smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000245296160	203814256	/nfs/dbraw/zinc/81/42/56/203814256.db2.gz	KZUFRLKJCLWSAW-MZLICYQSSA-N	1	0	390.544	4.440	50	5		GIBARO
Cc1ccc([N+](=O)[O-])c(OCCOCC[NH+]2CCC(Cc3ccccc3)CC2)c1	ZINC000004832595	204080448	/nfs/dbraw/zinc/08/04/48/204080448.db2.gz	GFDFPAQWLNYUFK-UHFFFAOYSA-N	1	0	398.503	4.253	50	5		GIBARO
O=C(CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000032903212	204927591	/nfs/dbraw/zinc/92/75/91/204927591.db2.gz	DIJWVXHUJOCKSQ-UHFFFAOYSA-N	1	0	392.459	4.284	50	5		GIBARO
Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-]	ZINC000069348944	205273312	/nfs/dbraw/zinc/27/33/12/205273312.db2.gz	OIYQINKQJXNZNG-VXKWHMMOSA-N	1	0	393.487	4.172	50	5		GIBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000024989052	570661738	/nfs/dbraw/zinc/66/17/38/570661738.db2.gz	BNLZWWRNDWCEFS-HNNXBMFYSA-N	1	0	396.443	4.022	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000012693059	570961265	/nfs/dbraw/zinc/96/12/65/570961265.db2.gz	JGMFKOMZQVRNAD-QFBILLFUSA-N	1	0	385.851	4.005	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000012649368	818174125	/nfs/dbraw/zinc/17/41/25/818174125.db2.gz	JRURHCRZVMHPIS-FUHWJXTLSA-N	1	0	385.851	4.005	50	5		GIBARO
C[C@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004455733	204045949	/nfs/dbraw/zinc/04/59/49/204045949.db2.gz	OTXPFTWCIBMJHF-LXGFQCHUSA-N	1	0	398.551	4.363	50	5		GIBARO
CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cccc1Cl	ZINC000014164998	570294056	/nfs/dbraw/zinc/29/40/56/570294056.db2.gz	BQGKUMKYKNFGKK-INIZCTEOSA-N	1	0	386.254	4.433	50	5		GIBARO
O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2c(ccc3ccccc32)o1	ZINC000054105957	570440871	/nfs/dbraw/zinc/44/08/71/570440871.db2.gz	HHHVBKKFHYKREO-UHFFFAOYSA-N	1	0	388.442	4.408	50	5		GIBARO
CC(=O)c1ccc(N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c([N+](=O)[O-])c1	ZINC000032679041	570730225	/nfs/dbraw/zinc/73/02/25/570730225.db2.gz	AXNAFCFUMJUXQG-IBGZPJMESA-N	1	0	395.459	4.198	50	5		GIBARO
C[C@@H]1C[N@@+](C)(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C[C@H](C)O1	ZINC000245229251	717163887	/nfs/dbraw/zinc/16/38/87/717163887.db2.gz	RWPDRSQNAZCJQR-XDSPWSPCSA-N	1	0	392.604	4.394	50	5		GIBARO
O=[N+]([O-])c1cccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)c1	ZINC000004749431	204073744	/nfs/dbraw/zinc/07/37/44/204073744.db2.gz	IYJHYAYNOINYPO-UHFFFAOYSA-N	1	0	390.281	4.434	50	5		GIBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)cc1	ZINC000004819929	204079803	/nfs/dbraw/zinc/07/98/03/204079803.db2.gz	ZXFVXOHVZVRJGX-FQEVSTJZSA-N	1	0	376.497	4.302	50	5		GIBARO
COc1ccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1	ZINC000008724083	204286464	/nfs/dbraw/zinc/28/64/64/204286464.db2.gz	JUFXBLMLAMOHAG-NRFANRHFSA-N	1	0	383.448	4.055	50	5		GIBARO
COc1cccc(C[NH+]2CCC(Nc3ccc4ncccc4c3[N+](=O)[O-])CC2)c1	ZINC000048260953	205116644	/nfs/dbraw/zinc/11/66/44/205116644.db2.gz	MGJOFNDPHVBDDA-UHFFFAOYSA-N	1	0	392.459	4.228	50	5		GIBARO
Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048253194	205117326	/nfs/dbraw/zinc/11/73/26/205117326.db2.gz	JGMXDWRKMJDOEL-INIZCTEOSA-N	1	0	383.477	4.137	50	5		GIBARO
Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000058130540	205163577	/nfs/dbraw/zinc/16/35/77/205163577.db2.gz	ANDJLANSGWJLBH-IBGZPJMESA-N	1	0	389.459	4.047	50	5		GIBARO
Cc1c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cccc1[N+](=O)[O-]	ZINC000012866315	570269498	/nfs/dbraw/zinc/26/94/98/570269498.db2.gz	HRMYZGSVSMICEL-CYBMUJFWSA-N	1	0	384.461	4.144	50	5		GIBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1	ZINC000004749432	204073793	/nfs/dbraw/zinc/07/37/93/204073793.db2.gz	ZENOOLGKIXAHMP-UHFFFAOYSA-N	1	0	390.281	4.434	50	5		GIBARO
CCOc1ccc(-c2c[nH+]c(NCc3ccc([N+](=O)[O-])cc3)n2CCOC)cc1	ZINC000004679106	204063594	/nfs/dbraw/zinc/06/35/94/204063594.db2.gz	JXILHESAAXCAFH-UHFFFAOYSA-N	1	0	396.447	4.116	50	5		GIBARO
Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000040153560	205060235	/nfs/dbraw/zinc/06/02/35/205060235.db2.gz	IBFOUCBTGFYUJK-KRWDZBQOSA-N	1	0	383.477	4.137	50	5		GIBARO
Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-]	ZINC000069348945	205273729	/nfs/dbraw/zinc/27/37/29/205273729.db2.gz	OIYQINKQJXNZNG-FGZHOGPDSA-N	1	0	393.487	4.172	50	5		GIBARO
C[C@@H]1C[N+](C)(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C[C@@H](C)O1	ZINC000017247459	570701928	/nfs/dbraw/zinc/70/19/28/570701928.db2.gz	RWPDRSQNAZCJQR-SBHAEUEKSA-N	1	0	392.604	4.394	50	5		GIBARO
