smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391511	353790469	/nfs/dbraw/zinc/79/04/69/353790469.db2.gz	JFXJXLMEWOWOGR-PWSUYJOCSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391511	353790472	/nfs/dbraw/zinc/79/04/72/353790472.db2.gz	JFXJXLMEWOWOGR-PWSUYJOCSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391509	353790716	/nfs/dbraw/zinc/79/07/16/353790716.db2.gz	JFXJXLMEWOWOGR-JQWIXIFHSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391509	353790718	/nfs/dbraw/zinc/79/07/18/353790718.db2.gz	JFXJXLMEWOWOGR-JQWIXIFHSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391513	353790637	/nfs/dbraw/zinc/79/06/37/353790637.db2.gz	JFXJXLMEWOWOGR-ZYHUDNBSSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391513	353790638	/nfs/dbraw/zinc/79/06/38/353790638.db2.gz	JFXJXLMEWOWOGR-ZYHUDNBSSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391507	353790418	/nfs/dbraw/zinc/79/04/18/353790418.db2.gz	JFXJXLMEWOWOGR-CMPLNLGQSA-N	2	2	283.332	-0.164	10	5		CBBELP
CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000389391507	353790421	/nfs/dbraw/zinc/79/04/21/353790421.db2.gz	JFXJXLMEWOWOGR-CMPLNLGQSA-N	2	2	283.332	-0.164	10	5		CBBELP