smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C(=O)OC[C@@H](O)C[N+](C)(C)C	ZINC000001709571	342710373	/nfs/dbraw/zinc/71/03/73/342710373.db2.gz	RUYKUXOULSOEPZ-VIFPVBQESA-N	1	0	202.274	0.173	40	30		BCEBRO
CC(=O)C(=NNC(N)=[NH2+])c1ccccc1	ZINC000004758819	342751774	/nfs/dbraw/zinc/75/17/74/342751774.db2.gz	LDMQNFAUDAKNIB-UKTHLTGXSA-N	1	0	204.233	0.463	40	30	in-vitro	BCEBRO
CNC(NC[C@H]1CN2CCCC[C@@H]2CO1)=[NH+]C	ZINC000090064811	187273875	/nfs/dbraw/zinc/27/38/75/187273875.db2.gz	LKHXPIBXTGKROG-MNOVXSKESA-N	1	0	240.351	0.035	40	30		BCEBRO
C#CCn1cc(CC[NH3+])c(-c2cnccn2)n1	ZINC000409440097	343854407	/nfs/dbraw/zinc/85/44/07/343854407.db2.gz	RSZHYCWAMSQYAO-UHFFFAOYSA-N	1	0	227.271	0.475	40	30		BCEBRO
C#CCn1nc2c(c1C(N)=[NH2+])CCCC2	ZINC000409441197	343855701	/nfs/dbraw/zinc/85/57/01/343855701.db2.gz	XJAUECHPOPDVTG-UHFFFAOYSA-N	1	0	202.261	0.679	40	30		BCEBRO
N#C[C@H](Cc1ccccc1)N1CC([NH3+])C1	ZINC000409439249	343846989	/nfs/dbraw/zinc/84/69/89/343846989.db2.gz	GIJOQRYNUHCYTB-LBPRGKRZSA-N	1	0	201.273	0.764	40	30		BCEBRO
N#C[C@@H](NC1C[NH2+]C1)c1ccc(F)cc1	ZINC000409442338	343857738	/nfs/dbraw/zinc/85/77/38/343857738.db2.gz	UUOYUATVALYPNZ-LLVKDONJSA-N	1	0	205.236	0.952	40	30		BCEBRO
N#C[C@H](NC1C[NH2+]C1)c1ccc(F)cc1	ZINC000409442342	343857850	/nfs/dbraw/zinc/85/78/50/343857850.db2.gz	UUOYUATVALYPNZ-NSHDSACASA-N	1	0	205.236	0.952	40	30		BCEBRO
N#C[C@H](c1ccncc1)N1CC(C[NH3+])C1	ZINC000409441602	343860115	/nfs/dbraw/zinc/86/01/15/343860115.db2.gz	PZNYJMUXIJSOCV-LLVKDONJSA-N	1	0	202.261	0.537	40	30		BCEBRO
[NH3+]Cc1ccnc(C#CCn2cccn2)c1	ZINC000585145126	344179808	/nfs/dbraw/zinc/17/98/08/344179808.db2.gz	DKJXZWPYPNIDMB-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
C=C(C)CN(CC(=C)C)c1nc(N)[nH+]c(N)n1	ZINC000001673376	187364317	/nfs/dbraw/zinc/36/43/17/187364317.db2.gz	QTHXQXOABBSLKO-UHFFFAOYSA-N	1	0	234.307	0.995	40	30		BCEBRO
N#Cc1nccnc1OC[C@H]1CCC[NH2+]C1	ZINC000054378967	181174811	/nfs/dbraw/zinc/17/48/11/181174811.db2.gz	CXKXGHGTGCYKSL-VIFPVBQESA-N	1	0	218.260	0.727	40	30		BCEBRO
C#CC[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000006854796	355366909	/nfs/dbraw/zinc/36/69/09/355366909.db2.gz	CPSHMUBFFWGLJS-UHFFFAOYSA-N	1	0	238.312	0.099	40	30		BCEBRO
NC(=[NH2+])NN=Cc1nccc2ccccc21	ZINC000017419423	181322986	/nfs/dbraw/zinc/32/29/86/181322986.db2.gz	SIJZXPSAFDTFAS-CHHVJCJISA-N	1	0	213.244	0.842	40	30		BCEBRO
C[N+]1(CCCNC2=CC(=O)C=CC2=O)CCCC1	ZINC000001703470	383925465	/nfs/dbraw/zinc/92/54/65/383925465.db2.gz	VGDHIRSNORWGHG-UHFFFAOYSA-O	1	0	249.334	0.798	40	30		BCEBRO
Cc1ccc(OCCN=NC(N)=[NH2+])cc1C	ZINC000006488171	384156682	/nfs/dbraw/zinc/15/66/82/384156682.db2.gz	CAFPVWIPCIIPAV-LHHJGKSTSA-N	1	0	220.276	0.941	40	30		BCEBRO
C=CCOCc1nn(C)c2c1CC[NH2+]C2	ZINC000096259911	384447048	/nfs/dbraw/zinc/44/70/48/384447048.db2.gz	HGGUHFDUWARIDI-UHFFFAOYSA-N	1	0	207.277	0.768	40	30		BCEBRO
CN(C)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000242548696	388399627	/nfs/dbraw/zinc/39/96/27/388399627.db2.gz	LTOJWAYLLJYTGZ-ZJUUUORDSA-N	1	0	212.293	0.185	40	30		BCEBRO
CN(C)c1c(N)cc(C#N)n1Cc1nccn1C	ZINC000225863508	388848228	/nfs/dbraw/zinc/84/82/28/388848228.db2.gz	OGJRFWKQXFJEQM-UHFFFAOYSA-N	1	0	244.302	0.790	40	30		BCEBRO
N#Cc1ccnc(N2CCC[C@@H]([NH3+])C2)c1	ZINC000040434863	132347643	/nfs/dbraw/zinc/34/76/43/132347643.db2.gz	RYABWHMINFFDRT-SNVBAGLBSA-N	1	0	202.261	0.881	40	30		BCEBRO
CCC(=NNC(N)=[NH2+])c1ccc(O)cc1	ZINC000004917741	167819886	/nfs/dbraw/zinc/81/98/86/167819886.db2.gz	CHRUDQIWDSOYRN-UKTHLTGXSA-N	1	0	206.249	0.989	40	30		BCEBRO
CCOC(=O)C[N+]1(C)CCC(O)CC1	ZINC000001763706	170234220	/nfs/dbraw/zinc/23/42/20/170234220.db2.gz	KQFUMYDLJKDZPB-UHFFFAOYSA-N	1	0	202.274	0.151	40	30		BCEBRO
CN(/N=C\c1ccccn1)C1=[NH+]CCN1	ZINC000017253849	172292550	/nfs/dbraw/zinc/29/25/50/172292550.db2.gz	XLZDQPPQHAVPIQ-ZSOIEALJSA-N	1	0	203.249	0.307	40	30		BCEBRO
CN(C)C=C(C=[N+](C)C)c1n[nH]cc1N	ZINC000059299196	172349815	/nfs/dbraw/zinc/34/98/15/172349815.db2.gz	SHRFPMZFIYAIAD-UHFFFAOYSA-N	1	0	208.289	0.237	40	30		BCEBRO
COCCNC(=[NH2+])Nc1ccc([N+](=O)[O-])cn1	ZINC000225235412	174084448	/nfs/dbraw/zinc/08/44/48/174084448.db2.gz	UZARIEDEMVMDBM-UHFFFAOYSA-N	1	0	239.235	0.363	40	30		BCEBRO
COc1cc(C=NNC2=[NH+]CCN2)ccc1O	ZINC000003592916	342734925	/nfs/dbraw/zinc/73/49/25/342734925.db2.gz	SZFBDODDCDWPPU-VGOFMYFVSA-N	1	0	234.259	0.284	40	30		BCEBRO
Cc1cc(C#N)cnc1N1CC[NH2+]CC1	ZINC000072222527	259320803	/nfs/dbraw/zinc/32/08/03/259320803.db2.gz	NWDBDSSTFYJNMC-UHFFFAOYSA-N	1	0	202.261	0.671	40	30		BCEBRO
C[C@H](O)C[NH2+]CCNCC#Cc1ccccc1	ZINC000022075929	136277814	/nfs/dbraw/zinc/27/78/14/136277814.db2.gz	KNOOBVTYKNXGFS-ZDUSSCGKSA-N	1	0	232.327	0.598	40	30		BCEBRO
N#CC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1	ZINC000409426153	343821350	/nfs/dbraw/zinc/82/13/50/343821350.db2.gz	DKYMJQJSCLFYSU-SNVBAGLBSA-N	1	0	207.277	0.358	40	30		BCEBRO
C#CCn1cc(C(N)=[NH2+])c(C(F)(F)F)n1	ZINC000409438959	343845919	/nfs/dbraw/zinc/84/59/19/343845919.db2.gz	NFYFNHRJUVZDHU-UHFFFAOYSA-N	1	0	216.166	0.819	40	30		BCEBRO
N#CCC(=O)N1CCC([NH+]2CCCC2)CC1	ZINC000082275262	345500673	/nfs/dbraw/zinc/50/06/73/345500673.db2.gz	LDOJESDMLDPFFY-UHFFFAOYSA-N	1	0	221.304	0.987	40	30		BCEBRO
C=CCNc1cc(N2CC[NH2+]CC2)ncn1	ZINC000258846836	345786023	/nfs/dbraw/zinc/78/60/23/345786023.db2.gz	BCXNWMOMSWUCKG-UHFFFAOYSA-N	1	0	219.292	0.484	40	30		BCEBRO
C=CCn1c(=O)ccc2c1CC[C@@H]([NH3+])C2	ZINC000096260656	191056075	/nfs/dbraw/zinc/05/60/75/191056075.db2.gz	KQNSAFCGRQPIQU-SNVBAGLBSA-N	1	0	204.273	0.850	40	30		BCEBRO
N#Cc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1	ZINC000050242282	350192308	/nfs/dbraw/zinc/19/23/08/350192308.db2.gz	QPFJWQYPUISTDR-GFCCVEGCSA-N	1	0	229.283	0.774	40	30		BCEBRO
N#CC1(C(=O)N[C@H]2COC3(C2)CC[NH2+]CC3)CC1	ZINC000063528164	181028916	/nfs/dbraw/zinc/02/89/16/181028916.db2.gz	YLGIXQBZAXBRRN-SNVBAGLBSA-N	1	0	249.314	0.317	40	30		BCEBRO
CCOc1ccccc1C=NNC(N)=[NH2+]	ZINC000005598919	363397782	/nfs/dbraw/zinc/39/77/82/363397782.db2.gz	SAXGMFNHXQOZTQ-NTUHNPAUSA-N	1	0	206.249	0.693	40	30		BCEBRO
NC(=[NH2+])NN=C1c2ccccc2SC1=O	ZINC000006345087	181323394	/nfs/dbraw/zinc/32/33/94/181323394.db2.gz	VTSNHCMYDDGHQA-GHXNOFRVSA-N	1	0	220.257	0.296	40	30		BCEBRO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H]2CO2)C1	ZINC000016028197	183002847	/nfs/dbraw/zinc/00/28/47/183002847.db2.gz	JVHGRPPYKMTKRC-QJPTWQEYSA-N	1	0	246.310	0.666	40	30		BCEBRO
Cc1nc(NC(=[NH2+])N2CCCCC2)[n-]c(=O)c1C	ZINC000019819765	384542150	/nfs/dbraw/zinc/54/21/50/384542150.db2.gz	HIVJQGOOWFJURZ-UHFFFAOYSA-N	1	0	249.318	0.819	40	30		BCEBRO
C=CCOC[C@H]1[NH2+]CCc2ncn(C)c21	ZINC000096260284	386598552	/nfs/dbraw/zinc/59/85/52/386598552.db2.gz	HSISCAWMPWIHEX-SNVBAGLBSA-N	1	0	207.277	0.810	40	30		BCEBRO
CN(C)C(=O)[C@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000242548695	388399583	/nfs/dbraw/zinc/39/95/83/388399583.db2.gz	LTOJWAYLLJYTGZ-UWVGGRQHSA-N	1	0	212.293	0.185	40	30		BCEBRO
CN(Cc1cccc(C#N)c1)C(=O)C[NH3+]	ZINC000037807934	388574776	/nfs/dbraw/zinc/57/47/76/388574776.db2.gz	QXAUIQWWHDAWON-UHFFFAOYSA-N	1	0	203.245	0.475	40	30		BCEBRO
C=CCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O	ZINC000013611843	132243621	/nfs/dbraw/zinc/24/36/21/132243621.db2.gz	HUOGCAWMJNXGMW-UHFFFAOYSA-N	1	0	248.330	0.559	40	30		BCEBRO
N#Cc1ccnc(N2CCC([NH3+])CC2)c1	ZINC000036754912	132342567	/nfs/dbraw/zinc/34/25/67/132342567.db2.gz	WXHZIGBAVDQSIU-UHFFFAOYSA-N	1	0	202.261	0.881	40	30		BCEBRO
N#Cc1nccnc1N1CCC([NH3+])CC1	ZINC000054378523	132364612	/nfs/dbraw/zinc/36/46/12/132364612.db2.gz	DJDQUHBVVILPQF-UHFFFAOYSA-N	1	0	203.249	0.276	40	30		BCEBRO
CN(C)C(Cn1nnc2ccccc21)=[N+](C)C	ZINC000079670512	172396375	/nfs/dbraw/zinc/39/63/75/172396375.db2.gz	MNHPWOOYHZPLIL-UHFFFAOYSA-N	1	0	232.311	0.664	40	30		BCEBRO
CCN(CC)C(=O)[C@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000242723212	491121735	/nfs/dbraw/zinc/12/17/35/491121735.db2.gz	YGUBCZRDZZKDSF-RYUDHWBXSA-N	1	0	240.347	0.966	40	30		BCEBRO
COC(=O)C[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2	ZINC000017003614	342919094	/nfs/dbraw/zinc/91/90/94/342919094.db2.gz	KRDYSBSURXYWKN-GJYTXDDASA-N	1	0	214.285	0.292	40	30		BCEBRO
Cc1cc(C)nc(NC(=[NH2+])NC[C@@H]2CCCO2)n1	ZINC000013610677	346960585	/nfs/dbraw/zinc/96/05/85/346960585.db2.gz	XYBKVXDRNYJIDD-JTQLQIEISA-N	1	0	249.318	0.808	40	30		BCEBRO
