smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000116900328	530909944	/nfs/dbraw/zinc/90/99/44/530909944.db2.gz	XNUOCTFGDNTLDR-LLVKDONJSA-N	1	0	377.850	1.508	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@H]12	ZINC000248701604	531081522	/nfs/dbraw/zinc/08/15/22/531081522.db2.gz	ZSBZOAUVOMHXBZ-DVVUODLYSA-N	1	0	390.259	1.715	10	5		GDBERO
[NH3+]C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCCO1	ZINC000313355878	532056267	/nfs/dbraw/zinc/05/62/67/532056267.db2.gz	NLBHXAWHNUCDFK-JTQLQIEISA-N	1	0	377.182	1.753	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000124505314	644708007	/nfs/dbraw/zinc/70/80/07/644708007.db2.gz	XIFIXNZZNVJHRC-LDYMZIIASA-N	1	0	378.248	1.763	10	5		GDBERO
CCN1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000101576659	530824776	/nfs/dbraw/zinc/82/47/76/530824776.db2.gz	LIGJJJCQBHXFGS-CYBMUJFWSA-N	1	0	390.531	1.693	10	5		GDBERO
C[C@H]([NH3+])[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1	ZINC000132980036	531086270	/nfs/dbraw/zinc/08/62/70/531086270.db2.gz	DQCWOIQNSBXAEX-QPUJVOFHSA-N	1	0	377.182	1.752	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1	ZINC000170868140	530590329	/nfs/dbraw/zinc/59/03/29/530590329.db2.gz	KEKKJWAVNDSTEU-SNVBAGLBSA-N	1	0	389.193	1.976	10	5		GDBERO
Cc1c(F)cc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000248640388	531079903	/nfs/dbraw/zinc/07/99/03/531079903.db2.gz	BZPREIBPONVXQE-QWRGUYRKSA-N	1	0	375.422	1.118	10	5		GDBERO
COc1c(F)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000249472920	531087358	/nfs/dbraw/zinc/08/73/58/531087358.db2.gz	SMWTXJBEJSBUQS-ZWNOBZJWSA-N	1	0	375.422	1.750	10	5		GDBERO
C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000193447466	645051360	/nfs/dbraw/zinc/05/13/60/645051360.db2.gz	FCDLMDXNOXGYLI-WCBMZHEXSA-N	1	0	378.248	1.776	10	5		GDBERO
C[C@H]([NH3+])[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1	ZINC000132979597	531086184	/nfs/dbraw/zinc/08/61/84/531086184.db2.gz	DQCWOIQNSBXAEX-UFBFGSQYSA-N	1	0	377.182	1.752	10	5		GDBERO
O=[N+]([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Br	ZINC000247153321	531072640	/nfs/dbraw/zinc/07/26/40/531072640.db2.gz	SZSHJMHGJRELEC-JTQLQIEISA-N	1	0	390.259	1.826	10	5		GDBERO
C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1	ZINC000155249488	531198111	/nfs/dbraw/zinc/19/81/11/531198111.db2.gz	IVELDLVQWAPXCD-CYBMUJFWSA-N	1	0	386.246	1.689	10	5		GDBERO
C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C	ZINC000174286583	530646047	/nfs/dbraw/zinc/64/60/47/530646047.db2.gz	OSGSEWQWFBICRS-GHMZBOCLSA-N	1	0	386.246	1.884	10	5		GDBERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000062970744	530743373	/nfs/dbraw/zinc/74/33/73/530743373.db2.gz	PPZXHYVREKSISW-JTQLQIEISA-N	1	0	378.248	1.682	10	5		GDBERO
CCN1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000101576661	530824871	/nfs/dbraw/zinc/82/48/71/530824871.db2.gz	LIGJJJCQBHXFGS-ZDUSSCGKSA-N	1	0	390.531	1.693	10	5		GDBERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1	ZINC000120309307	530939051	/nfs/dbraw/zinc/93/90/51/530939051.db2.gz	JKZNCYVLVPREIN-VIFPVBQESA-N	1	0	378.248	1.682	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000248621950	531079800	/nfs/dbraw/zinc/07/98/00/531079800.db2.gz	NDUPXPFTMGBPPN-MKPLZMMCSA-N	1	0	390.259	1.715	10	5		GDBERO
C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	ZINC000261075016	717178340	/nfs/dbraw/zinc/17/83/40/717178340.db2.gz	ATCVVCBJNHXIEX-ZAHKBLQYSA-O	1	0	385.484	1.398	10	5	investigational	GDBERO
Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000176718399	530689342	/nfs/dbraw/zinc/68/93/42/530689342.db2.gz	HIIOYRPUTIBWGU-NSHDSACASA-N	1	0	377.850	1.508	10	5		GDBERO
CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000187290131	530870737	/nfs/dbraw/zinc/87/07/37/530870737.db2.gz	HERWRVRIHWEINP-LLVKDONJSA-N	1	0	375.422	1.847	10	5		GDBERO
CN1CCO[C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21	ZINC000284620832	531974288	/nfs/dbraw/zinc/97/42/88/531974288.db2.gz	UQJYBOUETAUCJW-UONOGXRCSA-N	1	0	384.230	1.902	10	5		GDBERO
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000246695380	645096050	/nfs/dbraw/zinc/09/60/50/645096050.db2.gz	ZAHAZDAKSKKZNB-NSHDSACASA-N	1	0	390.259	1.826	10	5		GDBERO
[NH3+]C1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1	ZINC000715128848	654836466	/nfs/dbraw/zinc/83/64/66/654836466.db2.gz	FFIXKCIGASZKII-UHFFFAOYSA-N	1	0	375.166	1.667	10	5		GDBERO
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000193626364	530990980	/nfs/dbraw/zinc/99/09/80/530990980.db2.gz	IRBIHAQNINTPLA-LLVKDONJSA-N	1	0	390.259	1.826	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]12	ZINC000248701606	531081263	/nfs/dbraw/zinc/08/12/63/531081263.db2.gz	ZSBZOAUVOMHXBZ-FBIMIBRVSA-N	1	0	390.259	1.715	10	5		GDBERO
Cc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000176718382	530689546	/nfs/dbraw/zinc/68/95/46/530689546.db2.gz	HIIOYRPUTIBWGU-LLVKDONJSA-N	1	0	377.850	1.508	10	5		GDBERO
[NH3+]CC1(O)CCN(c2ccc(I)cc2[N+](=O)[O-])CC1	ZINC000396991050	532302077	/nfs/dbraw/zinc/30/20/77/532302077.db2.gz	BVDBMTRCRRXPRP-UHFFFAOYSA-N	1	0	377.182	1.489	10	5		GDBERO
[NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000123478943	644697093	/nfs/dbraw/zinc/69/70/93/644697093.db2.gz	DHGYJLBIWYPXDS-SNVBAGLBSA-N	1	0	378.248	1.859	10	5		GDBERO
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1[NH3+]	ZINC000701031196	654832251	/nfs/dbraw/zinc/83/22/51/654832251.db2.gz	RFHOJGXYBIIRAS-CPCISQLKSA-N	1	0	375.166	1.619	10	5		GDBERO
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000124156171	530992433	/nfs/dbraw/zinc/99/24/33/530992433.db2.gz	VSEWWQOPVBTQHN-LLVKDONJSA-N	1	0	377.850	1.508	10	5		GDBERO
CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O	ZINC000246205299	531065315	/nfs/dbraw/zinc/06/53/15/531065315.db2.gz	QZMAMQDLDUGILI-NWDGAFQWSA-N	1	0	375.422	1.200	10	5		GDBERO
C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000701031470	654832274	/nfs/dbraw/zinc/83/22/74/654832274.db2.gz	SCBZMVXAYHBLNZ-RDDDGLTNSA-N	1	0	375.166	1.761	10	5		GDBERO
C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC	ZINC000252478199	206137998	/nfs/dbraw/zinc/13/79/98/206137998.db2.gz	AFJPGVUCVDCFPM-BBFZNYENSA-N	1	0	385.484	1.389	10	5	biogenic,in-vitro	GDBERO
COc1c(F)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000249472917	531087234	/nfs/dbraw/zinc/08/72/34/531087234.db2.gz	SMWTXJBEJSBUQS-GXFFZTMASA-N	1	0	375.422	1.750	10	5		GDBERO
CCOCCN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C	ZINC000247204732	531073094	/nfs/dbraw/zinc/07/30/94/531073094.db2.gz	UCJAAOBQEUFAPT-GFCCVEGCSA-N	1	0	391.877	1.980	10	5		GDBERO
COCC[N@H+](CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)COC	ZINC000036147891	205007624	/nfs/dbraw/zinc/00/76/24/205007624.db2.gz	BBMQJWLESUUVIY-OAHLLOKOSA-N	1	0	380.401	1.143	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000124488380	644708130	/nfs/dbraw/zinc/70/81/30/644708130.db2.gz	ZAOQROPQGSXNEA-GZMMTYOYSA-N	1	0	378.248	1.763	10	5		GDBERO
