smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc2c1CC[N@@H+](CCCCC#N)C2	ZINC000072267652	343114557	/nfs/dbraw/zinc/11/45/57/343114557.db2.gz	DKDRYMNHDUMMEH-UHFFFAOYSA-N	1	1	218.304	1.472	50	30		BDEAMO
C#CC[N@@H+](CCc1ccncc1)CC1CC1	ZINC000095435410	187361548	/nfs/dbraw/zinc/36/15/48/187361548.db2.gz	KBWVFUYIGOJJLD-UHFFFAOYSA-N	1	1	214.312	1.969	50	30		BDEAMO
C#CCN1CC[NH+](Cc2ccsc2)CC1	ZINC000052711920	323194797	/nfs/dbraw/zinc/19/47/97/323194797.db2.gz	SHVDCIFKARQPHT-UHFFFAOYSA-N	1	1	220.341	1.499	50	30		BDEAMO
C=CC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1	ZINC000053441948	166320025	/nfs/dbraw/zinc/32/00/25/166320025.db2.gz	FMFZTZPWSGCHOU-UHFFFAOYSA-N	1	1	223.272	1.992	50	30		BDEAMO
C=CC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1	ZINC000053441948	166320027	/nfs/dbraw/zinc/32/00/27/166320027.db2.gz	FMFZTZPWSGCHOU-UHFFFAOYSA-N	1	1	223.272	1.992	50	30		BDEAMO
C[N@@H+](CCC(N)=O)Cc1cc(C#N)ccc1F	ZINC000030536677	350372993	/nfs/dbraw/zinc/37/29/93/350372993.db2.gz	BAHZWFQQZAQFOE-UHFFFAOYSA-N	1	1	235.262	1.005	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)CC1CCCCC1	ZINC000044000000	352109359	/nfs/dbraw/zinc/10/93/59/352109359.db2.gz	FVXPIARQXURDAB-UHFFFAOYSA-N	1	1	222.332	1.248	50	30		BDEAMO
C#CC[N@@H+](Cc1ccccc1)[C@H](C)CO	ZINC000096441570	188017086	/nfs/dbraw/zinc/01/70/86/188017086.db2.gz	FXEVGDQFHRNURZ-GFCCVEGCSA-N	1	1	203.285	1.503	50	30		BDEAMO
N#Cc1ccc2c(C[NH+]3CCOCC3)c[nH]c2c1	ZINC000259444912	181131165	/nfs/dbraw/zinc/13/11/65/181131165.db2.gz	NIUDIKCRIRDALN-UHFFFAOYSA-N	1	1	241.294	1.872	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1	ZINC000016431829	355887761	/nfs/dbraw/zinc/88/77/61/355887761.db2.gz	XZZBPDVZSHDXND-NSHDSACASA-N	1	1	248.301	1.568	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1	ZINC000016431829	355887763	/nfs/dbraw/zinc/88/77/63/355887763.db2.gz	XZZBPDVZSHDXND-NSHDSACASA-N	1	1	248.301	1.568	50	30		BDEAMO
CC(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1	ZINC000007443043	361710213	/nfs/dbraw/zinc/71/02/13/361710213.db2.gz	SNCVILCQIJCGEI-UHFFFAOYSA-N	1	1	231.299	1.254	50	30		BDEAMO
Cc1[nH]c(CN(C)C[C@@H]2CCC[N@H+]2C)cc1C#N	ZINC000584893683	369040732	/nfs/dbraw/zinc/04/07/32/369040732.db2.gz	YZBWVCRIZDJYNP-AWEZNQCLSA-N	1	1	246.358	1.721	50	30		BDEAMO
N#CCC[N@@H+]1CCCC[C@H]1Cn1cccn1	ZINC000071876973	374319974	/nfs/dbraw/zinc/31/99/74/374319974.db2.gz	RZVYYQIILVRQNB-LBPRGKRZSA-N	1	1	218.304	1.651	50	30		BDEAMO
N#CCC[N@H+]1CCCC[C@H]1Cn1cccn1	ZINC000071876973	374319979	/nfs/dbraw/zinc/31/99/79/374319979.db2.gz	RZVYYQIILVRQNB-LBPRGKRZSA-N	1	1	218.304	1.651	50	30		BDEAMO
C=CCn1cc([C@H]2[NH2+]CCc3nc[nH]c32)cn1	ZINC000067954605	384084027	/nfs/dbraw/zinc/08/40/27/384084027.db2.gz	HEDYPXJPVKMGOI-LLVKDONJSA-N	1	1	229.287	1.027	50	30		BDEAMO
C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cccc(C#N)c1	ZINC000097034513	384547476	/nfs/dbraw/zinc/54/74/76/384547476.db2.gz	IIRPFEJBJOXGEY-FZMZJTMJSA-N	1	1	247.342	1.131	50	30		BDEAMO
CC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC000072312162	385186495	/nfs/dbraw/zinc/18/64/95/385186495.db2.gz	DXKPTMKWAJWLIW-UHFFFAOYSA-N	1	1	246.314	1.100	50	30		BDEAMO
COC[C@H]1C[N@H+](CCCC#N)C[C@H](C)O1	ZINC000189423203	385186871	/nfs/dbraw/zinc/18/68/71/385186871.db2.gz	GYKFUKQHHFTXJL-WDEREUQCSA-N	1	1	212.293	1.026	50	30		BDEAMO
COC[C@H]1C[N@@H+](CCCC#N)C[C@H](C)O1	ZINC000189423203	385186878	/nfs/dbraw/zinc/18/68/78/385186878.db2.gz	GYKFUKQHHFTXJL-WDEREUQCSA-N	1	1	212.293	1.026	50	30		BDEAMO
CCO[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O	ZINC000222802854	385744825	/nfs/dbraw/zinc/74/48/25/385744825.db2.gz	VNBDXKAIGUJDEQ-KBPBESRZSA-N	1	1	246.310	1.140	50	30		BDEAMO
CCO[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O	ZINC000222802854	385744832	/nfs/dbraw/zinc/74/48/32/385744832.db2.gz	VNBDXKAIGUJDEQ-KBPBESRZSA-N	1	1	246.310	1.140	50	30		BDEAMO
Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)cn1	ZINC000026256810	387033628	/nfs/dbraw/zinc/03/36/28/387033628.db2.gz	FCMDFEXVBFGFFF-UHFFFAOYSA-N	1	1	240.310	1.924	50	30		BDEAMO
Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1	ZINC000026256810	387033633	/nfs/dbraw/zinc/03/36/33/387033633.db2.gz	FCMDFEXVBFGFFF-UHFFFAOYSA-N	1	1	240.310	1.924	50	30		BDEAMO
Cn1cc(C[N@@H+](C)C[C@H]2CCCO2)cc1C#N	ZINC000191217249	387354638	/nfs/dbraw/zinc/35/46/38/387354638.db2.gz	BAICEOAQZDVLTN-CYBMUJFWSA-N	1	1	233.315	1.508	50	30		BDEAMO
C=CC[C@H](C)[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)OC)C1	ZINC000221785955	387931969	/nfs/dbraw/zinc/93/19/69/387931969.db2.gz	BMMYESWWAKQMGY-QJPTWQEYSA-N	1	1	241.331	1.461	50	30		BDEAMO
CC(C)CCC[N@@H+](C)CCCNC(=O)/C=N/O	ZINC000002899596	388352302	/nfs/dbraw/zinc/35/23/02/388352302.db2.gz	SWUUJKQPUILMTP-GXDHUFHOSA-N	1	1	243.351	1.321	50	30		BDEAMO
Cc1ccc(C=NN2CC[NH+](C)CC2)s1	ZINC000606347371	388389229	/nfs/dbraw/zinc/38/92/29/388389229.db2.gz	QDAPWRSNYSNDMX-UHFFFAOYSA-N	1	1	223.345	1.638	50	30		BDEAMO
C[C@H]1[C@@H]2CCC[N@H+]2CCN1c1ncccc1C#N	ZINC000032581025	132268264	/nfs/dbraw/zinc/26/82/64/132268264.db2.gz	JOHWDQNQNNBMSP-AAEUAGOBSA-N	1	1	242.326	1.626	50	30		BDEAMO
N#CC1CC[NH+](Cc2cccnc2)CC1	ZINC000057875475	134391325	/nfs/dbraw/zinc/39/13/25/134391325.db2.gz	ZUNAPJZLZHZSDO-UHFFFAOYSA-N	1	1	201.273	1.817	50	30		BDEAMO
CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N(CC)CC	ZINC000058185106	398072204	/nfs/dbraw/zinc/07/22/04/398072204.db2.gz	BFEQEGODLFGMMD-GHMZBOCLSA-N	1	1	228.384	1.420	50	30		BDEAMO
C#CC[N@H+](C)[C@H](CCO)c1ccccc1	ZINC000078947767	166161476	/nfs/dbraw/zinc/16/14/76/166161476.db2.gz	ZVOWMMAMMGTCPW-CYBMUJFWSA-N	1	1	203.285	1.675	50	30		BDEAMO
C=CC[N@@H+]1CCSC[C@@H]1CC(=O)OC	ZINC000089400768	166358780	/nfs/dbraw/zinc/35/87/80/166358780.db2.gz	FZIVFNUZTNOOFX-VIFPVBQESA-N	1	1	215.318	1.153	50	30		BDEAMO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000052635496	166389116	/nfs/dbraw/zinc/38/91/16/166389116.db2.gz	SOOIGJOETXGTAK-TUAOUCFPSA-N	1	1	224.348	1.655	50	30		BDEAMO
CC1[N+](=O)C(C(=O)c2ccccc2)N(O)C1(C)C	ZINC000002844828	168138681	/nfs/dbraw/zinc/13/86/81/168138681.db2.gz	ICWCFXRMNPAEHV-LBPRGKRZSA-N	1	1	248.282	1.650	50	30		BDEAMO
CCNC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1	ZINC000015307227	170057180	/nfs/dbraw/zinc/05/71/80/170057180.db2.gz	KSXOTFQYDAHANS-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
CCNC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1	ZINC000015307227	170057181	/nfs/dbraw/zinc/05/71/81/170057181.db2.gz	KSXOTFQYDAHANS-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](C)C#N)C1	ZINC000101539188	170257891	/nfs/dbraw/zinc/25/78/91/170257891.db2.gz	LAXJEOLWXZNHGL-GHMZBOCLSA-N	1	1	224.304	1.421	50	30		BDEAMO
CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)C#N)C1	ZINC000101539188	170257892	/nfs/dbraw/zinc/25/78/92/170257892.db2.gz	LAXJEOLWXZNHGL-GHMZBOCLSA-N	1	1	224.304	1.421	50	30		BDEAMO
CC[C@H](C)NC(=[NH2+])NCCN1CCCC[C@@H]1C	ZINC000069703279	171246533	/nfs/dbraw/zinc/24/65/33/171246533.db2.gz	JMEQWRBUZDSZMA-RYUDHWBXSA-N	1	1	240.395	1.564	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000000435697	173064831	/nfs/dbraw/zinc/06/48/31/173064831.db2.gz	YDPFSXYUVXYZIP-JLHYYAGUSA-N	1	1	248.286	1.176	50	30		BDEAMO
COc1ccc(NC2=[NH+]CCOC2)cc1	ZINC000000225233	175049676	/nfs/dbraw/zinc/04/96/76/175049676.db2.gz	WPLRCBNUDJJXDA-UHFFFAOYSA-N	1	1	206.245	1.345	50	30		BDEAMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC#N	ZINC000076803055	176305965	/nfs/dbraw/zinc/30/59/65/176305965.db2.gz	CURZHJBQZBFQGZ-CYBMUJFWSA-N	1	1	229.327	1.716	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21	ZINC000328586877	518727293	/nfs/dbraw/zinc/72/72/93/518727293.db2.gz	XTHKWFARLYXNLP-HZSPNIEDSA-N	1	1	238.375	1.340	50	30		BDEAMO
Cc1cc(C)nc(NC2=[NH+][C@@H]3CCCC[C@@H]3N2)n1	ZINC000013153390	342864500	/nfs/dbraw/zinc/86/45/00/342864500.db2.gz	KIPAFZNQLYQZBG-PHIMTYICSA-N	1	1	245.330	1.585	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000047979810	187355981	/nfs/dbraw/zinc/35/59/81/187355981.db2.gz	LTQHSXXBOGJJBW-CYBMUJFWSA-N	1	1	236.359	1.801	50	30		BDEAMO
C#CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F	ZINC000229639604	187301653	/nfs/dbraw/zinc/30/16/53/187301653.db2.gz	IHJCHYBXJLDGGH-HTQZYQBOSA-N	1	1	207.195	1.007	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F	ZINC000229639604	187301655	/nfs/dbraw/zinc/30/16/55/187301655.db2.gz	IHJCHYBXJLDGGH-HTQZYQBOSA-N	1	1	207.195	1.007	50	30		BDEAMO
C=C(Br)C[NH2+][C@](C)(CC)C(N)=O	ZINC000095432243	187361673	/nfs/dbraw/zinc/36/16/73/187361673.db2.gz	GEVVYTLWBSBGAP-MRVPVSSYSA-N	1	1	235.125	1.139	50	30		BDEAMO
C=CC[N@H+]1CCCC[C@@H]1Cn1cccn1	ZINC000071875248	166352086	/nfs/dbraw/zinc/35/20/86/166352086.db2.gz	BHLHAPHEEHKUBB-GFCCVEGCSA-N	1	1	205.305	1.924	50	30		BDEAMO
C#CC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1	ZINC000096435747	188016857	/nfs/dbraw/zinc/01/68/57/188016857.db2.gz	LVNWVYPBHDBORS-CQSZACIVSA-N	1	1	217.312	1.984	50	30		BDEAMO
C#CC[N@@H+](CCOC)Cc1cccc(C)n1	ZINC000096441742	188017537	/nfs/dbraw/zinc/01/75/37/188017537.db2.gz	DMXZUFUHUUTEQO-UHFFFAOYSA-N	1	1	218.300	1.472	50	30		BDEAMO
C#CC[N@H+](CCOC)Cc1cccc(C)n1	ZINC000096441742	188017539	/nfs/dbraw/zinc/01/75/39/188017539.db2.gz	DMXZUFUHUUTEQO-UHFFFAOYSA-N	1	1	218.300	1.472	50	30		BDEAMO
C#CC[N@H+](CC#CC)CCc1ccccn1	ZINC000076089663	188049148	/nfs/dbraw/zinc/04/91/48/188049148.db2.gz	GFADQFYCJWJADQ-UHFFFAOYSA-N	1	1	212.296	1.583	50	30		BDEAMO
C#CC[N@@H+](CC#CC)CCc1ccccn1	ZINC000076089663	188049150	/nfs/dbraw/zinc/04/91/50/188049150.db2.gz	GFADQFYCJWJADQ-UHFFFAOYSA-N	1	1	212.296	1.583	50	30		BDEAMO
C#CC[N@@H+](C)Cc1cccc(OC)c1OC	ZINC000058155410	188050211	/nfs/dbraw/zinc/05/02/11/188050211.db2.gz	QDSHESSIOPWLHL-UHFFFAOYSA-N	1	1	219.284	1.769	50	30		BDEAMO
C#CC[N@H+](C)Cc1cccc(OC)c1OC	ZINC000058155410	188050213	/nfs/dbraw/zinc/05/02/13/188050213.db2.gz	QDSHESSIOPWLHL-UHFFFAOYSA-N	1	1	219.284	1.769	50	30		BDEAMO
C=CC[C@@H](C)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000097084413	188051058	/nfs/dbraw/zinc/05/10/58/188051058.db2.gz	OYUOCBIJPCJSRR-RHYQMDGZSA-N	1	1	241.331	1.195	50	30		BDEAMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cncnc1	ZINC000330879409	353190684	/nfs/dbraw/zinc/19/06/84/353190684.db2.gz	XXFYNFNKLUIMOZ-GFCCVEGCSA-N	1	1	248.330	1.656	50	30		BDEAMO
N#CCCC[N@H+]1CCC[C@@H]1Cn1cccn1	ZINC000069950950	181036088	/nfs/dbraw/zinc/03/60/88/181036088.db2.gz	WVBVVQNHERLRDO-GFCCVEGCSA-N	1	1	218.304	1.651	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CO	ZINC000042222035	181144810	/nfs/dbraw/zinc/14/48/10/181144810.db2.gz	HGZKNPKVZCRTHF-AWEZNQCLSA-N	1	1	230.311	1.905	50	30		BDEAMO
[NH2+]=C(NOC(=O)c1ccco1)c1ccccc1	ZINC000018250256	181181116	/nfs/dbraw/zinc/18/11/16/181181116.db2.gz	FAHFPXYENKQFMS-UHFFFAOYSA-N	1	1	230.223	1.757	50	30		BDEAMO
C=CCO[C@H]1CC[N@@H+](CCC2OCCO2)C1	ZINC000125849048	371421250	/nfs/dbraw/zinc/42/12/50/371421250.db2.gz	FXCRSWJIZDZFLF-NSHDSACASA-N	1	1	227.304	1.026	50	30		BDEAMO
C#CCNC(=O)C[N@H+](CCC)Cc1ccccc1	ZINC000040466161	373283988	/nfs/dbraw/zinc/28/39/88/373283988.db2.gz	OXUNCTDEJAFSEY-UHFFFAOYSA-N	1	1	244.338	1.648	50	30		BDEAMO
OCC#CC[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000055208397	183032549	/nfs/dbraw/zinc/03/25/49/183032549.db2.gz	CRQXVIJRCUAAGY-AWEZNQCLSA-N	1	1	230.311	1.604	50	30		BDEAMO
OCC#CC[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000055208397	183032551	/nfs/dbraw/zinc/03/25/51/183032551.db2.gz	CRQXVIJRCUAAGY-AWEZNQCLSA-N	1	1	230.311	1.604	50	30		BDEAMO
C=C(Cl)C[N@H+](CCCCO)C1CC1	ZINC000071921842	384199208	/nfs/dbraw/zinc/19/92/08/384199208.db2.gz	MVVNONCYDMGGOE-UHFFFAOYSA-N	1	1	203.713	1.976	50	30		BDEAMO
CC[C@@H]1C[N@@H+](CC)CCN1c1cncc(C#N)n1	ZINC000518156403	384749061	/nfs/dbraw/zinc/74/90/61/384749061.db2.gz	GFAKAELQWJAZBZ-GFCCVEGCSA-N	1	1	245.330	1.269	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1F	ZINC000191995278	384917591	/nfs/dbraw/zinc/91/75/91/384917591.db2.gz	YDXUDWSUGLDAFV-NSHDSACASA-N	1	1	220.247	1.264	50	30		BDEAMO
C[NH+](C)CCNCC#Cc1ccccc1	ZINC000020215539	386792339	/nfs/dbraw/zinc/79/23/39/386792339.db2.gz	HKIDMEHIYWVXBK-UHFFFAOYSA-N	1	1	202.301	1.189	50	30		BDEAMO
Cn1cc(C[N@@H+](C)C[C@H]2CCOC2)cc1C#N	ZINC000191428393	387397206	/nfs/dbraw/zinc/39/72/06/387397206.db2.gz	ZAFASHWZXFPGKD-LLVKDONJSA-N	1	1	233.315	1.365	50	30		BDEAMO
CC(C)CC(N)=[NH+]OC[C@H](O)COC(C)C	ZINC000089508335	387984498	/nfs/dbraw/zinc/98/44/98/387984498.db2.gz	FHQJAVUXBYPNCL-SNVBAGLBSA-N	1	1	232.324	1.107	50	30		BDEAMO
C[C@@H](O)CC[N@@H+](C)Cc1ccccc1C#N	ZINC000075780374	388661523	/nfs/dbraw/zinc/66/15/23/388661523.db2.gz	KRBSSCVUIPJPLZ-LLVKDONJSA-N	1	1	218.300	1.761	50	30		BDEAMO
Cc1cc(C)c(C#N)c(N2CC[NH+](C)CC2)n1	ZINC000006760207	132318258	/nfs/dbraw/zinc/31/82/58/132318258.db2.gz	IFKFSUSUHXPCKX-UHFFFAOYSA-N	1	1	230.315	1.322	50	30		BDEAMO
CC[C@H]1CN(CCCC#N)CC[N@H+]1C[C@@H](C)O	ZINC000072279715	397991573	/nfs/dbraw/zinc/99/15/73/397991573.db2.gz	PPMRQOXIQLAMKQ-OLZOCXBDSA-N	1	1	239.363	1.067	50	30		BDEAMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCCCC1	ZINC000007016058	167519442	/nfs/dbraw/zinc/51/94/42/167519442.db2.gz	SMUSHFNEKWTHJN-ZDUSSCGKSA-N	1	1	237.347	1.527	50	30		BDEAMO
CC[N@H+]1CCc2[nH]c(=S)c(C#N)cc2C1	ZINC000000497133	170023245	/nfs/dbraw/zinc/02/32/45/170023245.db2.gz	PTTIJZCDPXWXEG-UHFFFAOYSA-N	1	1	219.313	1.994	50	30		BDEAMO
C[NH+](C)/C=C/c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000055526903	172350999	/nfs/dbraw/zinc/35/09/99/172350999.db2.gz	YVOLPLGZGYDRLU-AATRIKPKSA-N	1	1	217.228	1.999	50	30		BDEAMO
C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1	ZINC000089931779	177008488	/nfs/dbraw/zinc/00/84/88/177008488.db2.gz	VMDBIQVSEBIATQ-RWMBFGLXSA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1	ZINC000089931779	177008490	/nfs/dbraw/zinc/00/84/90/177008490.db2.gz	VMDBIQVSEBIATQ-RWMBFGLXSA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1	ZINC000221686916	177008783	/nfs/dbraw/zinc/00/87/83/177008783.db2.gz	VMDBIQVSEBIATQ-YNEHKIRRSA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1	ZINC000221686916	177008784	/nfs/dbraw/zinc/00/87/84/177008784.db2.gz	VMDBIQVSEBIATQ-YNEHKIRRSA-N	1	1	235.331	1.523	50	30		BDEAMO
C=CC[N@@H+]1CCN(Cc2nccn2CC)[C@H](C)C1	ZINC000106660338	518865951	/nfs/dbraw/zinc/86/59/51/518865951.db2.gz	ZOKDKKKHAXEKNI-CYBMUJFWSA-N	1	1	248.374	1.595	50	30		BDEAMO
CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1	ZINC000874435283	590110148	/nfs/dbraw/zinc/11/01/48/590110148.db2.gz	QOUVAVJDRVZFDN-LLVKDONJSA-N	1	1	232.283	1.952	50	30		BDEAMO
CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000874435283	590110151	/nfs/dbraw/zinc/11/01/51/590110151.db2.gz	QOUVAVJDRVZFDN-LLVKDONJSA-N	1	1	232.283	1.952	50	30		BDEAMO
C#C[C@H](CO)[NH2+]Cc1ccc(Cl)s1	ZINC000585117041	961859874	/nfs/dbraw/zinc/85/98/74/961859874.db2.gz	PTBWAQZUFRRMKE-SSDOTTSWSA-N	1	1	215.705	1.485	50	30		BDEAMO
C[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCC1	ZINC000021334595	538934154	/nfs/dbraw/zinc/93/41/54/538934154.db2.gz	WSAPFHVLVJYOAF-GFCCVEGCSA-N	1	1	249.358	1.813	50	30		BDEAMO
C[N@H+]1CC/C(=N\O)[C@H](C2(O)CCCCC2)C1	ZINC000004760192	187247631	/nfs/dbraw/zinc/24/76/31/187247631.db2.gz	AGRSMSSOUFKBIQ-IMTQZCPYSA-N	1	1	226.320	1.464	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@H]1Cn1cccn1	ZINC000071878604	187260474	/nfs/dbraw/zinc/26/04/74/187260474.db2.gz	HEQCYWVRGHMGHL-LBPRGKRZSA-N	1	1	205.305	1.924	50	30		BDEAMO
C[N@@H+](CCCNC(=O)/C=N/O)Cc1ccccc1	ZINC000005033207	344911351	/nfs/dbraw/zinc/91/13/51/344911351.db2.gz	PPYSHLXGFZUNFW-XNTDXEJSSA-N	1	1	249.314	1.085	50	30		BDEAMO
C#CCNC(=O)C[N@H+](CC)Cc1ccccc1	ZINC000040466082	188042436	/nfs/dbraw/zinc/04/24/36/188042436.db2.gz	ACIMGQCDMNGJLG-UHFFFAOYSA-N	1	1	230.311	1.258	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000216282483	538113742	/nfs/dbraw/zinc/11/37/42/538113742.db2.gz	BSQWOAIKHSTTBD-QWHCGFSZSA-N	1	1	234.343	1.390	50	30		BDEAMO
N#C[C@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1	ZINC000048252165	181063493	/nfs/dbraw/zinc/06/34/93/181063493.db2.gz	OZRKCVSFDSKHPT-KGLIPLIRSA-N	1	1	230.311	1.956	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1	ZINC000032668141	181103565	/nfs/dbraw/zinc/10/35/65/181103565.db2.gz	UFYYUGVJLHTOFJ-CYBMUJFWSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1	ZINC000044527872	181104236	/nfs/dbraw/zinc/10/42/36/181104236.db2.gz	UGQRVJNTWRSBII-AWEZNQCLSA-N	1	1	229.327	1.729	50	30		BDEAMO
N#Cc1cccc(NC(=O)C[NH+]2CCCCC2)c1	ZINC000000150520	181140700	/nfs/dbraw/zinc/14/07/00/181140700.db2.gz	VQQHLEJCEMYLIE-UHFFFAOYSA-N	1	1	243.310	1.983	50	30		BDEAMO
C#CC[N@@H+]1[C@H](CO)CSC[C@@H]1c1ccccc1	ZINC000095444026	538605655	/nfs/dbraw/zinc/60/56/55/538605655.db2.gz	SMAIGHQEQSUDMJ-ZIAGYGMSSA-N	1	1	247.363	1.771	50	30		BDEAMO
C#CC[N@H+]1[C@H](CO)CSC[C@@H]1c1ccccc1	ZINC000095444026	538605663	/nfs/dbraw/zinc/60/56/63/538605663.db2.gz	SMAIGHQEQSUDMJ-ZIAGYGMSSA-N	1	1	247.363	1.771	50	30		BDEAMO
NC(=[NH2+])Nc1nc(-c2ccc(F)cc2)cs1	ZINC000020153796	181322841	/nfs/dbraw/zinc/32/28/41/181322841.db2.gz	GAZYMAJQNHBTPM-UHFFFAOYSA-N	1	1	236.275	1.854	50	30		BDEAMO
CC(C)(C=NO)[N+](=O)Cc1ccccc1	ZINC000252611694	364051493	/nfs/dbraw/zinc/05/14/93/364051493.db2.gz	ILQZGEKYGSPTGA-DOHOFKRASA-N	1	1	206.245	1.854	50	30		BDEAMO
Cc1[nH]c(CN(C)C[C@H]2CCC[N@H+]2C)cc1C#N	ZINC000584893684	369040929	/nfs/dbraw/zinc/04/09/29/369040929.db2.gz	YZBWVCRIZDJYNP-CQSZACIVSA-N	1	1	246.358	1.721	50	30		BDEAMO
Cc1cc(C[NH+]2CCC(C#N)CC2)on1	ZINC000057880230	371923526	/nfs/dbraw/zinc/92/35/26/371923526.db2.gz	IASZRBPVUFSZEC-UHFFFAOYSA-N	1	1	205.261	1.719	50	30		BDEAMO
CC[N@@H+]1CCc2c(N)sc(C#N)c2C1	ZINC000039932609	373062884	/nfs/dbraw/zinc/06/28/84/373062884.db2.gz	OIXYJSIKYDIAQD-UHFFFAOYSA-N	1	1	207.302	1.580	50	30		BDEAMO
CC[N@H+]1CCc2c(N)sc(C#N)c2C1	ZINC000039932609	373062892	/nfs/dbraw/zinc/06/28/92/373062892.db2.gz	OIXYJSIKYDIAQD-UHFFFAOYSA-N	1	1	207.302	1.580	50	30		BDEAMO
Cc1ccc([C@@H](C#N)N2CC[NH+](C)CC2)o1	ZINC000028404186	384623642	/nfs/dbraw/zinc/62/36/42/384623642.db2.gz	FDXGXCUTCSLKRY-LLVKDONJSA-N	1	1	219.288	1.400	50	30		BDEAMO
Cc1cc(N(C)C)c(C#N)c(N2CCOCC2)[nH+]1	ZINC000000551106	385496020	/nfs/dbraw/zinc/49/60/20/385496020.db2.gz	MJLFWMQXQFGEIQ-UHFFFAOYSA-N	1	1	246.314	1.164	50	30		BDEAMO
CC(C)(/C=N/O)[N+](=O)Cc1ccccc1	ZINC000100020105	386815842	/nfs/dbraw/zinc/81/58/42/386815842.db2.gz	ILQZGEKYGSPTGA-OYQWPQAFSA-N	1	1	206.245	1.854	50	30		BDEAMO
CCCNC(=O)C[N@H+](C)Cc1cccc(C#N)c1	ZINC000012900345	386857949	/nfs/dbraw/zinc/85/79/49/386857949.db2.gz	JNRHBLOFAPRISV-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
CCCNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1	ZINC000012900345	386857952	/nfs/dbraw/zinc/85/79/52/386857952.db2.gz	JNRHBLOFAPRISV-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
COc1ccc(C=NN2CC[NH+](C)CC2)cc1	ZINC000254735535	388354531	/nfs/dbraw/zinc/35/45/31/388354531.db2.gz	KFEMZYLXBHGTJJ-UHFFFAOYSA-N	1	1	233.315	1.277	50	30		BDEAMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CO)C1	ZINC000245436758	388417493	/nfs/dbraw/zinc/41/74/93/388417493.db2.gz	RDICQQJPNLRXAZ-WCQYABFASA-N	1	1	230.311	1.933	50	30		BDEAMO
Cc1cc(C)c(C(=O)/N=C/N(C)C)c(N)[nH+]1	ZINC000020405518	388765541	/nfs/dbraw/zinc/76/55/41/388765541.db2.gz	CQRBJOJDOXSYPB-AWNIVKPZSA-N	1	1	220.276	1.011	50	30		BDEAMO
C#CC[N@@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072318920	166159035	/nfs/dbraw/zinc/15/90/35/166159035.db2.gz	KGGOMPJCKVFBPO-LLVKDONJSA-N	1	1	217.268	1.391	50	30		BDEAMO
