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](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000072578075	202365719	/nfs/dbraw/zinc/36/57/19/202365719.db2.gz	AXJCARHWAGSXGD-CYBMUJFWSA-N	1	0	349.431	3.645	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1	ZINC000047406636	564026252	/nfs/dbraw/zinc/02/62/52/564026252.db2.gz	IFIICLFNJKGRAU-DZGCQCFKSA-N	1	0	342.399	3.657	50	5		EHBARO
Cc1cc(N)nc(SCc2cc(=O)oc3ccc4ccccc4c23)n1	ZINC000007048656	564103663	/nfs/dbraw/zinc/10/36/63/564103663.db2.gz	IGIFVUMSZKRXAE-UHFFFAOYSA-N	1	0	349.415	3.919	50	5		EHBARO
C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1	ZINC000328586362	564136454	/nfs/dbraw/zinc/13/64/54/564136454.db2.gz	BAJHFWNJMOCHAM-ZDUSSCGKSA-N	1	0	340.358	3.770	50	5		EHBARO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(C)(C)CCc2ccccc21	ZINC000252494732	564119632	/nfs/dbraw/zinc/11/96/32/564119632.db2.gz	OCYVIUOIYFLYJL-HNNXBMFYSA-N	1	0	328.416	3.522	50	5		EHBARO
CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](C[N+]3(C)CCCC3)O2)cc1	ZINC000000536310	201484824	/nfs/dbraw/zinc/48/48/24/201484824.db2.gz	KHXWWYCKNCJMQT-VQTJNVASSA-N	1	0	332.508	3.899	50	5		EHBARO
C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004020587	207146850	/nfs/dbraw/zinc/14/68/50/207146850.db2.gz	OEZYOXZAUKYBEC-KLJIWYGHSA-N	1	0	344.455	3.823	50	5		EHBARO
C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000096997628	563970935	/nfs/dbraw/zinc/97/09/35/563970935.db2.gz	LQGLMUZCBMRFJN-JTQLQIEISA-N	1	0	346.337	3.942	50	5		EHBARO
COc1ccccc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000135963	563986928	/nfs/dbraw/zinc/98/69/28/563986928.db2.gz	KYPTXCAQGNANPZ-UHFFFAOYSA-N	1	0	326.396	3.983	50	5		EHBARO
Cc1ccc2nc(N3CC[N+](C)(C)CC3)nc(-c3ccccc3)c2c1	ZINC000000493945	564017692	/nfs/dbraw/zinc/01/76/92/564017692.db2.gz	AINXBMTZFNJVLZ-UHFFFAOYSA-N	1	0	333.459	3.502	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4ccccc43)C2)nc1	ZINC000084598420	564068994	/nfs/dbraw/zinc/06/89/94/564068994.db2.gz	TWTSFKKPYBVAGC-QGZVFWFLSA-N	1	0	348.406	3.829	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1	ZINC000095350400	564139223	/nfs/dbraw/zinc/13/92/23/564139223.db2.gz	ZGFCDDKLQBTTIK-FQEVSTJZSA-N	1	0	337.423	3.794	50	5		EHBARO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000013325232	201891233	/nfs/dbraw/zinc/89/12/33/201891233.db2.gz	MMPFIUWGLAHCTN-UHFFFAOYSA-N	1	0	340.383	3.835	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000084535957	201369366	/nfs/dbraw/zinc/36/93/66/201369366.db2.gz	NALOIRGPVQOPSQ-OAHLLOKOSA-N	1	0	329.375	3.810	50	5		EHBARO
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000071826819	203121266	/nfs/dbraw/zinc/12/12/66/203121266.db2.gz	OUICVTZXGWBTEA-MRVPVSSYSA-N	1	0	349.740	3.916	50	5		EHBARO
CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1	ZINC000075107728	203301580	/nfs/dbraw/zinc/30/15/80/203301580.db2.gz	SBLXGYCFWHZCPP-UHFFFAOYSA-N	1	0	347.440	3.620	50	5		EHBARO
Cc1noc(COc2ccccc2OCCC[N+](C)(C)C)c1Cl	ZINC000006469933	563568737	/nfs/dbraw/zinc/56/87/37/563568737.db2.gz	ZXUXKZDTDDBPFT-UHFFFAOYSA-N	1	0	339.843	3.691	50	5		EHBARO
COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016419933	564085965	/nfs/dbraw/zinc/08/59/65/564085965.db2.gz	XZAJIRTXLBBQFS-ZDUSSCGKSA-N	1	0	328.368	3.574	50	5		EHBARO
COC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000095420442	564139922	/nfs/dbraw/zinc/13/99/22/564139922.db2.gz	DIBUFECAZLLBFU-CYBMUJFWSA-N	1	0	343.383	3.932	50	5		EHBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1	ZINC000032906830	202240766	/nfs/dbraw/zinc/24/07/66/202240766.db2.gz	VCUJXKBHPJPBAQ-YVEFUNNKSA-N	1	0	334.803	3.975	50	5		EHBARO
O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1	ZINC000084581916	564068836	/nfs/dbraw/zinc/06/88/36/564068836.db2.gz	BBELRJOHESFQLN-SFHVURJKSA-N	1	0	337.423	3.794	50	5		EHBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccs1	ZINC000058441797	564159124	/nfs/dbraw/zinc/15/91/24/564159124.db2.gz	FOGVIBIFPMXADY-ZDUSSCGKSA-N	1	0	347.440	3.986	50	5		EHBARO
C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004020586	207146941	/nfs/dbraw/zinc/14/69/41/207146941.db2.gz	OEZYOXZAUKYBEC-BEJULCTNSA-N	1	0	344.455	3.823	50	5		EHBARO
O=[N+]([O-])c1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1	ZINC000584904386	563967781	/nfs/dbraw/zinc/96/77/81/563967781.db2.gz	WMHFDTREBMQOCE-VQTJNVASSA-N	1	0	343.471	3.824	50	5		EHBARO
C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004745715	563973040	/nfs/dbraw/zinc/97/30/40/563973040.db2.gz	BIEOANCICWLMHB-HZPDHXFCSA-N	1	0	331.460	3.537	50	5		EHBARO
Cc1ccc2c(c1)[C@@H]1C[N+](C)(C)CC[C@@H]1N2C(=O)c1ccc(F)cc1	ZINC000003177944	564155687	/nfs/dbraw/zinc/15/56/87/564155687.db2.gz	IVBVDXQEVAKUFM-ICSRJNTNSA-N	1	0	339.434	3.727	50	5		EHBARO
C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012672565	564062555	/nfs/dbraw/zinc/06/25/55/564062555.db2.gz	LQGULOGKDQRVHD-ACJLOTCBSA-N	1	0	339.395	3.663	50	5		EHBARO
CN(C(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000083869428	564064092	/nfs/dbraw/zinc/06/40/92/564064092.db2.gz	KJHNSPZYLYPMAB-GOSISDBHSA-N	1	0	345.443	3.602	50	5		EHBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCC1=CCCCC1	ZINC000016694712	564092934	/nfs/dbraw/zinc/09/29/34/564092934.db2.gz	HIQGGNLDAXZYJT-HNNXBMFYSA-N	1	0	345.443	3.594	50	5		EHBARO
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCC1=CCCCC1	ZINC000016694711	564092977	/nfs/dbraw/zinc/09/29/77/564092977.db2.gz	HIQGGNLDAXZYJT-OAHLLOKOSA-N	1	0	345.443	3.594	50	5		EHBARO
COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000253390423	564130431	/nfs/dbraw/zinc/13/04/31/564130431.db2.gz	HXWREKZJCQRPNT-SMHFEWCJSA-N	1	0	344.475	3.661	50	5	biogenic	EHBARO
C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000095420163	564139942	/nfs/dbraw/zinc/13/99/42/564139942.db2.gz	BEKCZYYTCYOSFU-HNNXBMFYSA-N	1	0	336.395	3.690	50	5		EHBARO
Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000058306835	564158509	/nfs/dbraw/zinc/15/85/09/564158509.db2.gz	RWPCQSFTWDAENS-UGSOOPFHSA-N	1	0	348.447	3.535	50	5		EHBARO
Cc1c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cccc1[N+](=O)[O-]	ZINC000069818685	203053844	/nfs/dbraw/zinc/05/38/44/203053844.db2.gz	FJHASJWTBBOOEC-UHFFFAOYSA-N	1	0	344.386	3.838	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)cc1	ZINC000047406637	564026228	/nfs/dbraw/zinc/02/62/28/564026228.db2.gz	IFIICLFNJKGRAU-UKRRQHHQSA-N	1	0	342.399	3.657	50	5		EHBARO
O=C(CC[N@@H+]1C[C@@H]2CCCCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000084405426	564068047	/nfs/dbraw/zinc/06/80/47/564068047.db2.gz	CYTJZALDUBAMOV-YOEHRIQHSA-N	1	0	331.416	3.578	50	5		EHBARO
CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1	ZINC000042656166	564111052	/nfs/dbraw/zinc/11/10/52/564111052.db2.gz	AWWVKOBPSQWJFF-UHFFFAOYSA-N	1	0	328.416	3.675	50	5		EHBARO
C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccs1	ZINC000042110178	564174649	/nfs/dbraw/zinc/17/46/49/564174649.db2.gz	TVHWFTOEQYFDMF-OAHLLOKOSA-N	1	0	342.424	3.919	50	5		EHBARO
O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1[N+](=O)[O-]	ZINC000031621214	202207524	/nfs/dbraw/zinc/20/75/24/202207524.db2.gz	JKRNJOIQMHHGSX-UHFFFAOYSA-N	1	0	339.395	3.833	50	5		EHBARO
C[C@@H]1C[C@H](C)C[N@@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000032935521	202243929	/nfs/dbraw/zinc/24/39/29/202243929.db2.gz	ISINTOQWTLUUNS-OKILXGFUSA-N	1	0	328.416	3.533	50	5		EHBARO
O[C@H](COCc1ccccc1)C[N+]1(Cc2ccccc2)CCCCC1	ZINC000005446701	564004125	/nfs/dbraw/zinc/00/41/25/564004125.db2.gz	HMPXUGIWTMHPJO-QFIPXVFZSA-N	1	0	340.487	3.765	50	5		EHBARO
C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000005525674	564004948	/nfs/dbraw/zinc/00/49/48/564004948.db2.gz	ADSQMWMNCUJMRN-DLBZAZTESA-N	1	0	344.798	3.776	50	5		EHBARO
