smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000012563168	523226990	/nfs/dbraw/zinc/22/69/90/523226990.db2.gz	IYMPYPMOHVLNJD-UHFFFAOYSA-N	1	2	438.937	2.821	50	5		IFBALO
Cc1ccc2sc(N3CC[NH+](CCNC(=O)c4ccc([N+](=O)[O-])o4)CC3)nc2c1C	ZINC000012342241	524100568	/nfs/dbraw/zinc/10/05/68/524100568.db2.gz	KJYIKVDMYJKNCA-UHFFFAOYSA-N	1	2	429.502	2.966	50	5		IFBALO
O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022906823	526493061	/nfs/dbraw/zinc/49/30/61/526493061.db2.gz	NYDHXNGGYKUOQK-QFIPXVFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022906823	526493066	/nfs/dbraw/zinc/49/30/66/526493066.db2.gz	NYDHXNGGYKUOQK-QFIPXVFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1Cl	ZINC000012783642	527339710	/nfs/dbraw/zinc/33/97/10/527339710.db2.gz	KGHZQVMSGFJPNK-UHFFFAOYSA-N	1	2	425.894	2.559	50	5		IFBALO
O=C(NC1CCCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC2(CC1)OCCO2	ZINC000035318097	527514147	/nfs/dbraw/zinc/51/41/47/527514147.db2.gz	PQFKJLFRQIMGLT-HXUWFJFHSA-N	1	2	447.488	2.652	50	5		IFBALO
CN1CC[NH+]([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1	ZINC000032869519	556457725	/nfs/dbraw/zinc/45/77/25/556457725.db2.gz	PAWVASQCJQWCRT-IBGZPJMESA-N	1	2	429.546	2.949	50	5		IFBALO
CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032888214	556510823	/nfs/dbraw/zinc/51/08/23/556510823.db2.gz	VETYKOCGNSMJLU-ZDUSSCGKSA-N	1	2	445.442	2.606	50	5		IFBALO
Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000032926760	556655733	/nfs/dbraw/zinc/65/57/33/556655733.db2.gz	XRFYJLZKYWVDRC-QFIPXVFZSA-N	1	2	435.484	2.892	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129436	556668051	/nfs/dbraw/zinc/66/80/51/556668051.db2.gz	WIQMGZPVMIKVIS-FUMNGEBKSA-N	1	2	437.427	2.877	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129436	556668053	/nfs/dbraw/zinc/66/80/53/556668053.db2.gz	WIQMGZPVMIKVIS-FUMNGEBKSA-N	1	2	437.427	2.877	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129451	556668477	/nfs/dbraw/zinc/66/84/77/556668477.db2.gz	WIQMGZPVMIKVIS-MUGJNUQGSA-N	1	2	437.427	2.877	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129451	556668478	/nfs/dbraw/zinc/66/84/78/556668478.db2.gz	WIQMGZPVMIKVIS-MUGJNUQGSA-N	1	2	437.427	2.877	50	5		IFBALO
COc1ccc(S(=O)(=O)N2CC[NH+](CCSc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000032932883	556676125	/nfs/dbraw/zinc/67/61/25/556676125.db2.gz	WTDVYIRKNCQHAJ-UHFFFAOYSA-N	1	2	437.543	2.702	50	5		IFBALO
CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000026349964	557239363	/nfs/dbraw/zinc/23/93/63/557239363.db2.gz	LUEXAZWGZKUVBD-UHFFFAOYSA-N	1	2	448.567	2.604	50	5		IFBALO
CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000026349964	557239366	/nfs/dbraw/zinc/23/93/66/557239366.db2.gz	LUEXAZWGZKUVBD-UHFFFAOYSA-N	1	2	448.567	2.604	50	5		IFBALO
COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000036329697	563092832	/nfs/dbraw/zinc/09/28/32/563092832.db2.gz	CMNCTROEJYOROF-HNNXBMFYSA-N	1	2	434.518	2.713	50	5		IFBALO
CN(C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21)[C@@H]1CCS(=O)(=O)C1	ZINC000005981474	568739843	/nfs/dbraw/zinc/73/98/43/568739843.db2.gz	JVYNWKMNHNVMNL-CQSZACIVSA-N	1	2	440.550	2.773	50	5		IFBALO
O=c1c2cc3c(ccn(CC[NH+]4CCOCC4)c3=O)nc2ccn1CCC1=CCCCC1	ZINC000036353819	569084103	/nfs/dbraw/zinc/08/41/03/569084103.db2.gz	FYHWYFOITOMLEV-UHFFFAOYSA-N	1	2	434.540	2.934	50	5		IFBALO
Nc1nnc(SCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1	ZINC000055027767	569274582	/nfs/dbraw/zinc/27/45/82/569274582.db2.gz	FZLGPOCBNXHQEW-UHFFFAOYSA-N	1	2	434.469	2.962	50	5		IFBALO
Cc1ccc(OCC[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1	ZINC000019620033	569323360	/nfs/dbraw/zinc/32/33/60/569323360.db2.gz	BVAUIJLLJDAXLB-UHFFFAOYSA-N	1	2	437.452	2.846	50	5		IFBALO
O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000019869015	569331189	/nfs/dbraw/zinc/33/11/89/569331189.db2.gz	JOVIIODLEXYJQJ-UHFFFAOYSA-N	1	2	426.473	2.516	50	5		IFBALO
COCC(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096316930	569393074	/nfs/dbraw/zinc/39/30/74/569393074.db2.gz	ITAZZZOLNBSODV-UHFFFAOYSA-N	1	2	427.505	2.702	50	5		IFBALO
COc1cc(/C=C/C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc2c1OCCO2	ZINC000058025399	569445468	/nfs/dbraw/zinc/44/54/68/569445468.db2.gz	RLOUCOBVAPYLGJ-AATRIKPKSA-N	1	2	439.468	2.732	50	5		IFBALO
O=[N+]([O-])c1ccc(CN2CCOCC[NH+](Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1	ZINC000004257038	569461481	/nfs/dbraw/zinc/46/14/81/569461481.db2.gz	IMMZWSVMUMZQDX-UHFFFAOYSA-N	1	2	444.488	2.854	50	5		IFBALO
O=C(COc1ccc(OCC[NH+]2CCOCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040149487	569492506	/nfs/dbraw/zinc/49/25/06/569492506.db2.gz	OVWRIMSHFRYLQQ-UHFFFAOYSA-N	1	2	435.864	2.977	50	5		IFBALO
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000012562253	525043032	/nfs/dbraw/zinc/04/30/32/525043032.db2.gz	BEPZKLTXWYZQQA-SFHVURJKSA-N	1	2	439.516	2.511	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000012795338	525467390	/nfs/dbraw/zinc/46/73/90/525467390.db2.gz	NYVHVZIFUPZZCJ-CQSZACIVSA-N	1	2	442.472	2.987	50	5		IFBALO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1[N+](=O)[O-]	ZINC000021326015	525600239	/nfs/dbraw/zinc/60/02/39/525600239.db2.gz	SMKBGADNZYQPKT-UHFFFAOYSA-N	1	2	443.485	2.721	50	5		IFBALO