CC(=O)c1ccc(N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c([N+](=O)[O-])c1	ZINC000032679039	570730312	/nfs/dbraw/zinc/73/03/12/570730312.db2.gz	AXNAFCFUMJUXQG-LJQANCHMSA-N	1	0	395.459	4.198	50	5		GIBARO
O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)OCO2	ZINC000019721004	818604285	/nfs/dbraw/zinc/60/42/85/818604285.db2.gz	WFCKVFCWBCCEQH-IBGZPJMESA-N	1	0	376.412	4.397	50	5		GIBARO
O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000022023377	818764882	/nfs/dbraw/zinc/76/48/82/818764882.db2.gz	OFVBTNNAQASOLU-YVNCXZRQSA-N	1	0	380.444	4.063	50	5		GIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1	ZINC000005061266	204108655	/nfs/dbraw/zinc/10/86/55/204108655.db2.gz	PAAXSSXIQHUDQC-UHFFFAOYSA-N	1	0	393.487	4.079	50	5		GIBARO
Cc1ccc([C@H](CN2CCOCC2)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000015143088	570773979	/nfs/dbraw/zinc/77/39/79/570773979.db2.gz	VVSDEEKOENBZQB-IBGZPJMESA-N	1	0	375.856	4.042	50	5		GIBARO
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)n[n+]2-c2cccc3ccccc32)cc1	ZINC000016493517	570926484	/nfs/dbraw/zinc/92/64/84/570926484.db2.gz	DKXKXXOHLYDSPI-UHFFFAOYSA-N	1	0	394.414	4.272	50	5		GIBARO
CC[NH+](CC)C[C@@H](O)Cn1c(C)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21	ZINC000002488397	203947891	/nfs/dbraw/zinc/94/78/91/203947891.db2.gz	BOLSJMUPEQCJLH-LJQANCHMSA-N	1	0	381.476	4.228	50	5		GIBARO
C[C@@H](Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004455734	204046103	/nfs/dbraw/zinc/04/61/03/204046103.db2.gz	OTXPFTWCIBMJHF-DNBYOKIBSA-N	1	0	398.551	4.363	50	5		GIBARO
C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000005094999	204111487	/nfs/dbraw/zinc/11/14/87/204111487.db2.gz	VXBMGHHXQCMLBW-NOCBQHASSA-N	1	0	384.524	4.021	50	5		GIBARO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1	ZINC000010140470	204332021	/nfs/dbraw/zinc/33/20/21/204332021.db2.gz	ODXYDNOJKFYIMI-HNNXBMFYSA-N	1	0	392.459	4.283	50	5		GIBARO
CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000040067709	205048775	/nfs/dbraw/zinc/04/87/75/205048775.db2.gz	LHKCBTXKQMMAHD-UHFFFAOYSA-N	1	0	376.482	4.032	50	5		GIBARO
C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccccc1	ZINC000011614617	570235081	/nfs/dbraw/zinc/23/50/81/570235081.db2.gz	YZVCHWMBLDHNRQ-OAQYLSRUSA-N	1	0	398.462	4.053	50	5		GIBARO
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])cc3)nc2c1C	ZINC000004359371	570701462	/nfs/dbraw/zinc/70/14/62/570701462.db2.gz	UPHMHAUMOITCIF-UHFFFAOYSA-N	1	0	398.488	4.030	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000252461153	570960389	/nfs/dbraw/zinc/96/03/89/570960389.db2.gz	KZUFRLKJCLWSAW-NMMYMHLASA-N	1	0	390.544	4.440	50	5		GIBARO
C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCNc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000007276901	204237463	/nfs/dbraw/zinc/23/74/63/204237463.db2.gz	RRMNPBMLWOOJGU-HNNXBMFYSA-N	1	0	381.432	4.110	50	5		GIBARO
CSc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000010280743	204332563	/nfs/dbraw/zinc/33/25/63/204332563.db2.gz	MUBRAHZBEJTDRS-UHFFFAOYSA-N	1	0	399.516	4.233	50	5		GIBARO
CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037587639	205030086	/nfs/dbraw/zinc/03/00/86/205030086.db2.gz	RLGOFNWWFWYUBA-UHFFFAOYSA-N	1	0	385.439	4.142	50	5		GIBARO
COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Cl)cc1)[N+](C)(C)CC3)OCO2	ZINC000001280483	205708480	/nfs/dbraw/zinc/70/84/80/205708480.db2.gz	DSKDJOXKBPWQJH-MRXNPFEDSA-N	1	0	388.871	4.024	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000023819816	570333144	/nfs/dbraw/zinc/33/31/44/570333144.db2.gz	ZWPITZQYCQDRCF-QFBILLFUSA-N	1	0	385.851	4.005	50	5		GIBARO
O=[N+]([O-])c1ccc2c(cnn2CN2CCC(c3nc4ccccc4s3)CC2)c1	ZINC000023990835	570341447	/nfs/dbraw/zinc/34/14/47/570341447.db2.gz	MIJXSHMAJYCBMU-UHFFFAOYSA-N	1	0	393.472	4.391	50	5		GIBARO
C[NH+](C)CCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1	ZINC000016711393	570907953	/nfs/dbraw/zinc/90/79/53/570907953.db2.gz	CXVXPTLAKYMQRT-MRCUWXFGSA-N	1	0	382.489	4.309	50	5		GIBARO
C[N+](C)(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1	ZINC000091695682	571026788	/nfs/dbraw/zinc/02/67/88/571026788.db2.gz	OBLMXKSOPNFCGP-UHFFFAOYSA-N	1	0	386.825	4.107	50	5		GIBARO
