smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000116884222	377024976	/nfs/dbraw/zinc/02/49/76/377024976.db2.gz	YUIDEHBYBLHMEW-VIFPVBQESA-N	1	0	330.366	-0.015	10	5		EBBERO
COC(=O)COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC000262150069	154215154	/nfs/dbraw/zinc/21/51/54/154215154.db2.gz	RAIYDRZDMSXEBI-YPMHNXCESA-N	1	0	339.348	-0.184	10	5		EBBERO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949179	154103776	/nfs/dbraw/zinc/10/37/76/154103776.db2.gz	PQGBIOYLFVOHFE-JSGCOSHPSA-N	1	0	325.369	-0.441	10	5		EBBERO
C[NH+](C)C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000161586309	282123414	/nfs/dbraw/zinc/12/34/14/282123414.db2.gz	RNYOXKCZJDFSGG-GFCCVEGCSA-N	1	0	326.357	-0.237	10	5		EBBERO
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O	ZINC000246850628	375875212	/nfs/dbraw/zinc/87/52/12/375875212.db2.gz	ZXADCCOVNNPXPZ-GUTXKFCHSA-N	1	0	341.412	-0.071	10	5		EBBERO
O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000262057456	154210297	/nfs/dbraw/zinc/21/02/97/154210297.db2.gz	APZAIAGJODLLIB-RNCFNFMXSA-N	1	0	332.320	-0.514	10	5		EBBERO
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262091096	154211950	/nfs/dbraw/zinc/21/19/50/154211950.db2.gz	DAVQCXPVXOUBKL-AAEUAGOBSA-N	1	0	336.348	-0.589	10	5		EBBERO
COc1cc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000262269738	154221644	/nfs/dbraw/zinc/22/16/44/154221644.db2.gz	MUVQYGIDLBVCDY-SKDRFNHKSA-N	1	0	325.321	-0.321	10	5		EBBERO
CC[C@H](O)C[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091832	420953356	/nfs/dbraw/zinc/95/33/56/420953356.db2.gz	VJAZKBLQMSTESE-UONOGXRCSA-N	1	0	327.385	-0.459	10	5		EBBERO
COCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246780824	380005948	/nfs/dbraw/zinc/00/59/48/380005948.db2.gz	SMVKYOSRJUMWCP-TZMCWYRMSA-N	1	0	327.385	-0.195	10	5		EBBERO
Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000261899156	154204673	/nfs/dbraw/zinc/20/46/73/154204673.db2.gz	AECQTJQRXUTZFY-ZWNOBZJWSA-N	1	0	346.347	-0.206	10	5		EBBERO
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000162017480	379582685	/nfs/dbraw/zinc/58/26/85/379582685.db2.gz	RZSRZVUAWHEMAZ-ZDUSSCGKSA-N	1	0	340.384	-0.063	10	5		EBBERO
Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000261899155	154204986	/nfs/dbraw/zinc/20/49/86/154204986.db2.gz	AECQTJQRXUTZFY-MFKMUULPSA-N	1	0	346.347	-0.206	10	5		EBBERO
CS(=O)(=O)c1ccc(NCCNC(=O)C2C[NH2+]C2)c([N+](=O)[O-])c1	ZINC000262296063	154223647	/nfs/dbraw/zinc/22/36/47/154223647.db2.gz	YODYNJHHUHIIHN-UHFFFAOYSA-N	1	0	342.377	-0.254	10	5		EBBERO
CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091846	420953377	/nfs/dbraw/zinc/95/33/77/420953377.db2.gz	VJAZKBLQMSTESE-ZIAGYGMSSA-N	1	0	327.385	-0.459	10	5		EBBERO
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O	ZINC000246850645	375874741	/nfs/dbraw/zinc/87/47/41/375874741.db2.gz	ZXADCCOVNNPXPZ-GZBFAFLISA-N	1	0	341.412	-0.071	10	5		EBBERO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000173949167	154103656	/nfs/dbraw/zinc/10/36/56/154103656.db2.gz	PQGBIOYLFVOHFE-GXTWGEPZSA-N	1	0	325.369	-0.441	10	5		EBBERO
COC(=O)COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC000262150060	154215024	/nfs/dbraw/zinc/21/50/24/154215024.db2.gz	RAIYDRZDMSXEBI-AAEUAGOBSA-N	1	0	339.348	-0.184	10	5		EBBERO