CCOc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])cc1OC	ZINC000024136922	556651464	/nfs/dbraw/zinc/65/14/64/556651464.db2.gz	FSEZANLCDVOJEZ-UHFFFAOYSA-N	1	2	441.484	2.895	50	5		IFBALO
O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000018178907	557245850	/nfs/dbraw/zinc/24/58/50/557245850.db2.gz	SIFSIBAYAFDXME-HDICACEKSA-N	1	2	433.468	2.772	50	5		IFBALO
CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000009630802	562974280	/nfs/dbraw/zinc/97/42/80/562974280.db2.gz	XZKWGPFWKSZOJA-UHFFFAOYSA-N	1	2	449.876	2.937	50	5		IFBALO
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000012941548	568869953	/nfs/dbraw/zinc/86/99/53/568869953.db2.gz	OGPFCHCSLUANIN-UHFFFAOYSA-N	1	2	433.848	2.700	50	5		IFBALO
O=C(Nc1cn(CCc2ccc([N+](=O)[O-])cc2)n[o+]1)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000115926616	569258794	/nfs/dbraw/zinc/25/87/94/569258794.db2.gz	PKMCXFMLHTYSKH-UHFFFAOYSA-O	1	2	444.340	2.573	50	5		IFBALO
COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1	ZINC000009057288	569293266	/nfs/dbraw/zinc/29/32/66/569293266.db2.gz	KCBIIEOPLZOPDD-UHFFFAOYSA-N	1	2	431.489	2.947	50	5		IFBALO
COc1cccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1OC	ZINC000009057291	569293278	/nfs/dbraw/zinc/29/32/78/569293278.db2.gz	KHBLDOMEAUHJST-UHFFFAOYSA-N	1	2	431.489	2.947	50	5		IFBALO
O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000019900217	569331810	/nfs/dbraw/zinc/33/18/10/569331810.db2.gz	KWBANCAFFHEAIE-UHFFFAOYSA-N	1	2	426.473	2.516	50	5		IFBALO
CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000096317940	569393558	/nfs/dbraw/zinc/39/35/58/569393558.db2.gz	HVWJJOALJMUHGK-UHFFFAOYSA-N	1	2	441.532	2.956	50	5		IFBALO
COc1ccccc1CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000057517082	569438667	/nfs/dbraw/zinc/43/86/67/569438667.db2.gz	DWWBNZHFLLJQHW-UHFFFAOYSA-N	1	2	435.484	2.590	50	5		IFBALO
CCc1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cnn1-c1ccc([N+](=O)[O-])cc1	ZINC000030634476	569445384	/nfs/dbraw/zinc/44/53/84/569445384.db2.gz	HSTSFVWCGCKROO-UHFFFAOYSA-N	1	2	436.472	2.505	50	5		IFBALO
COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c(OC)c1	ZINC000008443859	569464533	/nfs/dbraw/zinc/46/45/33/569464533.db2.gz	DHBKJMOOOYEJCB-UHFFFAOYSA-N	1	2	431.489	2.947	50	5		IFBALO
CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286256	569466870	/nfs/dbraw/zinc/46/68/70/569466870.db2.gz	RYUIRNQFRFKWNH-OAQYLSRUSA-N	1	2	436.468	2.824	50	5		IFBALO
CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286256	569466871	/nfs/dbraw/zinc/46/68/71/569466871.db2.gz	RYUIRNQFRFKWNH-OAQYLSRUSA-N	1	2	436.468	2.824	50	5		IFBALO
CCc1ccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1	ZINC000012554912	523922585	/nfs/dbraw/zinc/92/25/85/523922585.db2.gz	RSCPLHLRCLTQAU-UHFFFAOYSA-N	1	2	432.546	2.730	50	5		IFBALO
O=C1N=C2N(CC[NH+]3CCOCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])s1	ZINC000032619732	556409300	/nfs/dbraw/zinc/40/93/00/556409300.db2.gz	YKZQOBYHLIVXPS-LGMDPLHJSA-N	1	2	425.470	2.552	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129441	556668035	/nfs/dbraw/zinc/66/80/35/556668035.db2.gz	WIQMGZPVMIKVIS-FYQPLNBISA-N	1	2	437.427	2.877	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000248129441	556668039	/nfs/dbraw/zinc/66/80/39/556668039.db2.gz	WIQMGZPVMIKVIS-FYQPLNBISA-N	1	2	437.427	2.877	50	5		IFBALO
COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000036329698	563092818	/nfs/dbraw/zinc/09/28/18/563092818.db2.gz	CMNCTROEJYOROF-OAHLLOKOSA-N	1	2	434.518	2.713	50	5		IFBALO
O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12	ZINC000169681746	568992511	/nfs/dbraw/zinc/99/25/11/568992511.db2.gz	UGICZICXRUCYDU-IRLDBZIGSA-N	1	2	444.495	2.569	50	5		IFBALO
CCN(Cc1cccc(F)c1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000036386377	569093086	/nfs/dbraw/zinc/09/30/86/569093086.db2.gz	JYVBPLNCUSZUNH-UHFFFAOYSA-N	1	2	436.509	2.697	50	5		IFBALO
O=C(NCc1ccc(C[NH+]2CCOCC2)o1)Nc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000170616992	569146746	/nfs/dbraw/zinc/14/67/46/569146746.db2.gz	DMRCBIUYOIEBGE-UHFFFAOYSA-N	1	2	426.376	2.943	50	5		IFBALO
COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000057470760	569435586	/nfs/dbraw/zinc/43/55/86/569435586.db2.gz	NQSFZKASIJSBKJ-KRWDZBQOSA-N	1	2	449.511	2.979	50	5		IFBALO
CN(C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21)[C@H]1CCS(=O)(=O)C1	ZINC000008718149	569471257	/nfs/dbraw/zinc/47/12/57/569471257.db2.gz	JVYNWKMNHNVMNL-AWEZNQCLSA-N	1	2	440.550	2.773	50	5		IFBALO
CCN(CC)c1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c[nH+]1	ZINC000040153727	569493601	/nfs/dbraw/zinc/49/36/01/569493601.db2.gz	ANAPSJIAMWLCTM-UHFFFAOYSA-N	1	2	448.549	2.516	50	5		IFBALO
O=C(C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)N1CCCCCC1	ZINC000032806420	556368541	/nfs/dbraw/zinc/36/85/41/556368541.db2.gz	YDBYPOMKKDEKQA-UHFFFAOYSA-N	1	2	425.327	2.882	50	5		IFBALO
O=[N+]([O-])c1ccc(CN2CCc3[nH+]c(N4CCCCC4)nc(N4CCOCC4)c3C2)cc1	ZINC000034755420	568737933	/nfs/dbraw/zinc/73/79/33/568737933.db2.gz	FAWXQXRBSQIXLC-UHFFFAOYSA-N	1	2	438.532	2.770	50	5		IFBALO
