smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1	ZINC000580431880	322316833	/nfs/dbraw/zinc/31/68/33/322316833.db2.gz	SGGCGTWHVRCMBT-GXTWGEPZSA-N	2	0	277.368	2.115	10	5		CEBERP
C[NH+](C)CCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-]	ZINC000050517349	521798517	/nfs/dbraw/zinc/79/85/17/521798517.db2.gz	HSQOXWRYBUFULH-UHFFFAOYSA-N	2	0	295.383	2.423	10	5		CEBERP
C[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1	ZINC000062726507	523815116	/nfs/dbraw/zinc/81/51/16/523815116.db2.gz	DRWULFYDOGURBZ-ZDUSSCGKSA-N	2	0	277.368	2.069	10	5		CEBERP
C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1	ZINC000231669149	370486316	/nfs/dbraw/zinc/48/63/16/370486316.db2.gz	GGHSJPCEKXLDAQ-AWEZNQCLSA-N	2	0	277.368	2.211	10	5		CEBERP
C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1	ZINC000400317717	533506178	/nfs/dbraw/zinc/50/61/78/533506178.db2.gz	AAMRIUHSVDGARN-LOWVWBTDSA-N	2	0	263.341	2.243	10	5		CEBERP
C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1	ZINC000054628687	521955300	/nfs/dbraw/zinc/95/53/00/521955300.db2.gz	UXIHYZVONAATTB-VHRNVKJDSA-N	2	0	289.379	2.352	10	5		CEBERP
C[C@H]([NH3+])C1CC[NH+](CCc2ccccc2[N+](=O)[O-])CC1	ZINC000110651172	186310900	/nfs/dbraw/zinc/31/09/00/186310900.db2.gz	KAUHUBCFDORBFF-LBPRGKRZSA-N	2	0	277.368	2.197	10	5		CEBERP
CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1	ZINC000050517124	519951775	/nfs/dbraw/zinc/95/17/75/519951775.db2.gz	KVIULZDVSYUMMY-UHFFFAOYSA-N	2	0	281.356	2.035	10	5		CEBERP
C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-]	ZINC000062730600	521799243	/nfs/dbraw/zinc/79/92/43/521799243.db2.gz	FHXZKHJHWOPIJQ-UHFFFAOYSA-N	2	0	295.383	2.423	10	5		CEBERP
C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000052926159	525536182	/nfs/dbraw/zinc/53/61/82/525536182.db2.gz	ROAKJUVPBJTSDI-GFCCVEGCSA-N	2	0	277.368	2.415	10	5		CEBERP
CC[N+](C)(C)CCO[C@H](C)C[N+](CC)(CC)CC	ZINC000001998806	717091701	/nfs/dbraw/zinc/09/17/01/717091701.db2.gz	CCYMEPSDYBKUHG-OAHLLOKOSA-N	2	0	260.466	2.364	10	5		CEBERP
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1	ZINC000580431881	322316800	/nfs/dbraw/zinc/31/68/00/322316800.db2.gz	SGGCGTWHVRCMBT-JSGCOSHPSA-N	2	0	277.368	2.115	10	5		CEBERP
C[N+](C)(C)c1ccc(NC(=O)CCCCC[NH3+])cc1	ZINC000003650577	717097300	/nfs/dbraw/zinc/09/73/00/717097300.db2.gz	UMYXFMXFHUWDTK-UHFFFAOYSA-O	2	0	264.393	2.341	10	5		CEBERP
C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1	ZINC000231669143	370486302	/nfs/dbraw/zinc/48/63/02/370486302.db2.gz	GGHSJPCEKXLDAQ-CQSZACIVSA-N	2	0	277.368	2.211	10	5		CEBERP
C[NH2+][C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000261865226	623391180	/nfs/dbraw/zinc/39/11/80/623391180.db2.gz	YFJPYBLTNZNTHA-SNVBAGLBSA-N	2	0	274.324	2.471	10	5		CEBERP
C[NH2+]CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000122224659	187021791	/nfs/dbraw/zinc/02/17/91/187021791.db2.gz	VBRYLPCRGSBKFR-UHFFFAOYSA-N	2	0	260.297	2.083	10	5		CEBERP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261787069	371732635	/nfs/dbraw/zinc/73/26/35/371732635.db2.gz	QABNPMMQPKQFSY-WVWOOGAGSA-N	2	0	275.352	2.325	10	5		CEBERP