N#CC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1	ZINC000409428309	343803260	/nfs/dbraw/zinc/80/32/60/343803260.db2.gz	MLENOWFOAKPWGN-LLVKDONJSA-N	1	0	221.304	0.891	40	30		BCEBRO
C#CCn1cc(C(N)=[NH2+])c(-c2cnccn2)n1	ZINC000409440593	343853100	/nfs/dbraw/zinc/85/31/00/343853100.db2.gz	UPMGRXYCVBKVQW-UHFFFAOYSA-N	1	0	226.243	0.257	40	30		BCEBRO
C#CCn1cc(C(N)=[NH2+])c(-c2ccncc2)n1	ZINC000409437535	343843868	/nfs/dbraw/zinc/84/38/68/343843868.db2.gz	HYCWHWOMRUQCCX-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
C#CCSc1ncc2c(n1)CC[NH2+]C2	ZINC000306962722	343894787	/nfs/dbraw/zinc/89/47/87/343894787.db2.gz	GKYUXBMOLDWEAA-UHFFFAOYSA-N	1	0	205.286	0.848	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C2CCOCC2)c1	ZINC000585142741	344176347	/nfs/dbraw/zinc/17/63/47/344176347.db2.gz	AKRVWBYMZGTBAE-UHFFFAOYSA-N	1	0	205.261	0.545	40	30		BCEBRO
N/C(CN1CCC(C(F)F)CC1)=N\O	ZINC000307031004	353050921	/nfs/dbraw/zinc/05/09/21/353050921.db2.gz	OIEWJFGWQTWOEH-UHFFFAOYSA-N	1	0	207.224	0.710	40	30		BCEBRO
C=C(C)CNC(=S)N1CCN(C)CC1	ZINC000006158569	188051529	/nfs/dbraw/zinc/05/15/29/188051529.db2.gz	HGVOAKGURQKUSW-UHFFFAOYSA-N	1	0	213.350	0.684	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])cc1	ZINC000031342766	181322887	/nfs/dbraw/zinc/32/28/87/181322887.db2.gz	YQHGSFFPDDIVIK-WZUFQYTHSA-N	1	0	207.193	0.202	40	30		BCEBRO
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)COC	ZINC000008300765	372545004	/nfs/dbraw/zinc/54/50/04/372545004.db2.gz	XRKLDXBWZOEAOM-SDDRHHMPSA-N	1	0	236.315	0.093	40	30	biogenic,in-vitro	BCEBRO
NC(=[NH2+])N=NCCC(=O)c1ccccc1	ZINC000408722954	384194578	/nfs/dbraw/zinc/19/45/78/384194578.db2.gz	JKCRPSUPEJPTLX-NTUHNPAUSA-N	1	0	204.233	0.728	40	30		BCEBRO
COc1cc(C=NNC2=[NH+]CCCN2)ccc1O	ZINC000104313174	384822140	/nfs/dbraw/zinc/82/21/40/384822140.db2.gz	COCGAXSJUULIDQ-NVNXTCNLSA-N	1	0	248.286	0.674	40	30		BCEBRO
C=CC[NH2+]C[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@H]21	ZINC000005024050	386797987	/nfs/dbraw/zinc/79/79/87/386797987.db2.gz	LGBOXHJCVMWFNE-MMWGEVLESA-N	1	0	243.303	0.653	40	30		BCEBRO
O=C([C@@H]1CCC[N@H+](C[C@H]2CO2)C1)N1CCCC1	ZINC000242722834	388400712	/nfs/dbraw/zinc/40/07/12/388400712.db2.gz	XWPLFLQCOWOYEH-NEPJUHHUSA-N	1	0	238.331	0.720	40	30		BCEBRO
C=CC[N@H+]1CC[C@H]2O[C@H](C(=O)N(C)C)CC[C@H]21	ZINC000096065316	166358397	/nfs/dbraw/zinc/35/83/97/166358397.db2.gz	BCLKIZCLMMHHMP-UTUOFQBUSA-N	1	0	238.331	0.883	40	30		BCEBRO
C=CCN1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1=O	ZINC000096244997	166362014	/nfs/dbraw/zinc/36/20/14/166362014.db2.gz	YETWJEZYXSQDBT-RYUDHWBXSA-N	1	0	220.316	0.973	40	30		BCEBRO
COCCNC(=[NH2+])Nc1ncccc1[N+](=O)[O-]	ZINC000225242100	174083575	/nfs/dbraw/zinc/08/35/75/174083575.db2.gz	ZKYFKRYWFIAVJI-UHFFFAOYSA-N	1	0	239.235	0.363	40	30		BCEBRO
COc1ccc(C=NNC(N)=[NH2+])cc1OC	ZINC000033342882	175049849	/nfs/dbraw/zinc/04/98/49/175049849.db2.gz	DXGFSVGRWOIULD-MLPAPPSSSA-N	1	0	222.248	0.521	40	30		BCEBRO
COc1cccc(C=NNC(N)=[NH2+])c1OC	ZINC000031647677	175241777	/nfs/dbraw/zinc/24/17/77/175241777.db2.gz	MBBVCAXPOIMXDG-MLPAPPSSSA-N	1	0	222.248	0.521	40	30		BCEBRO
Cc1cc(N2CC[NH2+]CC2)ncc1C#N	ZINC000072223569	259321473	/nfs/dbraw/zinc/32/14/73/259321473.db2.gz	OAOAHFDAFKFCIL-UHFFFAOYSA-N	1	0	202.261	0.671	40	30		BCEBRO
Nc1ccccc1N[NH2+]c1cc(=O)[nH][nH]1	ZINC000016450209	342911043	/nfs/dbraw/zinc/91/10/43/342911043.db2.gz	LMEAKQSJKSSTOA-UHFFFAOYSA-N	1	0	205.221	0.019	40	30		BCEBRO
C=CCNc1cc(OCC[NH3+])nc(C)n1	ZINC000409429249	343805252	/nfs/dbraw/zinc/80/52/52/343805252.db2.gz	HSKGAPWTBXXKBN-UHFFFAOYSA-N	1	0	208.265	0.720	40	30		BCEBRO
C#CCn1ccn2nc(C3CC3)c(C(N)=[NH2+])c12	ZINC000409437597	343841324	/nfs/dbraw/zinc/84/13/24/343841324.db2.gz	HOAGGDFFMVKUCK-UHFFFAOYSA-N	1	0	227.271	0.930	40	30		BCEBRO
C#CCn1nc2c(c1C[NH3+])CSCC2	ZINC000409439171	343846446	/nfs/dbraw/zinc/84/64/46/343846446.db2.gz	OCEHRBKRLIZZEA-UHFFFAOYSA-N	1	0	207.302	0.764	40	30		BCEBRO
N#C[C@@H](Cc1ccccc1)N1CC([NH3+])C1	ZINC000409439247	343846830	/nfs/dbraw/zinc/84/68/30/343846830.db2.gz	GIJOQRYNUHCYTB-GFCCVEGCSA-N	1	0	201.273	0.764	40	30		BCEBRO
[NH3+]CC#Cc1nccc(C(F)(F)F)n1	ZINC000585145014	343880329	/nfs/dbraw/zinc/88/03/29/343880329.db2.gz	SOCJPRSISBRCKO-UHFFFAOYSA-N	1	0	201.151	0.806	40	30		BCEBRO
[NH3+]Cc1ncc(C#CCn2cccn2)cn1	ZINC000585145483	343881298	/nfs/dbraw/zinc/88/12/98/343881298.db2.gz	XBQAPORFHZTNOL-UHFFFAOYSA-N	1	0	213.244	0.184	40	30		BCEBRO
C[NH2+]C1CN([C@H](C#N)c2ccncc2)C1	ZINC000409441529	343859627	/nfs/dbraw/zinc/85/96/27/343859627.db2.gz	PHJJLIOKIHDUMI-LLVKDONJSA-N	1	0	202.261	0.550	40	30		BCEBRO
CCN(Cc1ccc(C#N)cc1)C(=O)C[NH3+]	ZINC000079420509	370656939	/nfs/dbraw/zinc/65/69/39/370656939.db2.gz	OKTUHYLPPGLNPK-UHFFFAOYSA-N	1	0	217.272	0.865	40	30		BCEBRO
CCN(Cc1cccc(C#N)c1)C(=O)C[NH3+]	ZINC000079420834	370657189	/nfs/dbraw/zinc/65/71/89/370657189.db2.gz	QFHQZASOKNIUEG-UHFFFAOYSA-N	1	0	217.272	0.865	40	30		BCEBRO
COc1cc(C=NNC(N)=[NH2+])ccc1O	ZINC000005639610	349037423	/nfs/dbraw/zinc/03/74/23/349037423.db2.gz	AUWLLDNHXWTMLF-LFYBBSHMSA-N	1	0	208.221	0.008	40	30		BCEBRO
Cc1cc(O)ccc1C=NNC1=[NH+]CCN1	ZINC000299888284	352549829	/nfs/dbraw/zinc/54/98/29/352549829.db2.gz	DBFDJRMPJGXVPU-UHFFFAOYSA-N	1	0	218.260	0.583	40	30		BCEBRO
N#Cc1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1	ZINC000016083137	356745548	/nfs/dbraw/zinc/74/55/48/356745548.db2.gz	ODYRBQWYNNOGQN-ZDUSSCGKSA-N	1	0	231.299	0.718	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccnc2ccccc12	ZINC000031793890	181322629	/nfs/dbraw/zinc/32/26/29/181322629.db2.gz	JNKWYJCBUQSJBN-CHHVJCJISA-N	1	0	213.244	0.842	40	30		BCEBRO
NC(=[NH2+])Nc1ccc2oc(=O)ccc2c1	ZINC000006524928	181323321	/nfs/dbraw/zinc/32/33/21/181323321.db2.gz	OFZKVNIFUSQLMB-UHFFFAOYSA-N	1	0	203.201	0.698	40	30		BCEBRO
Cc1c(C)[n+]([O-])c2cc(C[N+](C)=O)ccc2[n+]1[O-]	ZINC000104200967	384809531	/nfs/dbraw/zinc/80/95/31/384809531.db2.gz	OFDGAQVXRLOAGJ-NTUHNPAUSA-N	1	0	247.254	0.282	40	30		BCEBRO
CSC(=S)NN=CC(C)=NNC(N)=[NH2+]	ZINC000104191973	384810477	/nfs/dbraw/zinc/81/04/77/384810477.db2.gz	IMGRRXYLKYLXEB-INWPEIIHSA-N	1	0	232.338	0.069	40	30		BCEBRO
C=CCn1c(C#N)cc(N)c1N1CC[NH+](C)CC1	ZINC000225869115	384902546	/nfs/dbraw/zinc/90/25/46/384902546.db2.gz	HNKPPYZRYSMCRT-UHFFFAOYSA-N	1	0	245.330	0.880	40	30		BCEBRO
C=C(Br)CNC(=O)CC[NH3+]	ZINC000096523431	385264494	/nfs/dbraw/zinc/26/44/94/385264494.db2.gz	ODZAUOUEAUPUSH-UHFFFAOYSA-N	1	0	207.071	0.360	40	30		BCEBRO
C=CCOC[C@@H]1[NH2+]CCc2ncn(C)c21	ZINC000096260283	386598730	/nfs/dbraw/zinc/59/87/30/386598730.db2.gz	HSISCAWMPWIHEX-JTQLQIEISA-N	1	0	207.277	0.810	40	30		BCEBRO
C[C@@]12NC(=O)C[N@@+]1(C)CCc1ccccc12	ZINC000247537281	388665875	/nfs/dbraw/zinc/66/58/75/388665875.db2.gz	ANAIJIRDHVVGNS-UKRRQHHQSA-O	1	0	217.292	0.992	40	30		BCEBRO
O=C([C@@H]1CCCC[N@@H+]1C[C@H]1CO1)N1CCCC1	ZINC000252486233	388653404	/nfs/dbraw/zinc/65/34/04/388653404.db2.gz	GYYUVPZHYSIIAV-RYUDHWBXSA-N	1	0	238.331	0.862	40	30		BCEBRO
C[C@@H]1CN(c2ccc(C#N)cn2)CC[NH2+]1	ZINC000052783321	132362442	/nfs/dbraw/zinc/36/24/42/132362442.db2.gz	USAKGOYBWIQOPV-SECBINFHSA-N	1	0	202.261	0.751	40	30		BCEBRO
CCNC(=S)NN=C1CC[NH+](C)CC1	ZINC000056645527	170106562	/nfs/dbraw/zinc/10/65/62/170106562.db2.gz	VNGIQLRDKZPGNT-UHFFFAOYSA-N	1	0	214.338	0.552	40	30		BCEBRO
CCOC(=O)CC(=O)C[n+]1ccccc1	ZINC000002166187	170194093	/nfs/dbraw/zinc/19/40/93/170194093.db2.gz	NUFYSFUOIWBYHW-UHFFFAOYSA-N	1	0	208.237	0.496	40	30		BCEBRO
CNC(=S)NN=C1CC[NH+](C)CC1	ZINC000056635627	173315773	/nfs/dbraw/zinc/31/57/73/173315773.db2.gz	AMOOZQJWRDYUNK-UHFFFAOYSA-N	1	0	200.311	0.162	40	30		BCEBRO
COC(=O)c1cc(N2CC[NH2+]CC2)ccc1C#N	ZINC000169805457	536512570	/nfs/dbraw/zinc/51/25/70/536512570.db2.gz	YCNPPTXFCAGDKY-UHFFFAOYSA-N	1	0	245.282	0.754	40	30		BCEBRO
Cc1cc(/C=N/O)cnc1N1CC[NH2+]CC1	ZINC000072222524	259319979	/nfs/dbraw/zinc/31/99/79/259319979.db2.gz	USGRWHHFDWRBSB-RIYZIHGNSA-N	1	0	220.276	0.608	40	30		BCEBRO
Cc1nc(N2CC[NH+](C)CC2)ccc1/C=N/O	ZINC000072224637	259322047	/nfs/dbraw/zinc/32/20/47/259322047.db2.gz	AJDIUTOZWHPCFY-UKTHLTGXSA-N	1	0	234.303	0.950	40	30		BCEBRO
C=CC[NH2+]C[C@H](O)COCc1ccco1	ZINC000037851954	342986702	/nfs/dbraw/zinc/98/67/02/342986702.db2.gz	XZUCUMOTWUERQF-JTQLQIEISA-N	1	0	211.261	0.933	40	30		BCEBRO
C#CCn1nc2c(c1CC[NH3+])COCC2	ZINC000409439660	343848087	/nfs/dbraw/zinc/84/80/87/343848087.db2.gz	QCGXSWSTESZEBP-UHFFFAOYSA-N	1	0	205.261	0.090	40	30		BCEBRO