O=[N+]([O-])c1ccc(C[N@@H+]2CCc3nc(N4CCCCC4)nc(N4CCOCC4)c3C2)cc1	ZINC000034755420	568737934	/nfs/dbraw/zinc/73/79/34/568737934.db2.gz	FAWXQXRBSQIXLC-UHFFFAOYSA-N	1	2	438.532	2.770	50	5		IFBALO
O=[N+]([O-])c1ccc(C[N@H+]2CCc3nc(N4CCCCC4)nc(N4CCOCC4)c3C2)cc1	ZINC000034755420	568737935	/nfs/dbraw/zinc/73/79/35/568737935.db2.gz	FAWXQXRBSQIXLC-UHFFFAOYSA-N	1	2	438.532	2.770	50	5		IFBALO
Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-]	ZINC000026232105	568875921	/nfs/dbraw/zinc/87/59/21/568875921.db2.gz	IJFDLPMBBFJMRC-MRXNPFEDSA-N	1	2	439.921	2.736	50	5		IFBALO
Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-]	ZINC000026232105	568875923	/nfs/dbraw/zinc/87/59/23/568875923.db2.gz	IJFDLPMBBFJMRC-MRXNPFEDSA-N	1	2	439.921	2.736	50	5		IFBALO
CC[C@H](C)c1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000096317128	569393247	/nfs/dbraw/zinc/39/32/47/569393247.db2.gz	JDVRERWECWAUQW-HNNXBMFYSA-N	1	2	447.561	2.879	50	5		IFBALO
O=C(CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000058210144	569450380	/nfs/dbraw/zinc/45/03/80/569450380.db2.gz	HEJQXBGDRMZKSB-UHFFFAOYSA-N	1	2	446.891	2.776	50	5		IFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000058364742	569453698	/nfs/dbraw/zinc/45/36/98/569453698.db2.gz	OFIJSRVUABCRMV-HXUWFJFHSA-N	1	2	439.447	2.823	50	5		IFBALO
O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCC2(CC1)OCCO2	ZINC000035318096	527515275	/nfs/dbraw/zinc/51/52/75/527515275.db2.gz	PQFKJLFRQIMGLT-FQEVSTJZSA-N	1	2	447.488	2.652	50	5		IFBALO
Nc1nc(CCC[NH+]2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000020462680	527551321	/nfs/dbraw/zinc/55/13/21/527551321.db2.gz	JYFSDHLBILYHEO-UHFFFAOYSA-N	1	2	440.548	2.691	50	5		IFBALO
COc1cc(/C=C\C(=O)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc2c1OCCO2	ZINC000098009197	557017930	/nfs/dbraw/zinc/01/79/30/557017930.db2.gz	RLOUCOBVAPYLGJ-WAYWQWQTSA-N	1	2	439.468	2.732	50	5		IFBALO
O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000048279258	557057386	/nfs/dbraw/zinc/05/73/86/557057386.db2.gz	VQYNBDWZZAKRMS-LBPRGKRZSA-N	1	2	431.836	2.859	50	5		IFBALO
O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000048279258	557057390	/nfs/dbraw/zinc/05/73/90/557057390.db2.gz	VQYNBDWZZAKRMS-LBPRGKRZSA-N	1	2	431.836	2.859	50	5		IFBALO
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000018178905	557245869	/nfs/dbraw/zinc/24/58/69/557245869.db2.gz	SIFSIBAYAFDXME-QZTJIDSGSA-N	1	2	433.468	2.772	50	5		IFBALO
C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	ZINC000024572738	557456282	/nfs/dbraw/zinc/45/62/82/557456282.db2.gz	HCZYQDDSVIUTHM-CYBMUJFWSA-N	1	2	447.542	2.735	50	5		IFBALO
O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000034677976	557840640	/nfs/dbraw/zinc/84/06/40/557840640.db2.gz	RGWRFDAZHYHHKH-UHFFFAOYSA-N	1	2	435.484	2.831	50	5		IFBALO
O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000034677975	557840654	/nfs/dbraw/zinc/84/06/54/557840654.db2.gz	BVKZCZJFUAJGDT-UHFFFAOYSA-N	1	2	435.484	2.831	50	5		IFBALO
O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCC[NH+]1CCOCC1	ZINC000020219664	569356638	/nfs/dbraw/zinc/35/66/38/569356638.db2.gz	ASDAPNQFYWDYGK-NRFANRHFSA-N	1	2	449.463	2.969	50	5		IFBALO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1	ZINC000095469699	569371532	/nfs/dbraw/zinc/37/15/32/569371532.db2.gz	KORNROOTEAWXKL-UHFFFAOYSA-N	1	2	449.920	2.711	50	5		IFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000029081146	569426137	/nfs/dbraw/zinc/42/61/37/569426137.db2.gz	NLAYRDVASOUJJZ-HXUWFJFHSA-N	1	2	439.447	2.823	50	5		IFBALO
CN(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1	ZINC000057710612	569440965	/nfs/dbraw/zinc/44/09/65/569440965.db2.gz	YELRZCMOWHQIRX-UHFFFAOYSA-N	1	2	434.500	2.970	50	5		IFBALO
COc1cc(OC)cc([C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn2C)c1	ZINC000032301417	569461126	/nfs/dbraw/zinc/46/11/26/569461126.db2.gz	LRGHFFLKEJTUFT-SFHVURJKSA-N	1	2	436.428	2.741	50	5		IFBALO
CN(c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21	ZINC000012527332	523640932	/nfs/dbraw/zinc/64/09/32/523640932.db2.gz	LSOSDZQHLDUQNO-LJQANCHMSA-N	1	2	430.530	2.655	50	5		IFBALO
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000020738933	527117746	/nfs/dbraw/zinc/11/77/46/527117746.db2.gz	VAGRTIDYOGVEGC-ROUUACIJSA-N	1	2	435.484	2.996	50	5		IFBALO
O=c1c2cc3c(ccn(-c4ccccc4Cl)c3=O)nc2ccn1CC[NH+]1CCOCC1	ZINC000038829003	556620760	/nfs/dbraw/zinc/62/07/60/556620760.db2.gz	FJRABUIDCLKLBI-UHFFFAOYSA-N	1	2	436.899	2.686	50	5		IFBALO
COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])cc1OC	ZINC000024135121	556650990	/nfs/dbraw/zinc/65/09/90/556650990.db2.gz	JFGGLZLVWDWLBF-UHFFFAOYSA-N	1	2	427.457	2.505	50	5		IFBALO
O=C(NCCc1ccccc1F)C1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000048288001	557053673	/nfs/dbraw/zinc/05/36/73/557053673.db2.gz	XKHPIIIVKDLVOR-UHFFFAOYSA-N	1	2	442.447	2.670	50	5		IFBALO
CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000100044181	557212804	/nfs/dbraw/zinc/21/28/04/557212804.db2.gz	ZKZKZOIXSSYBMD-NRFANRHFSA-N	1	2	438.484	2.838	50	5		IFBALO
CCn1c2ccccc2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1=O	ZINC000020308287	563024485	/nfs/dbraw/zinc/02/44/85/563024485.db2.gz	YQLRJLMEQWCWCJ-UHFFFAOYSA-N	1	2	436.468	2.981	50	5		IFBALO