CC1CC[NH+](C[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000084699927	564069741	/nfs/dbraw/zinc/06/97/41/564069741.db2.gz	LOTCCCSVIFXFBL-LJQANCHMSA-N	1	0	345.487	3.581	50	5		EHBARO
COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000012981159	564135778	/nfs/dbraw/zinc/13/57/78/564135778.db2.gz	UWHLUMUMRNYUQC-SFHVURJKSA-N	1	0	342.395	3.949	50	5		EHBARO
C[NH+](C)CC(C)(C)CNCc1cc(=O)oc2ccc3ccccc3c12	ZINC000057568254	564155025	/nfs/dbraw/zinc/15/50/25/564155025.db2.gz	PXYOFYDLZQEIRU-UHFFFAOYSA-N	1	0	338.451	3.624	50	5		EHBARO
Cc1ccc2oc(=[NH2+])c3c(N)nc(-c4ccc5c(c4)OCO5)cc3c2c1	ZINC000008150762	564163211	/nfs/dbraw/zinc/16/32/11/564163211.db2.gz	PIIGXTOUYPJMBA-UHFFFAOYSA-N	1	0	345.358	3.747	50	5		EHBARO
CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1	ZINC000025236794	212467665	/nfs/dbraw/zinc/46/76/65/212467665.db2.gz	OJWCHCWKQMPVLS-KRWDZBQOSA-N	1	0	348.447	3.617	50	5		EHBARO
CC1=C(c2cccs2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O	ZINC000136181623	564129517	/nfs/dbraw/zinc/12/95/17/564129517.db2.gz	LOIFVUSAPNVCPD-OAHLLOKOSA-N	1	0	332.361	3.701	50	5		EHBARO
COc1ccc(-c2ccc(C[NH2+]C3(C)CCOCC3)o2)c([N+](=O)[O-])c1	ZINC000095434277	564140373	/nfs/dbraw/zinc/14/03/73/564140373.db2.gz	FLEHNVPTRBQXMH-UHFFFAOYSA-N	1	0	346.383	3.522	50	5		EHBARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000058855205	564159806	/nfs/dbraw/zinc/15/98/06/564159806.db2.gz	GTZCPZXDCUJOTF-UHFFFAOYSA-N	1	0	345.443	3.513	50	5		EHBARO
CC[NH+]1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)CC1	ZINC000067233299	564165366	/nfs/dbraw/zinc/16/53/66/564165366.db2.gz	SLNTZRAWJCSLBD-UHFFFAOYSA-N	1	0	347.462	3.850	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)cc1	ZINC000072313261	563929471	/nfs/dbraw/zinc/92/94/71/563929471.db2.gz	IZWCNOSVQAYGMD-IBGZPJMESA-N	1	0	341.386	3.543	50	5		EHBARO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC2CCOCC2)CC1	ZINC000097048459	563966991	/nfs/dbraw/zinc/96/69/91/563966991.db2.gz	VKRIKMLPUPCZNM-OAHLLOKOSA-N	1	0	348.443	3.624	50	5		EHBARO
C[N@@H+]1C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)C1	ZINC000005698942	564019298	/nfs/dbraw/zinc/01/92/98/564019298.db2.gz	ADSQMWMNCUJMRN-SJORKVTESA-N	1	0	344.798	3.776	50	5		EHBARO
C[N+](C)(C)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000008843566	211008869	/nfs/dbraw/zinc/00/88/69/211008869.db2.gz	OSVKKDKCGPVJAE-BUMILGAPSA-N	1	0	344.519	3.600	50	5		EHBARO
O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1	ZINC000046054568	564029386	/nfs/dbraw/zinc/02/93/86/564029386.db2.gz	FZTDBERQTGWLCP-BBRMVZONSA-N	1	0	342.399	3.799	50	5		EHBARO
CC1CC[NH+](C[C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000084699929	564069744	/nfs/dbraw/zinc/06/97/44/564069744.db2.gz	LOTCCCSVIFXFBL-IBGZPJMESA-N	1	0	345.487	3.581	50	5		EHBARO
C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000091503987	564087741	/nfs/dbraw/zinc/08/77/41/564087741.db2.gz	VLPWXFUHGWJIJT-AWEZNQCLSA-N	1	0	326.400	3.627	50	5		EHBARO
C[C@@H](c1cccnc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000266583586	564087921	/nfs/dbraw/zinc/08/79/21/564087921.db2.gz	IUSISFLAKBWPTO-AWEZNQCLSA-N	1	0	327.384	3.594	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4ccccc43)C2)nc1	ZINC000084598418	564068977	/nfs/dbraw/zinc/06/89/77/564068977.db2.gz	TWTSFKKPYBVAGC-KRWDZBQOSA-N	1	0	348.406	3.829	50	5		EHBARO
O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC[C@@H]3C(F)(F)F)nc2c1	ZINC000124414524	564138041	/nfs/dbraw/zinc/13/80/41/564138041.db2.gz	RWUSNRXKSNUGNO-QWRGUYRKSA-N	1	0	343.305	3.947	50	5		EHBARO
Cc1cc(NCc2nccn2C(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000096008432	564144635	/nfs/dbraw/zinc/14/46/35/564144635.db2.gz	KVXQHILVPIKYRF-UHFFFAOYSA-N	1	0	333.298	3.655	50	5		EHBARO
CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000039979618	564167722	/nfs/dbraw/zinc/16/77/22/564167722.db2.gz	FDCOIGFBPDQLIC-IBGZPJMESA-N	1	0	342.395	3.853	50	5		EHBARO
C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccsc1	ZINC000040153562	564168429	/nfs/dbraw/zinc/16/84/29/564168429.db2.gz	BBHGOBHXUWWGOA-INIZCTEOSA-N	1	0	342.424	3.919	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc21	ZINC000046228912	204334703	/nfs/dbraw/zinc/33/47/03/204334703.db2.gz	ORPKYVATNVQLQA-INIZCTEOSA-N	1	0	348.406	3.829	50	5		EHBARO
C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004020588	206480753	/nfs/dbraw/zinc/48/07/53/206480753.db2.gz	OEZYOXZAUKYBEC-FTMGESSISA-N	1	0	344.455	3.823	50	5		EHBARO
CCN1CCC([NH2+][C@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1	ZINC000004477500	563727587	/nfs/dbraw/zinc/72/75/87/563727587.db2.gz	PWBFNNRPJWBPEF-SFHVURJKSA-N	1	0	342.443	3.527	50	5		EHBARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000016467663	564087516	/nfs/dbraw/zinc/08/75/16/564087516.db2.gz	GDNJGQJTARKOMZ-UHFFFAOYSA-N	1	0	345.443	3.513	50	5		EHBARO
CC(C)c1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-]	ZINC000075783576	564092912	/nfs/dbraw/zinc/09/29/12/564092912.db2.gz	PTMJWLISJRQNAY-INIZCTEOSA-N	1	0	328.416	3.619	50	5		EHBARO
O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC[C@H]3C(F)(F)F)nc2c1	ZINC000124414957	564138014	/nfs/dbraw/zinc/13/80/14/564138014.db2.gz	RWUSNRXKSNUGNO-MNOVXSKESA-N	1	0	343.305	3.947	50	5		EHBARO
COc1ccc2sc(/C=C/c3cccc([N+](=O)[O-])c3)[n+](C)c2c1	ZINC000004200124	564161082	/nfs/dbraw/zinc/16/10/82/564161082.db2.gz	WMSQWSIETZBRLJ-RMKNXTFCSA-N	1	0	327.385	3.813	50	5		EHBARO
CC(C)[C@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1	ZINC000052637160	214138308	/nfs/dbraw/zinc/13/83/08/214138308.db2.gz	RYLMFTBFEUJZKQ-LBPRGKRZSA-N	1	0	330.388	3.654	50	5		EHBARO
CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1	ZINC000036763421	213117358	/nfs/dbraw/zinc/11/73/58/213117358.db2.gz	SZXLUBFTHIPMEF-UHFFFAOYSA-N	1	0	341.411	3.618	50	5		EHBARO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC2CCOCC2)CC1	ZINC000097048460	218932017	/nfs/dbraw/zinc/93/20/17/218932017.db2.gz	VKRIKMLPUPCZNM-HNNXBMFYSA-N	1	0	348.443	3.624	50	5		EHBARO
COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC	ZINC000004989053	210350535	/nfs/dbraw/zinc/35/05/35/210350535.db2.gz	TVLFCBDSKNDCPN-ZFWWWQNUSA-N	1	0	334.416	3.767	50	5		EHBARO
C[C@@H](NC(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000103942361	564023387	/nfs/dbraw/zinc/02/33/87/564023387.db2.gz	IJBORVNMSYILKW-CHWSQXEVSA-N	1	0	347.440	3.527	50	5		EHBARO
O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C3CC3)C3CCCCC3)n2)c1	ZINC000047904057	564029822	/nfs/dbraw/zinc/02/98/22/564029822.db2.gz	LELBKGSKSFFLRO-UHFFFAOYSA-N	1	0	342.399	3.942	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000084535955	564068658	/nfs/dbraw/zinc/06/86/58/564068658.db2.gz	NALOIRGPVQOPSQ-HNNXBMFYSA-N	1	0	329.375	3.810	50	5		EHBARO
O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1	ZINC000239425943	564106904	/nfs/dbraw/zinc/10/69/04/564106904.db2.gz	VMVFYBOTXPMUBU-VQTJNVASSA-N	1	0	343.471	3.824	50	5		EHBARO
Cc1ccc2c(c1)[C@H]1C[N+](C)(C)CC[C@H]1N2C(=O)c1ccc(F)cc1	ZINC000003177945	564155691	/nfs/dbraw/zinc/15/56/91/564155691.db2.gz	IVBVDXQEVAKUFM-UYAOXDASSA-N	1	0	339.434	3.727	50	5		EHBARO
C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000054992153	214263963	/nfs/dbraw/zinc/26/39/63/214263963.db2.gz	DECJMTOOXJAAQQ-UHFFFAOYSA-N	1	0	339.439	3.691	50	5		EHBARO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000000568269	209667595	/nfs/dbraw/zinc/66/75/95/209667595.db2.gz	HGWVGTRMENRXAY-UHFFFAOYSA-N	1	0	341.411	3.997	50	5		EHBARO