C#CC[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072318920	166159038	/nfs/dbraw/zinc/15/90/38/166159038.db2.gz	KGGOMPJCKVFBPO-LLVKDONJSA-N	1	1	217.268	1.391	50	30		BDEAMO
C=CCN1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000069840628	166356748	/nfs/dbraw/zinc/35/67/48/166356748.db2.gz	OPZOKQKAKRQNBX-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CC[N@H+]1CCN(Cc2nccn2C)[C@H](C)C1	ZINC000069459736	166357117	/nfs/dbraw/zinc/35/71/17/166357117.db2.gz	OVZXYMVXMGBGOV-GFCCVEGCSA-N	1	1	234.347	1.112	50	30		BDEAMO
C=CCNC(=O)[C@H]1CCCC[N@@H+]1CCC	ZINC000069445280	166390838	/nfs/dbraw/zinc/39/08/38/166390838.db2.gz	RJOXLESVEXWBGP-LLVKDONJSA-N	1	1	210.321	1.553	50	30		BDEAMO
CC(=O)c1c(C)nc2nonc2c1[NH+]=CN(C)C	ZINC000100954362	410677062	/nfs/dbraw/zinc/67/70/62/410677062.db2.gz	ZVSBNBGNUVHGCZ-LFYBBSHMSA-N	1	1	247.258	1.350	50	30		BDEAMO
C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1	ZINC000020246539	173017060	/nfs/dbraw/zinc/01/70/60/173017060.db2.gz	NHPUQCLXYUTUAT-UHFFFAOYSA-N	1	1	216.288	1.095	50	30		BDEAMO
C[N@H+]1CCCN(c2cccc(C#N)n2)CC1	ZINC000080116818	173019531	/nfs/dbraw/zinc/01/95/31/173019531.db2.gz	POAKDUGTIPXEQW-UHFFFAOYSA-N	1	1	216.288	1.095	50	30		BDEAMO
C[N@H+]1CCc2nc(SCC#N)c(C#N)cc2C1	ZINC000019889393	173174825	/nfs/dbraw/zinc/17/48/25/173174825.db2.gz	FVLPADBVTJBARI-UHFFFAOYSA-N	1	1	244.323	1.557	50	30		BDEAMO
C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1	ZINC000062789797	536419914	/nfs/dbraw/zinc/41/99/14/536419914.db2.gz	PIUJTWOKPMJSAG-UHFFFAOYSA-N	1	1	235.718	1.963	50	30		BDEAMO
C#CCCC1(CCC(=O)N[C@H]2CC[N@H+](C)C2)N=N1	ZINC000952883407	974063256	/nfs/dbraw/zinc/06/32/56/974063256.db2.gz	WVQRPIBVCUQQHE-NSHDSACASA-N	1	1	248.330	1.162	50	30		BDEAMO
N#CCC[NH2+]C[C@@H]1OCCc2ccccc21	ZINC000002479963	187331147	/nfs/dbraw/zinc/33/11/47/187331147.db2.gz	QKGMGTWUQWSKBN-ZDUSSCGKSA-N	1	1	216.284	1.804	50	30		BDEAMO
C#CC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1	ZINC000170611972	187226655	/nfs/dbraw/zinc/22/66/55/187226655.db2.gz	KJPHQCFTWOHXPE-UHFFFAOYSA-N	1	1	230.311	1.453	50	30		BDEAMO
C#CC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1	ZINC000170611972	187226657	/nfs/dbraw/zinc/22/66/57/187226657.db2.gz	KJPHQCFTWOHXPE-UHFFFAOYSA-N	1	1	230.311	1.453	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C#N	ZINC000089939299	187243238	/nfs/dbraw/zinc/24/32/38/187243238.db2.gz	AVHUAKHCRTVRLT-LBPRGKRZSA-N	1	1	229.327	1.694	50	30		BDEAMO
C=CC(=O)ONC(=[NH2+])c1ccc(Cl)cc1	ZINC000068593542	187275036	/nfs/dbraw/zinc/27/50/36/187275036.db2.gz	KAHKDWZHMZKYRS-UHFFFAOYSA-N	1	1	224.647	1.690	50	30		BDEAMO
C=C(Cl)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C	ZINC000069509390	187276802	/nfs/dbraw/zinc/27/68/02/187276802.db2.gz	UHSDQSVUZBZLNG-RKDXNWHRSA-N	1	1	216.712	1.325	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1	ZINC000040540610	187354290	/nfs/dbraw/zinc/35/42/90/187354290.db2.gz	MSEPLGKQOZOPJH-CYBMUJFWSA-N	1	1	244.338	1.737	50	30		BDEAMO
C=C(Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000057570958	187359945	/nfs/dbraw/zinc/35/99/45/187359945.db2.gz	RJXRJCYAQCRXDU-LBPRGKRZSA-N	1	1	244.766	1.536	50	30		BDEAMO
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000065577219	166272387	/nfs/dbraw/zinc/27/23/87/166272387.db2.gz	DPWFORJAYWJHCM-RYUDHWBXSA-N	1	1	240.347	1.036	50	30		BDEAMO
N#Cc1cc(F)ccc1C[N@@H+](CCO)CC1CC1	ZINC000096404003	188016802	/nfs/dbraw/zinc/01/68/02/188016802.db2.gz	ZJZTZCIDCFPLJB-UHFFFAOYSA-N	1	1	248.301	1.902	50	30		BDEAMO
C=CCNC(=O)C[N@@H+]1CCS[C@@H](CC)C1	ZINC000096441721	166367942	/nfs/dbraw/zinc/36/79/42/166367942.db2.gz	DQQVFTRAMNGHJM-JTQLQIEISA-N	1	1	228.361	1.116	50	30		BDEAMO
C=CCNC(=O)C[N@H+]1CCS[C@@H](CC)C1	ZINC000096441721	166367944	/nfs/dbraw/zinc/36/79/44/166367944.db2.gz	DQQVFTRAMNGHJM-JTQLQIEISA-N	1	1	228.361	1.116	50	30		BDEAMO
C#CC[N@@H+](C)CCc1ccc2c(c1)CCO2	ZINC000192228207	188049372	/nfs/dbraw/zinc/04/93/72/188049372.db2.gz	LUJZGGMNWUFXBV-UHFFFAOYSA-N	1	1	215.296	1.729	50	30		BDEAMO
N#Cc1ccccc1NC(=O)C[NH+]1CCCCC1	ZINC000002880932	181148032	/nfs/dbraw/zinc/14/80/32/181148032.db2.gz	FIVOWCMAMVREHC-UHFFFAOYSA-N	1	1	243.310	1.983	50	30		BDEAMO
C[C@H]1CCCC[C@@H]1C[NH+]1CC(O)(CC#N)C1	ZINC000170089703	361390895	/nfs/dbraw/zinc/39/08/95/361390895.db2.gz	CGEHHOVCTJXFFN-NWDGAFQWSA-N	1	1	222.332	1.773	50	30		BDEAMO
OCCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055095339	183040822	/nfs/dbraw/zinc/04/08/22/183040822.db2.gz	MRVBVDZIMYCBGU-OAHLLOKOSA-N	1	1	244.338	1.994	50	30	biogenic	BDEAMO
C[C@@H](O)C[N@H+]1CCN(CCCCC#N)C[C@H]1C	ZINC000071864620	384410143	/nfs/dbraw/zinc/41/01/43/384410143.db2.gz	LHPOTDQCWFJUFP-CHWSQXEVSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@@H](O)CN1CC[N@H+](CCCCC#N)C[C@H]1C	ZINC000071864620	384410150	/nfs/dbraw/zinc/41/01/50/384410150.db2.gz	LHPOTDQCWFJUFP-CHWSQXEVSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@@H](O)CN1CC[N@@H+](CCCCC#N)C[C@H]1C	ZINC000071864620	384410158	/nfs/dbraw/zinc/41/01/58/384410158.db2.gz	LHPOTDQCWFJUFP-CHWSQXEVSA-N	1	1	239.363	1.067	50	30		BDEAMO
C#CC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000041636267	533157822	/nfs/dbraw/zinc/15/78/22/533157822.db2.gz	SGVGPYWJWORHPO-UHFFFAOYSA-N	1	1	214.312	1.750	50	30		BDEAMO
C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O	ZINC000069738375	388425645	/nfs/dbraw/zinc/42/56/45/388425645.db2.gz	DHORMPRNLNSCRW-NXEZZACHSA-N	1	1	203.713	1.974	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@H](N2CCNC2=O)C1	ZINC000069743328	388426134	/nfs/dbraw/zinc/42/61/34/388426134.db2.gz	JPDKEHXNLBNEBD-NSHDSACASA-N	1	1	223.320	1.052	50	30		BDEAMO
C[C@@H]1[C@H]2CCC[N@H+]2CCN1c1ncccc1C#N	ZINC000032581026	132268091	/nfs/dbraw/zinc/26/80/91/132268091.db2.gz	JOHWDQNQNNBMSP-DGCLKSJQSA-N	1	1	242.326	1.626	50	30		BDEAMO
C#CC[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1	ZINC000097238452	166191381	/nfs/dbraw/zinc/19/13/81/166191381.db2.gz	RSTOLCGQAJHBBF-NSHDSACASA-N	1	1	227.666	1.735	50	30		BDEAMO
C=CCN(CC=C)C[C@@]1(O)CCC[N@H+](CC)C1	ZINC000041124095	166335111	/nfs/dbraw/zinc/33/51/11/166335111.db2.gz	YXVWCHJONQLNJB-CQSZACIVSA-N	1	1	238.375	1.507	50	30		BDEAMO
C=CC[N@@H+]1CCCC[C@@H]1Cn1nc(C)nc1C	ZINC000069600852	166352844	/nfs/dbraw/zinc/35/28/44/166352844.db2.gz	NMVVNCCYWRKHBI-CYBMUJFWSA-N	1	1	234.347	1.935	50	30		BDEAMO
C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000012370645	173019249	/nfs/dbraw/zinc/01/92/49/173019249.db2.gz	WKJLOVRBRYDGGK-UHFFFAOYSA-N	1	1	215.300	1.700	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2cccc(F)c2)CC1	ZINC000001451743	173065315	/nfs/dbraw/zinc/06/53/15/173065315.db2.gz	CAXNODOCZSAVSR-GXDHUFHOSA-N	1	1	221.279	1.407	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2cccs2)CC1	ZINC000019681315	173065356	/nfs/dbraw/zinc/06/53/56/173065356.db2.gz	OWVOIJTVPASQAB-PKNBQFBNSA-N	1	1	209.318	1.329	50	30		BDEAMO
C[N@H+]1CC[C@@H](Oc2cnccc2C#N)C1	ZINC000034134428	173127466	/nfs/dbraw/zinc/12/74/66/173127466.db2.gz	HFIPMKDJGNOZBI-SNVBAGLBSA-N	1	1	203.245	1.036	50	30		BDEAMO
CNC(=O)c1ccc(C[NH2+]CCC#N)cc1	ZINC000028920179	173310720	/nfs/dbraw/zinc/31/07/20/173310720.db2.gz	CNBPRJPQKDBQFZ-UHFFFAOYSA-N	1	1	217.272	1.049	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1F	ZINC000089939279	176267927	/nfs/dbraw/zinc/26/79/27/176267927.db2.gz	AUCOLHQLPLBBIR-LLVKDONJSA-N	1	1	247.317	1.833	50	30		BDEAMO
C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCOC2)C1	ZINC000328598549	524497290	/nfs/dbraw/zinc/49/72/90/524497290.db2.gz	MZEBGXUAZUGNTO-NEPJUHHUSA-N	1	1	240.347	1.711	50	30		BDEAMO
O=[N+]([O-])c1ccccc1/C=C\C=[NH+]n1cnnc1	ZINC000254736662	642737526	/nfs/dbraw/zinc/73/75/26/642737526.db2.gz	NYSKTVRREGDPSR-MTHCQHNGSA-N	1	1	243.226	1.734	50	30		BDEAMO
C[N@H+]1CCC[C@@H]1COc1ncccc1C#N	ZINC000259507045	976386564	/nfs/dbraw/zinc/38/65/64/976386564.db2.gz	REGQKGINZNOBMU-LLVKDONJSA-N	1	1	217.272	1.426	50	30		BDEAMO
CC[C@@H](C(=O)N1CCC(C#N)CC1)[N@@H+](C)CC	ZINC000822544878	968525380	/nfs/dbraw/zinc/52/53/80/968525380.db2.gz	UIQJNHQGFHUNQW-LBPRGKRZSA-N	1	1	237.347	1.479	50	30		BDEAMO
CCc1nnc2n1CC[N@@H+](CCCCC#N)C2	ZINC000072253015	343096655	/nfs/dbraw/zinc/09/66/55/343096655.db2.gz	MDBCHRQYPLTQFF-UHFFFAOYSA-N	1	1	233.319	1.350	50	30		BDEAMO
CCc1nnc2n1CC[N@H+](CCCCC#N)C2	ZINC000072253015	343096656	/nfs/dbraw/zinc/09/66/56/343096656.db2.gz	MDBCHRQYPLTQFF-UHFFFAOYSA-N	1	1	233.319	1.350	50	30		BDEAMO
C[N@@H+](CCc1cnccn1)[C@@H]1CC[C@H](C#N)C1	ZINC000293710241	136289647	/nfs/dbraw/zinc/28/96/47/136289647.db2.gz	DSAFNPKOMSFBDT-WCQYABFASA-N	1	1	230.315	1.643	50	30		BDEAMO
N#CCCCC[N@H+]1CCc2cncnc2C1	ZINC000069512463	187257752	/nfs/dbraw/zinc/25/77/52/187257752.db2.gz	WPWSIWWOKIFXQA-UHFFFAOYSA-N	1	1	216.288	1.529	50	30		BDEAMO
C#CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000045911379	187354361	/nfs/dbraw/zinc/35/43/61/187354361.db2.gz	VNJFITZTBHKPCE-UHFFFAOYSA-N	1	1	239.322	1.309	50	30		BDEAMO
C=CC[C@@H](C)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000097084381	187362812	/nfs/dbraw/zinc/36/28/12/187362812.db2.gz	OYUOCBIJPCJSRR-KXNHARMFSA-N	1	1	241.331	1.195	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1F	ZINC000191995417	346078967	/nfs/dbraw/zinc/07/89/67/346078967.db2.gz	YDXUDWSUGLDAFV-LLVKDONJSA-N	1	1	220.247	1.264	50	30		BDEAMO
C#CC[N@H+](C)C[C@@H](O)Cc1ccccc1	ZINC000192223951	187314930	/nfs/dbraw/zinc/31/49/30/187314930.db2.gz	IIIDJOUUQXRXNN-ZDUSSCGKSA-N	1	1	203.285	1.155	50	30		BDEAMO
N#Cc1ccnc(N2CCC[N@H+]3CCC[C@@H]3C2)c1	ZINC000032565501	181155382	/nfs/dbraw/zinc/15/53/82/181155382.db2.gz	RMWLURFRWPSNDG-CYBMUJFWSA-N	1	1	242.326	1.628	50	30		BDEAMO
C=CC[N@@H+]1CCN(c2nccs2)[C@@H](C)C1	ZINC000095949275	538610044	/nfs/dbraw/zinc/61/00/44/538610044.db2.gz	ISNMZKTZHHEWRG-JTQLQIEISA-N	1	1	223.345	1.840	50	30		BDEAMO
C=CC[N@H+]1CCN(c2nccs2)[C@@H](C)C1	ZINC000095949275	538610052	/nfs/dbraw/zinc/61/00/52/538610052.db2.gz	ISNMZKTZHHEWRG-JTQLQIEISA-N	1	1	223.345	1.840	50	30		BDEAMO
N#Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1	ZINC000020941468	371354350	/nfs/dbraw/zinc/35/43/50/371354350.db2.gz	XFVBBBVYPFNPMF-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
CC(C)(/C=N/O)[N+](=O)Cc1ccccn1	ZINC000000337820	384078995	/nfs/dbraw/zinc/07/89/95/384078995.db2.gz	XZPWOVWWIJXOOJ-UPAULDTKSA-N	1	1	207.233	1.249	50	30		BDEAMO
O=C1/C(=C2/C[NH+]3CCC2CC3)N2CCC1CC2	ZINC000196150789	385505127	/nfs/dbraw/zinc/50/51/27/385505127.db2.gz	PZGYKDWIBYWKGD-OUKQBFOZSA-N	1	1	232.327	1.261	50	30		BDEAMO
CC#CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000159483717	385625176	/nfs/dbraw/zinc/62/51/76/385625176.db2.gz	JIUBBLQBVVQMRZ-CQSZACIVSA-N	1	1	242.322	1.573	50	30		BDEAMO
CC#CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000159483717	385625185	/nfs/dbraw/zinc/62/51/85/385625185.db2.gz	JIUBBLQBVVQMRZ-CQSZACIVSA-N	1	1	242.322	1.573	50	30		BDEAMO
C=C(C)C[NH+]1CCN(Cc2cc(C)on2)CC1	ZINC000057623804	388364762	/nfs/dbraw/zinc/36/47/62/388364762.db2.gz	FIBDSXINOMJLLB-UHFFFAOYSA-N	1	1	235.331	1.677	50	30		BDEAMO
C#CC[N@@H+]1CCN(C)c2ccccc2C1	ZINC000069090960	388412498	/nfs/dbraw/zinc/41/24/98/388412498.db2.gz	FDROFLPWFFOTDD-UHFFFAOYSA-N	1	1	200.285	1.572	50	30		BDEAMO
CC(C)C[C@H](CNC(=[NH2+])NC(C)C)N(C)C	ZINC000069569133	388420435	/nfs/dbraw/zinc/42/04/35/388420435.db2.gz	XYDWQBUCAVKRGE-LLVKDONJSA-N	1	1	228.384	1.275	50	30		BDEAMO
C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCCOC1	ZINC000095395985	388765608	/nfs/dbraw/zinc/76/56/08/388765608.db2.gz	GCJUYTIZMUKGJK-STQMWFEESA-N	1	1	235.331	1.788	50	30		BDEAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000004754732	132317113	/nfs/dbraw/zinc/31/71/13/132317113.db2.gz	LFOKDMGRKXOPEC-UHFFFAOYSA-N	1	1	246.270	1.218	50	30		BDEAMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O	ZINC000096486811	166297740	/nfs/dbraw/zinc/29/77/40/166297740.db2.gz	ZQPBUUQXJBQKMX-VXGBXAGGSA-N	1	1	227.348	1.549	50	30		BDEAMO
C=CC[N@H+]1CCc2nc(N)sc2CC1	ZINC000000006644	166359125	/nfs/dbraw/zinc/35/91/25/166359125.db2.gz	DHSSDEDRBUKTQY-UHFFFAOYSA-N	1	1	209.318	1.312	50	30	in-man	BDEAMO
CC(C)[N@H+]1CCc2c(C#N)c(N)sc2C1	ZINC000000049943	167028780	/nfs/dbraw/zinc/02/87/80/167028780.db2.gz	GRVDEWDYQKUPSB-UHFFFAOYSA-N	1	1	221.329	1.968	50	30	aggregator	BDEAMO
C[NH+]1CCN([C@@H](C#N)c2ccc(O)cc2)CC1	ZINC000020268569	173092051	/nfs/dbraw/zinc/09/20/51/173092051.db2.gz	PMWBLBVQEKZKNT-ZDUSSCGKSA-N	1	1	231.299	1.204	50	30		BDEAMO
C[N@H+]1CCc2c(C#N)c(S)[nH]c(=S)c2C1	ZINC000019873875	173167800	/nfs/dbraw/zinc/16/78/00/173167800.db2.gz	DNJQXLJIDZTGQO-UHFFFAOYSA-N	1	1	237.353	1.892	50	30		BDEAMO
COc1ccnc(/[NH+]=C/N(C)C)c1C#N	ZINC000100437511	175357072	/nfs/dbraw/zinc/35/70/72/175357072.db2.gz	GYPPGBCYEMWKMB-NTUHNPAUSA-N	1	1	204.233	1.183	50	30		BDEAMO
CCOC(=O)[C@]1(C)O[C@]12C[C@@H](C)[N@@H+](C)C[C@H]2C	ZINC000245311350	521352986	/nfs/dbraw/zinc/35/29/86/521352986.db2.gz	NUSPFIPXZQKSOH-AAXDQBDMSA-N	1	1	241.331	1.437	50	30		BDEAMO
C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCCOC1	ZINC000246527560	523008767	/nfs/dbraw/zinc/00/87/67/523008767.db2.gz	GCJUYTIZMUKGJK-CHWSQXEVSA-N	1	1	235.331	1.788	50	30		BDEAMO
N#CCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1	ZINC000097227400	187327660	/nfs/dbraw/zinc/32/76/60/187327660.db2.gz	ZGGIMMGYMFKJIZ-SECBINFHSA-N	1	1	236.237	1.679	50	30		BDEAMO
C=CCO[C@H]1CC[N@H+](Cc2cccn2C)C1	ZINC000097108605	398238050	/nfs/dbraw/zinc/23/80/50/398238050.db2.gz	PPWDKOAXWOZGTE-ZDUSSCGKSA-N	1	1	220.316	1.802	50	30		BDEAMO
Cc1cc(C)nc(NC2=[NH+][C@H]3CCCC[C@@H]3N2)n1	ZINC000006922203	342786318	/nfs/dbraw/zinc/78/63/18/342786318.db2.gz	KIPAFZNQLYQZBG-QWRGUYRKSA-N	1	1	245.330	1.585	50	30		BDEAMO
C#CCN1CC[N@@H+](CC#C)C2(CCCCC2)C1	ZINC000170652160	187227465	/nfs/dbraw/zinc/22/74/65/187227465.db2.gz	VKRJDFOBKUJOEK-UHFFFAOYSA-N	1	1	230.355	1.573	50	30		BDEAMO
C#CCN1CC[N@H+](CC#C)CC12CCCCC2	ZINC000170652160	187227467	/nfs/dbraw/zinc/22/74/67/187227467.db2.gz	VKRJDFOBKUJOEK-UHFFFAOYSA-N	1	1	230.355	1.573	50	30		BDEAMO
CCC(CC)[C@@H](CNC(=[NH2+])N(C)C)N(C)C	ZINC000072272429	343127087	/nfs/dbraw/zinc/12/70/87/343127087.db2.gz	WRPOPOWEKOGKOT-LLVKDONJSA-N	1	1	228.384	1.229	50	30		BDEAMO
C=C(C)CN(CC)C(=O)C[NH+]1CCSCC1	ZINC000047986967	187356127	/nfs/dbraw/zinc/35/61/27/187356127.db2.gz	XUBKSHPUMYPLOG-UHFFFAOYSA-N	1	1	242.388	1.460	50	30		BDEAMO
C=CC[C@]1(CO)CCC[N@H+](CCOCC)C1	ZINC000091877055	187287244	/nfs/dbraw/zinc/28/72/44/187287244.db2.gz	JFAXYMZHQOSSBR-ZDUSSCGKSA-N	1	1	227.348	1.674	50	30		BDEAMO
C=CCCCCC[N@H+]1CCCNC(=O)[C@H]1C	ZINC000193576517	346186520	/nfs/dbraw/zinc/18/65/20/346186520.db2.gz	JXIMWWIFTWRPGK-GFCCVEGCSA-N	1	1	224.348	1.943	50	30		BDEAMO
CN(C[C@@H]1CCC[N@H+]1C)c1cc(C#N)ccn1	ZINC000092631225	347211794	/nfs/dbraw/zinc/21/17/94/347211794.db2.gz	WDUGFUFTFWFKRD-LBPRGKRZSA-N	1	1	230.315	1.484	50	30		BDEAMO
C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000065577224	166274456	/nfs/dbraw/zinc/27/44/56/166274456.db2.gz	DPWFORJAYWJHCM-NEPJUHHUSA-N	1	1	240.347	1.036	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1cccc(C#N)c1	ZINC000089939288	362969974	/nfs/dbraw/zinc/96/99/74/362969974.db2.gz	UIHHHLXPRKELDG-LBPRGKRZSA-N	1	1	229.327	1.694	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(CNC(C)=O)CC1	ZINC000047772791	188046281	/nfs/dbraw/zinc/04/62/81/188046281.db2.gz	CDMNSFREOIMOQK-UHFFFAOYSA-N	1	1	230.739	1.587	50	30		BDEAMO
C=C(Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000057570960	188049411	/nfs/dbraw/zinc/04/94/11/188049411.db2.gz	RJXRJCYAQCRXDU-GFCCVEGCSA-N	1	1	244.766	1.536	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000216282540	538113669	/nfs/dbraw/zinc/11/36/69/538113669.db2.gz	BSQWOAIKHSTTBD-CHWSQXEVSA-N	1	1	234.343	1.390	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1	ZINC000042432816	181103947	/nfs/dbraw/zinc/10/39/47/181103947.db2.gz	WAHSUEOQXAKWGX-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccc(F)c(C[NH+]2CCC(CO)CC2)c1	ZINC000036720954	181112456	/nfs/dbraw/zinc/11/24/56/181112456.db2.gz	SOODMUUCJWXCGM-UHFFFAOYSA-N	1	1	248.301	1.902	50	30		BDEAMO
CC[N@H+]1CCCC[C@@H]1CNc1cncc(C#N)n1	ZINC000420604029	192248562	/nfs/dbraw/zinc/24/85/62/192248562.db2.gz	RHPKXFJAUWUDCF-GFCCVEGCSA-N	1	1	245.330	1.635	50	30		BDEAMO
OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000049615615	183042179	/nfs/dbraw/zinc/04/21/79/183042179.db2.gz	KODSHOLCUNRJRY-UHFFFAOYSA-N	1	1	245.322	1.253	50	30		BDEAMO
CC[C@@H](CC#N)[NH2+]Cc1cccc(C(N)=O)c1	ZINC000071205060	384153349	/nfs/dbraw/zinc/15/33/49/384153349.db2.gz	RZWYCECGHDGWBC-LBPRGKRZSA-N	1	1	231.299	1.567	50	30		BDEAMO
C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cccc(C#N)c1	ZINC000097034514	384293739	/nfs/dbraw/zinc/29/37/39/384293739.db2.gz	IIRPFEJBJOXGEY-RISCZKNCSA-N	1	1	247.342	1.131	50	30		BDEAMO
C=CCOc1ccc(C[C@H]([NH3+])C(=O)OC)cc1	ZINC000034361925	387119531	/nfs/dbraw/zinc/11/95/31/387119531.db2.gz	JZATVIJICRYKPA-LBPRGKRZSA-N	1	1	235.283	1.294	50	30		BDEAMO
C[C@H](O)C[N@H+]1CCN(CCCCC#N)C[C@@H]1C	ZINC000229375422	387168353	/nfs/dbraw/zinc/16/83/53/387168353.db2.gz	LHPOTDQCWFJUFP-STQMWFEESA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@H](O)CN1CC[N@H+](CCCCC#N)C[C@@H]1C	ZINC000229375422	387168359	/nfs/dbraw/zinc/16/83/59/387168359.db2.gz	LHPOTDQCWFJUFP-STQMWFEESA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@H](O)CN1CC[N@@H+](CCCCC#N)C[C@@H]1C	ZINC000229375422	387168364	/nfs/dbraw/zinc/16/83/64/387168364.db2.gz	LHPOTDQCWFJUFP-STQMWFEESA-N	1	1	239.363	1.067	50	30		BDEAMO
C[N@H+](CC#C[C@@]1(C)CCCC(C)(C)O1)CCO	ZINC000006668852	387597104	/nfs/dbraw/zinc/59/71/04/387597104.db2.gz	UODPBRNHUPVTLY-CQSZACIVSA-N	1	1	239.359	1.652	50	30		BDEAMO
C[C@@H](CC#N)N1CCC(CC[NH+](C)C)CC1	ZINC000068613221	387879023	/nfs/dbraw/zinc/87/90/23/387879023.db2.gz	JHOJATFEKHYMDE-LBPRGKRZSA-N	1	1	223.364	1.952	50	30		BDEAMO
CC[N@H+]1CCCN(c2ccc(C#N)nc2)CC1	ZINC000195535302	388478308	/nfs/dbraw/zinc/47/83/08/388478308.db2.gz	BVBIMMRRZAFASW-UHFFFAOYSA-N	1	1	230.315	1.485	50	30		BDEAMO
C#CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1	ZINC000095974404	388798553	/nfs/dbraw/zinc/79/85/53/388798553.db2.gz	RPIFGCLSYRKFKH-OAHLLOKOSA-N	1	1	229.323	1.893	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1	ZINC000195546612	166303756	/nfs/dbraw/zinc/30/37/56/166303756.db2.gz	JZDDUWCUHABRTD-UPJWGTAASA-N	1	1	227.348	1.406	50	30		BDEAMO
C=CC[N@@H+](CC(=O)NCC)Cc1ccccc1	ZINC000045840784	166323335	/nfs/dbraw/zinc/32/33/35/166323335.db2.gz	MGZXOSBOWLNLPU-UHFFFAOYSA-N	1	1	232.327	1.811	50	30		BDEAMO
C=CC[N@H+](CC(=O)NCC)Cc1ccccc1	ZINC000045840784	166323337	/nfs/dbraw/zinc/32/33/37/166323337.db2.gz	MGZXOSBOWLNLPU-UHFFFAOYSA-N	1	1	232.327	1.811	50	30		BDEAMO
C[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000007016211	176096220	/nfs/dbraw/zinc/09/62/20/176096220.db2.gz	NRNMEMRVIBJUGY-RISCZKNCSA-N	1	1	249.358	1.527	50	30		BDEAMO
C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000097162233	177008231	/nfs/dbraw/zinc/00/82/31/177008231.db2.gz	WALFROYUPFTHQU-WDEREUQCSA-N	1	1	234.299	1.744	50	30		BDEAMO
C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)cc1	ZINC000089938489	177233269	/nfs/dbraw/zinc/23/32/69/177233269.db2.gz	DQVWFTVBEHYLHZ-NSHDSACASA-N	1	1	243.310	1.334	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)cc1	ZINC000089938489	177233270	/nfs/dbraw/zinc/23/32/70/177233270.db2.gz	DQVWFTVBEHYLHZ-NSHDSACASA-N	1	1	243.310	1.334	50	30		BDEAMO
