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)C[N@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949179	154103777	/nfs/dbraw/zinc/10/37/77/154103777.db2.gz	PQGBIOYLFVOHFE-JSGCOSHPSA-N	1	1	325.369	-0.441	10	5		EBBEMO
CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850628	375875222	/nfs/dbraw/zinc/87/52/22/375875222.db2.gz	ZXADCCOVNNPXPZ-GUTXKFCHSA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850628	375875224	/nfs/dbraw/zinc/87/52/24/375875224.db2.gz	ZXADCCOVNNPXPZ-GUTXKFCHSA-N	1	1	341.412	-0.071	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000174784957	419107768	/nfs/dbraw/zinc/10/77/68/419107768.db2.gz	WQLBAMUTJXSDRR-UONOGXRCSA-N	1	1	336.352	-0.250	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000174784957	419107773	/nfs/dbraw/zinc/10/77/73/419107773.db2.gz	WQLBAMUTJXSDRR-UONOGXRCSA-N	1	1	336.352	-0.250	10	5		EBBEMO
COCC[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246780824	380005952	/nfs/dbraw/zinc/00/59/52/380005952.db2.gz	SMVKYOSRJUMWCP-TZMCWYRMSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246780824	380005956	/nfs/dbraw/zinc/00/59/56/380005956.db2.gz	SMVKYOSRJUMWCP-TZMCWYRMSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246780824	380005964	/nfs/dbraw/zinc/00/59/64/380005964.db2.gz	SMVKYOSRJUMWCP-TZMCWYRMSA-N	1	1	327.385	-0.195	10	5		EBBEMO
CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850645	375874755	/nfs/dbraw/zinc/87/47/55/375874755.db2.gz	ZXADCCOVNNPXPZ-GZBFAFLISA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000246850645	375874760	/nfs/dbraw/zinc/87/47/60/375874760.db2.gz	ZXADCCOVNNPXPZ-GZBFAFLISA-N	1	1	341.412	-0.071	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949167	154103658	/nfs/dbraw/zinc/10/36/58/154103658.db2.gz	PQGBIOYLFVOHFE-GXTWGEPZSA-N	1	1	325.369	-0.441	10	5		EBBEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777782	380005233	/nfs/dbraw/zinc/00/52/33/380005233.db2.gz	SHQYOKMULNGQQG-SGMGOOAPSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777782	380005239	/nfs/dbraw/zinc/00/52/39/380005239.db2.gz	SHQYOKMULNGQQG-SGMGOOAPSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777782	380005248	/nfs/dbraw/zinc/00/52/48/380005248.db2.gz	SHQYOKMULNGQQG-SGMGOOAPSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777748	380005067	/nfs/dbraw/zinc/00/50/67/380005067.db2.gz	SHQYOKMULNGQQG-MBNYWOFBSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777748	380005071	/nfs/dbraw/zinc/00/50/71/380005071.db2.gz	SHQYOKMULNGQQG-MBNYWOFBSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777748	380005078	/nfs/dbraw/zinc/00/50/78/380005078.db2.gz	SHQYOKMULNGQQG-MBNYWOFBSA-N	1	1	327.385	-0.461	10	5		EBBEMO
COCC[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000174782360	419108733	/nfs/dbraw/zinc/10/87/33/419108733.db2.gz	SMVKYOSRJUMWCP-OCCSQVGLSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000174782360	419108739	/nfs/dbraw/zinc/10/87/39/419108739.db2.gz	SMVKYOSRJUMWCP-OCCSQVGLSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000174782360	419108742	/nfs/dbraw/zinc/10/87/42/419108742.db2.gz	SMVKYOSRJUMWCP-OCCSQVGLSA-N	1	1	327.385	-0.195	10	5		EBBEMO
C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434808	379998519	/nfs/dbraw/zinc/99/85/19/379998519.db2.gz	LNTKRDIXQSHSSI-BPLDGKMQSA-N	1	1	339.396	-0.195	10	5		EBBEMO
C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000246434843	379999954	/nfs/dbraw/zinc/99/99/54/379999954.db2.gz	LNTKRDIXQSHSSI-YUELXQCFSA-N	1	1	339.396	-0.195	10	5		EBBEMO
C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434828	379999045	/nfs/dbraw/zinc/99/90/45/379999045.db2.gz	LNTKRDIXQSHSSI-VHDGCEQUSA-N	1	1	339.396	-0.195	10	5		EBBEMO