Fc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCCC1	ZINC000009419532	211081332	/nfs/dbraw/zinc/08/13/32/211081332.db2.gz	NKTMVQCJRXCTDR-UHFFFAOYSA-N	1	0	334.398	3.973	50	5		EHBARO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(=O)Nc1ccccc1	ZINC000024864674	563876996	/nfs/dbraw/zinc/87/69/96/563876996.db2.gz	SIBIGAJWQDVGGE-CQSZACIVSA-N	1	0	327.384	3.616	50	5		EHBARO
O=[N+]([O-])c1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1	ZINC000584904385	563967522	/nfs/dbraw/zinc/96/75/22/563967522.db2.gz	WMHFDTREBMQOCE-PMACEKPBSA-N	1	0	343.471	3.824	50	5		EHBARO
CC(C)CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1	ZINC000048364336	564031561	/nfs/dbraw/zinc/03/15/61/564031561.db2.gz	AQGPTCWCRCWJKO-UHFFFAOYSA-N	1	0	330.388	3.655	50	5		EHBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(-n2cccn2)cc1	ZINC000016420365	564085987	/nfs/dbraw/zinc/08/59/87/564085987.db2.gz	UVVXEFBEEPRWSE-HNNXBMFYSA-N	1	0	336.395	3.974	50	5		EHBARO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000252486035	564119349	/nfs/dbraw/zinc/11/93/49/564119349.db2.gz	COUDLCBJUJGUEX-MALQSCRYSA-N	1	0	338.473	3.634	50	5		EHBARO
C[C@H](CCc1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004729758	210262452	/nfs/dbraw/zinc/26/24/52/210262452.db2.gz	ZWGSZJOTHVROSV-BEFAXECRSA-N	1	0	328.412	3.581	50	5		EHBARO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000000514995	563339942	/nfs/dbraw/zinc/33/99/42/563339942.db2.gz	RGNXVOVOGXDZFZ-UHFFFAOYSA-N	1	0	339.395	3.833	50	5		EHBARO
CCOC(=O)c1cnc2c3ccccc3ccc2c1NCC[NH+](C)C	ZINC000000098435	563981487	/nfs/dbraw/zinc/98/14/87/563981487.db2.gz	SBHIFTIUVDWWMO-UHFFFAOYSA-N	1	0	337.423	3.538	50	5		EHBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(=O)Nc1ccccc1	ZINC000024864680	564034172	/nfs/dbraw/zinc/03/41/72/564034172.db2.gz	SIBIGAJWQDVGGE-AWEZNQCLSA-N	1	0	327.384	3.616	50	5		EHBARO
C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000095467605	564141133	/nfs/dbraw/zinc/14/11/33/564141133.db2.gz	MXVMIXBJSROOLD-NSHDSACASA-N	1	0	345.365	3.780	50	5		EHBARO
O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000031621158	564159598	/nfs/dbraw/zinc/15/95/98/564159598.db2.gz	XHRLLVGCWKWTDF-UHFFFAOYSA-N	1	0	339.395	3.833	50	5		EHBARO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(c3ccccc3)CCCC1)C2	ZINC000100747618	219106054	/nfs/dbraw/zinc/10/60/54/219106054.db2.gz	IOFDNVXRSUAVQX-BWTSREIZSA-N	1	0	328.476	3.811	50	5	biogenic	EHBARO
O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cc1	ZINC000095462502	564140829	/nfs/dbraw/zinc/14/08/29/564140829.db2.gz	XFISPBHUWCIJFL-UHFFFAOYSA-N	1	0	334.379	3.760	50	5		EHBARO
O=[N+]([O-])c1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)cc1	ZINC000059424655	564161227	/nfs/dbraw/zinc/16/12/27/564161227.db2.gz	UUFOZEFSVJAWEY-UHFFFAOYSA-N	1	0	331.460	3.683	50	5		EHBARO
C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000054992040	214263657	/nfs/dbraw/zinc/26/36/57/214263657.db2.gz	CIWDMWYXQSCNGH-UHFFFAOYSA-N	1	0	339.439	3.691	50	5		EHBARO
Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-]	ZINC000040512033	213328995	/nfs/dbraw/zinc/32/89/95/213328995.db2.gz	OPIRHVOHCHEPQW-UHFFFAOYSA-N	1	0	339.395	3.751	50	5		EHBARO
O=C(CC[N@@H+]1C[C@@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000230126667	242235584	/nfs/dbraw/zinc/23/55/84/242235584.db2.gz	CYTJZALDUBAMOV-WMLDXEAASA-N	1	0	331.416	3.578	50	5		EHBARO
CCSC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1	ZINC000095423067	218365212	/nfs/dbraw/zinc/36/52/12/218365212.db2.gz	HQUXJHNZLFRHJX-CQSZACIVSA-N	1	0	338.473	3.856	50	5		EHBARO
COc1ccccc1NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004749434	210268374	/nfs/dbraw/zinc/26/83/74/210268374.db2.gz	XQJUSJYGLQLJSZ-UHFFFAOYSA-N	1	0	341.411	3.680	50	5		EHBARO
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1CCCC1	ZINC000065623090	564108537	/nfs/dbraw/zinc/10/85/37/564108537.db2.gz	PXKJOQWFGMASAX-UHFFFAOYSA-N	1	0	339.395	3.751	50	5		EHBARO
CC(C)[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1	ZINC000058138719	564157719	/nfs/dbraw/zinc/15/77/19/564157719.db2.gz	JPMRTAZVWXOANF-INIZCTEOSA-N	1	0	334.397	3.872	50	5		EHBARO
C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]12	ZINC000051765946	214103160	/nfs/dbraw/zinc/10/31/60/214103160.db2.gz	NWUJOMYKIVREAM-XWIAVFTESA-N	1	0	346.427	3.862	50	5		EHBARO
C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21	ZINC000008126833	564162891	/nfs/dbraw/zinc/16/28/91/564162891.db2.gz	DUPPJMYJNFPBBF-SFHVURJKSA-N	1	0	339.395	3.543	50	5		EHBARO
CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1	ZINC000053143382	214166838	/nfs/dbraw/zinc/16/68/38/214166838.db2.gz	MIHBUMPKVCRARR-SFHVURJKSA-N	1	0	342.395	3.948	50	5		EHBARO
CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	ZINC000039979620	213248146	/nfs/dbraw/zinc/24/81/46/213248146.db2.gz	FDCOIGFBPDQLIC-LJQANCHMSA-N	1	0	342.395	3.853	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)o2)cc1	ZINC000071924522	563665635	/nfs/dbraw/zinc/66/56/35/563665635.db2.gz	VVHNFFJIZFVNTL-UHFFFAOYSA-N	1	0	341.411	3.571	50	5		EHBARO
COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC	ZINC000005577878	564005723	/nfs/dbraw/zinc/00/57/23/564005723.db2.gz	TVLFCBDSKNDCPN-UKRRQHHQSA-N	1	0	334.416	3.767	50	5		EHBARO
CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1	ZINC000025236790	564053853	/nfs/dbraw/zinc/05/38/53/564053853.db2.gz	OJWCHCWKQMPVLS-QGZVFWFLSA-N	1	0	348.447	3.617	50	5		EHBARO
COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000040067045	213256307	/nfs/dbraw/zinc/25/63/07/213256307.db2.gz	QHHFZWKEDLFGJP-KRWDZBQOSA-N	1	0	342.395	3.949	50	5		EHBARO
COc1cc2c[n+](C)c3c(ccc4cc5c(cc43)OCO5)c2cc1OC	ZINC000000898732	209694507	/nfs/dbraw/zinc/69/45/07/209694507.db2.gz	KKMPSGJPCCJYRV-UHFFFAOYSA-N	1	0	348.378	3.717	50	5	biogenic,in-vitro	EHBARO
O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Cc3ccccc3)CC2)c1	ZINC000004832868	210292600	/nfs/dbraw/zinc/29/26/00/210292600.db2.gz	WWDZNZODFVWNFR-UHFFFAOYSA-N	1	0	340.423	3.928	50	5		EHBARO
CC[NH+](CC)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000004491879	563733101	/nfs/dbraw/zinc/73/31/01/563733101.db2.gz	PZKUSJLTKDVNCX-SFHVURJKSA-N	1	0	342.395	3.835	50	5		EHBARO
COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC	ZINC000005729755	564024026	/nfs/dbraw/zinc/02/40/26/564024026.db2.gz	TVLFCBDSKNDCPN-DZGCQCFKSA-N	1	0	334.416	3.767	50	5		EHBARO
C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012674503	564062535	/nfs/dbraw/zinc/06/25/35/564062535.db2.gz	QIUDIZALHQKGFX-UGSOOPFHSA-N	1	0	339.395	3.663	50	5		EHBARO
O=C(c1ccccc1)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1	ZINC000075103613	564080044	/nfs/dbraw/zinc/08/00/44/564080044.db2.gz	ZBQUWCCKNNWIPC-UHFFFAOYSA-N	1	0	345.358	3.915	50	5		EHBARO
CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1	ZINC000001730540	209788094	/nfs/dbraw/zinc/78/80/94/209788094.db2.gz	KKSJQQXZULJWIM-UHFFFAOYSA-N	1	0	326.460	3.848	50	5		EHBARO
CCN1CCC([NH2+][C@@H]2CCCc3c4cc([N+](=O)[O-])ccc4[nH]c32)CC1	ZINC000005032129	210368356	/nfs/dbraw/zinc/36/83/56/210368356.db2.gz	PWBFNNRPJWBPEF-GOSISDBHSA-N	1	0	342.443	3.527	50	5		EHBARO
C[N@@H+]1C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)C1	ZINC000005525654	564004955	/nfs/dbraw/zinc/00/49/55/564004955.db2.gz	ADSQMWMNCUJMRN-IAGOWNOFSA-N	1	0	344.798	3.776	50	5		EHBARO
COc1ccc(-c2c[nH+]c(NCc3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000000819157	564035248	/nfs/dbraw/zinc/03/52/48/564035248.db2.gz	OAFXRSOWXKMIQA-UHFFFAOYSA-N	1	0	338.367	3.616	50	5		EHBARO
COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000253390420	564130421	/nfs/dbraw/zinc/13/04/21/564130421.db2.gz	HXWREKZJCQRPNT-JMQRRBCDSA-N	1	0	344.475	3.661	50	5	biogenic	EHBARO
O=[N+]([O-])c1cccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)c1	ZINC000005410576	564003714	/nfs/dbraw/zinc/00/37/14/564003714.db2.gz	IUWUXFNRRMJABN-UHFFFAOYSA-N	1	0	344.440	3.630	50	5		EHBARO