C[NH2+]C1CN([C@@H](C#N)c2cccnc2)C1	ZINC000409438056	343849165	/nfs/dbraw/zinc/84/91/65/343849165.db2.gz	BWAPEHNSPMIQQZ-NSHDSACASA-N	1	0	202.261	0.550	40	30		BCEBRO
[NH3+]Cc1ncc(C#CCn2ccnc2)cn1	ZINC000585144966	343880576	/nfs/dbraw/zinc/88/05/76/343880576.db2.gz	BGYBBIDNKFZIBR-UHFFFAOYSA-N	1	0	213.244	0.184	40	30		BCEBRO
N#C[C@@H](c1cccnc1)N1CC(C[NH3+])C1	ZINC000409441839	343861048	/nfs/dbraw/zinc/86/10/48/343861048.db2.gz	ROCGXJAYPPRHGA-NSHDSACASA-N	1	0	202.261	0.537	40	30		BCEBRO
C#CCn1nc(-c2ccccn2)cc1C(N)=[NH2+]	ZINC000409443401	343867299	/nfs/dbraw/zinc/86/72/99/343867299.db2.gz	MESCOUBCTJSIQQ-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
[NH3+]Cc1ccc(C#CCN2CCCC2=O)nc1	ZINC000585145332	344180337	/nfs/dbraw/zinc/18/03/37/344180337.db2.gz	NXZPOLUADJQOPQ-UHFFFAOYSA-N	1	0	229.283	0.514	40	30		BCEBRO
CC(=O)Nc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000031647607	187938288	/nfs/dbraw/zinc/93/82/88/187938288.db2.gz	XQMLIGODZVLSJZ-MLPAPPSSSA-N	1	0	219.248	0.462	40	30		BCEBRO
C/C(=N\NC(N)=S)c1cccc(N)c1	ZINC000005260656	188277330	/nfs/dbraw/zinc/27/73/30/188277330.db2.gz	FJCDJOPKILSQQC-WUXMJOGZSA-N	1	0	208.290	0.826	40	30		BCEBRO
N#Cc1nccnc1O[C@@H]1CCC[NH2+]C1	ZINC000054378964	181175445	/nfs/dbraw/zinc/17/54/45/181175445.db2.gz	ZXQPUTLHXJSNIP-MRVPVSSYSA-N	1	0	204.233	0.479	40	30		BCEBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)NC1CC1	ZINC000225233323	181179681	/nfs/dbraw/zinc/17/96/81/181179681.db2.gz	MFXZHYKKNYQYJC-UHFFFAOYSA-N	1	0	221.220	0.879	40	30		BCEBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])NC1CC1	ZINC000225240689	181180247	/nfs/dbraw/zinc/18/02/47/181180247.db2.gz	LHJLMMRQFQAOFA-UHFFFAOYSA-N	1	0	221.220	0.879	40	30		BCEBRO
NC(=[NH2+])NN=Cc1cc(Cl)ccc1O	ZINC000064585757	181187398	/nfs/dbraw/zinc/18/73/98/181187398.db2.gz	JHAWOOHRWJYHGO-QCDXTXTGSA-N	1	0	212.640	0.863	40	30		BCEBRO
NC(=[NH2+])N=NCC(Cl)(Cl)Cl	ZINC000008622347	181187888	/nfs/dbraw/zinc/18/78/88/181187888.db2.gz	AJJMWEUYKUTSRX-OQYWKCLKSA-N	1	0	203.460	0.825	40	30		BCEBRO
COC[C@@H]1CCC[N@H+](C/C(N)=N/O)C1	ZINC000234726235	357820855	/nfs/dbraw/zinc/82/08/55/357820855.db2.gz	BYKOQDNTKLIEAL-MRVPVSSYSA-N	1	0	201.270	0.091	40	30		BCEBRO
NC(=[NH2+])NN=Cc1c(Cl)nc2n1CCS2	ZINC000031861607	181323209	/nfs/dbraw/zinc/32/32/09/181323209.db2.gz	FJHASOKORXRLTI-JYOAFUTRSA-N	1	0	244.711	0.250	40	30		BCEBRO
O/N=C/c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072225502	259533266	/nfs/dbraw/zinc/53/32/66/259533266.db2.gz	UBNOPNJHTUUTKG-MDWZMJQESA-N	1	0	206.249	0.299	40	30		BCEBRO
C[C@H]([NH3+])C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000037808403	367872755	/nfs/dbraw/zinc/87/27/55/367872755.db2.gz	FOWREOFXBMNOJC-VIFPVBQESA-N	1	0	217.272	0.864	40	30		BCEBRO
CN(C)C(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CO1	ZINC000109690149	369519036	/nfs/dbraw/zinc/51/90/36/369519036.db2.gz	XNLZACRAAZUECN-VHSXEESVSA-N	1	0	212.293	0.328	40	30		BCEBRO
CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CO1	ZINC000109690145	369519106	/nfs/dbraw/zinc/51/91/06/369519106.db2.gz	XNLZACRAAZUECN-UWVGGRQHSA-N	1	0	212.293	0.328	40	30		BCEBRO
C=CCOC[C@H](O)C[NH2+]CCCOC	ZINC000001640253	384426621	/nfs/dbraw/zinc/42/66/21/384426621.db2.gz	CXSBSKBVZXLJQP-SNVBAGLBSA-N	1	0	203.282	0.176	40	30		BCEBRO
CCC[NH+]1CCN(c2ncc(C#N)cn2)CC1	ZINC000096511737	385252734	/nfs/dbraw/zinc/25/27/34/385252734.db2.gz	IDGFPFZWZJJTKY-UHFFFAOYSA-N	1	0	231.303	0.880	40	30		BCEBRO
CN(Cc1ccc(C#N)cc1)C(=O)C[NH3+]	ZINC000037808390	388574194	/nfs/dbraw/zinc/57/41/94/388574194.db2.gz	FVCXJXXKPSXNFX-UHFFFAOYSA-N	1	0	203.245	0.475	40	30		BCEBRO
N#Cc1nc2ccccc2nc1N1CC[NH2+]CC1	ZINC000013832920	132322299	/nfs/dbraw/zinc/32/22/99/132322299.db2.gz	HZZLBNJRGZEWMQ-UHFFFAOYSA-N	1	0	239.282	0.911	40	30		BCEBRO
N#Cc1cc(N)ccc1N1CC[NH2+]CC1	ZINC000050607448	132359532	/nfs/dbraw/zinc/35/95/32/132359532.db2.gz	QUCGIBACMCXRNB-UHFFFAOYSA-N	1	0	202.261	0.550	40	30		BCEBRO
C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[NH2+]C2	ZINC000096076955	166354942	/nfs/dbraw/zinc/35/49/42/166354942.db2.gz	AWZLBGULKNFWHA-ZDUSSCGKSA-N	1	0	237.347	0.457	40	30		BCEBRO
CC1=C(C)[C@@H]([NH+](C)C)CS(=O)(=O)O1	ZINC000031769250	168087048	/nfs/dbraw/zinc/08/70/48/168087048.db2.gz	CQHWEDWERYTTDF-QMMMGPOBSA-N	1	0	205.279	0.571	40	30		BCEBRO
C[N@@H+]1CCCN(c2ncc(C#N)cn2)CC1	ZINC000096511740	173018694	/nfs/dbraw/zinc/01/86/94/173018694.db2.gz	UDJGOLOGUCWZMA-UHFFFAOYSA-N	1	0	217.276	0.490	40	30		BCEBRO
C[C@@]12NC(=O)C[N+]1(C)CCc1ccccc12	ZINC000002090234	176550505	/nfs/dbraw/zinc/55/05/05/176550505.db2.gz	ANAIJIRDHVVGNS-AFYYWNPRSA-O	1	0	217.292	0.992	40	30		BCEBRO
NC(=[NH2+])NN=Cc1cnc(N2CCCCC2)nc1	ZINC000255189993	526817572	/nfs/dbraw/zinc/81/75/72/526817572.db2.gz	UHFGMEORTHTYLN-LZYBPNLTSA-N	1	0	247.306	0.284	40	30		BCEBRO
C(#CC1CC[NH2+]CC1)CN1CCOCC1	ZINC000401115000	527465159	/nfs/dbraw/zinc/46/51/59/527465159.db2.gz	HUPHKMKDQBAKEB-UHFFFAOYSA-N	1	0	208.305	0.322	40	30		BCEBRO
O=[N+]([O-])c1ccc(C[N+](=O)CCO)cc1	ZINC000002007313	342714499	/nfs/dbraw/zinc/71/44/99/342714499.db2.gz	JQBMIZSARKEVQO-JXMROGBWSA-N	1	0	210.189	0.516	40	30		BCEBRO
COc1cc(C=NNC2=[NH+]CCCN2)ccc1O	ZINC000003592912	342735095	/nfs/dbraw/zinc/73/50/95/342735095.db2.gz	COCGAXSJUULIDQ-OVCLIPMQSA-N	1	0	248.286	0.674	40	30		BCEBRO
CC(C)[N@@H+]1CC[C@@H](COS(C)(=O)=O)C1	ZINC000039320980	187263619	/nfs/dbraw/zinc/26/36/19/187263619.db2.gz	HWNRZIFZPQQCCU-SECBINFHSA-N	1	0	221.322	0.693	40	30		BCEBRO
COc1cccc([C@@H](C#N)N2CC([NH3+])C2)c1	ZINC000409442109	343857392	/nfs/dbraw/zinc/85/73/92/343857392.db2.gz	SWXRVQJJQWQXQN-GFCCVEGCSA-N	1	0	217.272	0.903	40	30		BCEBRO
[NH3+]Cc1ccnc(C#CCN2CCCC2=O)c1	ZINC000585145055	343880391	/nfs/dbraw/zinc/88/03/91/343880391.db2.gz	CGTNULFIEZIQLE-UHFFFAOYSA-N	1	0	229.283	0.514	40	30		BCEBRO
C[NH2+]C1CN([C@@H](C#N)c2ccncc2)C1	ZINC000409441530	343859546	/nfs/dbraw/zinc/85/95/46/343859546.db2.gz	PHJJLIOKIHDUMI-NSHDSACASA-N	1	0	202.261	0.550	40	30		BCEBRO
C#CCn1nc(-c2cnccn2)cc1C[NH3+]	ZINC000409443593	343862002	/nfs/dbraw/zinc/86/20/02/343862002.db2.gz	QAUUYCUZHCLONQ-UHFFFAOYSA-N	1	0	213.244	0.432	40	30		BCEBRO
[NH3+]Cc1ccnc(C#CCn2ccnc2)c1	ZINC000585145499	537970972	/nfs/dbraw/zinc/97/09/72/537970972.db2.gz	YBQBECFLCFZKCC-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
CN([C@H](C#N)c1ccncc1)C1C[NH2+]C1	ZINC000409441391	350482001	/nfs/dbraw/zinc/48/20/01/350482001.db2.gz	PFIPKPRLISVXJW-LLVKDONJSA-N	1	0	202.261	0.550	40	30		BCEBRO
C=CC[NH2+]C[C@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@@H]12	ZINC000005024053	188052415	/nfs/dbraw/zinc/05/24/15/188052415.db2.gz	LGBOXHJCVMWFNE-YTWAJWBKSA-N	1	0	243.303	0.653	40	30		BCEBRO
C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000159825540	188334787	/nfs/dbraw/zinc/33/47/87/188334787.db2.gz	NRASPWHKAMRZEF-BBBLOLIVSA-N	1	0	209.293	0.634	40	30		BCEBRO
C=CC[NH2+]C[C@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@H]12	ZINC000005024052	355355092	/nfs/dbraw/zinc/35/50/92/355355092.db2.gz	LGBOXHJCVMWFNE-DBIOUOCHSA-N	1	0	243.303	0.653	40	30		BCEBRO
CCOC[C@@H]1CCCCN1CC(N)=NO	ZINC000313238624	355778986	/nfs/dbraw/zinc/77/89/86/355778986.db2.gz	XCTOEODQRQDNQP-VIFPVBQESA-N	1	0	215.297	0.624	40	30		BCEBRO
C#CCOCOCC#CC[NH+](CC)CC	ZINC000002288863	355918932	/nfs/dbraw/zinc/91/89/32/355918932.db2.gz	HZZVBACOGKIGDF-UHFFFAOYSA-N	1	0	209.289	0.956	40	30		BCEBRO
[NH3+]CCOS(=O)(=O)c1ccccc1	ZINC000044249085	181399501	/nfs/dbraw/zinc/39/95/01/181399501.db2.gz	XYVHEUSANQHYFS-UHFFFAOYSA-N	1	0	201.247	0.351	40	30		BCEBRO
OCC[NH2+]CC/N=C/c1ccccc1O	ZINC000001754797	183077169	/nfs/dbraw/zinc/07/71/69/183077169.db2.gz	VLCPWRZRHPYSAH-UKTHLTGXSA-N	1	0	208.261	0.393	40	30		BCEBRO
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=NNC(N)=[NH2+]	ZINC000016578213	384463530	/nfs/dbraw/zinc/46/35/30/384463530.db2.gz	FFQJMYFVGXGWTM-AIVJCWBISA-N	1	0	222.292	0.641	40	30		BCEBRO
C=C1C[C@@H](CO)C[C@]1(C[NH3+])S(=O)(=O)CC	ZINC000096532396	385284973	/nfs/dbraw/zinc/28/49/73/385284973.db2.gz	BAWKIAYJNWBTLK-NXEZZACHSA-N	1	0	233.333	0.077	40	30		BCEBRO
N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1	ZINC000021950037	385330556	/nfs/dbraw/zinc/33/05/56/385330556.db2.gz	LAZSCXFXUBMGGC-UHFFFAOYSA-N	1	0	232.243	0.876	40	30		BCEBRO
C=CCNS(=O)(=O)c1ccc(CC[NH3+])cc1	ZINC000044594218	385809034	/nfs/dbraw/zinc/80/90/34/385809034.db2.gz	JMLNBYASTMACAS-UHFFFAOYSA-N	1	0	240.328	0.652	40	30		BCEBRO