CC[N@H+]1C[C@H](Nc2ncccc2C#N)[C@@H](OC)C1	ZINC000534650431	323157515	/nfs/dbraw/zinc/15/75/15/323157515.db2.gz	FOCGNJUEQBOPEU-RYUDHWBXSA-N	1	1	246.314	1.084	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1	ZINC000328588831	518728397	/nfs/dbraw/zinc/72/83/97/518728397.db2.gz	RFQHJDSIHSMIEA-KWCYVHTRSA-N	1	1	239.359	1.813	50	30		BDEAMO
C[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000242273804	524097698	/nfs/dbraw/zinc/09/76/98/524097698.db2.gz	YFYWPGZJCQBLLV-BXUZGUMPSA-N	1	1	249.358	1.669	50	30		BDEAMO
N#Cc1cccc(C[N@@H+]2CC3CC2(CO)C3)c1	ZINC000585094437	972134072	/nfs/dbraw/zinc/13/40/72/972134072.db2.gz	DAURFFFQKSKTKS-UHFFFAOYSA-N	1	1	228.295	1.515	50	30		BDEAMO
CCC#CC[N@H+]1CCC[C@H](CCCO)C1	ZINC000828748571	965528476	/nfs/dbraw/zinc/52/84/76/965528476.db2.gz	MAYKRTNQGCFLFP-CYBMUJFWSA-N	1	1	209.333	1.884	50	30		BDEAMO
C=CCn1cc(C[N@H+](C)CC2(C)COC2)cn1	ZINC000820505289	968475989	/nfs/dbraw/zinc/47/59/89/968475989.db2.gz	NONIVESJLCTUEJ-UHFFFAOYSA-N	1	1	235.331	1.537	50	30		BDEAMO
C[N@H+]1CCCC[C@@H]1CCn1cnc(C#N)n1	ZINC000219668216	259303522	/nfs/dbraw/zinc/30/35/22/259303522.db2.gz	LLUDNRNCAKZIFW-SNVBAGLBSA-N	1	1	219.292	1.024	50	30		BDEAMO
N#CCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019514348	187252499	/nfs/dbraw/zinc/25/24/99/187252499.db2.gz	RDOXBAQERUMMSO-UHFFFAOYSA-N	1	1	243.310	1.244	50	30		BDEAMO
C[N@@H+](CCc1cnccn1)[C@H]1CC[C@H](C#N)C1	ZINC000293710237	136289660	/nfs/dbraw/zinc/28/96/60/136289660.db2.gz	DSAFNPKOMSFBDT-AAEUAGOBSA-N	1	1	230.315	1.643	50	30		BDEAMO
C=C(C)C[N@@H+]1CCc2cnc(C)nc2C1	ZINC000069463836	187257338	/nfs/dbraw/zinc/25/73/38/187257338.db2.gz	YVRFPOPITPPPSG-UHFFFAOYSA-N	1	1	203.289	1.719	50	30		BDEAMO
C=C(C)C[N@H+]1CCc2cnc(C)nc2C1	ZINC000069463836	187257339	/nfs/dbraw/zinc/25/73/39/187257339.db2.gz	YVRFPOPITPPPSG-UHFFFAOYSA-N	1	1	203.289	1.719	50	30		BDEAMO
C=C(Cl)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000069509388	187276557	/nfs/dbraw/zinc/27/65/57/187276557.db2.gz	UHSDQSVUZBZLNG-IUCAKERBSA-N	1	1	216.712	1.325	50	30		BDEAMO
C=C(C)C[N@@H+](CCC(=O)OC)C[C@@H]1CCCO1	ZINC000071908323	187359781	/nfs/dbraw/zinc/35/97/81/187359781.db2.gz	AWJHXLNBSVVHGA-LBPRGKRZSA-N	1	1	241.331	1.607	50	30		BDEAMO
C#C[C@]1(O)C[C@@H](c2ccccc2)[N@@H+](C)C[C@]1(C)O	ZINC000033886338	345786768	/nfs/dbraw/zinc/78/67/68/345786768.db2.gz	CCFDMNFFOBENMZ-KKUMJFAQSA-N	1	1	245.322	1.179	50	30		BDEAMO
C=CCOc1ccc(CNCCC[NH2+]C)cc1	ZINC000057263129	187360354	/nfs/dbraw/zinc/36/03/54/187360354.db2.gz	RVGSFNMJVLVHPS-UHFFFAOYSA-N	1	1	234.343	1.951	50	30		BDEAMO
C=CCCC[N@@H+]1CCSC[C@@H]1CC(=O)OC	ZINC000089400777	166235245	/nfs/dbraw/zinc/23/52/45/166235245.db2.gz	AAVYJQNHWPDFAY-NSHDSACASA-N	1	1	243.372	1.933	50	30		BDEAMO
Cc1[nH+]ccn1CC(=O)Nc1ccccc1C#N	ZINC000019847105	180233093	/nfs/dbraw/zinc/23/30/93/180233093.db2.gz	SDPJKTVLOQSNSF-UHFFFAOYSA-N	1	1	240.266	1.702	50	30		BDEAMO
C=CC[N@@H+]1CCSC[C@H]1CC(=O)OC	ZINC000089400766	166358071	/nfs/dbraw/zinc/35/80/71/166358071.db2.gz	FZIVFNUZTNOOFX-SECBINFHSA-N	1	1	215.318	1.153	50	30		BDEAMO
C=CC[NH2+]C(=C)NS(=O)(=O)c1ccccc1	ZINC000005234344	166361090	/nfs/dbraw/zinc/36/10/90/166361090.db2.gz	FYTRDBQLHKNPAJ-UHFFFAOYSA-N	1	1	238.312	1.212	50	30		BDEAMO
C=CC[C@H](C)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000097084410	188050815	/nfs/dbraw/zinc/05/08/15/188050815.db2.gz	OYUOCBIJPCJSRR-USZNOCQGSA-N	1	1	241.331	1.195	50	30		BDEAMO
N#Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1	ZINC000019470350	181119633	/nfs/dbraw/zinc/11/96/33/181119633.db2.gz	ICWMWMHJRCJRDK-SNVBAGLBSA-N	1	1	233.296	1.159	50	30		BDEAMO
NC(=S)N/[NH+]=C/c1ccc(N2CCCC2)cc1	ZINC000001093595	181317175	/nfs/dbraw/zinc/31/71/75/181317175.db2.gz	AHMCAMFTTZJPKF-NTEUORMPSA-N	1	1	248.355	1.454	50	30		BDEAMO
CCCCNC(=[NH2+])NC(=O)c1ccccc1	ZINC000071784933	384003834	/nfs/dbraw/zinc/00/38/34/384003834.db2.gz	KHAVDGWUKZDWMT-UHFFFAOYSA-N	1	1	219.288	1.531	50	30		BDEAMO
C=C1CCCN(c2nc(N(C)C)cc[nH+]2)C1	ZINC000575606130	387392930	/nfs/dbraw/zinc/39/29/30/387392930.db2.gz	BYVSDMUBISABHN-UHFFFAOYSA-N	1	1	218.304	1.699	50	30		BDEAMO
CC(=NN1CC[NH+](C)CC1)c1ccccn1	ZINC000606347486	388389495	/nfs/dbraw/zinc/38/94/95/388389495.db2.gz	FNBVZIFYEDAWMH-UHFFFAOYSA-N	1	1	218.304	1.053	50	30		BDEAMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O	ZINC000096486810	388820303	/nfs/dbraw/zinc/82/03/03/388820303.db2.gz	ZQPBUUQXJBQKMX-NEPJUHHUSA-N	1	1	227.348	1.549	50	30		BDEAMO
C[NH+]1CCN(c2ccc(C(=O)CC#N)cc2)CC1	ZINC000032911309	132335628	/nfs/dbraw/zinc/33/56/28/132335628.db2.gz	RQLABLZEBKNFTK-UHFFFAOYSA-N	1	1	243.310	1.535	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CCC(=O)[C@@H]2CCC[C@H]21	ZINC000043204620	166110830	/nfs/dbraw/zinc/11/08/30/166110830.db2.gz	FZSAALMSLBQPTN-GHMZBOCLSA-N	1	1	205.301	1.842	50	30		BDEAMO
C#CC(C)(C)OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000016577704	166113274	/nfs/dbraw/zinc/11/32/74/166113274.db2.gz	PPWHBFZZVWTMPM-QWHCGFSZSA-N	1	1	239.359	1.650	50	30		BDEAMO
C#CC[N@H+](C)C[C@H](O)Cc1ccccc1	ZINC000192223944	166158949	/nfs/dbraw/zinc/15/89/49/166158949.db2.gz	IIIDJOUUQXRXNN-CYBMUJFWSA-N	1	1	203.285	1.155	50	30		BDEAMO
C=CC[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000069663277	166356186	/nfs/dbraw/zinc/35/61/86/166356186.db2.gz	AFPGUSRUCSGPHX-LLVKDONJSA-N	1	1	206.293	1.176	50	30		BDEAMO
C[C@H](O)C[N@@H+](C)Cc1cc(C#N)cs1	ZINC000130733837	411437218	/nfs/dbraw/zinc/43/72/18/411437218.db2.gz	XXUPWFSCRWUWEJ-QMMMGPOBSA-N	1	1	210.302	1.432	50	30		BDEAMO
C[N@H+]1CCC[C@H](OC(=O)c2ccc(C#N)cc2)C1	ZINC000003258329	173045694	/nfs/dbraw/zinc/04/56/94/173045694.db2.gz	UBTMNZQLYVCKMU-ZDUSSCGKSA-N	1	1	244.294	1.809	50	30		BDEAMO
C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000019934061	173093071	/nfs/dbraw/zinc/09/30/71/173093071.db2.gz	XQKUDTNQMGTCMZ-ZDUSSCGKSA-N	1	1	215.300	1.499	50	30		BDEAMO
C[N@H+]1CC[C@H]2CCN(c3cc(C#N)ccn3)[C@H]2C1	ZINC000284892028	173160493	/nfs/dbraw/zinc/16/04/93/173160493.db2.gz	HCNXPJZQDPHACW-STQMWFEESA-N	1	1	242.326	1.484	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)[C@H](C)c2cc(/C=N/CCO)[nH]c21	ZINC000005355546	176280302	/nfs/dbraw/zinc/28/03/02/176280302.db2.gz	VANJHXWVRNXXCT-UKPKIQPSSA-N	1	1	235.331	1.536	50	30		BDEAMO
C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1	ZINC000095993811	177009807	/nfs/dbraw/zinc/00/98/07/177009807.db2.gz	ZYKZEXTWTOMJBH-WCQYABFASA-N	1	1	230.311	1.761	50	30		BDEAMO
C[C@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1	ZINC000035237078	177292780	/nfs/dbraw/zinc/29/27/80/177292780.db2.gz	ODXGCQHHMPPWOP-LBPRGKRZSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1	ZINC000035237078	177292782	/nfs/dbraw/zinc/29/27/82/177292782.db2.gz	ODXGCQHHMPPWOP-LBPRGKRZSA-N	1	1	246.310	1.658	50	30		BDEAMO
CCC#CC[N@H+]1CCC[C@@H](CN2CCCC2=O)C1	ZINC000670440173	487488935	/nfs/dbraw/zinc/48/89/35/487488935.db2.gz	WMUCNBIEHWVETJ-CQSZACIVSA-N	1	1	248.370	1.734	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21	ZINC000328586880	518728496	/nfs/dbraw/zinc/72/84/96/518728496.db2.gz	XTHKWFARLYXNLP-RDBSUJKOSA-N	1	1	238.375	1.340	50	30		BDEAMO
C#CC[N@@H+](C[C@H]1CCSC1)C1CSC1	ZINC000585138212	972170759	/nfs/dbraw/zinc/17/07/59/972170759.db2.gz	VZJCJPKCYCHXEQ-SNVBAGLBSA-N	1	1	227.398	1.790	50	30		BDEAMO
C=C(Cl)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000069509385	187277002	/nfs/dbraw/zinc/27/70/02/187277002.db2.gz	UHSDQSVUZBZLNG-BDAKNGLRSA-N	1	1	216.712	1.325	50	30		BDEAMO
CC[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCOC1	ZINC000084777589	344474822	/nfs/dbraw/zinc/47/48/22/344474822.db2.gz	DRVRWGOKWCZHCX-ZDUSSCGKSA-N	1	1	245.326	1.812	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1	ZINC000105708242	187292553	/nfs/dbraw/zinc/29/25/53/187292553.db2.gz	KFZRSLLTURWYME-CHWSQXEVSA-N	1	1	249.358	1.528	50	30		BDEAMO
C#CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1	ZINC000095974403	187362230	/nfs/dbraw/zinc/36/22/30/187362230.db2.gz	RPIFGCLSYRKFKH-HNNXBMFYSA-N	1	1	229.323	1.893	50	30		BDEAMO
C=C(C)C[NH+]1CCN(Cc2ccco2)CC1	ZINC000040475948	188043364	/nfs/dbraw/zinc/04/33/64/188043364.db2.gz	FSQDICHIVZVZTB-UHFFFAOYSA-N	1	1	220.316	1.973	50	30		BDEAMO
N#CCC[N@H+]1C[C@@H](O)C[C@H]1C1CCCCC1	ZINC000071907945	181038174	/nfs/dbraw/zinc/03/81/74/181038174.db2.gz	FEOBXTZNJHPOSB-STQMWFEESA-N	1	1	222.332	1.916	50	30		BDEAMO
N#Cc1cccnc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000222685001	181153321	/nfs/dbraw/zinc/15/33/21/181153321.db2.gz	WVPQGAVZZACZFW-OLZOCXBDSA-N	1	1	242.326	1.992	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1	ZINC000016431827	355887688	/nfs/dbraw/zinc/88/76/88/355887688.db2.gz	XZZBPDVZSHDXND-LLVKDONJSA-N	1	1	248.301	1.568	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1	ZINC000016431827	355887690	/nfs/dbraw/zinc/88/76/90/355887690.db2.gz	XZZBPDVZSHDXND-LLVKDONJSA-N	1	1	248.301	1.568	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1	ZINC000040473960	358018274	/nfs/dbraw/zinc/01/82/74/358018274.db2.gz	KFZRSLLTURWYME-STQMWFEESA-N	1	1	249.358	1.528	50	30		BDEAMO
CC(C)CC12CN3CC(C[N@@H+](C1)CC3)C2=NO	ZINC000252620346	364162664	/nfs/dbraw/zinc/16/26/64/364162664.db2.gz	MCGCWNGBOJJTEP-UHFFFAOYSA-N	1	1	237.347	1.110	50	30		BDEAMO
CN/[NH+]=C/c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000004180740	372160033	/nfs/dbraw/zinc/16/00/33/372160033.db2.gz	LEZNHIUOPYWCLW-NTEUORMPSA-N	1	1	248.286	1.748	50	30		BDEAMO
C#CC[N@@H+](CCc1ccncc1)C1CSC1	ZINC000583651754	384862470	/nfs/dbraw/zinc/86/24/70/384862470.db2.gz	RXWVIIUEBSOGFY-UHFFFAOYSA-N	1	1	232.352	1.675	50	30		BDEAMO
C[NH+]1CCN(c2ccc(C#N)cc2F)CC1	ZINC000004818956	385170672	/nfs/dbraw/zinc/17/06/72/385170672.db2.gz	TXBCSFIRHCCWJE-UHFFFAOYSA-N	1	1	219.263	1.449	50	30		BDEAMO
CCN(CCC#N)C(=O)Cn1cc[nH+]c1C(C)C	ZINC000096001668	385736295	/nfs/dbraw/zinc/73/62/95/385736295.db2.gz	GTKFXTFKEGHDGD-UHFFFAOYSA-N	1	1	248.330	1.769	50	30		BDEAMO
C[C@@H](CC#N)[N@@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000095973126	385954773	/nfs/dbraw/zinc/95/47/73/385954773.db2.gz	QFBGPRWATJXKON-RYUDHWBXSA-N	1	1	233.319	1.292	50	30		BDEAMO
C[C@@H](CC#N)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000095973126	385954780	/nfs/dbraw/zinc/95/47/80/385954780.db2.gz	QFBGPRWATJXKON-RYUDHWBXSA-N	1	1	233.319	1.292	50	30		BDEAMO
COc1c(C)c[nH+]c(Cn2cc(C#N)cn2)c1C	ZINC000282138499	388811767	/nfs/dbraw/zinc/81/17/67/388811767.db2.gz	AOYHEUDHFBZSLM-UHFFFAOYSA-N	1	1	242.282	1.824	50	30		BDEAMO
C=C(C)C[NH+]1CCN(c2ncccn2)CC1	ZINC000048343580	132228062	/nfs/dbraw/zinc/22/80/62/132228062.db2.gz	FTCYNCVGUZCCOF-UHFFFAOYSA-N	1	1	218.304	1.175	50	30		BDEAMO
CC[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1	ZINC000029358767	132334320	/nfs/dbraw/zinc/33/43/20/132334320.db2.gz	ZFLQTTIQDHSIDD-UHFFFAOYSA-N	1	1	245.330	1.107	50	30		BDEAMO
CC#CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000283308036	135371673	/nfs/dbraw/zinc/37/16/73/135371673.db2.gz	UWKYDOSYHLEBGD-ZFWWWQNUSA-N	1	1	242.322	1.571	50	30		BDEAMO
CC[C@@H](C)NC(=[NH2+])NC[C@H](C)N(CC)CC	ZINC000058185110	398072005	/nfs/dbraw/zinc/07/20/05/398072005.db2.gz	BFEQEGODLFGMMD-MNOVXSKESA-N	1	1	228.384	1.420	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CCC(=O)[C@@H]2CCC[C@@H]21	ZINC000019798242	166110955	/nfs/dbraw/zinc/11/09/55/166110955.db2.gz	FZSAALMSLBQPTN-MNOVXSKESA-N	1	1	205.301	1.842	50	30		BDEAMO
C#CC[N@H+](C)[C@H](CO)c1ccc(OC)cc1	ZINC000071904364	166160095	/nfs/dbraw/zinc/16/00/95/166160095.db2.gz	IXCNCPZDXXPJEA-CYBMUJFWSA-N	1	1	219.284	1.294	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1	ZINC000230171989	166303880	/nfs/dbraw/zinc/30/38/80/166303880.db2.gz	JZDDUWCUHABRTD-AGIUHOORSA-N	1	1	227.348	1.406	50	30		BDEAMO
CC1[N+](=O)C(C(=O)c2ccccc2)N(O)C1(C)C	ZINC000002844826	168138786	/nfs/dbraw/zinc/13/87/86/168138786.db2.gz	ICWCFXRMNPAEHV-GFCCVEGCSA-N	1	1	248.282	1.650	50	30		BDEAMO
CC[N@@H+]1CCO[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000069706131	170004642	/nfs/dbraw/zinc/00/46/42/170004642.db2.gz	CCPWPQZBFOTXIX-LBPRGKRZSA-N	1	1	246.314	1.086	50	30		BDEAMO
CC[N@H+]1CCO[C@@H](CNc2ccc(C#N)cn2)C1	ZINC000069706131	170004644	/nfs/dbraw/zinc/00/46/44/170004644.db2.gz	CCPWPQZBFOTXIX-LBPRGKRZSA-N	1	1	246.314	1.086	50	30		BDEAMO
CN(C)/C=[NH+]/c1nonc1-c1ccccc1	ZINC000018189976	172352818	/nfs/dbraw/zinc/35/28/18/172352818.db2.gz	SYGAKUPMRSGIIO-XYOKQWHBSA-N	1	1	216.244	1.958	50	30		BDEAMO
C[N@H+]1CCc2c(C#N)c(N)sc(=S)c2C1	ZINC000019418267	173166580	/nfs/dbraw/zinc/16/65/80/173166580.db2.gz	TUVFPKLMFNWQFA-UHFFFAOYSA-N	1	1	237.353	1.919	50	30		BDEAMO
C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000007016516	176069803	/nfs/dbraw/zinc/06/98/03/176069803.db2.gz	YFYWPGZJCQBLLV-RISCZKNCSA-N	1	1	249.358	1.669	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21	ZINC000328586878	518728672	/nfs/dbraw/zinc/72/86/72/518728672.db2.gz	XTHKWFARLYXNLP-IHRRRGAJSA-N	1	1	238.375	1.340	50	30		BDEAMO
C=C1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1	ZINC000952878360	974057782	/nfs/dbraw/zinc/05/77/82/974057782.db2.gz	CQUWLUUQWAESND-NSHDSACASA-N	1	1	249.314	1.464	50	30		BDEAMO
C#CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000056513821	166171799	/nfs/dbraw/zinc/17/17/99/166171799.db2.gz	SVAORWFWNYGRSZ-LLVKDONJSA-N	1	1	238.331	1.609	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000056513821	166171803	/nfs/dbraw/zinc/17/18/03/166171803.db2.gz	SVAORWFWNYGRSZ-LLVKDONJSA-N	1	1	238.331	1.609	50	30		BDEAMO
C=CCO[C@@H]1CC[N@H+](Cc2cnn(CC)c2)C1	ZINC000097108608	398237876	/nfs/dbraw/zinc/23/78/76/398237876.db2.gz	OMUCQGMCQZJNRN-CYBMUJFWSA-N	1	1	235.331	1.680	50	30		BDEAMO
C#CC[N@H+](C)Cc1ccc(F)c(C#N)c1	ZINC000225402011	398309568	/nfs/dbraw/zinc/30/95/68/398309568.db2.gz	LRHWFCHXWOPCMB-UHFFFAOYSA-N	1	1	202.232	1.762	50	30		BDEAMO
CN(C)c1ccc(C[N+](=O)C(C)(C)/C=N/O)cc1	ZINC000000300048	344683219	/nfs/dbraw/zinc/68/32/19/344683219.db2.gz	GLDMRVFEDDVXQB-YLRSKPPNSA-N	1	1	249.314	1.920	50	30		BDEAMO
C=CCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000080654154	166377169	/nfs/dbraw/zinc/37/71/69/166377169.db2.gz	BBTPVWJNYNRFBD-GFCCVEGCSA-N	1	1	239.363	1.546	50	30		BDEAMO
N#Cc1ccc(OCCC[NH+]2CCOCC2)cc1	ZINC000020639665	181127192	/nfs/dbraw/zinc/12/71/92/181127192.db2.gz	SBCPMTIGBPCIGI-UHFFFAOYSA-N	1	1	246.310	1.659	50	30		BDEAMO
N#Cc1ccccc1C[N@H+]1CCC[C@H](O)C1	ZINC000020941333	181146146	/nfs/dbraw/zinc/14/61/46/181146146.db2.gz	DUGBIJCQRKDHGK-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCC[C@H](O)C1	ZINC000020941333	181146148	/nfs/dbraw/zinc/14/61/48/181146148.db2.gz	DUGBIJCQRKDHGK-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#CC1(NC(=O)C[NH+]2CCCCC2)CCCCC1	ZINC000032830755	354593146	/nfs/dbraw/zinc/59/31/46/354593146.db2.gz	RUKMSNCRZGPQDN-UHFFFAOYSA-N	1	1	249.358	1.815	50	30		BDEAMO
CCCCCC[N@@H+](C)CCCNC(=O)/C=N/O	ZINC000002230884	365397647	/nfs/dbraw/zinc/39/76/47/365397647.db2.gz	QDMOSUDHYLSPFA-SDNWHVSQSA-N	1	1	243.351	1.465	50	30		BDEAMO
CCC[N@H+]1CCCN(c2ccc(C#N)nc2)CC1	ZINC000195535305	169192522	/nfs/dbraw/zinc/19/25/22/169192522.db2.gz	ZDGIMHDMXLGCSL-UHFFFAOYSA-N	1	1	244.342	1.875	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)cc1C#N	ZINC000071889225	383939454	/nfs/dbraw/zinc/93/94/54/383939454.db2.gz	QJZWBBPIXZJFGR-NSHDSACASA-N	1	1	247.317	1.833	50	30		BDEAMO
C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cccc(C#N)c1	ZINC000097034515	384294130	/nfs/dbraw/zinc/29/41/30/384294130.db2.gz	IIRPFEJBJOXGEY-SMDDNHRTSA-N	1	1	247.342	1.131	50	30		BDEAMO
CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)o1	ZINC000097139303	384379546	/nfs/dbraw/zinc/37/95/46/384379546.db2.gz	WWGRCJFHKKEHRN-CQSZACIVSA-N	1	1	247.342	1.923	50	30		BDEAMO
C[C@H](CC#N)[NH+]1CCC(Cn2ccnn2)CC1	ZINC000096483872	385220679	/nfs/dbraw/zinc/22/06/79/385220679.db2.gz	CZRZYLZSMHTKGP-LLVKDONJSA-N	1	1	233.319	1.292	50	30		BDEAMO
C/C(Cc1ccccc1)=N\N1CC[NH+](C)CC1	ZINC000071773075	385939299	/nfs/dbraw/zinc/93/92/99/385939299.db2.gz	ZLPZATPSDASZFA-FYWRMAATSA-N	1	1	231.343	1.852	50	30		BDEAMO
N#CCC1(C[N@@H+]2CCc3n[nH]cc3C2)CC1	ZINC000585117103	386674892	/nfs/dbraw/zinc/67/48/92/386674892.db2.gz	QSJLTZCVELAFII-UHFFFAOYSA-N	1	1	216.288	1.462	50	30		BDEAMO
N#CCC1(C[N@H+]2CCc3n[nH]cc3C2)CC1	ZINC000585117103	386674896	/nfs/dbraw/zinc/67/48/96/386674896.db2.gz	QSJLTZCVELAFII-UHFFFAOYSA-N	1	1	216.288	1.462	50	30		BDEAMO
C#CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F	ZINC000072275456	387123540	/nfs/dbraw/zinc/12/35/40/387123540.db2.gz	IHJCHYBXJLDGGH-SFYZADRCSA-N	1	1	207.195	1.007	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F	ZINC000072275456	387123543	/nfs/dbraw/zinc/12/35/43/387123543.db2.gz	IHJCHYBXJLDGGH-SFYZADRCSA-N	1	1	207.195	1.007	50	30		BDEAMO
C=C(C)C[NH+]1CCN(c2cnccn2)CC1	ZINC000046504095	387420938	/nfs/dbraw/zinc/42/09/38/387420938.db2.gz	VULLTGOGRNJAOQ-UHFFFAOYSA-N	1	1	218.304	1.175	50	30		BDEAMO
CC[N@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1	ZINC000191725528	387823816	/nfs/dbraw/zinc/82/38/16/387823816.db2.gz	WPDYUJDFRFWWCF-UHFFFAOYSA-N	1	1	235.262	1.005	50	30		BDEAMO
CC[N@@H+](CC(N)=O)Cc1ccc(F)c(C#N)c1	ZINC000191725528	387823818	/nfs/dbraw/zinc/82/38/18/387823818.db2.gz	WPDYUJDFRFWWCF-UHFFFAOYSA-N	1	1	235.262	1.005	50	30		BDEAMO
C=C(C)C[NH+]1CCN(c2nccc(OC)n2)CC1	ZINC000069568877	132397395	/nfs/dbraw/zinc/39/73/95/132397395.db2.gz	AOWOHJRMHYLWPM-UHFFFAOYSA-N	1	1	248.330	1.183	50	30		BDEAMO
C=CC[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000044871185	166321923	/nfs/dbraw/zinc/32/19/23/166321923.db2.gz	NKZWUXOLTUCZIR-LLVKDONJSA-N	1	1	219.284	1.944	50	30		BDEAMO
C=CC[N@H+](Cc1ccc(C)s1)C[C@H](O)CO	ZINC000055211397	166347666	/nfs/dbraw/zinc/34/76/66/166347666.db2.gz	CFCCPOKVIKECJD-NSHDSACASA-N	1	1	241.356	1.398	50	30		BDEAMO
C=CCNC(=O)C[N@@H+](C)CC1CCCCC1	ZINC000043999867	166364566	/nfs/dbraw/zinc/36/45/66/166364566.db2.gz	ATQZQDOODNDUKD-UHFFFAOYSA-N	1	1	224.348	1.801	50	30		BDEAMO
C=CCNC(=O)C[N@@H+](C1CC1)C1CCCC1	ZINC000057619643	166366085	/nfs/dbraw/zinc/36/60/85/166366085.db2.gz	DTUWTSSVBBSOLS-UHFFFAOYSA-N	1	1	222.332	1.696	50	30		BDEAMO
CC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)cc1	ZINC000049337588	411231734	/nfs/dbraw/zinc/23/17/34/411231734.db2.gz	ZVMUWLXGMVSAEV-UHFFFAOYSA-N	1	1	246.314	1.631	50	30		BDEAMO
C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000012370637	173017116	/nfs/dbraw/zinc/01/71/16/173017116.db2.gz	LWRMQRYMWJWCLS-UHFFFAOYSA-N	1	1	215.300	1.700	50	30		BDEAMO
C[NH+]1CCN(/N=C/C=C/c2ccccc2)CC1	ZINC000002928035	173065213	/nfs/dbraw/zinc/06/52/13/173065213.db2.gz	ONKOHLDHCUFDRA-MSNJMMSUSA-N	1	1	229.327	1.933	50	30		BDEAMO
COCCN1CC[N@@H+](CCCCC#N)C[C@@H]1C	ZINC000069840390	174310315	/nfs/dbraw/zinc/31/03/15/174310315.db2.gz	MNMXGUZEJODFTB-ZDUSSCGKSA-N	1	1	239.363	1.333	50	30		BDEAMO
COCC[N@@H+]1CCN(CCCCC#N)C[C@@H]1C	ZINC000069840390	174310317	/nfs/dbraw/zinc/31/03/17/174310317.db2.gz	MNMXGUZEJODFTB-ZDUSSCGKSA-N	1	1	239.363	1.333	50	30		BDEAMO
COCC[N@H+]1CCN(CCCCC#N)C[C@@H]1C	ZINC000069840390	174310319	/nfs/dbraw/zinc/31/03/19/174310319.db2.gz	MNMXGUZEJODFTB-ZDUSSCGKSA-N	1	1	239.363	1.333	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1	ZINC000328588830	518727355	/nfs/dbraw/zinc/72/73/55/518727355.db2.gz	RFQHJDSIHSMIEA-FPMFFAJLSA-N	1	1	239.359	1.813	50	30		BDEAMO
CCC(=O)O[C@]1(C#N)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000253390133	642641696	/nfs/dbraw/zinc/64/16/96/642641696.db2.gz	AOXVKLXGIXLVEW-SCVCMEIPSA-N	1	1	224.304	1.562	50	30		BDEAMO
C=C1CCC[N@H+](Cc2cn(C)nc2C)C1	ZINC000667619412	987244978	/nfs/dbraw/zinc/24/49/78/987244978.db2.gz	HUKIGFADAFCLEQ-UHFFFAOYSA-N	1	1	205.305	1.881	50	30		BDEAMO