CCC(CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+]1CCCC1	ZINC000075611238	564089879	/nfs/dbraw/zinc/08/98/79/564089879.db2.gz	RMJDGJFEJWSRAJ-KRWDZBQOSA-N	1	0	347.459	3.534	50	5		EHBARO
COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000007719481	564122215	/nfs/dbraw/zinc/12/22/15/564122215.db2.gz	XPIFXAFLTFFHOJ-SFHVURJKSA-N	1	0	342.395	3.949	50	5		EHBARO
CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000225409506	564134435	/nfs/dbraw/zinc/13/44/35/564134435.db2.gz	DHQRPKHZKBCQBA-ZDUSSCGKSA-N	1	0	329.400	3.735	50	5		EHBARO
O=C(CC[N@@H+]1C[C@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000230126672	242235451	/nfs/dbraw/zinc/23/54/51/242235451.db2.gz	CYTJZALDUBAMOV-RHSMWYFYSA-N	1	0	331.416	3.578	50	5		EHBARO
COc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCCC1	ZINC000009419199	211081279	/nfs/dbraw/zinc/08/12/79/211081279.db2.gz	UZKLPFOIGOGWTE-UHFFFAOYSA-N	1	0	346.434	3.842	50	5		EHBARO
C[C@H]1CCC[N@H+](Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)C1	ZINC000032932637	563843035	/nfs/dbraw/zinc/84/30/35/563843035.db2.gz	DPUXXQNFRPKODM-AWEZNQCLSA-N	1	0	326.400	3.965	50	5		EHBARO
O=[N+]([O-])c1cc2c(c(Br)c1)[N+](=O)C1(CCCCC1)N2O	ZINC000033920778	564000661	/nfs/dbraw/zinc/00/06/61/564000661.db2.gz	QRADXGFUIFYXJC-UHFFFAOYSA-N	1	0	343.157	3.637	50	5		EHBARO
CN(C(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000083869431	564064085	/nfs/dbraw/zinc/06/40/85/564064085.db2.gz	KJHNSPZYLYPMAB-SFHVURJKSA-N	1	0	345.443	3.602	50	5		EHBARO
COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000040067047	213256980	/nfs/dbraw/zinc/25/69/80/213256980.db2.gz	QHHFZWKEDLFGJP-QGZVFWFLSA-N	1	0	342.395	3.949	50	5		EHBARO
COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])cc1OC	ZINC000000182869	209470704	/nfs/dbraw/zinc/47/07/04/209470704.db2.gz	IGAPHNZQVKZOAC-UHFFFAOYSA-N	1	0	346.427	3.526	50	5		EHBARO
O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1	ZINC000032903069	563789851	/nfs/dbraw/zinc/78/98/51/563789851.db2.gz	HCNHTRWJEFFAJO-HNNXBMFYSA-N	1	0	345.424	3.822	50	5		EHBARO
C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000005674915	564018040	/nfs/dbraw/zinc/01/80/40/564018040.db2.gz	AXALBGBASWZXSN-DKENDCILSA-N	1	0	330.428	3.529	50	5		EHBARO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(F)c1	ZINC000000819097	564035260	/nfs/dbraw/zinc/03/52/60/564035260.db2.gz	VNEVUJNXBPWGAS-UHFFFAOYSA-N	1	0	326.331	3.747	50	5		EHBARO
O=[N+]([O-])c1cc(CN(Cc2ccsc2)C2CC2)c2c(c1)COCO2	ZINC000084618509	564069124	/nfs/dbraw/zinc/06/91/24/564069124.db2.gz	PKALFFCVGSTKCI-UHFFFAOYSA-N	1	0	346.408	3.687	50	5		EHBARO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(-n2cccn2)cc1	ZINC000016420364	564085990	/nfs/dbraw/zinc/08/59/90/564085990.db2.gz	UVVXEFBEEPRWSE-OAHLLOKOSA-N	1	0	336.395	3.974	50	5		EHBARO
CC1=C(c2cccs2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O	ZINC000136181661	564129537	/nfs/dbraw/zinc/12/95/37/564129537.db2.gz	LOIFVUSAPNVCPD-HNNXBMFYSA-N	1	0	332.361	3.701	50	5		EHBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccs1	ZINC000058140485	564157715	/nfs/dbraw/zinc/15/77/15/564157715.db2.gz	ILKGJAXQFGKUMI-ZDUSSCGKSA-N	1	0	347.440	3.986	50	5		EHBARO
O=C(CC[N@@H+]1C[C@H]2CCCCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000084405421	564068050	/nfs/dbraw/zinc/06/80/50/564068050.db2.gz	CYTJZALDUBAMOV-PBHICJAKSA-N	1	0	331.416	3.578	50	5		EHBARO
C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@@H]12	ZINC000241470638	564122819	/nfs/dbraw/zinc/12/28/19/564122819.db2.gz	NWUJOMYKIVREAM-BVGQSLNGSA-N	1	0	346.427	3.862	50	5		EHBARO
C[C@@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004117520	564160626	/nfs/dbraw/zinc/16/06/26/564160626.db2.gz	RLTJMSYXAHMHKI-OAHLLOKOSA-N	1	0	340.427	3.520	50	5		EHBARO
O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1	ZINC000069350356	215384503	/nfs/dbraw/zinc/38/45/03/215384503.db2.gz	OLAQWFRSIFNSFA-FQEVSTJZSA-N	1	0	337.423	3.794	50	5		EHBARO
O=[N+]([O-])c1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1	ZINC000095435728	218378847	/nfs/dbraw/zinc/37/88/47/218378847.db2.gz	RHMCLGBDBLHJKD-VQIMIIECSA-N	1	0	326.396	3.852	50	5		EHBARO
COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC	ZINC000004989052	210351057	/nfs/dbraw/zinc/35/10/57/210351057.db2.gz	TVLFCBDSKNDCPN-HIFRSBDPSA-N	1	0	334.416	3.767	50	5		EHBARO
O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+](C3CC3)CC2)o1	ZINC000071924523	563665797	/nfs/dbraw/zinc/66/57/97/563665797.db2.gz	FQENLUDVQPJASK-UHFFFAOYSA-N	1	0	341.411	3.571	50	5		EHBARO
COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000012981161	564135758	/nfs/dbraw/zinc/13/57/58/564135758.db2.gz	UWHLUMUMRNYUQC-GOSISDBHSA-N	1	0	342.395	3.949	50	5		EHBARO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1ccc(F)cc1F	ZINC000004678461	210243868	/nfs/dbraw/zinc/24/38/68/210243868.db2.gz	GUNACSZIUBLRNR-UHFFFAOYSA-N	1	0	344.321	3.886	50	5		EHBARO
C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000095420164	218360751	/nfs/dbraw/zinc/36/07/51/218360751.db2.gz	BEKCZYYTCYOSFU-OAHLLOKOSA-N	1	0	336.395	3.690	50	5		EHBARO
COc1ccc2nc3ccc(OC)cc3c(SCCC[NH3+])c2c1	ZINC000090609740	564120213	/nfs/dbraw/zinc/12/02/13/564120213.db2.gz	ZFOMCSNUEHMROO-UHFFFAOYSA-N	1	0	328.437	3.846	50	5		EHBARO
C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000095467606	564141139	/nfs/dbraw/zinc/14/11/39/564141139.db2.gz	MXVMIXBJSROOLD-LLVKDONJSA-N	1	0	345.365	3.780	50	5		EHBARO
CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000096479099	564148524	/nfs/dbraw/zinc/14/85/24/564148524.db2.gz	COUDLCBJUJGUEX-YYVJSBQZSA-N	1	0	338.473	3.634	50	5		EHBARO
CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000031538561	564159500	/nfs/dbraw/zinc/15/95/00/564159500.db2.gz	QCEXTAPCYVHZAO-UHFFFAOYSA-N	1	0	327.384	3.689	50	5		EHBARO
C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004020585	210101533	/nfs/dbraw/zinc/10/15/33/210101533.db2.gz	OEZYOXZAUKYBEC-ZOFZFIDBSA-N	1	0	344.455	3.823	50	5		EHBARO
O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2CCCCC2)c2c(c1)COCO2	ZINC000048008860	564029941	/nfs/dbraw/zinc/02/99/41/564029941.db2.gz	CEWQMUDTEHPXTN-UHFFFAOYSA-N	1	0	332.400	3.758	50	5		EHBARO
COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000007719482	564122232	/nfs/dbraw/zinc/12/22/32/564122232.db2.gz	XPIFXAFLTFFHOJ-GOSISDBHSA-N	1	0	342.395	3.949	50	5		EHBARO
C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21	ZINC000029484324	564153534	/nfs/dbraw/zinc/15/35/34/564153534.db2.gz	YREOGOHGCDNAAS-GOSISDBHSA-N	1	0	340.379	3.581	50	5		EHBARO
Cc1ccc2c(c1)[C@H]1C[N+](C)(C)CC[C@@H]1N2C(=O)c1ccc(F)cc1	ZINC000003177946	564155699	/nfs/dbraw/zinc/15/56/99/564155699.db2.gz	IVBVDXQEVAKUFM-QUCCMNQESA-N	1	0	339.434	3.727	50	5		EHBARO
CC1CCC([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1	ZINC000051802042	214104332	/nfs/dbraw/zinc/10/43/32/214104332.db2.gz	TTZYBAAOSNIGOJ-UHFFFAOYSA-N	1	0	330.388	3.655	50	5		EHBARO
CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C	ZINC000004698378	210252115	/nfs/dbraw/zinc/25/21/15/210252115.db2.gz	KFRNQIBSBJPMSR-HNNXBMFYSA-N	1	0	333.432	3.723	50	5		EHBARO
O=[N+]([O-])c1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1Cl	ZINC000021085101	212204139	/nfs/dbraw/zinc/20/41/39/212204139.db2.gz	IMYRAKNYVMMXFX-MRXNPFEDSA-N	1	0	327.771	3.965	50	5		EHBARO
COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000095420443	218360973	/nfs/dbraw/zinc/36/09/73/218360973.db2.gz	DIBUFECAZLLBFU-ZDUSSCGKSA-N	1	0	343.383	3.932	50	5		EHBARO