O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2nc3ccccc3c(=O)n2c1	ZINC000058013916	563143229	/nfs/dbraw/zinc/14/32/29/563143229.db2.gz	RCAFEUFFBSLQNA-UHFFFAOYSA-N	1	2	445.498	2.539	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000248381644	568782576	/nfs/dbraw/zinc/78/25/76/568782576.db2.gz	UPBYRKFPAKVBFS-ANULTFPQSA-N	1	2	433.420	2.708	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000248381644	568782577	/nfs/dbraw/zinc/78/25/77/568782577.db2.gz	UPBYRKFPAKVBFS-ANULTFPQSA-N	1	2	433.420	2.708	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(C)=O	ZINC000016035148	568867618	/nfs/dbraw/zinc/86/76/18/568867618.db2.gz	UPBYRKFPAKVBFS-PLACYPQZSA-N	1	2	433.420	2.708	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(C)=O	ZINC000016035148	568867620	/nfs/dbraw/zinc/86/76/20/568867620.db2.gz	UPBYRKFPAKVBFS-PLACYPQZSA-N	1	2	433.420	2.708	50	5		IFBALO
Cc1cc([N+](=O)[O-])nn1Cc1ccc(-c2n[nH]c(=S)n2CCC[NH+]2CCOCC2)cc1	ZINC000019638485	569324957	/nfs/dbraw/zinc/32/49/57/569324957.db2.gz	XUXYCMOXDVTVAE-UHFFFAOYSA-N	1	2	443.533	2.791	50	5		IFBALO
O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095377624	569363176	/nfs/dbraw/zinc/36/31/76/569363176.db2.gz	JITJUPLNUIUPCJ-UHFFFAOYSA-N	1	2	430.892	2.713	50	5		IFBALO
O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095385693	569363286	/nfs/dbraw/zinc/36/32/86/569363286.db2.gz	SZBBJDLRFOJBAJ-UHFFFAOYSA-N	1	2	448.882	2.852	50	5		IFBALO
CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)CC1	ZINC000012525798	519860095	/nfs/dbraw/zinc/86/00/95/519860095.db2.gz	YNJWYAIWAMDANN-UHFFFAOYSA-N	1	2	434.518	2.936	50	5		IFBALO
CCOC(=O)CSc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-]	ZINC000020664113	520811212	/nfs/dbraw/zinc/81/12/12/520811212.db2.gz	BDVJXOWVJJRJAP-UHFFFAOYSA-N	1	2	430.486	2.607	50	5		IFBALO
CN(Cc1ccccc1Cl)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000012556445	523365608	/nfs/dbraw/zinc/36/56/08/523365608.db2.gz	JYEWNATYVWYTEH-UHFFFAOYSA-N	1	2	438.937	2.821	50	5		IFBALO
Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1	ZINC000032932543	556675695	/nfs/dbraw/zinc/67/56/95/556675695.db2.gz	UGAGLAKWEYVSNI-OAQYLSRUSA-N	1	2	437.500	2.833	50	5		IFBALO
O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12	ZINC000104915564	557464462	/nfs/dbraw/zinc/46/44/62/557464462.db2.gz	UGICZICXRUCYDU-RBBKRZOGSA-N	1	2	444.495	2.569	50	5		IFBALO
CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000015418219	568762001	/nfs/dbraw/zinc/76/20/01/568762001.db2.gz	XVLZLFRMYMOZQV-UHFFFAOYSA-N	1	2	439.516	2.838	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(C)=O	ZINC000248381645	568782611	/nfs/dbraw/zinc/78/26/11/568782611.db2.gz	UPBYRKFPAKVBFS-MHTWAQMVSA-N	1	2	433.420	2.708	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(C)=O	ZINC000248381645	568782612	/nfs/dbraw/zinc/78/26/12/568782612.db2.gz	UPBYRKFPAKVBFS-MHTWAQMVSA-N	1	2	433.420	2.708	50	5		IFBALO
C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)CC1	ZINC000055008638	569274059	/nfs/dbraw/zinc/27/40/59/569274059.db2.gz	SPQZYOCWCJJORL-UHFFFAOYSA-N	1	2	434.378	2.711	50	5		IFBALO
CCc1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1	ZINC000030636659	569445379	/nfs/dbraw/zinc/44/53/79/569445379.db2.gz	KOWLBNQDVWHCTC-UHFFFAOYSA-N	1	2	436.472	2.505	50	5		IFBALO
COc1ccc(-c2noc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1OC	ZINC000013957808	132355664	/nfs/dbraw/zinc/35/56/64/132355664.db2.gz	PDDAROPBJDAUNU-UHFFFAOYSA-N	1	2	425.445	2.984	50	5		IFBALO
C[NH+]1CCN(c2cc(C(=O)c3cc(F)ccc3O)cn3c(=O)c4ccccc4nc23)CC1	ZINC000012782705	523924172	/nfs/dbraw/zinc/92/41/72/523924172.db2.gz	ZTADCONYJLUTRM-UHFFFAOYSA-N	1	2	432.455	2.675	50	5		IFBALO
COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1	ZINC000023392510	524547246	/nfs/dbraw/zinc/54/72/46/524547246.db2.gz	RYYGYIXEEBXIAR-UHFFFAOYSA-N	1	2	430.461	2.970	50	5		IFBALO
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000022527976	526684969	/nfs/dbraw/zinc/68/49/69/526684969.db2.gz	CHNPWWWAVCFIRG-UHFFFAOYSA-N	1	2	449.467	2.526	50	5		IFBALO
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCC[NH+]1CCOCC1	ZINC000020219659	527138632	/nfs/dbraw/zinc/13/86/32/527138632.db2.gz	HFYVNBPLSQNGPN-OAQYLSRUSA-N	1	2	449.463	2.969	50	5		IFBALO
CN1CC[NH+]([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1	ZINC000032869520	556457558	/nfs/dbraw/zinc/45/75/58/556457558.db2.gz	PAWVASQCJQWCRT-LJQANCHMSA-N	1	2	429.546	2.949	50	5		IFBALO
Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1	ZINC000032932544	556675724	/nfs/dbraw/zinc/67/57/24/556675724.db2.gz	UGAGLAKWEYVSNI-NRFANRHFSA-N	1	2	437.500	2.833	50	5		IFBALO
COc1ccc(OCC[NH+]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1	ZINC000048310318	557060612	/nfs/dbraw/zinc/06/06/12/557060612.db2.gz	XDMAWPGGLIAYJS-UHFFFAOYSA-N	1	2	439.472	2.850	50	5		IFBALO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2c[nH+]c3cc(C)c(C)cc32)CC1	ZINC000023424113	557353023	/nfs/dbraw/zinc/35/30/23/557353023.db2.gz	KKWGFFBQKLFEJF-UHFFFAOYSA-N	1	2	443.529	2.834	50	5		IFBALO
O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@H]12	ZINC000104915560	557464493	/nfs/dbraw/zinc/46/44/93/557464493.db2.gz	UGICZICXRUCYDU-IFMALSPDSA-N	1	2	444.495	2.569	50	5		IFBALO
