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+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2cccc(Cl)c2)n1	ZINC000568056968	567823325	/nfs/dbraw/zinc/82/33/25/567823325.db2.gz	JQEQEHNFICXAMA-UHFFFAOYSA-N	1	1	371.824	4.578	20	5		FJBDMO
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc(-c2cccc(Cl)c2)n1	ZINC000568056968	567823327	/nfs/dbraw/zinc/82/33/27/567823327.db2.gz	JQEQEHNFICXAMA-UHFFFAOYSA-N	1	1	371.824	4.578	20	5		FJBDMO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666670	567902789	/nfs/dbraw/zinc/90/27/89/567902789.db2.gz	YHIVGBKNBBCSIL-GDBMZVCRSA-N	1	1	351.406	4.677	20	5		FJBDMO
Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121975	568281179	/nfs/dbraw/zinc/28/11/79/568281179.db2.gz	FBLUSBYMYPSZQA-IAGOWNOFSA-N	1	1	373.522	4.528	20	5		FJBDMO
CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000570176104	568459355	/nfs/dbraw/zinc/45/93/55/568459355.db2.gz	ORIGRJGLIIBMAO-NWDGAFQWSA-N	1	1	371.384	4.798	20	5		FJBDMO
Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121976	568281127	/nfs/dbraw/zinc/28/11/27/568281127.db2.gz	FBLUSBYMYPSZQA-IRXDYDNUSA-N	1	1	373.522	4.528	20	5		FJBDMO
CC(C)c1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000570313264	568466631	/nfs/dbraw/zinc/46/66/31/568466631.db2.gz	LKHCEPQNDIHLRX-INIZCTEOSA-N	1	1	364.449	4.755	20	5		FJBDMO
O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1	ZINC000108085602	206028223	/nfs/dbraw/zinc/02/82/23/206028223.db2.gz	ZIOGRXVCHJYNIW-UHFFFAOYSA-N	1	1	350.340	4.778	20	5		FJBDMO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CSc3ccccc32)o1	ZINC000522756130	568038471	/nfs/dbraw/zinc/03/84/71/568038471.db2.gz	KGIDBXKDQNJJTR-INIZCTEOSA-N	1	1	352.415	4.791	20	5		FJBDMO
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121977	568281209	/nfs/dbraw/zinc/28/12/09/568281209.db2.gz	FBLUSBYMYPSZQA-SJORKVTESA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1nc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)sc1C	ZINC000570346266	568479686	/nfs/dbraw/zinc/47/96/86/568479686.db2.gz	FURIHYKSHVONHS-UHFFFAOYSA-N	1	1	373.400	4.712	20	5		FJBDMO
CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1cccnc1	ZINC000569392372	568400267	/nfs/dbraw/zinc/40/02/67/568400267.db2.gz	HNJZJXFYBLYLDH-HNNXBMFYSA-N	1	1	351.406	4.833	20	5		FJBDMO
CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1cccnc1	ZINC000569392373	568400290	/nfs/dbraw/zinc/40/02/90/568400290.db2.gz	HNJZJXFYBLYLDH-OAHLLOKOSA-N	1	1	351.406	4.833	20	5		FJBDMO
CC(C)c1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000570313265	568466755	/nfs/dbraw/zinc/46/67/55/568466755.db2.gz	LKHCEPQNDIHLRX-MRXNPFEDSA-N	1	1	364.449	4.755	20	5		FJBDMO
O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2c2ccccc2)c2c(c1)COCO2	ZINC000521425875	568004401	/nfs/dbraw/zinc/00/44/01/568004401.db2.gz	PMIHXIHGXWNDJV-FQEVSTJZSA-N	1	1	368.433	4.579	20	5		FJBDMO
O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4ccc(F)cc4)CC3)nc2c1	ZINC000481520295	568005513	/nfs/dbraw/zinc/00/55/13/568005513.db2.gz	VMWQTKDGKSUQFO-CQSZACIVSA-N	1	1	369.396	4.645	20	5		FJBDMO
Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123074	568276002	/nfs/dbraw/zinc/27/60/02/568276002.db2.gz	GTTCVLIMPAUHCJ-DLBZAZTESA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123074	568276004	/nfs/dbraw/zinc/27/60/04/568276004.db2.gz	GTTCVLIMPAUHCJ-DLBZAZTESA-N	1	1	373.522	4.528	20	5		FJBDMO
O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC2CCCCC2)CC1	ZINC000570360346	568480411	/nfs/dbraw/zinc/48/04/11/568480411.db2.gz	RDYDNJLFUPCFBG-UHFFFAOYSA-N	1	1	352.862	4.562	20	5		FJBDMO
Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121974	568281217	/nfs/dbraw/zinc/28/12/17/568281217.db2.gz	FBLUSBYMYPSZQA-DLBZAZTESA-N	1	1	373.522	4.528	20	5		FJBDMO
C[N@@H+](Cc1ccccc1NCc1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000302832197	568239163	/nfs/dbraw/zinc/23/91/63/568239163.db2.gz	GRCQLUBUVALSRP-UHFFFAOYSA-N	1	1	353.466	4.971	20	5		FJBDMO
COc1cc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	ZINC000570248016	568466326	/nfs/dbraw/zinc/46/63/26/568466326.db2.gz	LLDIAOSXJAZOLV-ZDUSSCGKSA-N	1	1	369.446	4.578	20	5		FJBDMO