C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C)C1	ZINC000067446623	343088067	/nfs/dbraw/zinc/08/80/67/343088067.db2.gz	URPWYJCEVRHGLV-NSHDSACASA-N	1	1	224.348	1.657	50	30		BDEAMO
CN[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000252618209	345552226	/nfs/dbraw/zinc/55/22/26/345552226.db2.gz	LEZNHIUOPYWCLW-UHFFFAOYSA-N	1	1	248.286	1.748	50	30		BDEAMO
C#CC[N@@H+]1[C@H](CO)CSC[C@H]1c1ccccc1	ZINC000685939724	537928913	/nfs/dbraw/zinc/92/89/13/537928913.db2.gz	SMAIGHQEQSUDMJ-KGLIPLIRSA-N	1	1	247.363	1.771	50	30		BDEAMO
C#CC[N@H+]1[C@H](CO)CSC[C@H]1c1ccccc1	ZINC000685939724	537928918	/nfs/dbraw/zinc/92/89/18/537928918.db2.gz	SMAIGHQEQSUDMJ-KGLIPLIRSA-N	1	1	247.363	1.771	50	30		BDEAMO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CC#CCO)C2	ZINC000002101278	363124656	/nfs/dbraw/zinc/12/46/56/363124656.db2.gz	QBGALNXQANLJMS-TZMCWYRMSA-N	1	1	221.344	1.883	50	30	biogenic	BDEAMO
C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CC	ZINC000057828684	166365247	/nfs/dbraw/zinc/36/52/47/166365247.db2.gz	PPWJXKZPIRTJGT-NSHDSACASA-N	1	1	210.321	1.553	50	30		BDEAMO
C#CCNC(=O)C[N@H+](CC)C1CCCCC1	ZINC000040473261	188131401	/nfs/dbraw/zinc/13/14/01/188131401.db2.gz	CSBVCAYUZYUUNI-UHFFFAOYSA-N	1	1	222.332	1.390	50	30		BDEAMO
C#CC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1	ZINC000192224074	188223310	/nfs/dbraw/zinc/22/33/10/188223310.db2.gz	AVWRHNQQYUNZBE-UHFFFAOYSA-N	1	1	230.271	1.140	50	30		BDEAMO
C#CC[N@H+](C)Cc1cc(-c2cnn(C)c2)no1	ZINC000192224074	188223312	/nfs/dbraw/zinc/22/33/12/188223312.db2.gz	AVWRHNQQYUNZBE-UHFFFAOYSA-N	1	1	230.271	1.140	50	30		BDEAMO
CC#CCCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000095945455	188223603	/nfs/dbraw/zinc/22/36/03/188223603.db2.gz	DSJGEYDAMBLJPW-LBPRGKRZSA-N	1	1	222.332	1.377	50	30		BDEAMO
CCOc1ccc2c(C)nc(NC(N)=[NH2+])nc2c1	ZINC000019702845	359951274	/nfs/dbraw/zinc/95/12/74/359951274.db2.gz	PUCBAAPCIKBUSV-UHFFFAOYSA-N	1	1	245.286	1.242	50	30	biogenic	BDEAMO
[NH3+]CC#CCN1CCc2ccccc2C1	ZINC000075172911	181345993	/nfs/dbraw/zinc/34/59/93/181345993.db2.gz	CFYUUPMQILIHDQ-UHFFFAOYSA-N	1	1	200.285	1.007	50	30		BDEAMO
CCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1	ZINC000040540772	373462471	/nfs/dbraw/zinc/46/24/71/373462471.db2.gz	QNGLJLFHKQFNME-UHFFFAOYSA-N	1	1	245.326	1.646	50	30		BDEAMO
OCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000055095337	183040614	/nfs/dbraw/zinc/04/06/14/183040614.db2.gz	MRVBVDZIMYCBGU-HNNXBMFYSA-N	1	1	244.338	1.994	50	30	biogenic	BDEAMO
CCC[N@H+]1CCc2c(C#N)c(N)sc2C1	ZINC000002239790	169209105	/nfs/dbraw/zinc/20/91/05/169209105.db2.gz	CQDZOXMVRVXEOZ-UHFFFAOYSA-N	1	1	221.329	1.970	50	30		BDEAMO
CSC(=[NH2+])NC1=NN(c2ccccc2)CC1	ZINC000005007543	385285703	/nfs/dbraw/zinc/28/57/03/385285703.db2.gz	IJQHGSZAEBMKHZ-UHFFFAOYSA-N	1	1	234.328	1.888	50	30		BDEAMO
C[C@H](CC#N)[N@@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000095973127	385954806	/nfs/dbraw/zinc/95/48/06/385954806.db2.gz	QFBGPRWATJXKON-NEPJUHHUSA-N	1	1	233.319	1.292	50	30		BDEAMO
C[C@H](CC#N)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000095973127	385954817	/nfs/dbraw/zinc/95/48/17/385954817.db2.gz	QFBGPRWATJXKON-NEPJUHHUSA-N	1	1	233.319	1.292	50	30		BDEAMO
C#CC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000020365699	533158045	/nfs/dbraw/zinc/15/80/45/533158045.db2.gz	NCKAHDKFQUGVKS-UHFFFAOYSA-N	1	1	218.275	1.581	50	30		BDEAMO
C#CC[NH+]1CCN(c2ccccc2)CC1	ZINC000041634904	533158089	/nfs/dbraw/zinc/15/80/89/533158089.db2.gz	HXCMCQTZVAVXOZ-UHFFFAOYSA-N	1	1	200.285	1.442	50	30		BDEAMO
Cn1cc(C[N@@H+](C)C[C@@H]2CCCO2)cc1C#N	ZINC000191217233	387353970	/nfs/dbraw/zinc/35/39/70/387353970.db2.gz	BAICEOAQZDVLTN-ZDUSSCGKSA-N	1	1	233.315	1.508	50	30		BDEAMO
CC(C)CC(N)=[NH+]OC[C@@H](O)COC(C)C	ZINC000089508336	387984435	/nfs/dbraw/zinc/98/44/35/387984435.db2.gz	FHQJAVUXBYPNCL-JTQLQIEISA-N	1	1	232.324	1.107	50	30		BDEAMO
CC[C@H]1CN(CCCC#N)CC[N@H+]1C[C@H](C)O	ZINC000106906714	388598856	/nfs/dbraw/zinc/59/88/56/388598856.db2.gz	PPMRQOXIQLAMKQ-STQMWFEESA-N	1	1	239.363	1.067	50	30		BDEAMO
C=CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000097084411	388833871	/nfs/dbraw/zinc/83/38/71/388833871.db2.gz	OYUOCBIJPCJSRR-WYUUTHIRSA-N	1	1	241.331	1.195	50	30		BDEAMO
C=CCNC(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000357743772	134185113	/nfs/dbraw/zinc/18/51/13/134185113.db2.gz	NKZZTABIICXVPO-UHFFFAOYSA-N	1	1	223.320	1.124	50	30		BDEAMO
CC(C)c1nnc2n1CC[N@@H+](CCCCC#N)C2	ZINC000072253026	397986809	/nfs/dbraw/zinc/98/68/09/397986809.db2.gz	GMWQUZUTUQDSCL-UHFFFAOYSA-N	1	1	247.346	1.911	50	30		BDEAMO
CC(C)c1nnc2n1CC[N@H+](CCCCC#N)C2	ZINC000072253026	397986810	/nfs/dbraw/zinc/98/68/10/397986810.db2.gz	GMWQUZUTUQDSCL-UHFFFAOYSA-N	1	1	247.346	1.911	50	30		BDEAMO
C#CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1	ZINC000016578556	166113413	/nfs/dbraw/zinc/11/34/13/166113413.db2.gz	QBIWSPOTLCNNAA-CHWSQXEVSA-N	1	1	239.359	1.508	50	30		BDEAMO
C#CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1	ZINC000035052911	166113448	/nfs/dbraw/zinc/11/34/48/166113448.db2.gz	QBIWSPOTLCNNAA-OLZOCXBDSA-N	1	1	239.359	1.508	50	30		BDEAMO
CCC(=O)O[C@]1(C#N)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000022205492	168251672	/nfs/dbraw/zinc/25/16/72/168251672.db2.gz	AOXVKLXGIXLVEW-NHCYSSNCSA-N	1	1	224.304	1.562	50	30		BDEAMO
Cn1c(N)c(C#N)c2c(c1=S)C[N@@H+](C)CC2	ZINC000019904947	173167820	/nfs/dbraw/zinc/16/78/20/173167820.db2.gz	VRXMKHDSTBULIQ-UHFFFAOYSA-N	1	1	234.328	1.196	50	30		BDEAMO
C[C@@H]1C[N@@H+](CCCC#N)CCN1CCCC#N	ZINC000076944980	176287678	/nfs/dbraw/zinc/28/76/78/176287678.db2.gz	USUJWDQBPFUKCB-CYBMUJFWSA-N	1	1	234.347	1.600	50	30		BDEAMO
C[C@@H]1CN(CCCC#N)CC[N@@H+]1CCCC#N	ZINC000076944980	176287680	/nfs/dbraw/zinc/28/76/80/176287680.db2.gz	USUJWDQBPFUKCB-CYBMUJFWSA-N	1	1	234.347	1.600	50	30		BDEAMO
C[C@@H]1CN(CCCC#N)CC[N@H+]1CCCC#N	ZINC000076944980	176287682	/nfs/dbraw/zinc/28/76/82/176287682.db2.gz	USUJWDQBPFUKCB-CYBMUJFWSA-N	1	1	234.347	1.600	50	30		BDEAMO
C[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000007016213	177096380	/nfs/dbraw/zinc/09/63/80/177096380.db2.gz	NRNMEMRVIBJUGY-FZMZJTMJSA-N	1	1	249.358	1.527	50	30		BDEAMO
C=C(C)C[N@H+](C)CC(C)(C)CN1CCOCC1	ZINC000123819311	518589600	/nfs/dbraw/zinc/58/96/00/518589600.db2.gz	OQXBEXUWINXDRM-UHFFFAOYSA-N	1	1	240.391	1.853	50	30		BDEAMO
N#CCC[C@H](C#N)C[N@H+]1CC[C@]2(CCOC2)C1	ZINC000246437805	526465403	/nfs/dbraw/zinc/46/54/03/526465403.db2.gz	NSBJLKMBKBJQGB-OLZOCXBDSA-N	1	1	233.315	1.542	50	30		BDEAMO
Cc1[nH]c(C[N@@H+](C)C[C@H]2CCOC2)cc1C#N	ZINC000584902077	342713854	/nfs/dbraw/zinc/71/38/54/342713854.db2.gz	KBTCYMVDLYSGCM-LLVKDONJSA-N	1	1	233.315	1.663	50	30		BDEAMO
C[NH+](C)CC(=O)Nc1ccccc1C#N	ZINC000004832134	398324994	/nfs/dbraw/zinc/32/49/94/398324994.db2.gz	JFANJAKGRPPATD-UHFFFAOYSA-N	1	1	203.245	1.058	50	30		BDEAMO
C[N@@H+](CC(=O)NCCC#N)C1CCCCCC1	ZINC000029167152	343136927	/nfs/dbraw/zinc/13/69/27/343136927.db2.gz	KXWGIZDALSBNCQ-UHFFFAOYSA-N	1	1	237.347	1.671	50	30		BDEAMO
C#CC[N@H+](C)[C@@H](CCO)c1ccccc1	ZINC000078947764	187396698	/nfs/dbraw/zinc/39/66/98/187396698.db2.gz	ZVOWMMAMMGTCPW-ZDUSSCGKSA-N	1	1	203.285	1.675	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO	ZINC000230177096	166304511	/nfs/dbraw/zinc/30/45/11/166304511.db2.gz	YPBAZLVAFLAQDD-FRRDWIJNSA-N	1	1	227.348	1.406	50	30		BDEAMO
C[N+](=O)Cc1coc2ccccc2c1=O	ZINC000005382411	188081508	/nfs/dbraw/zinc/08/15/08/188081508.db2.gz	KRFHOENCKPLDTF-WUXMJOGZSA-N	1	1	203.197	1.352	50	30		BDEAMO
C=C(C)C[NH+]1CCN(CCOCC)CC1	ZINC000069627124	188131954	/nfs/dbraw/zinc/13/19/54/188131954.db2.gz	ZOKPEDFRRPDVIE-UHFFFAOYSA-N	1	1	212.337	1.217	50	30		BDEAMO
C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C)ccn1	ZINC000069586517	188132118	/nfs/dbraw/zinc/13/21/18/188132118.db2.gz	CACUDGWOMOABQA-UHFFFAOYSA-N	1	1	233.315	1.836	50	30		BDEAMO
C=C(C)C[N@H+](C)CC(=O)Nc1cc(C)ccn1	ZINC000069586517	188132119	/nfs/dbraw/zinc/13/21/19/188132119.db2.gz	CACUDGWOMOABQA-UHFFFAOYSA-N	1	1	233.315	1.836	50	30		BDEAMO
C=CC[N@@H+]1CCCN(Cc2noc(C)n2)CC1	ZINC000075603175	353322294	/nfs/dbraw/zinc/32/22/94/353322294.db2.gz	XCKLSYOOOZPBRY-UHFFFAOYSA-N	1	1	236.319	1.072	50	30		BDEAMO
[NH2+]=C(NCCN1CCCCC1)NCC1CCC1	ZINC000075583735	359335159	/nfs/dbraw/zinc/33/51/59/359335159.db2.gz	IDGXSJYFSJSNGQ-UHFFFAOYSA-N	1	1	238.379	1.177	50	30		BDEAMO
CC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741489	374286017	/nfs/dbraw/zinc/28/60/17/374286017.db2.gz	RVQAHOJCURBUMA-JTQLQIEISA-N	1	1	231.299	1.426	50	30		BDEAMO
C=C(Br)C[N@@H+](C)C(C)(C)CO	ZINC000071915027	384186458	/nfs/dbraw/zinc/18/64/58/384186458.db2.gz	NJOBHEYNLYOIJY-UHFFFAOYSA-N	1	1	222.126	1.598	50	30		BDEAMO
C=C(Br)C[N@H+](C)C(C)(C)CO	ZINC000071915027	384186464	/nfs/dbraw/zinc/18/64/64/384186464.db2.gz	NJOBHEYNLYOIJY-UHFFFAOYSA-N	1	1	222.126	1.598	50	30		BDEAMO
Cc1nccc(N2CC[NH+](CCCC#N)CC2)n1	ZINC000097135271	384702973	/nfs/dbraw/zinc/70/29/73/384702973.db2.gz	NCOXPNDPJAHFRT-UHFFFAOYSA-N	1	1	245.330	1.211	50	30		BDEAMO
CC(C)(/C=N/O)[N+](=O)Cc1ccncc1	ZINC000013756558	385417768	/nfs/dbraw/zinc/41/77/68/385417768.db2.gz	AJDZONKHXVQUQX-UPAULDTKSA-N	1	1	207.233	1.249	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000058283213	386293590	/nfs/dbraw/zinc/29/35/90/386293590.db2.gz	KZNWBKRNYUEQAR-UHFFFAOYSA-N	1	1	230.739	1.539	50	30		BDEAMO
C=C(Cl)CN1CCC[N@H+](CC)CC1	ZINC000069531384	388419311	/nfs/dbraw/zinc/41/93/11/388419311.db2.gz	OLHCBUTYMNWGJO-UHFFFAOYSA-N	1	1	202.729	1.767	50	30		BDEAMO
C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1	ZINC000095993814	388802041	/nfs/dbraw/zinc/80/20/41/388802041.db2.gz	ZYKZEXTWTOMJBH-YPMHNXCESA-N	1	1	230.311	1.761	50	30		BDEAMO
C#CC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1	ZINC000280335297	388781250	/nfs/dbraw/zinc/78/12/50/388781250.db2.gz	HYROYAHXRIVTIC-LBPRGKRZSA-N	1	1	216.284	1.168	50	30		BDEAMO
C=CCn1cc([C@@H]2[NH2+]CCc3nc[nH]c32)c(C)n1	ZINC000067692150	322899781	/nfs/dbraw/zinc/89/97/81/322899781.db2.gz	BTPFARGOYCFUDR-LBPRGKRZSA-N	1	1	243.314	1.336	50	30		BDEAMO
C=CC[N@H+](CC(=O)NC1CC1)Cc1ccccc1	ZINC000045796691	166324094	/nfs/dbraw/zinc/32/40/94/166324094.db2.gz	PJODIEVUZKDNJG-UHFFFAOYSA-N	1	1	244.338	1.953	50	30		BDEAMO
C=CC[N@@H+](CC(=O)NC1CC1)Cc1ccccc1	ZINC000045796691	166324096	/nfs/dbraw/zinc/32/40/96/166324096.db2.gz	PJODIEVUZKDNJG-UHFFFAOYSA-N	1	1	244.338	1.953	50	30		BDEAMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)n1C	ZINC000662081329	411980050	/nfs/dbraw/zinc/98/00/50/411980050.db2.gz	VRDXUWJGDSQXHT-TXEJJXNPSA-N	1	1	232.331	1.807	50	30		BDEAMO
CC[C@H](C)NC(=[NH2+])NC[C@@H](C)N(CC)CC	ZINC000058185109	171245858	/nfs/dbraw/zinc/24/58/58/171245858.db2.gz	BFEQEGODLFGMMD-WDEREUQCSA-N	1	1	228.384	1.420	50	30		BDEAMO
C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000020246541	173019595	/nfs/dbraw/zinc/01/95/95/173019595.db2.gz	IKPGDAXCPQFABZ-UHFFFAOYSA-N	1	1	216.288	1.095	50	30		BDEAMO
C[NH+]1CCN(/C=C2\CCCCC2=O)CC1	ZINC000025326446	173064481	/nfs/dbraw/zinc/06/44/81/173064481.db2.gz	LCEQFYQIPKWKAS-ZHACJKMWSA-N	1	1	208.305	1.261	50	30		BDEAMO
C#CC[N@H+](Cc1cnn(CC)c1)CC1CC1	ZINC000092099195	518262907	/nfs/dbraw/zinc/26/29/07/518262907.db2.gz	YALLMISRTHQTEG-UHFFFAOYSA-N	1	1	217.316	1.748	50	30		BDEAMO
CCn1cc(C[N@@H+](C)CC2(C)COC2)cc1C#N	ZINC000826773309	968679122	/nfs/dbraw/zinc/67/91/22/968679122.db2.gz	JPLWKOHWJHLFOO-UHFFFAOYSA-N	1	1	247.342	1.848	50	30		BDEAMO
C#CC[N@H+](CC(OC)OC)C1CCCC1	ZINC000161526863	398301292	/nfs/dbraw/zinc/30/12/92/398301292.db2.gz	QTOAZMOAQFKGIR-UHFFFAOYSA-N	1	1	211.305	1.483	50	30		BDEAMO
CCC(CC)[C@H](CNC(=[NH2+])N(C)C)N(C)C	ZINC000072272430	343127144	/nfs/dbraw/zinc/12/71/44/343127144.db2.gz	WRPOPOWEKOGKOT-NSHDSACASA-N	1	1	228.384	1.229	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CO	ZINC000230177102	166303728	/nfs/dbraw/zinc/30/37/28/166303728.db2.gz	YPBAZLVAFLAQDD-RWMBFGLXSA-N	1	1	227.348	1.406	50	30		BDEAMO
Cc1[nH+]ccn1CCCNc1ncccc1C#N	ZINC000078333567	180248161	/nfs/dbraw/zinc/24/81/61/180248161.db2.gz	FLRHGRSIDQTGRT-UHFFFAOYSA-N	1	1	241.298	1.960	50	30		BDEAMO
C=C1CC[NH+]([C@@H](CC)C(=O)OCC)CC1	ZINC000252479914	188086017	/nfs/dbraw/zinc/08/60/17/188086017.db2.gz	BPUGXLMOBPRMAJ-NSHDSACASA-N	1	1	211.305	1.980	50	30		BDEAMO
C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1	ZINC000036397117	188103945	/nfs/dbraw/zinc/10/39/45/188103945.db2.gz	BLRPUGUDOHGOQG-LBPRGKRZSA-N	1	1	248.351	1.634	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccsc1	ZINC000036397117	188103947	/nfs/dbraw/zinc/10/39/47/188103947.db2.gz	BLRPUGUDOHGOQG-LBPRGKRZSA-N	1	1	248.351	1.634	50	30		BDEAMO
N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1	ZINC000042222056	188119944	/nfs/dbraw/zinc/11/99/44/188119944.db2.gz	ZDVBADHMALWSGN-CQSZACIVSA-N	1	1	230.311	1.905	50	30		BDEAMO
N#CCC[NH2+]C[C@H]1COc2ccccc2O1	ZINC000002193441	188159285	/nfs/dbraw/zinc/15/92/85/188159285.db2.gz	HDZVEVLDKLYESK-JTQLQIEISA-N	1	1	218.256	1.330	50	30		BDEAMO
C=CCC(=O)N1CCC2(CC[N@H+](C)C2)CC1	ZINC000065455905	188224496	/nfs/dbraw/zinc/22/44/96/188224496.db2.gz	SGEQUVQEZFBYHC-UHFFFAOYSA-N	1	1	222.332	1.507	50	30		BDEAMO
N#C[C@@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1	ZINC000048252171	181053993	/nfs/dbraw/zinc/05/39/93/181053993.db2.gz	OZRKCVSFDSKHPT-UONOGXRCSA-N	1	1	230.311	1.956	50	30		BDEAMO
N#C[C@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1	ZINC000048252167	181063809	/nfs/dbraw/zinc/06/38/09/181063809.db2.gz	OZRKCVSFDSKHPT-ZIAGYGMSSA-N	1	1	230.311	1.956	50	30		BDEAMO
N#Cc1ccc(NCCC[NH+]2CCOCC2)nc1	ZINC000037389215	181121076	/nfs/dbraw/zinc/12/10/76/181121076.db2.gz	HMYYTAVQZIQEEF-UHFFFAOYSA-N	1	1	246.314	1.087	50	30		BDEAMO
C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCC2)C1	ZINC000007787500	541446386	/nfs/dbraw/zinc/44/63/86/541446386.db2.gz	NQCLMGFWWFWSQB-LBPRGKRZSA-N	1	1	249.358	1.671	50	30		BDEAMO
C=CC[N@H+](C)CCN(CC)C(=O)c1c[nH]cc1C	ZINC000408523288	384286660	/nfs/dbraw/zinc/28/66/60/384286660.db2.gz	QQOOBNTZEJKWIG-UHFFFAOYSA-N	1	1	249.358	1.903	50	30		BDEAMO
CC(C)CC12CN3CC(C[N@@H+](C1)CC3)/C2=N/O	ZINC000100820855	384653686	/nfs/dbraw/zinc/65/36/86/384653686.db2.gz	MCGCWNGBOJJTEP-OWBHPGMISA-N	1	1	237.347	1.110	50	30		BDEAMO
CCOCC[N@H+]1CCN([C@H](C)CC#N)C[C@H]1C	ZINC000247136633	384852573	/nfs/dbraw/zinc/85/25/73/384852573.db2.gz	KQHKEJWOVFHYPY-CHWSQXEVSA-N	1	1	239.363	1.331	50	30		BDEAMO
N#Cc1ccc([C@H](O)C[N@H+]2CCCOCC2)cc1	ZINC000061918463	385002584	/nfs/dbraw/zinc/00/25/84/385002584.db2.gz	HBLQILBOSWAXAV-CQSZACIVSA-N	1	1	246.310	1.314	50	30		BDEAMO
N#CCC[NH2+]C[C@@H]1COc2ccccc2O1	ZINC000004728578	386479983	/nfs/dbraw/zinc/47/99/83/386479983.db2.gz	HDZVEVLDKLYESK-SNVBAGLBSA-N	1	1	218.256	1.330	50	30		BDEAMO
C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)s1	ZINC000130788014	388586313	/nfs/dbraw/zinc/58/63/13/388586313.db2.gz	JRTWQZSRWAQRQH-MRVPVSSYSA-N	1	1	210.302	1.432	50	30		BDEAMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1	ZINC000328706519	388740013	/nfs/dbraw/zinc/74/00/13/388740013.db2.gz	AJTIFKBHVTZXHN-ZJUUUORDSA-N	1	1	207.277	1.341	50	30		BDEAMO
C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000004754733	132317117	/nfs/dbraw/zinc/31/71/17/132317117.db2.gz	FTXUQLQDIMEMQN-UHFFFAOYSA-N	1	1	246.270	1.218	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CCC(=O)[C@H]2CCC[C@@H]21	ZINC000019626599	166110813	/nfs/dbraw/zinc/11/08/13/166110813.db2.gz	FZSAALMSLBQPTN-QWRGUYRKSA-N	1	1	205.301	1.842	50	30		BDEAMO
C=CC[N@H+](Cc1nccc(N)n1)C1CCCC1	ZINC000097020575	166348624	/nfs/dbraw/zinc/34/86/24/166348624.db2.gz	CTVMOHFLVGCKJM-UHFFFAOYSA-N	1	1	232.331	1.989	50	30		BDEAMO
C=CC[N@@H+](Cc1nccc(N)n1)C1CCCC1	ZINC000097020575	166348622	/nfs/dbraw/zinc/34/86/22/166348622.db2.gz	CTVMOHFLVGCKJM-UHFFFAOYSA-N	1	1	232.331	1.989	50	30		BDEAMO
C=CCN1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000069840630	166354835	/nfs/dbraw/zinc/35/48/35/166354835.db2.gz	OPZOKQKAKRQNBX-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
CC[C@@H]1CN(CCCC#N)CC[N@H+]1C[C@H](C)O	ZINC000106906712	171079594	/nfs/dbraw/zinc/07/95/94/171079594.db2.gz	PPMRQOXIQLAMKQ-QWHCGFSZSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1	ZINC000170604812	173024633	/nfs/dbraw/zinc/02/46/33/173024633.db2.gz	ZHELMIHGWCCGQK-CYBMUJFWSA-N	1	1	243.310	1.785	50	30		BDEAMO
C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1	ZINC000170604814	173050693	/nfs/dbraw/zinc/05/06/93/173050693.db2.gz	ZHELMIHGWCCGQK-ZDUSSCGKSA-N	1	1	243.310	1.785	50	30		BDEAMO
C[NH+]1CCN(C2=CC(=O)CC(C)(C)C2)CC1	ZINC000033850731	173076265	/nfs/dbraw/zinc/07/62/65/173076265.db2.gz	OUUOHGYXUMMUBZ-UHFFFAOYSA-N	1	1	222.332	1.507	50	30		BDEAMO
C[N@H+]1CC[C@@H]2CCN(c3ccc(C#N)nc3)[C@@H]2C1	ZINC000272206604	173132176	/nfs/dbraw/zinc/13/21/76/173132176.db2.gz	PNCBSBVGEZOMEF-BXUZGUMPSA-N	1	1	242.326	1.484	50	30		BDEAMO
C[C@@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1	ZINC000035237077	176335977	/nfs/dbraw/zinc/33/59/77/176335977.db2.gz	ODXGCQHHMPPWOP-GFCCVEGCSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1	ZINC000035237077	176335978	/nfs/dbraw/zinc/33/59/78/176335978.db2.gz	ODXGCQHHMPPWOP-GFCCVEGCSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000105927735	177074301	/nfs/dbraw/zinc/07/43/01/177074301.db2.gz	YFYWPGZJCQBLLV-SMDDNHRTSA-N	1	1	249.358	1.669	50	30		BDEAMO
C[C@@H](O)C[N@H+]1CCN(CCCCC#N)C[C@@H]1C	ZINC000071864621	177247518	/nfs/dbraw/zinc/24/75/18/177247518.db2.gz	LHPOTDQCWFJUFP-QWHCGFSZSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@@H](O)CN1CC[N@H+](CCCCC#N)C[C@@H]1C	ZINC000071864621	177247521	/nfs/dbraw/zinc/24/75/21/177247521.db2.gz	LHPOTDQCWFJUFP-QWHCGFSZSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@@H](O)CN1CC[N@@H+](CCCCC#N)C[C@@H]1C	ZINC000071864621	177247522	/nfs/dbraw/zinc/24/75/22/177247522.db2.gz	LHPOTDQCWFJUFP-QWHCGFSZSA-N	1	1	239.363	1.067	50	30		BDEAMO
Cc1[nH+]ccn1CC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000670455097	487507793	/nfs/dbraw/zinc/50/77/93/487507793.db2.gz	FMPVNYKIURKIDH-ZDUSSCGKSA-N	1	1	246.314	1.344	50	30		BDEAMO
C[N@H+](CCC#N)[C@H]1CC(=O)CCC1(C)C	ZINC000725361314	711664243	/nfs/dbraw/zinc/66/42/43/711664243.db2.gz	MUHUQXNKVZZJJG-NSHDSACASA-N	1	1	208.305	1.980	50	30		BDEAMO
C[N@@H+](CCC#N)[C@H]1CC(=O)CCC1(C)C	ZINC000725361314	711664245	/nfs/dbraw/zinc/66/42/45/711664245.db2.gz	MUHUQXNKVZZJJG-NSHDSACASA-N	1	1	208.305	1.980	50	30		BDEAMO
C[C@@H](CC(N)=O)[N@@H+](C)Cc1ccccc1C#N	ZINC001506421647	988780063	/nfs/dbraw/zinc/78/00/63/988780063.db2.gz	KKSUMRGCMWBXGE-JTQLQIEISA-N	1	1	231.299	1.254	50	30		BDEAMO
C=CCO[C@@H]1CC[N@H+](Cc2cccn2C)C1	ZINC000097108606	398237836	/nfs/dbraw/zinc/23/78/36/398237836.db2.gz	PPWDKOAXWOZGTE-CYBMUJFWSA-N	1	1	220.316	1.802	50	30		BDEAMO
N#CCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1	ZINC000097227398	398259289	/nfs/dbraw/zinc/25/92/89/398259289.db2.gz	ZGGIMMGYMFKJIZ-VIFPVBQESA-N	1	1	236.237	1.679	50	30		BDEAMO
C=C(Cl)C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000069489535	398329962	/nfs/dbraw/zinc/32/99/62/398329962.db2.gz	ZEIPBDHATRIXCB-JTQLQIEISA-N	1	1	231.723	1.824	50	30		BDEAMO
CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1OC	ZINC000234868784	344403483	/nfs/dbraw/zinc/40/34/83/344403483.db2.gz	DTMHAIYJMLKPLJ-OKILXGFUSA-N	1	1	246.310	1.404	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO	ZINC000195547663	166304482	/nfs/dbraw/zinc/30/44/82/166304482.db2.gz	YPBAZLVAFLAQDD-AGIUHOORSA-N	1	1	227.348	1.406	50	30		BDEAMO