Cc1ccc(Nc2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000015174401	568731838	/nfs/dbraw/zinc/73/18/38/568731838.db2.gz	ITTTZVPINKJZBN-UHFFFAOYSA-N	1	2	434.518	2.647	50	5		IFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000058364745	569453681	/nfs/dbraw/zinc/45/36/81/569453681.db2.gz	OFIJSRVUABCRMV-FQEVSTJZSA-N	1	2	439.447	2.823	50	5		IFBALO
COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cc1OC	ZINC000008443878	569464517	/nfs/dbraw/zinc/46/45/17/569464517.db2.gz	VLWMRTVKNOHOST-UHFFFAOYSA-N	1	2	431.489	2.947	50	5		IFBALO
CCCNC(=O)C[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1	ZINC000040071527	569485757	/nfs/dbraw/zinc/48/57/57/569485757.db2.gz	IVMALROAKWXMHK-UHFFFAOYSA-N	1	2	436.310	2.554	50	5		IFBALO
Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000012559900	527462675	/nfs/dbraw/zinc/46/26/75/527462675.db2.gz	KWMUPUPBGOYJGL-GOSISDBHSA-N	1	2	427.848	2.617	50	5		IFBALO
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000048279261	557057526	/nfs/dbraw/zinc/05/75/26/557057526.db2.gz	VQYNBDWZZAKRMS-GFCCVEGCSA-N	1	2	431.836	2.859	50	5		IFBALO
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000048279261	557057530	/nfs/dbraw/zinc/05/75/30/557057530.db2.gz	VQYNBDWZZAKRMS-GFCCVEGCSA-N	1	2	431.836	2.859	50	5		IFBALO
Cc1ccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000024750199	557133737	/nfs/dbraw/zinc/13/37/37/557133737.db2.gz	LVRAHXHSIVSNOE-IBGZPJMESA-N	1	2	441.875	2.926	50	5		IFBALO
O=C(NCc1ccccc1C[NH+]1CCOCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000018213984	557252660	/nfs/dbraw/zinc/25/26/60/557252660.db2.gz	PKMCWGTZQXOKPL-UHFFFAOYSA-N	1	2	438.528	2.960	50	5		IFBALO
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1	ZINC000020266901	563024374	/nfs/dbraw/zinc/02/43/74/563024374.db2.gz	JDZIERLOPXSINW-RMKNXTFCSA-N	1	2	426.498	2.953	50	5	aggregator	IFBALO
Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-]	ZINC000026232109	568876021	/nfs/dbraw/zinc/87/60/21/568876021.db2.gz	IJFDLPMBBFJMRC-INIZCTEOSA-N	1	2	439.921	2.736	50	5		IFBALO
Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-]	ZINC000026232109	568876023	/nfs/dbraw/zinc/87/60/23/568876023.db2.gz	IJFDLPMBBFJMRC-INIZCTEOSA-N	1	2	439.921	2.736	50	5		IFBALO
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000016361184	568878385	/nfs/dbraw/zinc/87/83/85/568878385.db2.gz	ABLWVCANNMEASE-UHFFFAOYSA-N	1	2	430.486	2.847	50	5		IFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F	ZINC000026884914	568923475	/nfs/dbraw/zinc/92/34/75/568923475.db2.gz	QUTJYQKMDQHCHI-HXUWFJFHSA-N	1	2	439.447	2.823	50	5		IFBALO
Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCC(C)C)C3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000036251503	568984540	/nfs/dbraw/zinc/98/45/40/568984540.db2.gz	UCGIBYJBOBYUAD-NRFANRHFSA-N	1	2	430.549	2.992	50	5		IFBALO
COc1cccc(CN(C)C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1	ZINC000057672187	569440781	/nfs/dbraw/zinc/44/07/81/569440781.db2.gz	TVEQRXOLWLBIOH-UHFFFAOYSA-N	1	2	449.511	2.932	50	5		IFBALO
C[NH+](C)CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc2ccc([N+](=O)[O-])cc2s1	ZINC000009707944	569561818	/nfs/dbraw/zinc/56/18/18/569561818.db2.gz	SCAXTHRIANDHDE-UHFFFAOYSA-N	1	2	448.526	2.816	50	5		IFBALO
CN(c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21	ZINC000012527333	523641539	/nfs/dbraw/zinc/64/15/39/523641539.db2.gz	LSOSDZQHLDUQNO-IBGZPJMESA-N	1	2	430.530	2.655	50	5		IFBALO
O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)C[C@@H]12	ZINC000035870256	526768326	/nfs/dbraw/zinc/76/83/26/526768326.db2.gz	UGICZICXRUCYDU-UNMCSNQZSA-N	1	2	444.495	2.569	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(F)cc1)[N@H+]1CCC[C@@H]21	ZINC000248129446	556668108	/nfs/dbraw/zinc/66/81/08/556668108.db2.gz	WIQMGZPVMIKVIS-LWYYNNOASA-N	1	2	437.427	2.877	50	5		IFBALO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]21	ZINC000248129446	556668109	/nfs/dbraw/zinc/66/81/09/556668109.db2.gz	WIQMGZPVMIKVIS-LWYYNNOASA-N	1	2	437.427	2.877	50	5		IFBALO
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCC[NH+]2CCOCC2)Cc2cccs2)cc1	ZINC000013523860	556676370	/nfs/dbraw/zinc/67/63/70/556676370.db2.gz	FYSBLAANDWPAII-UHFFFAOYSA-N	1	2	425.532	2.570	50	5		IFBALO
O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000072328743	556726483	/nfs/dbraw/zinc/72/64/83/556726483.db2.gz	CLVXBCHMSJFMFB-UHFFFAOYSA-N	1	2	435.440	2.672	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NCC[NH+]1CCOCC1	ZINC000015208319	568732148	/nfs/dbraw/zinc/73/21/48/568732148.db2.gz	AQWDRXAWDJRCAN-UHFFFAOYSA-N	1	2	440.909	2.793	50	5		IFBALO
O=C(NCc1ccco1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000036251636	568984088	/nfs/dbraw/zinc/98/40/88/568984088.db2.gz	BOASCUMPMUJMBL-NRFANRHFSA-N	1	2	440.500	2.821	50	5		IFBALO
Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc2n1C1CC1	ZINC000253404771	569265088	/nfs/dbraw/zinc/26/50/88/569265088.db2.gz	RIYBCLFCKUYPLL-UHFFFAOYSA-N	1	2	428.470	2.921	50	5		IFBALO
COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1	ZINC000057475489	569435772	/nfs/dbraw/zinc/43/57/72/569435772.db2.gz	IMEIPQIXMWDJTE-UHFFFAOYSA-N	1	2	435.484	2.590	50	5		IFBALO
COc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000057473928	569435813	/nfs/dbraw/zinc/43/58/13/569435813.db2.gz	NJYWYZUASMAZIA-UHFFFAOYSA-N	1	2	449.511	2.932	50	5		IFBALO
CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286257	569466859	/nfs/dbraw/zinc/46/68/59/569466859.db2.gz	RYUIRNQFRFKWNH-NRFANRHFSA-N	1	2	436.468	2.824	50	5		IFBALO
CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286257	569466860	/nfs/dbraw/zinc/46/68/60/569466860.db2.gz	RYUIRNQFRFKWNH-NRFANRHFSA-N	1	2	436.468	2.824	50	5		IFBALO
O=C(C[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1)N1CCCC1	ZINC000040071374	569485735	/nfs/dbraw/zinc/48/57/35/569485735.db2.gz	VDAPVMOSNXVWPO-UHFFFAOYSA-N	1	2	448.321	2.650	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(c2cccc[nH+]2)CC1	ZINC000009754542	132328357	/nfs/dbraw/zinc/32/83/57/132328357.db2.gz	PEYDJYLFMGWSLR-UHFFFAOYSA-N	1	2	445.545	2.881	50	5		IFBALO
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000013146708	132345776	/nfs/dbraw/zinc/34/57/76/132345776.db2.gz	SIFSIBAYAFDXME-ROUUACIJSA-N	1	2	433.468	2.772	50	5		IFBALO
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1	ZINC000022227664	520805323	/nfs/dbraw/zinc/80/53/23/520805323.db2.gz	JBXPGJYEKKMNGG-UHFFFAOYSA-N	1	2	430.490	2.818	50	5		IFBALO
COc1ccccc1NC(=O)c1ccc(SCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000020664329	524628302	/nfs/dbraw/zinc/62/83/02/524628302.db2.gz	YFTJHOLEOFJLON-UHFFFAOYSA-N	1	2	444.513	2.722	50	5		IFBALO
Cc1ccccc1C[NH+]1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1	ZINC000012793154	525144987	/nfs/dbraw/zinc/14/49/87/525144987.db2.gz	NVBLDJLIIUWGFQ-UHFFFAOYSA-N	1	2	447.495	2.716	50	5		IFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000012559898	527450632	/nfs/dbraw/zinc/45/06/32/527450632.db2.gz	KWMUPUPBGOYJGL-SFHVURJKSA-N	1	2	427.848	2.617	50	5		IFBALO
CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032888213	556510726	/nfs/dbraw/zinc/51/07/26/556510726.db2.gz	VETYKOCGNSMJLU-CYBMUJFWSA-N	1	2	445.442	2.606	50	5		IFBALO
COc1cc(C)c(C[NH+]2CCN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])CC2)cc1OC	ZINC000025492264	568660012	/nfs/dbraw/zinc/66/00/12/568660012.db2.gz	RRHXGKOLSUDSKW-UHFFFAOYSA-N	1	2	443.500	2.952	50	5		IFBALO
CCS(=O)(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096316920	569393040	/nfs/dbraw/zinc/39/30/40/569393040.db2.gz	AUJFUSUWJQQTMZ-UHFFFAOYSA-N	1	2	445.545	2.633	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329137	569503483	/nfs/dbraw/zinc/50/34/83/569503483.db2.gz	XRFUZDGZJQPXTQ-MBPVOVBZSA-N	1	2	449.463	2.747	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329137	569503484	/nfs/dbraw/zinc/50/34/84/569503484.db2.gz	XRFUZDGZJQPXTQ-MBPVOVBZSA-N	1	2	449.463	2.747	50	5		IFBALO
Cc1cc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)nc(C(C)C)[nH+]1	ZINC000012758038	525080619	/nfs/dbraw/zinc/08/06/19/525080619.db2.gz	RTUXIDAIMITUSW-UHFFFAOYSA-N	1	2	433.534	2.944	50	5		IFBALO
C[C@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F	ZINC000012556431	525660198	/nfs/dbraw/zinc/66/01/98/525660198.db2.gz	ZVKAMZVFRQCFQP-ZDUSSCGKSA-N	1	2	440.472	2.982	50	5		IFBALO
O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022906759	526580608	/nfs/dbraw/zinc/58/06/08/526580608.db2.gz	GIUXCELRYASYJM-JOCHJYFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022906759	526580615	/nfs/dbraw/zinc/58/06/15/526580615.db2.gz	GIUXCELRYASYJM-JOCHJYFZSA-N	1	2	445.479	2.844	50	5		IFBALO
Cc1ccc(OCCNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c(C)c1	ZINC000018062176	557234592	/nfs/dbraw/zinc/23/45/92/557234592.db2.gz	IHPRBNCMKLZJPN-UHFFFAOYSA-N	1	2	448.545	2.639	50	5		IFBALO
Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCC(C)C)C3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000036251505	568984626	/nfs/dbraw/zinc/98/46/26/568984626.db2.gz	UCGIBYJBOBYUAD-OAQYLSRUSA-N	1	2	430.549	2.992	50	5		IFBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)CC1	ZINC000036329693	569076567	/nfs/dbraw/zinc/07/65/67/569076567.db2.gz	VJNORUGFOURJDR-UHFFFAOYSA-N	1	2	443.529	2.667	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000079076594	569324700	/nfs/dbraw/zinc/32/47/00/569324700.db2.gz	FFOSTKCOZKDUTP-LLVKDONJSA-N	1	2	425.454	2.516	50	5		IFBALO
COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000057470761	569435552	/nfs/dbraw/zinc/43/55/52/569435552.db2.gz	NQSFZKASIJSBKJ-QGZVFWFLSA-N	1	2	449.511	2.979	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000217579564	569449191	/nfs/dbraw/zinc/44/91/91/569449191.db2.gz	XRFUZDGZJQPXTQ-SEVLPDGMSA-N	1	2	449.463	2.747	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000217579564	569449192	/nfs/dbraw/zinc/44/91/92/569449192.db2.gz	XRFUZDGZJQPXTQ-SEVLPDGMSA-N	1	2	449.463	2.747	50	5		IFBALO
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000012562252	525043901	/nfs/dbraw/zinc/04/39/01/525043901.db2.gz	BEPZKLTXWYZQQA-GOSISDBHSA-N	1	2	439.516	2.511	50	5		IFBALO
O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022906819	526580666	/nfs/dbraw/zinc/58/06/66/526580666.db2.gz	NYDHXNGGYKUOQK-JOCHJYFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000022906819	526580668	/nfs/dbraw/zinc/58/06/68/526580668.db2.gz	NYDHXNGGYKUOQK-JOCHJYFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=[N+]([O-])c1cccc(S(=O)(=O)N(CCC[NH+]2CCOCC2)Cc2cccs2)c1	ZINC000020685893	527392638	/nfs/dbraw/zinc/39/26/38/527392638.db2.gz	GSAYYPBTMAXPBN-UHFFFAOYSA-N	1	2	425.532	2.570	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cn2cc[nH+]c2)c1	ZINC000032916270	556615040	/nfs/dbraw/zinc/61/50/40/556615040.db2.gz	SFKAFICNVRGMHA-UHFFFAOYSA-N	1	2	443.485	2.604	50	5		IFBALO