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1C[NH3+]	ZINC000708843581	654834303	/nfs/dbraw/zinc/83/43/03/654834303.db2.gz	RTXRUFDYXNABEN-IUCAKERBSA-N	1	0	389.193	1.866	10	5		GDBERO
Cc1c(F)cc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000248640385	531080056	/nfs/dbraw/zinc/08/00/56/531080056.db2.gz	BZPREIBPONVXQE-GHMZBOCLSA-N	1	0	375.422	1.118	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]12	ZINC000248701610	531081066	/nfs/dbraw/zinc/08/10/66/531081066.db2.gz	ZSBZOAUVOMHXBZ-JMJZKYOTSA-N	1	0	390.259	1.715	10	5		GDBERO
C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000701031472	654832149	/nfs/dbraw/zinc/83/21/49/654832149.db2.gz	SCBZMVXAYHBLNZ-WRWORJQWSA-N	1	0	375.166	1.761	10	5		GDBERO
O=C(CNc1ccc(I)cc1[N+](=O)[O-])N1CC[NH2+]CC1	ZINC000097348939	530820654	/nfs/dbraw/zinc/82/06/54/530820654.db2.gz	ICKUKPNGENFMMY-UHFFFAOYSA-N	1	0	390.181	1.043	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000124476699	644708086	/nfs/dbraw/zinc/70/80/86/644708086.db2.gz	GTADCIKZHUPXAQ-GZMMTYOYSA-N	1	0	378.248	1.763	10	5		GDBERO
COc1c(F)cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000187233790	530868792	/nfs/dbraw/zinc/86/87/92/530868792.db2.gz	SMWTXJBEJSBUQS-MFKMUULPSA-N	1	0	375.422	1.750	10	5		GDBERO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000161463623	530560962	/nfs/dbraw/zinc/56/09/62/530560962.db2.gz	XVEQSKNUIWICDT-LLVKDONJSA-N	1	0	377.488	1.370	10	5		GDBERO
[NH3+]C1C[C@H]2CS(=O)(=O)C[C@@H](C1)C2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000366762588	531775835	/nfs/dbraw/zinc/77/58/35/531775835.db2.gz	XLDWCNISUPMVIW-FOCQTFQBSA-N	1	0	387.845	1.129	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@@H]12	ZINC000248609918	531080027	/nfs/dbraw/zinc/08/00/27/531080027.db2.gz	KQNSHCRMIYUBSJ-HLUHBDAQSA-N	1	0	390.259	1.715	10	5		GDBERO
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000264737894	531199445	/nfs/dbraw/zinc/19/94/45/531199445.db2.gz	JFAPJGIMWUNRGG-NSHDSACASA-N	1	0	390.259	1.826	10	5		GDBERO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1	ZINC000269484892	531678848	/nfs/dbraw/zinc/67/88/48/531678848.db2.gz	PWKVFWHTWJEKOG-NSHDSACASA-N	1	0	390.259	1.826	10	5		GDBERO
CN(C[C@H](O)CN1CC[NH+](C)CC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000302049974	532043404	/nfs/dbraw/zinc/04/34/04/532043404.db2.gz	WWCBSMWSNYVRKM-LBPRGKRZSA-N	1	0	377.272	1.946	10	5		GDBERO
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H]1C[NH3+]	ZINC000708843582	654834358	/nfs/dbraw/zinc/83/43/58/654834358.db2.gz	RTXRUFDYXNABEN-RKDXNWHRSA-N	1	0	389.193	1.866	10	5		GDBERO
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000183682367	530819000	/nfs/dbraw/zinc/81/90/00/530819000.db2.gz	GVQXFGHKLJUAFT-LBPRGKRZSA-N	1	0	391.877	1.682	10	5		GDBERO
C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1	ZINC000180925784	530773902	/nfs/dbraw/zinc/77/39/02/530773902.db2.gz	ZLZVTABZQUSHLA-CYBMUJFWSA-N	1	0	388.515	1.447	10	5		GDBERO
CN1CCO[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21	ZINC000284620830	531974572	/nfs/dbraw/zinc/97/45/72/531974572.db2.gz	UQJYBOUETAUCJW-KBPBESRZSA-N	1	0	384.230	1.902	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1	ZINC000062969349	530743622	/nfs/dbraw/zinc/74/36/22/530743622.db2.gz	QPBNXDRZKGADDU-SNVBAGLBSA-N	1	0	389.193	1.976	10	5		GDBERO
