smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000005615686	204143307	/nfs/dbraw/zinc/14/33/07/204143307.db2.gz	BYHUEJIXMCUORK-YHARCJFQSA-N	1	0	390.551	3.945	40	30		GHEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(C)c3)n2)cc1	ZINC000020477872	525662237	/nfs/dbraw/zinc/66/22/37/525662237.db2.gz	PTAAOPUGFJQUSF-UHFFFAOYSA-N	1	0	379.489	3.737	40	30		GHEBRO
Cc1cccnc1C[N@@H+]1CCC[C@@H](c2csc(Nc3ccc(C#N)nc3)n2)C1	ZINC000585294548	570717050	/nfs/dbraw/zinc/71/70/50/570717050.db2.gz	IFDCWLVQWMZHLZ-MRXNPFEDSA-N	1	0	390.516	3.658	40	30		GHEBRO
C#CCOc1cccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)c1	ZINC000012220561	570236198	/nfs/dbraw/zinc/23/61/98/570236198.db2.gz	CXVBAXARDVCPHT-UHFFFAOYSA-N	1	0	391.515	3.676	40	30		GHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1	ZINC000224233401	570384104	/nfs/dbraw/zinc/38/41/04/570384104.db2.gz	FLMOSFINHNJQED-UHFFFAOYSA-N	1	0	392.525	3.806	40	30		GHEBRO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC1CCC1)C2	ZINC000049171703	519346700	/nfs/dbraw/zinc/34/67/00/519346700.db2.gz	LSBPHCXTPXWCKI-SFTDATJTSA-N	1	0	377.532	3.935	40	30	biogenic,in-vitro	GHEBRO
C=CCOc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000225743937	526893705	/nfs/dbraw/zinc/89/37/05/526893705.db2.gz	MBPAPUXDJLGVCQ-UHFFFAOYSA-N	1	0	381.545	3.986	40	30		GHEBRO
O=C(C[n+]1ccc(C(=O)NCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004766810	527195131	/nfs/dbraw/zinc/19/51/31/527195131.db2.gz	VZPJVGLQBDYLPF-UHFFFAOYSA-O	1	0	389.519	3.690	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000039772804	570446602	/nfs/dbraw/zinc/44/66/02/570446602.db2.gz	YJLRFWWHIVMZML-UHFFFAOYSA-N	1	0	391.515	3.762	40	30		GHEBRO
C[C@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000035031558	524938281	/nfs/dbraw/zinc/93/82/81/524938281.db2.gz	FEACBXQMCWENHN-GBESFXJTSA-N	1	0	377.598	3.733	40	30		GHEBRO
C[C@@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000035031563	525284452	/nfs/dbraw/zinc/28/44/52/525284452.db2.gz	FEACBXQMCWENHN-GUDVDZBRSA-N	1	0	377.598	3.733	40	30		GHEBRO
C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)c1	ZINC000012293155	570236134	/nfs/dbraw/zinc/23/61/34/570236134.db2.gz	PCKZTMGXFAHPAH-VXMMSVGHSA-N	1	0	377.484	3.722	40	30		GHEBRO
CN(C)c1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000008652906	204282001	/nfs/dbraw/zinc/28/20/01/204282001.db2.gz	BYHUEJIXMCUORK-BMJUYKDLSA-N	1	0	390.551	3.945	40	30		GHEBRO
C[S+]=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1	ZINC000016248652	570912210	/nfs/dbraw/zinc/91/22/10/570912210.db2.gz	ZVHGDKCHXKGCPC-UHFFFAOYSA-N	1	0	395.595	3.774	40	30		GHEBRO
C#CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)cc1OC	ZINC000019550171	518325258	/nfs/dbraw/zinc/32/52/58/518325258.db2.gz	UWKBSCGOADTJLJ-XZOQPEGZSA-N	1	0	390.527	3.599	40	30		GHEBRO
COc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC#N	ZINC000036612317	522455606	/nfs/dbraw/zinc/45/56/06/522455606.db2.gz	YZVJZTKDCFBWJM-UHFFFAOYSA-N	1	0	375.266	3.692	40	30		GHEBRO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1	ZINC000022078435	524054909	/nfs/dbraw/zinc/05/49/09/524054909.db2.gz	UPBLKTOHFOWGML-IBGZPJMESA-N	1	0	398.890	3.870	40	30		GHEBRO
C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2nccs2)C1=O	ZINC000306140865	570311977	/nfs/dbraw/zinc/31/19/77/570311977.db2.gz	VFUDTYFMEWMEFP-UGKGYDQZSA-N	1	0	381.545	3.764	40	30		GHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1	ZINC000223091700	571049000	/nfs/dbraw/zinc/04/90/00/571049000.db2.gz	HFRNMNOSJZKDLG-UHFFFAOYSA-N	1	0	392.525	3.806	40	30		GHEBRO
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccc(C#N)cc2)Cc2c[nH]c3cccc1c23	ZINC000049171362	560084359	/nfs/dbraw/zinc/08/43/59/560084359.db2.gz	ZKIDLKUYPBOMOS-VXKWHMMOSA-N	1	0	386.499	3.957	40	30	biogenic,in-vitro	GHEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccccc3C)n2)cc1	ZINC000020555668	570277722	/nfs/dbraw/zinc/27/77/22/570277722.db2.gz	XLHBRSWURGAZQY-UHFFFAOYSA-N	1	0	379.489	3.737	40	30		GHEBRO