[NH3+]CCC[C@H]([NH3+])c1ccc(Br)c([N+](=O)[O-])c1	ZINC000575439599	366288156	/nfs/dbraw/zinc/28/81/56/366288156.db2.gz	UUGWFFXKHFSMRI-VIFPVBQESA-N	2	0	288.145	2.096	10	5		CEBERP
Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261636320	274711009	/nfs/dbraw/zinc/71/10/09/274711009.db2.gz	IFZQGEHNGYMECH-MFKMUULPSA-N	2	0	286.335	2.377	10	5		CEBERP
C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCCC2)c1	ZINC000050516655	522125206	/nfs/dbraw/zinc/12/52/06/522125206.db2.gz	QOFOPKOOJNULCT-UHFFFAOYSA-N	2	0	293.367	2.179	10	5		CEBERP
CC[N+](C)(CC)CCOCC[N+](CC)(CC)CC	ZINC000005651733	717101166	/nfs/dbraw/zinc/10/11/66/717101166.db2.gz	UWFAYMOJJJXMGS-UHFFFAOYSA-N	2	0	260.466	2.366	10	5		CEBERP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261787073	394607387	/nfs/dbraw/zinc/60/73/87/394607387.db2.gz	QABNPMMQPKQFSY-ZMJPVWNMSA-N	2	0	275.352	2.325	10	5		CEBERP
C[n+]1ccc([C@@H]2c3ccccc3CC[N+]2(C)C)cc1	ZINC000008535812	170339295	/nfs/dbraw/zinc/33/92/95/170339295.db2.gz	MBBSAUUHFDVBMC-QGZVFWFLSA-N	2	0	254.377	2.233	10	5		CEBERP
Cc1cc(N2CCC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000228793569	274704699	/nfs/dbraw/zinc/70/46/99/274704699.db2.gz	MFHYUJNHHKVYQN-UHFFFAOYSA-N	2	0	286.335	2.251	10	5		CEBERP
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000089149988	290010104	/nfs/dbraw/zinc/01/01/04/290010104.db2.gz	OLVXIJGLBUSYTC-ZKYQVNSYSA-N	2	0	263.341	2.373	10	5		CEBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000261721569	290251596	/nfs/dbraw/zinc/25/15/96/290251596.db2.gz	KGYSPLUUZYMPAM-DZGBDDFRSA-N	2	0	275.352	2.325	10	5		CEBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261721573	629156298	/nfs/dbraw/zinc/15/62/98/629156298.db2.gz	KGYSPLUUZYMPAM-WCUVEOEZSA-N	2	0	275.352	2.325	10	5		CEBERP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000261787071	371731811	/nfs/dbraw/zinc/73/18/11/371731811.db2.gz	QABNPMMQPKQFSY-XWUBHJNHSA-N	2	0	275.352	2.325	10	5		CEBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601327601	346822329	/nfs/dbraw/zinc/82/23/29/346822329.db2.gz	XIBCVADMUTXTCM-WZRBSPASSA-N	2	0	263.341	2.182	10	5		CEBERP
C[N@H+](CCc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1	ZINC000091846413	180270113	/nfs/dbraw/zinc/27/01/13/180270113.db2.gz	UAJMYROJSUHEHW-UHFFFAOYSA-N	2	0	277.368	2.339	10	5		CEBERP
[NH3+]CCC[C@@H]([NH3+])c1ccc(Br)c([N+](=O)[O-])c1	ZINC000575439688	366288163	/nfs/dbraw/zinc/28/81/63/366288163.db2.gz	UUGWFFXKHFSMRI-SECBINFHSA-N	2	0	288.145	2.096	10	5		CEBERP
C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1	ZINC000040675961	174373310	/nfs/dbraw/zinc/37/33/10/174373310.db2.gz	NMMFDFFFIODAEA-UKRRQHHQSA-N	2	0	291.395	2.457	10	5		CEBERP
CC(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1	ZINC000062733412	519747481	/nfs/dbraw/zinc/74/74/81/519747481.db2.gz	BBAAFCOHDAIDNP-UHFFFAOYSA-N	2	0	295.383	2.281	10	5		CEBERP
C[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+]2CCCCC2)c1	ZINC000050516684	522125958	/nfs/dbraw/zinc/12/59/58/522125958.db2.gz	UMOBLDMQTDXNDM-UHFFFAOYSA-N	2	0	293.367	2.179	10	5		CEBERP
C[C@H](CC[NH+](C)C)[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000062726478	524162179	/nfs/dbraw/zinc/16/21/79/524162179.db2.gz	MFITVSGFAHFNJE-GFCCVEGCSA-N	2	0	265.357	2.067	10	5		CEBERP
Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000261796228	371733789	/nfs/dbraw/zinc/73/37/89/371733789.db2.gz	QUXGMRXSHMPGRY-BFHYXJOUSA-N	2	0	275.352	2.072	10	5		CEBERP
CC[NH+](CC)CCC[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000062726187	520622485	/nfs/dbraw/zinc/62/24/85/520622485.db2.gz	KGFRLABEZABTEK-UHFFFAOYSA-N	2	0	279.384	2.459	10	5		CEBERP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601325506	346821503	/nfs/dbraw/zinc/82/15/03/346821503.db2.gz	DJKITONJSFTQCJ-UTUOFQBUSA-N	2	0	263.341	2.182	10	5		CEBERP
Cc1cc(NC[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122228719	344305273	/nfs/dbraw/zinc/30/52/73/344305273.db2.gz	GFBDCUSXUOSINY-MRVPVSSYSA-N	2	0	260.297	2.211	10	5		CEBERP
C[C@@H]([NH3+])C1CC[NH+](CCc2ccccc2[N+](=O)[O-])CC1	ZINC000110651175	186311165	/nfs/dbraw/zinc/31/11/65/186311165.db2.gz	KAUHUBCFDORBFF-GFCCVEGCSA-N	2	0	277.368	2.197	10	5		CEBERP
Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000381850641	375179499	/nfs/dbraw/zinc/17/94/99/375179499.db2.gz	ZHPQOYRSXGIIGK-NXEZZACHSA-N	2	0	274.324	2.021	10	5		CEBERP
C[NH2+][C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1	ZINC000122234617	273974992	/nfs/dbraw/zinc/97/49/92/273974992.db2.gz	IDZXPFVMXZLAST-NSHDSACASA-N	2	0	286.335	2.250	10	5		CEBERP
[NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1[N+](=O)[O-]	ZINC000062727100	527147470	/nfs/dbraw/zinc/14/74/70/527147470.db2.gz	IVBSALMNOCKZNG-AGUYFDCRSA-N	2	0	275.352	2.091	10	5		CEBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601327598	346822134	/nfs/dbraw/zinc/82/21/34/346822134.db2.gz	XIBCVADMUTXTCM-MDZLAQPJSA-N	2	0	263.341	2.182	10	5		CEBERP
Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000235377723	274712879	/nfs/dbraw/zinc/71/28/79/274712879.db2.gz	BDJGBUDWWILKKB-RNCFNFMXSA-N	2	0	286.335	2.235	10	5		CEBERP
Cc1cc(N[C@@H](C)C[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122229257	279778363	/nfs/dbraw/zinc/77/83/63/279778363.db2.gz	UHMRRJBYCSYFSB-VIFPVBQESA-N	2	0	260.297	2.211	10	5		CEBERP
Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000381850659	321837282	/nfs/dbraw/zinc/83/72/82/321837282.db2.gz	ZHPQOYRSXGIIGK-ZJUUUORDSA-N	2	0	274.324	2.021	10	5		CEBERP
CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+]2CCCC2)c1	ZINC000050516933	520002181	/nfs/dbraw/zinc/00/21/81/520002181.db2.gz	HBSNYJRAZCQVMT-UHFFFAOYSA-N	2	0	293.367	2.179	10	5		CEBERP
C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000086818876	179348016	/nfs/dbraw/zinc/34/80/16/179348016.db2.gz	MECPGFPFQSAVOG-CQSZACIVSA-N	2	0	277.368	2.211	10	5		CEBERP
C[n+]1ccc([C@H]2c3ccccc3CC[N+]2(C)C)cc1	ZINC000008535813	170339215	/nfs/dbraw/zinc/33/92/15/170339215.db2.gz	MBBSAUUHFDVBMC-KRWDZBQOSA-N	2	0	254.377	2.233	10	5		CEBERP
Cc1cc(N2CC[C@@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122223503	274709234	/nfs/dbraw/zinc/70/92/34/274709234.db2.gz	BEGBMJVDRIMUEB-NSHDSACASA-N	2	0	286.335	2.236	10	5		CEBERP
CC[N+](C)(C)CCOCC[N+]1(CC)CCCCC1	ZINC000033852523	717122206	/nfs/dbraw/zinc/12/22/06/717122206.db2.gz	ZYHFYZAZLVNGTQ-UHFFFAOYSA-N	2	0	258.450	2.120	10	5		CEBERP