COCC[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246780805	380005773	/nfs/dbraw/zinc/00/57/73/380005773.db2.gz	SMVKYOSRJUMWCP-GXTWGEPZSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246780805	380005779	/nfs/dbraw/zinc/00/57/79/380005779.db2.gz	SMVKYOSRJUMWCP-GXTWGEPZSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246780805	380005783	/nfs/dbraw/zinc/00/57/83/380005783.db2.gz	SMVKYOSRJUMWCP-GXTWGEPZSA-N	1	1	327.385	-0.195	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000246812333	380007790	/nfs/dbraw/zinc/00/77/90/380007790.db2.gz	WQLBAMUTJXSDRR-KGLIPLIRSA-N	1	1	336.352	-0.250	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000246812333	380007795	/nfs/dbraw/zinc/00/77/95/380007795.db2.gz	WQLBAMUTJXSDRR-KGLIPLIRSA-N	1	1	336.352	-0.250	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000174784949	419108377	/nfs/dbraw/zinc/10/83/77/419108377.db2.gz	WQLBAMUTJXSDRR-KBPBESRZSA-N	1	1	336.352	-0.250	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000174784949	419108382	/nfs/dbraw/zinc/10/83/82/419108382.db2.gz	WQLBAMUTJXSDRR-KBPBESRZSA-N	1	1	336.352	-0.250	10	5		EBBEMO
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O	ZINC000174782105	419108701	/nfs/dbraw/zinc/10/87/01/419108701.db2.gz	ZXADCCOVNNPXPZ-NFAWXSAZSA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000174782105	419108705	/nfs/dbraw/zinc/10/87/05/419108705.db2.gz	ZXADCCOVNNPXPZ-NFAWXSAZSA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000174782105	419108708	/nfs/dbraw/zinc/10/87/08/419108708.db2.gz	ZXADCCOVNNPXPZ-NFAWXSAZSA-N	1	1	341.412	-0.071	10	5		EBBEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777767	380004460	/nfs/dbraw/zinc/00/44/60/380004460.db2.gz	SHQYOKMULNGQQG-OBJOEFQTSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777767	380004468	/nfs/dbraw/zinc/00/44/68/380004468.db2.gz	SHQYOKMULNGQQG-OBJOEFQTSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777767	380004476	/nfs/dbraw/zinc/00/44/76/380004476.db2.gz	SHQYOKMULNGQQG-OBJOEFQTSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777728	380005196	/nfs/dbraw/zinc/00/51/96/380005196.db2.gz	SHQYOKMULNGQQG-DYEKYZERSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777728	380005204	/nfs/dbraw/zinc/00/52/04/380005204.db2.gz	SHQYOKMULNGQQG-DYEKYZERSA-N	1	1	327.385	-0.461	10	5		EBBEMO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777728	380005210	/nfs/dbraw/zinc/00/52/10/380005210.db2.gz	SHQYOKMULNGQQG-DYEKYZERSA-N	1	1	327.385	-0.461	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000246812475	380007769	/nfs/dbraw/zinc/00/77/69/380007769.db2.gz	WQLBAMUTJXSDRR-ZIAGYGMSSA-N	1	1	336.352	-0.250	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000246812475	380007776	/nfs/dbraw/zinc/00/77/76/380007776.db2.gz	WQLBAMUTJXSDRR-ZIAGYGMSSA-N	1	1	336.352	-0.250	10	5		EBBEMO
CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000246850673	375874667	/nfs/dbraw/zinc/87/46/67/375874667.db2.gz	ZXADCCOVNNPXPZ-UMVBOHGHSA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000246850673	375874676	/nfs/dbraw/zinc/87/46/76/375874676.db2.gz	ZXADCCOVNNPXPZ-UMVBOHGHSA-N	1	1	341.412	-0.071	10	5		EBBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000182017499	154132587	/nfs/dbraw/zinc/13/25/87/154132587.db2.gz	GCUQLPUWMVFXFB-ZDUSSCGKSA-N	1	1	340.384	-0.111	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028915	154185888	/nfs/dbraw/zinc/18/58/88/154185888.db2.gz	PQGBIOYLFVOHFE-OCCSQVGLSA-N	1	1	325.369	-0.441	10	5		EBBEMO
C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000177270165	419121828	/nfs/dbraw/zinc/12/18/28/419121828.db2.gz	LNTKRDIXQSHSSI-SNPRPXQTSA-N	1	1	339.396	-0.195	10	5		EBBEMO
COCC[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782367	420953123	/nfs/dbraw/zinc/95/31/23/420953123.db2.gz	SMVKYOSRJUMWCP-JSGCOSHPSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782367	420953127	/nfs/dbraw/zinc/95/31/27/420953127.db2.gz	SMVKYOSRJUMWCP-JSGCOSHPSA-N	1	1	327.385	-0.195	10	5		EBBEMO
COCCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782367	420953132	/nfs/dbraw/zinc/95/31/32/420953132.db2.gz	SMVKYOSRJUMWCP-JSGCOSHPSA-N	1	1	327.385	-0.195	10	5		EBBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000182017521	154132604	/nfs/dbraw/zinc/13/26/04/154132604.db2.gz	GCUQLPUWMVFXFB-CYBMUJFWSA-N	1	1	340.384	-0.111	10	5		EBBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028945	154185592	/nfs/dbraw/zinc/18/55/92/154185592.db2.gz	PQGBIOYLFVOHFE-TZMCWYRMSA-N	1	1	325.369	-0.441	10	5		EBBEMO