Cc1ccc(S(=O)(=O)OC[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(F)cc2)cc1	ZINC000022065663	570303953	/nfs/dbraw/zinc/30/39/53/570303953.db2.gz	LYVSPZZHZZMALL-PXNSSMCTSA-N	1	0	377.481	3.575	40	30	in-vitro	GHEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2nccs2)C1=O	ZINC000306140862	570311863	/nfs/dbraw/zinc/31/18/63/570311863.db2.gz	VFUDTYFMEWMEFP-DENIHFKCSA-N	1	0	381.545	3.764	40	30		GHEBRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)c1	ZINC000306142448	206207062	/nfs/dbraw/zinc/20/70/62/206207062.db2.gz	WZLRZRWTRXWEHQ-VXKWHMMOSA-N	1	0	381.483	3.732	40	30		GHEBRO
C[N+](C)(C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000017198622	525358267	/nfs/dbraw/zinc/35/82/67/525358267.db2.gz	XWWQIGFMXIYJTA-SWRBISBUSA-N	1	0	389.519	3.661	40	30		GHEBRO
O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1nccs1	ZINC000027526095	527193771	/nfs/dbraw/zinc/19/37/71/527193771.db2.gz	NAZXASWNOCCHQR-UHFFFAOYSA-O	1	0	394.307	3.791	40	30		GHEBRO
CCOc1cc([C@H]2NC(=[NH2+])NC(C)=C2C(C)=O)ccc1OCc1ccccc1	ZINC000408731895	528335074	/nfs/dbraw/zinc/33/50/74/528335074.db2.gz	QNIZJEQFLCZFKI-OAQYLSRUSA-N	1	0	379.460	3.696	40	30		GHEBRO
N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccncc1)CC2	ZINC000585100324	570710656	/nfs/dbraw/zinc/71/06/56/570710656.db2.gz	JZDRDKSSDACQHU-QHCPKHFHSA-N	1	0	392.478	3.753	40	30		GHEBRO
N#Cc1cccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)c1	ZINC000306142446	206207412	/nfs/dbraw/zinc/20/74/12/206207412.db2.gz	WZLRZRWTRXWEHQ-FCHUYYIVSA-N	1	0	381.483	3.732	40	30		GHEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1OC)C2	ZINC000012345654	570236737	/nfs/dbraw/zinc/23/67/37/570236737.db2.gz	SHXYWAPSDQKEMD-VXMMSVGHSA-N	1	0	377.484	3.722	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038855757	570252111	/nfs/dbraw/zinc/25/21/11/570252111.db2.gz	NZJCWKKIQMDXFI-GOSISDBHSA-N	1	0	395.478	3.592	40	30		GHEBRO
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000008300630	890148954	/nfs/dbraw/zinc/14/89/54/890148954.db2.gz	BAFMIEIAHFMKQX-CMKODMSKSA-N	1	0	375.472	3.944	40	30	biogenic,in-vitro	GHEBRO
O[C@@H](C[NH2+]Cc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100238882	527652670	/nfs/dbraw/zinc/65/26/70/527652670.db2.gz	LTRNBXMYHOAEBK-SNVBAGLBSA-N	1	0	383.254	3.995	40	30		GHEBRO
N#Cc1ccnc(Nc2nc(C3CC[NH+](Cc4ccccn4)CC3)cs2)c1	ZINC000585295328	570718466	/nfs/dbraw/zinc/71/84/66/570718466.db2.gz	VMMALMHHZQHTGT-UHFFFAOYSA-N	1	0	376.489	3.928	40	30		GHEBRO
C=CCn1ncc(C[N@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1C	ZINC000072396701	519291599	/nfs/dbraw/zinc/29/15/99/519291599.db2.gz	RSWGDSNUEBGXPL-HNNXBMFYSA-N	1	0	384.509	3.572	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038855759	570252321	/nfs/dbraw/zinc/25/23/21/570252321.db2.gz	NZJCWKKIQMDXFI-SFHVURJKSA-N	1	0	395.478	3.592	40	30		GHEBRO
C#CCOc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1	ZINC000013994514	570268613	/nfs/dbraw/zinc/26/86/13/570268613.db2.gz	GJQXRMYVWXFELL-OAQYLSRUSA-N	1	0	379.456	3.609	40	30		GHEBRO
C#CCOc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1	ZINC000013994511	570268629	/nfs/dbraw/zinc/26/86/29/570268629.db2.gz	GJQXRMYVWXFELL-NRFANRHFSA-N	1	0	379.456	3.609	40	30		GHEBRO
C=CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC	ZINC000006170139	916524633	/nfs/dbraw/zinc/52/46/33/916524633.db2.gz	HFEJDRVEBHWQPZ-UHFFFAOYSA-N	1	0	382.529	3.753	40	30		GHEBRO
[NH2+]=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cn1	ZINC000225235081	231033412	/nfs/dbraw/zinc/03/34/12/231033412.db2.gz	OBDYMRMUSMYFSW-UHFFFAOYSA-N	1	0	375.432	3.939	40	30		GHEBRO
C[N+](C)(C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1	ZINC000005808147	204153557	/nfs/dbraw/zinc/15/35/57/204153557.db2.gz	XWWQIGFMXIYJTA-LKNRODPVSA-N	1	0	389.519	3.661	40	30		GHEBRO
O=S1(=O)C[C@@H]([NH+]2CCCCC2)C2=C(O1)c1ccccc1N(c1ccccc1)C2	ZINC000031761762	570505887	/nfs/dbraw/zinc/50/58/87/570505887.db2.gz	ICUOXXXLEILBIC-OAQYLSRUSA-N	1	0	396.512	3.764	40	30		GHEBRO
Cc1cccnc1C[N@@H+]1CCC[C@H](c2csc(Nc3ccc(C#N)nc3)n2)C1	ZINC000585294544	570718521	/nfs/dbraw/zinc/71/85/21/570718521.db2.gz	IFDCWLVQWMZHLZ-INIZCTEOSA-N	1	0	390.516	3.658	40	30		GHEBRO
Cc1ccc(C[NH+]2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)nc1	ZINC000585295344	570279605	/nfs/dbraw/zinc/27/96/05/570279605.db2.gz	VZUBSQFYILBPPQ-UHFFFAOYSA-N	1	0	399.502	3.878	40	30		GHEBRO