O=[N+]([O-])c1ccccc1CC[NH2+]CCC[NH+]1CCCC1	ZINC000062726623	527399592	/nfs/dbraw/zinc/39/95/92/527399592.db2.gz	SLPPHHJNYPNSCO-UHFFFAOYSA-N	2	0	277.368	2.213	10	5		CEBERP
CC[NH2+]CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000122224951	187022094	/nfs/dbraw/zinc/02/20/94/187022094.db2.gz	WJQCSDHTRSYDDX-UHFFFAOYSA-N	2	0	274.324	2.473	10	5		CEBERP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261787068	371732487	/nfs/dbraw/zinc/73/24/87/371732487.db2.gz	QABNPMMQPKQFSY-UVLXDEKHSA-N	2	0	275.352	2.325	10	5		CEBERP
CCN(CC[NH3+])c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21	ZINC000122819468	344308084	/nfs/dbraw/zinc/30/80/84/344308084.db2.gz	QNDVTCTZAGBLLG-UHFFFAOYSA-N	2	0	274.324	2.236	10	5		CEBERP
Cc1c(C[NH2+][C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000231883681	370497722	/nfs/dbraw/zinc/49/77/22/370497722.db2.gz	WARRFQRQWLHANX-CYBMUJFWSA-N	2	0	263.341	2.135	10	5		CEBERP
CC[N+](C)(C)CCO[C@@H](C)C[N+](CC)(CC)CC	ZINC000001998805	717091617	/nfs/dbraw/zinc/09/16/17/717091617.db2.gz	CCYMEPSDYBKUHG-HNNXBMFYSA-N	2	0	260.466	2.364	10	5		CEBERP
C[NH+](C)CC(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000062726155	524046412	/nfs/dbraw/zinc/04/64/12/524046412.db2.gz	HTNCMEMUDLOHEO-UHFFFAOYSA-N	2	0	279.384	2.315	10	5		CEBERP
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1	ZINC000040675960	174373341	/nfs/dbraw/zinc/37/33/41/174373341.db2.gz	NMMFDFFFIODAEA-DZGCQCFKSA-N	2	0	291.395	2.457	10	5		CEBERP
C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1	ZINC000400317711	533506803	/nfs/dbraw/zinc/50/68/03/533506803.db2.gz	AAMRIUHSVDGARN-DMDPSCGWSA-N	2	0	263.341	2.243	10	5		CEBERP
Cc1cc(NC[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122234399	280627398	/nfs/dbraw/zinc/62/73/98/280627398.db2.gz	YDJCFPRITATNHB-NSHDSACASA-N	2	0	286.335	2.473	10	5		CEBERP
Cc1cc(N[C@H](C)[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000381850655	321837219	/nfs/dbraw/zinc/83/72/19/321837219.db2.gz	ZHPQOYRSXGIIGK-VHSXEESVSA-N	2	0	274.324	2.021	10	5		CEBERP
[NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1	ZINC000040750389	174394848	/nfs/dbraw/zinc/39/48/48/174394848.db2.gz	KTFXAEOXMZSRIJ-LQDVMPOASA-N	2	0	275.352	2.091	10	5		CEBERP
Cc1cc(N(C)CCC[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122236698	344305963	/nfs/dbraw/zinc/30/59/63/344305963.db2.gz	ULGDMLCRCYINFU-UHFFFAOYSA-N	2	0	274.324	2.236	10	5		CEBERP
Cc1cc(N[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122223747	187021992	/nfs/dbraw/zinc/02/19/92/187021992.db2.gz	FWWBZVMFBMCCFM-SNVBAGLBSA-N	2	0	272.308	2.225	10	5		CEBERP
Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000261796235	371735791	/nfs/dbraw/zinc/73/57/91/371735791.db2.gz	QUXGMRXSHMPGRY-MELADBBJSA-N	2	0	275.352	2.072	10	5		CEBERP
Cc1c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000568499528	395562895	/nfs/dbraw/zinc/56/28/95/395562895.db2.gz	KVCUXFVJZPZANF-OCCSQVGLSA-N	2	0	277.368	2.381	10	5		CEBERP
Cc1cc(N2CC[NH2+][C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122165267	648140204	/nfs/dbraw/zinc/14/02/04/648140204.db2.gz	JJEIEPGWHAPSAF-NSHDSACASA-N	2	0	286.335	2.250	10	5		CEBERP