C=CCOCc1nnn2c1C[N@H+](C)CC2	ZINC000096084262	386586305	/nfs/dbraw/zinc/58/63/05/386586305.db2.gz	DRGKLCWHISVKCB-UHFFFAOYSA-N	1	0	208.265	0.426	40	30		BCEBRO
C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1C#N	ZINC000079420268	388694987	/nfs/dbraw/zinc/69/49/87/388694987.db2.gz	DNYSYERYARKGKS-VIFPVBQESA-N	1	0	217.272	0.864	40	30		BCEBRO
CCC(=NNC(N)=[NH2+])c1ccc(O)cc1	ZINC000017376402	409668751	/nfs/dbraw/zinc/66/87/51/409668751.db2.gz	CHRUDQIWDSOYRN-LCYFTJDESA-N	1	0	206.249	0.989	40	30		BCEBRO
C#CCNC(N[C@H]1C[C@H]2CC[C@@H]1O2)=[NH+]CC	ZINC000195546235	166171249	/nfs/dbraw/zinc/17/12/49/166171249.db2.gz	UAOOXVKCICBQQY-VWYCJHECSA-N	1	0	221.304	0.495	40	30		BCEBRO
CN(/N=C\c1ccccn1)C1=[NH+]CCCN1	ZINC000017253845	172292639	/nfs/dbraw/zinc/29/26/39/172292639.db2.gz	ZQPJRZZFFOUVAW-DHDCSXOGSA-N	1	0	217.276	0.697	40	30		BCEBRO
Cn1c(C#N)cc(N)c1N1CC[NH+](C)CC1	ZINC000225868916	173095099	/nfs/dbraw/zinc/09/50/99/173095099.db2.gz	ASVPWGABOCWAHB-UHFFFAOYSA-N	1	0	219.292	0.231	40	30		BCEBRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OS(C)(=O)=O)C2	ZINC000005967195	173207308	/nfs/dbraw/zinc/20/73/08/173207308.db2.gz	JDDPSVBBPCQWAL-JVHMLUBASA-N	1	0	219.306	0.588	40	30		BCEBRO
O=[N+]1C=CC(=NNc2cc[n+]([O-])cc2)C=C1	ZINC000328580427	323316892	/nfs/dbraw/zinc/31/68/92/323316892.db2.gz	WTLCFZNZHTUXTI-UHFFFAOYSA-N	1	0	216.200	0.732	40	30		BCEBRO
CCNC(=O)c1ccc2c(c1)nnn2CC[NH3+]	ZINC000328579710	520203271	/nfs/dbraw/zinc/20/32/71/520203271.db2.gz	XKKJXNHYLNNYJL-UHFFFAOYSA-N	1	0	233.275	0.715	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccc(-n2ccnn2)cc1	ZINC000255188733	526817308	/nfs/dbraw/zinc/81/73/08/526817308.db2.gz	LEOWNLHMQVGAQW-VGOFMYFVSA-N	1	0	229.247	0.084	40	30		BCEBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C#N)c1	ZINC000017428337	534960792	/nfs/dbraw/zinc/96/07/92/534960792.db2.gz	NCLZDLNUFXETQQ-UHFFFAOYSA-N	1	0	242.286	0.744	40	30		BCEBRO
CC(C)(C)NC(=O)C[n+]1ccc(/C=N/O)cc1	ZINC000001826824	342712786	/nfs/dbraw/zinc/71/27/86/342712786.db2.gz	RHCUYLXTNJRSJE-UHFFFAOYSA-O	1	0	236.295	0.697	40	30		BCEBRO
Cc1c(C)[n+]([O-])c2cc(C[N+](C)=O)ccc2[n+]1[O-]	ZINC000005493440	342764771	/nfs/dbraw/zinc/76/47/71/342764771.db2.gz	OFDGAQVXRLOAGJ-QPEQYQDCSA-N	1	0	247.254	0.282	40	30		BCEBRO
Cn1c2ccccc2ccc1=NNC(N)=[NH2+]	ZINC000006523783	342778969	/nfs/dbraw/zinc/77/89/69/342778969.db2.gz	BHUQWXAHEYTYPY-UVTDQMKNSA-N	1	0	215.260	0.267	40	30		BCEBRO
N#CC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1	ZINC000409426149	343821446	/nfs/dbraw/zinc/82/14/46/343821446.db2.gz	DKYMJQJSCLFYSU-JTQLQIEISA-N	1	0	207.277	0.358	40	30		BCEBRO
C#Cc1ccc(N2C[C@@H](C[NH3+])OC2=O)cc1	ZINC000409430836	343809225	/nfs/dbraw/zinc/80/92/25/343809225.db2.gz	HYAURGWUJQZHBK-LLVKDONJSA-N	1	0	216.240	0.952	40	30		BCEBRO
[NH3+]Cc1ccc(C#CCn2ccnc2)nc1	ZINC000585145462	343881141	/nfs/dbraw/zinc/88/11/41/343881141.db2.gz	WBUKESFPCCRWGA-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
C=C1C[C@H](CO)C[C@@]1(C[NH3+])S(=O)(=O)CC	ZINC000096532398	187361589	/nfs/dbraw/zinc/36/15/89/187361589.db2.gz	BAWKIAYJNWBTLK-UWVGGRQHSA-N	1	0	233.333	0.077	40	30		BCEBRO
C=C1C[C@@H](S(=O)(=O)CC)C[C@]1(C[NH3+])CO	ZINC000096532480	187362223	/nfs/dbraw/zinc/36/22/23/187362223.db2.gz	PIBXNLQULRIWTI-ZJUUUORDSA-N	1	0	233.333	0.077	40	30		BCEBRO
C=C1C[C@H](S(=O)(=O)CC)C[C@@]1(C[NH3+])CO	ZINC000096532486	188051133	/nfs/dbraw/zinc/05/11/33/188051133.db2.gz	PIBXNLQULRIWTI-VHSXEESVSA-N	1	0	233.333	0.077	40	30		BCEBRO
CC(C)[N@@H+]1CC[C@H](COS(C)(=O)=O)C1	ZINC000039320978	188291082	/nfs/dbraw/zinc/29/10/82/188291082.db2.gz	HWNRZIFZPQQCCU-VIFPVBQESA-N	1	0	221.322	0.693	40	30		BCEBRO
CN(C)C(=O)ON1c2ccccc2C[C@H]([NH3+])C1=O	ZINC000091297437	384115400	/nfs/dbraw/zinc/11/54/00/384115400.db2.gz	GTGFQRUCAOHJGM-VIFPVBQESA-N	1	0	249.270	0.516	40	30		BCEBRO
COc1cc(C=NNC2=[NH+]CCN2)ccc1O	ZINC000104313168	384821199	/nfs/dbraw/zinc/82/11/99/384821199.db2.gz	SZFBDODDCDWPPU-AUWJEWJLSA-N	1	0	234.259	0.284	40	30		BCEBRO
CC[NH+]1CCN(c2ncc(C#N)cn2)CC1	ZINC000096511736	385251722	/nfs/dbraw/zinc/25/17/22/385251722.db2.gz	BXWHMJRRZFIRBS-UHFFFAOYSA-N	1	0	217.276	0.490	40	30		BCEBRO
N#CCC(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000052062886	385320011	/nfs/dbraw/zinc/32/00/11/385320011.db2.gz	YXKNKLVDUDJRGS-UHFFFAOYSA-N	1	0	221.304	0.987	40	30		BCEBRO
C=CC[N@H+]1CCC2(CN(S(=O)(=O)CC)C2)C1	ZINC000096202493	166353658	/nfs/dbraw/zinc/35/36/58/166353658.db2.gz	JPIMWYNIVXSHMF-UHFFFAOYSA-N	1	0	244.360	0.530	40	30		BCEBRO
CCOC(=O)C(C#N)[n+]1ccc(C)cc1	ZINC000006403430	170264102	/nfs/dbraw/zinc/26/41/02/170264102.db2.gz	DOYJPBDLNDQOBL-JTQLQIEISA-N	1	0	205.237	0.910	40	30		BCEBRO
COC(=O)CCC[n+]1cccc(C#N)c1	ZINC000001708652	173547484	/nfs/dbraw/zinc/54/74/84/173547484.db2.gz	BASDNIZAHAWGBX-UHFFFAOYSA-N	1	0	205.237	0.799	40	30		BCEBRO
C[C@]12NC(=O)C[N+]1(C)CCc1ccccc12	ZINC000005531166	177485558	/nfs/dbraw/zinc/48/55/58/177485558.db2.gz	ANAIJIRDHVVGNS-CFMCSPIPSA-O	1	0	217.292	0.992	40	30		BCEBRO
Cc1cc(N2CC[NH+](C)CC2)ncc1/C=N/O	ZINC000072223592	259321617	/nfs/dbraw/zinc/32/16/17/259321617.db2.gz	VMNAZKCBQGFZBD-NTEUORMPSA-N	1	0	234.303	0.950	40	30		BCEBRO
CCOc1ccccc1C=NNC(N)=[NH2+]	ZINC000031647604	343222280	/nfs/dbraw/zinc/22/22/80/343222280.db2.gz	SAXGMFNHXQOZTQ-QPEQYQDCSA-N	1	0	206.249	0.902	40	30		BCEBRO
CN(C)c1ccc(C=NNC(N)=[NH2+])cc1	ZINC000031342769	343217359	/nfs/dbraw/zinc/21/73/59/343217359.db2.gz	KGSVTIOPRMVDLA-QPEQYQDCSA-N	1	0	205.265	0.570	40	30		BCEBRO
C[NH2+]C1CN([C@@H](C#N)c2ccccn2)C1	ZINC000409437946	343849433	/nfs/dbraw/zinc/84/94/33/343849433.db2.gz	BJULZFSQLXWDHH-NSHDSACASA-N	1	0	202.261	0.550	40	30		BCEBRO
COc1ccc([C@@H](C#N)N2CC([NH3+])C2)cc1	ZINC000409442612	343857206	/nfs/dbraw/zinc/85/72/06/343857206.db2.gz	YCTNRXLRKOTJQY-GFCCVEGCSA-N	1	0	217.272	0.903	40	30		BCEBRO
N#C[C@H](c1ccccn1)N1CC(C[NH3+])C1	ZINC000409440166	343851283	/nfs/dbraw/zinc/85/12/83/343851283.db2.gz	JVGAMBQFXUOHGJ-LLVKDONJSA-N	1	0	202.261	0.537	40	30		BCEBRO
C#CCn1nc(-c2cnccn2)cc1C(N)=[NH2+]	ZINC000409442770	343864713	/nfs/dbraw/zinc/86/47/13/343864713.db2.gz	AEVUKVWYHIJLMC-UHFFFAOYSA-N	1	0	226.243	0.257	40	30		BCEBRO
[NH3+]Cc1cncc(C#CCn2ccnc2)c1	ZINC000585145226	344179923	/nfs/dbraw/zinc/17/99/23/344179923.db2.gz	IOFUFEVEEQVWAL-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
O=[N+]([O-])c1ccc(C[N+](=O)CCO)o1	ZINC000001567413	346448945	/nfs/dbraw/zinc/44/89/45/346448945.db2.gz	QSWZUVFMUIEHAG-YVMONPNESA-N	1	0	200.150	0.109	40	30	in-man	BCEBRO
O=[N+]([O-])c1ccc(C[N+](=O)CCO)o1	ZINC000001567412	346448621	/nfs/dbraw/zinc/44/86/21/346448621.db2.gz	QSWZUVFMUIEHAG-VMPITWQZSA-N	1	0	200.150	0.109	40	30	in-man	BCEBRO
OCC[NH2+]CCNCC#Cc1ccccc1	ZINC000023468479	350208078	/nfs/dbraw/zinc/20/80/78/350208078.db2.gz	ZOJNLQPRSOLQDW-UHFFFAOYSA-N	1	0	218.300	0.210	40	30		BCEBRO
CC1(C)N(O)C2=C(C(=NO)CCC2=NO)[N+]1=O	ZINC000019325575	188280736	/nfs/dbraw/zinc/28/07/36/188280736.db2.gz	LORPLNUNBIKYJO-YOYBCKCWSA-N	1	0	240.219	0.093	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccnc2ccccc12	ZINC000006576313	181322817	/nfs/dbraw/zinc/32/28/17/181322817.db2.gz	JNKWYJCBUQSJBN-VIZOYTHASA-N	1	0	213.244	0.842	40	30		BCEBRO
CN(Cc1ccccc1C#N)C(=O)C[NH3+]	ZINC000079420221	384144263	/nfs/dbraw/zinc/14/42/63/384144263.db2.gz	HXPCQMXGLZAEEP-UHFFFAOYSA-N	1	0	203.245	0.475	40	30		BCEBRO
CC(C)[NH+]1CCN(c2ncc(C#N)cn2)CC1	ZINC000096511738	385252056	/nfs/dbraw/zinc/25/20/56/385252056.db2.gz	MPPPERKASQGWMT-UHFFFAOYSA-N	1	0	231.303	0.879	40	30		BCEBRO
C=C(C)C(=O)OC[C@H](O)C[N+](C)(C)C	ZINC000002156491	388364176	/nfs/dbraw/zinc/36/41/76/388364176.db2.gz	RUYKUXOULSOEPZ-SECBINFHSA-N	1	0	202.274	0.173	40	30		BCEBRO
C=CCOCc1nn(C)c2c1C[NH2+]CC2	ZINC000306138882	134160761	/nfs/dbraw/zinc/16/07/61/134160761.db2.gz	SJYKFYUQSIGYLC-UHFFFAOYSA-N	1	0	207.277	0.768	40	30		BCEBRO
C=CCN1CCN(C(C)C)C(=O)[C@]12CC[NH2+]C2	ZINC000096076956	166356620	/nfs/dbraw/zinc/35/66/20/166356620.db2.gz	AWZLBGULKNFWHA-CYBMUJFWSA-N	1	0	237.347	0.457	40	30		BCEBRO
C[C@H]1CCCC[N@@H+]1CCCNC(N)=N[N+](=O)[O-]	ZINC000031960167	177075550	/nfs/dbraw/zinc/07/55/50/177075550.db2.gz	YNAHNDIYSDPLRC-VIFPVBQESA-N	1	0	243.311	0.347	40	30		BCEBRO
O=[N+]([O-])c1ccc(C[N+](=O)CCO)cc1	ZINC000001871512	342713261	/nfs/dbraw/zinc/71/32/61/342713261.db2.gz	JQBMIZSARKEVQO-YFHOEESVSA-N	1	0	210.189	0.516	40	30		BCEBRO