Cc1c(F)cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-]	ZINC000184858795	530832532	/nfs/dbraw/zinc/83/25/32/530832532.db2.gz	XFVKTYVIMBNICL-UHFFFAOYSA-N	1	0	375.422	1.167	10	5		GDBERO
C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC	ZINC000252478202	209031437	/nfs/dbraw/zinc/03/14/37/209031437.db2.gz	AFJPGVUCVDCFPM-ZWISEHCYSA-N	1	0	385.484	1.389	10	5	biogenic,in-vitro	GDBERO
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1	ZINC000183666636	530818615	/nfs/dbraw/zinc/81/86/15/530818615.db2.gz	UPRSQSKKWUUGSC-NSHDSACASA-N	1	0	377.850	1.508	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000124476237	644707236	/nfs/dbraw/zinc/70/72/36/644707236.db2.gz	GTADCIKZHUPXAQ-LDYMZIIASA-N	1	0	378.248	1.763	10	5		GDBERO
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1[NH3+]	ZINC000701031199	654832160	/nfs/dbraw/zinc/83/21/60/654832160.db2.gz	RFHOJGXYBIIRAS-HQJQHLMTSA-N	1	0	375.166	1.619	10	5		GDBERO
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000124156370	530992586	/nfs/dbraw/zinc/99/25/86/530992586.db2.gz	VSEWWQOPVBTQHN-NSHDSACASA-N	1	0	377.850	1.508	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@H]12	ZINC000248701608	531081044	/nfs/dbraw/zinc/08/10/44/531081044.db2.gz	ZSBZOAUVOMHXBZ-INTQDDNPSA-N	1	0	390.259	1.715	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000173996533	644895731	/nfs/dbraw/zinc/89/57/31/644895731.db2.gz	IARXHJPZLLSPDS-SNVBAGLBSA-N	1	0	378.248	1.682	10	5		GDBERO
O=[N+]([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000178337013	530719656	/nfs/dbraw/zinc/71/96/56/530719656.db2.gz	SZSHJMHGJRELEC-SNVBAGLBSA-N	1	0	390.259	1.826	10	5		GDBERO
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000189587900	530916538	/nfs/dbraw/zinc/91/65/38/530916538.db2.gz	HUANOSPWSLRAFS-JTQLQIEISA-N	1	0	392.275	1.990	10	5		GDBERO
Cc1c(F)cc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-]	ZINC000248640387	531079941	/nfs/dbraw/zinc/07/99/41/531079941.db2.gz	BZPREIBPONVXQE-MNOVXSKESA-N	1	0	375.422	1.118	10	5		GDBERO
CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000187290150	530870667	/nfs/dbraw/zinc/87/06/67/530870667.db2.gz	HERWRVRIHWEINP-NSHDSACASA-N	1	0	375.422	1.847	10	5		GDBERO
Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000116900330	530909747	/nfs/dbraw/zinc/90/97/47/530909747.db2.gz	XNUOCTFGDNTLDR-NSHDSACASA-N	1	0	377.850	1.508	10	5		GDBERO
C[C@@H]([NH3+])[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1	ZINC000132979821	531086377	/nfs/dbraw/zinc/08/63/77/531086377.db2.gz	DQCWOIQNSBXAEX-PELKAZGASA-N	1	0	377.182	1.752	10	5		GDBERO
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000123479114	644696881	/nfs/dbraw/zinc/69/68/81/644696881.db2.gz	DHGYJLBIWYPXDS-JTQLQIEISA-N	1	0	378.248	1.859	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000124476912	644708051	/nfs/dbraw/zinc/70/80/51/644708051.db2.gz	GTADCIKZHUPXAQ-KWQFWETISA-N	1	0	378.248	1.763	10	5		GDBERO
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H]1[NH3+]	ZINC000701031201	654832283	/nfs/dbraw/zinc/83/22/83/654832283.db2.gz	RFHOJGXYBIIRAS-WRWORJQWSA-N	1	0	375.166	1.619	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000248621947	531080088	/nfs/dbraw/zinc/08/00/88/531080088.db2.gz	NDUPXPFTMGBPPN-HLUHBDAQSA-N	1	0	390.259	1.715	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@H]12	ZINC000248609925	531080231	/nfs/dbraw/zinc/08/02/31/531080231.db2.gz	KQNSHCRMIYUBSJ-PTOFAABTSA-N	1	0	390.259	1.715	10	5		GDBERO