Cc1ccc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1[N+](=O)[O-]	ZINC000069711130	563644406	/nfs/dbraw/zinc/64/44/06/563644406.db2.gz	WYHWAUDXAINASF-UHFFFAOYSA-N	1	0	340.427	3.578	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310275	563947510	/nfs/dbraw/zinc/94/75/10/563947510.db2.gz	IFIICLFNJKGRAU-ZFWWWQNUSA-N	1	0	342.399	3.657	50	5		EHBARO
C[C@@H](CCc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000005610572	564006387	/nfs/dbraw/zinc/00/63/87/564006387.db2.gz	ZWGSZJOTHVROSV-HNAYVOBHSA-N	1	0	328.412	3.581	50	5		EHBARO
C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1	ZINC000005689398	564018866	/nfs/dbraw/zinc/01/88/66/564018866.db2.gz	DBIYQTYVUCLMPZ-IBGZPJMESA-N	1	0	336.395	3.858	50	5		EHBARO
C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012674522	564062524	/nfs/dbraw/zinc/06/25/24/564062524.db2.gz	QIUDIZALHQKGFX-SCLBCKFNSA-N	1	0	339.395	3.663	50	5		EHBARO
C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21	ZINC000029484326	564153526	/nfs/dbraw/zinc/15/35/26/564153526.db2.gz	YREOGOHGCDNAAS-SFHVURJKSA-N	1	0	340.379	3.581	50	5		EHBARO
CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1	ZINC000070857103	564174459	/nfs/dbraw/zinc/17/44/59/564174459.db2.gz	JHAUJNMELXEICN-INIZCTEOSA-N	1	0	333.435	3.601	50	5		EHBARO
CC(C)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000010929467	211196153	/nfs/dbraw/zinc/19/61/53/211196153.db2.gz	TWGFMJMDKGQTNK-UHFFFAOYSA-N	1	0	342.395	3.872	50	5		EHBARO
Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc([N+](=O)[O-])c1	ZINC000000819110	564035250	/nfs/dbraw/zinc/03/52/50/564035250.db2.gz	FUVXZVJJSJOUJI-UHFFFAOYSA-N	1	0	326.331	3.747	50	5		EHBARO
C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	ZINC000012553309	564059263	/nfs/dbraw/zinc/05/92/63/564059263.db2.gz	JTIOVWRQPWGUFP-ZDUSSCGKSA-N	1	0	343.305	3.921	50	5		EHBARO
CCOCc1ccc2oc(C(=O)O[C@H](C)CC[N+](C)(C)C)cc2c1	ZINC000002299401	564131845	/nfs/dbraw/zinc/13/18/45/564131845.db2.gz	CDVWYKIUVSUIMU-CQSZACIVSA-N	1	0	334.436	3.611	50	5		EHBARO
O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC[C@H]3C(F)(F)F)nc2c1	ZINC000124414742	564138072	/nfs/dbraw/zinc/13/80/72/564138072.db2.gz	RWUSNRXKSNUGNO-GHMZBOCLSA-N	1	0	343.305	3.947	50	5		EHBARO
O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1	ZINC000071886844	563387692	/nfs/dbraw/zinc/38/76/92/563387692.db2.gz	GWNXGPHAQKWHSZ-UHFFFAOYSA-N	1	0	336.388	3.591	50	5		EHBARO
O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1	ZINC000071886831	563387722	/nfs/dbraw/zinc/38/77/22/563387722.db2.gz	ZYAFEMRNIAQTBR-UHFFFAOYSA-N	1	0	330.359	3.529	50	5		EHBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1	ZINC000034868149	563919903	/nfs/dbraw/zinc/91/99/03/563919903.db2.gz	VCUJXKBHPJPBAQ-SJCJKPOMSA-N	1	0	334.803	3.975	50	5		EHBARO
CC1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1	ZINC000012916971	564078075	/nfs/dbraw/zinc/07/80/75/564078075.db2.gz	ZABMKXCRPUBNSB-UHFFFAOYSA-N	1	0	340.427	3.834	50	5		EHBARO
CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000225409466	564134462	/nfs/dbraw/zinc/13/44/62/564134462.db2.gz	DHQRPKHZKBCQBA-CYBMUJFWSA-N	1	0	329.400	3.735	50	5		EHBARO
CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000058218438	564158115	/nfs/dbraw/zinc/15/81/15/564158115.db2.gz	OJYUSTPAISZXBM-UHFFFAOYSA-N	1	0	347.802	3.712	50	5		EHBARO
COc1c([N+](=O)[O-])ccc(C[NH2+]Cc2cccs2)c1OC(F)F	ZINC000048367103	213932441	/nfs/dbraw/zinc/93/24/41/213932441.db2.gz	TTYKASWGIIBBOA-UHFFFAOYSA-N	1	0	344.339	3.556	50	5		EHBARO
COc1ccc2c3ccc4cc5c(cc4c3[n+](C)cc2c1OC)OCO5	ZINC000003872044	210082201	/nfs/dbraw/zinc/08/22/01/210082201.db2.gz	LLEJIEBFSOEYIV-UHFFFAOYSA-N	1	0	348.378	3.717	50	5	biogenic,in-vitro	EHBARO
CC1CC[NH+]([C@@H](CNc2ncccc2[N+](=O)[O-])c2ccccc2)CC1	ZINC000060451831	563963569	/nfs/dbraw/zinc/96/35/69/563963569.db2.gz	NPINZANQECYGMF-SFHVURJKSA-N	1	0	340.427	3.875	50	5		EHBARO
C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000005674907	564018031	/nfs/dbraw/zinc/01/80/31/564018031.db2.gz	AXALBGBASWZXSN-ZSWVUIPGSA-N	1	0	330.428	3.529	50	5		EHBARO
CCC(CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012791070	564135539	/nfs/dbraw/zinc/13/55/39/564135539.db2.gz	LEXSCYKKWVXFDX-QGZVFWFLSA-N	1	0	348.447	3.617	50	5		EHBARO
CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000012974373	564135730	/nfs/dbraw/zinc/13/57/30/564135730.db2.gz	PXPSLDBTBWJDGJ-UHFFFAOYSA-N	1	0	341.411	3.997	50	5		EHBARO
O=[N+]([O-])c1ccc(OCCCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000002844573	564152823	/nfs/dbraw/zinc/15/28/23/564152823.db2.gz	XEDVBYLUISOGOO-UHFFFAOYSA-N	1	0	326.396	3.812	50	5		EHBARO
Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000058306840	564158501	/nfs/dbraw/zinc/15/85/01/564158501.db2.gz	RWPCQSFTWDAENS-SCLBCKFNSA-N	1	0	348.447	3.535	50	5		EHBARO
CCOc1cc2c(cc1OCC)[C@H](c1ccc([N+](=O)[O-])cc1)[NH2+]CC2	ZINC000020507018	212141280	/nfs/dbraw/zinc/14/12/80/212141280.db2.gz	XHXUPIZCAFUAFZ-IBGZPJMESA-N	1	0	342.395	3.627	50	5		EHBARO
Cc1ccccc1C[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000095369484	218301640	/nfs/dbraw/zinc/30/16/40/218301640.db2.gz	KUACAWWNHBMNPO-UHFFFAOYSA-N	1	0	343.402	3.755	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1	ZINC000072313260	563929497	/nfs/dbraw/zinc/92/94/97/563929497.db2.gz	IZWCNOSVQAYGMD-LJQANCHMSA-N	1	0	341.386	3.543	50	5		EHBARO
C[NH+](C)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21	ZINC000000379031	563991887	/nfs/dbraw/zinc/99/18/87/563991887.db2.gz	KRXYGGQSPLHKGY-UHFFFAOYSA-N	1	0	334.379	3.813	50	5		EHBARO
COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016419934	564085972	/nfs/dbraw/zinc/08/59/72/564085972.db2.gz	XZAJIRTXLBBQFS-CYBMUJFWSA-N	1	0	328.368	3.574	50	5		EHBARO
C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1	ZINC000328586361	564136443	/nfs/dbraw/zinc/13/64/43/564136443.db2.gz	BAJHFWNJMOCHAM-CYBMUJFWSA-N	1	0	340.358	3.770	50	5		EHBARO
Cc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)oc3=[NH2+])cc1	ZINC000005572688	564005758	/nfs/dbraw/zinc/00/57/58/564005758.db2.gz	FHPJJGVQRZNBLC-UHFFFAOYSA-N	1	0	341.374	3.811	50	5		EHBARO
COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	ZINC000253390378	564130404	/nfs/dbraw/zinc/13/04/04/564130404.db2.gz	CLQKCDMPKLFWQF-SVANLYTISA-N	1	0	344.475	3.661	50	5	biogenic	EHBARO
C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21	ZINC000008126831	564162862	/nfs/dbraw/zinc/16/28/62/564162862.db2.gz	DUPPJMYJNFPBBF-GOSISDBHSA-N	1	0	339.395	3.543	50	5		EHBARO
C[C@@H](CCc1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004729757	210262029	/nfs/dbraw/zinc/26/20/29/210262029.db2.gz	ZWGSZJOTHVROSV-KXBFYZLASA-N	1	0	328.412	3.581	50	5		EHBARO
C[N+](C)(C)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000008843567	211008760	/nfs/dbraw/zinc/00/87/60/211008760.db2.gz	OSVKKDKCGPVJAE-MYZSEDEFSA-N	1	0	344.519	3.600	50	5		EHBARO
O=[N+]([O-])c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1	ZINC000584904387	563967529	/nfs/dbraw/zinc/96/75/29/563967529.db2.gz	WMHFDTREBMQOCE-WOJBJXKFSA-N	1	0	343.471	3.824	50	5		EHBARO
C[NH+](C)CCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004277465	210159528	/nfs/dbraw/zinc/15/95/28/210159528.db2.gz	XLOGXGBPYYBSJM-UHFFFAOYSA-N	1	0	325.718	3.631	50	5		EHBARO
O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1	ZINC000069350357	215384750	/nfs/dbraw/zinc/38/47/50/215384750.db2.gz	OLAQWFRSIFNSFA-HXUWFJFHSA-N	1	0	337.423	3.794	50	5		EHBARO
CC(=O)c1ccc(NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])c1	ZINC000021791027	212250715	/nfs/dbraw/zinc/25/07/15/212250715.db2.gz	YBQWWBAHCHWCMW-UHFFFAOYSA-N	1	0	333.432	3.864	50	5		EHBARO
O=[N+]([O-])c1cc(CN(Cc2ccccc2)C2CC2)c2c(c1)COCO2	ZINC000025122909	564053286	/nfs/dbraw/zinc/05/32/86/564053286.db2.gz	UQTCESWISBMDIH-UHFFFAOYSA-N	1	0	340.379	3.626	50	5		EHBARO
CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000057863872	564156280	/nfs/dbraw/zinc/15/62/80/564156280.db2.gz	IMNSXRZHKIRGAT-HNNXBMFYSA-N	1	0	334.416	3.862	50	5		EHBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1	ZINC000004315206	210166870	/nfs/dbraw/zinc/16/68/70/210166870.db2.gz	DIPOULFVXSDKJN-UHFFFAOYSA-N	1	0	336.395	3.851	50	5		EHBARO
Cc1c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-]	ZINC000095420309	218360695	/nfs/dbraw/zinc/36/06/95/218360695.db2.gz	MSNWUDHJRIBJJJ-HNNXBMFYSA-N	1	0	340.427	3.618	50	5		EHBARO
O=[N+]([O-])c1cccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)c1	ZINC000015684921	563790541	/nfs/dbraw/zinc/79/05/41/563790541.db2.gz	OSMDEGDMCDFPHT-UHFFFAOYSA-N	1	0	338.412	3.836	50	5		EHBARO
O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1	ZINC000046054567	564029369	/nfs/dbraw/zinc/02/93/69/564029369.db2.gz	FZTDBERQTGWLCP-CJNGLKHVSA-N	1	0	342.399	3.799	50	5		EHBARO
CC(C)[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000017281371	564116864	/nfs/dbraw/zinc/11/68/64/564116864.db2.gz	ZQDDCVSEKJFWDW-UHFFFAOYSA-N	1	0	331.338	3.898	50	5		EHBARO
CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000057863874	564156252	/nfs/dbraw/zinc/15/62/52/564156252.db2.gz	IMNSXRZHKIRGAT-OAHLLOKOSA-N	1	0	334.416	3.862	50	5		EHBARO
Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000058306841	564158515	/nfs/dbraw/zinc/15/85/15/564158515.db2.gz	RWPCQSFTWDAENS-ACJLOTCBSA-N	1	0	348.447	3.535	50	5		EHBARO
CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1	ZINC000053143385	214166283	/nfs/dbraw/zinc/16/62/83/214166283.db2.gz	MIHBUMPKVCRARR-GOSISDBHSA-N	1	0	342.395	3.948	50	5		EHBARO
COc1ccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000004678583	210243914	/nfs/dbraw/zinc/24/39/14/210243914.db2.gz	PYIZANBIZACIOU-UHFFFAOYSA-N	1	0	338.367	3.616	50	5		EHBARO
O=[N+]([O-])c1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1	ZINC000005572152	564005698	/nfs/dbraw/zinc/00/56/98/564005698.db2.gz	KAFDMQKVEYYSQF-UHFFFAOYSA-N	1	0	344.394	3.934	50	5		EHBARO
C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012672583	564062520	/nfs/dbraw/zinc/06/25/20/564062520.db2.gz	LQGULOGKDQRVHD-FZKQIMNGSA-N	1	0	339.395	3.663	50	5		EHBARO
CC(C)(CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCCCC1	ZINC000012797934	564135615	/nfs/dbraw/zinc/13/56/15/564135615.db2.gz	SVPTYRMTFLYUMC-UHFFFAOYSA-N	1	0	328.416	3.819	50	5		EHBARO
C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000072578074	216277492	/nfs/dbraw/zinc/27/74/92/216277492.db2.gz	AXJCARHWAGSXGD-ZDUSSCGKSA-N	1	0	349.431	3.645	50	5		EHBARO
O=[N+]([O-])c1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1Cl	ZINC000021085098	212204512	/nfs/dbraw/zinc/20/45/12/212204512.db2.gz	IMYRAKNYVMMXFX-INIZCTEOSA-N	1	0	327.771	3.965	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C3CC3)C3CCCCC3)n2)cc1	ZINC000048342878	564031220	/nfs/dbraw/zinc/03/12/20/564031220.db2.gz	YBSKMGVXKPXKPC-UHFFFAOYSA-N	1	0	342.399	3.942	50	5		EHBARO
Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccs2)cccc1[N+](=O)[O-]	ZINC000058140858	564157759	/nfs/dbraw/zinc/15/77/59/564157759.db2.gz	XEHVRPIEPLTMSL-ZDUSSCGKSA-N	1	0	347.440	3.986	50	5		EHBARO
Cc1ccc(-c2c[n+](Cc3ccc([N+](=O)[O-])cc3)c3n2CCC3)cc1	ZINC000013776634	211635992	/nfs/dbraw/zinc/63/59/92/211635992.db2.gz	PQAIZTVLWVWDFQ-UHFFFAOYSA-N	1	0	334.399	3.654	50	5		EHBARO
O=[N+]([O-])c1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1	ZINC000095435726	218378496	/nfs/dbraw/zinc/37/84/96/218378496.db2.gz	RHMCLGBDBLHJKD-QFBILLFUSA-N	1	0	326.396	3.852	50	5		EHBARO
CC1CC[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1	ZINC000012924324	564078461	/nfs/dbraw/zinc/07/84/61/564078461.db2.gz	OQNRHOMDNNLVIC-UHFFFAOYSA-N	1	0	340.427	3.834	50	5		EHBARO
CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000024928426	212448378	/nfs/dbraw/zinc/44/83/78/212448378.db2.gz	NZWYBGJSFXBPKF-UHFFFAOYSA-N	1	0	341.411	3.618	50	5		EHBARO
CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1	ZINC000012792861	211458793	/nfs/dbraw/zinc/45/87/93/211458793.db2.gz	KCPOJHFVXAJRCI-KRWDZBQOSA-N	1	0	348.447	3.617	50	5		EHBARO
C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccs1	ZINC000012557488	211410502	/nfs/dbraw/zinc/41/05/02/211410502.db2.gz	SOHKLGPUDRHCKJ-INIZCTEOSA-N	1	0	342.424	3.919	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1	ZINC000095350401	218284957	/nfs/dbraw/zinc/28/49/57/218284957.db2.gz	ZGFCDDKLQBTTIK-HXUWFJFHSA-N	1	0	337.423	3.794	50	5		EHBARO
O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl	ZINC000004990297	210352844	/nfs/dbraw/zinc/35/28/44/210352844.db2.gz	STMMJRFZWSLONJ-UHFFFAOYSA-N	1	0	345.830	3.566	50	5		EHBARO
CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1	ZINC000071820729	564111276	/nfs/dbraw/zinc/11/12/76/564111276.db2.gz	DRLRFDULUJBDFM-MRXNPFEDSA-N	1	0	333.435	3.602	50	5		EHBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccs1	ZINC000058441799	564159143	/nfs/dbraw/zinc/15/91/43/564159143.db2.gz	FOGVIBIFPMXADY-CYBMUJFWSA-N	1	0	347.440	3.986	50	5		EHBARO
CC(C)(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000040555872	213350178	/nfs/dbraw/zinc/35/01/78/213350178.db2.gz	SGJFXEFJYZYRPA-OAHLLOKOSA-N	1	0	347.440	3.632	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)cc1	ZINC000072309391	563916699	/nfs/dbraw/zinc/91/66/99/563916699.db2.gz	WYGREZHMTFYIHD-IBGZPJMESA-N	1	0	341.386	3.543	50	5		EHBARO
C[C@@H](CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1	ZINC000004980822	563993614	/nfs/dbraw/zinc/99/36/14/563993614.db2.gz	SPVGXIWVYYXBFB-KRWDZBQOSA-N	1	0	339.439	3.911	50	5		EHBARO
CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[N+]3(C)CCCC3)O2)cc1	ZINC000000536308	564022146	/nfs/dbraw/zinc/02/21/46/564022146.db2.gz	KHXWWYCKNCJMQT-WOJBJXKFSA-N	1	0	332.508	3.899	50	5		EHBARO
CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000195541205	564123686	/nfs/dbraw/zinc/12/36/86/564123686.db2.gz	COUDLCBJUJGUEX-XGGYBDDLSA-N	1	0	338.473	3.634	50	5		EHBARO
CCCCOc1ccc(C(=O)OCCC[N+](C)(CC)CC)c(O)c1	ZINC000822876855	717191857	/nfs/dbraw/zinc/19/18/57/717191857.db2.gz	GEYIFYRITOGRNN-UHFFFAOYSA-O	1	0	338.468	3.604	50	5		EHBARO
Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000095419987	218360443	/nfs/dbraw/zinc/36/04/43/218360443.db2.gz	QOQMDICVNQKKPB-OAHLLOKOSA-N	1	0	340.427	3.749	50	5		EHBARO
O=[N+]([O-])c1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1	ZINC000095435727	218378245	/nfs/dbraw/zinc/37/82/45/218378245.db2.gz	RHMCLGBDBLHJKD-LPHOPBHVSA-N	1	0	326.396	3.852	50	5		EHBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310262	563947500	/nfs/dbraw/zinc/94/75/00/563947500.db2.gz	IFIICLFNJKGRAU-HIFRSBDPSA-N	1	0	342.399	3.657	50	5		EHBARO
C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1	ZINC000005689399	564018846	/nfs/dbraw/zinc/01/88/46/564018846.db2.gz	DBIYQTYVUCLMPZ-LJQANCHMSA-N	1	0	336.395	3.858	50	5		EHBARO
C[N@@H+]1C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2)C1	ZINC000106341653	564026378	/nfs/dbraw/zinc/02/63/78/564026378.db2.gz	ADSQMWMNCUJMRN-IRXDYDNUSA-N	1	0	344.798	3.776	50	5		EHBARO
Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000058306845	564158524	/nfs/dbraw/zinc/15/85/24/564158524.db2.gz	RWPCQSFTWDAENS-FZKQIMNGSA-N	1	0	348.447	3.535	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1	ZINC000004007975	564159943	/nfs/dbraw/zinc/15/99/43/564159943.db2.gz	NZHUALWXUCPQJC-UHFFFAOYSA-N	1	0	341.455	3.542	50	5		EHBARO
CC[NH+](CC)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004715811	210257644	/nfs/dbraw/zinc/25/76/44/210257644.db2.gz	OOKDLLRHKGULHY-UHFFFAOYSA-N	1	0	327.384	3.689	50	5		EHBARO
CC(C)(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000040555874	213350259	/nfs/dbraw/zinc/35/02/59/213350259.db2.gz	SGJFXEFJYZYRPA-HNNXBMFYSA-N	1	0	347.440	3.632	50	5		EHBARO
Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000095419988	218360636	/nfs/dbraw/zinc/36/06/36/218360636.db2.gz	QOQMDICVNQKKPB-HNNXBMFYSA-N	1	0	340.427	3.749	50	5		EHBARO
C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012672574	564062543	/nfs/dbraw/zinc/06/25/43/564062543.db2.gz	LQGULOGKDQRVHD-SCLBCKFNSA-N	1	0	339.395	3.663	50	5		EHBARO
CCC(CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[NH+]1CCCC1	ZINC000075611235	564089869	/nfs/dbraw/zinc/08/98/69/564089869.db2.gz	RMJDGJFEJWSRAJ-QGZVFWFLSA-N	1	0	347.459	3.534	50	5		EHBARO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(C)(C)CCc2ccccc21	ZINC000252494733	564119642	/nfs/dbraw/zinc/11/96/42/564119642.db2.gz	OCYVIUOIYFLYJL-OAHLLOKOSA-N	1	0	328.416	3.522	50	5		EHBARO
C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1cccs1	ZINC000042110175	564174639	/nfs/dbraw/zinc/17/46/39/564174639.db2.gz	TVHWFTOEQYFDMF-HNNXBMFYSA-N	1	0	342.424	3.919	50	5		EHBARO
Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	ZINC000055543292	132195782	/nfs/dbraw/zinc/19/57/82/132195782.db2.gz	ZJHSWCSBEBLEDN-UHFFFAOYSA-N	1	0	325.412	3.534	50	5		EHBARO
C[C@@H]1CCC[N@H+](Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)C1	ZINC000032932636	563843066	/nfs/dbraw/zinc/84/30/66/563843066.db2.gz	DPUXXQNFRPKODM-CQSZACIVSA-N	1	0	326.400	3.965	50	5		EHBARO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccncc21	ZINC000046228915	563915991	/nfs/dbraw/zinc/91/59/91/563915991.db2.gz	ORPKYVATNVQLQA-MRXNPFEDSA-N	1	0	348.406	3.829	50	5		EHBARO
C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023282865	563976486	/nfs/dbraw/zinc/97/64/86/563976486.db2.gz	RMHHGPJNRRDBLT-KRWDZBQOSA-N	1	0	339.439	3.738	50	5		EHBARO
COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	ZINC000253390377	564130426	/nfs/dbraw/zinc/13/04/26/564130426.db2.gz	CLQKCDMPKLFWQF-IBMXMCEKSA-N	1	0	344.475	3.661	50	5	biogenic	EHBARO
COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1	ZINC000008063229	564162499	/nfs/dbraw/zinc/16/24/99/564162499.db2.gz	SVRUMXGYCSTJDO-KRWDZBQOSA-N	1	0	349.818	3.972	50	5		EHBARO
C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]12	ZINC000229750453	242196083	/nfs/dbraw/zinc/19/60/83/242196083.db2.gz	NWUJOMYKIVREAM-JEBQAFNWSA-N	1	0	346.427	3.862	50	5		EHBARO
O=[N+]([O-])c1cc(C[NH2+]CCCn2cnc3ccccc32)ccc1Cl	ZINC000008718512	210989455	/nfs/dbraw/zinc/98/94/55/210989455.db2.gz	MZMPOKZSAGMQOO-UHFFFAOYSA-N	1	0	344.802	3.778	50	5		EHBARO
O=C(CC[NH2+]CC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1	ZINC000010384395	211168749	/nfs/dbraw/zinc/16/87/49/211168749.db2.gz	BVJPSNBRAQUCFG-UHFFFAOYSA-N	1	0	342.439	3.974	50	5		EHBARO
O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1	ZINC000005032615	210369092	/nfs/dbraw/zinc/36/90/92/210369092.db2.gz	VMVFYBOTXPMUBU-UXHICEINSA-N	1	0	343.471	3.824	50	5		EHBARO
C[C@H]1C[C@H](C)C[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000032935523	563845241	/nfs/dbraw/zinc/84/52/41/563845241.db2.gz	ISINTOQWTLUUNS-KBPBESRZSA-N	1	0	328.416	3.533	50	5		EHBARO
COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	ZINC000000144097	563987173	/nfs/dbraw/zinc/98/71/73/563987173.db2.gz	STQHBIBHBPJTNY-UHFFFAOYSA-N	1	0	337.335	3.982	50	5		EHBARO
C[C@H](CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1	ZINC000004980826	563993625	/nfs/dbraw/zinc/99/36/25/563993625.db2.gz	SPVGXIWVYYXBFB-QGZVFWFLSA-N	1	0	339.439	3.911	50	5		EHBARO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000557470	564023170	/nfs/dbraw/zinc/02/31/70/564023170.db2.gz	SMLCXMRCUKSWER-UHFFFAOYSA-N	1	0	327.384	3.689	50	5		EHBARO
CCOCc1ccc2oc(C(=O)O[C@@H](C)CC[N+](C)(C)C)cc2c1	ZINC000002299400	564131841	/nfs/dbraw/zinc/13/18/41/564131841.db2.gz	CDVWYKIUVSUIMU-AWEZNQCLSA-N	1	0	334.436	3.611	50	5		EHBARO
C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccco1	ZINC000069893976	564172669	/nfs/dbraw/zinc/17/26/69/564172669.db2.gz	KSCWXRJRYVGFJU-UHFFFAOYSA-N	1	0	327.340	3.517	50	5		EHBARO
C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004745705	210268932	/nfs/dbraw/zinc/26/89/32/210268932.db2.gz	BIEOANCICWLMHB-IYBDPMFKSA-N	1	0	331.460	3.537	50	5		EHBARO
O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1	ZINC000032903068	563789892	/nfs/dbraw/zinc/78/98/92/563789892.db2.gz	HCNHTRWJEFFAJO-OAHLLOKOSA-N	1	0	345.424	3.822	50	5		EHBARO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1	ZINC000034868150	563919917	/nfs/dbraw/zinc/91/99/17/563919917.db2.gz	VCUJXKBHPJPBAQ-PXAZEXFGSA-N	1	0	334.803	3.975	50	5		EHBARO
Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2cccs2)cccc1[N+](=O)[O-]	ZINC000058140868	564157779	/nfs/dbraw/zinc/15/77/79/564157779.db2.gz	XEHVRPIEPLTMSL-CYBMUJFWSA-N	1	0	347.440	3.986	50	5		EHBARO
Cc1ccc2c(c1)[C@@H]1C[N+](C)(C)CC[C@H]1N2C(=O)c1ccc(F)cc1	ZINC000003177942	209973758	/nfs/dbraw/zinc/97/37/58/209973758.db2.gz	IVBVDXQEVAKUFM-AZUAARDMSA-N	1	0	339.434	3.727	50	5		EHBARO
CCC(CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012791075	211457317	/nfs/dbraw/zinc/45/73/17/211457317.db2.gz	LEXSCYKKWVXFDX-KRWDZBQOSA-N	1	0	348.447	3.617	50	5		EHBARO
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cc1	ZINC000008063230	564003925	/nfs/dbraw/zinc/00/39/25/564003925.db2.gz	SVRUMXGYCSTJDO-QGZVFWFLSA-N	1	0	349.818	3.972	50	5		EHBARO
O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1	ZINC000239425942	564106907	/nfs/dbraw/zinc/10/69/07/564106907.db2.gz	VMVFYBOTXPMUBU-PMACEKPBSA-N	1	0	343.471	3.824	50	5		EHBARO
C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012342828	564135167	/nfs/dbraw/zinc/13/51/67/564135167.db2.gz	FUTKCIHHGAEIBO-BMRADRMJSA-N	1	0	337.423	3.820	50	5		EHBARO
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000095968422	564143219	/nfs/dbraw/zinc/14/32/19/564143219.db2.gz	LEWDZQOOOJFQJV-OAHLLOKOSA-N	1	0	340.427	3.618	50	5		EHBARO
CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C	ZINC000004698377	210251584	/nfs/dbraw/zinc/25/15/84/210251584.db2.gz	KFRNQIBSBJPMSR-OAHLLOKOSA-N	1	0	333.432	3.723	50	5		EHBARO
CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](C[N+]3(C)CCCC3)O2)cc1	ZINC000000536307	209653641	/nfs/dbraw/zinc/65/36/41/209653641.db2.gz	KHXWWYCKNCJMQT-UXHICEINSA-N	1	0	332.508	3.899	50	5		EHBARO
CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1	ZINC000072308226	563916085	/nfs/dbraw/zinc/91/60/85/563916085.db2.gz	KOBLBFRSVCFQCV-CQSZACIVSA-N	1	0	330.384	3.762	50	5		EHBARO
C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]12	ZINC000241470639	564122855	/nfs/dbraw/zinc/12/28/55/564122855.db2.gz	NWUJOMYKIVREAM-FSPWUOQZSA-N	1	0	346.427	3.862	50	5		EHBARO
CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1	ZINC000072308225	563983645	/nfs/dbraw/zinc/98/36/45/563983645.db2.gz	KOBLBFRSVCFQCV-AWEZNQCLSA-N	1	0	330.384	3.762	50	5		EHBARO
O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000000446913	563999542	/nfs/dbraw/zinc/99/95/42/563999542.db2.gz	RUWZXNJEPJDJKE-UHFFFAOYSA-N	1	0	345.830	3.566	50	5		EHBARO
COc1cccc(-c2c[nH+]c(NCc3cccc([N+](=O)[O-])c3)n2C)c1	ZINC000000819154	564034710	/nfs/dbraw/zinc/03/47/10/564034710.db2.gz	MCMKACYQVCVTBE-UHFFFAOYSA-N	1	0	338.367	3.616	50	5		EHBARO
CC1CC[NH+]([C@H](CNc2ncccc2[N+](=O)[O-])c2ccccc2)CC1	ZINC000084698023	564069705	/nfs/dbraw/zinc/06/97/05/564069705.db2.gz	NPINZANQECYGMF-GOSISDBHSA-N	1	0	340.427	3.875	50	5		EHBARO
O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC[C@@H]3C(F)(F)F)nc2c1	ZINC000124414306	564138005	/nfs/dbraw/zinc/13/80/05/564138005.db2.gz	RWUSNRXKSNUGNO-WDEREUQCSA-N	1	0	343.305	3.947	50	5		EHBARO
C[C@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004117519	564160643	/nfs/dbraw/zinc/16/06/43/564160643.db2.gz	RLTJMSYXAHMHKI-HNNXBMFYSA-N	1	0	340.427	3.520	50	5		EHBARO