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262253640	154219610	/nfs/dbraw/zinc/21/96/10/154219610.db2.gz	LRIKGVKWUIUSCR-JQWIXIFHSA-N	1	0	337.332	-0.395	10	5		EBBERO
C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777782	380005224	/nfs/dbraw/zinc/00/52/24/380005224.db2.gz	SHQYOKMULNGQQG-SGMGOOAPSA-N	1	0	327.385	-0.461	10	5		EBBERO
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262091099	154212091	/nfs/dbraw/zinc/21/20/91/154212091.db2.gz	DAVQCXPVXOUBKL-DGCLKSJQSA-N	1	0	336.348	-0.589	10	5		EBBERO
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262333297	154224932	/nfs/dbraw/zinc/22/49/32/154224932.db2.gz	SLHFQSQSOLBBBU-OUAUKWLOSA-N	1	0	340.384	-0.476	10	5		EBBERO
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262333296	154225250	/nfs/dbraw/zinc/22/52/50/154225250.db2.gz	SLHFQSQSOLBBBU-GARJFASQSA-N	1	0	340.384	-0.476	10	5		EBBERO
O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000162017616	379583851	/nfs/dbraw/zinc/58/38/51/379583851.db2.gz	RZSRZVUAWHEMAZ-CYBMUJFWSA-N	1	0	340.384	-0.063	10	5		EBBERO
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262253643	154219732	/nfs/dbraw/zinc/21/97/32/154219732.db2.gz	LRIKGVKWUIUSCR-PWSUYJOCSA-N	1	0	337.332	-0.395	10	5		EBBERO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000262455573	154231990	/nfs/dbraw/zinc/23/19/90/154231990.db2.gz	FGNUSHGCJMDOKR-KBPBESRZSA-N	1	0	348.359	-0.398	10	5		EBBERO
C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777748	380005056	/nfs/dbraw/zinc/00/50/56/380005056.db2.gz	SHQYOKMULNGQQG-MBNYWOFBSA-N	1	0	327.385	-0.461	10	5		EBBERO
COCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000174782360	419108723	/nfs/dbraw/zinc/10/87/23/419108723.db2.gz	SMVKYOSRJUMWCP-OCCSQVGLSA-N	1	0	327.385	-0.195	10	5		EBBERO
CC[C@@H](O)C[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091820	420953663	/nfs/dbraw/zinc/95/36/63/420953663.db2.gz	VJAZKBLQMSTESE-KGLIPLIRSA-N	1	0	327.385	-0.459	10	5		EBBERO
C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434808	379998499	/nfs/dbraw/zinc/99/84/99/379998499.db2.gz	LNTKRDIXQSHSSI-BPLDGKMQSA-N	1	0	339.396	-0.195	10	5		EBBERO
C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000246434843	379999948	/nfs/dbraw/zinc/99/99/48/379999948.db2.gz	LNTKRDIXQSHSSI-YUELXQCFSA-N	1	0	339.396	-0.195	10	5		EBBERO
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262253645	154219754	/nfs/dbraw/zinc/21/97/54/154219754.db2.gz	LRIKGVKWUIUSCR-ZYHUDNBSSA-N	1	0	337.332	-0.395	10	5		EBBERO
C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246434828	379999037	/nfs/dbraw/zinc/99/90/37/379999037.db2.gz	LNTKRDIXQSHSSI-VHDGCEQUSA-N	1	0	339.396	-0.195	10	5		EBBERO
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262333299	154224229	/nfs/dbraw/zinc/22/42/29/154224229.db2.gz	SLHFQSQSOLBBBU-VWYCJHECSA-N	1	0	340.384	-0.476	10	5		EBBERO
COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1OC	ZINC000262062615	154210802	/nfs/dbraw/zinc/21/08/02/154210802.db2.gz	AZKAXIJSZJGDDG-KOLCDFICSA-N	1	0	325.321	-0.078	10	5		EBBERO
COCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246780805	380005764	/nfs/dbraw/zinc/00/57/64/380005764.db2.gz	SMVKYOSRJUMWCP-GXTWGEPZSA-N	1	0	327.385	-0.195	10	5		EBBERO
COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1OC	ZINC000262062616	154210719	/nfs/dbraw/zinc/21/07/19/154210719.db2.gz	AZKAXIJSZJGDDG-MWLCHTKSSA-N	1	0	325.321	-0.078	10	5		EBBERO
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262091101	154211632	/nfs/dbraw/zinc/21/16/32/154211632.db2.gz	DAVQCXPVXOUBKL-WCQYABFASA-N	1	0	336.348	-0.589	10	5		EBBERO
COC(=O)COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC000262150066	154214691	/nfs/dbraw/zinc/21/46/91/154214691.db2.gz	RAIYDRZDMSXEBI-WCQYABFASA-N	1	0	339.348	-0.184	10	5		EBBERO
O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262253637	154220209	/nfs/dbraw/zinc/22/02/09/154220209.db2.gz	LRIKGVKWUIUSCR-CMPLNLGQSA-N	1	0	337.332	-0.395	10	5		EBBERO
CNC(=O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000301348972	155169440	/nfs/dbraw/zinc/16/94/40/155169440.db2.gz	IACFFLMETQUBHS-UHFFFAOYSA-N	1	0	337.384	-0.139	10	5		EBBERO
O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000262057457	154210235	/nfs/dbraw/zinc/21/02/35/154210235.db2.gz	APZAIAGJODLLIB-TVQRCGJNSA-N	1	0	332.320	-0.514	10	5		EBBERO
O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000262317616	154225291	/nfs/dbraw/zinc/22/52/91/154225291.db2.gz	QZGZVQGKJUIPPZ-GXFFZTMASA-N	1	0	332.320	-0.514	10	5		EBBERO
CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000174782105	419108694	/nfs/dbraw/zinc/10/86/94/419108694.db2.gz	ZXADCCOVNNPXPZ-NFAWXSAZSA-N	1	0	341.412	-0.071	10	5		EBBERO
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1	ZINC000262192723	154216895	/nfs/dbraw/zinc/21/68/95/154216895.db2.gz	GDXNUHXBXYABSO-UHFFFAOYSA-N	1	0	328.350	-0.791	10	5		EBBERO
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262091103	154211877	/nfs/dbraw/zinc/21/18/77/154211877.db2.gz	DAVQCXPVXOUBKL-YPMHNXCESA-N	1	0	336.348	-0.589	10	5		EBBERO
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262333294	154224602	/nfs/dbraw/zinc/22/46/02/154224602.db2.gz	SLHFQSQSOLBBBU-DCAQKATOSA-N	1	0	340.384	-0.476	10	5		EBBERO
CC[C@H](O)C[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000174091807	419107970	/nfs/dbraw/zinc/10/79/70/419107970.db2.gz	VJAZKBLQMSTESE-KBPBESRZSA-N	1	0	327.385	-0.459	10	5		EBBERO
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000262057455	154210970	/nfs/dbraw/zinc/21/09/70/154210970.db2.gz	APZAIAGJODLLIB-NOZJJQNGSA-N	1	0	332.320	-0.514	10	5		EBBERO
COc1cc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000262269736	154221465	/nfs/dbraw/zinc/22/14/65/154221465.db2.gz	MUVQYGIDLBVCDY-CABZTGNLSA-N	1	0	325.321	-0.321	10	5		EBBERO
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000262317623	154225224	/nfs/dbraw/zinc/22/52/24/154225224.db2.gz	QZGZVQGKJUIPPZ-ZWNOBZJWSA-N	1	0	332.320	-0.514	10	5		EBBERO
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246777767	380004441	/nfs/dbraw/zinc/00/44/41/380004441.db2.gz	SHQYOKMULNGQQG-OBJOEFQTSA-N	1	0	327.385	-0.461	10	5		EBBERO
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000262317611	154224782	/nfs/dbraw/zinc/22/47/82/154224782.db2.gz	QZGZVQGKJUIPPZ-GWCFXTLKSA-N	1	0	332.320	-0.514	10	5		EBBERO
C[NH+](C)C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000161586447	289215455	/nfs/dbraw/zinc/21/54/55/289215455.db2.gz	RNYOXKCZJDFSGG-LBPRGKRZSA-N	1	0	326.357	-0.237	10	5		EBBERO