N#Cc1cccc(N2CCC[C@]3(CN(Cc4cccnc4)CC(F)(F)C3)C2=O)c1	ZINC000306123001	209094578	/nfs/dbraw/zinc/09/45/78/209094578.db2.gz	ABYRHNUGYUYVES-NRFANRHFSA-N	1	0	396.441	3.608	40	30		GHEBRO
C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OC	ZINC000022076661	519002121	/nfs/dbraw/zinc/00/21/21/519002121.db2.gz	CTRSVYBCCFVISJ-QGZVFWFLSA-N	1	0	392.293	3.846	40	30		GHEBRO
CCOc1cc([C@@H]2NC(=[NH2+])NC(C)=C2C(C)=O)ccc1OCc1ccccc1	ZINC000408731894	528333719	/nfs/dbraw/zinc/33/37/19/528333719.db2.gz	QNIZJEQFLCZFKI-NRFANRHFSA-N	1	0	379.460	3.696	40	30		GHEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br	ZINC000008254588	560107834	/nfs/dbraw/zinc/10/78/34/560107834.db2.gz	PIKGJYXBYADXFM-SOUVJXGZSA-N	1	0	394.382	3.940	40	30	biogenic,in-vitro	GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccnc1	ZINC000024672172	570404116	/nfs/dbraw/zinc/40/41/16/570404116.db2.gz	XYELHIOIOITMQJ-HXUWFJFHSA-N	1	0	387.524	3.658	40	30		GHEBRO
N#Cc1ccc(Nc2cnc([C@@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)cn2)cn1	ZINC000585294044	570718413	/nfs/dbraw/zinc/71/84/13/570718413.db2.gz	MZELSXLVWDWVQY-QFIPXVFZSA-N	1	0	395.470	3.727	40	30		GHEBRO
O=C(C[n+]1csc2ccccc21)c1ccc(I)cc1	ZINC000001595230	206387511	/nfs/dbraw/zinc/38/75/11/206387511.db2.gz	BDOVKIYRVPMZIP-UHFFFAOYSA-N	1	0	380.230	3.676	40	30		GHEBRO
CN(C)c1ccc(/C=C2\C[N+](C)(C)C/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000018062290	522132937	/nfs/dbraw/zinc/13/29/37/522132937.db2.gz	BYHUEJIXMCUORK-KBNZVFGVSA-N	1	0	390.551	3.945	40	30		GHEBRO
CC#CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]([NH2+]Cc2ccccc2)[C@H]1O	ZINC000257204602	206288177	/nfs/dbraw/zinc/28/81/77/206288177.db2.gz	AVLDFNURGUAQHU-UBFVSLLYSA-N	1	0	376.544	3.974	40	30		GHEBRO
CCCCCCCCSC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000002090618	520045903	/nfs/dbraw/zinc/04/59/03/520045903.db2.gz	XVCNYYCPAKHFJJ-AABGKKOBSA-N	1	0	392.609	3.722	40	30		GHEBRO
C=C(C)COc1cccc(C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1	ZINC000012188220	206245470	/nfs/dbraw/zinc/24/54/70/206245470.db2.gz	OGFHPQSMYZUHJH-UHFFFAOYSA-N	1	0	381.472	3.854	40	30		GHEBRO
Oc1ccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1O	ZINC000013941021	207003577	/nfs/dbraw/zinc/00/35/77/207003577.db2.gz	GKLQFLINJRNJOX-XYGWBWBKSA-N	1	0	385.467	3.819	40	30		GHEBRO
Cc1cncc(C[N@@H+]2CCC[C@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)c1	ZINC000585295118	570717887	/nfs/dbraw/zinc/71/78/87/570717887.db2.gz	MHVVVXQOIGMHMB-KRWDZBQOSA-N	1	0	390.516	3.658	40	30		GHEBRO
N#Cc1cccc(CN2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216289	208286432	/nfs/dbraw/zinc/28/64/32/208286432.db2.gz	MDKIETUKFRKCKZ-XMMPIXPASA-N	1	0	375.516	3.925	40	30		GHEBRO
C=CCc1ccccc1OC[C@H](S)C[NH+]1CCN(c2ccccc2OC)CC1	ZINC000095532730	519147414	/nfs/dbraw/zinc/14/74/14/519147414.db2.gz	NKXANEQIIPDPNV-HXUWFJFHSA-N	1	0	398.572	3.923	40	30		GHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cc1	ZINC000012345083	570236546	/nfs/dbraw/zinc/23/65/46/570236546.db2.gz	NIRVHYAZVWONFP-VXMMSVGHSA-N	1	0	377.484	3.722	40	30		GHEBRO
Cc1nc(Nc2ccc(C#N)nc2)cc(C2CC[NH+](Cc3ccncc3)CC2)n1	ZINC000585293949	570263559	/nfs/dbraw/zinc/26/35/59/570263559.db2.gz	CAJALBAPZDWSTG-UHFFFAOYSA-N	1	0	385.475	3.570	40	30		GHEBRO
C/C(=N/OC[C@H](O)C[NH2+]CCSCc1ccccc1)c1ccccc1Cl	ZINC000005566162	570446313	/nfs/dbraw/zinc/44/63/13/570446313.db2.gz	OWCXOARYKZIWND-MPGAHLTBSA-N	1	0	392.952	3.965	40	30		GHEBRO
Cc1cccnc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294617	570719895	/nfs/dbraw/zinc/71/98/95/570719895.db2.gz	SHXGQWKGUQUFAS-SFHVURJKSA-N	1	0	376.489	3.616	40	30		GHEBRO
N#Cc1c(N[N+](=O)c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1	ZINC000013410924	570754353	/nfs/dbraw/zinc/75/43/53/570754353.db2.gz	CIRQOGLYUUWSKM-FVDSYPCUSA-N	1	0	380.371	3.727	40	30		GHEBRO
C=CCN1CC[C@@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2nccs2)C1=O	ZINC000306140863	518868020	/nfs/dbraw/zinc/86/80/20/518868020.db2.gz	VFUDTYFMEWMEFP-KNQAVFIVSA-N	1	0	381.545	3.764	40	30		GHEBRO
