smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1C[C@@H]2ON=C(Cc3ccc(N)cc3)[C@@H]2C1	ZINC000169358344	173198680	/nfs/dbraw/zinc/19/86/80/173198680.db2.gz	ZZLLYRQSLXFNKI-AAEUAGOBSA-N	1	1	231.299	1.128	1	10		BDCFMO
Oc1cc2c(cc1O)[C@@H]1CCC[N@H+]1CC2	ZINC000141077745	183263080	/nfs/dbraw/zinc/26/30/80/183263080.db2.gz	VFSLZGHBVNIVCU-JTQLQIEISA-N	1	1	205.257	1.791	1	10		BDCFMO
Oc1cc2c(cc1O)[C@H]1CCC[N@H+]1CC2	ZINC000169309106	183262231	/nfs/dbraw/zinc/26/22/31/183262231.db2.gz	VFSLZGHBVNIVCU-SNVBAGLBSA-N	1	1	205.257	1.791	1	10		BDCFMO
O=c1cccc2n1C[C@H]1CCC[N@H+]3CCC=C2[C@@H]13	ZINC000014711704	560224681	/nfs/dbraw/zinc/22/46/81/560224681.db2.gz	POPJONPBVXYYED-IAQYHMDHSA-N	1	1	242.322	1.730	1	10	biogenic,in-vitro	BDCFMO
C[N@H+]1C[C@H]2ON=C(Cc3ccc(N)cc3)[C@@H]2C1	ZINC000073142389	173199441	/nfs/dbraw/zinc/19/94/41/173199441.db2.gz	ZZLLYRQSLXFNKI-WCQYABFASA-N	1	1	231.299	1.128	1	10		BDCFMO
C[NH+]1CCN(/N=N/c2ccccc2)CC1	ZINC000045284090	173065781	/nfs/dbraw/zinc/06/57/81/173065781.db2.gz	NJEOTNMQMBWALJ-OUKQBFOZSA-N	1	1	204.277	1.933	1	10		BDCFMO
COC(=O)c1ccc([N+](=O)NC#N)cc1	ZINC000070454295	560048484	/nfs/dbraw/zinc/04/84/84/560048484.db2.gz	QDHKYOBUPUKGPM-QXMHVHEDSA-N	1	1	205.173	1.548	1	10	biogenic,in-vitro	BDCFMO