smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385677	483965566	/nfs/dbraw/zinc/96/55/66/483965566.db2.gz	MNEFKFVVEZMJFJ-GXTWGEPZSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385677	483965557	/nfs/dbraw/zinc/96/55/57/483965557.db2.gz	MNEFKFVVEZMJFJ-GXTWGEPZSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385690	483964481	/nfs/dbraw/zinc/96/44/81/483964481.db2.gz	MNEFKFVVEZMJFJ-JSGCOSHPSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385690	483964469	/nfs/dbraw/zinc/96/44/69/483964469.db2.gz	MNEFKFVVEZMJFJ-JSGCOSHPSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385692	483964345	/nfs/dbraw/zinc/96/43/45/483964345.db2.gz	MNEFKFVVEZMJFJ-OCCSQVGLSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385692	483964334	/nfs/dbraw/zinc/96/43/34/483964334.db2.gz	MNEFKFVVEZMJFJ-OCCSQVGLSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385694	483965355	/nfs/dbraw/zinc/96/53/55/483965355.db2.gz	MNEFKFVVEZMJFJ-TZMCWYRMSA-N	1	3	354.411	-0.671	20	5		FBBDHO
NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385694	483965349	/nfs/dbraw/zinc/96/53/49/483965349.db2.gz	MNEFKFVVEZMJFJ-TZMCWYRMSA-N	1	3	354.411	-0.671	20	5		FBBDHO
CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736658	484855449	/nfs/dbraw/zinc/85/54/49/484855449.db2.gz	DADDRAZFVPXRJG-BBRMVZONSA-N	1	3	352.439	-0.090	20	5		FBBDHO
CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736660	484855807	/nfs/dbraw/zinc/85/58/07/484855807.db2.gz	DADDRAZFVPXRJG-CJNGLKHVSA-N	1	3	352.439	-0.090	20	5		FBBDHO
CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736662	484855408	/nfs/dbraw/zinc/85/54/08/484855408.db2.gz	DADDRAZFVPXRJG-CZUORRHYSA-N	1	3	352.439	-0.090	20	5		FBBDHO
CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000591736664	484856102	/nfs/dbraw/zinc/85/61/02/484856102.db2.gz	DADDRAZFVPXRJG-XJKSGUPXSA-N	1	3	352.439	-0.090	20	5		FBBDHO