C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073730	570615124	/nfs/dbraw/zinc/61/51/24/570615124.db2.gz	SSCYZNWHTIRQSX-VWOPSUBDSA-N	1	0	387.520	3.717	40	30		GHEBRO
Cc1cncc(C[N@@H+]2CCC[C@@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)c1	ZINC000585295119	570718479	/nfs/dbraw/zinc/71/84/79/570718479.db2.gz	MHVVVXQOIGMHMB-QGZVFWFLSA-N	1	0	390.516	3.658	40	30		GHEBRO
C[C@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000035031567	524823955	/nfs/dbraw/zinc/82/39/55/524823955.db2.gz	FEACBXQMCWENHN-IPMKNSEASA-N	1	0	377.598	3.733	40	30		GHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC	ZINC000012345257	570236634	/nfs/dbraw/zinc/23/66/34/570236634.db2.gz	IUNVXCFPEZKXBQ-SVGJNIJCSA-N	1	0	395.474	3.861	40	30		GHEBRO
C#CCOc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1OCC	ZINC000012330658	570237090	/nfs/dbraw/zinc/23/70/90/570237090.db2.gz	JKAYAXLDCXVVCK-UHFFFAOYSA-N	1	0	379.500	3.889	40	30		GHEBRO
O=S1(=O)C[C@H]([NH+]2CCCCC2)C2=C(O1)c1ccccc1N(c1ccccc1)C2	ZINC000031761768	570505691	/nfs/dbraw/zinc/50/56/91/570505691.db2.gz	ICUOXXXLEILBIC-NRFANRHFSA-N	1	0	396.512	3.764	40	30		GHEBRO
C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000012866416	570814809	/nfs/dbraw/zinc/81/48/09/570814809.db2.gz	SSCYZNWHTIRQSX-ALEWCRNBSA-N	1	0	387.520	3.717	40	30		GHEBRO
C=CCSc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000219820669	206259297	/nfs/dbraw/zinc/25/92/97/206259297.db2.gz	WAPCZFDBYKUASN-UHFFFAOYSA-N	1	0	381.545	3.647	40	30		GHEBRO
N#Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216373	208287431	/nfs/dbraw/zinc/28/74/31/208287431.db2.gz	QJAPXDHKMZZIHC-XMMPIXPASA-N	1	0	389.499	3.565	40	30		GHEBRO
C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(CC#N)cc3)cc2)CC1	ZINC000225772475	530050901	/nfs/dbraw/zinc/05/09/01/530050901.db2.gz	PSRKSAFQBOIXOQ-UHFFFAOYSA-N	1	0	394.544	3.712	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000009063039	922561053	/nfs/dbraw/zinc/56/10/53/922561053.db2.gz	NWGOZFKQJJMNOY-UHFFFAOYSA-N	1	0	391.515	3.762	40	30		GHEBRO
C=CCc1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1OC	ZINC000012344702	570236646	/nfs/dbraw/zinc/23/66/46/570236646.db2.gz	CPIWGUFOLOWHEC-UHFFFAOYSA-N	1	0	397.515	3.925	40	30		GHEBRO
COc1cc(OC)c(C=NNc2cc(C)[nH+]c3cc4c(cc23)OCO4)c(OC)c1	ZINC000005392925	570437334	/nfs/dbraw/zinc/43/73/34/570437334.db2.gz	ZVEXHICWHZJRRA-YVNNLAQVSA-N	1	0	395.415	3.744	40	30		GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccn1	ZINC000024672179	570404255	/nfs/dbraw/zinc/40/42/55/570404255.db2.gz	ZTIWGGYDAQCHDO-FQEVSTJZSA-N	1	0	387.524	3.658	40	30		GHEBRO
O[C@H](C[NH2+]Cc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100238884	526278107	/nfs/dbraw/zinc/27/81/07/526278107.db2.gz	LTRNBXMYHOAEBK-JTQLQIEISA-N	1	0	383.254	3.995	40	30		GHEBRO
N#Cc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216285	211319786	/nfs/dbraw/zinc/31/97/86/211319786.db2.gz	MDKIETUKFRKCKZ-DEOSSOPVSA-N	1	0	375.516	3.925	40	30		GHEBRO
C=CCN1CC[N@H+](CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O	ZINC000019015356	518865493	/nfs/dbraw/zinc/86/54/93/518865493.db2.gz	ZELIYZMTTAWODO-QHCPKHFHSA-N	1	0	375.516	3.648	40	30		GHEBRO
C=CCc1ccccc1OC[C@@H](S)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022872253	519146670	/nfs/dbraw/zinc/14/66/70/519146670.db2.gz	ABEOVEOPJGXRFJ-QFIPXVFZSA-N	1	0	382.573	3.910	40	30		GHEBRO
Cc1nc(Nc2ccc(C#N)nc2)cc(C2CC[NH+](Cc3ccccn3)CC2)n1	ZINC000585294551	570716740	/nfs/dbraw/zinc/71/67/40/570716740.db2.gz	IHDIUMQQDFRUNN-UHFFFAOYSA-N	1	0	385.475	3.570	40	30		GHEBRO
C#CCOc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1	ZINC000013994535	209166674	/nfs/dbraw/zinc/16/66/74/209166674.db2.gz	MXJJYPQIELANDL-NRFANRHFSA-N	1	0	379.456	3.609	40	30		GHEBRO
CC(=O)Nc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1	ZINC000328973126	570210113	/nfs/dbraw/zinc/21/01/13/570210113.db2.gz	DYUYYVMRDXPEEL-UHFFFAOYSA-N	1	0	396.417	3.632	40	30		GHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)s1	ZINC000224400063	570401197	/nfs/dbraw/zinc/40/11/97/570401197.db2.gz	RQVUBLOVCJTARP-UHFFFAOYSA-N	1	0	388.562	3.975	40	30		GHEBRO
Cc1cccc(CN2CCO[C@@]3(C2)CCC[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134391	212052015	/nfs/dbraw/zinc/05/20/15/212052015.db2.gz	NLRGTKGSVUSQQT-DEOSSOPVSA-N	1	0	390.531	3.519	40	30		GHEBRO