N#CCC(=O)N1CCC([NH+]2CCOCC2)CC1	ZINC000409425251	343818746	/nfs/dbraw/zinc/81/87/46/343818746.db2.gz	FOSFPQFBYZWPFT-UHFFFAOYSA-N	1	0	237.303	0.223	40	30		BCEBRO
NC(=NO)c1cccn2c3c(nc12)CCC3	ZINC000409438574	343844807	/nfs/dbraw/zinc/84/48/07/343844807.db2.gz	DDSUQMWDPJUHQW-UHFFFAOYSA-N	1	0	216.244	0.918	40	30		BCEBRO
N#C[C@H](c1cccnc1)N1CC(C[NH3+])C1	ZINC000409441838	343861404	/nfs/dbraw/zinc/86/14/04/343861404.db2.gz	ROCGXJAYPPRHGA-LLVKDONJSA-N	1	0	202.261	0.537	40	30		BCEBRO
CCOc1ccc(C=NNC(N)=[NH2+])cc1OC	ZINC000005967592	346268418	/nfs/dbraw/zinc/26/84/18/346268418.db2.gz	SIMPNBYTVLOPNP-VGOFMYFVSA-N	1	0	236.275	0.701	40	30		BCEBRO
CC[NH+]1CCN(c2c(N)cc(C#N)n2C)CC1	ZINC000225869478	350377002	/nfs/dbraw/zinc/37/70/02/350377002.db2.gz	PMYGQYGMVDSDRG-UHFFFAOYSA-N	1	0	233.319	0.621	40	30		BCEBRO
N#CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1	ZINC000409425537	350476835	/nfs/dbraw/zinc/47/68/35/350476835.db2.gz	ABYKIFPGKKHQNV-SNVBAGLBSA-N	1	0	207.277	0.501	40	30		BCEBRO
C#CCn1cc(C(N)=[NH2+])c(-c2ccccn2)n1	ZINC000409437109	350480500	/nfs/dbraw/zinc/48/05/00/350480500.db2.gz	DQEIGUWUVRAWPO-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
N#CCCCC[N+]12CN3CN(CN(C3)C1)C2	ZINC000019319558	188106670	/nfs/dbraw/zinc/10/66/70/188106670.db2.gz	BUOOIFLPVYSVSU-UHFFFAOYSA-N	1	0	222.316	0.189	40	30	in-vitro	BCEBRO
C=C(Cl)C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019319481	356481772	/nfs/dbraw/zinc/48/17/72/356481772.db2.gz	TXFXRAXAKBMKQU-UHFFFAOYSA-N	1	0	215.708	0.248	40	30		BCEBRO
C=CCN(CC=C)C[C@H](O)C[NH2+]C1CC1	ZINC000064875564	259523231	/nfs/dbraw/zinc/52/32/31/259523231.db2.gz	ITPHJGXBYUETEH-GFCCVEGCSA-N	1	0	210.321	0.773	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])s1	ZINC000006567214	181322622	/nfs/dbraw/zinc/32/26/22/181322622.db2.gz	LIMHSTZRYMWFSE-YCRREMRBSA-N	1	0	213.222	0.264	40	30		BCEBRO
CCC[C@@H]1NC(=[NH+]N)NC(C)=C1C(=O)OCC	ZINC000006636415	368407603	/nfs/dbraw/zinc/40/76/03/368407603.db2.gz	GEZQGOZPDPACQX-QMMMGPOBSA-N	1	0	240.307	0.415	40	30		BCEBRO
CC(C)(C#N)N(O)C=C[N+](=O)C(C)(C)C#N	ZINC000002294750	383959639	/nfs/dbraw/zinc/95/96/39/383959639.db2.gz	NHBJWTRJPFBPNA-FUJGBLOQSA-N	1	0	222.248	0.753	40	30		BCEBRO
C/[NH+]=C1\SCCN1CCOC(C)=O	ZINC000005378720	384111632	/nfs/dbraw/zinc/11/16/32/384111632.db2.gz	COPGBWZYGHXOAP-HJWRWDBZSA-N	1	0	202.279	0.584	40	30		BCEBRO
CN(C)C(=O)ON1c2ccccc2C[C@@H]([NH3+])C1=O	ZINC000091297438	384114293	/nfs/dbraw/zinc/11/42/93/384114293.db2.gz	GTGFQRUCAOHJGM-SECBINFHSA-N	1	0	249.270	0.516	40	30		BCEBRO
C[C@H]([NH3+])C(=O)NCc1ccccc1C#N	ZINC000079420260	388694893	/nfs/dbraw/zinc/69/48/93/388694893.db2.gz	NBTUFTAFXYZUDO-QMMMGPOBSA-N	1	0	203.245	0.522	40	30		BCEBRO
C=CCNC(=S)NN=C1CC[NH+](C)CC1	ZINC000056656677	166397513	/nfs/dbraw/zinc/39/75/13/166397513.db2.gz	XIIZJSMOCQHOAW-UHFFFAOYSA-N	1	0	226.349	0.718	40	30		BCEBRO
CCOC(=O)C(C(=O)OCC)[n+]1ccccc1	ZINC000005324933	170185199	/nfs/dbraw/zinc/18/51/99/170185199.db2.gz	QJNLGWWNCFWCFT-UHFFFAOYSA-N	1	0	238.263	0.641	40	30		BCEBRO
CN(C)/C=[NH+]\CCNc1ccc([N+](=O)[O-])cn1	ZINC000104147207	172352050	/nfs/dbraw/zinc/35/20/50/172352050.db2.gz	KMRSOZZRJODKGC-FLIBITNWSA-N	1	0	237.263	0.992	40	30		BCEBRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OS(C)(=O)=O)C2	ZINC000100025415	173206583	/nfs/dbraw/zinc/20/65/83/173206583.db2.gz	JDDPSVBBPCQWAL-BRPSZJMVSA-N	1	0	219.306	0.588	40	30		BCEBRO
C=CC[NH2+]Cc1cccc(S(N)(=O)=O)c1	ZINC000225769874	518955502	/nfs/dbraw/zinc/95/55/02/518955502.db2.gz	CZIUPOPHSLDCBE-UHFFFAOYSA-N	1	0	226.301	0.610	40	30		BCEBRO
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)C1CC1	ZINC000008300762	566483701	/nfs/dbraw/zinc/48/37/01/566483701.db2.gz	JIJSKOLOZZSELQ-WCFLWFBJSA-N	1	0	232.327	0.856	40	30	biogenic,in-vitro	BCEBRO
N#Cc1ccc(C(=O)N2CC([NH3+])C2)cc1	ZINC000083635201	343646872	/nfs/dbraw/zinc/64/68/72/343646872.db2.gz	JMTYZOOXQZXAFG-UHFFFAOYSA-N	1	0	201.229	0.341	40	30		BCEBRO
N#CC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1	ZINC000409427823	343802251	/nfs/dbraw/zinc/80/22/51/343802251.db2.gz	LBENYHBOQLGHOS-NSHDSACASA-N	1	0	221.304	0.748	40	30		BCEBRO
C=CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1	ZINC000040490843	343783734	/nfs/dbraw/zinc/78/37/34/343783734.db2.gz	UBJJRSQFXFSCKB-LBPRGKRZSA-N	1	0	237.347	0.316	40	30		BCEBRO
N/C(CN1CC[NH+](C2CCCCC2)CC1)=N\O	ZINC000109443088	343786337	/nfs/dbraw/zinc/78/63/37/343786337.db2.gz	DTJXSMBLJGFKLH-UHFFFAOYSA-N	1	0	240.351	0.683	40	30		BCEBRO
C#Cc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1	ZINC000409430839	343809295	/nfs/dbraw/zinc/80/92/95/343809295.db2.gz	HYAURGWUJQZHBK-NSHDSACASA-N	1	0	216.240	0.952	40	30		BCEBRO
COc1cccc([C@H](C#N)N2CC([NH3+])C2)c1	ZINC000409442111	343857398	/nfs/dbraw/zinc/85/73/98/343857398.db2.gz	SWXRVQJJQWQXQN-LBPRGKRZSA-N	1	0	217.272	0.903	40	30		BCEBRO
C[NH2+]C1CN([C@H](C#N)c2cccnc2)C1	ZINC000409438053	343849187	/nfs/dbraw/zinc/84/91/87/343849187.db2.gz	BWAPEHNSPMIQQZ-LLVKDONJSA-N	1	0	202.261	0.550	40	30		BCEBRO
N#C[C@@H](c1ccccn1)N1CC(C[NH3+])C1	ZINC000409440170	343851503	/nfs/dbraw/zinc/85/15/03/343851503.db2.gz	JVGAMBQFXUOHGJ-NSHDSACASA-N	1	0	202.261	0.537	40	30		BCEBRO
CN([C@@H](C#N)c1ccncc1)C1C[NH2+]C1	ZINC000409441518	343859578	/nfs/dbraw/zinc/85/95/78/343859578.db2.gz	PFIPKPRLISVXJW-NSHDSACASA-N	1	0	202.261	0.550	40	30		BCEBRO
N#Cc1cccc(C(=O)N2CC([NH3+])C2)c1	ZINC000083635418	344180877	/nfs/dbraw/zinc/18/08/77/344180877.db2.gz	JZYDNWLWANTUMI-UHFFFAOYSA-N	1	0	201.229	0.341	40	30		BCEBRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1O	ZINC000005576262	346267986	/nfs/dbraw/zinc/26/79/86/346267986.db2.gz	HEIPQBIBMIFYSM-AWNIVKPZSA-N	1	0	222.248	0.398	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])s1	ZINC000005181009	181188259	/nfs/dbraw/zinc/18/82/59/181188259.db2.gz	LIMHSTZRYMWFSE-OQFOIZHKSA-N	1	0	213.222	0.473	40	30		BCEBRO
CCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O	ZINC000013131935	358432373	/nfs/dbraw/zinc/43/23/73/358432373.db2.gz	LXSOLMJTVLVVGL-ZROIWOOFSA-N	1	0	231.259	0.240	40	30		BCEBRO
NC(=[NH2+])NN=Cc1nccc2ccccc21	ZINC000006584256	181323533	/nfs/dbraw/zinc/32/35/33/181323533.db2.gz	SIJZXPSAFDTFAS-VIZOYTHASA-N	1	0	213.244	0.842	40	30		BCEBRO
N#Cc1c(N)cc(N)[nH+]c1N1CCCC1	ZINC000044018782	384441810	/nfs/dbraw/zinc/44/18/10/384441810.db2.gz	ADHIOVIUDGLTII-UHFFFAOYSA-N	1	0	203.249	0.718	40	30		BCEBRO
C[NH+]1CCN(c2ccc(/C=N/O)cn2)CC1	ZINC000072225521	385113070	/nfs/dbraw/zinc/11/30/70/385113070.db2.gz	WPSXQOHRMHHTRQ-UKTHLTGXSA-N	1	0	220.276	0.642	40	30		BCEBRO
C=CC[NH2+]C[C@@H](O)COCc1ccco1	ZINC000037851955	385255986	/nfs/dbraw/zinc/25/59/86/385255986.db2.gz	XZUCUMOTWUERQF-SNVBAGLBSA-N	1	0	211.261	0.933	40	30		BCEBRO
C=C1C[C@H](CO)C[C@]1(C[NH3+])S(=O)(=O)CC	ZINC000096532399	385285857	/nfs/dbraw/zinc/28/58/57/385285857.db2.gz	BAWKIAYJNWBTLK-VHSXEESVSA-N	1	0	233.333	0.077	40	30		BCEBRO
C=CCn1c(=O)ccc2c1CC[C@H]([NH3+])C2	ZINC000096260655	386599445	/nfs/dbraw/zinc/59/94/45/386599445.db2.gz	KQNSAFCGRQPIQU-JTQLQIEISA-N	1	0	204.273	0.850	40	30		BCEBRO
C=CCN1CCN(C)C2(CC[NH2+]CC2)C1=O	ZINC000306127021	134160685	/nfs/dbraw/zinc/16/06/85/134160685.db2.gz	FLRABWGGYSTWLQ-UHFFFAOYSA-N	1	0	223.320	0.069	40	30		BCEBRO
C=CC[NH+](CC=C)[C@@H]1CCO[C@@H](OC)[C@@H]1O	ZINC000005662562	166336571	/nfs/dbraw/zinc/33/65/71/166336571.db2.gz	UHIBOCYMIIIVGS-IJLUTSLNSA-N	1	0	227.304	0.783	40	30		BCEBRO
CC[N@@H+]1CC[C@H](COS(C)(=O)=O)C1	ZINC000039320974	170016090	/nfs/dbraw/zinc/01/60/90/170016090.db2.gz	WMYXUONJISVSQZ-QMMMGPOBSA-N	1	0	207.295	0.304	40	30		BCEBRO
CCOC(=O)C(C#N)[n+]1ccc(C)cc1	ZINC000006403269	170244582	/nfs/dbraw/zinc/24/45/82/170244582.db2.gz	DOYJPBDLNDQOBL-SNVBAGLBSA-N	1	0	205.237	0.910	40	30		BCEBRO
N#Cc1nonc1[N+](=O)N=c1[nH]onc1C#N	ZINC000100927977	526800002	/nfs/dbraw/zinc/80/00/02/526800002.db2.gz	XFHGDVMACOUZPV-ZROIWOOFSA-N	1	0	232.119	0.122	40	30		BCEBRO
CCC[C@H]1NC(=[NH+]N)NC(C)=C1C(=O)OCC	ZINC000006636391	342780356	/nfs/dbraw/zinc/78/03/56/342780356.db2.gz	GEZQGOZPDPACQX-MRVPVSSYSA-N	1	0	240.307	0.415	40	30		BCEBRO
Cc1nc(N2CC[NH2+]CC2)ccc1/C=N/O	ZINC000072224612	259321985	/nfs/dbraw/zinc/32/19/85/259321985.db2.gz	KMQFMUILPMNLQF-MDWZMJQESA-N	1	0	220.276	0.608	40	30		BCEBRO
N#CCC(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000408319947	343811990	/nfs/dbraw/zinc/81/19/90/343811990.db2.gz	NHWLDQDOMVLPRS-UHFFFAOYSA-N	1	0	237.303	0.223	40	30		BCEBRO