[NH3+]Cc1c(C[NH+]2CCCCCC2)cccc1[N+](=O)[O-]	ZINC000221486095	370241736	/nfs/dbraw/zinc/24/17/36/370241736.db2.gz	NBBXLGMRYRKQMK-UHFFFAOYSA-N	2	0	263.341	2.430	10	5		CEBERP
C[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000094773585	184859181	/nfs/dbraw/zinc/85/91/81/184859181.db2.gz	NJAWKJUPLCOBMN-UHFFFAOYSA-N	2	0	281.331	2.165	10	5		CEBERP
C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1	ZINC000062726622	524483469	/nfs/dbraw/zinc/48/34/69/524483469.db2.gz	RMJHTRZCEPVLNV-CQSZACIVSA-N	2	0	291.395	2.459	10	5		CEBERP
Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000381850648	375180320	/nfs/dbraw/zinc/18/03/20/375180320.db2.gz	ZHPQOYRSXGIIGK-UWVGGRQHSA-N	2	0	274.324	2.021	10	5		CEBERP
Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261636319	623411208	/nfs/dbraw/zinc/41/12/08/623411208.db2.gz	IFZQGEHNGYMECH-GXFFZTMASA-N	2	0	286.335	2.377	10	5		CEBERP
Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261594685	628942131	/nfs/dbraw/zinc/94/21/31/628942131.db2.gz	BDJGBUDWWILKKB-NOZJJQNGSA-N	2	0	286.335	2.235	10	5		CEBERP
Cc1cc(N2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122222551	394810356	/nfs/dbraw/zinc/81/03/56/394810356.db2.gz	QBWSLNDTPFFTDY-LLVKDONJSA-N	2	0	286.335	2.379	10	5		CEBERP
C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH2+]C1	ZINC000261896611	522946725	/nfs/dbraw/zinc/94/67/25/522946725.db2.gz	YCWRKLNLPGKPMI-AWEZNQCLSA-N	2	0	277.368	2.069	10	5		CEBERP
Cc1c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000568499527	395562817	/nfs/dbraw/zinc/56/28/17/395562817.db2.gz	KVCUXFVJZPZANF-JSGCOSHPSA-N	2	0	277.368	2.381	10	5		CEBERP
C[NH+](C)CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C	ZINC000062731991	521802274	/nfs/dbraw/zinc/80/22/74/521802274.db2.gz	LCMWKAHRAWJUKU-UHFFFAOYSA-N	2	0	295.383	2.423	10	5		CEBERP
C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1	ZINC000040675963	174373500	/nfs/dbraw/zinc/37/35/00/174373500.db2.gz	NMMFDFFFIODAEA-HIFRSBDPSA-N	2	0	291.395	2.457	10	5		CEBERP
Cc1cc(N[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122224002	274720318	/nfs/dbraw/zinc/72/03/18/274720318.db2.gz	FWWBZVMFBMCCFM-JTQLQIEISA-N	2	0	272.308	2.225	10	5		CEBERP
Cc1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000261796232	371735465	/nfs/dbraw/zinc/73/54/65/371735465.db2.gz	QUXGMRXSHMPGRY-IHRRRGAJSA-N	2	0	275.352	2.072	10	5		CEBERP
Cc1cc(N(C)C[C@@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000312228105	628194073	/nfs/dbraw/zinc/19/40/73/628194073.db2.gz	CAOULUZASYMCQS-SECBINFHSA-N	2	0	274.324	2.235	10	5		CEBERP
C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000089149990	631183130	/nfs/dbraw/zinc/18/31/30/631183130.db2.gz	OLVXIJGLBUSYTC-SUHUHFCYSA-N	2	0	263.341	2.373	10	5		CEBERP
Cc1cc(NC[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122234150	274718833	/nfs/dbraw/zinc/71/88/33/274718833.db2.gz	YDJCFPRITATNHB-LLVKDONJSA-N	2	0	286.335	2.473	10	5		CEBERP
Cc1cc(NC[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122228977	344305411	/nfs/dbraw/zinc/30/54/11/344305411.db2.gz	GFBDCUSXUOSINY-QMMMGPOBSA-N	2	0	260.297	2.211	10	5		CEBERP