O=C1N=C2N(CC[NH+]3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])s1	ZINC000013513132	556666785	/nfs/dbraw/zinc/66/67/85/556666785.db2.gz	YKZQOBYHLIVXPS-GHRIWEEISA-N	1	2	425.470	2.552	50	5		IFBALO
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000102781046	557387194	/nfs/dbraw/zinc/38/71/94/557387194.db2.gz	VAGRTIDYOGVEGC-QZTJIDSGSA-N	1	2	435.484	2.996	50	5		IFBALO
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000102781043	557387257	/nfs/dbraw/zinc/38/72/57/557387257.db2.gz	VAGRTIDYOGVEGC-HDICACEKSA-N	1	2	435.484	2.996	50	5		IFBALO
CCOC(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1	ZINC000024118179	557396415	/nfs/dbraw/zinc/39/64/15/557396415.db2.gz	QQQAMXYEEFJCFP-UHFFFAOYSA-N	1	2	427.457	2.738	50	5		IFBALO
COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCn2cc[nH+]c2)cc1	ZINC000013232962	562985696	/nfs/dbraw/zinc/98/56/96/562985696.db2.gz	COCOFRDDOSWADW-QNGOZBTKSA-N	1	2	449.467	2.777	50	5		IFBALO
COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036267742	568985225	/nfs/dbraw/zinc/98/52/25/568985225.db2.gz	ULHFOFMOKVPWOZ-UHFFFAOYSA-N	1	2	437.456	2.623	50	5		IFBALO
COc1nn(CCC(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-]	ZINC000019633451	569324174	/nfs/dbraw/zinc/32/41/74/569324174.db2.gz	ZOCFBZDGGSJXFX-UHFFFAOYSA-N	1	2	441.410	2.553	50	5		IFBALO
COc1cc(OC)cc([C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn2C)c1	ZINC000032301416	569461095	/nfs/dbraw/zinc/46/10/95/569461095.db2.gz	LRGHFFLKEJTUFT-GOSISDBHSA-N	1	2	436.428	2.741	50	5		IFBALO
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039969271	569482052	/nfs/dbraw/zinc/48/20/52/569482052.db2.gz	NJAKRBYRPFXREG-UHFFFAOYSA-N	1	2	430.848	2.501	50	5		IFBALO
Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])c(C)c1	ZINC000012554610	524400472	/nfs/dbraw/zinc/40/04/72/524400472.db2.gz	HYAYHWGEHXSJJX-UHFFFAOYSA-N	1	2	432.546	2.784	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000035999980	525466285	/nfs/dbraw/zinc/46/62/85/525466285.db2.gz	UPBYRKFPAKVBFS-IVAOSVALSA-N	1	2	433.420	2.708	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000035999980	525466295	/nfs/dbraw/zinc/46/62/95/525466295.db2.gz	UPBYRKFPAKVBFS-IVAOSVALSA-N	1	2	433.420	2.708	50	5		IFBALO
C[C@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000012631731	525659565	/nfs/dbraw/zinc/65/95/65/525659565.db2.gz	YLQNQKWUERIZDR-ZDUSSCGKSA-N	1	2	440.472	2.982	50	5		IFBALO
CC[NH+]1CCC(NC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000014523749	557339368	/nfs/dbraw/zinc/33/93/68/557339368.db2.gz	NJEARRZRKDPTQP-UHFFFAOYSA-N	1	2	446.529	2.539	50	5		IFBALO
O=C(NC1CCCCC1)c1coc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000034678113	557840772	/nfs/dbraw/zinc/84/07/72/557840772.db2.gz	QYUVEFDYRULXFO-UHFFFAOYSA-N	1	2	427.505	2.963	50	5		IFBALO
Cn1cnnc1Sc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000025462804	568660251	/nfs/dbraw/zinc/66/02/51/568660251.db2.gz	JCDDXGRKUHNJIF-UHFFFAOYSA-N	1	2	438.513	2.833	50	5		IFBALO
COc1ccc(OC)c(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1	ZINC000013322859	569155012	/nfs/dbraw/zinc/15/50/12/569155012.db2.gz	QSFUDRCSDILGHU-UHFFFAOYSA-N	1	2	430.461	2.970	50	5		IFBALO
COc1ccc(C[NH+]2CCN(c3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])CC2)cc1F	ZINC000020057800	569332757	/nfs/dbraw/zinc/33/27/57/569332757.db2.gz	BFIXWKJLBBHCIL-UHFFFAOYSA-N	1	2	426.448	2.917	50	5		IFBALO
CCS(=O)(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096316929	569393086	/nfs/dbraw/zinc/39/30/86/569393086.db2.gz	XXUMVJUWNVTZOQ-UHFFFAOYSA-N	1	2	447.561	2.879	50	5		IFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000029081141	569426152	/nfs/dbraw/zinc/42/61/52/569426152.db2.gz	NLAYRDVASOUJJZ-FQEVSTJZSA-N	1	2	439.447	2.823	50	5		IFBALO
CCN(CC)c1ccc(CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c[nH+]1	ZINC000040118603	569489297	/nfs/dbraw/zinc/48/92/97/569489297.db2.gz	LBLKUENZMZIVKB-UHFFFAOYSA-N	1	2	436.472	2.620	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329136	569503437	/nfs/dbraw/zinc/50/34/37/569503437.db2.gz	XRFUZDGZJQPXTQ-LRGNLBRXSA-N	1	2	449.463	2.747	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329136	569503438	/nfs/dbraw/zinc/50/34/38/569503438.db2.gz	XRFUZDGZJQPXTQ-LRGNLBRXSA-N	1	2	449.463	2.747	50	5		IFBALO
CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)[NH+]1CCOCC1	ZINC000012916917	519242364	/nfs/dbraw/zinc/24/23/64/519242364.db2.gz	SHILQFAUVAHEBO-UHFFFAOYSA-N	1	2	427.501	2.791	50	5		IFBALO
CC1CCN(S(=O)(=O)c2ccc(NCC(C)(C)[NH+]3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000012553853	521032278	/nfs/dbraw/zinc/03/22/78/521032278.db2.gz	FMQILYRHVVFWBO-UHFFFAOYSA-N	1	2	440.566	2.538	50	5		IFBALO
CN(Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000012554362	523304907	/nfs/dbraw/zinc/30/49/07/523304907.db2.gz	KMGMMYYHVKUZLD-UHFFFAOYSA-N	1	2	438.937	2.821	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000012795343	525467438	/nfs/dbraw/zinc/46/74/38/525467438.db2.gz	NYVHVZIFUPZZCJ-AWEZNQCLSA-N	1	2	442.472	2.987	50	5		IFBALO
