smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949179	154103779	/nfs/dbraw/zinc/10/37/79/154103779.db2.gz	PQGBIOYLFVOHFE-JSGCOSHPSA-N	0	3	325.369	-0.441	10	5		EBBEHN
O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1C[NH2+]C1	ZINC000262291863	154222590	/nfs/dbraw/zinc/22/25/90/154222590.db2.gz	XTZLEKYQYAUMKZ-UHFFFAOYSA-N	0	3	328.350	-0.791	10	5		EBBEHN
CN(C)C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000161586309	282123417	/nfs/dbraw/zinc/12/34/17/282123417.db2.gz	RNYOXKCZJDFSGG-GFCCVEGCSA-N	0	3	326.357	-0.237	10	5		EBBEHN
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850628	375875226	/nfs/dbraw/zinc/87/52/26/375875226.db2.gz	ZXADCCOVNNPXPZ-GUTXKFCHSA-N	0	3	341.412	-0.071	10	5		EBBEHN
COCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246780824	380005969	/nfs/dbraw/zinc/00/59/69/380005969.db2.gz	SMVKYOSRJUMWCP-TZMCWYRMSA-N	0	3	327.385	-0.195	10	5		EBBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCCCC1	ZINC000162017480	379582707	/nfs/dbraw/zinc/58/27/07/379582707.db2.gz	RZSRZVUAWHEMAZ-ZDUSSCGKSA-N	0	3	340.384	-0.063	10	5		EBBEHN
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850645	375874763	/nfs/dbraw/zinc/87/47/63/375874763.db2.gz	ZXADCCOVNNPXPZ-GZBFAFLISA-N	0	3	341.412	-0.071	10	5		EBBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949167	154103659	/nfs/dbraw/zinc/10/36/59/154103659.db2.gz	PQGBIOYLFVOHFE-GXTWGEPZSA-N	0	3	325.369	-0.441	10	5		EBBEHN
C[C@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777782	380005253	/nfs/dbraw/zinc/00/52/53/380005253.db2.gz	SHQYOKMULNGQQG-SGMGOOAPSA-N	0	3	327.385	-0.461	10	5		EBBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCCCC1	ZINC000162017616	379583854	/nfs/dbraw/zinc/58/38/54/379583854.db2.gz	RZSRZVUAWHEMAZ-CYBMUJFWSA-N	0	3	340.384	-0.063	10	5		EBBEHN
C[C@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777748	380005085	/nfs/dbraw/zinc/00/50/85/380005085.db2.gz	SHQYOKMULNGQQG-MBNYWOFBSA-N	0	3	327.385	-0.461	10	5		EBBEHN
COCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000174782360	419108745	/nfs/dbraw/zinc/10/87/45/419108745.db2.gz	SMVKYOSRJUMWCP-OCCSQVGLSA-N	0	3	327.385	-0.195	10	5		EBBEHN
C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434808	379998526	/nfs/dbraw/zinc/99/85/26/379998526.db2.gz	LNTKRDIXQSHSSI-BPLDGKMQSA-N	0	3	339.396	-0.195	10	5		EBBEHN
C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000246434843	379999959	/nfs/dbraw/zinc/99/99/59/379999959.db2.gz	LNTKRDIXQSHSSI-YUELXQCFSA-N	0	3	339.396	-0.195	10	5		EBBEHN
C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434828	379999055	/nfs/dbraw/zinc/99/90/55/379999055.db2.gz	LNTKRDIXQSHSSI-VHDGCEQUSA-N	0	3	339.396	-0.195	10	5		EBBEHN
COCCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246780805	380005790	/nfs/dbraw/zinc/00/57/90/380005790.db2.gz	SMVKYOSRJUMWCP-GXTWGEPZSA-N	0	3	327.385	-0.195	10	5		EBBEHN
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000174782105	419108711	/nfs/dbraw/zinc/10/87/11/419108711.db2.gz	ZXADCCOVNNPXPZ-NFAWXSAZSA-N	0	3	341.412	-0.071	10	5		EBBEHN
C[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777767	380004484	/nfs/dbraw/zinc/00/44/84/380004484.db2.gz	SHQYOKMULNGQQG-OBJOEFQTSA-N	0	3	327.385	-0.461	10	5		EBBEHN
CN(C)C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000161586447	289215456	/nfs/dbraw/zinc/21/54/56/289215456.db2.gz	RNYOXKCZJDFSGG-LBPRGKRZSA-N	0	3	326.357	-0.237	10	5		EBBEHN
C[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777728	380005215	/nfs/dbraw/zinc/00/52/15/380005215.db2.gz	SHQYOKMULNGQQG-DYEKYZERSA-N	0	3	327.385	-0.461	10	5		EBBEHN
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000246850673	375874681	/nfs/dbraw/zinc/87/46/81/375874681.db2.gz	ZXADCCOVNNPXPZ-UMVBOHGHSA-N	0	3	341.412	-0.071	10	5		EBBEHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028915	154185896	/nfs/dbraw/zinc/18/58/96/154185896.db2.gz	PQGBIOYLFVOHFE-OCCSQVGLSA-N	0	3	325.369	-0.441	10	5		EBBEHN
C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000177270165	419121831	/nfs/dbraw/zinc/12/18/31/419121831.db2.gz	LNTKRDIXQSHSSI-SNPRPXQTSA-N	0	3	339.396	-0.195	10	5		EBBEHN
COCCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782367	420953136	/nfs/dbraw/zinc/95/31/36/420953136.db2.gz	SMVKYOSRJUMWCP-JSGCOSHPSA-N	0	3	327.385	-0.195	10	5		EBBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028945	154185596	/nfs/dbraw/zinc/18/55/96/154185596.db2.gz	PQGBIOYLFVOHFE-TZMCWYRMSA-N	0	3	325.369	-0.441	10	5		EBBEHN