smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000090552642	536368567	/nfs/dbraw/zinc/36/85/67/536368567.db2.gz	GTDCASFZLZGBOZ-OAHLLOKOSA-N	2	2	363.418	-0.005	20	5		FBBDLP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000090552642	536368565	/nfs/dbraw/zinc/36/85/65/536368565.db2.gz	GTDCASFZLZGBOZ-OAHLLOKOSA-N	2	2	363.418	-0.005	20	5		FBBDLP
C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000090552643	243134091	/nfs/dbraw/zinc/13/40/91/243134091.db2.gz	GTDCASFZLZGBOZ-HNNXBMFYSA-N	2	2	363.418	-0.005	20	5		FBBDLP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000090552643	243134084	/nfs/dbraw/zinc/13/40/84/243134084.db2.gz	GTDCASFZLZGBOZ-HNNXBMFYSA-N	2	2	363.418	-0.005	20	5		FBBDLP
O=C(C[NH+]1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000159806561	484254620	/nfs/dbraw/zinc/25/46/20/484254620.db2.gz	KCCLYCVOWQILLQ-UHFFFAOYSA-N	2	2	363.418	-0.004	20	5		FBBDLP
C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000162481818	536368381	/nfs/dbraw/zinc/36/83/81/536368381.db2.gz	LBEXWXOKYNJNOZ-LSDHHAIUSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000162481818	536368378	/nfs/dbraw/zinc/36/83/78/536368378.db2.gz	LBEXWXOKYNJNOZ-LSDHHAIUSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000162481972	243200467	/nfs/dbraw/zinc/20/04/67/243200467.db2.gz	LBEXWXOKYNJNOZ-GJZGRUSLSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000162481972	243200461	/nfs/dbraw/zinc/20/04/61/243200461.db2.gz	LBEXWXOKYNJNOZ-GJZGRUSLSA-N	2	2	366.422	-0.609	20	5		FBBDLP
CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173663304	535489621	/nfs/dbraw/zinc/48/96/21/535489621.db2.gz	YRDKNLBRKNQBAF-HNNXBMFYSA-N	2	2	368.438	-0.362	20	5		FBBDLP
CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000173663321	535490193	/nfs/dbraw/zinc/49/01/93/535490193.db2.gz	YRDKNLBRKNQBAF-OAHLLOKOSA-N	2	2	368.438	-0.362	20	5		FBBDLP
C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000248008937	243274993	/nfs/dbraw/zinc/27/49/93/243274993.db2.gz	LBEXWXOKYNJNOZ-CABCVRRESA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000248008937	243274985	/nfs/dbraw/zinc/27/49/85/243274985.db2.gz	LBEXWXOKYNJNOZ-CABCVRRESA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000248008942	536368662	/nfs/dbraw/zinc/36/86/62/536368662.db2.gz	LBEXWXOKYNJNOZ-HUUCEWRRSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000248008942	536368661	/nfs/dbraw/zinc/36/86/61/536368661.db2.gz	LBEXWXOKYNJNOZ-HUUCEWRRSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000267281728	484099981	/nfs/dbraw/zinc/09/99/81/484099981.db2.gz	SJWGAQCYMPCODQ-UHFFFAOYSA-N	2	2	351.407	-0.101	20	5		FBBDLP
C[N@H+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C(=O)C1	ZINC000374732680	484788424	/nfs/dbraw/zinc/78/84/24/484788424.db2.gz	FCUWMNTXKKKHQA-UHFFFAOYSA-N	2	2	363.418	-0.005	20	5		FBBDLP
C[N@@H+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C(=O)C1	ZINC000374732680	484788420	/nfs/dbraw/zinc/78/84/20/484788420.db2.gz	FCUWMNTXKKKHQA-UHFFFAOYSA-N	2	2	363.418	-0.005	20	5		FBBDLP
