1[N+](=O)[O-]	ZINC000095349002	388764009	/nfs/dbraw/zinc/76/40/09/388764009.db2.gz	FQUFJTSDYIGMPU-UHFFFAOYSA-N	1	1	238.251	0.780	50	5		BCBAMO
C[NH+]1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	ZINC000000237666	173086622	/nfs/dbraw/zinc/08/66/22/173086622.db2.gz	JFHFZTUSQAMAPJ-UHFFFAOYSA-N	1	1	225.248	0.935	50	5		BCBAMO
Cc1nc(N2CC[NH2+]CC2)c([N+](=O)[O-])[nH]1	ZINC000009060417	180002051	/nfs/dbraw/zinc/00/20/51/180002051.db2.gz	XSNZSKAAABDXFA-UHFFFAOYSA-N	1	1	211.225	0.036	50	5		BCBAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000020246840	132330555	/nfs/dbraw/zinc/33/05/55/132330555.db2.gz	DZIASOMGGPNYCU-UHFFFAOYSA-N	1	1	222.248	0.742	50	5		BCBAMO
NNc1[nH+]cnc2ccc([N+](=O)[O-])cc21	ZINC000014162637	346983737	/nfs/dbraw/zinc/98/37/37/346983737.db2.gz	DGMHBMHKGKPAGA-UHFFFAOYSA-N	1	1	205.177	0.824	50	5		BCBAMO
C[C@@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000036602833	387903981	/nfs/dbraw/zinc/90/39/81/387903981.db2.gz	YCNGTSKOSZDDTR-SSDOTTSWSA-N	1	1	224.216	0.985	50	5		BCBAMO
O=[N+]([O-])c1ccc(C[C@H]2CNCC[NH2+]2)cc1	ZINC000068604929	388715324	/nfs/dbraw/zinc/71/53/24/388715324.db2.gz	LMAMVUGRWPOOJZ-JTQLQIEISA-N	1	1	221.260	0.699	50	5		BCBAMO
O=[N+]([O-])c1ccc(C[C@@H]2CNCC[NH2+]2)cc1	ZINC000068604920	388714972	/nfs/dbraw/zinc/71/49/72/388714972.db2.gz	LMAMVUGRWPOOJZ-SNVBAGLBSA-N	1	1	221.260	0.699	50	5		BCBAMO
C[NH+]1CCN(Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000004981685	173091804	/nfs/dbraw/zinc/09/18/04/173091804.db2.gz	CCDDGHTWKNACKD-UHFFFAOYSA-N	1	1	237.263	0.564	50	5		BCBAMO
C[C@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000034781694	351272852	/nfs/dbraw/zinc/27/28/52/351272852.db2.gz	YCNGTSKOSZDDTR-ZETCQYMHSA-N	1	1	224.216	0.985	50	5		BCBAMO
COC(=O)[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000019924553	371202586	/nfs/dbraw/zinc/20/25/86/371202586.db2.gz	FUFUQQWIXMPZFU-SECBINFHSA-N	1	1	224.216	0.638	50	5	in-vitro	BCBAMO
CC[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000009338241	374019763	/nfs/dbraw/zinc/01/97/63/374019763.db2.gz	SIAZDHYBTOKHOR-UHFFFAOYSA-N	1	1	239.279	0.470	50	5		BCBAMO
[NH3+]CCc1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000061844089	384792130	/nfs/dbraw/zinc/79/21/30/384792130.db2.gz	IOFARJZAWHBNIB-UHFFFAOYSA-N	1	1	233.231	0.881	50	5		BCBAMO
[NH3+][C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21	ZINC000095882086	385678608	/nfs/dbraw/zinc/67/86/08/385678608.db2.gz	SHRHUPSBEZUVIX-ZETCQYMHSA-N	1	1	228.229	0.382	50	5		BCBAMO
C[N@@H+](CCC(N)=O)Cc1ccccc1[N+](=O)[O-]	ZINC000027208374	350301846	/nfs/dbraw/zinc/30/18/46/350301846.db2.gz	BECABBDKKKXNRR-UHFFFAOYSA-N	1	1	237.259	0.902	50	5		BCBAMO
C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000020246996	132330397	/nfs/dbraw/zinc/33/03/97/132330397.db2.gz	IRXHDQDKDQULCJ-UHFFFAOYSA-N	1	1	222.248	0.742	50	5		BCBAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1	ZINC000089064375	387358585	/nfs/dbraw/zinc/35/85/85/387358585.db2.gz	PDSWRHMCPBRBPJ-UHFFFAOYSA-N	1	1	237.263	0.324	50	5		BCBAMO
[NH3+][C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21	ZINC000095882087	388788627	/nfs/dbraw/zinc/78/86/27/388788627.db2.gz	SHRHUPSBEZUVIX-SSDOTTSWSA-N	1	1	228.229	0.382	50	5		BCBAMO
Cc1ccc(NC(=N)NC(N)=[NH2+])cc1[N+](=O)[O-]	ZINC000085389063	188143442	/nfs/dbraw/zinc/14/34/42/188143442.db2.gz	LZUVDCBBUFSLHY-UHFFFAOYSA-N	1	1	236.235	0.733	50	5		BCBAMO
COc1cc(C(=O)C[NH3+])c([N+](=O)[O-])cc1OC	ZINC000096027744	371383538	/nfs/dbraw/zinc/38/35/38/371383538.db2.gz	MSBYILUIUQPUSH-UHFFFAOYSA-N	1	1	240.215	0.753	50	5		BCBAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000036108812	132340077	/nfs/dbraw/zinc/34/00/77/132340077.db2.gz	YVQVMPXTKXNMIV-UHFFFAOYSA-N	1	1	222.248	0.742	50	5		BCBAMO