CC[NH+](CC)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000004491881	563733153	/nfs/dbraw/zinc/73/31/53/563733153.db2.gz	PZKUSJLTKDVNCX-GOSISDBHSA-N	1	0	342.395	3.835	50	5		EHBARO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000568280	564023238	/nfs/dbraw/zinc/02/32/38/564023238.db2.gz	NXVOPWMYMJELHO-UHFFFAOYSA-N	1	0	327.384	3.689	50	5		EHBARO
C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCCC1	ZINC000025932720	564066908	/nfs/dbraw/zinc/06/69/08/564066908.db2.gz	OBGBMRHNQWGIAI-UHFFFAOYSA-N	1	0	330.388	3.799	50	5		EHBARO
CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1	ZINC000071820728	564111243	/nfs/dbraw/zinc/11/12/43/564111243.db2.gz	DRLRFDULUJBDFM-INIZCTEOSA-N	1	0	333.435	3.602	50	5		EHBARO
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000095968421	564143194	/nfs/dbraw/zinc/14/31/94/564143194.db2.gz	LEWDZQOOOJFQJV-HNNXBMFYSA-N	1	0	340.427	3.618	50	5		EHBARO
O=[N+]([O-])c1cc(F)ccc1N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000070020326	564173366	/nfs/dbraw/zinc/17/33/66/564173366.db2.gz	GCQTWGSIQDENES-UHFFFAOYSA-N	1	0	335.423	3.826	50	5		EHBARO
O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1	ZINC000060755524	132804950	/nfs/dbraw/zinc/80/49/50/132804950.db2.gz	BBELRJOHESFQLN-GOSISDBHSA-N	1	0	337.423	3.794	50	5		EHBARO
O=[N+]([O-])c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1	ZINC000005032611	563919195	/nfs/dbraw/zinc/91/91/95/563919195.db2.gz	WMHFDTREBMQOCE-UXHICEINSA-N	1	0	343.471	3.824	50	5		EHBARO
C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1cccs1	ZINC000012557489	564059377	/nfs/dbraw/zinc/05/93/77/564059377.db2.gz	SOHKLGPUDRHCKJ-MRXNPFEDSA-N	1	0	342.424	3.919	50	5		EHBARO
O=[N+]([O-])c1cccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1	ZINC000239425944	564106931	/nfs/dbraw/zinc/10/69/31/564106931.db2.gz	VMVFYBOTXPMUBU-WOJBJXKFSA-N	1	0	343.471	3.824	50	5		EHBARO
CC(C)Oc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000095495912	564141600	/nfs/dbraw/zinc/14/16/00/564141600.db2.gz	CMHFWFAONXKWLF-UHFFFAOYSA-N	1	0	347.459	3.837	50	5		EHBARO
C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccsc1	ZINC000040153563	213274071	/nfs/dbraw/zinc/27/40/71/213274071.db2.gz	BBHGOBHXUWWGOA-MRXNPFEDSA-N	1	0	342.424	3.919	50	5		EHBARO
C[C@H](CCc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000001215303	564057428	/nfs/dbraw/zinc/05/74/28/564057428.db2.gz	ZWGSZJOTHVROSV-DNVCBOLYSA-N	1	0	328.412	3.581	50	5		EHBARO
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000071826820	564175683	/nfs/dbraw/zinc/17/56/83/564175683.db2.gz	OUICVTZXGWBTEA-QMMMGPOBSA-N	1	0	349.740	3.916	50	5		EHBARO
CC(C)[C@@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1	ZINC000052637157	214137370	/nfs/dbraw/zinc/13/73/70/214137370.db2.gz	RYLMFTBFEUJZKQ-GFCCVEGCSA-N	1	0	330.388	3.654	50	5		EHBARO
OCCN1CC[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000019633684	212052953	/nfs/dbraw/zinc/05/29/53/212052953.db2.gz	MDLYISKQZVAPLL-UHFFFAOYSA-N	1	0	344.458	3.694	50	5		EHBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)cc1	ZINC000072309392	563916666	/nfs/dbraw/zinc/91/66/66/563916666.db2.gz	WYGREZHMTFYIHD-LJQANCHMSA-N	1	0	341.386	3.543	50	5		EHBARO
C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012672556	564062530	/nfs/dbraw/zinc/06/25/30/564062530.db2.gz	LQGULOGKDQRVHD-UGSOOPFHSA-N	1	0	339.395	3.663	50	5		EHBARO
CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1	ZINC000012792853	564135553	/nfs/dbraw/zinc/13/55/53/564135553.db2.gz	KCPOJHFVXAJRCI-QGZVFWFLSA-N	1	0	348.447	3.617	50	5		EHBARO
CCOc1cc2c(cc1OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)[NH2+]CC2	ZINC000020507020	212141020	/nfs/dbraw/zinc/14/10/20/212141020.db2.gz	XHXUPIZCAFUAFZ-LJQANCHMSA-N	1	0	342.395	3.627	50	5		EHBARO
O=[N+]([O-])c1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1	ZINC000095435729	218378412	/nfs/dbraw/zinc/37/84/12/218378412.db2.gz	RHMCLGBDBLHJKD-APWZRJJASA-N	1	0	326.396	3.852	50	5		EHBARO
Cn1c2ccccc2[n+]2nc3c4cccnc4c4ncccc4c3cc12	ZINC000000386989	563992030	/nfs/dbraw/zinc/99/20/30/563992030.db2.gz	MWCZRRSNHJFRNO-UHFFFAOYSA-N	1	0	336.378	3.562	50	5		EHBARO
C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000091503990	564032156	/nfs/dbraw/zinc/03/21/56/564032156.db2.gz	VLPWXFUHGWJIJT-CQSZACIVSA-N	1	0	326.400	3.627	50	5		EHBARO
C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	ZINC000012553312	564059266	/nfs/dbraw/zinc/05/92/66/564059266.db2.gz	JTIOVWRQPWGUFP-CYBMUJFWSA-N	1	0	343.305	3.921	50	5		EHBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccs1	ZINC000058140496	564157736	/nfs/dbraw/zinc/15/77/36/564157736.db2.gz	ILKGJAXQFGKUMI-CYBMUJFWSA-N	1	0	347.440	3.986	50	5		EHBARO
C[C@H](CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023282867	563976489	/nfs/dbraw/zinc/97/64/89/563976489.db2.gz	RMHHGPJNRRDBLT-QGZVFWFLSA-N	1	0	339.439	3.738	50	5		EHBARO
O[C@@H](COCc1ccccc1)C[N+]1(Cc2ccccc2)CCCCC1	ZINC000005446702	564004129	/nfs/dbraw/zinc/00/41/29/564004129.db2.gz	HMPXUGIWTMHPJO-JOCHJYFZSA-N	1	0	340.487	3.765	50	5		EHBARO
C[NH+](C)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1	ZINC000063734899	564076705	/nfs/dbraw/zinc/07/67/05/564076705.db2.gz	SFAUOVLNIHNMIS-UHFFFAOYSA-N	1	0	333.435	3.554	50	5		EHBARO
CC(C)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1	ZINC000058138727	564157740	/nfs/dbraw/zinc/15/77/40/564157740.db2.gz	JPMRTAZVWXOANF-MRXNPFEDSA-N	1	0	334.397	3.872	50	5		EHBARO
CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1	ZINC000070857109	564174472	/nfs/dbraw/zinc/17/44/72/564174472.db2.gz	JHAUJNMELXEICN-MRXNPFEDSA-N	1	0	333.435	3.601	50	5		EHBARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000003336348	210011187	/nfs/dbraw/zinc/01/11/87/210011187.db2.gz	LWVWSEMFENBVFP-UHFFFAOYSA-N	1	0	345.443	3.513	50	5		EHBARO
CC1(C)CC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC(C)(C)[NH2+]1	ZINC000040050207	213255803	/nfs/dbraw/zinc/25/58/03/213255803.db2.gz	KGSKYIHUOLIICW-UHFFFAOYSA-N	1	0	328.416	3.864	50	5		EHBARO
Cc1c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-]	ZINC000095420308	218360678	/nfs/dbraw/zinc/36/06/78/218360678.db2.gz	MSNWUDHJRIBJJJ-OAHLLOKOSA-N	1	0	340.427	3.618	50	5		EHBARO
CCSC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1	ZINC000095423066	218365010	/nfs/dbraw/zinc/36/50/10/218365010.db2.gz	HQUXJHNZLFRHJX-AWEZNQCLSA-N	1	0	338.473	3.856	50	5		EHBARO
CC(C)(C)c1ccc(CC[C@H]2OC[C@H](C[N+]3(C)CCCC3)O2)cc1	ZINC000000536309	564022172	/nfs/dbraw/zinc/02/21/72/564022172.db2.gz	KHXWWYCKNCJMQT-PMACEKPBSA-N	1	0	332.508	3.899	50	5		EHBARO
C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012674513	564062537	/nfs/dbraw/zinc/06/25/37/564062537.db2.gz	QIUDIZALHQKGFX-ACJLOTCBSA-N	1	0	339.395	3.663	50	5		EHBARO
C[C@H](c1cccnc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000266583589	564087918	/nfs/dbraw/zinc/08/79/18/564087918.db2.gz	IUSISFLAKBWPTO-CQSZACIVSA-N	1	0	327.384	3.594	50	5		EHBARO
C[C@@H]1C[C@@H](C)C[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000032935519	212878852	/nfs/dbraw/zinc/87/88/52/212878852.db2.gz	ISINTOQWTLUUNS-ZIAGYGMSSA-N	1	0	328.416	3.533	50	5		EHBARO
C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004745707	210268722	/nfs/dbraw/zinc/26/87/22/210268722.db2.gz	BIEOANCICWLMHB-HOTGVXAUSA-N	1	0	331.460	3.537	50	5		EHBARO
C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012674532	564062550	/nfs/dbraw/zinc/06/25/50/564062550.db2.gz	QIUDIZALHQKGFX-FZKQIMNGSA-N	1	0	339.395	3.663	50	5		EHBARO
CC(C)c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-]	ZINC000075783571	564092904	/nfs/dbraw/zinc/09/29/04/564092904.db2.gz	PTMJWLISJRQNAY-MRXNPFEDSA-N	1	0	328.416	3.619	50	5		EHBARO