C[N@H+]1CCN(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1	ZINC000374767654	484788219	/nfs/dbraw/zinc/78/82/19/484788219.db2.gz	POKWAKYVNZLDBQ-HNNXBMFYSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCN(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1	ZINC000374767654	484788214	/nfs/dbraw/zinc/78/82/14/484788214.db2.gz	POKWAKYVNZLDBQ-HNNXBMFYSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@H+]1CCN(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1	ZINC000374767659	484788812	/nfs/dbraw/zinc/78/88/12/484788812.db2.gz	POKWAKYVNZLDBQ-OAHLLOKOSA-N	2	2	366.422	-0.609	20	5		FBBDLP
C[N@@H+]1CCN(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1	ZINC000374767659	484788806	/nfs/dbraw/zinc/78/88/06/484788806.db2.gz	POKWAKYVNZLDBQ-OAHLLOKOSA-N	2	2	366.422	-0.609	20	5		FBBDLP
O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438722808	484093687	/nfs/dbraw/zinc/09/36/87/484093687.db2.gz	MBCLXUPOTLXLGH-HNNXBMFYSA-N	2	2	366.422	-0.608	20	5		FBBDLP
O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438722812	484092717	/nfs/dbraw/zinc/09/27/17/484092717.db2.gz	MBCLXUPOTLXLGH-OAHLLOKOSA-N	2	2	366.422	-0.608	20	5		FBBDLP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000501056368	484946040	/nfs/dbraw/zinc/94/60/40/484946040.db2.gz	ZDYBRAQFNIFFHX-UHFFFAOYSA-N	2	2	366.418	-0.084	20	5		FBBDLP
[NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000514938425	483940346	/nfs/dbraw/zinc/94/03/46/483940346.db2.gz	CNLDIOWNQYAMTE-UHFFFAOYSA-N	2	2	358.420	-0.124	20	5		FBBDLP
[NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000521624556	484671276	/nfs/dbraw/zinc/67/12/76/484671276.db2.gz	LHDCXGOWPCJEOM-UHFFFAOYSA-N	2	2	358.420	-0.124	20	5		FBBDLP
C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000562987614	484072384	/nfs/dbraw/zinc/07/23/84/484072384.db2.gz	TUEBDQCXBRWTHI-AWEZNQCLSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000562987614	484072379	/nfs/dbraw/zinc/07/23/79/484072379.db2.gz	TUEBDQCXBRWTHI-AWEZNQCLSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000562987615	484071799	/nfs/dbraw/zinc/07/17/99/484071799.db2.gz	TUEBDQCXBRWTHI-CQSZACIVSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000562987615	484071786	/nfs/dbraw/zinc/07/17/86/484071786.db2.gz	TUEBDQCXBRWTHI-CQSZACIVSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1	ZINC000564330056	484409255	/nfs/dbraw/zinc/40/92/55/484409255.db2.gz	DAXTVXNDRYQXCK-AWEZNQCLSA-N	2	2	364.406	-0.505	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1	ZINC000564330056	484409251	/nfs/dbraw/zinc/40/92/51/484409251.db2.gz	DAXTVXNDRYQXCK-AWEZNQCLSA-N	2	2	364.406	-0.505	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1	ZINC000564330057	484409083	/nfs/dbraw/zinc/40/90/83/484409083.db2.gz	DAXTVXNDRYQXCK-CQSZACIVSA-N	2	2	364.406	-0.505	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1	ZINC000564330057	484409076	/nfs/dbraw/zinc/40/90/76/484409076.db2.gz	DAXTVXNDRYQXCK-CQSZACIVSA-N	2	2	364.406	-0.505	20	5		FBBDLP