C=CCN(CC=C)c1cc(OCC[NH3+])ncn1	ZINC000409429079	343804587	/nfs/dbraw/zinc/80/45/87/343804587.db2.gz	BNRJCNNWQWZUKS-UHFFFAOYSA-N	1	0	234.303	0.993	40	30		BCEBRO
C[NH+](C)C1CCN(N(O)CCC=O)CC1	ZINC000238322610	537819350	/nfs/dbraw/zinc/81/93/50/537819350.db2.gz	BFBAJIPOVVHBHU-UHFFFAOYSA-N	1	0	215.297	0.208	40	30		BCEBRO
C#CCn1cc(C[NH2+]C)c(-c2cnccn2)n1	ZINC000409438464	343844233	/nfs/dbraw/zinc/84/42/33/343844233.db2.gz	LLGICQWPDUXWJT-UHFFFAOYSA-N	1	0	227.271	0.693	40	30		BCEBRO
C[NH2+]C1CN([C@H](C#N)c2ccccn2)C1	ZINC000409437944	343849175	/nfs/dbraw/zinc/84/91/75/343849175.db2.gz	BJULZFSQLXWDHH-LLVKDONJSA-N	1	0	202.261	0.550	40	30		BCEBRO
C#CCn1nc(-c2cnccn2)cc1CC[NH3+]	ZINC000409443354	343867265	/nfs/dbraw/zinc/86/72/65/343867265.db2.gz	LOMNMBYAKXDDLS-UHFFFAOYSA-N	1	0	227.271	0.475	40	30		BCEBRO
[NH3+]CC#Cc1cnn(CC(F)(F)F)c1	ZINC000585142744	344176435	/nfs/dbraw/zinc/17/64/35/344176435.db2.gz	PUIQFLRFPYLQHI-UHFFFAOYSA-N	1	0	203.167	0.756	40	30		BCEBRO
[NH3+]Cc1cccc(C#CCn2ccnc2)n1	ZINC000585145266	344180465	/nfs/dbraw/zinc/18/04/65/344180465.db2.gz	KAJRYQXCEMMENV-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
N#Cc1cccc(Cn2cc(C[NH3+])nn2)c1	ZINC000409422668	344451063	/nfs/dbraw/zinc/45/10/63/344451063.db2.gz	HKVGMJCZVQBKPE-UHFFFAOYSA-N	1	0	213.244	0.657	40	30		BCEBRO
N#CC1(C(=O)N[C@@H]2COC3(C2)CC[NH2+]CC3)CC1	ZINC000063528165	181028895	/nfs/dbraw/zinc/02/88/95/181028895.db2.gz	YLGIXQBZAXBRRN-JTQLQIEISA-N	1	0	249.314	0.317	40	30		BCEBRO
N#Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1	ZINC000050228659	181135632	/nfs/dbraw/zinc/13/56/32/181135632.db2.gz	KERAIYKIFPRACY-LLVKDONJSA-N	1	0	215.256	0.731	40	30		BCEBRO
N#Cc1nccnc1OC[C@@H]1CCCC[NH2+]1	ZINC000054378968	181174803	/nfs/dbraw/zinc/17/48/03/181174803.db2.gz	OUBKLWIIIJYIPG-VIFPVBQESA-N	1	0	218.260	0.869	40	30		BCEBRO
N#Cc1nccnc1OCC1CC[NH2+]CC1	ZINC000054378957	181174967	/nfs/dbraw/zinc/17/49/67/181174967.db2.gz	KHIZWMLUCIPPAO-UHFFFAOYSA-N	1	0	218.260	0.727	40	30		BCEBRO
NC(=[NH2+])NN=Cc1c(Cl)nc2n1CCS2	ZINC000005600196	181322949	/nfs/dbraw/zinc/32/29/49/181322949.db2.gz	FJHASOKORXRLTI-QDEBKDIKSA-N	1	0	244.711	0.250	40	30		BCEBRO
NC(=[NH2+])N=NCC(Cl)(Cl)Cl	ZINC000005828165	181323110	/nfs/dbraw/zinc/32/31/10/181323110.db2.gz	AJJMWEUYKUTSRX-XLUWADSXSA-N	1	0	203.460	0.616	40	30		BCEBRO
CC(=O)SCC[NH2+]CCOCCC#N	ZINC000001726568	383930858	/nfs/dbraw/zinc/93/08/58/383930858.db2.gz	ZBZVWJPIFOFYKA-UHFFFAOYSA-N	1	0	216.306	0.786	40	30		BCEBRO
CC1(C)CC(=O)C(=CC[NH2+]CCCO)C(=O)C1	ZINC000095887395	384405976	/nfs/dbraw/zinc/40/59/76/384405976.db2.gz	YWKKRMRZDXWGFG-UHFFFAOYSA-N	1	0	239.315	0.843	40	30		BCEBRO
COc1cc(C=NNC(N)=[NH2+])ccc1O	ZINC000095952340	384419301	/nfs/dbraw/zinc/41/93/01/384419301.db2.gz	AUWLLDNHXWTMLF-XGICHPGQSA-N	1	0	208.221	0.218	40	30		BCEBRO
C=CCN(CC=C)C[C@@H](O)C[NH2+]C1CC1	ZINC000064875566	388671883	/nfs/dbraw/zinc/67/18/83/388671883.db2.gz	ITPHJGXBYUETEH-LBPRGKRZSA-N	1	0	210.321	0.773	40	30		BCEBRO
N#Cc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000021949762	132332138	/nfs/dbraw/zinc/33/21/38/132332138.db2.gz	KQAULSUDWUIOST-UHFFFAOYSA-N	1	0	232.243	0.876	40	30		BCEBRO
CC1=C(C)[C@H]([NH+](C)C)CS(=O)(=O)O1	ZINC000031769248	168087289	/nfs/dbraw/zinc/08/72/89/168087289.db2.gz	CQHWEDWERYTTDF-MRVPVSSYSA-N	1	0	205.279	0.571	40	30		BCEBRO
CCOC(=O)C[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2	ZINC000017047428	170234475	/nfs/dbraw/zinc/23/44/75/170234475.db2.gz	ZVYHEDHPSDOZIG-UYVFGJEYSA-N	1	0	228.312	0.682	40	30		BCEBRO
C[C@@]12NC(=O)C[N@+]1(C)CCc1ccccc12	ZINC000247537280	325593471	/nfs/dbraw/zinc/59/34/71/325593471.db2.gz	ANAIJIRDHVVGNS-HIFRSBDPSA-O	1	0	217.292	0.992	40	30		BCEBRO
Cc1cc(N)c(C#N)cc1C[NH2+]CCO	ZINC000094560697	178102045	/nfs/dbraw/zinc/10/20/45/178102045.db2.gz	MKELXKHGZSIYGC-UHFFFAOYSA-N	1	0	205.261	0.531	40	30		BCEBRO
C[n+]1c(/C=N/NC(N)=S)ccc2ccccc21	ZINC000001567118	342703418	/nfs/dbraw/zinc/70/34/18/342703418.db2.gz	OEMRNBXUONTWIL-UHFFFAOYSA-O	1	0	245.331	0.831	40	30		BCEBRO
O=C([C@H]1CCC[N@@H+]1C[C@H]1CO1)N1CCCCC1	ZINC000252486773	259325932	/nfs/dbraw/zinc/32/59/32/259325932.db2.gz	NCYMFWSTTPFFTI-NWDGAFQWSA-N	1	0	238.331	0.862	40	30		BCEBRO
C=CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1	ZINC000040490845	343783752	/nfs/dbraw/zinc/78/37/52/343783752.db2.gz	VYSZRPNGNJTMHX-GFCCVEGCSA-N	1	0	237.347	0.459	40	30		BCEBRO
CC(C)C[NH+]1CCN(C(=O)CC#N)CC1	ZINC000055079824	343789377	/nfs/dbraw/zinc/78/93/77/343789377.db2.gz	MQJNKXAZDXDWSR-UHFFFAOYSA-N	1	0	209.293	0.700	40	30		BCEBRO
C#CCn1cc(C[NH3+])c(C(F)(F)F)n1	ZINC000409439953	343853940	/nfs/dbraw/zinc/85/39/40/343853940.db2.gz	QYZABCAMLXEBBF-UHFFFAOYSA-N	1	0	203.167	0.994	40	30		BCEBRO
C#CCn1nc2c(c1C(N)=[NH2+])CSCC2	ZINC000409436901	343841283	/nfs/dbraw/zinc/84/12/83/343841283.db2.gz	CDKFCSJBDWAFPS-UHFFFAOYSA-N	1	0	220.301	0.590	40	30		BCEBRO
C#CCn1ccn2nc(C)c(C(N)=[NH2+])c12	ZINC000409439209	343846730	/nfs/dbraw/zinc/84/67/30/343846730.db2.gz	QJIHSAFTQQWXNI-UHFFFAOYSA-N	1	0	201.233	0.361	40	30		BCEBRO
CC(C)(C)OC(=O)Cn1cc(C#CC[NH3+])cn1	ZINC000585143016	343877512	/nfs/dbraw/zinc/87/75/12/343877512.db2.gz	NTZJLLSWKYVNAT-UHFFFAOYSA-N	1	0	235.287	0.535	40	30		BCEBRO
[NH3+]Cc1cncc(C#CCn2cccn2)c1	ZINC000585145355	343880474	/nfs/dbraw/zinc/88/04/74/343880474.db2.gz	OYONWCCOGPSZPZ-UHFFFAOYSA-N	1	0	212.256	0.789	40	30		BCEBRO
C#CCn1nc(-c2cccnc2)cc1C(N)=[NH2+]	ZINC000409443098	343865414	/nfs/dbraw/zinc/86/54/14/343865414.db2.gz	GZPSMYSJXNFSSS-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@H]2CCOC2)c1	ZINC000585143118	344178745	/nfs/dbraw/zinc/17/87/45/344178745.db2.gz	VOLRXYVYRVQTFT-LLVKDONJSA-N	1	0	205.261	0.230	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@@H]2CCCOC2)c1	ZINC000585142740	344176280	/nfs/dbraw/zinc/17/62/80/344176280.db2.gz	AFQUGXNFEKCWKM-LBPRGKRZSA-N	1	0	219.288	0.620	40	30		BCEBRO
C#CCn1nc(-c2ccncc2)cc1C(N)=[NH2+]	ZINC000409443171	350483375	/nfs/dbraw/zinc/48/33/75/350483375.db2.gz	IEZPWAANGLEIOG-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
N#Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1	ZINC000050228797	181097698	/nfs/dbraw/zinc/09/76/98/181097698.db2.gz	OCFRZEXGSKWABR-LLVKDONJSA-N	1	0	215.256	0.731	40	30		BCEBRO
N#Cc1nccnc1OC1CC[NH2+]CC1	ZINC000054378947	181175390	/nfs/dbraw/zinc/17/53/90/181175390.db2.gz	FAOOGTCKESQQSQ-UHFFFAOYSA-N	1	0	204.233	0.479	40	30		BCEBRO
NC(=[NH2+])NN=Cc1cc(Cl)ccc1O	ZINC000001692407	181187602	/nfs/dbraw/zinc/18/76/02/181187602.db2.gz	JHAWOOHRWJYHGO-UUILKARUSA-N	1	0	212.640	0.863	40	30		BCEBRO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H]2CO2)C1	ZINC000135813563	183002611	/nfs/dbraw/zinc/00/26/11/183002611.db2.gz	JVHGRPPYKMTKRC-TUAOUCFPSA-N	1	0	246.310	0.666	40	30		BCEBRO
O=C([C@@H]1CCC[N@@H+]1C[C@H]1CO1)N1CCCC1	ZINC000242548906	388399272	/nfs/dbraw/zinc/39/92/72/388399272.db2.gz	MATLRTAMGIUQCF-QWRGUYRKSA-N	1	0	224.304	0.472	40	30		BCEBRO
O=C([C@H]1CCC[N@H+](C[C@H]2CO2)C1)N1CCCC1	ZINC000242722836	388400901	/nfs/dbraw/zinc/40/09/01/388400901.db2.gz	XWPLFLQCOWOYEH-RYUDHWBXSA-N	1	0	238.331	0.720	40	30		BCEBRO
Cc1nc(N2CC[NH2+]CC2)ccc1C#N	ZINC000035067451	132312384	/nfs/dbraw/zinc/31/23/84/132312384.db2.gz	SKROBZLZAKOOAH-UHFFFAOYSA-N	1	0	202.261	0.671	40	30		BCEBRO
C=CCN1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1=O	ZINC000096244996	166360783	/nfs/dbraw/zinc/36/07/83/166360783.db2.gz	ZMKRCKHOMNCWNE-MNOVXSKESA-N	1	0	208.305	0.971	40	30		BCEBRO
C[C@]12NC(=O)C[N@+]1(C)CCc1ccccc12	ZINC000247537286	325593675	/nfs/dbraw/zinc/59/36/75/325593675.db2.gz	ANAIJIRDHVVGNS-ZFWWWQNUSA-O	1	0	217.292	0.992	40	30		BCEBRO
CNC(=O)c1ccc2c(c1)nnn2CC[NH3+]	ZINC000328579677	518570717	/nfs/dbraw/zinc/57/07/17/518570717.db2.gz	VXEXEIQUZQUVKK-UHFFFAOYSA-N	1	0	219.248	0.324	40	30		BCEBRO
C#CCn1cc(C[NH3+])c(-c2cnccn2)n1	ZINC000409438224	343849661	/nfs/dbraw/zinc/84/96/61/343849661.db2.gz	KXHUFTJLPCMSAF-UHFFFAOYSA-N	1	0	213.244	0.432	40	30		BCEBRO
C#CCn1nc(-c2cnccn2)cc1C[NH2+]C	ZINC000409443324	343866885	/nfs/dbraw/zinc/86/68/85/343866885.db2.gz	LEWXNNTUGHYECF-UHFFFAOYSA-N	1	0	227.271	0.693	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@@H]2CCCCO2)c1	ZINC000585143125	344178880	/nfs/dbraw/zinc/17/88/80/344178880.db2.gz	VWWSLQODSAHVOV-LBPRGKRZSA-N	1	0	219.288	0.762	40	30		BCEBRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1OC	ZINC000001410755	346209952	/nfs/dbraw/zinc/20/99/52/346209952.db2.gz	IVDDRZAZZGSXPM-VGOFMYFVSA-N	1	0	236.275	0.911	40	30		BCEBRO