O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1	ZINC000000716199	208478229	/nfs/dbraw/zinc/47/82/29/208478229.db2.gz	NZQQIFZVSVKJRD-UHFFFAOYSA-N	1	0	389.459	4.350	50	5		GIBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000012855321	221238989	/nfs/dbraw/zinc/23/89/89/221238989.db2.gz	MYOFUAYVRZHOMK-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H](C)C[NH+]3CCCCC3)nc12	ZINC000033326954	570981043	/nfs/dbraw/zinc/98/10/43/570981043.db2.gz	IULQYGPZCUNWMA-CYBMUJFWSA-N	1	0	380.521	4.093	50	5		GIBARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000007849890	817937155	/nfs/dbraw/zinc/93/71/55/817937155.db2.gz	YAZBGUFCYPOCNO-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC	ZINC000245296156	206280813	/nfs/dbraw/zinc/28/08/13/206280813.db2.gz	KZUFRLKJCLWSAW-DCLXLUIPSA-N	1	0	390.544	4.440	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000245296169	206281745	/nfs/dbraw/zinc/28/17/45/206281745.db2.gz	KZUFRLKJCLWSAW-SKPFHBQLSA-N	1	0	390.544	4.440	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000001002542	206341530	/nfs/dbraw/zinc/34/15/30/206341530.db2.gz	JRURHCRZVMHPIS-WMZOPIPTSA-N	1	0	385.851	4.005	50	5		GIBARO
O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2c(ccc3ccccc32)o1	ZINC000020412448	207191218	/nfs/dbraw/zinc/19/12/18/207191218.db2.gz	MNBLMRMWUMIHFZ-UHFFFAOYSA-N	1	0	384.479	4.264	50	5		GIBARO
CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037580720	571034437	/nfs/dbraw/zinc/03/44/37/571034437.db2.gz	JGJHWFVUMYVFCH-UHFFFAOYSA-N	1	0	381.476	4.311	50	5		GIBARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003449481	817457982	/nfs/dbraw/zinc/45/79/82/817457982.db2.gz	UMIVBEZKNIEEHV-UHFFFAOYSA-N	1	0	379.888	4.167	50	5		GIBARO
COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c([N+](=O)[O-])cc1OC	ZINC000001231666	206369547	/nfs/dbraw/zinc/36/95/47/206369547.db2.gz	DGZRJNNCKUGHIJ-UHFFFAOYSA-N	1	0	380.444	4.173	50	5		GIBARO
O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1	ZINC000079109582	570510042	/nfs/dbraw/zinc/51/00/42/570510042.db2.gz	YHTANZQVWAUDQB-UHFFFAOYSA-N	1	0	399.878	4.305	50	5		GIBARO
CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000034675646	570678841	/nfs/dbraw/zinc/67/88/41/570678841.db2.gz	AQGAVHVZAJLKQM-UHFFFAOYSA-N	1	0	381.476	4.311	50	5		GIBARO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1ccc(Br)cc1	ZINC000004678432	570824392	/nfs/dbraw/zinc/82/43/92/570824392.db2.gz	VMTCHJZXESQKBW-UHFFFAOYSA-N	1	0	387.237	4.370	50	5		GIBARO
Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1C	ZINC000004586159	570919795	/nfs/dbraw/zinc/91/97/95/570919795.db2.gz	FMZTZGSWJAJHFX-UHFFFAOYSA-N	1	0	398.488	4.030	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21	ZINC000058169340	823366353	/nfs/dbraw/zinc/36/63/53/823366353.db2.gz	YNBSKBJBIQRYAU-LSDHHAIUSA-N	1	0	393.443	4.434	50	5		GIBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)s1	ZINC000058168269	823366410	/nfs/dbraw/zinc/36/64/10/823366410.db2.gz	SPYXAOPOFBLRPC-UHFFFAOYSA-N	1	0	391.456	4.194	50	5		GIBARO
CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1	ZINC000058244397	823371183	/nfs/dbraw/zinc/37/11/83/823371183.db2.gz	HBKNRSOAOVUZJL-UHFFFAOYSA-N	1	0	382.464	4.148	50	5		GIBARO
Cc1cc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000010330427	206384572	/nfs/dbraw/zinc/38/45/72/206384572.db2.gz	XGHYTEOSISIFCN-OAQYLSRUSA-N	1	0	377.444	4.089	50	5		GIBARO
CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCC[NH+](CC)CC	ZINC000005961154	570809112	/nfs/dbraw/zinc/80/91/12/570809112.db2.gz	PSUBETJGRBHGHG-UHFFFAOYSA-N	1	0	379.504	4.130	50	5		GIBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000007447504	570844385	/nfs/dbraw/zinc/84/43/85/570844385.db2.gz	FIEXLDGLHDXMHE-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1	ZINC000004725300	570863143	/nfs/dbraw/zinc/86/31/43/570863143.db2.gz	SISYVLDMZHKPDF-UHFFFAOYSA-N	1	0	379.504	4.439	50	5		GIBARO
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000032908707	570909441	/nfs/dbraw/zinc/90/94/41/570909441.db2.gz	LIDNVYCWEXPFDM-UHFFFAOYSA-N	1	0	389.455	4.253	50	5		GIBARO
CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000037559510	571031455	/nfs/dbraw/zinc/03/14/55/571031455.db2.gz	ZBSHKTQWJIVJNC-UHFFFAOYSA-N	1	0	381.476	4.248	50	5		GIBARO
CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037587631	571034408	/nfs/dbraw/zinc/03/44/08/571034408.db2.gz	KNBWOLZRCOEDHH-UHFFFAOYSA-N	1	0	399.466	4.388	50	5		GIBARO
CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CC[NH+](CC)CC)cc1	ZINC000004215955	817509874	/nfs/dbraw/zinc/50/98/74/817509874.db2.gz	PXDBZSCGSQSKST-UHFFFAOYSA-N	1	0	396.491	4.276	50	5	in-man	GIBARO
COc1cccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])c4cccnc34)CC2)c1	ZINC000052486560	207720734	/nfs/dbraw/zinc/72/07/34/207720734.db2.gz	SBLXCWMOBJONTJ-UHFFFAOYSA-N	1	0	392.459	4.228	50	5		GIBARO
Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048253196	570227343	/nfs/dbraw/zinc/22/73/43/570227343.db2.gz	JGMXDWRKMJDOEL-MRXNPFEDSA-N	1	0	383.477	4.137	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003176147	817419718	/nfs/dbraw/zinc/41/97/18/817419718.db2.gz	FOGUUDKNVIFNSE-YJBOKZPZSA-N	1	0	385.851	4.005	50	5		GIBARO
COc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c2ccccc12	ZINC000000865153	206328805	/nfs/dbraw/zinc/32/88/05/206328805.db2.gz	BFRDBRBGAXZPIF-UHFFFAOYSA-N	1	0	391.471	4.074	50	5		GIBARO
CC[NH+](CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1	ZINC000048280286	570231387	/nfs/dbraw/zinc/23/13/87/570231387.db2.gz	CLEGDSPROWVTAM-INIZCTEOSA-N	1	0	380.445	4.000	50	5		GIBARO
CC1(C)CC(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)CC(C)(C)[NH2+]1	ZINC000057135197	570701267	/nfs/dbraw/zinc/70/12/67/570701267.db2.gz	KBRSFBZSKYQHIZ-UHFFFAOYSA-N	1	0	392.499	4.407	50	5		GIBARO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(Br)c1	ZINC000004678439	570824451	/nfs/dbraw/zinc/82/44/51/570824451.db2.gz	GOXDMRDCAWQUNC-UHFFFAOYSA-N	1	0	387.237	4.370	50	5		GIBARO
Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc([N+](=O)[O-])c1	ZINC000004678633	570824832	/nfs/dbraw/zinc/82/48/32/570824832.db2.gz	PAEJJQSEHBADSP-UHFFFAOYSA-N	1	0	387.237	4.370	50	5		GIBARO
C[C@H](Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004063065	570928091	/nfs/dbraw/zinc/92/80/91/570928091.db2.gz	BZWLIDHOGPGPIM-BZSISCHUSA-N	1	0	384.524	4.021	50	5		GIBARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000015617247	571029749	/nfs/dbraw/zinc/02/97/49/571029749.db2.gz	IIUFDCSIAWQBJR-UHFFFAOYSA-N	1	0	375.856	4.020	50	5		GIBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012798456	818182400	/nfs/dbraw/zinc/18/24/00/818182400.db2.gz	LZKKIXLCAKBNSW-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1	ZINC000010139984	206373806	/nfs/dbraw/zinc/37/38/06/206373806.db2.gz	WXCFVXIMMZYTEV-OAHLLOKOSA-N	1	0	392.459	4.283	50	5		GIBARO
C[NH+]1CCN(Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1	ZINC000001406215	206378754	/nfs/dbraw/zinc/37/87/54/206378754.db2.gz	HRGXNVAXDCCHTJ-UHFFFAOYSA-N	1	0	377.897	4.147	50	5		GIBARO
Cc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000010330422	206384108	/nfs/dbraw/zinc/38/41/08/206384108.db2.gz	XGHYTEOSISIFCN-NRFANRHFSA-N	1	0	377.444	4.089	50	5		GIBARO
Cc1cc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1	ZINC000018284212	207098504	/nfs/dbraw/zinc/09/85/04/207098504.db2.gz	SRJMLUPEOSKSLG-UHFFFAOYSA-N	1	0	382.851	4.431	50	5		GIBARO
C[C@@H]1C[N+](C)(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C[C@@H](C)O1	ZINC000017247451	208801388	/nfs/dbraw/zinc/80/13/88/208801388.db2.gz	RWPDRSQNAZCJQR-SFHLNBCPSA-N	1	0	392.604	4.394	50	5		GIBARO
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000058407487	136155380	/nfs/dbraw/zinc/15/53/80/136155380.db2.gz	WEZRMRBNCUAMPW-NSHDSACASA-N	1	0	377.794	4.332	50	5		GIBARO
C[C@H](Nc1ccc(N2CC[NH2+]CC2)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000005094998	570416808	/nfs/dbraw/zinc/41/68/08/570416808.db2.gz	VXBMGHHXQCMLBW-BZSISCHUSA-N	1	0	384.524	4.021	50	5		GIBARO
C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCNc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000007277242	570823403	/nfs/dbraw/zinc/82/34/03/570823403.db2.gz	RRMNPBMLWOOJGU-OAHLLOKOSA-N	1	0	381.432	4.110	50	5		GIBARO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1	ZINC000004724519	570862562	/nfs/dbraw/zinc/86/25/62/570862562.db2.gz	RCVNCHFTYVEMKG-UHFFFAOYSA-N	1	0	379.504	4.439	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	ZINC000004555238	570882033	/nfs/dbraw/zinc/88/20/33/570882033.db2.gz	XHHNZJBIULDCMU-CTEOGUNLSA-N	1	0	398.488	4.192	50	5		GIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000058169193	823366364	/nfs/dbraw/zinc/36/63/64/823366364.db2.gz	NVNPTBSBRCLOFO-UNMCSNQZSA-N	1	0	393.487	4.112	50	5		GIBARO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000017079394	207083860	/nfs/dbraw/zinc/08/38/60/207083860.db2.gz	CBCRBURESZWBQW-UHFFFAOYSA-N	1	0	388.855	4.034	50	5		GIBARO