C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000564853756	484411132	/nfs/dbraw/zinc/41/11/32/484411132.db2.gz	IBSOCGSFBVOHRX-CYBMUJFWSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000564853756	484411125	/nfs/dbraw/zinc/41/11/25/484411125.db2.gz	IBSOCGSFBVOHRX-CYBMUJFWSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000564853758	484410918	/nfs/dbraw/zinc/41/09/18/484410918.db2.gz	IBSOCGSFBVOHRX-ZDUSSCGKSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1	ZINC000564853758	484410917	/nfs/dbraw/zinc/41/09/17/484410917.db2.gz	IBSOCGSFBVOHRX-ZDUSSCGKSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@H](C[NH3+])C1	ZINC000566200242	483479371	/nfs/dbraw/zinc/47/93/71/483479371.db2.gz	KQAGJVARFFMSGF-GFCCVEGCSA-N	2	2	363.374	-0.579	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@H](C[NH3+])C1	ZINC000566200242	483479365	/nfs/dbraw/zinc/47/93/65/483479365.db2.gz	KQAGJVARFFMSGF-GFCCVEGCSA-N	2	2	363.374	-0.579	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@@H](C[NH3+])C1	ZINC000566200243	483478613	/nfs/dbraw/zinc/47/86/13/483478613.db2.gz	KQAGJVARFFMSGF-LBPRGKRZSA-N	2	2	363.374	-0.579	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@@H](C[NH3+])C1	ZINC000566200243	483478607	/nfs/dbraw/zinc/47/86/07/483478607.db2.gz	KQAGJVARFFMSGF-LBPRGKRZSA-N	2	2	363.374	-0.579	20	5		FBBDLP
[NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000574324386	483816571	/nfs/dbraw/zinc/81/65/71/483816571.db2.gz	LHKYNUPCZMKCGD-UHFFFAOYSA-N	2	2	358.420	-0.124	20	5		FBBDLP
C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000577622062	483402501	/nfs/dbraw/zinc/40/25/01/483402501.db2.gz	SUIKDIFWTNBISF-AWEZNQCLSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000577622062	483402495	/nfs/dbraw/zinc/40/24/95/483402495.db2.gz	SUIKDIFWTNBISF-AWEZNQCLSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000577622063	483402959	/nfs/dbraw/zinc/40/29/59/483402959.db2.gz	SUIKDIFWTNBISF-CQSZACIVSA-N	2	2	372.447	-0.082	20	5		FBBDLP
C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000577622063	483402956	/nfs/dbraw/zinc/40/29/56/483402956.db2.gz	SUIKDIFWTNBISF-CQSZACIVSA-N	2	2	372.447	-0.082	20	5		FBBDLP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000582550907	484262288	/nfs/dbraw/zinc/26/22/88/484262288.db2.gz	ZGGOGGJLPJNIPU-HNNXBMFYSA-N	2	2	353.423	-0.021	20	5		FBBDLP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1	ZINC000582550911	484261535	/nfs/dbraw/zinc/26/15/35/484261535.db2.gz	ZGGOGGJLPJNIPU-OAHLLOKOSA-N	2	2	353.423	-0.021	20	5		FBBDLP
O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1	ZINC000584715380	483873211	/nfs/dbraw/zinc/87/32/11/483873211.db2.gz	KTCNVRDJBXTFDG-UHFFFAOYSA-N	2	2	358.358	-0.058	20	5		FBBDLP
C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000593903683	485205518	/nfs/dbraw/zinc/20/55/18/485205518.db2.gz	JXEKTZWBCZRBLV-CYBMUJFWSA-N	2	2	373.435	-0.732	20	5		FBBDLP
C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000593903684	485204758	/nfs/dbraw/zinc/20/47/58/485204758.db2.gz	JXEKTZWBCZRBLV-ZDUSSCGKSA-N	2	2	373.435	-0.732	20	5		FBBDLP
C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593904430	485205332	/nfs/dbraw/zinc/20/53/32/485205332.db2.gz	WOLDCBZNPBKTRU-CYBMUJFWSA-N	2	2	373.435	-0.732	20	5		FBBDLP
C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000593904431	485206530	/nfs/dbraw/zinc/20/65/30/485206530.db2.gz	WOLDCBZNPBKTRU-ZDUSSCGKSA-N	2	2	373.435	-0.732	20	5		FBBDLP
C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000593909981	485205977	/nfs/dbraw/zinc/20/59/77/485205977.db2.gz	PCHRLBGYAQMJEQ-LLVKDONJSA-N	2	2	373.435	-0.732	20	5		FBBDLP
C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000593909982	485205998	/nfs/dbraw/zinc/20/59/98/485205998.db2.gz	PCHRLBGYAQMJEQ-NSHDSACASA-N	2	2	373.435	-0.732	20	5		FBBDLP