C#CCn1nc(C(F)(F)F)cc1C[NH3+]	ZINC000409443800	350137791	/nfs/dbraw/zinc/13/77/91/350137791.db2.gz	ULLOKBKFFDJYIP-UHFFFAOYSA-N	1	0	203.167	0.994	40	30		BCEBRO
N#Cc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1	ZINC000050242281	350192584	/nfs/dbraw/zinc/19/25/84/350192584.db2.gz	QPFJWQYPUISTDR-LBPRGKRZSA-N	1	0	229.283	0.774	40	30		BCEBRO
C[NH+]=C(NC1CC1)N[C@H]1C[C@H]2CC[C@@H]1O2	ZINC000159825623	187471140	/nfs/dbraw/zinc/47/11/40/187471140.db2.gz	NRASPWHKAMRZEF-UTLUCORTSA-N	1	0	209.293	0.634	40	30		BCEBRO
C=CC[NH+](CC=C)[C@@H]1CCO[C@@H](OC)[C@H]1O	ZINC000005662564	166338252	/nfs/dbraw/zinc/33/82/52/166338252.db2.gz	UHIBOCYMIIIVGS-GRYCIOLGSA-N	1	0	227.304	0.783	40	30		BCEBRO
CN(C)c1ccc(/C=N\NC(N)=S)cc1	ZINC000012410154	188105493	/nfs/dbraw/zinc/10/54/93/188105493.db2.gz	MUDHKEQEBJQRRG-GHXNOFRVSA-N	1	0	222.317	0.920	40	30		BCEBRO
N#Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000090320831	181098320	/nfs/dbraw/zinc/09/83/20/181098320.db2.gz	HHYOHIHMSJZYAP-BETUJISGSA-N	1	0	241.294	0.850	40	30		BCEBRO
N/C(CN1CCc2sccc2C1)=N\O	ZINC000019802581	181182351	/nfs/dbraw/zinc/18/23/51/181182351.db2.gz	MJJBODLTYDWZEG-UHFFFAOYSA-N	1	0	211.290	0.853	40	30		BCEBRO
N#Cc1ccc(CN2CCO[C@H](C[NH3+])C2)cc1	ZINC000016083136	356746198	/nfs/dbraw/zinc/74/61/98/356746198.db2.gz	ODYRBQWYNNOGQN-CYBMUJFWSA-N	1	0	231.299	0.718	40	30		BCEBRO
N#Cc1ccc(C(=O)CN2CC[NH2+]CC2)cc1	ZINC000050145299	357383061	/nfs/dbraw/zinc/38/30/61/357383061.db2.gz	FOBOVSOWJJHSKN-UHFFFAOYSA-N	1	0	229.283	0.646	40	30		BCEBRO
NC(=[NH2+])NN=Cc1ccc2c(c1)OCO2	ZINC000031647764	181323064	/nfs/dbraw/zinc/32/30/64/181323064.db2.gz	FVNHMHIVPIUGPW-QCDXTXTGSA-N	1	0	206.205	0.023	40	30		BCEBRO
c1cn([C@@H]2CCC[N@@H+](C[C@H]3CO3)C2)cn1	ZINC000110751694	369974335	/nfs/dbraw/zinc/97/43/35/369974335.db2.gz	RATGRHCNHVZZBP-MNOVXSKESA-N	1	0	207.277	0.919	40	30		BCEBRO
O=C(C[n+]1ccc(/C=N\O)cc1)N1CCCCC1	ZINC000001804423	182033174	/nfs/dbraw/zinc/03/31/74/182033174.db2.gz	ZBPKQXUCWINKHF-UHFFFAOYSA-O	1	0	248.306	0.795	40	30		BCEBRO
CCCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O	ZINC000040163989	169183667	/nfs/dbraw/zinc/18/36/67/169183667.db2.gz	PNIVCKJEMDGTSK-XNTDXEJSSA-N	1	0	245.286	0.630	40	30		BCEBRO
CCOc1cc(C=NNC(N)=[NH2+])ccc1O	ZINC000095952331	384419185	/nfs/dbraw/zinc/41/91/85/384419185.db2.gz	HEIPQBIBMIFYSM-MLPAPPSSSA-N	1	0	222.248	0.608	40	30		BCEBRO
C=CCOC[C@@H](O)C[NH2+]CCCOC	ZINC000006385360	385102051	/nfs/dbraw/zinc/10/20/51/385102051.db2.gz	CXSBSKBVZXLJQP-JTQLQIEISA-N	1	0	203.282	0.176	40	30		BCEBRO
N=C(NC(=[NH2+])CN)Nc1cc(F)ccc1F	ZINC000064220255	385248791	/nfs/dbraw/zinc/24/87/91/385248791.db2.gz	HADBWNZFFBKHGW-UHFFFAOYSA-N	1	0	227.218	0.627	40	30		BCEBRO
C=C1C[C@@H](CO)C[C@@]1(C[NH3+])S(=O)(=O)CC	ZINC000096532393	385283140	/nfs/dbraw/zinc/28/31/40/385283140.db2.gz	BAWKIAYJNWBTLK-ZJUUUORDSA-N	1	0	233.333	0.077	40	30		BCEBRO
O=C([C@H]1CCC[N@@H+]1C[C@H]1CO1)N1CCCC1	ZINC000242548907	388399728	/nfs/dbraw/zinc/39/97/28/388399728.db2.gz	MATLRTAMGIUQCF-WDEREUQCSA-N	1	0	224.304	0.472	40	30		BCEBRO
C[C@]12NC(=O)C[N@@+]1(C)CCc1ccccc12	ZINC000247537276	388666499	/nfs/dbraw/zinc/66/64/99/388666499.db2.gz	ANAIJIRDHVVGNS-DZGCQCFKSA-O	1	0	217.292	0.992	40	30		BCEBRO
CCOC(=O)C[N+](C)(C)CCOC(C)=O	ZINC000001663933	170234549	/nfs/dbraw/zinc/23/45/49/170234549.db2.gz	QEUQTLAJIXTLRS-UHFFFAOYSA-N	1	0	218.273	0.189	40	30		BCEBRO
CNC(NC[C@H]1CN2CCCC[C@H]2CO1)=[NH+]C	ZINC000253370052	524038595	/nfs/dbraw/zinc/03/85/95/524038595.db2.gz	LKHXPIBXTGKROG-QWRGUYRKSA-N	1	0	240.351	0.035	40	30		BCEBRO
O=C([C@@H]1CCC[N@@H+]1C[C@H]1CO1)N1CCCCC1	ZINC000252486774	259326343	/nfs/dbraw/zinc/32/63/43/259326343.db2.gz	NCYMFWSTTPFFTI-RYUDHWBXSA-N	1	0	238.331	0.862	40	30		BCEBRO
C[C@H]([NH3+])C(=O)NCc1cccc(C#N)c1	ZINC000037748650	343311575	/nfs/dbraw/zinc/31/15/75/343311575.db2.gz	YYUXMWAXWYZSAM-QMMMGPOBSA-N	1	0	203.245	0.522	40	30		BCEBRO
C=CCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1	ZINC000040490842	343784052	/nfs/dbraw/zinc/78/40/52/343784052.db2.gz	UBJJRSQFXFSCKB-GFCCVEGCSA-N	1	0	237.347	0.316	40	30		BCEBRO
N#CC1CCN(c2cc(N)ncn2)CC1	ZINC000308831356	343790140	/nfs/dbraw/zinc/79/01/40/343790140.db2.gz	JOMWJBLFOIBBSM-UHFFFAOYSA-N	1	0	203.249	0.799	40	30		BCEBRO
N#CC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1	ZINC000409427821	343801894	/nfs/dbraw/zinc/80/18/94/343801894.db2.gz	LBENYHBOQLGHOS-LLVKDONJSA-N	1	0	221.304	0.748	40	30		BCEBRO
N#CCC(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000409435543	343833610	/nfs/dbraw/zinc/83/36/10/343833610.db2.gz	VIZYXNGDFFDZCH-UHFFFAOYSA-N	1	0	230.271	0.644	40	30		BCEBRO
C#CCn1nc2c(c1CC[NH3+])CSCC2	ZINC000409438997	343846118	/nfs/dbraw/zinc/84/61/18/343846118.db2.gz	NMBUCJZEZIXNPR-UHFFFAOYSA-N	1	0	221.329	0.807	40	30		BCEBRO
C#CCn1cc(C(N)=[NH2+])c(-c2cccnc2)n1	ZINC000409437873	343849390	/nfs/dbraw/zinc/84/93/90/343849390.db2.gz	JMPJTAOYJBIAEV-UHFFFAOYSA-N	1	0	225.255	0.862	40	30		BCEBRO
C#Cc1cnc(N2CCC[N@@H+](C)CC2)nc1	ZINC000585144604	343879421	/nfs/dbraw/zinc/87/94/21/343879421.db2.gz	XDEAJMYEBSTIMB-UHFFFAOYSA-N	1	0	216.288	0.600	40	30		BCEBRO
COc1ccc([C@H](C#N)N2CC([NH3+])C2)cc1	ZINC000409442613	343857771	/nfs/dbraw/zinc/85/77/71/343857771.db2.gz	YCTNRXLRKOTJQY-LBPRGKRZSA-N	1	0	217.272	0.903	40	30		BCEBRO
[NH3+]Cc1cncc(C#CCN2CCCC2=O)c1	ZINC000585145313	344180421	/nfs/dbraw/zinc/18/04/21/344180421.db2.gz	MMGYVDNVRCBZDO-UHFFFAOYSA-N	1	0	229.283	0.514	40	30		BCEBRO
[NH3+]CCCCCC(=O)ON1C(=O)CCC1=O	ZINC000114461686	344687248	/nfs/dbraw/zinc/68/72/48/344687248.db2.gz	GJKXWRWXHBAIHW-UHFFFAOYSA-N	1	0	228.248	0.113	40	30		BCEBRO
C=CC[N+]12CN3C[C@](C)(C1)C(=O)[C@@](C)(C3)C2	ZINC000019325417	188414752	/nfs/dbraw/zinc/41/47/52/188414752.db2.gz	RKBLSHGWYZHTDV-NNQSOWQGSA-N	1	0	221.324	0.871	40	30		BCEBRO
N#Cc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1	ZINC000096081795	188501331	/nfs/dbraw/zinc/50/13/31/188501331.db2.gz	LKGHYTWZIRZPOI-UONOGXRCSA-N	1	0	243.310	0.731	40	30		BCEBRO
N#Cc1nccnc1OC[C@@H]1CCC[NH2+]C1	ZINC000054378966	181175093	/nfs/dbraw/zinc/17/50/93/181175093.db2.gz	CXKXGHGTGCYKSL-SECBINFHSA-N	1	0	218.260	0.727	40	30		BCEBRO
CCS(=O)(=O)C1(C#N)CC[NH2+]CC1	ZINC000217928840	388574609	/nfs/dbraw/zinc/57/46/09/388574609.db2.gz	RWFWXRCQXFFIJZ-UHFFFAOYSA-N	1	0	202.279	0.067	40	30		BCEBRO
CN(C)CC[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000022584088	388835612	/nfs/dbraw/zinc/83/56/12/388835612.db2.gz	AETICDRRRIPJNL-UHFFFAOYSA-N	1	0	246.314	0.648	40	30		BCEBRO
C[C@H]1CN(c2ccc(C#N)cn2)CC[NH2+]1	ZINC000052783322	132362501	/nfs/dbraw/zinc/36/25/01/132362501.db2.gz	USAKGOYBWIQOPV-VIFPVBQESA-N	1	0	202.261	0.751	40	30		BCEBRO
N#Cc1ccnc(N2CCC[C@H]([NH3+])C2)c1	ZINC000040434862	132347656	/nfs/dbraw/zinc/34/76/56/132347656.db2.gz	RYABWHMINFFDRT-JTQLQIEISA-N	1	0	202.261	0.881	40	30		BCEBRO
CC[N@@H+]1CC[C@@H](COS(C)(=O)=O)C1	ZINC000039320976	170010429	/nfs/dbraw/zinc/01/04/29/170010429.db2.gz	WMYXUONJISVSQZ-MRVPVSSYSA-N	1	0	207.295	0.304	40	30		BCEBRO
CCn1c(C#N)cc(N)c1N1CC[NH+](C)CC1	ZINC000225868937	172133297	/nfs/dbraw/zinc/13/32/97/172133297.db2.gz	KSWQZVNIUSYZBO-UHFFFAOYSA-N	1	0	233.319	0.714	40	30		BCEBRO
CN(C)/C=[NH+]/CCNc1ccc([N+](=O)[O-])cn1	ZINC000016999915	172352108	/nfs/dbraw/zinc/35/21/08/172352108.db2.gz	KMRSOZZRJODKGC-DHZHZOJOSA-N	1	0	237.263	0.992	40	30		BCEBRO
CCN(CC)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000242723210	491121740	/nfs/dbraw/zinc/12/17/40/491121740.db2.gz	YGUBCZRDZZKDSF-NEPJUHHUSA-N	1	0	240.347	0.966	40	30		BCEBRO
C[C@@H](O)C[NH2+]CCNCC#Cc1ccccc1	ZINC000022075927	136278067	/nfs/dbraw/zinc/27/80/67/136278067.db2.gz	KNOOBVTYKNXGFS-CYBMUJFWSA-N	1	0	232.327	0.598	40	30		BCEBRO
N/C(CN1CCC([NH+]2CCCCC2)CC1)=N/O	ZINC000040694062	343784030	/nfs/dbraw/zinc/78/40/30/343784030.db2.gz	YNDBZEVBWKRADJ-UHFFFAOYSA-N	1	0	240.351	0.683	40	30		BCEBRO
N#CCC(=O)N1CC[NH+](C2CCC2)CC1	ZINC000335888753	343791078	/nfs/dbraw/zinc/79/10/78/343791078.db2.gz	SHPOLJKABUVDFJ-UHFFFAOYSA-N	1	0	207.277	0.597	40	30		BCEBRO
COC[C@H]1CCC[N@H+](C/C(N)=N/O)C1	ZINC000234728261	343795053	/nfs/dbraw/zinc/79/50/53/343795053.db2.gz	BYKOQDNTKLIEAL-QMMMGPOBSA-N	1	0	201.270	0.091	40	30		BCEBRO