C#CCOc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1	ZINC000013994538	209166965	/nfs/dbraw/zinc/16/69/65/209166965.db2.gz	MXJJYPQIELANDL-OAQYLSRUSA-N	1	0	379.456	3.609	40	30		GHEBRO
N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216369	211320044	/nfs/dbraw/zinc/32/00/44/211320044.db2.gz	QJAPXDHKMZZIHC-DEOSSOPVSA-N	1	0	389.499	3.565	40	30		GHEBRO
C=CCc1ccccc1OC[C@H](S)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022872250	519147087	/nfs/dbraw/zinc/14/70/87/519147087.db2.gz	ABEOVEOPJGXRFJ-JOCHJYFZSA-N	1	0	382.573	3.910	40	30		GHEBRO
C=CCSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1	ZINC000224076520	570353000	/nfs/dbraw/zinc/35/30/00/570353000.db2.gz	HZFLPQCENWQYLH-AWEZNQCLSA-N	1	0	392.525	3.806	40	30		GHEBRO
Cc1cccnc1C[NH+]1CCC(c2cc(Nc3ccc(C#N)nc3)nc(C)n2)CC1	ZINC000585294444	570719263	/nfs/dbraw/zinc/71/92/63/570719263.db2.gz	FPHLCPJIVZRJDR-UHFFFAOYSA-N	1	0	399.502	3.878	40	30		GHEBRO
C#CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)cc1OC	ZINC000019550169	518326227	/nfs/dbraw/zinc/32/62/27/518326227.db2.gz	UWKBSCGOADTJLJ-GOTSBHOMSA-N	1	0	390.527	3.599	40	30		GHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC	ZINC000012345247	570237069	/nfs/dbraw/zinc/23/70/69/570237069.db2.gz	DVZRVENLHWSKQL-QRQCMCJISA-N	1	0	395.474	3.861	40	30		GHEBRO
C=CCSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1	ZINC000224076463	570354136	/nfs/dbraw/zinc/35/41/36/570354136.db2.gz	HZFLPQCENWQYLH-CQSZACIVSA-N	1	0	392.525	3.806	40	30		GHEBRO
N#Cc1ccc(Nc2cnc([C@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)cn2)cn1	ZINC000585294043	570720513	/nfs/dbraw/zinc/72/05/13/570720513.db2.gz	MZELSXLVWDWVQY-JOCHJYFZSA-N	1	0	395.470	3.727	40	30		GHEBRO
C=CCOc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217036557	209181571	/nfs/dbraw/zinc/18/15/71/209181571.db2.gz	WNLAMTNJAWZUCH-UHFFFAOYSA-N	1	0	380.488	3.654	40	30		GHEBRO
N#Cc1c(N[N+](=O)c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1	ZINC000100349194	211385607	/nfs/dbraw/zinc/38/56/07/211385607.db2.gz	CIRQOGLYUUWSKM-AZPGRJICSA-N	1	0	380.371	3.727	40	30		GHEBRO
C=CCc1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1O	ZINC000012344198	570237029	/nfs/dbraw/zinc/23/70/29/570237029.db2.gz	HIHWEBCXGDKXKX-UHFFFAOYSA-N	1	0	383.488	3.622	40	30		GHEBRO
CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cc1	ZINC000585292999	570717834	/nfs/dbraw/zinc/71/78/34/570717834.db2.gz	BNBRRRPLNNICEN-QFIPXVFZSA-N	1	0	399.502	3.890	40	30		GHEBRO
Cc1cncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)c1	ZINC000585295093	570719116	/nfs/dbraw/zinc/71/91/16/570719116.db2.gz	ZUCSLWHFTUQSPD-SFHVURJKSA-N	1	0	376.489	3.616	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1	ZINC000009062924	922561166	/nfs/dbraw/zinc/56/11/66/922561166.db2.gz	GZNRKCYICJBBIC-UHFFFAOYSA-N	1	0	391.515	3.762	40	30		GHEBRO
C[N+](C)(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000016957511	210200177	/nfs/dbraw/zinc/20/01/77/210200177.db2.gz	XWWQIGFMXIYJTA-IDUDEYGOSA-N	1	0	389.519	3.661	40	30		GHEBRO
N#Cc1cccc(C[N@H+]2C[C@@H]3c4nc(NCc5ccccc5)ncc4C[C@@H]3C2)c1	ZINC000306142449	212055599	/nfs/dbraw/zinc/05/55/99/212055599.db2.gz	WZLRZRWTRXWEHQ-YADHBBJMSA-N	1	0	381.483	3.732	40	30		GHEBRO
C=CCc1ccccc1OC[C@@H](S)C[NH+]1CCN(c2ccccc2OC)CC1	ZINC000095532728	519147479	/nfs/dbraw/zinc/14/74/79/519147479.db2.gz	NKXANEQIIPDPNV-FQEVSTJZSA-N	1	0	398.572	3.923	40	30		GHEBRO
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1	ZINC000019129347	209172826	/nfs/dbraw/zinc/17/28/26/209172826.db2.gz	IHIFZMILNNWFKJ-QGZVFWFLSA-N	1	0	377.492	3.564	40	30		GHEBRO
C=CCc1c2ccc(OC)c(OC)c2c[n+]2c1-c1cc3c(cc1CC2)OCO3	ZINC000001575029	209168599	/nfs/dbraw/zinc/16/85/99/209168599.db2.gz	JWJSTOFHGUFXFO-UHFFFAOYSA-N	1	0	376.432	3.825	40	30		GHEBRO
C#CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(OC)cc1)C2	ZINC000012345665	570237157	/nfs/dbraw/zinc/23/71/57/570237157.db2.gz	JBYKPYZVLDVKCA-SVGJNIJCSA-N	1	0	377.484	3.722	40	30		GHEBRO
CCC1(CC)CCC(C(=O)OC)=C1NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005431683	570438771	/nfs/dbraw/zinc/43/87/71/570438771.db2.gz	QCBDMLPVBNZKRR-WGBIJJAVSA-N	1	0	378.385	3.660	40	30		GHEBRO