CCn1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])n1	ZINC000594822238	483965354	/nfs/dbraw/zinc/96/53/54/483965354.db2.gz	TUQIOCUAFJICQF-UHFFFAOYSA-N	2	2	362.456	-0.027	20	5		FBBDLP
CCn1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])n1	ZINC000594822238	483965347	/nfs/dbraw/zinc/96/53/47/483965347.db2.gz	TUQIOCUAFJICQF-UHFFFAOYSA-N	2	2	362.456	-0.027	20	5		FBBDLP
[NH3+]CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)CO	ZINC000595902794	484120007	/nfs/dbraw/zinc/12/00/07/484120007.db2.gz	QQEGFYXCTCVXKA-GFCCVEGCSA-N	2	2	354.363	-0.493	20	5		FBBDLP
[NH3+]CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)CO	ZINC000595902794	484120002	/nfs/dbraw/zinc/12/00/02/484120002.db2.gz	QQEGFYXCTCVXKA-GFCCVEGCSA-N	2	2	354.363	-0.493	20	5		FBBDLP
[NH3+]CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](O)CO	ZINC000595902795	484120495	/nfs/dbraw/zinc/12/04/95/484120495.db2.gz	QQEGFYXCTCVXKA-LBPRGKRZSA-N	2	2	354.363	-0.493	20	5		FBBDLP
[NH3+]CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](O)CO	ZINC000595902795	484120490	/nfs/dbraw/zinc/12/04/90/484120490.db2.gz	QQEGFYXCTCVXKA-LBPRGKRZSA-N	2	2	354.363	-0.493	20	5		FBBDLP
O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000595902853	484120160	/nfs/dbraw/zinc/12/01/60/484120160.db2.gz	VKKZWXYSRUQEOK-UHFFFAOYSA-N	2	2	352.347	-0.034	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1	ZINC000598664214	483527239	/nfs/dbraw/zinc/52/72/39/483527239.db2.gz	KDNRGBKAOZASSD-CYBMUJFWSA-N	2	2	350.379	-0.182	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1	ZINC000598664214	483527234	/nfs/dbraw/zinc/52/72/34/483527234.db2.gz	KDNRGBKAOZASSD-CYBMUJFWSA-N	2	2	350.379	-0.182	20	5		FBBDLP
C[N@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1	ZINC000598664215	483527017	/nfs/dbraw/zinc/52/70/17/483527017.db2.gz	KDNRGBKAOZASSD-ZDUSSCGKSA-N	2	2	350.379	-0.182	20	5		FBBDLP
C[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1	ZINC000598664215	483527009	/nfs/dbraw/zinc/52/70/09/483527009.db2.gz	KDNRGBKAOZASSD-ZDUSSCGKSA-N	2	2	350.379	-0.182	20	5		FBBDLP
CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599219782	483540656	/nfs/dbraw/zinc/54/06/56/483540656.db2.gz	HWTHOBKFDTXJHC-UHFFFAOYSA-N	2	2	374.467	-0.025	20	5		FBBDLP
CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599219782	483540651	/nfs/dbraw/zinc/54/06/51/483540651.db2.gz	HWTHOBKFDTXJHC-UHFFFAOYSA-N	2	2	374.467	-0.025	20	5		FBBDLP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599339465	483541894	/nfs/dbraw/zinc/54/18/94/483541894.db2.gz	PPOHGMVGCBPUQU-NSHDSACASA-N	2	2	362.456	-0.121	20	5		FBBDLP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599339465	483541889	/nfs/dbraw/zinc/54/18/89/483541889.db2.gz	PPOHGMVGCBPUQU-NSHDSACASA-N	2	2	362.456	-0.121	20	5		FBBDLP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1	ZINC000600721084	484944607	/nfs/dbraw/zinc/94/46/07/484944607.db2.gz	LIBCBLIJXCODGO-AWEZNQCLSA-N	2	2	372.447	-0.081	20	5		FBBDLP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1	ZINC000600721085	484944637	/nfs/dbraw/zinc/94/46/37/484944637.db2.gz	LIBCBLIJXCODGO-CQSZACIVSA-N	2	2	372.447	-0.081	20	5		FBBDLP
