smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]ccc(Nc3ccc([N+](=O)[O-])cc3C)c2c1	ZINC000041055474	183160350	/nfs/dbraw/zinc/16/03/50/183160350.db2.gz	DVTIQQZILSXBAE-UHFFFAOYSA-N	1	1	309.325	4.204	10	5		DIBEMO
C[N@H+](C/C=C/c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-]	ZINC000104848598	194046228	/nfs/dbraw/zinc/04/62/28/194046228.db2.gz	AZQNROKWNWMHLU-SNAWJCMRSA-N	1	1	316.788	4.393	10	5		DIBEMO
C[N@@H+](C/C=C/c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-]	ZINC000104848598	194046230	/nfs/dbraw/zinc/04/62/30/194046230.db2.gz	AZQNROKWNWMHLU-SNAWJCMRSA-N	1	1	316.788	4.393	10	5		DIBEMO
CC[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000161604381	522913830	/nfs/dbraw/zinc/91/38/30/522913830.db2.gz	QZNTUOCFICPFDG-XHDPSFHLSA-N	1	1	319.792	4.445	10	5		DIBEMO
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1	ZINC000078422895	337599578	/nfs/dbraw/zinc/59/95/78/337599578.db2.gz	VGRQLVGQVQNACZ-CYBMUJFWSA-N	1	1	302.374	4.470	10	5		DIBEMO
CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-]	ZINC000152614712	521226938	/nfs/dbraw/zinc/22/69/38/521226938.db2.gz	BTSUORBKTHSWTA-OLZOCXBDSA-N	1	1	318.373	4.307	10	5		DIBEMO
CCCc1nc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1	ZINC000181526154	521514407	/nfs/dbraw/zinc/51/44/07/521514407.db2.gz	FGXBSXGNRNMUSO-HNNXBMFYSA-N	1	1	319.430	4.245	10	5		DIBEMO
C[N+]1(CCN(Cc2ccccc2)C2CCCCC2)CCCCC1	ZINC000033878379	717122902	/nfs/dbraw/zinc/12/29/02/717122902.db2.gz	TYGXHMPKLSPQSW-UHFFFAOYSA-N	1	1	315.525	4.452	10	5		DIBEMO
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1	ZINC000078422899	337599551	/nfs/dbraw/zinc/59/95/51/337599551.db2.gz	VGRQLVGQVQNACZ-ZDUSSCGKSA-N	1	1	302.374	4.470	10	5		DIBEMO
CCCc1nc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cs1	ZINC000181526169	521516057	/nfs/dbraw/zinc/51/60/57/521516057.db2.gz	FGXBSXGNRNMUSO-OAHLLOKOSA-N	1	1	319.430	4.245	10	5		DIBEMO
CC[C@@H]([NH2+][C@H](C)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000161604526	522938459	/nfs/dbraw/zinc/93/84/59/522938459.db2.gz	QZNTUOCFICPFDG-IAQYHMDHSA-N	1	1	319.792	4.445	10	5		DIBEMO