C=C(C)C(=O)OC[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1	ZINC000000859641	570497953	/nfs/dbraw/zinc/49/79/53/570497953.db2.gz	VACPSCTUPFBPCX-UHFFFAOYSA-N	1	0	390.503	3.613	40	30		GHEBRO
CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cc1	ZINC000585292993	570720497	/nfs/dbraw/zinc/72/04/97/570720497.db2.gz	BNBRRRPLNNICEN-JOCHJYFZSA-N	1	0	399.502	3.890	40	30		GHEBRO
C/C(=N\OC[C@H](O)C[NH2+]CCSCc1ccccc1)c1ccccc1Cl	ZINC000016942613	210199297	/nfs/dbraw/zinc/19/92/97/210199297.db2.gz	OWCXOARYKZIWND-OZHVRZOASA-N	1	0	392.952	3.965	40	30		GHEBRO
C=CCn1cc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c2ccccc21	ZINC000012146022	209164642	/nfs/dbraw/zinc/16/46/42/209164642.db2.gz	MEWAPLMLYIAYPJ-UHFFFAOYSA-N	1	0	387.483	3.942	40	30		GHEBRO
C[NH+]1CCC(N=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1	ZINC000006712455	523749171	/nfs/dbraw/zinc/74/91/71/523749171.db2.gz	JRHODJBAZOWNIH-UHFFFAOYSA-N	1	0	388.479	3.852	40	30		GHEBRO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1	ZINC000022078440	524054850	/nfs/dbraw/zinc/05/48/50/524054850.db2.gz	UPBLKTOHFOWGML-LJQANCHMSA-N	1	0	398.890	3.870	40	30		GHEBRO
Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294616	570266053	/nfs/dbraw/zinc/26/60/53/570266053.db2.gz	SHXGQWKGUQUFAS-GOSISDBHSA-N	1	0	376.489	3.616	40	30		GHEBRO
C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1OC	ZINC000022076662	209176043	/nfs/dbraw/zinc/17/60/43/209176043.db2.gz	CTRSVYBCCFVISJ-KRWDZBQOSA-N	1	0	392.293	3.846	40	30		GHEBRO
CCCCCCCCSC[C@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000002090617	520045153	/nfs/dbraw/zinc/04/51/53/520045153.db2.gz	XVCNYYCPAKHFJJ-HSALFYBXSA-N	1	0	392.609	3.722	40	30		GHEBRO
C=CCc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216945614	209182249	/nfs/dbraw/zinc/18/22/49/209182249.db2.gz	OFWIYYIHBHJYIT-UHFFFAOYSA-N	1	0	394.515	3.827	40	30		GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccco1	ZINC000024672144	528404120	/nfs/dbraw/zinc/40/41/20/528404120.db2.gz	VEILBEIYWGVRQW-LJQANCHMSA-N	1	0	376.497	3.856	40	30		GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccn1	ZINC000024672185	570404260	/nfs/dbraw/zinc/40/42/60/570404260.db2.gz	ZTIWGGYDAQCHDO-HXUWFJFHSA-N	1	0	387.524	3.658	40	30		GHEBRO
Cc1cncc(C[NH+]2CCC(c3csc(Nc4ccc(C#N)nc4)n3)CC2)c1	ZINC000585295196	570717705	/nfs/dbraw/zinc/71/77/05/570717705.db2.gz	PMHHNZZNRIAFBN-UHFFFAOYSA-N	1	0	390.516	3.658	40	30		GHEBRO
Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccco3)c(=O)[nH]c12	ZINC000008685787	570537394	/nfs/dbraw/zinc/53/73/94/570537394.db2.gz	DCHHLPCXVHVGIN-UHFFFAOYSA-N	1	0	398.532	3.691	40	30		GHEBRO
C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073728	570615202	/nfs/dbraw/zinc/61/52/02/570615202.db2.gz	SSCYZNWHTIRQSX-KSMPXNHGSA-N	1	0	387.520	3.717	40	30		GHEBRO
Cc1ccc(Cn2c(C#N)cc(N)c2N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000225872117	231036480	/nfs/dbraw/zinc/03/64/80/231036480.db2.gz	ILILNMSJSOMRPA-UHFFFAOYSA-N	1	0	385.515	3.621	40	30		GHEBRO
Nc1c(Br)cc(Br)cc1/C=[NH+]/[C@H]1CC[C@H](O)CC1	ZINC000100070287	527425341	/nfs/dbraw/zinc/42/53/41/527425341.db2.gz	PACIGGABLPTEDO-CZBPFNMNSA-N	1	0	376.092	3.516	40	30	in-vitro	GHEBRO
Cc1ccc(C[NH+]2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)cn1	ZINC000585293791	570717770	/nfs/dbraw/zinc/71/77/70/570717770.db2.gz	AIWZNKXVISESET-UHFFFAOYSA-N	1	0	399.502	3.878	40	30		GHEBRO
C=CCN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O	ZINC000019015354	518865327	/nfs/dbraw/zinc/86/53/27/518865327.db2.gz	ZELIYZMTTAWODO-HSZRJFAPSA-N	1	0	375.516	3.648	40	30		GHEBRO
C#CCOc1ccc(Cl)cc1C(=S)N1CCN(Cc2ccccc2)CC1	ZINC000006157388	834361867	/nfs/dbraw/zinc/36/18/67/834361867.db2.gz	ZQNPZXYJLSTHTK-UHFFFAOYSA-N	1	0	384.932	3.845	40	30		GHEBRO
Cc1cccc(Cn2c(C#N)cc(N)c2N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000225872095	231036141	/nfs/dbraw/zinc/03/61/41/231036141.db2.gz	CYXLBDJHZVCZQY-UHFFFAOYSA-N	1	0	385.515	3.621	40	30		GHEBRO
N#Cc1ccc(Nc2cnc([C@H]3CCC[N@@H+]3Cc3cccc4[nH]ccc43)cn2)cn1	ZINC000585294578	570718296	/nfs/dbraw/zinc/71/82/96/570718296.db2.gz	SANQCDMISUKVQX-JOCHJYFZSA-N	1	0	395.470	3.727	40	30		GHEBRO