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1	ZINC000600722460	484944682	/nfs/dbraw/zinc/94/46/82/484944682.db2.gz	FWCPRZSAULMMTG-CYBMUJFWSA-N	2	2	372.447	-0.081	20	5		FBBDLP
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1	ZINC000600722461	484945067	/nfs/dbraw/zinc/94/50/67/484945067.db2.gz	FWCPRZSAULMMTG-ZDUSSCGKSA-N	2	2	372.447	-0.081	20	5		FBBDLP
O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]2CCCC2)c1	ZINC000600722690	484945032	/nfs/dbraw/zinc/94/50/32/484945032.db2.gz	SPFWPGZKGCNBLI-AWEZNQCLSA-N	2	2	372.447	-0.081	20	5		FBBDLP
O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1	ZINC000600722691	484944939	/nfs/dbraw/zinc/94/49/39/484944939.db2.gz	SPFWPGZKGCNBLI-CQSZACIVSA-N	2	2	372.447	-0.081	20	5		FBBDLP
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000609559865	483468905	/nfs/dbraw/zinc/46/89/05/483468905.db2.gz	PKGPBGPUAMCYEA-CYBMUJFWSA-N	2	2	351.411	-0.187	20	5		FBBDLP
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000609559865	483468904	/nfs/dbraw/zinc/46/89/04/483468904.db2.gz	PKGPBGPUAMCYEA-CYBMUJFWSA-N	2	2	351.411	-0.187	20	5		FBBDLP
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1	ZINC000609559868	483469065	/nfs/dbraw/zinc/46/90/65/483469065.db2.gz	PKGPBGPUAMCYEA-ZDUSSCGKSA-N	2	2	351.411	-0.187	20	5		FBBDLP
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1	ZINC000609559868	483469060	/nfs/dbraw/zinc/46/90/60/483469060.db2.gz	PKGPBGPUAMCYEA-ZDUSSCGKSA-N	2	2	351.411	-0.187	20	5		FBBDLP
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1	ZINC001052990343	662366324	/nfs/dbraw/zinc/36/63/24/662366324.db2.gz	WXIUSYKUGLYHGO-QKPAOTATSA-N	2	2	352.435	-0.217	20	5		FBBDLP
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1	ZINC001052990343	662366322	/nfs/dbraw/zinc/36/63/22/662366322.db2.gz	WXIUSYKUGLYHGO-QKPAOTATSA-N	2	2	352.435	-0.217	20	5		FBBDLP
COC(=O)[C@@H]1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[NH2+]1	ZINC001156243166	843820707	/nfs/dbraw/zinc/82/07/07/843820707.db2.gz	PNYVJNLFNWNVND-UWVGGRQHSA-N	2	2	351.367	-0.890	20	5		FBBDLP
COC(=O)c1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-]	ZINC001158203804	843855388	/nfs/dbraw/zinc/85/53/88/843855388.db2.gz	HSJPOMRNLAOZCF-ZCFIWIBFSA-N	2	2	356.726	-0.127	20	5		FBBDLP
COC(=O)[C@@H]1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[NH2+]1	ZINC001158254329	843857163	/nfs/dbraw/zinc/85/71/63/843857163.db2.gz	PNYVJNLFNWNVND-ZJUUUORDSA-N	2	2	351.367	-0.890	20	5		FBBDLP
[NH3+]C1CC[NH+](CCNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001161866882	843928191	/nfs/dbraw/zinc/92/81/91/843928191.db2.gz	DXEGOMKDMISAOJ-UHFFFAOYSA-N	3	2	350.427	-0.371	20	5		FBBDLP
C[NH+]1CCN(C(=[NH2+])Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1	ZINC001168735843	837663195	/nfs/dbraw/zinc/66/31/95/837663195.db2.gz	GDWRDXXYNGTWLS-UHFFFAOYSA-N	2	2	350.383	-0.185	20	5		FBBDLP
C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]CC[N+](=O)[O-])CC3)CC1	ZINC001346326770	851684583	/nfs/dbraw/zinc/68/45/83/851684583.db2.gz	SKEUNSZCCBUHEK-CYBMUJFWSA-N	2	2	350.423	-0.301	20	5		FBBDLP
C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]CC[N+](=O)[O-])CC3)CC1	ZINC001346326771	851684400	/nfs/dbraw/zinc/68/44/00/851684400.db2.gz	SKEUNSZCCBUHEK-ZDUSSCGKSA-N	2	2	350.423	-0.301	20	5		FBBDLP