C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1	ZINC000568403375	568030543	/nfs/dbraw/zinc/03/05/43/568030543.db2.gz	WDZLCZAALQYOGY-JTQLQIEISA-N	1	1	365.311	4.606	20	5		FJBDMO
O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(Br)c1)C1CC1	ZINC000026446555	568146301	/nfs/dbraw/zinc/14/63/01/568146301.db2.gz	MYKMGUCXKZYUHR-UHFFFAOYSA-N	1	1	361.239	4.522	20	5		FJBDMO
O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(Br)c1)C1CC1	ZINC000026446555	568146302	/nfs/dbraw/zinc/14/63/02/568146302.db2.gz	MYKMGUCXKZYUHR-UHFFFAOYSA-N	1	1	361.239	4.522	20	5		FJBDMO
Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123078	568276041	/nfs/dbraw/zinc/27/60/41/568276041.db2.gz	GTTCVLIMPAUHCJ-IAGOWNOFSA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123078	568276043	/nfs/dbraw/zinc/27/60/43/568276043.db2.gz	GTTCVLIMPAUHCJ-IAGOWNOFSA-N	1	1	373.522	4.528	20	5		FJBDMO
COc1cc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-]	ZINC000570248014	568466266	/nfs/dbraw/zinc/46/62/66/568466266.db2.gz	LLDIAOSXJAZOLV-CYBMUJFWSA-N	1	1	369.446	4.578	20	5		FJBDMO
O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4ccc(F)cc4)CC3)nc2c1	ZINC000481520293	568004208	/nfs/dbraw/zinc/00/42/08/568004208.db2.gz	VMWQTKDGKSUQFO-AWEZNQCLSA-N	1	1	369.396	4.645	20	5		FJBDMO
C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000481743041	568100196	/nfs/dbraw/zinc/10/01/96/568100196.db2.gz	ZBZWLZMYUVFCAW-SFHVURJKSA-N	1	1	367.493	4.822	20	5		FJBDMO
CC(C)[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1	ZINC000568933056	568253566	/nfs/dbraw/zinc/25/35/66/568253566.db2.gz	CPAHNWAERAITMI-UHFFFAOYSA-N	1	1	351.406	4.660	20	5		FJBDMO
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000052803560	221040688	/nfs/dbraw/zinc/04/06/88/221040688.db2.gz	SDGFWWYQZSTXFE-BLLLJJGKSA-N	1	1	370.434	4.604	20	5		FJBDMO
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000052803560	221040690	/nfs/dbraw/zinc/04/06/90/221040690.db2.gz	SDGFWWYQZSTXFE-BLLLJJGKSA-N	1	1	370.434	4.604	20	5		FJBDMO
C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000481742459	568100222	/nfs/dbraw/zinc/10/02/22/568100222.db2.gz	ZBZWLZMYUVFCAW-GOSISDBHSA-N	1	1	367.493	4.822	20	5		FJBDMO
CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000570176105	568459415	/nfs/dbraw/zinc/45/94/15/568459415.db2.gz	ORIGRJGLIIBMAO-RYUDHWBXSA-N	1	1	371.384	4.798	20	5		FJBDMO
CCCCOc1ncccc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000063579281	567878271	/nfs/dbraw/zinc/87/82/71/567878271.db2.gz	JANMFDDLGAILPD-UHFFFAOYSA-N	1	1	357.454	4.582	20	5		FJBDMO
C[N@@H+](CCc1ccc(Cl)cc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000541844567	567965381	/nfs/dbraw/zinc/96/53/81/567965381.db2.gz	PRLSGQAZJJEMAT-UHFFFAOYSA-N	1	1	371.824	4.578	20	5		FJBDMO
CCC[C@]1(C)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000072896197	568015213	/nfs/dbraw/zinc/01/52/13/568015213.db2.gz	XMSXMGAKPLTOSD-IFXJQAMLSA-N	1	1	358.442	4.608	20	5		FJBDMO
Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123081	568276019	/nfs/dbraw/zinc/27/60/19/568276019.db2.gz	GTTCVLIMPAUHCJ-IRXDYDNUSA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123081	568276021	/nfs/dbraw/zinc/27/60/21/568276021.db2.gz	GTTCVLIMPAUHCJ-IRXDYDNUSA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123083	568276076	/nfs/dbraw/zinc/27/60/76/568276076.db2.gz	GTTCVLIMPAUHCJ-SJORKVTESA-N	1	1	373.522	4.528	20	5		FJBDMO
Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123083	568276078	/nfs/dbraw/zinc/27/60/78/568276078.db2.gz	GTTCVLIMPAUHCJ-SJORKVTESA-N	1	1	373.522	4.528	20	5		FJBDMO
CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000570176102	568459391	/nfs/dbraw/zinc/45/93/91/568459391.db2.gz	ORIGRJGLIIBMAO-NEPJUHHUSA-N	1	1	371.384	4.798	20	5		FJBDMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666676	567902801	/nfs/dbraw/zinc/90/28/01/567902801.db2.gz	YHIVGBKNBBCSIL-GOEBONIOSA-N	1	1	351.406	4.677	20	5		FJBDMO
CCC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000072896198	568015245	/nfs/dbraw/zinc/01/52/45/568015245.db2.gz	XMSXMGAKPLTOSD-LIRRHRJNSA-N	1	1	358.442	4.608	20	5		FJBDMO
CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000570176106	568459405	/nfs/dbraw/zinc/45/94/05/568459405.db2.gz	ORIGRJGLIIBMAO-VXGBXAGGSA-N	1	1	371.384	4.798	20	5		FJBDMO