Cc1c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000568499529	313960840	/nfs/dbraw/zinc/96/08/40/313960840.db2.gz	KVCUXFVJZPZANF-TZMCWYRMSA-N	2	0	277.368	2.381	10	5		CEBERP
CC[NH+]1CCC(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1	ZINC000062726505	521551328	/nfs/dbraw/zinc/55/13/28/521551328.db2.gz	RSVCWNILRQQTHD-UHFFFAOYSA-N	2	0	291.395	2.459	10	5		CEBERP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000601325507	346821586	/nfs/dbraw/zinc/82/15/86/346821586.db2.gz	DJKITONJSFTQCJ-WOPDTQHZSA-N	2	0	263.341	2.182	10	5		CEBERP
Cc1cc(NCCC[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122164574	394809167	/nfs/dbraw/zinc/80/91/67/394809167.db2.gz	ZTABCOKRJIASKC-UHFFFAOYSA-N	2	0	260.297	2.212	10	5		CEBERP
[NH3+]CCOc1ccc2cc3ccc(OCC[NH3+])cc3nc2c1	ZINC000029414614	361684629	/nfs/dbraw/zinc/68/46/29/361684629.db2.gz	HGNMZLXCDWVFNK-UHFFFAOYSA-N	2	0	297.358	2.063	10	5		CEBERP
C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH2+]C1	ZINC000261896614	371765141	/nfs/dbraw/zinc/76/51/41/371765141.db2.gz	YCWRKLNLPGKPMI-CQSZACIVSA-N	2	0	277.368	2.069	10	5		CEBERP
Cc1cc(N[C@H](C)C[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122229484	394810485	/nfs/dbraw/zinc/81/04/85/394810485.db2.gz	UHMRRJBYCSYFSB-SECBINFHSA-N	2	0	260.297	2.211	10	5		CEBERP
Cc1c(C[NH2+][C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000231883684	370497574	/nfs/dbraw/zinc/49/75/74/370497574.db2.gz	WARRFQRQWLHANX-ZDUSSCGKSA-N	2	0	263.341	2.135	10	5		CEBERP
C[NH2+][C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000261865224	153862801	/nfs/dbraw/zinc/86/28/01/153862801.db2.gz	YFJPYBLTNZNTHA-JTQLQIEISA-N	2	0	274.324	2.471	10	5		CEBERP
C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1	ZINC000580431883	322316727	/nfs/dbraw/zinc/31/67/27/322316727.db2.gz	SGGCGTWHVRCMBT-TZMCWYRMSA-N	2	0	277.368	2.115	10	5		CEBERP
C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000052926158	525459754	/nfs/dbraw/zinc/45/97/54/525459754.db2.gz	ROAKJUVPBJTSDI-LBPRGKRZSA-N	2	0	277.368	2.415	10	5		CEBERP
C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000251540505	299381963	/nfs/dbraw/zinc/38/19/63/299381963.db2.gz	OLVXIJGLBUSYTC-VHRBIJSZSA-N	2	0	263.341	2.373	10	5		CEBERP
C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000400317715	533974380	/nfs/dbraw/zinc/97/43/80/533974380.db2.gz	AAMRIUHSVDGARN-GVXVVHGQSA-N	2	0	263.341	2.243	10	5		CEBERP
C[C@@H](CC[NH+](C)C)[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000062726477	524474686	/nfs/dbraw/zinc/47/46/86/524474686.db2.gz	MFITVSGFAHFNJE-LBPRGKRZSA-N	2	0	265.357	2.067	10	5		CEBERP
Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261988976	629413399	/nfs/dbraw/zinc/41/33/99/629413399.db2.gz	BEGVRXPRVQIKJT-TXEJJXNPSA-N	2	0	298.346	2.107	10	5		CEBERP
Cc1cc(N2CC[NH2+][C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122165056	394809261	/nfs/dbraw/zinc/80/92/61/394809261.db2.gz	JJEIEPGWHAPSAF-LLVKDONJSA-N	2	0	286.335	2.250	10	5		CEBERP
C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2	ZINC000040675954	174373279	/nfs/dbraw/zinc/37/32/79/174373279.db2.gz	QTIWFMJHFYUAIJ-VHRNVKJDSA-N	2	0	289.379	2.352	10	5		CEBERP
CC[N+](C)(CC)CCOCC[N+]1(C)CCCCC1	ZINC000033852621	717122457	/nfs/dbraw/zinc/12/24/57/717122457.db2.gz	AWFGATQCZUIRFJ-UHFFFAOYSA-N	2	0	258.450	2.120	10	5		CEBERP