C#CC[N@H+](Cc1nc(C)ccc1O)CC1CC1	ZINC000092099196	191003585	/nfs/dbraw/zinc/00/35/85/191003585.db2.gz	VTJTYJXBEOBSRM-UHFFFAOYSA-N	1	1	230.311	1.941	50	30		BDEAMO
C=CCN(CC=C)C(=O)C[NH+]1CCSCC1	ZINC000047987139	166329350	/nfs/dbraw/zinc/32/93/50/166329350.db2.gz	QWCQTLKKWUTYEY-UHFFFAOYSA-N	1	1	240.372	1.236	50	30		BDEAMO
C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)OCC)C1	ZINC000047795191	188218940	/nfs/dbraw/zinc/21/89/40/188218940.db2.gz	SAVZIFXFPJSBQJ-LLVKDONJSA-N	1	1	226.320	1.773	50	30		BDEAMO
N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1	ZINC000029597174	181112373	/nfs/dbraw/zinc/11/23/73/181112373.db2.gz	OCTSDSPHMDNBKT-GFCCVEGCSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c1	ZINC000029597174	181112374	/nfs/dbraw/zinc/11/23/74/181112374.db2.gz	OCTSDSPHMDNBKT-GFCCVEGCSA-N	1	1	234.274	1.654	50	30		BDEAMO
C[N@H+]1CCCC[C@@H]1COc1cc(C#N)ccn1	ZINC000088165637	538571749	/nfs/dbraw/zinc/57/17/49/538571749.db2.gz	QRKXCEMPQDWXOT-GFCCVEGCSA-N	1	1	231.299	1.816	50	30		BDEAMO
CCCCC12CN3CC(C[N@@H+](C1)CC3)C2=NO	ZINC000252624171	358217299	/nfs/dbraw/zinc/21/72/99/358217299.db2.gz	PIHHORLYXRGOLW-UHFFFAOYSA-N	1	1	237.347	1.254	50	30		BDEAMO
CN(C)N=Cc1ccc(C=[NH+]N(C)C)cc1	ZINC000252635030	364660571	/nfs/dbraw/zinc/66/05/71/364660571.db2.gz	WTNJKAHRXJCGPH-UHFFFAOYSA-N	1	1	218.304	1.478	50	30		BDEAMO
C=C(C)C[N@H+](CC)[C@H]1CCN(C(C)C)C1=O	ZINC000095442097	384002912	/nfs/dbraw/zinc/00/29/12/384002912.db2.gz	LEOGQOZRQUTFBB-LBPRGKRZSA-N	1	1	224.348	1.894	50	30		BDEAMO
C=CCNc1cc([C@@H]2CCOC2)[nH+]c(N)n1	ZINC000299759459	384402468	/nfs/dbraw/zinc/40/24/68/384402468.db2.gz	SCBCRMBNTVHMOT-MRVPVSSYSA-N	1	1	220.276	1.161	50	30		BDEAMO
CSC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1	ZINC000013465942	385340294	/nfs/dbraw/zinc/34/02/94/385340294.db2.gz	MJMIMNUXLBXEDI-UHFFFAOYSA-N	1	1	242.735	1.964	50	30		BDEAMO
CC#CC[C@H](CO)[NH2+]Cc1cscn1	ZINC000585117106	386674925	/nfs/dbraw/zinc/67/49/25/386674925.db2.gz	QWEFAFPOJHAEJM-SECBINFHSA-N	1	1	210.302	1.007	50	30		BDEAMO
CC[N@@H+](CCNc1ncccc1C#N)C1CC1	ZINC000069463334	388416575	/nfs/dbraw/zinc/41/65/75/388416575.db2.gz	MZQRXGLUVROPME-UHFFFAOYSA-N	1	1	230.315	1.849	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(Cc2nccn2C)[C@@H](C)C1	ZINC000069510704	388418360	/nfs/dbraw/zinc/41/83/60/388418360.db2.gz	GZYZDAQFZZPWKN-ZDUSSCGKSA-N	1	1	248.374	1.502	50	30		BDEAMO
C=C(C)C[N@H+](CC)CC(=O)NCc1ccccn1	ZINC000095396827	388765027	/nfs/dbraw/zinc/76/50/27/388765027.db2.gz	XFFBTCVCOPCVKE-UHFFFAOYSA-N	1	1	247.342	1.596	50	30		BDEAMO
C#CCN1CC[N@@H+](CC#C)[C@@H](CCC)C1	ZINC000095413951	388767251	/nfs/dbraw/zinc/76/72/51/388767251.db2.gz	NSUKIMSOOWRNST-ZDUSSCGKSA-N	1	1	204.317	1.039	50	30		BDEAMO
C#CCN1CC[N@@H+](CC#C)C[C@@H]1CCC	ZINC000095413951	388767253	/nfs/dbraw/zinc/76/72/53/388767253.db2.gz	NSUKIMSOOWRNST-ZDUSSCGKSA-N	1	1	204.317	1.039	50	30		BDEAMO
C#CCN1CC[N@H+](CC#C)C[C@@H]1CCC	ZINC000095413951	388767257	/nfs/dbraw/zinc/76/72/57/388767257.db2.gz	NSUKIMSOOWRNST-ZDUSSCGKSA-N	1	1	204.317	1.039	50	30		BDEAMO
N#CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1	ZINC000079840478	135397378	/nfs/dbraw/zinc/39/73/78/135397378.db2.gz	DZITXDGRQVNMLO-MRVPVSSYSA-N	1	1	222.210	1.145	50	30		BDEAMO
C=CCN(CC=C)C[C@]1(O)CCC[N@H+](CC)C1	ZINC000041124097	166333934	/nfs/dbraw/zinc/33/39/34/166333934.db2.gz	YXVWCHJONQLNJB-AWEZNQCLSA-N	1	1	238.375	1.507	50	30		BDEAMO
C=CC[N@@H+]1CCn2c(nnc2C(C)C)C1	ZINC000069773544	166358708	/nfs/dbraw/zinc/35/87/08/166358708.db2.gz	XKCBPQGFHRXZKP-UHFFFAOYSA-N	1	1	206.293	1.403	50	30		BDEAMO
C=CC[N@H+]1CCn2c(nnc2C(C)C)C1	ZINC000069773544	166358710	/nfs/dbraw/zinc/35/87/10/166358710.db2.gz	XKCBPQGFHRXZKP-UHFFFAOYSA-N	1	1	206.293	1.403	50	30		BDEAMO
CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NCC#N	ZINC000084721034	168303800	/nfs/dbraw/zinc/30/38/00/168303800.db2.gz	XLHFTNWQDUCXED-NSHDSACASA-N	1	1	237.347	1.527	50	30		BDEAMO
CC[N@@H+]1CCO[C@H](CNc2ccc(C#N)cn2)C1	ZINC000069706128	170005794	/nfs/dbraw/zinc/00/57/94/170005794.db2.gz	CCPWPQZBFOTXIX-GFCCVEGCSA-N	1	1	246.314	1.086	50	30		BDEAMO
CC[N@H+]1CCO[C@H](CNc2ccc(C#N)cn2)C1	ZINC000069706128	170005795	/nfs/dbraw/zinc/00/57/95/170005795.db2.gz	CCPWPQZBFOTXIX-GFCCVEGCSA-N	1	1	246.314	1.086	50	30		BDEAMO
CC[N@H+]1CCc2c(C#N)c(N)sc2C1	ZINC000002196683	170023559	/nfs/dbraw/zinc/02/35/59/170023559.db2.gz	XTYAYGWNMNCCLD-UHFFFAOYSA-N	1	1	207.302	1.580	50	30		BDEAMO
CCOCC[N@H+]1CCN([C@@H](C)CC#N)C[C@@H]1C	ZINC000070006373	170399497	/nfs/dbraw/zinc/39/94/97/170399497.db2.gz	KQHKEJWOVFHYPY-STQMWFEESA-N	1	1	239.363	1.331	50	30		BDEAMO
C=CC[N@@H+](CC(=O)N1CCC1)C1CCCC1	ZINC000084638116	488074062	/nfs/dbraw/zinc/07/40/62/488074062.db2.gz	VYMMAHPIFKLPOW-UHFFFAOYSA-N	1	1	222.332	1.649	50	30		BDEAMO
Cc1cc(/C=N/N2CC[NH+](C)CC2)cc(C)c1O	ZINC000019771813	342956596	/nfs/dbraw/zinc/95/65/96/342956596.db2.gz	UMMLKEDTOOVMOC-XNTDXEJSSA-N	1	1	247.342	1.590	50	30		BDEAMO
Cc1[nH+]ccn1CCCNc1nccnc1C#N	ZINC000078333348	180248052	/nfs/dbraw/zinc/24/80/52/180248052.db2.gz	VDKIFXKLZQWKDC-UHFFFAOYSA-N	1	1	242.286	1.355	50	30		BDEAMO
N#CCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1	ZINC000083412321	188122778	/nfs/dbraw/zinc/12/27/78/188122778.db2.gz	LKMYSTFFRPCULK-ZDUSSCGKSA-N	1	1	238.331	1.560	50	30		BDEAMO
N#CCC[NH2+]C[C@H]1OCCc2ccccc21	ZINC000002479964	188159963	/nfs/dbraw/zinc/15/99/63/188159963.db2.gz	QKGMGTWUQWSKBN-CYBMUJFWSA-N	1	1	216.284	1.804	50	30		BDEAMO
C#CC[N@H+](C)[C@@H](CO)c1ccc(OC)cc1	ZINC000071904363	188221441	/nfs/dbraw/zinc/22/14/41/188221441.db2.gz	IXCNCPZDXXPJEA-ZDUSSCGKSA-N	1	1	219.284	1.294	50	30		BDEAMO
CC#CC[N@@H+]1CC=C(C[C@H](C)NC(=O)CC)CC1	ZINC000067967415	384093929	/nfs/dbraw/zinc/09/39/29/384093929.db2.gz	DFVZUVSOMMIDQE-ZDUSSCGKSA-N	1	1	248.370	1.947	50	30		BDEAMO
C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cccc(C#N)c1	ZINC000097034516	384293600	/nfs/dbraw/zinc/29/36/00/384293600.db2.gz	IIRPFEJBJOXGEY-BXUZGUMPSA-N	1	1	247.342	1.131	50	30		BDEAMO
CCOCC[N@H+]1CCN([C@@H](C)CC#N)C[C@H]1C	ZINC000247136657	384852799	/nfs/dbraw/zinc/85/27/99/384852799.db2.gz	KQHKEJWOVFHYPY-QWHCGFSZSA-N	1	1	239.363	1.331	50	30		BDEAMO
C=C(C)C[N@H+](CC(=O)OC)C1CCCC1	ZINC000167613918	385243952	/nfs/dbraw/zinc/24/39/52/385243952.db2.gz	GRRGLAHTLQHVDA-UHFFFAOYSA-N	1	1	211.305	1.980	50	30		BDEAMO
C#CC[N@H+](C)CCOc1ccc(OC)cc1	ZINC000058087334	386290692	/nfs/dbraw/zinc/29/06/92/386290692.db2.gz	PJPHRSJBMYPDDH-UHFFFAOYSA-N	1	1	219.284	1.639	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000072267418	387122794	/nfs/dbraw/zinc/12/27/94/387122794.db2.gz	WABYGVUMEMDYQB-OLZOCXBDSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000072267418	387122798	/nfs/dbraw/zinc/12/27/98/387122798.db2.gz	WABYGVUMEMDYQB-OLZOCXBDSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000072267418	387122805	/nfs/dbraw/zinc/12/28/05/387122805.db2.gz	WABYGVUMEMDYQB-OLZOCXBDSA-N	1	1	226.364	1.340	50	30		BDEAMO
CCOCC[NH+]1CCN(CCCCC#N)CC1	ZINC000071864735	388447590	/nfs/dbraw/zinc/44/75/90/388447590.db2.gz	DFEJMUGEBCYYCO-UHFFFAOYSA-N	1	1	239.363	1.334	50	30		BDEAMO
CC[C@@H](C)NC(=[NH2+])NCCN1CCCC[C@@H]1C	ZINC000069703277	388425034	/nfs/dbraw/zinc/42/50/34/388425034.db2.gz	JMEQWRBUZDSZMA-NEPJUHHUSA-N	1	1	240.395	1.564	50	30		BDEAMO
COC[C@@H]1C[N@H+](CCCC#N)C[C@@H](C)O1	ZINC000225488660	388718294	/nfs/dbraw/zinc/71/82/94/388718294.db2.gz	GYKFUKQHHFTXJL-MNOVXSKESA-N	1	1	212.293	1.026	50	30		BDEAMO
COC[C@@H]1C[N@@H+](CCCC#N)C[C@@H](C)O1	ZINC000225488660	388718298	/nfs/dbraw/zinc/71/82/98/388718298.db2.gz	GYKFUKQHHFTXJL-MNOVXSKESA-N	1	1	212.293	1.026	50	30		BDEAMO
C=C(Br)C[NH2+][C@@](C)(CC)C(N)=O	ZINC000095432242	388771410	/nfs/dbraw/zinc/77/14/10/388771410.db2.gz	GEVVYTLWBSBGAP-QMMMGPOBSA-N	1	1	235.125	1.139	50	30		BDEAMO
C=CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000097084380	388832763	/nfs/dbraw/zinc/83/27/63/388832763.db2.gz	OYUOCBIJPCJSRR-YFKTTZPYSA-N	1	1	241.331	1.195	50	30		BDEAMO
CC#CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000283308029	135371496	/nfs/dbraw/zinc/37/14/96/135371496.db2.gz	UWKYDOSYHLEBGD-DZGCQCFKSA-N	1	1	242.322	1.571	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1	ZINC000084739892	166171834	/nfs/dbraw/zinc/17/18/34/166171834.db2.gz	WNNLMTQGWJIJIC-LBPRGKRZSA-N	1	1	222.332	1.248	50	30		BDEAMO
C#C[C@@H](CN1CCCCC1)[NH+]1CCCCC1	ZINC000020033145	166212408	/nfs/dbraw/zinc/21/24/08/166212408.db2.gz	GTCGNFDJRRVHIB-AWEZNQCLSA-N	1	1	220.360	1.960	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1	ZINC000230171984	166302873	/nfs/dbraw/zinc/30/28/73/166302873.db2.gz	JZDDUWCUHABRTD-XQQFMLRXSA-N	1	1	227.348	1.406	50	30		BDEAMO
C[C@@H](O)C[N@@H+](C)Cc1cc(C#N)cs1	ZINC000130734058	411437128	/nfs/dbraw/zinc/43/71/28/411437128.db2.gz	XXUPWFSCRWUWEJ-MRVPVSSYSA-N	1	1	210.302	1.432	50	30		BDEAMO
CCOC(=O)C1CC[NH+](C(C)(C)C=O)CC1	ZINC000000168201	170193393	/nfs/dbraw/zinc/19/33/93/170193393.db2.gz	ZJBDXMMSHFKMOY-UHFFFAOYSA-N	1	1	227.304	1.239	50	30		BDEAMO
CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](C)C#N)C1	ZINC000036667819	170258643	/nfs/dbraw/zinc/25/86/43/170258643.db2.gz	LAXJEOLWXZNHGL-WDEREUQCSA-N	1	1	224.304	1.421	50	30		BDEAMO
CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)C#N)C1	ZINC000036667819	170258644	/nfs/dbraw/zinc/25/86/44/170258644.db2.gz	LAXJEOLWXZNHGL-WDEREUQCSA-N	1	1	224.304	1.421	50	30		BDEAMO
COCCN1CC[N@@H+](CCCCC#N)C[C@H]1C	ZINC000069840389	174310616	/nfs/dbraw/zinc/31/06/16/174310616.db2.gz	MNMXGUZEJODFTB-CYBMUJFWSA-N	1	1	239.363	1.333	50	30		BDEAMO
COCC[N@@H+]1CCN(CCCCC#N)C[C@H]1C	ZINC000069840389	174310618	/nfs/dbraw/zinc/31/06/18/174310618.db2.gz	MNMXGUZEJODFTB-CYBMUJFWSA-N	1	1	239.363	1.333	50	30		BDEAMO
COCC[N@H+]1CCN(CCCCC#N)C[C@H]1C	ZINC000069840389	174310620	/nfs/dbraw/zinc/31/06/20/174310620.db2.gz	MNMXGUZEJODFTB-CYBMUJFWSA-N	1	1	239.363	1.333	50	30		BDEAMO
COc1ccc([C@@H](C[NH2+]CCC#N)N(C)C)cc1	ZINC000022037953	175178385	/nfs/dbraw/zinc/17/83/85/175178385.db2.gz	CARWOZBDQGZOLF-CQSZACIVSA-N	1	1	247.342	1.801	50	30		BDEAMO
CCC#CC[NH+]1CCC(c2n[nH]c(C)n2)CC1	ZINC000670451569	487503109	/nfs/dbraw/zinc/50/31/09/487503109.db2.gz	BHPVTNPNOSIEAY-UHFFFAOYSA-N	1	1	232.331	1.706	50	30		BDEAMO
CCC#CC[NH+]1CCC(c2nnc(C)[nH]2)CC1	ZINC000670451569	487503111	/nfs/dbraw/zinc/50/31/11/487503111.db2.gz	BHPVTNPNOSIEAY-UHFFFAOYSA-N	1	1	232.331	1.706	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO	ZINC000252487510	518725290	/nfs/dbraw/zinc/72/52/90/518725290.db2.gz	YPBAZLVAFLAQDD-AVGNSLFASA-N	1	1	227.348	1.406	50	30		BDEAMO
CCC(N)=[NH+]OCC(=O)Nc1ccc(CC)cc1	ZINC000044979171	640479987	/nfs/dbraw/zinc/47/99/87/640479987.db2.gz	QSPNAPSRCWQMJX-UHFFFAOYSA-N	1	1	249.314	1.886	50	30		BDEAMO
CCn1cc(C[N@@H+](C)C[C@H]2CCCO2)cc1C#N	ZINC000826773295	968677529	/nfs/dbraw/zinc/67/75/29/968677529.db2.gz	FIMLGWPYLHXHIU-CQSZACIVSA-N	1	1	247.342	1.990	50	30		BDEAMO
CCn1cc(C[N@@H+](C)C[C@@H]2CCCO2)cc1C#N	ZINC000826773294	968680079	/nfs/dbraw/zinc/68/00/79/968680079.db2.gz	FIMLGWPYLHXHIU-AWEZNQCLSA-N	1	1	247.342	1.990	50	30		BDEAMO
CC[C@H](CC#N)NC(=O)c1ccc(C[NH+](C)C)o1	ZINC000952881654	974060476	/nfs/dbraw/zinc/06/04/76/974060476.db2.gz	MGXIOWNGZHLODJ-SNVBAGLBSA-N	1	1	249.314	1.763	50	30		BDEAMO
Cc1cc(C)nc(NC2=[NH+][C@@H]3CCCC[C@H]3N2)n1	ZINC000006922202	342786224	/nfs/dbraw/zinc/78/62/24/342786224.db2.gz	KIPAFZNQLYQZBG-GHMZBOCLSA-N	1	1	245.330	1.585	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000040466238	538971490	/nfs/dbraw/zinc/97/14/90/538971490.db2.gz	BSQWOAIKHSTTBD-STQMWFEESA-N	1	1	234.343	1.390	50	30		BDEAMO
C=CCCCCC[N@@H+]1CCCN(C(N)=O)CC1	ZINC000193328575	346162595	/nfs/dbraw/zinc/16/25/95/346162595.db2.gz	PXXIWRYTCXXKFL-UHFFFAOYSA-N	1	1	239.363	1.819	50	30		BDEAMO
C#Cc1cccc(NC(=O)N2CC[NH+](C)CC2)c1	ZINC000048310049	353157783	/nfs/dbraw/zinc/15/77/83/353157783.db2.gz	FRLZIKMWWNEOCD-UHFFFAOYSA-N	1	1	243.310	1.447	50	30		BDEAMO
CC(C)(C=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019369650	188107056	/nfs/dbraw/zinc/10/70/56/188107056.db2.gz	GGPOHDRPWMANLD-UHFFFAOYSA-N	1	1	246.354	1.782	50	30		BDEAMO
C=CCC(C)(C)C[N@@H+]1CCC(=O)NC[C@H]1C	ZINC000067559718	188110067	/nfs/dbraw/zinc/11/00/67/188110067.db2.gz	MSVWIIYYNJBABM-LLVKDONJSA-N	1	1	224.348	1.799	50	30		BDEAMO
CC(=O)NCC#CC[N@H+](C)Cc1ccccc1	ZINC000075165099	188114825	/nfs/dbraw/zinc/11/48/25/188114825.db2.gz	GHUGNCIKTFARRJ-UHFFFAOYSA-N	1	1	230.311	1.258	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000040473962	188118244	/nfs/dbraw/zinc/11/82/44/188118244.db2.gz	TXDDMPNPIMTGPM-STQMWFEESA-N	1	1	249.358	1.671	50	30		BDEAMO
C=C(C)C[NH+]1CCN(Cc2c(C)noc2C)CC1	ZINC000069627286	188131719	/nfs/dbraw/zinc/13/17/19/188131719.db2.gz	ZLTATZUSFLBRAC-UHFFFAOYSA-N	1	1	249.358	1.985	50	30		BDEAMO
C#CC[N@@H+](Cc1ccccc1)C[C@H](C)O	ZINC000071921808	188220993	/nfs/dbraw/zinc/22/09/93/188220993.db2.gz	TWOMFPSSDRDFID-LBPRGKRZSA-N	1	1	203.285	1.503	50	30		BDEAMO
N#C[C@@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1	ZINC000048252169	181054274	/nfs/dbraw/zinc/05/42/74/181054274.db2.gz	OZRKCVSFDSKHPT-KBPBESRZSA-N	1	1	230.311	1.956	50	30		BDEAMO
N#Cc1cccc(NC(=O)C[NH+]2CCCC2)c1	ZINC000003415444	181140639	/nfs/dbraw/zinc/14/06/39/181140639.db2.gz	QOAIEZGSIJALMU-UHFFFAOYSA-N	1	1	229.283	1.593	50	30		BDEAMO
N#Cc1cccc(OCC[N@@H+]2CCC[C@H](O)C2)c1	ZINC000042337745	181142754	/nfs/dbraw/zinc/14/27/54/181142754.db2.gz	RSMCHKIPAOAZOK-ZDUSSCGKSA-N	1	1	246.310	1.394	50	30		BDEAMO
C#CC[N@@H+]1[C@@H](CO)CSC[C@@H]1c1ccccc1	ZINC000095444027	538605005	/nfs/dbraw/zinc/60/50/05/538605005.db2.gz	SMAIGHQEQSUDMJ-UONOGXRCSA-N	1	1	247.363	1.771	50	30		BDEAMO
C#CC[N@H+]1[C@@H](CO)CSC[C@@H]1c1ccccc1	ZINC000095444027	538605017	/nfs/dbraw/zinc/60/50/17/538605017.db2.gz	SMAIGHQEQSUDMJ-UONOGXRCSA-N	1	1	247.363	1.771	50	30		BDEAMO
C[C@H]1CCCC[C@H]1C[NH+]1CC(O)(CC#N)C1	ZINC000170089708	361391070	/nfs/dbraw/zinc/39/10/70/361391070.db2.gz	CGEHHOVCTJXFFN-RYUDHWBXSA-N	1	1	222.332	1.773	50	30		BDEAMO
OCC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055208400	183031712	/nfs/dbraw/zinc/03/17/12/183031712.db2.gz	CRQXVIJRCUAAGY-CQSZACIVSA-N	1	1	230.311	1.604	50	30		BDEAMO
OCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055208400	183031714	/nfs/dbraw/zinc/03/17/14/183031714.db2.gz	CRQXVIJRCUAAGY-CQSZACIVSA-N	1	1	230.311	1.604	50	30		BDEAMO
CCC[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000095954917	169194783	/nfs/dbraw/zinc/19/47/83/169194783.db2.gz	LSQMWEMCZSKHSA-UHFFFAOYSA-N	1	1	244.342	1.875	50	30		BDEAMO
CC(=O)N1CC[N@H+](CCCC#N)C(C)(C)C1	ZINC000095986104	383873819	/nfs/dbraw/zinc/87/38/19/383873819.db2.gz	HZGWUXZXBFQGKE-UHFFFAOYSA-N	1	1	223.320	1.233	50	30		BDEAMO
CC(=O)N1CC[N@@H+](CCCC#N)C(C)(C)C1	ZINC000095986104	383873826	/nfs/dbraw/zinc/87/38/26/383873826.db2.gz	HZGWUXZXBFQGKE-UHFFFAOYSA-N	1	1	223.320	1.233	50	30		BDEAMO
C=CC[C@@]1(CO)CCC[N@H+](CCCOC)C1	ZINC000091645496	386303512	/nfs/dbraw/zinc/30/35/12/386303512.db2.gz	MOAFODMDARJARL-CYBMUJFWSA-N	1	1	227.348	1.674	50	30		BDEAMO
C#C[C@]1(O)C[C@H](c2ccccc2)[N@@H+](C)C[C@@]1(C)O	ZINC000001408432	386319042	/nfs/dbraw/zinc/31/90/42/386319042.db2.gz	CCFDMNFFOBENMZ-KFWWJZLASA-N	1	1	245.322	1.179	50	30		BDEAMO
C=C(C)C[NH+]1CCN(C[C@H]2CCCO2)CC1	ZINC000057568790	388363364	/nfs/dbraw/zinc/36/33/64/388363364.db2.gz	HHHMMOOTGFSLMB-CYBMUJFWSA-N	1	1	224.348	1.359	50	30		BDEAMO
CC#CCCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000095945456	388791320	/nfs/dbraw/zinc/79/13/20/388791320.db2.gz	DSJGEYDAMBLJPW-GFCCVEGCSA-N	1	1	222.332	1.377	50	30		BDEAMO
C[C@@H]1[C@@H]2CCC[N@H+]2CCN1c1ncccc1C#N	ZINC000032581024	132268285	/nfs/dbraw/zinc/26/82/85/132268285.db2.gz	JOHWDQNQNNBMSP-YPMHNXCESA-N	1	1	242.326	1.626	50	30		BDEAMO
CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1	ZINC000036886591	132342951	/nfs/dbraw/zinc/34/29/51/132342951.db2.gz	WDXIMBRLAPJDET-UHFFFAOYSA-N	1	1	233.290	1.839	50	30		BDEAMO
CC[C@H](C)NC(=[NH2+])NC[C@H](C)N(CC)CC	ZINC000058185112	171245869	/nfs/dbraw/zinc/24/58/69/171245869.db2.gz	BFEQEGODLFGMMD-QWRGUYRKSA-N	1	1	228.384	1.420	50	30		BDEAMO
C#CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F	ZINC000229639611	487595771	/nfs/dbraw/zinc/59/57/71/487595771.db2.gz	IHJCHYBXJLDGGH-JGVFFNPUSA-N	1	1	207.195	1.007	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F	ZINC000229639611	487595775	/nfs/dbraw/zinc/59/57/75/487595775.db2.gz	IHJCHYBXJLDGGH-JGVFFNPUSA-N	1	1	207.195	1.007	50	30		BDEAMO
C#CC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000084638447	166159941	/nfs/dbraw/zinc/15/99/41/166159941.db2.gz	HRTHEUYJHOPYHW-SNVBAGLBSA-N	1	1	226.320	1.465	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O	ZINC000110698829	166302904	/nfs/dbraw/zinc/30/29/04/166302904.db2.gz	ZQPBUUQXJBQKMX-NWDGAFQWSA-N	1	1	227.348	1.549	50	30		BDEAMO
C=CCN1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000039992540	166356391	/nfs/dbraw/zinc/35/63/91/166356391.db2.gz	AJHHYSJAZABBLD-UHFFFAOYSA-N	1	1	246.354	1.999	50	30		BDEAMO
CCOC(=O)ONC(=[NH2+])c1ccccc1	ZINC000096307088	170244491	/nfs/dbraw/zinc/24/44/91/170244491.db2.gz	DQWWAUALEZIYHR-UHFFFAOYSA-N	1	1	208.217	1.480	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2ccc(Cl)cc2)CC1	ZINC000000435102	173065740	/nfs/dbraw/zinc/06/57/40/173065740.db2.gz	YTOZUYUQAYEEQX-GXDHUFHOSA-N	1	1	237.734	1.921	50	30		BDEAMO
C[N@H+]1CC[C@H](Oc2cnccc2C#N)C1	ZINC000034134426	173156263	/nfs/dbraw/zinc/15/62/63/173156263.db2.gz	HFIPMKDJGNOZBI-JTQLQIEISA-N	1	1	203.245	1.036	50	30		BDEAMO
COCC[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000042240481	174280246	/nfs/dbraw/zinc/28/02/46/174280246.db2.gz	BLJJIBLNFNMDFO-UHFFFAOYSA-N	1	1	204.273	1.636	50	30		BDEAMO
C=CCN(C)CC[N@H+](CC)CCC(C)(C)O	ZINC000252502249	518742266	/nfs/dbraw/zinc/74/22/66/518742266.db2.gz	UONVDGIBUKNOJF-UHFFFAOYSA-N	1	1	228.380	1.587	50	30		BDEAMO
Cc1[nH+]ccn1CCNc1nc(C)cc(C#N)n1	ZINC000310639669	632811380	/nfs/dbraw/zinc/81/13/80/632811380.db2.gz	SJQXLYMWJLPWKO-UHFFFAOYSA-N	1	1	242.286	1.274	50	30		BDEAMO
C=C(C)C[NH+]1CCN(C(=O)N(CC)CC)CC1	ZINC000048042145	342775251	/nfs/dbraw/zinc/77/52/51/342775251.db2.gz	DNTOUZGSFFQKFF-UHFFFAOYSA-N	1	1	239.363	1.642	50	30		BDEAMO
C#CCN1CCC[N@@H+](Cc2cccs2)CC1	ZINC000045915728	538993833	/nfs/dbraw/zinc/99/38/33/538993833.db2.gz	FTEKOWTYCXTVAC-UHFFFAOYSA-N	1	1	234.368	1.889	50	30		BDEAMO
C#CCN1CC[NH+](Cc2cccs2)CC1	ZINC000060942608	539015160	/nfs/dbraw/zinc/01/51/60/539015160.db2.gz	OTXSTHGMWZNSBR-UHFFFAOYSA-N	1	1	220.341	1.499	50	30		BDEAMO
N#CCC[N@H+](CCO)CC1CCCCC1	ZINC000081639990	345905570	/nfs/dbraw/zinc/90/55/70/345905570.db2.gz	HOUSJLXPLBCPIY-UHFFFAOYSA-N	1	1	210.321	1.775	50	30		BDEAMO
C[C@@](C#N)(NC(=O)C[NH+]1CCCCC1)C1CC1	ZINC000007016061	350019799	/nfs/dbraw/zinc/01/97/99/350019799.db2.gz	AMVLLHWGCKBBSY-ZDUSSCGKSA-N	1	1	235.331	1.281	50	30		BDEAMO
CC[N@@H+](CC(=O)NCCC#N)Cc1ccccc1	ZINC000044875210	352471948	/nfs/dbraw/zinc/47/19/48/352471948.db2.gz	XPIAPXSHEHEZPC-UHFFFAOYSA-N	1	1	245.326	1.538	50	30		BDEAMO
C=CCn1cc([C@@H]2[NH2+]CCc3nc[nH]c32)cn1	ZINC000067954606	188116609	/nfs/dbraw/zinc/11/66/09/188116609.db2.gz	HEDYPXJPVKMGOI-NSHDSACASA-N	1	1	229.287	1.027	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000040473964	188118238	/nfs/dbraw/zinc/11/82/38/188118238.db2.gz	TXDDMPNPIMTGPM-OLZOCXBDSA-N	1	1	249.358	1.671	50	30		BDEAMO
N#Cc1cccc(C[N@@H+]2CCC[C@H]2CO)c1	ZINC000042432818	188119666	/nfs/dbraw/zinc/11/96/66/188119666.db2.gz	JFRVQBBKWYHETM-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
C#CC[N@H+](CC=C)CCC(=O)N1CCC[C@@H](C)C1	ZINC000065373242	188224422	/nfs/dbraw/zinc/22/44/22/188224422.db2.gz	ANEGAFRCZWVBDA-CQSZACIVSA-N	1	1	248.370	1.756	50	30		BDEAMO