CCC(=O)Nc1ccc2nc3ccc(NC(=O)CC)cc3[n+](-c3ccccc3)c2c1	ZINC000102194338	570287824	/nfs/dbraw/zinc/28/78/24/570287824.db2.gz	UDSBOYQKSQKDDM-UHFFFAOYSA-O	1	0	399.474	4.362	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004555222	570882077	/nfs/dbraw/zinc/88/20/77/570882077.db2.gz	PYNXHNYCWBYCLP-JTGQJZMRSA-N	1	0	398.488	4.192	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	ZINC000004555237	570882136	/nfs/dbraw/zinc/88/21/36/570882136.db2.gz	XHHNZJBIULDCMU-AFCDSYGPSA-N	1	0	398.488	4.192	50	5		GIBARO
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H](C)C[NH+]3CCCCC3)nc12	ZINC000033326953	570980736	/nfs/dbraw/zinc/98/07/36/570980736.db2.gz	IULQYGPZCUNWMA-ZDUSSCGKSA-N	1	0	380.521	4.093	50	5		GIBARO
O=[N+]([O-])c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1	ZINC000037868906	210747140	/nfs/dbraw/zinc/74/71/40/210747140.db2.gz	KMUBRJYVNNOEJF-UHFFFAOYSA-N	1	0	394.414	4.272	50	5		GIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000106159611	570948759	/nfs/dbraw/zinc/94/87/59/570948759.db2.gz	NVNPTBSBRCLOFO-IFMALSPDSA-N	1	0	393.487	4.112	50	5		GIBARO
CCCC[NH+](CCCC)C[C@@H](O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000004794773	570993435	/nfs/dbraw/zinc/99/34/35/570993435.db2.gz	UNRVBUZHKLLCHZ-LJQANCHMSA-N	1	0	380.532	4.418	50	5		GIBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NC(c1ccccc1)c1ccccc1	ZINC000028955501	820377031	/nfs/dbraw/zinc/37/70/31/820377031.db2.gz	ODNBDXSNVLUUFW-UHFFFAOYSA-N	1	0	388.471	4.206	50	5		GIBARO
CCOC(=O)c1cc2c(c3ccccc3n2C)[n+](-c2ccc([N+](=O)[O-])cc2)c1C	ZINC000004808308	209525934	/nfs/dbraw/zinc/52/59/34/209525934.db2.gz	HHFLQFNREPUBFP-UHFFFAOYSA-N	1	0	390.419	4.002	50	5		GIBARO
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1	ZINC000010139981	209321024	/nfs/dbraw/zinc/32/10/24/209321024.db2.gz	WXCFVXIMMZYTEV-HNNXBMFYSA-N	1	0	392.459	4.283	50	5		GIBARO
Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048313720	570236785	/nfs/dbraw/zinc/23/67/85/570236785.db2.gz	PSYWCZIQTMRKEG-GOSISDBHSA-N	1	0	393.447	4.202	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21	ZINC000048341947	570239497	/nfs/dbraw/zinc/23/94/97/570239497.db2.gz	NDXLQPCJIBNFGL-HXUWFJFHSA-N	1	0	395.459	4.084	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004555221	570882062	/nfs/dbraw/zinc/88/20/62/570882062.db2.gz	PYNXHNYCWBYCLP-TUYSUELWSA-N	1	0	398.488	4.192	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC	ZINC000252461154	570960535	/nfs/dbraw/zinc/96/05/35/570960535.db2.gz	KZUFRLKJCLWSAW-REHUZNOOSA-N	1	0	390.544	4.440	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21	ZINC000058169341	823366308	/nfs/dbraw/zinc/36/63/08/823366308.db2.gz	YNBSKBJBIQRYAU-HUUCEWRRSA-N	1	0	393.443	4.434	50	5		GIBARO
CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000058191469	823368394	/nfs/dbraw/zinc/36/83/94/823368394.db2.gz	RFZNUVUJZZCHOX-OAQYLSRUSA-N	1	0	381.476	4.112	50	5		GIBARO
CC[NH+](CC)CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21	ZINC000001913441	211510894	/nfs/dbraw/zinc/51/08/94/211510894.db2.gz	JGZZWYXCJUOZDW-UHFFFAOYSA-N	1	0	379.464	4.349	50	5		GIBARO
O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1)OCO2	ZINC000019721005	210289716	/nfs/dbraw/zinc/28/97/16/210289716.db2.gz	WFCKVFCWBCCEQH-LJQANCHMSA-N	1	0	376.412	4.397	50	5		GIBARO
Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000005121586	570421527	/nfs/dbraw/zinc/42/15/27/570421527.db2.gz	PXAVDNUKVXXIIR-UHFFFAOYSA-N	1	0	398.488	4.030	50	5		GIBARO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000024989049	570661820	/nfs/dbraw/zinc/66/18/20/570661820.db2.gz	BNLZWWRNDWCEFS-OAHLLOKOSA-N	1	0	396.443	4.022	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000004650881	570805654	/nfs/dbraw/zinc/80/56/54/570805654.db2.gz	JRURHCRZVMHPIS-AEFFLSMTSA-N	1	0	385.851	4.005	50	5		GIBARO
COc1c2c(cc3c1[C@H](CC(=O)c1ccc(Cl)cc1)[N+](C)(C)CC3)OCO2	ZINC000001280484	570954008	/nfs/dbraw/zinc/95/40/08/570954008.db2.gz	DSKDJOXKBPWQJH-INIZCTEOSA-N	1	0	388.871	4.024	50	5		GIBARO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000004819609	570998279	/nfs/dbraw/zinc/99/82/79/570998279.db2.gz	JTLZKRBBYXYQLE-NRFANRHFSA-N	1	0	392.455	4.037	50	5		GIBARO
COc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12	ZINC000000865191	209273957	/nfs/dbraw/zinc/27/39/57/209273957.db2.gz	BKGJPEHGFBTTPZ-UHFFFAOYSA-N	1	0	391.471	4.074	50	5		GIBARO