C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000086818875	179348146	/nfs/dbraw/zinc/34/81/46/179348146.db2.gz	MECPGFPFQSAVOG-AWEZNQCLSA-N	2	0	277.368	2.211	10	5		CEBERP
Cc1cc(N2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122222304	274705642	/nfs/dbraw/zinc/70/56/42/274705642.db2.gz	QBWSLNDTPFFTDY-NSHDSACASA-N	2	0	286.335	2.379	10	5		CEBERP
C[N@@H+]1CCC[C@H](C[NH2+]CCc2ccccc2[N+](=O)[O-])C1	ZINC000062726506	523839604	/nfs/dbraw/zinc/83/96/04/523839604.db2.gz	DRWULFYDOGURBZ-CYBMUJFWSA-N	2	0	277.368	2.069	10	5		CEBERP
Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000235703939	274713981	/nfs/dbraw/zinc/71/39/81/274713981.db2.gz	BDJGBUDWWILKKB-ZANVPECISA-N	2	0	286.335	2.235	10	5		CEBERP
CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+](CC)CC)c1	ZINC000050517024	520001905	/nfs/dbraw/zinc/00/19/05/520001905.db2.gz	LEVQIAMDHJORRA-UHFFFAOYSA-N	2	0	295.383	2.425	10	5		CEBERP
CC1(C)N(O)C(c2ccc([N+](C)(C)C)cc2)=[N+](O)C1(C)C	ZINC000575332515	395659666	/nfs/dbraw/zinc/65/96/66/395659666.db2.gz	FOAUNIYCTUSOOJ-UHFFFAOYSA-N	2	0	293.411	2.294	10	5		CEBERP
[NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-]	ZINC000040749211	174393660	/nfs/dbraw/zinc/39/36/60/174393660.db2.gz	VKNOZQTXDGLSKW-YHWZYXNKSA-N	2	0	261.325	2.049	10	5		CEBERP
C[NH+](C)CCCC[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000062726545	524053013	/nfs/dbraw/zinc/05/30/13/524053013.db2.gz	YSERHRYXMRVEBS-UHFFFAOYSA-N	2	0	265.357	2.069	10	5		CEBERP
Cc1cc(N2CC[C@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000122223283	648188205	/nfs/dbraw/zinc/18/82/05/648188205.db2.gz	BEGBMJVDRIMUEB-LLVKDONJSA-N	2	0	286.335	2.236	10	5		CEBERP
Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261636321	280567519	/nfs/dbraw/zinc/56/75/19/280567519.db2.gz	IFZQGEHNGYMECH-ZWNOBZJWSA-N	2	0	286.335	2.377	10	5		CEBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000261721566	629156059	/nfs/dbraw/zinc/15/60/59/629156059.db2.gz	KGYSPLUUZYMPAM-BQPHKTIFSA-N	2	0	275.352	2.325	10	5		CEBERP
C[N+]1(CCCN2C[C@H]3CCC[C@@H](C2)[N+]3(C)C)CCCCC1	ZINC000031284009	717119823	/nfs/dbraw/zinc/11/98/23/717119823.db2.gz	ZZARBYMZUBFVIV-HDICACEKSA-N	2	0	295.515	2.320	10	5		CEBERP
Cc1c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000568499526	313960946	/nfs/dbraw/zinc/96/09/46/313960946.db2.gz	KVCUXFVJZPZANF-GXTWGEPZSA-N	2	0	277.368	2.381	10	5		CEBERP
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1	ZINC000050517210	519727470	/nfs/dbraw/zinc/72/74/70/519727470.db2.gz	KEWDCXYMGGLATI-UHFFFAOYSA-N	2	0	281.356	2.033	10	5		CEBERP
C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1	ZINC000580431882	322316926	/nfs/dbraw/zinc/31/69/26/322316926.db2.gz	SGGCGTWHVRCMBT-OCCSQVGLSA-N	2	0	277.368	2.115	10	5		CEBERP
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1	ZINC000040675962	174373577	/nfs/dbraw/zinc/37/35/77/174373577.db2.gz	NMMFDFFFIODAEA-ZFWWWQNUSA-N	2	0	291.395	2.457	10	5		CEBERP
Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000261594686	274713989	/nfs/dbraw/zinc/71/39/89/274713989.db2.gz	BDJGBUDWWILKKB-TVQRCGJNSA-N	2	0	286.335	2.235	10	5		CEBERP