C=CCNC(=O)[C@@H]1CCCC[N@@H+]1CCC	ZINC000069445281	166387371	/nfs/dbraw/zinc/38/73/71/166387371.db2.gz	RJOXLESVEXWBGP-NSHDSACASA-N	1	1	210.321	1.553	50	30		BDEAMO
N#Cc1ccc(C(=O)C[NH+]2CCCC2)cc1	ZINC000006566669	181097195	/nfs/dbraw/zinc/09/71/95/181097195.db2.gz	VRJRRBXAVNDDBX-UHFFFAOYSA-N	1	1	214.268	1.837	50	30		BDEAMO
N=C(NC(N)=[NH2+])Nc1cc(Cl)cc(Cl)c1	ZINC000004370978	181188096	/nfs/dbraw/zinc/18/80/96/181188096.db2.gz	BUXACHZAYWAZJL-UHFFFAOYSA-N	1	1	246.101	1.423	50	30	in-vivo	BDEAMO
CC[N@H+]1CCCC[C@H]1CNc1cncc(C#N)n1	ZINC000420604030	192248539	/nfs/dbraw/zinc/24/85/39/192248539.db2.gz	RHPKXFJAUWUDCF-LBPRGKRZSA-N	1	1	245.330	1.635	50	30		BDEAMO
CC(C)C[N@H+](CCC#N)CCN1CCOCC1	ZINC000049800826	356688770	/nfs/dbraw/zinc/68/87/70/356688770.db2.gz	CNRVRCZLFZXIFL-UHFFFAOYSA-N	1	1	239.363	1.190	50	30		BDEAMO
CC(C)C[N@@H+](CCC#N)CCN1CCOCC1	ZINC000049800826	356688775	/nfs/dbraw/zinc/68/87/75/356688775.db2.gz	CNRVRCZLFZXIFL-UHFFFAOYSA-N	1	1	239.363	1.190	50	30		BDEAMO
C=C(C)C[N@@H+]1CCC[C@H](C(=O)OCC)C1	ZINC000040007946	373086704	/nfs/dbraw/zinc/08/67/04/373086704.db2.gz	JVLGKBGPJOUUBF-NSHDSACASA-N	1	1	211.305	1.838	50	30		BDEAMO
CSC(=N)N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000005585829	384120553	/nfs/dbraw/zinc/12/05/53/384120553.db2.gz	KCFNNVMFWWVPNM-MDWZMJQESA-N	1	1	236.344	1.764	50	30		BDEAMO
C=CCNc1cc([C@H]2CCOC2)[nH+]c(N)n1	ZINC000299759461	384402671	/nfs/dbraw/zinc/40/26/71/384402671.db2.gz	SCBCRMBNTVHMOT-QMMMGPOBSA-N	1	1	220.276	1.161	50	30		BDEAMO
CCN(CCC#N)C(=O)Cn1c[nH+]c(C)c1C	ZINC000071904316	384655187	/nfs/dbraw/zinc/65/51/87/384655187.db2.gz	OHYJLWKLLNSLHK-UHFFFAOYSA-N	1	1	234.303	1.262	50	30		BDEAMO
C=CCC(C)(C)C[N@@H+]1CCC(=O)NC[C@@H]1C	ZINC000067559722	384946738	/nfs/dbraw/zinc/94/67/38/384946738.db2.gz	MSVWIIYYNJBABM-NSHDSACASA-N	1	1	224.348	1.799	50	30		BDEAMO
C#CC[N@@H+](C)Cc1cnn(-c2ccccc2)c1	ZINC000052917251	386353020	/nfs/dbraw/zinc/35/30/20/386353020.db2.gz	SDSGJMLHIXXOCU-UHFFFAOYSA-N	1	1	225.295	1.937	50	30		BDEAMO
C#CC[N@H+](C)Cc1cnn(-c2ccccc2)c1	ZINC000052917251	386353025	/nfs/dbraw/zinc/35/30/25/386353025.db2.gz	SDSGJMLHIXXOCU-UHFFFAOYSA-N	1	1	225.295	1.937	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000040473961	387383889	/nfs/dbraw/zinc/38/38/89/387383889.db2.gz	TXDDMPNPIMTGPM-QWHCGFSZSA-N	1	1	249.358	1.671	50	30		BDEAMO
COCc1cc(C)nc(-n2cc[nH+]c2C)c1C#N	ZINC000059383389	388395238	/nfs/dbraw/zinc/39/52/38/388395238.db2.gz	OBLGYKJVPCPBBG-UHFFFAOYSA-N	1	1	242.282	1.902	50	30		BDEAMO
C=C(C)C[NH+]1CCN(c2nccs2)CC1	ZINC000054635111	388513759	/nfs/dbraw/zinc/51/37/59/388513759.db2.gz	PCRHYEZVTZDDMQ-UHFFFAOYSA-N	1	1	223.345	1.841	50	30		BDEAMO
C#CCCCOC(=O)C[N@@H+](CC)C1CC1	ZINC000096013409	388804385	/nfs/dbraw/zinc/80/43/85/388804385.db2.gz	GYKPWRXQLGCWOH-UHFFFAOYSA-N	1	1	209.289	1.427	50	30		BDEAMO
C#CCCCOC(=O)C[N@H+](CC)C1CC1	ZINC000096013409	388804388	/nfs/dbraw/zinc/80/43/88/388804388.db2.gz	GYKPWRXQLGCWOH-UHFFFAOYSA-N	1	1	209.289	1.427	50	30		BDEAMO
C[C@H]1[C@H]2CCC[N@H+]2CCN1c1ncccc1C#N	ZINC000032581027	132268220	/nfs/dbraw/zinc/26/82/20/132268220.db2.gz	JOHWDQNQNNBMSP-WCQYABFASA-N	1	1	242.326	1.626	50	30		BDEAMO
N#Cc1ccnc(N2CCC[N@H+]3CCC[C@H]3C2)c1	ZINC000250253906	135051774	/nfs/dbraw/zinc/05/17/74/135051774.db2.gz	RMWLURFRWPSNDG-ZDUSSCGKSA-N	1	1	242.326	1.628	50	30		BDEAMO
C#CC(C)(C)[N@@H+](C)Cc1ccc(C(N)=O)cc1	ZINC000279214696	166111662	/nfs/dbraw/zinc/11/16/62/166111662.db2.gz	HIMICCXFDWLBKY-UHFFFAOYSA-N	1	1	230.311	1.629	50	30		BDEAMO
C=CCC[C@H](O)C[N@H+]1CCCSCC1	ZINC000089985360	166304464	/nfs/dbraw/zinc/30/44/64/166304464.db2.gz	QIRGEAVDTBVRIL-NSHDSACASA-N	1	1	215.362	1.752	50	30		BDEAMO
C=CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000047549843	166344301	/nfs/dbraw/zinc/34/43/01/166344301.db2.gz	ZNQBMHPMBIAPPG-BETUJISGSA-N	1	1	225.332	1.832	50	30		BDEAMO
C=CCNC(=O)C[N@H+](C)C1CCCCCC1	ZINC000053847160	166365340	/nfs/dbraw/zinc/36/53/40/166365340.db2.gz	ODMZIAKSTRXCQO-UHFFFAOYSA-N	1	1	224.348	1.943	50	30		BDEAMO
C[NH+]1CCN(N=Cc2ccc(C#N)cc2)CC1	ZINC000606347354	411187389	/nfs/dbraw/zinc/18/73/89/411187389.db2.gz	CQXFPCOFPGWZQN-UHFFFAOYSA-N	1	1	228.299	1.140	50	30		BDEAMO
CCc1ccc(C=NN2CC[NH+](C)CC2)cc1	ZINC000606347368	411187720	/nfs/dbraw/zinc/18/77/20/411187720.db2.gz	OGOINQMUNWLLCI-UHFFFAOYSA-N	1	1	231.343	1.830	50	30		BDEAMO
CC[C@@H]1CN(CCCC#N)CC[N@H+]1C[C@@H](C)O	ZINC000072279714	171078154	/nfs/dbraw/zinc/07/81/54/171078154.db2.gz	PPMRQOXIQLAMKQ-CHWSQXEVSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[N@H+]1CC[C@@H]2CCN(c3cc(C#N)ccn3)[C@H]2C1	ZINC000284892017	173132035	/nfs/dbraw/zinc/13/20/35/173132035.db2.gz	HCNXPJZQDPHACW-OLZOCXBDSA-N	1	1	242.326	1.484	50	30		BDEAMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC#N	ZINC000076803063	177264574	/nfs/dbraw/zinc/26/45/74/177264574.db2.gz	CURZHJBQZBFQGZ-ZDUSSCGKSA-N	1	1	229.327	1.716	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21	ZINC000328586879	518727861	/nfs/dbraw/zinc/72/78/61/518727861.db2.gz	XTHKWFARLYXNLP-MELADBBJSA-N	1	1	238.375	1.340	50	30		BDEAMO
CC[N@@H+]1[C@H](C)CN(c2ncncc2C#N)C[C@@H]1C	ZINC000874435047	590110236	/nfs/dbraw/zinc/11/02/36/590110236.db2.gz	KDKLWVSCWCXQLW-PHIMTYICSA-N	1	1	245.330	1.267	50	30		BDEAMO
C#C[C@@H](CO)[NH2+]Cc1ccc(Cl)s1	ZINC000585117042	972146971	/nfs/dbraw/zinc/14/69/71/972146971.db2.gz	PTBWAQZUFRRMKE-ZETCQYMHSA-N	1	1	215.705	1.485	50	30		BDEAMO
C[N@@H+](CCc1cnccn1)[C@H]1CC[C@@H](C#N)C1	ZINC000293710245	136289633	/nfs/dbraw/zinc/28/96/33/136289633.db2.gz	DSAFNPKOMSFBDT-YPMHNXCESA-N	1	1	230.315	1.643	50	30		BDEAMO
C[N@H+](CC(=O)NCCC#N)CC1CCCCC1	ZINC000044715064	343512716	/nfs/dbraw/zinc/51/27/16/343512716.db2.gz	SLVRTEDNRKTRSC-UHFFFAOYSA-N	1	1	237.347	1.528	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O	ZINC000230175553	166303562	/nfs/dbraw/zinc/30/35/62/166303562.db2.gz	ZQPBUUQXJBQKMX-RYUDHWBXSA-N	1	1	227.348	1.549	50	30		BDEAMO
Cc1[nH+]cn(CC(=O)N[C@@](C)(C#N)C2CC2)c1C	ZINC000071904321	180285078	/nfs/dbraw/zinc/28/50/78/180285078.db2.gz	JNAQJEIHKXEAEN-ZDUSSCGKSA-N	1	1	246.314	1.308	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1cccc(C#N)c1	ZINC000089939286	362969243	/nfs/dbraw/zinc/96/92/43/362969243.db2.gz	UIHHHLXPRKELDG-GFCCVEGCSA-N	1	1	229.327	1.694	50	30		BDEAMO
C=CC[N@H+](Cc1ccc(C)s1)C[C@@H](O)CO	ZINC000055211399	166347090	/nfs/dbraw/zinc/34/70/90/166347090.db2.gz	CFCCPOKVIKECJD-LLVKDONJSA-N	1	1	241.356	1.398	50	30		BDEAMO
C[N@@H+](CCCO)Cc1cccc(C#N)c1	ZINC000045915397	353280674	/nfs/dbraw/zinc/28/06/74/353280674.db2.gz	XYMFSFLAAQTYNM-UHFFFAOYSA-N	1	1	204.273	1.372	50	30		BDEAMO
C=C(Cl)CN1CC[NH+]([C@H](CC)CO)CC1	ZINC000075963381	188289451	/nfs/dbraw/zinc/28/94/51/188289451.db2.gz	DLQPGZFJXWUZSR-LLVKDONJSA-N	1	1	232.755	1.127	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000069739236	188308129	/nfs/dbraw/zinc/30/81/29/188308129.db2.gz	WDCIHCAWPJNTPK-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOC)[C@H](CC)C1	ZINC000069739236	188308130	/nfs/dbraw/zinc/30/81/30/188308130.db2.gz	WDCIHCAWPJNTPK-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(CCOC)[C@H](CC)C1	ZINC000069739236	188308132	/nfs/dbraw/zinc/30/81/32/188308132.db2.gz	WDCIHCAWPJNTPK-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
N#Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c(F)c1	ZINC000061707942	181104759	/nfs/dbraw/zinc/10/47/59/181104759.db2.gz	GRUODNSYVHOHIS-LLVKDONJSA-N	1	1	220.247	1.264	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(F)c1	ZINC000061707942	181104760	/nfs/dbraw/zinc/10/47/60/181104760.db2.gz	GRUODNSYVHOHIS-LLVKDONJSA-N	1	1	220.247	1.264	50	30		BDEAMO
N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](O)C2)c1	ZINC000029597176	181112598	/nfs/dbraw/zinc/11/25/98/181112598.db2.gz	OCTSDSPHMDNBKT-LBPRGKRZSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](O)C2)c1	ZINC000029597176	181112599	/nfs/dbraw/zinc/11/25/99/181112599.db2.gz	OCTSDSPHMDNBKT-LBPRGKRZSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccccc1OCCC[NH+]1CCOCC1	ZINC000020639821	181149017	/nfs/dbraw/zinc/14/90/17/181149017.db2.gz	XQMSEXQYJTXGGL-UHFFFAOYSA-N	1	1	246.310	1.659	50	30		BDEAMO
N#Cc1cccnc1NCCC[NH+]1CCOCC1	ZINC000019797702	181152341	/nfs/dbraw/zinc/15/23/41/181152341.db2.gz	ULCMHJAQGSYVKN-UHFFFAOYSA-N	1	1	246.314	1.087	50	30		BDEAMO
CN(C[C@H]1CCCC[N@H+]1C)c1cc(C#N)ccn1	ZINC000584895256	369042429	/nfs/dbraw/zinc/04/24/29/369042429.db2.gz	DRRBGWYKXVBDBM-CYBMUJFWSA-N	1	1	244.342	1.874	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(NC(=O)C(C)C)CC1	ZINC000061022856	384203672	/nfs/dbraw/zinc/20/36/72/384203672.db2.gz	OKZJINLUZDABRT-UHFFFAOYSA-N	1	1	244.766	1.976	50	30		BDEAMO
COC[C@H]1C[N@H+](CCCC#N)C[C@@H](C)O1	ZINC000189423181	385186390	/nfs/dbraw/zinc/18/63/90/385186390.db2.gz	GYKFUKQHHFTXJL-GHMZBOCLSA-N	1	1	212.293	1.026	50	30		BDEAMO
COC[C@H]1C[N@@H+](CCCC#N)C[C@@H](C)O1	ZINC000189423181	385186397	/nfs/dbraw/zinc/18/63/97/385186397.db2.gz	GYKFUKQHHFTXJL-GHMZBOCLSA-N	1	1	212.293	1.026	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1	ZINC000065591955	388112249	/nfs/dbraw/zinc/11/22/49/388112249.db2.gz	UJNJETMNBYORAO-GFCCVEGCSA-N	1	1	222.332	1.104	50	30		BDEAMO
C=C(C)C[NH+]1CCN(C[C@@H]2CCCO2)CC1	ZINC000057568786	388363829	/nfs/dbraw/zinc/36/38/29/388363829.db2.gz	HHHMMOOTGFSLMB-ZDUSSCGKSA-N	1	1	224.348	1.359	50	30		BDEAMO
CC(=NN1CC[NH+](C)CC1)c1ccc(O)cc1	ZINC000606347505	388389537	/nfs/dbraw/zinc/38/95/37/388389537.db2.gz	IQHGZHHMLHQUQT-UHFFFAOYSA-N	1	1	233.315	1.364	50	30		BDEAMO
C#CC[N@@H+](CCO)Cc1ccccc1OC	ZINC000069516777	388418825	/nfs/dbraw/zinc/41/88/25/388418825.db2.gz	WUNXSYVGUCBZAC-UHFFFAOYSA-N	1	1	219.284	1.123	50	30		BDEAMO
C#CC[N@H+](CCO)Cc1ccccc1OC	ZINC000069516777	388418827	/nfs/dbraw/zinc/41/88/27/388418827.db2.gz	WUNXSYVGUCBZAC-UHFFFAOYSA-N	1	1	219.284	1.123	50	30		BDEAMO
Cc1noc([C@@H]([NH2+]CCCC#N)C(C)C)n1	ZINC000095987489	388800512	/nfs/dbraw/zinc/80/05/12/388800512.db2.gz	AZAVCFWHQISHEY-JTQLQIEISA-N	1	1	222.292	1.969	50	30		BDEAMO
C=CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000176484273	166380970	/nfs/dbraw/zinc/38/09/70/166380970.db2.gz	ZTMWNHDPAUPDKF-ZJUUUORDSA-N	1	1	223.320	1.097	50	30		BDEAMO
CC(C)CNC(=O)CO[NH+]=C(N)C1CCCC1	ZINC000048610091	411206921	/nfs/dbraw/zinc/20/69/21/411206921.db2.gz	OJIJZBYSQPLADE-UHFFFAOYSA-N	1	1	241.335	1.238	50	30		BDEAMO
CN(C)/N=C/c1ccc(/C=[NH+]/N(C)C)cc1	ZINC000005719525	172351867	/nfs/dbraw/zinc/35/18/67/172351867.db2.gz	WTNJKAHRXJCGPH-UTLPMFLDSA-N	1	1	218.304	1.478	50	30		BDEAMO
C[C@H]1C[N@@H+](C)[C@@H](C)c2cc(/C=N/CCO)[nH]c21	ZINC000003160337	177238236	/nfs/dbraw/zinc/23/82/36/177238236.db2.gz	VANJHXWVRNXXCT-CZYGQQSCSA-N	1	1	235.331	1.536	50	30		BDEAMO
CCOCC[N@H+]1CCN([C@H](C)CC#N)C[C@@H]1C	ZINC000106777025	519922837	/nfs/dbraw/zinc/92/28/37/519922837.db2.gz	KQHKEJWOVFHYPY-OLZOCXBDSA-N	1	1	239.363	1.331	50	30		BDEAMO
O=[N+]([O-])c1ccccc1/C=C/C=[NH+]n1cnnc1	ZINC000252581836	644868923	/nfs/dbraw/zinc/86/89/23/644868923.db2.gz	NYSKTVRREGDPSR-VIJCACFXSA-N	1	1	243.226	1.734	50	30		BDEAMO
C#C[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2C)C1	ZINC000585090895	972135745	/nfs/dbraw/zinc/13/57/45/972135745.db2.gz	XKKADXFCGZZGMJ-CYBMUJFWSA-N	1	1	231.343	1.882	50	30		BDEAMO
CCC(=O)O[C@]1(C#N)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000002497872	984360372	/nfs/dbraw/zinc/36/03/72/984360372.db2.gz	AOXVKLXGIXLVEW-FOGDFJRCSA-N	1	1	224.304	1.562	50	30		BDEAMO
C=C(C)C[NH+]1CCN(CCCn2ccnc2)CC1	ZINC001506403172	988774679	/nfs/dbraw/zinc/77/46/79/988774679.db2.gz	WONUEMYYDXQAIJ-UHFFFAOYSA-N	1	1	248.374	1.467	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@@H]1Cn1cccn1	ZINC000071878600	398331535	/nfs/dbraw/zinc/33/15/35/398331535.db2.gz	HEQCYWVRGHMGHL-GFCCVEGCSA-N	1	1	205.305	1.924	50	30		BDEAMO
CC(=NN1CC[NH+](C)CC1)c1ccncc1	ZINC000606347492	351600950	/nfs/dbraw/zinc/60/09/50/351600950.db2.gz	JPLAOARUOYWTGK-UHFFFAOYSA-N	1	1	218.304	1.053	50	30		BDEAMO
C=CCc1ccccc1OCC[NH2+]CCN	ZINC000020118246	188231971	/nfs/dbraw/zinc/23/19/71/188231971.db2.gz	CCNZRRTXNAHGNV-UHFFFAOYSA-N	1	1	220.316	1.342	50	30		BDEAMO
C#C[C@]1(O)C[C@H](c2ccccc2)[N@@H+](C)C[C@]1(C)O	ZINC000034118364	188233304	/nfs/dbraw/zinc/23/33/04/188233304.db2.gz	CCFDMNFFOBENMZ-ILXRZTDVSA-N	1	1	245.322	1.179	50	30		BDEAMO
N#CCC[N@H+]1C[C@@H](O)C[C@@H]1C1CCCCC1	ZINC000071907946	181038204	/nfs/dbraw/zinc/03/82/04/181038204.db2.gz	FEOBXTZNJHPOSB-QWHCGFSZSA-N	1	1	222.332	1.916	50	30		BDEAMO
C[C@@H]1CCCC[C@@H]1C[NH+]1CC(O)(CC#N)C1	ZINC000170089701	361390916	/nfs/dbraw/zinc/39/09/16/361390916.db2.gz	CGEHHOVCTJXFFN-VXGBXAGGSA-N	1	1	222.332	1.773	50	30		BDEAMO
CC(C)(C=NO)[N+](=O)Cc1ccccc1	ZINC000252611695	364051849	/nfs/dbraw/zinc/05/18/49/364051849.db2.gz	ILQZGEKYGSPTGA-JRHXQAKDSA-N	1	1	206.245	1.854	50	30		BDEAMO
C#CCN1CC[NH+](CCOc2ccccc2)CC1	ZINC000060463103	384063615	/nfs/dbraw/zinc/06/36/15/384063615.db2.gz	MSVJDYJTNVMKAC-UHFFFAOYSA-N	1	1	244.338	1.316	50	30		BDEAMO
N#CC1CC[NH+](Cc2ccccn2)CC1	ZINC000057872678	134390621	/nfs/dbraw/zinc/39/06/21/134390621.db2.gz	XMWQRQHDIMUJTG-UHFFFAOYSA-N	1	1	201.273	1.817	50	30		BDEAMO
CC#CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000071924076	384282893	/nfs/dbraw/zinc/28/28/93/384282893.db2.gz	RLOUTVLTUWRJQE-CYBMUJFWSA-N	1	1	234.343	1.248	50	30		BDEAMO
CC#CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1	ZINC000159483852	385624596	/nfs/dbraw/zinc/62/45/96/385624596.db2.gz	JIUBBLQBVVQMRZ-AWEZNQCLSA-N	1	1	242.322	1.573	50	30		BDEAMO
CC#CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1	ZINC000159483852	385624606	/nfs/dbraw/zinc/62/46/06/385624606.db2.gz	JIUBBLQBVVQMRZ-AWEZNQCLSA-N	1	1	242.322	1.573	50	30		BDEAMO
C=C(C)CC[N@@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000160205678	386591478	/nfs/dbraw/zinc/59/14/78/386591478.db2.gz	TXLXVFWZAXIMOE-NSHDSACASA-N	1	1	227.304	1.217	50	30		BDEAMO
C=C(C)CC[N@H+]1CCO[C@@H](CC(=O)OC)C1	ZINC000160205678	386591482	/nfs/dbraw/zinc/59/14/82/386591482.db2.gz	TXLXVFWZAXIMOE-NSHDSACASA-N	1	1	227.304	1.217	50	30		BDEAMO
C#CC[N@H+](CC=C)CCC(=O)N1CCC[C@H](C)C1	ZINC000065373243	386640642	/nfs/dbraw/zinc/64/06/42/386640642.db2.gz	ANEGAFRCZWVBDA-AWEZNQCLSA-N	1	1	248.370	1.756	50	30		BDEAMO
N#CCCN1CC[NH+](Cc2cccc(O)c2)CC1	ZINC000078969186	387322840	/nfs/dbraw/zinc/32/28/40/387322840.db2.gz	CAYIWXSQGCIPDL-UHFFFAOYSA-N	1	1	245.326	1.423	50	30		BDEAMO
C[NH+]1CCN(N=Cc2ccccc2Cl)CC1	ZINC000254868106	388382572	/nfs/dbraw/zinc/38/25/72/388382572.db2.gz	RFLFSXYEWCRZGJ-UHFFFAOYSA-N	1	1	237.734	1.921	50	30		BDEAMO
Cc1ccccc1C=NN1CC[NH+](C)CC1	ZINC000606347378	388389023	/nfs/dbraw/zinc/38/90/23/388389023.db2.gz	VTZDYIZEHGFFCJ-UHFFFAOYSA-N	1	1	217.316	1.576	50	30		BDEAMO
C=C(Cl)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000069509395	388418532	/nfs/dbraw/zinc/41/85/32/388418532.db2.gz	UHSDQSVUZBZLNG-DTWKUNHWSA-N	1	1	216.712	1.325	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOC)[C@@H](C)C1	ZINC000069706648	388424884	/nfs/dbraw/zinc/42/48/84/388424884.db2.gz	WCRYHXNOSHGKBO-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOC)[C@@H](C)C1	ZINC000069706648	388424886	/nfs/dbraw/zinc/42/48/86/388424886.db2.gz	WCRYHXNOSHGKBO-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=C(C)CN1CC[N@H+](CCOC)[C@@H](C)C1	ZINC000069706648	388424890	/nfs/dbraw/zinc/42/48/90/388424890.db2.gz	WCRYHXNOSHGKBO-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)CC2)C1	ZINC000328706515	388740158	/nfs/dbraw/zinc/74/01/58/388740158.db2.gz	AJTIFKBHVTZXHN-NXEZZACHSA-N	1	1	207.277	1.341	50	30		BDEAMO
C=CCC[N@@H+]1CCSC[C@H]1CC(=O)OC	ZINC000089400771	166264378	/nfs/dbraw/zinc/26/43/78/166264378.db2.gz	IMMJSZSMZSWELQ-SNVBAGLBSA-N	1	1	229.345	1.543	50	30		BDEAMO
C=CC[NH+]1CCN(CCOc2ccccc2)CC1	ZINC000058403684	166355311	/nfs/dbraw/zinc/35/53/11/166355311.db2.gz	GFWOZZACKRTRGA-UHFFFAOYSA-N	1	1	246.354	1.869	50	30		BDEAMO
C=CCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000176484288	166381119	/nfs/dbraw/zinc/38/11/19/166381119.db2.gz	ZTMWNHDPAUPDKF-UWVGGRQHSA-N	1	1	223.320	1.097	50	30		BDEAMO
C#CC[N@H+](C)CCOc1ccccc1OC	ZINC000052452062	398192792	/nfs/dbraw/zinc/19/27/92/398192792.db2.gz	AMSCWRMGRPOTJY-UHFFFAOYSA-N	1	1	219.284	1.639	50	30		BDEAMO
CCC(CC)[N@H+](CC(=O)NCC#N)CC(C)C	ZINC000072313267	168369503	/nfs/dbraw/zinc/36/95/03/168369503.db2.gz	UNJWOSRKKBXDOW-UHFFFAOYSA-N	1	1	239.363	1.773	50	30		BDEAMO
C[N@H+]1CC/C(=N\O)[C@@H](C2(O)CCCCC2)C1	ZINC000004760194	342751810	/nfs/dbraw/zinc/75/18/10/342751810.db2.gz	AGRSMSSOUFKBIQ-GYXQTMOZSA-N	1	1	226.320	1.464	50	30		BDEAMO
C=CCNC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1	ZINC000075891329	166368146	/nfs/dbraw/zinc/36/81/46/166368146.db2.gz	WLVYODKKUNMCPH-AOOOYVTPSA-N	1	1	228.361	1.114	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1	ZINC000089939277	188271100	/nfs/dbraw/zinc/27/11/00/188271100.db2.gz	LMJQFIYEYVVCNZ-LBPRGKRZSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC000089939277	188271101	/nfs/dbraw/zinc/27/11/01/188271101.db2.gz	LMJQFIYEYVVCNZ-LBPRGKRZSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)cc1	ZINC000089939277	188271102	/nfs/dbraw/zinc/27/11/02/188271102.db2.gz	LMJQFIYEYVVCNZ-LBPRGKRZSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1F	ZINC000089939281	188271552	/nfs/dbraw/zinc/27/15/52/188271552.db2.gz	AUCOLHQLPLBBIR-NSHDSACASA-N	1	1	247.317	1.833	50	30		BDEAMO
C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@@H](C)O	ZINC000069738373	188307730	/nfs/dbraw/zinc/30/77/30/188307730.db2.gz	DHORMPRNLNSCRW-ZJUUUORDSA-N	1	1	203.713	1.974	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](Cc1ccccc1)C(C)C	ZINC000040473316	188306604	/nfs/dbraw/zinc/30/66/04/188306604.db2.gz	WPSPMGNZPPSFMN-UHFFFAOYSA-N	1	1	244.338	1.646	50	30		BDEAMO
C=C(C)C[NH+]1CCN(C(=O)OCC)CC1	ZINC000040007918	188396689	/nfs/dbraw/zinc/39/66/89/188396689.db2.gz	UYPIGHGJAFTRHT-UHFFFAOYSA-N	1	1	212.293	1.337	50	30		BDEAMO
N#Cc1ccc(F)c(C[NH+]2CCC(O)CC2)c1	ZINC000019504865	181112774	/nfs/dbraw/zinc/11/27/74/181112774.db2.gz	ANYRIYPVCUZLCS-UHFFFAOYSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](O)C2)c1	ZINC000042337746	181142390	/nfs/dbraw/zinc/14/23/90/181142390.db2.gz	RSMCHKIPAOAZOK-CYBMUJFWSA-N	1	1	246.310	1.394	50	30		BDEAMO
N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2CO)c1	ZINC000042432828	181142686	/nfs/dbraw/zinc/14/26/86/181142686.db2.gz	NAOKOUINYPTUIW-ZDUSSCGKSA-N	1	1	246.310	1.394	50	30		BDEAMO
C=CC[N@@H+]1CCN(c2nccs2)[C@H](C)C1	ZINC000095949274	538611425	/nfs/dbraw/zinc/61/14/25/538611425.db2.gz	ISNMZKTZHHEWRG-SNVBAGLBSA-N	1	1	223.345	1.840	50	30		BDEAMO
C=CC[N@H+]1CCN(c2nccs2)[C@H](C)C1	ZINC000095949274	538611430	/nfs/dbraw/zinc/61/14/30/538611430.db2.gz	ISNMZKTZHHEWRG-SNVBAGLBSA-N	1	1	223.345	1.840	50	30		BDEAMO
C=C(C)C[N@@H+]1CCC[C@H](NC(=O)OCC)C1	ZINC000047795192	386568841	/nfs/dbraw/zinc/56/88/41/386568841.db2.gz	SAVZIFXFPJSBQJ-NSHDSACASA-N	1	1	226.320	1.773	50	30		BDEAMO
CC#CC[C@@H](CO)[NH2+]Cc1cscn1	ZINC000585117107	386674906	/nfs/dbraw/zinc/67/49/06/386674906.db2.gz	QWEFAFPOJHAEJM-VIFPVBQESA-N	1	1	210.302	1.007	50	30		BDEAMO
N#CCCN(CCC#N)c1cc[nH+]cc1	ZINC000100471516	387513709	/nfs/dbraw/zinc/51/37/09/387513709.db2.gz	NOBXIFMVFNTKIW-UHFFFAOYSA-N	1	1	200.245	1.715	50	30		BDEAMO
C[C@H](CC#N)N1CCC(CC[NH+](C)C)CC1	ZINC000068613225	387880033	/nfs/dbraw/zinc/88/00/33/387880033.db2.gz	JHOJATFEKHYMDE-GFCCVEGCSA-N	1	1	223.364	1.952	50	30		BDEAMO
C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(N)=O)cc1	ZINC000006979058	387883842	/nfs/dbraw/zinc/88/38/42/387883842.db2.gz	HBQNLNQGYRUQFI-LLVKDONJSA-N	1	1	248.326	1.557	50	30		BDEAMO