N#Cc1ccnc(Nc2nc(C3CC[NH+](Cc4ccncc4)CC3)cs2)c1	ZINC000585294442	570718635	/nfs/dbraw/zinc/71/86/35/570718635.db2.gz	FPEMXOKDFAPHAF-UHFFFAOYSA-N	1	0	376.489	3.928	40	30		GHEBRO
C[C@@H]1C[C@H](OC[C@@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000026781468	525456694	/nfs/dbraw/zinc/45/66/94/525456694.db2.gz	FEACBXQMCWENHN-QYZOEREBSA-N	1	0	377.598	3.733	40	30		GHEBRO
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2C[N+](=O)c2ccccc2)cc1	ZINC000255187208	534883298	/nfs/dbraw/zinc/88/32/98/534883298.db2.gz	BWQLXAABUWXVAX-ZHZULCJRSA-N	1	0	398.396	3.623	40	30		GHEBRO
C=CCOc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000225743977	526920926	/nfs/dbraw/zinc/92/09/26/526920926.db2.gz	FHIFSPXSSAZBKW-UHFFFAOYSA-N	1	0	381.545	3.986	40	30		GHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC	ZINC000012345266	570236621	/nfs/dbraw/zinc/23/66/21/570236621.db2.gz	HVKCUMZDIMUDDH-SVGJNIJCSA-N	1	0	395.474	3.861	40	30		GHEBRO
C/C(=N\OC[C@@H](O)C[NH2+]CCSCc1ccccc1)c1ccccc1Cl	ZINC000017142928	221379931	/nfs/dbraw/zinc/37/99/31/221379931.db2.gz	OWCXOARYKZIWND-RPNTZMPASA-N	1	0	392.952	3.965	40	30		GHEBRO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000039752806	526660926	/nfs/dbraw/zinc/66/09/26/526660926.db2.gz	BTFYXDTYDYQSIE-UHFFFAOYSA-N	1	0	395.478	3.592	40	30		GHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)s1	ZINC000223277356	570242247	/nfs/dbraw/zinc/24/22/47/570242247.db2.gz	HDGBZLNJIPOQIC-UHFFFAOYSA-N	1	0	388.562	3.975	40	30		GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccco1	ZINC000024672137	570403841	/nfs/dbraw/zinc/40/38/41/570403841.db2.gz	VEILBEIYWGVRQW-IBGZPJMESA-N	1	0	376.497	3.856	40	30		GHEBRO
C[C@H]1C(=NO)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000230322893	570963531	/nfs/dbraw/zinc/96/35/31/570963531.db2.gz	XIEVXBGRBVCJHK-ALICBKBLSA-N	1	0	384.392	3.991	40	30		GHEBRO
N#Cc1cccc(C[N@@H+]2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)c1	ZINC000306142447	897967385	/nfs/dbraw/zinc/96/73/85/897967385.db2.gz	WZLRZRWTRXWEHQ-FGZHOGPDSA-N	1	0	381.483	3.732	40	30		GHEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccnc1	ZINC000024672165	570404265	/nfs/dbraw/zinc/40/42/65/570404265.db2.gz	XYELHIOIOITMQJ-FQEVSTJZSA-N	1	0	387.524	3.658	40	30		GHEBRO
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(C[N+](=O)c3ccccc3)cc2)cc1	ZINC000255190429	857574157	/nfs/dbraw/zinc/57/41/57/857574157.db2.gz	XEBNGCVHYGAEQA-ZHZULCJRSA-N	1	0	398.396	3.623	40	30		GHEBRO
C=CCc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1O	ZINC000019016136	212104497	/nfs/dbraw/zinc/10/44/97/212104497.db2.gz	GSMLUUQUTSQDJF-GHTZIAJQSA-N	1	0	376.504	3.773	40	30		GHEBRO
C[C@@H]1C[C@@H](OC[C@@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000026781464	525285297	/nfs/dbraw/zinc/28/52/97/525285297.db2.gz	FEACBXQMCWENHN-QRVBRYPASA-N	1	0	377.598	3.733	40	30		GHEBRO
COc1cc(OC)c(C=NNc2cc(C)[nH+]c3cc4c(cc23)OCO4)c(OC)c1	ZINC000017127085	522788132	/nfs/dbraw/zinc/78/81/32/522788132.db2.gz	ZVEXHICWHZJRRA-LSHDLFTRSA-N	1	0	395.415	3.744	40	30		GHEBRO
C=CCN1CC[C@]2(C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2nccs2)C1=O	ZINC000306140864	570311758	/nfs/dbraw/zinc/31/17/58/570311758.db2.gz	VFUDTYFMEWMEFP-SIKLNZKXSA-N	1	0	381.545	3.764	40	30		GHEBRO
O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)cc1	ZINC000004697146	570636132	/nfs/dbraw/zinc/63/61/32/570636132.db2.gz	HVAYLKLIEKYMSH-UHFFFAOYSA-O	1	0	396.264	3.872	40	30		GHEBRO
O=C(CC[NH+]1CCCC1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1	ZINC000019376250	526482036	/nfs/dbraw/zinc/48/20/36/526482036.db2.gz	KTWNROACPYCJLD-UHFFFAOYSA-N	1	0	375.516	3.891	40	30		GHEBRO
C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c1	ZINC000012329033	570236730	/nfs/dbraw/zinc/23/67/30/570236730.db2.gz	XSUCPPCXDCXLES-SVGJNIJCSA-N	1	0	377.484	3.722	40	30		GHEBRO
C=C(C)Cn1nc(C)c(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c1C	ZINC000012344656	570237165	/nfs/dbraw/zinc/23/71/65/570237165.db2.gz	KQUHUELFHGZREE-UHFFFAOYSA-N	1	0	398.526	3.843	40	30		GHEBRO
Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)c1	ZINC000585295092	570718683	/nfs/dbraw/zinc/71/86/83/570718683.db2.gz	ZUCSLWHFTUQSPD-GOSISDBHSA-N	1	0	376.489	3.616	40	30		GHEBRO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1	ZINC000019129351	212103893	/nfs/dbraw/zinc/10/38/93/212103893.db2.gz	IHIFZMILNNWFKJ-KRWDZBQOSA-N	1	0	377.492	3.564	40	30		GHEBRO
[NH2+]=C(NCCC(c1ccccc1)c1ccccc1)Nc1ncccc1[N+](=O)[O-]	ZINC000225241753	231032947	/nfs/dbraw/zinc/03/29/47/231032947.db2.gz	YUGCAJGQGUDOLK-UHFFFAOYSA-N	1	0	375.432	3.939	40	30		GHEBRO
C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CC(N)=O	ZINC000003023652	136193489	/nfs/dbraw/zinc/19/34/89/136193489.db2.gz	MXDJHJIADZLOEG-UHFFFAOYSA-O	1	0	376.933	3.895	40	30		GHEBRO
C=CCn1ncc(C[N@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1C	ZINC000072396700	519291367	/nfs/dbraw/zinc/29/13/67/519291367.db2.gz	RSWGDSNUEBGXPL-OAHLLOKOSA-N	1	0	384.509	3.572	40	30		GHEBRO
O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1cccc(F)c1)CCC2	ZINC000035288772	570451423	/nfs/dbraw/zinc/45/14/23/570451423.db2.gz	VWJMHNLENXAYST-UHFFFAOYSA-O	1	0	381.452	3.533	40	30		GHEBRO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)s1	ZINC000222814135	570946157	/nfs/dbraw/zinc/94/61/57/570946157.db2.gz	KSHWGBKIQLBEPN-UHFFFAOYSA-N	1	0	388.562	3.975	40	30		GHEBRO
Oc1ccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(O)c1	ZINC000019682375	571028298	/nfs/dbraw/zinc/02/82/98/571028298.db2.gz	CDGPPGCEYYZDBQ-XYGWBWBKSA-N	1	0	385.467	3.819	40	30		GHEBRO
Cc1cccc(CN2CCO[C@]3(C2)CCC[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134392	897959818	/nfs/dbraw/zinc/95/98/18/897959818.db2.gz	NLRGTKGSVUSQQT-XMMPIXPASA-N	1	0	390.531	3.519	40	30		GHEBRO
COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccc(C#N)c4)C3)CC2)c1	ZINC000096046647	222374740	/nfs/dbraw/zinc/37/47/40/222374740.db2.gz	ZNSZPEHRMZPPHY-UHFFFAOYSA-N	1	0	389.499	3.695	40	30		GHEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(F)cc3)n2)cc1	ZINC000020503056	525662653	/nfs/dbraw/zinc/66/26/53/525662653.db2.gz	MCCKYGGPJDBUOJ-UHFFFAOYSA-N	1	0	383.452	3.568	40	30		GHEBRO
C/C(=N/OC[C@@H](O)C[NH2+]CCSCc1ccccc1)c1ccccc1Cl	ZINC000005566164	570446521	/nfs/dbraw/zinc/44/65/21/570446521.db2.gz	OWCXOARYKZIWND-PAJXCOJRSA-N	1	0	392.952	3.965	40	30		GHEBRO
N#Cc1ccc(Nc2cnc([C@@H]3CCC[N@@H+]3Cc3cccc4[nH]ccc43)cn2)cn1	ZINC000585294579	570718285	/nfs/dbraw/zinc/71/82/85/570718285.db2.gz	SANQCDMISUKVQX-QFIPXVFZSA-N	1	0	395.470	3.727	40	30		GHEBRO
Cc1cccnc1C[NH+]1CCC(c2csc(Nc3ccc(C#N)nc3)n2)CC1	ZINC000585295281	570275259	/nfs/dbraw/zinc/27/52/59/570275259.db2.gz	SQNBNOMNYUGWDK-UHFFFAOYSA-N	1	0	390.516	3.658	40	30		GHEBRO
N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccncc1)CC2	ZINC000585100316	570710878	/nfs/dbraw/zinc/71/08/78/570710878.db2.gz	JZDRDKSSDACQHU-HSZRJFAPSA-N	1	0	392.478	3.753	40	30		GHEBRO
CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2	ZINC000006951672	521533753	/nfs/dbraw/zinc/53/37/53/521533753.db2.gz	KYASIIUODCLTBA-UHFFFAOYSA-O	1	0	376.480	3.735	40	30		GHEBRO
Cc1ccccc1Cn1c(C#N)cc(N)c1N1CC[NH+](Cc2ccccc2)CC1	ZINC000225872071	231036502	/nfs/dbraw/zinc/03/65/02/231036502.db2.gz	HAALFHSZODVHQK-UHFFFAOYSA-N	1	0	385.515	3.621	40	30		GHEBRO
COc1ccc(C/[NH+]=C\c2cc(Br)c(N3CCOCC3)o2)cc1	ZINC000408851672	533422145	/nfs/dbraw/zinc/42/21/45/533422145.db2.gz	MDSRZGWQWKVAEV-UNOMPAQXSA-N	1	0	379.254	3.506	40	30		GHEBRO
CC(C)(O)C#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1	ZINC000012329075	570236525	/nfs/dbraw/zinc/23/65/25/570236525.db2.gz	OEMIUYBQDQEKRL-HCGNOCCLSA-N	1	0	393.502	3.963	40	30		GHEBRO
C=CCOc1c(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cccc1OC	ZINC000012344870	570236565	/nfs/dbraw/zinc/23/65/65/570236565.db2.gz	UZTGKXXMTMGVQZ-UHFFFAOYSA-N	1	0	383.488	3.752	40	30		GHEBRO
C[C@@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(c3ccccn3)CC2)CC(C)(C)C1	ZINC000035031554	525458064	/nfs/dbraw/zinc/45/80/64/525458064.db2.gz	FEACBXQMCWENHN-CEXWTWQISA-N	1	0	377.598	3.733	40	30		GHEBRO
C#CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cc1	ZINC000012345096	570237105	/nfs/dbraw/zinc/23/71/05/570237105.db2.gz	QCEHALVFDBVSEW-SVGJNIJCSA-N	1	0	377.484	3.722	40	30		GHEBRO