C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1	ZINC000062726621	524737885	/nfs/dbraw/zinc/73/78/85/524737885.db2.gz	RMJHTRZCEPVLNV-AWEZNQCLSA-N	2	0	291.395	2.459	10	5		CEBERP
Cc1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000261796240	371735175	/nfs/dbraw/zinc/73/51/75/371735175.db2.gz	QUXGMRXSHMPGRY-MJBXVCDLSA-N	2	0	275.352	2.072	10	5		CEBERP
CC[NH+](CC)CCOc1cc(C[NH2+]C)ccc1[N+](=O)[O-]	ZINC000050516861	520695876	/nfs/dbraw/zinc/69/58/76/520695876.db2.gz	OYLIBKSJKDAOPC-UHFFFAOYSA-N	2	0	281.356	2.035	10	5		CEBERP
CN(CC[N+]1(C)CCCCC1)CC[N+]1(C)CCCCC1	ZINC000033877811	717122892	/nfs/dbraw/zinc/12/28/92/717122892.db2.gz	DANKYNUARRZZEB-UHFFFAOYSA-N	2	0	283.504	2.179	10	5		CEBERP
Cc1cc(N(C)C[C@H](C)[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000312228107	628194248	/nfs/dbraw/zinc/19/42/48/628194248.db2.gz	CAOULUZASYMCQS-VIFPVBQESA-N	2	0	274.324	2.235	10	5		CEBERP
CC(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)c([N+](=O)[O-])c1	ZINC000062730654	519747293	/nfs/dbraw/zinc/74/72/93/519747293.db2.gz	ALGODWRFEMWUDK-UHFFFAOYSA-N	2	0	295.383	2.281	10	5		CEBERP
C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000400317713	233175998	/nfs/dbraw/zinc/17/59/98/233175998.db2.gz	AAMRIUHSVDGARN-GMXVVIOVSA-N	2	0	263.341	2.243	10	5		CEBERP
C[NH2+]CCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21	ZINC000122165536	187018956	/nfs/dbraw/zinc/01/89/56/187018956.db2.gz	KDWOZZCZSINKGS-UHFFFAOYSA-N	2	0	274.324	2.107	10	5		CEBERP
[NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1	ZINC000040749437	174393515	/nfs/dbraw/zinc/39/35/15/174393515.db2.gz	BBYRFPYQZSXFLS-FGWVZKOKSA-N	2	0	267.354	2.110	10	5		CEBERP
Cc1c(C[NH2+]C2CCC([NH3+])CC2)cccc1[N+](=O)[O-]	ZINC000231883536	639882835	/nfs/dbraw/zinc/88/28/35/639882835.db2.gz	XEIZQKIRGFJRJJ-UHFFFAOYSA-N	2	0	263.341	2.263	10	5		CEBERP
CC[N@H+](CCc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1	ZINC000062727095	521165833	/nfs/dbraw/zinc/16/58/33/521165833.db2.gz	XFJPMZWLGSURNB-UHFFFAOYSA-N	2	0	277.368	2.211	10	5		CEBERP
CC[N@H+](Cc1ccc([N+](=O)[O-])o1)C1CCC([NH3+])CC1	ZINC000091850851	180271991	/nfs/dbraw/zinc/27/19/91/180271991.db2.gz	JMHUVUZUIDBRJG-UHFFFAOYSA-N	2	0	267.329	2.280	10	5		CEBERP
C[NH2+][C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1	ZINC000122234873	394810080	/nfs/dbraw/zinc/81/00/80/394810080.db2.gz	IDZXPFVMXZLAST-LLVKDONJSA-N	2	0	286.335	2.250	10	5		CEBERP
CC(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC[NH+](C)C	ZINC000062732044	519747191	/nfs/dbraw/zinc/74/71/91/519747191.db2.gz	YQYMEELPZCEOEK-UHFFFAOYSA-N	2	0	295.383	2.281	10	5		CEBERP
CC[N+]1(CCOCC[N+]2(CC)CCCC2)CCCC1	ZINC000033852455	717122056	/nfs/dbraw/zinc/12/20/56/717122056.db2.gz	KALZXPBSNOOTOR-UHFFFAOYSA-N	2	0	270.461	2.264	10	5		CEBERP
C[NH2+]C1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])o2)CC1	ZINC000091872943	180278171	/nfs/dbraw/zinc/27/81/71/180278171.db2.gz	HHANKOZPEMPEEN-UHFFFAOYSA-N	2	0	267.329	2.150	10	5		CEBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000261721571	153820220	/nfs/dbraw/zinc/82/02/20/153820220.db2.gz	KGYSPLUUZYMPAM-UEEZHKSASA-N	2	0	275.352	2.325	10	5		CEBERP