C[C@@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000012631729	525710713	/nfs/dbraw/zinc/71/07/13/525710713.db2.gz	YLQNQKWUERIZDR-CYBMUJFWSA-N	1	2	440.472	2.982	50	5		IFBALO
C[C@@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F	ZINC000012556430	525710743	/nfs/dbraw/zinc/71/07/43/525710743.db2.gz	ZVKAMZVFRQCFQP-CYBMUJFWSA-N	1	2	440.472	2.982	50	5		IFBALO
O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022906763	526493077	/nfs/dbraw/zinc/49/30/77/526493077.db2.gz	GIUXCELRYASYJM-QFIPXVFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022906763	526493083	/nfs/dbraw/zinc/49/30/83/526493083.db2.gz	GIUXCELRYASYJM-QFIPXVFZSA-N	1	2	445.479	2.844	50	5		IFBALO
O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NCC[NH+]1CCOCC1	ZINC000012849516	526594650	/nfs/dbraw/zinc/59/46/50/526594650.db2.gz	RKFYBPHPBFYTAV-UHFFFAOYSA-N	1	2	444.444	2.676	50	5		IFBALO
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCC[NH+]1CCOCC1	ZINC000020219658	527137996	/nfs/dbraw/zinc/13/79/96/527137996.db2.gz	HFYVNBPLSQNGPN-NRFANRHFSA-N	1	2	449.463	2.969	50	5		IFBALO
O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000032848623	556430789	/nfs/dbraw/zinc/43/07/89/556430789.db2.gz	ITUZKNIQTNOQBG-UHFFFAOYSA-N	1	2	431.334	2.772	50	5		IFBALO
Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1	ZINC000032926758	556655712	/nfs/dbraw/zinc/65/57/12/556655712.db2.gz	XRFYJLZKYWVDRC-JOCHJYFZSA-N	1	2	435.484	2.892	50	5		IFBALO
Cc1ccc(CNC(=O)C2CC[NH+](Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1F	ZINC000048288026	557053692	/nfs/dbraw/zinc/05/36/92/557053692.db2.gz	BHIDDGYDEGKHHV-UHFFFAOYSA-N	1	2	442.447	2.936	50	5		IFBALO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1	ZINC000024925037	557223410	/nfs/dbraw/zinc/22/34/10/557223410.db2.gz	CEZQRBRANNYDKK-UHFFFAOYSA-N	1	2	426.498	2.958	50	5		IFBALO
C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	ZINC000024572742	557456259	/nfs/dbraw/zinc/45/62/59/557456259.db2.gz	HCZYQDDSVIUTHM-ZDUSSCGKSA-N	1	2	447.542	2.735	50	5		IFBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(-n3cnc(-c4ccc(F)cc4)c3)c([N+](=O)[O-])c2)CC1	ZINC000095947794	569376458	/nfs/dbraw/zinc/37/64/58/569376458.db2.gz	JFNRNTZPUVEXFX-UHFFFAOYSA-N	1	2	445.476	2.523	50	5		IFBALO
CC[C@@H](C)c1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000096317127	569393229	/nfs/dbraw/zinc/39/32/29/569393229.db2.gz	JDVRERWECWAUQW-OAHLLOKOSA-N	1	2	447.561	2.879	50	5		IFBALO
COc1cc(C(=O)N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c([N+](=O)[O-])cc1OC	ZINC000058216410	569450626	/nfs/dbraw/zinc/45/06/26/569450626.db2.gz	JHMDZACZNUAKCS-UHFFFAOYSA-N	1	2	425.445	2.841	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329129	569503460	/nfs/dbraw/zinc/50/34/60/569503460.db2.gz	XRFUZDGZJQPXTQ-FIRPJDEBSA-N	1	2	449.463	2.747	50	5		IFBALO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(C)cc3)[C@H]2C1=O	ZINC000245329129	569503461	/nfs/dbraw/zinc/50/34/61/569503461.db2.gz	XRFUZDGZJQPXTQ-FIRPJDEBSA-N	1	2	449.463	2.747	50	5		IFBALO
COC(=O)c1ccccc1C(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000012733984	522255723	/nfs/dbraw/zinc/25/57/23/522255723.db2.gz	GDGKDUVPGHHRHE-UHFFFAOYSA-N	1	2	427.457	2.747	50	5		IFBALO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3[nH+]ccn3C)cc2)cc1[N+](=O)[O-]	ZINC000012547395	525598025	/nfs/dbraw/zinc/59/80/25/525598025.db2.gz	CZYNQFGTACODBZ-UHFFFAOYSA-N	1	2	443.485	2.710	50	5		IFBALO
Cc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000024750205	557133770	/nfs/dbraw/zinc/13/37/70/557133770.db2.gz	LVRAHXHSIVSNOE-LJQANCHMSA-N	1	2	441.875	2.926	50	5		IFBALO
O=C(NC1CCCCC1)c1coc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000034678114	557840710	/nfs/dbraw/zinc/84/07/10/557840710.db2.gz	UFPDACJIDQQNMY-UHFFFAOYSA-N	1	2	427.505	2.963	50	5		IFBALO
CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000019721032	563022863	/nfs/dbraw/zinc/02/28/63/563022863.db2.gz	ZKZKZOIXSSYBMD-OAQYLSRUSA-N	1	2	438.484	2.838	50	5		IFBALO
O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016097487	568870132	/nfs/dbraw/zinc/87/01/32/568870132.db2.gz	DBHGBYGQUDVVAF-UHFFFAOYSA-N	1	2	432.864	2.733	50	5		IFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F	ZINC000026884910	568923425	/nfs/dbraw/zinc/92/34/25/568923425.db2.gz	QUTJYQKMDQHCHI-FQEVSTJZSA-N	1	2	439.447	2.823	50	5		IFBALO
O=C(NCc1ccco1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000036251638	568984061	/nfs/dbraw/zinc/98/40/61/568984061.db2.gz	BOASCUMPMUJMBL-OAQYLSRUSA-N	1	2	440.500	2.821	50	5		IFBALO
CC1(C)C[NH+]=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)S1	ZINC000079064095	569300626	/nfs/dbraw/zinc/30/06/26/569300626.db2.gz	HVYBYTNLSUQYAU-UHFFFAOYSA-N	1	2	434.490	2.595	50	5		IFBALO
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000079076597	569324766	/nfs/dbraw/zinc/32/47/66/569324766.db2.gz	FFOSTKCOZKDUTP-NSHDSACASA-N	1	2	425.454	2.516	50	5		IFBALO
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCC[NH+]1CCOCC1	ZINC000020219665	569356674	/nfs/dbraw/zinc/35/66/74/569356674.db2.gz	ASDAPNQFYWDYGK-OAQYLSRUSA-N	1	2	449.463	2.969	50	5		IFBALO