CC[NH+](CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1	ZINC000048280289	570231329	/nfs/dbraw/zinc/23/13/29/570231329.db2.gz	CLEGDSPROWVTAM-MRXNPFEDSA-N	1	0	380.445	4.000	50	5		GIBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000007447647	570844503	/nfs/dbraw/zinc/84/45/03/570844503.db2.gz	HXXRQQDUARIGOO-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
CCCC[N+]1(CCOCCSc2nc3ccccc3s2)CCOCC1	ZINC000032106302	717120521	/nfs/dbraw/zinc/12/05/21/717120521.db2.gz	FADZFWPQDXNORR-UHFFFAOYSA-N	1	0	381.587	4.052	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21	ZINC000058169336	823366320	/nfs/dbraw/zinc/36/63/20/823366320.db2.gz	YNBSKBJBIQRYAU-CABCVRRESA-N	1	0	393.443	4.434	50	5		GIBARO
Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000040153561	821151237	/nfs/dbraw/zinc/15/12/37/821151237.db2.gz	IBFOUCBTGFYUJK-QGZVFWFLSA-N	1	0	383.477	4.137	50	5		GIBARO
O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000012978622	210038716	/nfs/dbraw/zinc/03/87/16/210038716.db2.gz	DWZSHJXTITUWIF-SFHVURJKSA-N	1	0	388.855	4.207	50	5		GIBARO
CCCC[NH+](CCCC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1	ZINC000009608893	209837205	/nfs/dbraw/zinc/83/72/05/209837205.db2.gz	XZAAJKDIFUFIAZ-UHFFFAOYSA-N	1	0	395.503	4.490	50	5		GIBARO
O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-]	ZINC000010330583	209331284	/nfs/dbraw/zinc/33/12/84/209331284.db2.gz	OVJHJURXUAATNZ-JOCHJYFZSA-N	1	0	389.455	4.315	50	5		GIBARO
Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-]	ZINC000069348943	211034830	/nfs/dbraw/zinc/03/48/30/211034830.db2.gz	OIYQINKQJXNZNG-FCHUYYIVSA-N	1	0	393.487	4.172	50	5		GIBARO
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000058407488	136155366	/nfs/dbraw/zinc/15/53/66/136155366.db2.gz	WEZRMRBNCUAMPW-LLVKDONJSA-N	1	0	377.794	4.332	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21	ZINC000048341950	570239605	/nfs/dbraw/zinc/23/96/05/570239605.db2.gz	NDXLQPCJIBNFGL-FQEVSTJZSA-N	1	0	395.459	4.084	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC	ZINC000252461155	570960481	/nfs/dbraw/zinc/96/04/81/570960481.db2.gz	KZUFRLKJCLWSAW-YOSAUDMPSA-N	1	0	390.544	4.440	50	5		GIBARO
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)COc1ccc(Cl)cc1Cl)CCC2	ZINC000252441006	717165324	/nfs/dbraw/zinc/16/53/24/717165324.db2.gz	AKHPLUPJRABLGT-ORHBMQHOSA-N	1	0	387.327	4.325	50	5		GIBARO
COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012799892	210012046	/nfs/dbraw/zinc/01/20/46/210012046.db2.gz	YEHNMJQGKILOMH-NRFANRHFSA-N	1	0	397.475	4.184	50	5		GIBARO
O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000010330545	209330963	/nfs/dbraw/zinc/33/09/63/209330963.db2.gz	FPMCKRVCWXDBIT-JOCHJYFZSA-N	1	0	389.455	4.315	50	5		GIBARO
O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c2ncccc12	ZINC000060082219	570885970	/nfs/dbraw/zinc/88/59/70/570885970.db2.gz	VFRKYEGUQCWEJO-UHFFFAOYSA-N	1	0	376.460	4.467	50	5		GIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000106159615	570948748	/nfs/dbraw/zinc/94/87/48/570948748.db2.gz	NVNPTBSBRCLOFO-RBBKRZOGSA-N	1	0	393.487	4.112	50	5		GIBARO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)COc1ccc(Cl)cc1Cl)CCC2	ZINC000247537152	560036905	/nfs/dbraw/zinc/03/69/05/560036905.db2.gz	AKHPLUPJRABLGT-WTBBCNCBSA-N	1	0	387.327	4.325	50	5	biogenic,in-vitro	GIBARO
Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048313716	570236824	/nfs/dbraw/zinc/23/68/24/570236824.db2.gz	PSYWCZIQTMRKEG-SFHVURJKSA-N	1	0	393.447	4.202	50	5		GIBARO
CC(=C[NH2+]Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc(O)ccc1O	ZINC000006292603	570363799	/nfs/dbraw/zinc/36/37/99/570363799.db2.gz	CINQKVDHYAMFQA-PKNBQFBNSA-N	1	0	384.417	4.107	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC	ZINC000252461152	570474130	/nfs/dbraw/zinc/47/41/30/570474130.db2.gz	KZUFRLKJCLWSAW-JXALWOEJSA-N	1	0	390.544	4.440	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005710461	570838684	/nfs/dbraw/zinc/83/86/84/570838684.db2.gz	ZWPITZQYCQDRCF-APWZRJJASA-N	1	0	385.851	4.005	50	5		GIBARO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000004819610	570998398	/nfs/dbraw/zinc/99/83/98/570998398.db2.gz	JTLZKRBBYXYQLE-OAQYLSRUSA-N	1	0	392.455	4.037	50	5		GIBARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000007696789	571017328	/nfs/dbraw/zinc/01/73/28/571017328.db2.gz	VYKLBSCTCJLNRI-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