C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC	ZINC000252478201	209031970	/nfs/dbraw/zinc/03/19/70/209031970.db2.gz	AFJPGVUCVDCFPM-VUUNCZEYSA-N	1	0	385.484	1.389	10	5	biogenic	GDBERO
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000123323459	530982583	/nfs/dbraw/zinc/98/25/83/530982583.db2.gz	HCPOBIFCIOALCX-ULKQDVFKSA-N	1	0	390.259	1.919	10	5		GDBERO
CN1CCO[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21	ZINC000284620831	531973589	/nfs/dbraw/zinc/97/35/89/531973589.db2.gz	UQJYBOUETAUCJW-KGLIPLIRSA-N	1	0	384.230	1.902	10	5		GDBERO
C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC	ZINC000252478200	209031447	/nfs/dbraw/zinc/03/14/47/209031447.db2.gz	AFJPGVUCVDCFPM-BUZGUNRKSA-N	1	0	385.484	1.389	10	5	biogenic	GDBERO
[NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000124488547	644708012	/nfs/dbraw/zinc/70/80/12/644708012.db2.gz	ZAOQROPQGSXNEA-KWQFWETISA-N	1	0	378.248	1.763	10	5		GDBERO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br	ZINC000252441867	531090400	/nfs/dbraw/zinc/09/04/00/531090400.db2.gz	AZDWCSLGGUTOEK-JTQLQIEISA-N	1	0	390.259	1.826	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@H]12	ZINC000248621956	531079635	/nfs/dbraw/zinc/07/96/35/531079635.db2.gz	NDUPXPFTMGBPPN-UBHAPETDSA-N	1	0	390.259	1.715	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000124505703	644708102	/nfs/dbraw/zinc/70/81/02/644708102.db2.gz	XIFIXNZZNVJHRC-GZMMTYOYSA-N	1	0	378.248	1.763	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1	ZINC000120309170	530939106	/nfs/dbraw/zinc/93/91/06/530939106.db2.gz	JKZNCYVLVPREIN-SECBINFHSA-N	1	0	378.248	1.682	10	5		GDBERO
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000236713437	531039006	/nfs/dbraw/zinc/03/90/06/531039006.db2.gz	OUYJIBRAIXYNEE-ZACCUICWSA-N	1	0	390.259	1.919	10	5		GDBERO
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000247232362	531073413	/nfs/dbraw/zinc/07/34/13/531073413.db2.gz	DBPCQJCECKFHRE-NSHDSACASA-N	1	0	390.259	1.826	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000124505502	644707953	/nfs/dbraw/zinc/70/79/53/644707953.db2.gz	XIFIXNZZNVJHRC-KCJUWKMLSA-N	1	0	378.248	1.763	10	5		GDBERO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000161463478	530560910	/nfs/dbraw/zinc/56/09/10/530560910.db2.gz	XVEQSKNUIWICDT-NSHDSACASA-N	1	0	377.488	1.370	10	5		GDBERO
COCC[N@H+](CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)COC	ZINC000036147888	570549572	/nfs/dbraw/zinc/54/95/72/570549572.db2.gz	BBMQJWLESUUVIY-HNNXBMFYSA-N	1	0	380.401	1.143	10	5		GDBERO
O=[N+]([O-])c1cc(I)ccc1NC[C@H]1C[NH2+]CCCO1	ZINC000390164490	532297735	/nfs/dbraw/zinc/29/77/35/532297735.db2.gz	AYOOYVUQWCDYOX-SNVBAGLBSA-N	1	0	377.182	1.990	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1	ZINC000170873555	530590340	/nfs/dbraw/zinc/59/03/40/530590340.db2.gz	USQMXBHUONDXER-SECBINFHSA-N	1	0	378.248	1.682	10	5		GDBERO
C[C@@H]([NH3+])[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1	ZINC000132980225	531086392	/nfs/dbraw/zinc/08/63/92/531086392.db2.gz	DQCWOIQNSBXAEX-PRHODGIISA-N	1	0	377.182	1.752	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000152198652	531148612	/nfs/dbraw/zinc/14/86/12/531148612.db2.gz	FXTSWHYHRIOUOE-LLVKDONJSA-N	1	0	389.193	1.976	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000238055703	645089672	/nfs/dbraw/zinc/08/96/72/645089672.db2.gz	LLAUITYNCPYPGT-WCBMZHEXSA-N	1	0	378.248	1.763	10	5		GDBERO
COc1ccc2c(c1)C(C[N+]13CN4CN(CN(C4)C1)C3)=CC(C)(C)N2C(C)=O	ZINC000059370568	717131562	/nfs/dbraw/zinc/13/15/62/717131562.db2.gz	YZRHMNAKBJJRKM-UHFFFAOYSA-N	1	0	384.504	1.732	10	5		GDBERO
CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C	ZINC000247215019	531073387	/nfs/dbraw/zinc/07/33/87/531073387.db2.gz	UXMNIRXEGRNCBZ-GFCCVEGCSA-N	1	0	391.877	1.980	10	5		GDBERO
C[N@@H+]1CCO[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21	ZINC000153178545	531164087	/nfs/dbraw/zinc/16/40/87/531164087.db2.gz	HRBWFNOPDARORU-STQMWFEESA-N	1	0	389.193	1.719	10	5		GDBERO
C[N@@H+]1CCO[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]21	ZINC000301645368	532037972	/nfs/dbraw/zinc/03/79/72/532037972.db2.gz	HRBWFNOPDARORU-CHWSQXEVSA-N	1	0	389.193	1.719	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000124476478	644707503	/nfs/dbraw/zinc/70/75/03/644707503.db2.gz	GTADCIKZHUPXAQ-KCJUWKMLSA-N	1	0	378.248	1.763	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000238018528	645089691	/nfs/dbraw/zinc/08/96/91/645089691.db2.gz	LLAUITYNCPYPGT-WPRPVWTQSA-N	1	0	378.248	1.763	10	5		GDBERO
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1	ZINC000183666615	530818622	/nfs/dbraw/zinc/81/86/22/530818622.db2.gz	UPRSQSKKWUUGSC-LLVKDONJSA-N	1	0	377.850	1.508	10	5		GDBERO
CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C[C@H](C)O	ZINC000246205310	531065225	/nfs/dbraw/zinc/06/52/25/531065225.db2.gz	QZMAMQDLDUGILI-RYUDHWBXSA-N	1	0	375.422	1.200	10	5		GDBERO
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000171770331	530602451	/nfs/dbraw/zinc/60/24/51/530602451.db2.gz	DBPCQJCECKFHRE-LLVKDONJSA-N	1	0	390.259	1.826	10	5		GDBERO
COc1c(F)cc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000188224589	530889617	/nfs/dbraw/zinc/88/96/17/530889617.db2.gz	YXBZUJASVHZILU-LLVKDONJSA-N	1	0	377.438	1.997	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000237805305	645087254	/nfs/dbraw/zinc/08/72/54/645087254.db2.gz	LLAUITYNCPYPGT-SCZZXKLOSA-N	1	0	378.248	1.763	10	5		GDBERO
C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C	ZINC000174286596	530646014	/nfs/dbraw/zinc/64/60/14/530646014.db2.gz	OSGSEWQWFBICRS-WDEREUQCSA-N	1	0	386.246	1.884	10	5		GDBERO
Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000184627305	530830014	/nfs/dbraw/zinc/83/00/14/530830014.db2.gz	IFWUGOFYNYVTFU-SNVBAGLBSA-N	1	0	399.245	1.767	10	5		GDBERO
O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000126070036	531014215	/nfs/dbraw/zinc/01/42/15/531014215.db2.gz	SVCKINDNZCDRNU-CQSZACIVSA-N	1	0	384.230	1.950	10	5		GDBERO
C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1	ZINC000155249594	531198137	/nfs/dbraw/zinc/19/81/37/531198137.db2.gz	IVELDLVQWAPXCD-ZDUSSCGKSA-N	1	0	386.246	1.689	10	5		GDBERO
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000264737892	531199494	/nfs/dbraw/zinc/19/94/94/531199494.db2.gz	JFAPJGIMWUNRGG-LLVKDONJSA-N	1	0	390.259	1.826	10	5		GDBERO
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H]1C[NH3+]	ZINC000708843576	654834324	/nfs/dbraw/zinc/83/43/24/654834324.db2.gz	RTXRUFDYXNABEN-BDAKNGLRSA-N	1	0	389.193	1.866	10	5		GDBERO
C[N@@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13	ZINC000261075009	717178583	/nfs/dbraw/zinc/17/85/83/717178583.db2.gz	ATCVVCBJNHXIEX-DBICXWQESA-O	1	0	385.484	1.398	10	5	in-man	GDBERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000173996547	644895684	/nfs/dbraw/zinc/89/56/84/644895684.db2.gz	IARXHJPZLLSPDS-JTQLQIEISA-N	1	0	378.248	1.682	10	5		GDBERO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br	ZINC000171771211	530602781	/nfs/dbraw/zinc/60/27/81/530602781.db2.gz	AZDWCSLGGUTOEK-SNVBAGLBSA-N	1	0	390.259	1.826	10	5		GDBERO