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246777728	380005186	/nfs/dbraw/zinc/00/51/86/380005186.db2.gz	SHQYOKMULNGQQG-DYEKYZERSA-N	1	0	327.385	-0.461	10	5		EBBERO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC000262455589	154231634	/nfs/dbraw/zinc/23/16/34/154231634.db2.gz	FGNUSHGCJMDOKR-KGLIPLIRSA-N	1	0	348.359	-0.398	10	5		EBBERO
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000246850673	375874632	/nfs/dbraw/zinc/87/46/32/375874632.db2.gz	ZXADCCOVNNPXPZ-UMVBOHGHSA-N	1	0	341.412	-0.071	10	5		EBBERO
Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000261899148	154205144	/nfs/dbraw/zinc/20/51/44/154205144.db2.gz	AECQTJQRXUTZFY-GXFFZTMASA-N	1	0	346.347	-0.206	10	5		EBBERO
COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1OC	ZINC000262062617	154210115	/nfs/dbraw/zinc/21/01/15/154210115.db2.gz	AZKAXIJSZJGDDG-ONGXEEELSA-N	1	0	325.321	-0.078	10	5		EBBERO
COc1cc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-]	ZINC000262269735	154221172	/nfs/dbraw/zinc/22/11/72/154221172.db2.gz	MUVQYGIDLBVCDY-BXKDBHETSA-N	1	0	325.321	-0.321	10	5		EBBERO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028915	154185882	/nfs/dbraw/zinc/18/58/82/154185882.db2.gz	PQGBIOYLFVOHFE-OCCSQVGLSA-N	1	0	325.369	-0.441	10	5		EBBERO
Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nnn1-c1cccc([N+](=O)[O-])c1	ZINC000261899138	154204640	/nfs/dbraw/zinc/20/46/40/154204640.db2.gz	AECQTJQRXUTZFY-GWCFXTLKSA-N	1	0	346.347	-0.206	10	5		EBBERO
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000262057458	154210333	/nfs/dbraw/zinc/21/03/33/154210333.db2.gz	APZAIAGJODLLIB-ZANVPECISA-N	1	0	332.320	-0.514	10	5		EBBERO
C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000177270165	419121817	/nfs/dbraw/zinc/12/18/17/419121817.db2.gz	LNTKRDIXQSHSSI-SNPRPXQTSA-N	1	0	339.396	-0.195	10	5		EBBERO
COCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782367	420953104	/nfs/dbraw/zinc/95/31/04/420953104.db2.gz	SMVKYOSRJUMWCP-JSGCOSHPSA-N	1	0	327.385	-0.195	10	5		EBBERO
COc1cc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-]	ZINC000262269737	154221670	/nfs/dbraw/zinc/22/16/70/154221670.db2.gz	MUVQYGIDLBVCDY-JOYOIKCWSA-N	1	0	325.321	-0.321	10	5		EBBERO
O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000262317619	154224154	/nfs/dbraw/zinc/22/41/54/154224154.db2.gz	QZGZVQGKJUIPPZ-MFKMUULPSA-N	1	0	332.320	-0.514	10	5		EBBERO
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)O	ZINC000004899899	210316582	/nfs/dbraw/zinc/31/65/82/210316582.db2.gz	DFUSHSVTCFOXPE-FUAUIPCOSA-N	1	0	340.336	-0.893	10	5		EBBERO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000247028945	154185587	/nfs/dbraw/zinc/18/55/87/154185587.db2.gz	PQGBIOYLFVOHFE-TZMCWYRMSA-N	1	0	325.369	-0.441	10	5		EBBERO
COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1OC	ZINC000262062614	154210424	/nfs/dbraw/zinc/21/04/24/154210424.db2.gz	AZKAXIJSZJGDDG-GXSJLCMTSA-N	1	0	325.321	-0.078	10	5		EBBERO
COC(=O)COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC000262150063	154215246	/nfs/dbraw/zinc/21/52/46/154215246.db2.gz	RAIYDRZDMSXEBI-DGCLKSJQSA-N	1	0	339.348	-0.184	10	5		EBBERO
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1	ZINC000263295753	154257612	/nfs/dbraw/zinc/25/76/12/154257612.db2.gz	MHMXPZYAXPGLAI-UHFFFAOYSA-N	1	0	328.350	-0.791	10	5		EBBERO