N#CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	ZINC000409425535	343819678	/nfs/dbraw/zinc/81/96/78/343819678.db2.gz	ABYKIFPGKKHQNV-JTQLQIEISA-N	1	0	207.277	0.501	40	30		BCEBRO
CCN(CC)C(=O)Cn1cc(C#CC[NH3+])cn1	ZINC000585142729	343876990	/nfs/dbraw/zinc/87/69/90/343876990.db2.gz	CNSGUHXVXQDFID-UHFFFAOYSA-N	1	0	234.303	0.062	40	30		BCEBRO
N#C[C@@H](c1ccncc1)N1CC(C[NH3+])C1	ZINC000409441603	343859865	/nfs/dbraw/zinc/85/98/65/343859865.db2.gz	PZNYJMUXIJSOCV-NSHDSACASA-N	1	0	202.261	0.537	40	30		BCEBRO
C#CCn1nc(C(F)(F)F)cc1C(N)=[NH2+]	ZINC000409443081	343865554	/nfs/dbraw/zinc/86/55/54/343865554.db2.gz	GPWJFMYIWBIYEJ-UHFFFAOYSA-N	1	0	216.166	0.819	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@@H]2CCOC2)c1	ZINC000585143119	344178737	/nfs/dbraw/zinc/17/87/37/344178737.db2.gz	VOLRXYVYRVQTFT-NSHDSACASA-N	1	0	205.261	0.230	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@H]2CCCCO2)c1	ZINC000585143124	344178926	/nfs/dbraw/zinc/17/89/26/344178926.db2.gz	VWWSLQODSAHVOV-GFCCVEGCSA-N	1	0	219.288	0.762	40	30		BCEBRO
CCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O	ZINC000006496972	347339838	/nfs/dbraw/zinc/33/98/38/347339838.db2.gz	LXSOLMJTVLVVGL-NTEUORMPSA-N	1	0	231.259	0.240	40	30		BCEBRO
N#Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1	ZINC000050228658	181135499	/nfs/dbraw/zinc/13/54/99/181135499.db2.gz	KERAIYKIFPRACY-NSHDSACASA-N	1	0	215.256	0.731	40	30		BCEBRO
N#Cc1nccnc1OC[C@H]1CCCC[NH2+]1	ZINC000054378969	181174790	/nfs/dbraw/zinc/17/47/90/181174790.db2.gz	OUBKLWIIIJYIPG-SECBINFHSA-N	1	0	218.260	0.869	40	30		BCEBRO
NC(=O)C=C(N)[NH2+]Nc1ccccc1[N+](=O)[O-]	ZINC000016450231	181214058	/nfs/dbraw/zinc/21/40/58/181214058.db2.gz	YNWGWQMTYKIBFD-UHFFFAOYSA-N	1	0	237.219	0.154	40	30		BCEBRO
C[C@H]([NH3+])C(=O)NCc1ccc(C#N)cc1	ZINC000037748543	364573141	/nfs/dbraw/zinc/57/31/41/364573141.db2.gz	AZPXLGIOKIAZDP-QMMMGPOBSA-N	1	0	203.245	0.522	40	30		BCEBRO
N#Cc1ccc(C(=O)CN2CC([NH3+])C2)cc1	ZINC000409423879	369975551	/nfs/dbraw/zinc/97/55/51/369975551.db2.gz	QXMNWERMEPOIFH-UHFFFAOYSA-N	1	0	215.256	0.384	40	30		BCEBRO
O=[N+]([O-])c1ccc(C[N+](=O)CCO)o1	ZINC000100091989	182928700	/nfs/dbraw/zinc/92/87/00/182928700.db2.gz	QSWZUVFMUIEHAG-UHFFFAOYSA-N	1	0	200.150	0.109	40	30		BCEBRO
CSC(=S)NN=CC(C)=NNC(N)=[NH2+]	ZINC000017063140	384479916	/nfs/dbraw/zinc/47/99/16/384479916.db2.gz	IMGRRXYLKYLXEB-UIYSNZQUSA-N	1	0	232.338	0.069	40	30		BCEBRO
C[N+](N=CC=Cc1ccccc1)=C(N)N	ZINC000100930445	384658693	/nfs/dbraw/zinc/65/86/93/384658693.db2.gz	KIPZDZZWCURESZ-KBEUXKDCSA-O	1	0	203.269	0.601	40	30		BCEBRO
C[NH+]1CCC(=NN2C(=O)CSC2=S)CC1	ZINC000059116120	385039918	/nfs/dbraw/zinc/03/99/18/385039918.db2.gz	PTHASUXYRSZVKP-UHFFFAOYSA-N	1	0	243.357	0.928	40	30		BCEBRO
C=CC[NH2+]Cc1cnc(N2CCOCC2)nc1	ZINC000062717763	385042093	/nfs/dbraw/zinc/04/20/93/385042093.db2.gz	ZXAHWWXZSFAGPX-UHFFFAOYSA-N	1	0	234.303	0.589	40	30		BCEBRO
COc1cc(C(N)=[NH+]N)cc(OC)c1OC	ZINC000088383585	385108615	/nfs/dbraw/zinc/10/86/15/385108615.db2.gz	RBLAIVKSGXZFFZ-UHFFFAOYSA-N	1	0	225.248	0.291	40	30		BCEBRO
c1cn([C@H]2CCC[N@@H+](C[C@H]3CO3)C2)cn1	ZINC000216547372	386024377	/nfs/dbraw/zinc/02/43/77/386024377.db2.gz	RATGRHCNHVZZBP-QWRGUYRKSA-N	1	0	207.277	0.919	40	30		BCEBRO
C=C1C[C@@H](S(=O)(=O)CC)C[C@@]1(C[NH3+])CO	ZINC000096532484	256646204	/nfs/dbraw/zinc/64/62/04/256646204.db2.gz	PIBXNLQULRIWTI-NXEZZACHSA-N	1	0	233.333	0.077	40	30		BCEBRO
CC(C)(C#N)N(O)C=C[N+](=O)C(C)(C)C#N	ZINC000002294747	388593171	/nfs/dbraw/zinc/59/31/71/388593171.db2.gz	NHBJWTRJPFBPNA-GFIWHYBVSA-N	1	0	222.248	0.753	40	30		BCEBRO
C#CCNC(N[C@@H]1C[C@H]2CC[C@@H]1O2)=[NH+]CC	ZINC000195546234	166171317	/nfs/dbraw/zinc/17/13/17/166171317.db2.gz	UAOOXVKCICBQQY-MXWKQRLJSA-N	1	0	221.304	0.495	40	30		BCEBRO
C=CC[NH+](CC=C)[C@@H]1CCO[C@H](OC)[C@H]1O	ZINC000005662563	166336877	/nfs/dbraw/zinc/33/68/77/166336877.db2.gz	UHIBOCYMIIIVGS-WOPDTQHZSA-N	1	0	227.304	0.783	40	30		BCEBRO
CN(/N=C/c1ccccn1)C1=[NH+]CCN1	ZINC000001643163	172291355	/nfs/dbraw/zinc/29/13/55/172291355.db2.gz	XLZDQPPQHAVPIQ-RIYZIHGNSA-N	1	0	203.249	0.307	40	30		BCEBRO
CNC(=[NH2+])NN=C1c2ccccc2NC1=O	ZINC000001859969	173209805	/nfs/dbraw/zinc/20/98/05/173209805.db2.gz	QBOACTSVOUVPSW-UHFFFAOYSA-N	1	0	217.232	0.087	40	30		BCEBRO
COc1cccc(C=NNC(N)N=O)c1	ZINC000031772006	175241497	/nfs/dbraw/zinc/24/14/97/175241497.db2.gz	MCJKWMPWVUMPHE-WDZFZDKYSA-N	1	0	208.221	0.532	40	30		BCEBRO
C[C@H]([NH3+])C(=O)N(C)Cc1cccc(C#N)c1	ZINC000037807947	176745498	/nfs/dbraw/zinc/74/54/98/176745498.db2.gz	RAQPZCDRRBSPGY-VIFPVBQESA-N	1	0	217.272	0.864	40	30		BCEBRO
Cc1cc(N2CC[NH2+]CC2)ncc1/C=N/O	ZINC000072223566	259321594	/nfs/dbraw/zinc/32/15/94/259321594.db2.gz	LBUURSHNVNKPDQ-RIYZIHGNSA-N	1	0	220.276	0.608	40	30		BCEBRO
Cc1cc(/[NH+]=C\N(C)C)n2ncnc2n1	ZINC000015226806	342893525	/nfs/dbraw/zinc/89/35/25/342893525.db2.gz	LZKSOBSZDNPIBY-WDZFZDKYSA-N	1	0	204.237	0.654	40	30		BCEBRO
Cn1c2ccccc2ccc1=NNC(N)=[NH2+]	ZINC000018178858	342933621	/nfs/dbraw/zinc/93/36/21/342933621.db2.gz	BHUQWXAHEYTYPY-GXDHUFHOSA-N	1	0	215.260	0.267	40	30		BCEBRO
Cc1cc(C)nc(NC(=[NH2+])NC[C@H]2CCCO2)n1	ZINC000013610680	346960624	/nfs/dbraw/zinc/96/06/24/346960624.db2.gz	XYBKVXDRNYJIDD-SNVBAGLBSA-N	1	0	249.318	0.808	40	30		BCEBRO
N#CC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1	ZINC000409428319	343803251	/nfs/dbraw/zinc/80/32/51/343803251.db2.gz	MLENOWFOAKPWGN-NSHDSACASA-N	1	0	221.304	0.891	40	30		BCEBRO
C#CCn1nc2c(c1CC[NH3+])CCCC2	ZINC000409436931	343841700	/nfs/dbraw/zinc/84/17/00/343841700.db2.gz	CMFAVAWUEGVEGW-UHFFFAOYSA-N	1	0	203.289	0.896	40	30		BCEBRO
[NH3+]CC#Cc1cc(C(F)(F)F)ncn1	ZINC000585144816	343880100	/nfs/dbraw/zinc/88/01/00/343880100.db2.gz	HNYYMCPGPBHTEZ-UHFFFAOYSA-N	1	0	201.151	0.806	40	30		BCEBRO
[NH3+]CC#Cc1cnn(C[C@H]2CCCOC2)c1	ZINC000585142737	344175799	/nfs/dbraw/zinc/17/57/99/344175799.db2.gz	AFQUGXNFEKCWKM-GFCCVEGCSA-N	1	0	219.288	0.620	40	30		BCEBRO
C=CCN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1	ZINC000040490844	352597286	/nfs/dbraw/zinc/59/72/86/352597286.db2.gz	VYSZRPNGNJTMHX-LBPRGKRZSA-N	1	0	237.347	0.459	40	30		BCEBRO
C=CC[NH2+]C[C@@H]1O[C@H](OC)[C@@H]2OC(C)(C)O[C@@H]21	ZINC000005024049	187874831	/nfs/dbraw/zinc/87/48/31/187874831.db2.gz	LGBOXHJCVMWFNE-ZDCRXTMVSA-N	1	0	243.303	0.653	40	30		BCEBRO
C=C1C[C@H](S(=O)(=O)CC)C[C@]1(C[NH3+])CO	ZINC000096532482	188584045	/nfs/dbraw/zinc/58/40/45/188584045.db2.gz	PIBXNLQULRIWTI-UWVGGRQHSA-N	1	0	233.333	0.077	40	30		BCEBRO
N#Cc1nccnc1O[C@H]1CCC[NH2+]C1	ZINC000054378965	181175235	/nfs/dbraw/zinc/17/52/35/181175235.db2.gz	ZXQPUTLHXJSNIP-QMMMGPOBSA-N	1	0	204.233	0.479	40	30		BCEBRO
CC[NH+](CC)CCn1cnc(C#N)c1N	ZINC000001573406	356966115	/nfs/dbraw/zinc/96/61/15/356966115.db2.gz	YWPVDSSUVQDXJW-UHFFFAOYSA-N	1	0	207.281	0.679	40	30		BCEBRO
NC(N)=[NH+]NSc1ccccc1[N+](=O)[O-]	ZINC000006343816	181323199	/nfs/dbraw/zinc/32/31/99/181323199.db2.gz	JHGCBYZAVNFAMJ-UHFFFAOYSA-N	1	0	227.249	0.380	40	30		BCEBRO
C[N+]1(C2C(=O)C(F)(F)C2=O)CCOCC1	ZINC000001643028	383914859	/nfs/dbraw/zinc/91/48/59/383914859.db2.gz	YYTREAWUHSHLOC-UHFFFAOYSA-O	1	0	220.195	0.451	40	30		BCEBRO
C=C(Br)CNC(=O)C[NH2+]C	ZINC000096528147	385274622	/nfs/dbraw/zinc/27/46/22/385274622.db2.gz	HNJAPHBBBVFPPI-UHFFFAOYSA-N	1	0	207.071	0.231	40	30		BCEBRO
O=C([C@H]1CCCC[N@@H+]1C[C@H]1CO1)N1CCCC1	ZINC000252486232	388653376	/nfs/dbraw/zinc/65/33/76/388653376.db2.gz	GYYUVPZHYSIIAV-NWDGAFQWSA-N	1	0	238.331	0.862	40	30		BCEBRO
C#CCN1c2ccc(OCC[NH3+])cc2CCC1=O	ZINC000218800687	132290604	/nfs/dbraw/zinc/29/06/04/132290604.db2.gz	SBOUGEKKFOLYRH-UHFFFAOYSA-N	1	0	244.294	0.937	40	30		BCEBRO
C=CC[NH+](CC=C)[C@@H]1CCO[C@H](OC)[C@@H]1O	ZINC000001590295	166337042	/nfs/dbraw/zinc/33/70/42/166337042.db2.gz	UHIBOCYMIIIVGS-UTUOFQBUSA-N	1	0	227.304	0.783	40	30		BCEBRO
C=CCN1CC[N@@H+](CCO)Cc2cccnc21	ZINC000096260849	166357181	/nfs/dbraw/zinc/35/71/81/166357181.db2.gz	NDWWZDDAPGYCHD-UHFFFAOYSA-N	1	0	233.315	0.882	40	30		BCEBRO
CCC(Cc1ccc(O)cc1)N=NC(N)=[NH2+]	ZINC000017328628	167827806	/nfs/dbraw/zinc/82/78/06/167827806.db2.gz	ITHCATXTPWFERY-ZROIWOOFSA-N	1	0	220.276	0.974	40	30		BCEBRO
CN(/N=C/c1ccccn1)C1=[NH+]CCCN1	ZINC000001643162	172291976	/nfs/dbraw/zinc/29/19/76/172291976.db2.gz	ZQPJRZZFFOUVAW-OQLLNIDSSA-N	1	0	217.276	0.697	40	30		BCEBRO
CN(C)C(=[NH2+])Nc1ncc2c(n1)CCCC2=O	ZINC000020636654	172350316	/nfs/dbraw/zinc/35/03/16/172350316.db2.gz	GDFOWIQGBQULRT-UHFFFAOYSA-N	1	0	233.275	0.503	40	30		BCEBRO