C[N@@H+]1CCO[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21	ZINC000153178644	531163889	/nfs/dbraw/zinc/16/38/89/531163889.db2.gz	HRBWFNOPDARORU-QWHCGFSZSA-N	1	0	389.193	1.719	10	5		GDBERO
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000183682382	530819409	/nfs/dbraw/zinc/81/94/09/530819409.db2.gz	GVQXFGHKLJUAFT-GFCCVEGCSA-N	1	0	391.877	1.682	10	5		GDBERO
O=[N+]([O-])c1cc(I)ccc1NCCCN1CC[NH2+]CC1	ZINC000097348929	530820975	/nfs/dbraw/zinc/82/09/75/530820975.db2.gz	ZUZBGXRGHMLCTL-UHFFFAOYSA-N	1	0	390.225	1.907	10	5		GDBERO
CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000302049973	532043806	/nfs/dbraw/zinc/04/38/06/532043806.db2.gz	WWCBSMWSNYVRKM-GFCCVEGCSA-N	1	0	377.272	1.946	10	5		GDBERO
C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193452828	645051927	/nfs/dbraw/zinc/05/19/27/645051927.db2.gz	FVDBIPZRJTVRBO-GZMMTYOYSA-N	1	0	378.248	1.776	10	5		GDBERO
C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1	ZINC000062969350	530743650	/nfs/dbraw/zinc/74/36/50/530743650.db2.gz	QPBNXDRZKGADDU-JTQLQIEISA-N	1	0	389.193	1.976	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@@H]12	ZINC000248609921	531080192	/nfs/dbraw/zinc/08/01/92/531080192.db2.gz	KQNSHCRMIYUBSJ-MKPLZMMCSA-N	1	0	390.259	1.715	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000237848088	645088023	/nfs/dbraw/zinc/08/80/23/645088023.db2.gz	LLAUITYNCPYPGT-PSASIEDQSA-N	1	0	378.248	1.763	10	5		GDBERO
O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br	ZINC000123315108	530982575	/nfs/dbraw/zinc/98/25/75/530982575.db2.gz	DODXMAFKEJJNEF-ULKQDVFKSA-N	1	0	390.259	1.919	10	5		GDBERO
CN1CCO[C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21	ZINC000284620833	531974265	/nfs/dbraw/zinc/97/42/65/531974265.db2.gz	UQJYBOUETAUCJW-ZIAGYGMSSA-N	1	0	384.230	1.902	10	5		GDBERO
[NH3+]C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCCO1	ZINC000313355881	532056490	/nfs/dbraw/zinc/05/64/90/532056490.db2.gz	NLBHXAWHNUCDFK-SNVBAGLBSA-N	1	0	377.182	1.753	10	5		GDBERO
[NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000124505930	644708056	/nfs/dbraw/zinc/70/80/56/644708056.db2.gz	XIFIXNZZNVJHRC-KWQFWETISA-N	1	0	378.248	1.763	10	5		GDBERO
O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1C[NH2+]CCCO1	ZINC000390164488	532297963	/nfs/dbraw/zinc/29/79/63/532297963.db2.gz	AYOOYVUQWCDYOX-JTQLQIEISA-N	1	0	377.182	1.990	10	5		GDBERO
C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000701031469	654832256	/nfs/dbraw/zinc/83/22/56/654832256.db2.gz	SCBZMVXAYHBLNZ-HQJQHLMTSA-N	1	0	375.166	1.761	10	5		GDBERO
C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1	ZINC000170868142	530590352	/nfs/dbraw/zinc/59/03/52/530590352.db2.gz	KEKKJWAVNDSTEU-JTQLQIEISA-N	1	0	389.193	1.976	10	5		GDBERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000062970743	530743512	/nfs/dbraw/zinc/74/35/12/530743512.db2.gz	PPZXHYVREKSISW-SNVBAGLBSA-N	1	0	378.248	1.682	10	5		GDBERO
[NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@H]12	ZINC000248609929	531079706	/nfs/dbraw/zinc/07/97/06/531079706.db2.gz	KQNSHCRMIYUBSJ-UBHAPETDSA-N	1	0	390.259	1.715	10	5		GDBERO
C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000193447480	645051484	/nfs/dbraw/zinc/05/14/84/645051484.db2.gz	FCDLMDXNOXGYLI-SCZZXKLOSA-N	1	0	378.248	1.776	10	5		GDBERO