C=CCOc1ccc(C[N@H+](C)[C@H](C)C(N)=O)cc1	ZINC000006979058	387883852	/nfs/dbraw/zinc/88/38/52/387883852.db2.gz	HBQNLNQGYRUQFI-LLVKDONJSA-N	1	1	248.326	1.557	50	30		BDEAMO
CC#CC(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000170614526	388258008	/nfs/dbraw/zinc/25/80/08/388258008.db2.gz	LFWLJMVXZPKBRV-JTQLQIEISA-N	1	1	220.272	1.022	50	30		BDEAMO
Cc1ccsc1C=NN1CC[NH+](C)CC1	ZINC000254735726	388355053	/nfs/dbraw/zinc/35/50/53/388355053.db2.gz	UFDJNLNAPHINKD-UHFFFAOYSA-N	1	1	223.345	1.638	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000076008457	388369260	/nfs/dbraw/zinc/36/92/60/388369260.db2.gz	LQNRSBPPKXKPSC-LLVKDONJSA-N	1	1	238.331	1.609	50	30		BDEAMO
C#CCN1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000095980900	388800593	/nfs/dbraw/zinc/80/05/93/388800593.db2.gz	OCARKCZUDNJJQF-ZDUSSCGKSA-N	1	1	224.348	1.052	50	30		BDEAMO
C=C(Cl)CN1CC[NH+]([C@H](C)COC)CC1	ZINC000095432016	388770704	/nfs/dbraw/zinc/77/07/04/388770704.db2.gz	QTMUKVDYIVAJKQ-LLVKDONJSA-N	1	1	232.755	1.391	50	30		BDEAMO
C=CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000097084379	388833016	/nfs/dbraw/zinc/83/30/16/388833016.db2.gz	OYUOCBIJPCJSRR-KKOKHZNYSA-N	1	1	241.331	1.195	50	30		BDEAMO
N#CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1	ZINC000079840476	398028717	/nfs/dbraw/zinc/02/87/17/398028717.db2.gz	DZITXDGRQVNMLO-QMMMGPOBSA-N	1	1	222.210	1.145	50	30		BDEAMO
C#CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000035052909	166113188	/nfs/dbraw/zinc/11/31/88/166113188.db2.gz	PPWHBFZZVWTMPM-STQMWFEESA-N	1	1	239.359	1.650	50	30		BDEAMO
C#C[C@H](CN1CCCCC1)[NH+]1CCCCC1	ZINC000020033150	166218737	/nfs/dbraw/zinc/21/87/37/166218737.db2.gz	GTCGNFDJRRVHIB-CQSZACIVSA-N	1	1	220.360	1.960	50	30		BDEAMO
C=CCC[C@@H](O)C[N@H+]1CCCSCC1	ZINC000089985361	166297133	/nfs/dbraw/zinc/29/71/33/166297133.db2.gz	QIRGEAVDTBVRIL-LLVKDONJSA-N	1	1	215.362	1.752	50	30		BDEAMO
C=CC[NH+]1CCN(Cc2ccccn2)CC1	ZINC000054187514	166355571	/nfs/dbraw/zinc/35/55/71/166355571.db2.gz	HAMMHBKBZXNWML-UHFFFAOYSA-N	1	1	217.316	1.385	50	30		BDEAMO
C=CCNC(=O)C[N@@H+]1CCS[C@H](CC)C1	ZINC000096441720	166367767	/nfs/dbraw/zinc/36/77/67/166367767.db2.gz	DQQVFTRAMNGHJM-SNVBAGLBSA-N	1	1	228.361	1.116	50	30		BDEAMO
C=CCNC(=O)C[N@H+]1CCS[C@H](CC)C1	ZINC000096441720	166367768	/nfs/dbraw/zinc/36/77/68/166367768.db2.gz	DQQVFTRAMNGHJM-SNVBAGLBSA-N	1	1	228.361	1.116	50	30		BDEAMO
Cc1ccc(C=NN2CC[NH+](C)CC2)o1	ZINC000606347362	411187998	/nfs/dbraw/zinc/18/79/98/411187998.db2.gz	JFYIAKJYYMDENT-UHFFFAOYSA-N	1	1	207.277	1.169	50	30		BDEAMO
C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000012977303	173069121	/nfs/dbraw/zinc/06/91/21/173069121.db2.gz	ZISSNWSKMDGFJV-UHFFFAOYSA-N	1	1	244.298	1.338	50	30		BDEAMO
CCC#CC[N@H+]1CCC[C@H](CN2CCCC2=O)C1	ZINC000670440172	487489230	/nfs/dbraw/zinc/48/92/30/487489230.db2.gz	WMUCNBIEHWVETJ-AWEZNQCLSA-N	1	1	248.370	1.734	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1	ZINC000106908708	518603903	/nfs/dbraw/zinc/60/39/03/518603903.db2.gz	WABYGVUMEMDYQB-QWHCGFSZSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000106908708	518603906	/nfs/dbraw/zinc/60/39/06/518603906.db2.gz	WABYGVUMEMDYQB-QWHCGFSZSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000106908708	518603912	/nfs/dbraw/zinc/60/39/12/518603912.db2.gz	WABYGVUMEMDYQB-QWHCGFSZSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1	ZINC000106908710	518604502	/nfs/dbraw/zinc/60/45/02/518604502.db2.gz	WABYGVUMEMDYQB-STQMWFEESA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000106908710	518604509	/nfs/dbraw/zinc/60/45/09/518604509.db2.gz	WABYGVUMEMDYQB-STQMWFEESA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000106908710	518604515	/nfs/dbraw/zinc/60/45/15/518604515.db2.gz	WABYGVUMEMDYQB-STQMWFEESA-N	1	1	226.364	1.340	50	30		BDEAMO
C=CCNC(=O)CC[N@H+](C)[C@H](C)c1ccncn1	ZINC000244795936	518884694	/nfs/dbraw/zinc/88/46/94/518884694.db2.gz	RQCACQUCAJNGPU-LLVKDONJSA-N	1	1	248.330	1.162	50	30		BDEAMO
C[N@H+]1CCC[C@H]1COc1ncccc1C#N	ZINC000259507049	976388829	/nfs/dbraw/zinc/38/88/29/976388829.db2.gz	REGQKGINZNOBMU-NSHDSACASA-N	1	1	217.272	1.426	50	30		BDEAMO
CC[C@H](C(=O)N1CCC(C#N)CC1)[N@@H+](C)CC	ZINC000822544877	968527050	/nfs/dbraw/zinc/52/70/50/968527050.db2.gz	UIQJNHQGFHUNQW-GFCCVEGCSA-N	1	1	237.347	1.479	50	30		BDEAMO
CCn1cc(C[N@@H+](C)C[C@H]2CCOC2)cc1C#N	ZINC000826773352	968678627	/nfs/dbraw/zinc/67/86/27/968678627.db2.gz	XUPLMKAVONBJQV-GFCCVEGCSA-N	1	1	247.342	1.848	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CC[C@H](O)[C@H]2CCC[C@@H]21	ZINC000043204635	973130467	/nfs/dbraw/zinc/13/04/67/973130467.db2.gz	ABOWUBBXNPKAPQ-SRVKXCTJSA-N	1	1	207.317	1.634	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000040466236	538971199	/nfs/dbraw/zinc/97/11/99/538971199.db2.gz	BSQWOAIKHSTTBD-OLZOCXBDSA-N	1	1	234.343	1.390	50	30		BDEAMO
CC(C)C(=O)ONC(=[NH2+])c1ccccc1	ZINC000004992254	344890436	/nfs/dbraw/zinc/89/04/36/344890436.db2.gz	ROFKSEUYQJDTMP-UHFFFAOYSA-N	1	1	206.245	1.506	50	30		BDEAMO
C#CC[N@H+]1[C@H](c2ccccc2)CSC[C@@H]1CO	ZINC000685939719	537929435	/nfs/dbraw/zinc/92/94/35/537929435.db2.gz	SMAIGHQEQSUDMJ-KBPBESRZSA-N	1	1	247.363	1.771	50	30		BDEAMO
C#CC[N@@H+]1[C@H](c2ccccc2)CSC[C@@H]1CO	ZINC000685939719	537929438	/nfs/dbraw/zinc/92/94/38/537929438.db2.gz	SMAIGHQEQSUDMJ-KBPBESRZSA-N	1	1	247.363	1.771	50	30		BDEAMO
C=CCc1c(C)[nH+]c(C)nc1NCCO	ZINC000002066623	346493220	/nfs/dbraw/zinc/49/32/20/346493220.db2.gz	XLUBGKFCQBYKCD-UHFFFAOYSA-N	1	1	207.277	1.226	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1	ZINC000110696346	323153663	/nfs/dbraw/zinc/15/36/63/323153663.db2.gz	JZDDUWCUHABRTD-AVGNSLFASA-N	1	1	227.348	1.406	50	30		BDEAMO
Cc1ccccc1N[NH+]=Cc1cnc(N)nc1	ZINC000013957137	179296130	/nfs/dbraw/zinc/29/61/30/179296130.db2.gz	BRPGWVYIJKKXIL-LZYBPNLTSA-N	1	1	227.271	1.813	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)Cc1cccc(F)c1	ZINC000007360428	350093499	/nfs/dbraw/zinc/09/34/99/350093499.db2.gz	FNWJZPNCNNLDNW-UHFFFAOYSA-N	1	1	234.274	1.007	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)Cc1cccc(F)c1	ZINC000007360428	350093502	/nfs/dbraw/zinc/09/35/02/350093502.db2.gz	FNWJZPNCNNLDNW-UHFFFAOYSA-N	1	1	234.274	1.007	50	30		BDEAMO
C=CCN(CC=C)C(=O)Cn1cc[nH+]c1CC	ZINC000095441063	166329357	/nfs/dbraw/zinc/32/93/57/166329357.db2.gz	MHPBUGOQQMSEDW-UHFFFAOYSA-N	1	1	233.315	1.646	50	30		BDEAMO
C=CCOC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000019594746	187545174	/nfs/dbraw/zinc/54/51/74/187545174.db2.gz	CDFATPKAADNQOR-NSHDSACASA-N	1	1	205.257	1.286	50	30		BDEAMO
N#Cc1ccc(C[NH+]2CCC(O)CC2)c(F)c1	ZINC000019436804	187589477	/nfs/dbraw/zinc/58/94/77/187589477.db2.gz	JAOKEOMCCDVYQK-UHFFFAOYSA-N	1	1	234.274	1.654	50	30		BDEAMO
C=CC[N@H+]1CCCC[C@H]1Cn1cccn1	ZINC000071875250	166355537	/nfs/dbraw/zinc/35/55/37/166355537.db2.gz	BHLHAPHEEHKUBB-LBPRGKRZSA-N	1	1	205.305	1.924	50	30		BDEAMO
C=CCNC(=O)C[N@H+](CC(C)C)C1CC1	ZINC000045751487	166364517	/nfs/dbraw/zinc/36/45/17/166364517.db2.gz	PFACCLOQRIWJAL-UHFFFAOYSA-N	1	1	210.321	1.409	50	30		BDEAMO
C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1	ZINC000069516832	166366911	/nfs/dbraw/zinc/36/69/11/166366911.db2.gz	WHEYSOZDSTURKF-GFCCVEGCSA-N	1	1	232.327	1.982	50	30		BDEAMO
CC#CC(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000170614527	188252026	/nfs/dbraw/zinc/25/20/26/188252026.db2.gz	LFWLJMVXZPKBRV-SNVBAGLBSA-N	1	1	220.272	1.022	50	30		BDEAMO
C=CCOC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000036468154	188278827	/nfs/dbraw/zinc/27/88/27/188278827.db2.gz	SCHTYFMQEMJOJF-LBPRGKRZSA-N	1	1	244.294	1.767	50	30		BDEAMO
C/[NH+]=C/c1cc(OC)c(OC)c(OC)c1	ZINC000002167365	188335019	/nfs/dbraw/zinc/33/50/19/188335019.db2.gz	BUHXDRJIZKOEFB-KPKJPENVSA-N	1	1	209.245	1.761	50	30		BDEAMO
N#Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c(F)c1	ZINC000029597219	181104471	/nfs/dbraw/zinc/10/44/71/181104471.db2.gz	DQYIHXBVHKZBDC-LBPRGKRZSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(F)c1	ZINC000029597219	181104474	/nfs/dbraw/zinc/10/44/74/181104474.db2.gz	DQYIHXBVHKZBDC-LBPRGKRZSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@H](O)C2)cc1	ZINC000020941410	181127834	/nfs/dbraw/zinc/12/78/34/181127834.db2.gz	GFKGYINCKKSGNT-ZDUSSCGKSA-N	1	1	246.310	1.394	50	30		BDEAMO
N#Cc1ncccc1C[NH+]1CCCCC1	ZINC000061664243	181170749	/nfs/dbraw/zinc/17/07/49/181170749.db2.gz	IGDQELYTLICZSD-UHFFFAOYSA-N	1	1	201.273	1.939	50	30		BDEAMO
C=C(C)C[N@H+](CC(N)=O)Cc1ccccc1	ZINC000071900607	191840762	/nfs/dbraw/zinc/84/07/62/191840762.db2.gz	XWAPYUSROFBSTH-UHFFFAOYSA-N	1	1	218.300	1.550	50	30		BDEAMO
C=C(C)C[N@@H+](CC(N)=O)Cc1ccccc1	ZINC000071900607	191840764	/nfs/dbraw/zinc/84/07/64/191840764.db2.gz	XWAPYUSROFBSTH-UHFFFAOYSA-N	1	1	218.300	1.550	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)Cc1ccccc1C	ZINC000007680969	364053850	/nfs/dbraw/zinc/05/38/50/364053850.db2.gz	GWSDMHJXESWQSN-UHFFFAOYSA-N	1	1	230.311	1.176	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)Cc1ccccc1C	ZINC000007680969	364053856	/nfs/dbraw/zinc/05/38/56/364053856.db2.gz	GWSDMHJXESWQSN-UHFFFAOYSA-N	1	1	230.311	1.176	50	30		BDEAMO
N#Cc1cc2n(n1)CCC[N@H+]([C@@H]1CCSC1)C2	ZINC000584893971	369040977	/nfs/dbraw/zinc/04/09/77/369040977.db2.gz	SVXWHYKWTSYKBH-LLVKDONJSA-N	1	1	248.355	1.466	50	30		BDEAMO
C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)O	ZINC000071921809	387124607	/nfs/dbraw/zinc/12/46/07/387124607.db2.gz	TWOMFPSSDRDFID-GFCCVEGCSA-N	1	1	203.285	1.503	50	30		BDEAMO
Cn1cc(C[N@@H+](C)C[C@@H]2CCOC2)cc1C#N	ZINC000191428378	387396807	/nfs/dbraw/zinc/39/68/07/387396807.db2.gz	ZAFASHWZXFPGKD-NSHDSACASA-N	1	1	233.315	1.365	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(Cc2nccn2C)[C@H](C)C1	ZINC000069510701	388418687	/nfs/dbraw/zinc/41/86/87/388418687.db2.gz	GZYZDAQFZZPWKN-CYBMUJFWSA-N	1	1	248.374	1.502	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOCC)[C@@H](C)C1	ZINC000069706652	388425000	/nfs/dbraw/zinc/42/50/00/388425000.db2.gz	QTNLHYZHNUOLEC-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOCC)[C@@H](C)C1	ZINC000069706652	388425002	/nfs/dbraw/zinc/42/50/02/388425002.db2.gz	QTNLHYZHNUOLEC-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)CN1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000069706652	388425004	/nfs/dbraw/zinc/42/50/04/388425004.db2.gz	QTNLHYZHNUOLEC-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=CCC[N@@H+]1CCSC[C@@H]1CC(=O)OC	ZINC000089400773	166264590	/nfs/dbraw/zinc/26/45/90/166264590.db2.gz	IMMJSZSMZSWELQ-JTQLQIEISA-N	1	1	229.345	1.543	50	30		BDEAMO
C=CCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000080654153	166377342	/nfs/dbraw/zinc/37/73/42/166377342.db2.gz	BBTPVWJNYNRFBD-LBPRGKRZSA-N	1	1	239.363	1.546	50	30		BDEAMO
CN(C)c1ncc(C[N@H+](C)CCCC#N)cn1	ZINC000097055984	172686779	/nfs/dbraw/zinc/68/67/79/172686779.db2.gz	UPQMFYRLKVJWRM-UHFFFAOYSA-N	1	1	233.319	1.278	50	30		BDEAMO
CN(C)c1ncc(C[N@@H+](C)CCCC#N)cn1	ZINC000097055984	172686781	/nfs/dbraw/zinc/68/67/81/172686781.db2.gz	UPQMFYRLKVJWRM-UHFFFAOYSA-N	1	1	233.319	1.278	50	30		BDEAMO
CNC(=S)N/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000013657971	173315491	/nfs/dbraw/zinc/31/54/91/173315491.db2.gz	QUJRUAPPSQNJPM-MDWZMJQESA-N	1	1	236.344	1.180	50	30		BDEAMO
C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)cc1	ZINC000089938488	176266529	/nfs/dbraw/zinc/26/65/29/176266529.db2.gz	DQVWFTVBEHYLHZ-LLVKDONJSA-N	1	1	243.310	1.334	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)cc1	ZINC000089938488	176266531	/nfs/dbraw/zinc/26/65/31/176266531.db2.gz	DQVWFTVBEHYLHZ-LLVKDONJSA-N	1	1	243.310	1.334	50	30		BDEAMO
C=CCNC(=O)CC[N@H+](C)[C@@H](C)c1ccncn1	ZINC000244795937	518884601	/nfs/dbraw/zinc/88/46/01/518884601.db2.gz	RQCACQUCAJNGPU-NSHDSACASA-N	1	1	248.330	1.162	50	30		BDEAMO
C[N@H+](CCC#N)[C@@H]1CC(=O)CCC1(C)C	ZINC000725361306	711664254	/nfs/dbraw/zinc/66/42/54/711664254.db2.gz	MUHUQXNKVZZJJG-LLVKDONJSA-N	1	1	208.305	1.980	50	30		BDEAMO
C[N@@H+](CCC#N)[C@@H]1CC(=O)CCC1(C)C	ZINC000725361306	711664256	/nfs/dbraw/zinc/66/42/56/711664256.db2.gz	MUHUQXNKVZZJJG-LLVKDONJSA-N	1	1	208.305	1.980	50	30		BDEAMO
C=C(Cl)C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000069489536	398330026	/nfs/dbraw/zinc/33/00/26/398330026.db2.gz	ZEIPBDHATRIXCB-SNVBAGLBSA-N	1	1	231.723	1.824	50	30		BDEAMO
C=CCN1c2ccccc2[N@H+](CC(C)=O)C1=N	ZINC000367627962	347166532	/nfs/dbraw/zinc/16/65/32/347166532.db2.gz	WQWJNMSBIQNWTL-UHFFFAOYSA-N	1	1	229.283	1.697	50	30		BDEAMO
C=CCN1c2ccccc2[N@@H+](CC(C)=O)C1=N	ZINC000367627962	347166536	/nfs/dbraw/zinc/16/65/36/347166536.db2.gz	WQWJNMSBIQNWTL-UHFFFAOYSA-N	1	1	229.283	1.697	50	30		BDEAMO
C=CCNC(=O)C[NH2+]Cc1ccccc1F	ZINC000058145769	166370902	/nfs/dbraw/zinc/37/09/02/166370902.db2.gz	QNOZWXMTEFJCIQ-UHFFFAOYSA-N	1	1	222.263	1.218	50	30		BDEAMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cncnc1	ZINC000330879410	353190494	/nfs/dbraw/zinc/19/04/94/353190494.db2.gz	XXFYNFNKLUIMOZ-LBPRGKRZSA-N	1	1	248.330	1.656	50	30		BDEAMO
N#CCC[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000083412319	188296365	/nfs/dbraw/zinc/29/63/65/188296365.db2.gz	LKMYSTFFRPCULK-CYBMUJFWSA-N	1	1	238.331	1.560	50	30		BDEAMO
N#CCC[C@@H](C#N)C[N@H+]1CC[C@@]2(CCOC2)C1	ZINC000089819362	188317929	/nfs/dbraw/zinc/31/79/29/188317929.db2.gz	NSBJLKMBKBJQGB-QWHCGFSZSA-N	1	1	233.315	1.542	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000042294396	188396924	/nfs/dbraw/zinc/39/69/24/188396924.db2.gz	MESJBLYARPLEHT-UHFFFAOYSA-N	1	1	242.750	1.730	50	30		BDEAMO
C#CCN1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000048374153	188399991	/nfs/dbraw/zinc/39/99/91/188399991.db2.gz	BRMHREDFHZFSHV-UHFFFAOYSA-N	1	1	244.338	1.446	50	30		BDEAMO
N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1CO	ZINC000042432834	181148912	/nfs/dbraw/zinc/14/89/12/181148912.db2.gz	GXPJKGJOQDQNLB-ZDUSSCGKSA-N	1	1	246.310	1.394	50	30		BDEAMO
N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](O)C1	ZINC000042371546	181149459	/nfs/dbraw/zinc/14/94/59/181149459.db2.gz	BSJWHGPDMBRURF-CYBMUJFWSA-N	1	1	246.310	1.394	50	30		BDEAMO
N=C(NC(N)=[NH2+])Nc1ccccc1C(F)(F)F	ZINC000018179618	181187839	/nfs/dbraw/zinc/18/78/39/181187839.db2.gz	WWGJSAKTVIHBMA-UHFFFAOYSA-N	1	1	245.208	1.135	50	30		BDEAMO
CN(C[C@@H]1CCCC[N@H+]1C)c1cc(C#N)ccn1	ZINC000584895258	369041920	/nfs/dbraw/zinc/04/19/20/369041920.db2.gz	DRRBGWYKXVBDBM-ZDUSSCGKSA-N	1	1	244.342	1.874	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000040473959	373293292	/nfs/dbraw/zinc/29/32/92/373293292.db2.gz	KFZRSLLTURWYME-QWHCGFSZSA-N	1	1	249.358	1.528	50	30		BDEAMO
C#CC[N@H+](Cc1ccco1)C[C@H](O)COCC	ZINC000071904871	384146023	/nfs/dbraw/zinc/14/60/23/384146023.db2.gz	UEDLMWFWGKUILI-LBPRGKRZSA-N	1	1	237.299	1.112	50	30		BDEAMO
C#CC[N@@H+](Cc1ccco1)C[C@H](O)COCC	ZINC000071904871	384146024	/nfs/dbraw/zinc/14/60/24/384146024.db2.gz	UEDLMWFWGKUILI-LBPRGKRZSA-N	1	1	237.299	1.112	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)[C@@H](C)c2cc(/C=N/CCO)[nH]c21	ZINC000018194858	384985395	/nfs/dbraw/zinc/98/53/95/384985395.db2.gz	VANJHXWVRNXXCT-ANQXUQOXSA-N	1	1	235.331	1.536	50	30		BDEAMO
C[N@@H+](CCC#N)CCCNC(=O)OC(C)(C)C	ZINC000096412985	385126660	/nfs/dbraw/zinc/12/66/60/385126660.db2.gz	UKNGHVWHWDGEOA-UHFFFAOYSA-N	1	1	241.335	1.747	50	30		BDEAMO
C[N@H+](CCC#N)CCCNC(=O)OC(C)(C)C	ZINC000096412985	385126666	/nfs/dbraw/zinc/12/66/66/385126666.db2.gz	UKNGHVWHWDGEOA-UHFFFAOYSA-N	1	1	241.335	1.747	50	30		BDEAMO
C=CC[C@@]1(CO)CCC[N@@H+](CC(C)(C)N)C1	ZINC000091595741	386302037	/nfs/dbraw/zinc/30/20/37/386302037.db2.gz	NQSZQZQTGPTGQH-CYBMUJFWSA-N	1	1	226.364	1.374	50	30		BDEAMO
C=CC[C@@]1(CO)CCC[N@H+](CC(C)(C)N)C1	ZINC000091595741	386302038	/nfs/dbraw/zinc/30/20/38/386302038.db2.gz	NQSZQZQTGPTGQH-CYBMUJFWSA-N	1	1	226.364	1.374	50	30		BDEAMO
C#CC[N@@H+](C)C[C@@H](O)c1ccccc1F	ZINC000192232974	387354933	/nfs/dbraw/zinc/35/49/33/387354933.db2.gz	ARDYHHZBORWSPO-GFCCVEGCSA-N	1	1	207.248	1.424	50	30		BDEAMO
C#CC[N@H+](C)C[C@@H](O)c1ccccc1F	ZINC000192232974	387354938	/nfs/dbraw/zinc/35/49/38/387354938.db2.gz	ARDYHHZBORWSPO-GFCCVEGCSA-N	1	1	207.248	1.424	50	30		BDEAMO
C#CC[N@@H+](C)C[C@H](O)c1ccccc1F	ZINC000192232967	387355258	/nfs/dbraw/zinc/35/52/58/387355258.db2.gz	ARDYHHZBORWSPO-LBPRGKRZSA-N	1	1	207.248	1.424	50	30		BDEAMO
C#CC[N@H+](C)C[C@H](O)c1ccccc1F	ZINC000192232967	387355262	/nfs/dbraw/zinc/35/52/62/387355262.db2.gz	ARDYHHZBORWSPO-LBPRGKRZSA-N	1	1	207.248	1.424	50	30		BDEAMO
C[C@H](O)CC[N@@H+](C)Cc1ccccc1C#N	ZINC000075780370	387357361	/nfs/dbraw/zinc/35/73/61/387357361.db2.gz	KRBSSCVUIPJPLZ-NSHDSACASA-N	1	1	218.300	1.761	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(C(=O)NCC)CC1	ZINC000069414047	388415713	/nfs/dbraw/zinc/41/57/13/388415713.db2.gz	LEHWSWYSNRYOHY-UHFFFAOYSA-N	1	1	230.739	1.587	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000069739237	388426082	/nfs/dbraw/zinc/42/60/82/388426082.db2.gz	WDCIHCAWPJNTPK-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1	ZINC000069739237	388426083	/nfs/dbraw/zinc/42/60/83/388426083.db2.gz	WDCIHCAWPJNTPK-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(CCOC)[C@@H](CC)C1	ZINC000069739237	388426086	/nfs/dbraw/zinc/42/60/86/388426086.db2.gz	WDCIHCAWPJNTPK-ZDUSSCGKSA-N	1	1	226.364	1.605	50	30		BDEAMO
Cn1cc([C@H]2CCC[N@H+]2CCCC#N)cn1	ZINC000069977914	388431105	/nfs/dbraw/zinc/43/11/05/388431105.db2.gz	IGSBQKDKPREYTA-GFCCVEGCSA-N	1	1	218.304	1.861	50	30		BDEAMO
C[NH+]1CCN(N=Cc2ccc(F)cc2)CC1	ZINC000254340081	388671337	/nfs/dbraw/zinc/67/13/37/388671337.db2.gz	GQAHXGTUJDQGRX-UHFFFAOYSA-N	1	1	221.279	1.407	50	30		BDEAMO
C=CC[C@H](C)[C@@H](C)[N@@H+]1CCO[C@H](C(=O)OC)C1	ZINC000097084367	388832754	/nfs/dbraw/zinc/83/27/54/388832754.db2.gz	BMMYESWWAKQMGY-TUAOUCFPSA-N	1	1	241.331	1.461	50	30		BDEAMO
N#Cc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000091015627	132237510	/nfs/dbraw/zinc/23/75/10/132237510.db2.gz	PITHMNZNUXBCNE-CQSZACIVSA-N	1	1	227.311	1.843	50	30		BDEAMO
C=CCSCC(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000067855617	398023389	/nfs/dbraw/zinc/02/33/89/398023389.db2.gz	NHXWTZBSCXAMNN-LLVKDONJSA-N	1	1	242.388	1.364	50	30		BDEAMO
CCC#CC[N@@H+]1CCCN(C(=O)C2CCC2)CC1	ZINC000670471419	487529492	/nfs/dbraw/zinc/52/94/92/487529492.db2.gz	NKNWWCJQCHAMHH-UHFFFAOYSA-N	1	1	248.370	1.734	50	30		BDEAMO
CCC#CC[N@H+]1CCCN(C(=O)C2CCC2)CC1	ZINC000670471419	487529495	/nfs/dbraw/zinc/52/94/95/487529495.db2.gz	NKNWWCJQCHAMHH-UHFFFAOYSA-N	1	1	248.370	1.734	50	30		BDEAMO
C=CCCCN(C)C(=O)c1csc(C[NH3+])n1	ZINC000158405179	166233082	/nfs/dbraw/zinc/23/30/82/166233082.db2.gz	RTMVDSLNVBYBLV-UHFFFAOYSA-N	1	1	239.344	1.640	50	30		BDEAMO
C=CC[N@H+](CCOC)Cc1ccnc(N)c1	ZINC000193579318	166342364	/nfs/dbraw/zinc/34/23/64/166342364.db2.gz	KICCCUOUHRBODW-UHFFFAOYSA-N	1	1	221.304	1.298	50	30		BDEAMO
C=CC[NH+]1CCN(Cc2ccco2)CC1	ZINC000040475936	166357030	/nfs/dbraw/zinc/35/70/30/166357030.db2.gz	RKYUEMZALLJMJW-UHFFFAOYSA-N	1	1	206.289	1.583	50	30		BDEAMO
C=CCNC(=O)C[N@@H+](C)Cc1ccccc1	ZINC000048418608	166365075	/nfs/dbraw/zinc/36/50/75/166365075.db2.gz	UIUIEHFSWCWFRZ-UHFFFAOYSA-N	1	1	218.300	1.421	50	30		BDEAMO
C=CCNC(=O)C[N@H+](C)Cc1ccccc1	ZINC000048418608	166365079	/nfs/dbraw/zinc/36/50/79/166365079.db2.gz	UIUIEHFSWCWFRZ-UHFFFAOYSA-N	1	1	218.300	1.421	50	30		BDEAMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000032797107	166388366	/nfs/dbraw/zinc/38/83/66/166388366.db2.gz	MFONXAGUAAPKSN-LBPRGKRZSA-N	1	1	244.338	1.735	50	30		BDEAMO