CC[NH+](CC)C[C@H](O)Cn1c(C)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21	ZINC000002488395	209366935	/nfs/dbraw/zinc/36/69/35/209366935.db2.gz	BOLSJMUPEQCJLH-IBGZPJMESA-N	1	0	381.476	4.228	50	5		GIBARO
O=C(c1ccccc1)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1	ZINC000022875003	570557399	/nfs/dbraw/zinc/55/73/99/570557399.db2.gz	DAAGPQZRUUDHMU-UHFFFAOYSA-N	1	0	386.411	4.128	50	5		GIBARO
CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000034675653	570678605	/nfs/dbraw/zinc/67/86/05/570678605.db2.gz	RVGWADWPWCMWRL-UHFFFAOYSA-N	1	0	381.476	4.311	50	5		GIBARO
COc1ccc2ccccc2c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019633790	818597186	/nfs/dbraw/zinc/59/71/86/818597186.db2.gz	LZVPRFWAIMJVLU-UHFFFAOYSA-N	1	0	377.444	4.079	50	5		GIBARO
COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012799895	221234150	/nfs/dbraw/zinc/23/41/50/221234150.db2.gz	YEHNMJQGKILOMH-OAQYLSRUSA-N	1	0	397.475	4.184	50	5		GIBARO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1	ZINC000055291823	822949867	/nfs/dbraw/zinc/94/98/67/822949867.db2.gz	PKVSTNRYVYWUDJ-UHFFFAOYSA-N	1	0	385.467	4.488	50	5		GIBARO
O=C(CN1CCCCC[NH+]=C1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	ZINC000067321276	222145044	/nfs/dbraw/zinc/14/50/44/222145044.db2.gz	MLUVNJRKBOXDGT-UHFFFAOYSA-N	1	0	385.851	4.364	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000240412849	570868663	/nfs/dbraw/zinc/86/86/63/570868663.db2.gz	FOGUUDKNVIFNSE-CRAIPNDOSA-N	1	0	385.851	4.005	50	5		GIBARO
C[C@@H](Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004063073	570928204	/nfs/dbraw/zinc/92/82/04/570928204.db2.gz	BZWLIDHOGPGPIM-NOCBQHASSA-N	1	0	384.524	4.021	50	5		GIBARO
O=C(/C=C/c1ccccc1)OC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000022023378	818764904	/nfs/dbraw/zinc/76/49/04/818764904.db2.gz	OFVBTNNAQASOLU-SGWGQVFISA-N	1	0	380.444	4.063	50	5		GIBARO
Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-]	ZINC000029358661	820443180	/nfs/dbraw/zinc/44/31/80/820443180.db2.gz	PSCRVQFFLKWRSU-UHFFFAOYSA-N	1	0	381.476	4.065	50	5		GIBARO
Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c2ccccc2[nH+]1	ZINC000018121970	221387766	/nfs/dbraw/zinc/38/77/66/221387766.db2.gz	BDDPXUZRHMQXHU-UHFFFAOYSA-N	1	0	399.454	4.326	50	5		GIBARO
CC(C)[NH+](CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C	ZINC000032841433	221741025	/nfs/dbraw/zinc/74/10/25/221741025.db2.gz	GDZBBLAXUBSKBU-UHFFFAOYSA-N	1	0	393.871	4.357	50	5		GIBARO
CC(C)C[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000032902540	221747516	/nfs/dbraw/zinc/74/75/16/221747516.db2.gz	XQTQDZTYLYZNFM-UHFFFAOYSA-N	1	0	381.476	4.358	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005447599	570439729	/nfs/dbraw/zinc/43/97/29/570439729.db2.gz	JRURHCRZVMHPIS-SJLPKXTDSA-N	1	0	385.851	4.005	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005524287	570624549	/nfs/dbraw/zinc/62/45/49/570624549.db2.gz	FOGUUDKNVIFNSE-QAPCUYQASA-N	1	0	385.851	4.005	50	5		GIBARO
Cc1cc(NCCNc2ccc3c(c2)OCCO3)c2ccc3ccccc3c2[nH+]1	ZINC000005796820	570691552	/nfs/dbraw/zinc/69/15/52/570691552.db2.gz	XUUOUHFCYIXDRW-UHFFFAOYSA-N	1	0	385.467	4.414	50	5		GIBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21	ZINC000058169334	823366202	/nfs/dbraw/zinc/36/62/02/823366202.db2.gz	YNBSKBJBIQRYAU-GJZGRUSLSA-N	1	0	393.443	4.434	50	5		GIBARO
CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC	ZINC000245296165	212134709	/nfs/dbraw/zinc/13/47/09/212134709.db2.gz	KZUFRLKJCLWSAW-ROKPMTFOSA-N	1	0	390.544	4.440	50	5		GIBARO
NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000057362790	222031265	/nfs/dbraw/zinc/03/12/65/222031265.db2.gz	DUVXAJNYJHOABF-UHFFFAOYSA-N	1	0	385.439	4.168	50	5		GIBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(Sc3cccc4cccnc43)c2)CC1	ZINC000004455728	570789474	/nfs/dbraw/zinc/78/94/74/570789474.db2.gz	ZULOVBFMKRZWJC-UHFFFAOYSA-N	1	0	380.473	4.046	50	5		GIBARO
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1	ZINC000004724526	570862885	/nfs/dbraw/zinc/86/28/85/570862885.db2.gz	SSXJTARTISNLEN-UHFFFAOYSA-N	1	0	379.504	4.439	50	5		GIBARO
CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000007945718	817966393	/nfs/dbraw/zinc/96/63/93/817966393.db2.gz	VZGMYLXUIVGHOK-UHFFFAOYSA-N	1	0	375.856	4.020	50	5		GIBARO
C[NH+](C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccccc1	ZINC000011614616	221118841	/nfs/dbraw/zinc/11/88/41/221118841.db2.gz	YZVCHWMBLDHNRQ-NRFANRHFSA-N	1	0	398.462	4.053	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015906136	221353031	/nfs/dbraw/zinc/35/30/31/221353031.db2.gz	FOGUUDKNVIFNSE-MAUKXSAKSA-N	1	0	385.851	4.005	50	5		GIBARO
Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000058130533	222039486	/nfs/dbraw/zinc/03/94/86/222039486.db2.gz	ANDJLANSGWJLBH-LJQANCHMSA-N	1	0	389.459	4.047	50	5		GIBARO
COc1ccc(-c2cc(C3CC[NH+](Cc4ccc([N+](=O)[O-])cc4)CC3)[nH]n2)cc1	ZINC000005625626	570672221	/nfs/dbraw/zinc/67/22/21/570672221.db2.gz	NGBBOMNRZQUQGA-UHFFFAOYSA-N	1	0	392.459	4.373	50	5		GIBARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000004556320	570882558	/nfs/dbraw/zinc/88/25/58/570882558.db2.gz	PRPUKCAKNJZLRM-OAHLLOKOSA-N	1	0	392.868	4.117	50	5		GIBARO
Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000241124223	571019413	/nfs/dbraw/zinc/01/94/13/571019413.db2.gz	JGMFKOMZQVRNAD-VQIMIIECSA-N	1	0	385.851	4.005	50	5		GIBARO
C[C@@H]1C[N@@+](C)(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C[C@H](C)O1	ZINC000245229250	717163875	/nfs/dbraw/zinc/16/38/75/717163875.db2.gz	RWPDRSQNAZCJQR-UVYNTUDKSA-N	1	0	392.604	4.394	50	5		GIBARO
CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000012801090	221233520	/nfs/dbraw/zinc/23/35/20/221233520.db2.gz	LLVNRGVHJUPMDL-UHFFFAOYSA-N	1	0	391.855	4.221	50	5		GIBARO
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000012978621	221251567	/nfs/dbraw/zinc/25/15/67/221251567.db2.gz	DWZSHJXTITUWIF-GOSISDBHSA-N	1	0	388.855	4.207	50	5		GIBARO
CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000058191472	222043378	/nfs/dbraw/zinc/04/33/78/222043378.db2.gz	RFZNUVUJZZCHOX-NRFANRHFSA-N	1	0	381.476	4.112	50	5		GIBARO
O=[N+]([O-])c1ccc(N2CCN(c3c4ccccc4[nH+]c4c3CCCC4)CC2)cc1	ZINC000004922311	570369890	/nfs/dbraw/zinc/36/98/90/570369890.db2.gz	GRMFSDDDOLACMY-UHFFFAOYSA-N	1	0	388.471	4.348	50	5		GIBARO
CCOC(C(=O)OCCC[N+](C)(CC)CC)(c1ccccc1)c1ccccc1	ZINC000002913597	717095503	/nfs/dbraw/zinc/09/55/03/717095503.db2.gz	NXSZMIRKAAXOQL-UHFFFAOYSA-N	1	0	384.540	4.386	50	5		GIBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003178616	817420250	/nfs/dbraw/zinc/42/02/50/817420250.db2.gz	ZWPITZQYCQDRCF-LPHOPBHVSA-N	1	0	385.851	4.005	50	5		GIBARO
Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccccc3[N+](=O)[O-])sc2c(C)c1	ZINC000005121653	570421368	/nfs/dbraw/zinc/42/13/68/570421368.db2.gz	AKOSOGPITCFBTK-UHFFFAOYSA-N	1	0	398.488	4.030	50	5		GIBARO
COc1ccc([N+](=O)[O-])cc1NC1CC[NH+](Cc2ccc(SC)cc2)CC1	ZINC000004749428	570954852	/nfs/dbraw/zinc/95/48/52/570954852.db2.gz	CPERZVCDKXLMRR-UHFFFAOYSA-N	1	0	387.505	4.402	50	5		GIBARO
CCCC[NH+](CCCC)C[C@H](O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000004794772	570993656	/nfs/dbraw/zinc/99/36/56/570993656.db2.gz	UNRVBUZHKLLCHZ-IBGZPJMESA-N	1	0	380.532	4.418	50	5		GIBARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000007447701	817843628	/nfs/dbraw/zinc/84/36/28/817843628.db2.gz	LKHUDWNNPSPHDE-UHFFFAOYSA-N	1	0	387.867	4.164	50	5		GIBARO
COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12	ZINC000019634949	818597112	/nfs/dbraw/zinc/59/71/12/818597112.db2.gz	LEVRCQOBFNEIGZ-UHFFFAOYSA-N	1	0	377.444	4.079	50	5		GIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000058169194	823366401	/nfs/dbraw/zinc/36/64/01/823366401.db2.gz	NVNPTBSBRCLOFO-IRLDBZIGSA-N	1	0	393.487	4.112	50	5		GIBARO
O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1	ZINC000008991403	221067886	/nfs/dbraw/zinc/06/78/86/221067886.db2.gz	NVNSKCMGWPWPBK-UHFFFAOYSA-N	1	0	383.473	4.463	50	5		GIBARO
CN(C)[C@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cccc1Cl	ZINC000014165002	221301018	/nfs/dbraw/zinc/30/10/18/221301018.db2.gz	BQGKUMKYKNFGKK-MRXNPFEDSA-N	1	0	386.254	4.433	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1	ZINC000004555312	570882081	/nfs/dbraw/zinc/88/20/81/570882081.db2.gz	FGYKSHWCGODLHU-ZPUOCTKUSA-N	1	0	398.488	4.192	50	5		GIBARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1	ZINC000004555311	570882128	/nfs/dbraw/zinc/88/21/28/570882128.db2.gz	FGYKSHWCGODLHU-QWPQOLDESA-N	1	0	398.488	4.192	50	5		GIBARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000004556319	570882363	/nfs/dbraw/zinc/88/23/63/570882363.db2.gz	PRPUKCAKNJZLRM-HNNXBMFYSA-N	1	0	392.868	4.117	50	5		GIBARO
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)cc1	ZINC000004819928	570997738	/nfs/dbraw/zinc/99/77/38/570997738.db2.gz	ZXFVXOHVZVRJGX-HXUWFJFHSA-N	1	0	376.497	4.302	50	5		GIBARO