C[NH+](C)[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000152198726	531148467	/nfs/dbraw/zinc/14/84/67/531148467.db2.gz	FXTSWHYHRIOUOE-NSHDSACASA-N	1	0	389.193	1.976	10	5		GDBERO
C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193452843	645052142	/nfs/dbraw/zinc/05/21/42/645052142.db2.gz	FVDBIPZRJTVRBO-KCJUWKMLSA-N	1	0	378.248	1.776	10	5		GDBERO
C[C@H](O)C[NH+]1CCC(CN(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000179877268	530752463	/nfs/dbraw/zinc/75/24/63/530752463.db2.gz	SNOJDJAGVGUTCT-NSHDSACASA-N	1	0	391.515	1.589	10	5		GDBERO
C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1	ZINC000180925796	530774058	/nfs/dbraw/zinc/77/40/58/530774058.db2.gz	ZLZVTABZQUSHLA-ZDUSSCGKSA-N	1	0	388.515	1.447	10	5		GDBERO
C[N@@H+]1CCO[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]21	ZINC000301645369	532038624	/nfs/dbraw/zinc/03/86/24/532038624.db2.gz	HRBWFNOPDARORU-OLZOCXBDSA-N	1	0	389.193	1.719	10	5		GDBERO
CCO[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000405526828	532307012	/nfs/dbraw/zinc/30/70/12/532307012.db2.gz	LDFQGIBGRCUMHD-NOZJJQNGSA-N	1	0	391.209	1.999	10	5		GDBERO
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H]1C[NH3+]	ZINC000708843578	654834392	/nfs/dbraw/zinc/83/43/92/654834392.db2.gz	RTXRUFDYXNABEN-DTWKUNHWSA-N	1	0	389.193	1.866	10	5		GDBERO
C[C@@H](O)C[NH+]1CCC(CN(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000179877287	530752268	/nfs/dbraw/zinc/75/22/68/530752268.db2.gz	SNOJDJAGVGUTCT-LLVKDONJSA-N	1	0	391.515	1.589	10	5		GDBERO
Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-]	ZINC000184627290	530830256	/nfs/dbraw/zinc/83/02/56/530830256.db2.gz	IFWUGOFYNYVTFU-JTQLQIEISA-N	1	0	399.245	1.767	10	5		GDBERO
COc1c(F)cc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000187233812	530869023	/nfs/dbraw/zinc/86/90/23/530869023.db2.gz	SMWTXJBEJSBUQS-GWCFXTLKSA-N	1	0	375.422	1.750	10	5		GDBERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1	ZINC000170873556	530590311	/nfs/dbraw/zinc/59/03/11/530590311.db2.gz	USQMXBHUONDXER-VIFPVBQESA-N	1	0	378.248	1.682	10	5		GDBERO
[NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000123447622	644696162	/nfs/dbraw/zinc/69/61/62/644696162.db2.gz	LTKGZJOODFPURX-SECBINFHSA-N	1	0	378.248	1.859	10	5		GDBERO
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000123447878	644696232	/nfs/dbraw/zinc/69/62/32/644696232.db2.gz	LTKGZJOODFPURX-VIFPVBQESA-N	1	0	378.248	1.859	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000124488115	644707865	/nfs/dbraw/zinc/70/78/65/644707865.db2.gz	ZAOQROPQGSXNEA-KCJUWKMLSA-N	1	0	378.248	1.763	10	5		GDBERO
O=C(NC[C@H]1CN(C2CC2)CCO1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000126070238	531013918	/nfs/dbraw/zinc/01/39/18/531013918.db2.gz	SVCKINDNZCDRNU-AWEZNQCLSA-N	1	0	384.230	1.950	10	5		GDBERO
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000189587921	530916737	/nfs/dbraw/zinc/91/67/37/530916737.db2.gz	HUANOSPWSLRAFS-SNVBAGLBSA-N	1	0	392.275	1.990	10	5		GDBERO
[NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@H]12	ZINC000248621953	531079647	/nfs/dbraw/zinc/07/96/47/531079647.db2.gz	NDUPXPFTMGBPPN-PTOFAABTSA-N	1	0	390.259	1.715	10	5		GDBERO
[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000124487870	644707988	/nfs/dbraw/zinc/70/79/88/644707988.db2.gz	ZAOQROPQGSXNEA-LDYMZIIASA-N	1	0	378.248	1.763	10	5		GDBERO
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000249702000	531089117	/nfs/dbraw/zinc/08/91/17/531089117.db2.gz	IRBIHAQNINTPLA-NSHDSACASA-N	1	0	390.259	1.826	10	5		GDBERO