C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1	ZINC000032797107	166388367	/nfs/dbraw/zinc/38/83/67/166388367.db2.gz	MFONXAGUAAPKSN-LBPRGKRZSA-N	1	1	244.338	1.735	50	30		BDEAMO
CCOC(=O)/C(C[NH+]1CCCCC1)=N\OC	ZINC000020405032	170182148	/nfs/dbraw/zinc/18/21/48/170182148.db2.gz	PKRAGYOYWDSBIX-BENRWUELSA-N	1	1	228.292	1.038	50	30		BDEAMO
CN(C)C(C)(C)CNC(=[NH2+])N1CCCCCC1	ZINC000097015385	172393979	/nfs/dbraw/zinc/39/39/79/172393979.db2.gz	HMHNPQCXTFIYAJ-UHFFFAOYSA-N	1	1	240.395	1.517	50	30		BDEAMO
C[N@H+]1CCCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000003258708	173013411	/nfs/dbraw/zinc/01/34/11/173013411.db2.gz	JLSCIZQUJHOUKD-UHFFFAOYSA-N	1	1	243.310	1.336	50	30		BDEAMO
CC(=CC(=O)n1cnnc1)[NH2+]Nc1ccccc1	ZINC000004947671	635168419	/nfs/dbraw/zinc/16/84/19/635168419.db2.gz	CKMDCKNHXYJIID-XNTDXEJSSA-N	1	1	243.270	1.796	50	30		BDEAMO
CNC(=O)ONC(=[NH2+])c1ccc(Cl)cc1	ZINC000022342518	642318570	/nfs/dbraw/zinc/31/85/70/642318570.db2.gz	HDZVITWTNPHFFA-UHFFFAOYSA-N	1	1	227.651	1.316	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CC[C@H](O)[C@@H]2CCC[C@@H]21	ZINC000003194994	712691936	/nfs/dbraw/zinc/69/19/36/712691936.db2.gz	ABOWUBBXNPKAPQ-WOPDTQHZSA-N	1	1	207.317	1.634	50	30		BDEAMO
C#CC[N@@H+](C[C@@H]1CCSC1)C1CSC1	ZINC000585138211	972170187	/nfs/dbraw/zinc/17/01/87/972170187.db2.gz	VZJCJPKCYCHXEQ-JTQLQIEISA-N	1	1	227.398	1.790	50	30		BDEAMO
CCn1cc(C[N@@H+](C)C[C@@H]2CCOC2)cc1C#N	ZINC000826773353	968676884	/nfs/dbraw/zinc/67/68/84/968676884.db2.gz	XUPLMKAVONBJQV-LBPRGKRZSA-N	1	1	247.342	1.848	50	30		BDEAMO
CCC#CC[N@H+]1CCC[C@@H](CCCO)C1	ZINC000828748573	968804846	/nfs/dbraw/zinc/80/48/46/968804846.db2.gz	MAYKRTNQGCFLFP-ZDUSSCGKSA-N	1	1	209.333	1.884	50	30		BDEAMO
COC(=O)c1ccsc1/[NH+]=C/N(C)C	ZINC000005477516	342764615	/nfs/dbraw/zinc/76/46/15/342764615.db2.gz	KFUNYBLJEOERSZ-UXBLZVDNSA-N	1	1	212.274	1.756	50	30		BDEAMO
O=[N+]([O-])c1ccccc1/C=C/C=[NH+]/n1cnnc1	ZINC000002702551	342791706	/nfs/dbraw/zinc/79/17/06/342791706.db2.gz	NYSKTVRREGDPSR-VWQNNZLTSA-N	1	1	243.226	1.734	50	30		BDEAMO
N#CCCNC(=O)C[N@@H+]1CCc2ccccc2C1	ZINC000025047788	343083717	/nfs/dbraw/zinc/08/37/17/343083717.db2.gz	WGDIMWRXHVJTSV-UHFFFAOYSA-N	1	1	243.310	1.075	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CCc2ccccc2C1	ZINC000025047788	343083719	/nfs/dbraw/zinc/08/37/19/343083719.db2.gz	WGDIMWRXHVJTSV-UHFFFAOYSA-N	1	1	243.310	1.075	50	30		BDEAMO
C[N@@H+](CC(=O)NCCC#N)C1CCCCC1	ZINC000027271222	343114699	/nfs/dbraw/zinc/11/46/99/343114699.db2.gz	YCJZBDLOWLLCON-UHFFFAOYSA-N	1	1	223.320	1.281	50	30		BDEAMO
CN(C[C@H]1CCC[N@H+]1C)c1cc(C#N)ccn1	ZINC000092631223	347213583	/nfs/dbraw/zinc/21/35/83/347213583.db2.gz	WDUGFUFTFWFKRD-GFCCVEGCSA-N	1	1	230.315	1.484	50	30		BDEAMO
Cc1ccccc1C[N@H+](C)CC(=O)NCCC#N	ZINC000048279006	188297330	/nfs/dbraw/zinc/29/73/30/188297330.db2.gz	VNRZVZCRNVTLAV-UHFFFAOYSA-N	1	1	245.326	1.457	50	30		BDEAMO
Cc1ccccc1C[N@@H+](C)CC(=O)NCCC#N	ZINC000048279006	188297331	/nfs/dbraw/zinc/29/73/31/188297331.db2.gz	VNRZVZCRNVTLAV-UHFFFAOYSA-N	1	1	245.326	1.457	50	30		BDEAMO
N#C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O	ZINC000169804479	181060892	/nfs/dbraw/zinc/06/08/92/181060892.db2.gz	XZYDMOVDIBVPOL-QWHCGFSZSA-N	1	1	216.284	1.393	50	30		BDEAMO
N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](O)C1	ZINC000042371545	181149313	/nfs/dbraw/zinc/14/93/13/181149313.db2.gz	BSJWHGPDMBRURF-ZDUSSCGKSA-N	1	1	246.310	1.394	50	30		BDEAMO
Cc1ncoc1C(=O)NCC1=CC[N@@H+](C)CC1	ZINC000329214761	355904044	/nfs/dbraw/zinc/90/40/44/355904044.db2.gz	LOXXTTBRQZGIAQ-UHFFFAOYSA-N	1	1	235.287	1.550	50	30		BDEAMO
C=CCCC1(C)N2CC3(C)C[NH+]1CC(C)(C2)C3=O	ZINC000019319699	356482180	/nfs/dbraw/zinc/48/21/80/356482180.db2.gz	XCTAHCNNKFCMHN-UHFFFAOYSA-N	1	1	248.370	1.895	50	30	biogenic	BDEAMO
N#C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O	ZINC000139375056	368420886	/nfs/dbraw/zinc/42/08/86/368420886.db2.gz	XZYDMOVDIBVPOL-OLZOCXBDSA-N	1	1	216.284	1.393	50	30		BDEAMO
C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCSC1	ZINC000110696428	369943334	/nfs/dbraw/zinc/94/33/34/369943334.db2.gz	VWJLIBIFGABINN-WDEREUQCSA-N	1	1	215.362	1.751	50	30		BDEAMO
C=CCO[C@@H]1CC[N@@H+](CCC2OCCO2)C1	ZINC000125848833	371421926	/nfs/dbraw/zinc/42/19/26/371421926.db2.gz	FXCRSWJIZDZFLF-LLVKDONJSA-N	1	1	227.304	1.026	50	30		BDEAMO
Cc1ccc([C@H](C#N)N2CC[NH+](C)CC2)o1	ZINC000028404180	384623731	/nfs/dbraw/zinc/62/37/31/384623731.db2.gz	FDXGXCUTCSLKRY-NSHDSACASA-N	1	1	219.288	1.400	50	30		BDEAMO
C#CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F	ZINC000072275457	384963156	/nfs/dbraw/zinc/96/31/56/384963156.db2.gz	IHJCHYBXJLDGGH-YUMQZZPRSA-N	1	1	207.195	1.007	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F	ZINC000072275457	384963160	/nfs/dbraw/zinc/96/31/60/384963160.db2.gz	IHJCHYBXJLDGGH-YUMQZZPRSA-N	1	1	207.195	1.007	50	30		BDEAMO
COc1ccc(C[N@@H+](C)CC#CCO)cc1	ZINC000091692313	386303428	/nfs/dbraw/zinc/30/34/28/386303428.db2.gz	LSSFXVOCKFXXFO-UHFFFAOYSA-N	1	1	219.284	1.123	50	30		BDEAMO
C#CC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000056513822	386829662	/nfs/dbraw/zinc/82/96/62/386829662.db2.gz	SVAORWFWNYGRSZ-NSHDSACASA-N	1	1	238.331	1.609	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000056513822	386829668	/nfs/dbraw/zinc/82/96/68/386829668.db2.gz	SVAORWFWNYGRSZ-NSHDSACASA-N	1	1	238.331	1.609	50	30		BDEAMO
C=CCOc1ccc(C[N@H+](C)CC(N)=O)cc1	ZINC000006979024	387883533	/nfs/dbraw/zinc/88/35/33/387883533.db2.gz	LEBZZZAIWIYWBK-UHFFFAOYSA-N	1	1	234.299	1.169	50	30		BDEAMO
C=CCOc1ccc(C[N@@H+](C)CC(N)=O)cc1	ZINC000006979024	387883539	/nfs/dbraw/zinc/88/35/39/387883539.db2.gz	LEBZZZAIWIYWBK-UHFFFAOYSA-N	1	1	234.299	1.169	50	30		BDEAMO
C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCCOC1	ZINC000095395986	388765429	/nfs/dbraw/zinc/76/54/29/388765429.db2.gz	GCJUYTIZMUKGJK-QWHCGFSZSA-N	1	1	235.331	1.788	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](C)Cc1ccc(C)cc1	ZINC000006995816	397939144	/nfs/dbraw/zinc/93/91/44/397939144.db2.gz	VTGYCGMZMBGFCN-UHFFFAOYSA-N	1	1	230.311	1.176	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)Cc1ccc(C)cc1	ZINC000006995816	397939148	/nfs/dbraw/zinc/93/91/48/397939148.db2.gz	VTGYCGMZMBGFCN-UHFFFAOYSA-N	1	1	230.311	1.176	50	30		BDEAMO
C#CC[N@H+](Cc1ccco1)C[C@@H](O)COCC	ZINC000071904870	398055455	/nfs/dbraw/zinc/05/54/55/398055455.db2.gz	UEDLMWFWGKUILI-GFCCVEGCSA-N	1	1	237.299	1.112	50	30		BDEAMO
C#CC[N@@H+](Cc1ccco1)C[C@@H](O)COCC	ZINC000071904870	398055459	/nfs/dbraw/zinc/05/54/59/398055459.db2.gz	UEDLMWFWGKUILI-GFCCVEGCSA-N	1	1	237.299	1.112	50	30		BDEAMO
C#CC[NH2+]CC(=O)Nc1cccc(C)c1	ZINC000020033431	166187907	/nfs/dbraw/zinc/18/79/07/166187907.db2.gz	UQAUOQYVVAMUOJ-UHFFFAOYSA-N	1	1	202.257	1.156	50	30		BDEAMO
C=CC[N@@H+](CCO)Cc1cnc2ccc(C)cn12	ZINC000093512434	166342157	/nfs/dbraw/zinc/34/21/57/166342157.db2.gz	DXZBCMMWOUWELA-UHFFFAOYSA-N	1	1	245.326	1.623	50	30		BDEAMO
C=CC[N@H+](CCO)Cc1cnc2ccc(C)cn12	ZINC000093512434	166342160	/nfs/dbraw/zinc/34/21/60/166342160.db2.gz	DXZBCMMWOUWELA-UHFFFAOYSA-N	1	1	245.326	1.623	50	30		BDEAMO
C=CC[N@@H+](CCc1ccccc1)CC(N)=O	ZINC000060168367	166344645	/nfs/dbraw/zinc/34/46/45/166344645.db2.gz	WZMOUTOVVYUIOY-UHFFFAOYSA-N	1	1	218.300	1.202	50	30		BDEAMO
C=CC[N@H+](CCc1ccccc1)CC(N)=O	ZINC000060168367	166344646	/nfs/dbraw/zinc/34/46/46/166344646.db2.gz	WZMOUTOVVYUIOY-UHFFFAOYSA-N	1	1	218.300	1.202	50	30		BDEAMO
C=CCNC(=O)C[N@H+](CC)Cc1ccccc1	ZINC000048615633	166365208	/nfs/dbraw/zinc/36/52/08/166365208.db2.gz	WHIBRYSJAFBSDA-UHFFFAOYSA-N	1	1	232.327	1.811	50	30		BDEAMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000052635158	166386347	/nfs/dbraw/zinc/38/63/47/166386347.db2.gz	FOBPUHLBRIKUGJ-MNOVXSKESA-N	1	1	210.321	1.409	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)C1CCCCC1	ZINC000048343683	411189555	/nfs/dbraw/zinc/18/95/55/411189555.db2.gz	ZRZKQRSGYQREHS-UHFFFAOYSA-N	1	1	208.305	1.000	50	30		BDEAMO
CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NCC#N	ZINC000084721037	168305620	/nfs/dbraw/zinc/30/56/20/168305620.db2.gz	XLHFTNWQDUCXED-LLVKDONJSA-N	1	1	237.347	1.527	50	30		BDEAMO
CCOCC[N@H+](C)Cc1ccc(C#N)o1	ZINC000096499943	170390663	/nfs/dbraw/zinc/39/06/63/170390663.db2.gz	KLOOHJMTWUCFAS-UHFFFAOYSA-N	1	1	208.261	1.620	50	30		BDEAMO
CCOCC[N@@H+](C)Cc1ccc(C#N)o1	ZINC000096499943	170390665	/nfs/dbraw/zinc/39/06/65/170390665.db2.gz	KLOOHJMTWUCFAS-UHFFFAOYSA-N	1	1	208.261	1.620	50	30		BDEAMO
CC[C@@H]1CN(CCCC#N)CC[N@H+]1CCOC	ZINC000069840559	171079114	/nfs/dbraw/zinc/07/91/14/171079114.db2.gz	KWCJJGFBTLNBDE-CYBMUJFWSA-N	1	1	239.363	1.333	50	30		BDEAMO
C[N@H+]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000049402640	173019524	/nfs/dbraw/zinc/01/95/24/173019524.db2.gz	AZEIHPGYTWCIMC-UHFFFAOYSA-N	1	1	233.290	1.839	50	30		BDEAMO
C[N@H+]1Cc2sc(N)c(C#N)c2CC1(C)C	ZINC000000210021	173202340	/nfs/dbraw/zinc/20/23/40/173202340.db2.gz	UPOCLQGBJVGXOX-UHFFFAOYSA-N	1	1	221.329	1.968	50	30		BDEAMO
C[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000252452538	524217664	/nfs/dbraw/zinc/21/76/64/524217664.db2.gz	NRNMEMRVIBJUGY-BXUZGUMPSA-N	1	1	249.358	1.527	50	30		BDEAMO
Cc1[nH+]ccn1CCNc1ncccc1C#N	ZINC000310235709	635444516	/nfs/dbraw/zinc/44/45/16/635444516.db2.gz	RIXZHPBFBBHPFJ-UHFFFAOYSA-N	1	1	227.271	1.570	50	30		BDEAMO
C#CC[N@@H+](CCOC)Cc1cccs1	ZINC000053099995	398250128	/nfs/dbraw/zinc/25/01/28/398250128.db2.gz	JUSSCEQQYJUAIV-UHFFFAOYSA-N	1	1	209.314	1.830	50	30		BDEAMO
C#CC[N@H+](CCOC)Cc1cccs1	ZINC000053099995	398250133	/nfs/dbraw/zinc/25/01/33/398250133.db2.gz	JUSSCEQQYJUAIV-UHFFFAOYSA-N	1	1	209.314	1.830	50	30		BDEAMO
C=C(Cl)CN1CC[NH+]([C@@H](CC)CO)CC1	ZINC000075963379	398343857	/nfs/dbraw/zinc/34/38/57/398343857.db2.gz	DLQPGZFJXWUZSR-NSHDSACASA-N	1	1	232.755	1.127	50	30		BDEAMO
CC[N@H+](Cc1ccnc(C#N)c1)C[C@H]1CCOC1	ZINC000084777591	344474080	/nfs/dbraw/zinc/47/40/80/344474080.db2.gz	DRVRWGOKWCZHCX-CYBMUJFWSA-N	1	1	245.326	1.812	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@H](CNC(=O)CCC)C1	ZINC000084739894	188270889	/nfs/dbraw/zinc/27/08/89/188270889.db2.gz	WNNLMTQGWJIJIC-GFCCVEGCSA-N	1	1	222.332	1.248	50	30		BDEAMO
C#CCNC(=O)C[N@H+](C)C1CCCCCC1	ZINC000040477564	188307284	/nfs/dbraw/zinc/30/72/84/188307284.db2.gz	PRRSNZKUZWBQPN-UHFFFAOYSA-N	1	1	222.332	1.390	50	30		BDEAMO
C#CCN1CC[NH+](Cc2cccc(O)c2)CC1	ZINC000079014088	188259615	/nfs/dbraw/zinc/25/96/15/188259615.db2.gz	LKYCUHDKUMPIGE-UHFFFAOYSA-N	1	1	230.311	1.143	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1	ZINC000032668143	181104241	/nfs/dbraw/zinc/10/42/41/181104241.db2.gz	UFYYUGVJLHTOFJ-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccccc1NC(=O)C[NH+]1CCCC1	ZINC000004833664	181148017	/nfs/dbraw/zinc/14/80/17/181148017.db2.gz	DUHIFPMLWGPFDM-UHFFFAOYSA-N	1	1	229.283	1.593	50	30		BDEAMO
N#Cc1cccnc1N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000047272594	181154334	/nfs/dbraw/zinc/15/43/34/181154334.db2.gz	WVPQGAVZZACZFW-QWHCGFSZSA-N	1	1	242.326	1.992	50	30		BDEAMO
C[C@@H]1CCCC[C@H]1C[NH+]1CC(O)(CC#N)C1	ZINC000170089706	361391080	/nfs/dbraw/zinc/39/10/80/361391080.db2.gz	CGEHHOVCTJXFFN-NEPJUHHUSA-N	1	1	222.332	1.773	50	30		BDEAMO
C=CCC[C@H](O)C[N@H+](C)[C@H]1CCSC1	ZINC000110696424	369943151	/nfs/dbraw/zinc/94/31/51/369943151.db2.gz	VWJLIBIFGABINN-QWRGUYRKSA-N	1	1	215.362	1.751	50	30		BDEAMO
CC[N@@H+](CC(N)=O)[C@H](C)c1ccc(C#N)cc1	ZINC000042741492	374285741	/nfs/dbraw/zinc/28/57/41/374285741.db2.gz	RVQAHOJCURBUMA-SNVBAGLBSA-N	1	1	231.299	1.426	50	30		BDEAMO
N#CCC[N@H+]1C[C@H](O)C[C@@H]1C1CCCCC1	ZINC000071907948	384155913	/nfs/dbraw/zinc/15/59/13/384155913.db2.gz	FEOBXTZNJHPOSB-CHWSQXEVSA-N	1	1	222.332	1.916	50	30		BDEAMO
C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O	ZINC000071921859	384199532	/nfs/dbraw/zinc/19/95/32/384199532.db2.gz	PIKDNFQFAICWAI-ZDUSSCGKSA-N	1	1	230.311	1.475	50	30		BDEAMO
C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O	ZINC000071921859	384199535	/nfs/dbraw/zinc/19/95/35/384199535.db2.gz	PIKDNFQFAICWAI-ZDUSSCGKSA-N	1	1	230.311	1.475	50	30		BDEAMO
C=CCCC(=O)NCCn1cc[nH+]c1C	ZINC000062021883	385027595	/nfs/dbraw/zinc/02/75/95/385027595.db2.gz	AJZGZKGHBHFQNJ-UHFFFAOYSA-N	1	1	207.277	1.274	50	30		BDEAMO
CC(C)(/C=N/O)[N+](=O)Cc1ccc(O)cc1	ZINC000000522638	385443571	/nfs/dbraw/zinc/44/35/71/385443571.db2.gz	NJMZKCUNWAJHLS-UPAULDTKSA-N	1	1	222.244	1.560	50	30		BDEAMO
C[NH+]1CCN(N=Cc2ccc(F)cc2F)CC1	ZINC000254484877	385691850	/nfs/dbraw/zinc/69/18/50/385691850.db2.gz	QHARGVRXHKLUFG-UHFFFAOYSA-N	1	1	239.269	1.546	50	30		BDEAMO
C#CC[N@H+](C)CCc1ccc(OC)c(OC)c1	ZINC000058087331	386291468	/nfs/dbraw/zinc/29/14/68/386291468.db2.gz	HOZSAUUNCJBSKW-UHFFFAOYSA-N	1	1	233.311	1.811	50	30		BDEAMO
C=CC[C@]1(CO)CCC[N@@H+](CC(C)(C)N)C1	ZINC000091595742	386304126	/nfs/dbraw/zinc/30/41/26/386304126.db2.gz	NQSZQZQTGPTGQH-ZDUSSCGKSA-N	1	1	226.364	1.374	50	30		BDEAMO
C=CC[C@]1(CO)CCC[N@H+](CC(C)(C)N)C1	ZINC000091595742	386304132	/nfs/dbraw/zinc/30/41/32/386304132.db2.gz	NQSZQZQTGPTGQH-ZDUSSCGKSA-N	1	1	226.364	1.374	50	30		BDEAMO
C=C(C)C[NH+]1CCC(CN2CCOCC2)CC1	ZINC000051957801	386577448	/nfs/dbraw/zinc/57/74/48/386577448.db2.gz	DZYCPJWVVQAMRB-UHFFFAOYSA-N	1	1	238.375	1.607	50	30		BDEAMO
C#C[C@H](C)[N@H+](C)Cc1c[nH]c(C(=O)OC)c1	ZINC000225587517	166213592	/nfs/dbraw/zinc/21/35/92/166213592.db2.gz	LZVCNCCJUSDDGQ-VIFPVBQESA-N	1	1	220.272	1.255	50	30		BDEAMO
C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCSC1	ZINC000089939254	166298304	/nfs/dbraw/zinc/29/83/04/166298304.db2.gz	VWJLIBIFGABINN-GHMZBOCLSA-N	1	1	215.362	1.751	50	30		BDEAMO
C=CCNC(=O)C[N@H+](C)C1CCCCC1	ZINC000048613649	166365671	/nfs/dbraw/zinc/36/56/71/166365671.db2.gz	BZUPCDGBOQNQNO-UHFFFAOYSA-N	1	1	210.321	1.553	50	30		BDEAMO
C=CC[NH+]1CCN(c2nc(C)cs2)CC1	ZINC000047890156	166355715	/nfs/dbraw/zinc/35/57/15/166355715.db2.gz	BTSFHBGDSSCISX-UHFFFAOYSA-N	1	1	223.345	1.760	50	30		BDEAMO
C=CCNC(=O)C[N@H+](CC)C1CCCCC1	ZINC000032819321	166365045	/nfs/dbraw/zinc/36/50/45/166365045.db2.gz	SHZQBXCLVTUGMM-UHFFFAOYSA-N	1	1	224.348	1.943	50	30		BDEAMO
CCC(=O)O[C@]1(C#N)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000022205487	168251595	/nfs/dbraw/zinc/25/15/95/168251595.db2.gz	AOXVKLXGIXLVEW-UMNHJUIQSA-N	1	1	224.304	1.562	50	30		BDEAMO
CCc1nnc(NC(=O)C[NH+](C)C)s1	ZINC000020027026	172045045	/nfs/dbraw/zinc/04/50/45/172045045.db2.gz	ZJVYZVJAFBJZJK-UHFFFAOYSA-N	1	1	214.294	1.250	50	30	in-vivo	BDEAMO
C[NH+]1CCN([C@H](C#N)c2ccc(O)cc2)CC1	ZINC000020268571	173093997	/nfs/dbraw/zinc/09/39/97/173093997.db2.gz	PMWBLBVQEKZKNT-CYBMUJFWSA-N	1	1	231.299	1.204	50	30		BDEAMO
COc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1	ZINC000012952421	175038008	/nfs/dbraw/zinc/03/80/08/175038008.db2.gz	LFCQUNMSNZYLTF-UHFFFAOYSA-N	1	1	248.311	1.724	50	30		BDEAMO
C[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000007016527	177073819	/nfs/dbraw/zinc/07/38/19/177073819.db2.gz	YFYWPGZJCQBLLV-FZMZJTMJSA-N	1	1	249.358	1.669	50	30		BDEAMO
CC(C)CCC[N@@H+](C)CCCNC(=O)/C=N\O	ZINC000012382200	644133747	/nfs/dbraw/zinc/13/37/47/644133747.db2.gz	SWUUJKQPUILMTP-UVTDQMKNSA-N	1	1	243.351	1.321	50	30		BDEAMO
C#CCCC1(CCC(=O)N[C@@H]2CC[N@H+](C)C2)N=N1	ZINC000952883402	974062150	/nfs/dbraw/zinc/06/21/50/974062150.db2.gz	WVQRPIBVCUQQHE-LLVKDONJSA-N	1	1	248.330	1.162	50	30		BDEAMO
O=CN1CCC[N@H+](CC#Cc2ccccc2)CC1	ZINC000298158368	343239245	/nfs/dbraw/zinc/23/92/45/343239245.db2.gz	SFJXCMGFNMNKIJ-UHFFFAOYSA-N	1	1	242.322	1.202	50	30		BDEAMO
O=CN1CCC[N@@H+](CC#Cc2ccccc2)CC1	ZINC000298158368	343239247	/nfs/dbraw/zinc/23/92/47/343239247.db2.gz	SFJXCMGFNMNKIJ-UHFFFAOYSA-N	1	1	242.322	1.202	50	30		BDEAMO
C=CCCCCC[N@H+]1CCCNC(=O)[C@@H]1C	ZINC000193576536	346186607	/nfs/dbraw/zinc/18/66/07/346186607.db2.gz	JXIMWWIFTWRPGK-LBPRGKRZSA-N	1	1	224.348	1.943	50	30		BDEAMO
C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000065577232	166274859	/nfs/dbraw/zinc/27/48/59/166274859.db2.gz	DPWFORJAYWJHCM-VXGBXAGGSA-N	1	1	240.347	1.036	50	30		BDEAMO
C=C(C)C[N@H+]1CC[C@H](N2CCN(CC)CC2)C1	ZINC000084789309	188270773	/nfs/dbraw/zinc/27/07/73/188270773.db2.gz	RPAGJRVOJHHOIR-AWEZNQCLSA-N	1	1	237.391	1.274	50	30		BDEAMO
C=C(C)C[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1	ZINC000084789309	188270775	/nfs/dbraw/zinc/27/07/75/188270775.db2.gz	RPAGJRVOJHHOIR-AWEZNQCLSA-N	1	1	237.391	1.274	50	30		BDEAMO
C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](C)C1	ZINC000067446624	188283140	/nfs/dbraw/zinc/28/31/40/188283140.db2.gz	URPWYJCEVRHGLV-LLVKDONJSA-N	1	1	224.348	1.657	50	30		BDEAMO
N#Cc1cc(C[N@H+]2CC[C@H](O)C2)ccc1F	ZINC000096483863	181085987	/nfs/dbraw/zinc/08/59/87/181085987.db2.gz	CXODXGNSRDIBFY-NSHDSACASA-N	1	1	220.247	1.264	50	30		BDEAMO
N#Cc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1F	ZINC000096483863	181085989	/nfs/dbraw/zinc/08/59/89/181085989.db2.gz	CXODXGNSRDIBFY-NSHDSACASA-N	1	1	220.247	1.264	50	30		BDEAMO
C[N@H+]1CCCC[C@H]1COc1cc(C#N)ccn1	ZINC000088165638	538572700	/nfs/dbraw/zinc/57/27/00/538572700.db2.gz	QRKXCEMPQDWXOT-LBPRGKRZSA-N	1	1	231.299	1.816	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000040473963	358018144	/nfs/dbraw/zinc/01/81/44/358018144.db2.gz	TXDDMPNPIMTGPM-CHWSQXEVSA-N	1	1	249.358	1.671	50	30		BDEAMO
Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1C#N	ZINC000030714415	371962297	/nfs/dbraw/zinc/96/22/97/371962297.db2.gz	UYCFIEBHYMQPLI-UHFFFAOYSA-N	1	1	228.211	1.961	50	30		BDEAMO
N#CCC[N@@H+]1CCCC[C@@H]1Cn1cccn1	ZINC000071876974	374320072	/nfs/dbraw/zinc/32/00/72/374320072.db2.gz	RZVYYQIILVRQNB-GFCCVEGCSA-N	1	1	218.304	1.651	50	30		BDEAMO
N#CCC[N@H+]1CCCC[C@@H]1Cn1cccn1	ZINC000071876974	374320078	/nfs/dbraw/zinc/32/00/78/374320078.db2.gz	RZVYYQIILVRQNB-GFCCVEGCSA-N	1	1	218.304	1.651	50	30		BDEAMO
C#CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000106869608	384533394	/nfs/dbraw/zinc/53/33/94/384533394.db2.gz	GCSGXKDBGOAZAG-JTQLQIEISA-N	1	1	224.304	1.219	50	30		BDEAMO
C#CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000106869608	384533401	/nfs/dbraw/zinc/53/34/01/384533401.db2.gz	GCSGXKDBGOAZAG-JTQLQIEISA-N	1	1	224.304	1.219	50	30		BDEAMO
C#CCCCCCC[N@@H+]1CC[C@@H](C(N)=O)C1	ZINC000583650743	384856141	/nfs/dbraw/zinc/85/61/41/384856141.db2.gz	AEAXTJFICQELNP-GFCCVEGCSA-N	1	1	222.332	1.377	50	30		BDEAMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCCOCC2)cc1	ZINC000061918464	385001464	/nfs/dbraw/zinc/00/14/64/385001464.db2.gz	HBLQILBOSWAXAV-AWEZNQCLSA-N	1	1	246.310	1.314	50	30		BDEAMO
C#CC[N@H+](C)Cc1ccc(N(C)C)cc1	ZINC000057996565	386281821	/nfs/dbraw/zinc/28/18/21/386281821.db2.gz	ZEFVGCUXLJWHDQ-UHFFFAOYSA-N	1	1	202.301	1.818	50	30		BDEAMO
N#CCC[C@@H](C#N)C[N@H+]1CC[C@]2(CCOC2)C1	ZINC000089819360	388368069	/nfs/dbraw/zinc/36/80/69/388368069.db2.gz	NSBJLKMBKBJQGB-STQMWFEESA-N	1	1	233.315	1.542	50	30		BDEAMO
C[NH+]1CCN(N=Cc2ccccc2F)CC1	ZINC000254507036	388807651	/nfs/dbraw/zinc/80/76/51/388807651.db2.gz	TZELVFPVVRYRCX-UHFFFAOYSA-N	1	1	221.279	1.407	50	30		BDEAMO
Oc1ccccc1/C=N\CCC[NH+]1CCOCC1	ZINC000019861703	134154979	/nfs/dbraw/zinc/15/49/79/134154979.db2.gz	MBZHORGUJVHIJX-QINSGFPZSA-N	1	1	248.326	1.533	50	30		BDEAMO
C[N@H+](CC(=O)NCCC#N)Cc1ccccc1	ZINC000058007400	398069963	/nfs/dbraw/zinc/06/99/63/398069963.db2.gz	ZBMYVYUGCUGPGJ-UHFFFAOYSA-N	1	1	231.299	1.148	50	30		BDEAMO
C[N@@H+](CC(=O)NCCC#N)Cc1ccccc1	ZINC000058007400	398069968	/nfs/dbraw/zinc/06/99/68/398069968.db2.gz	ZBMYVYUGCUGPGJ-UHFFFAOYSA-N	1	1	231.299	1.148	50	30		BDEAMO
C#CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1	ZINC000065591953	166171615	/nfs/dbraw/zinc/17/16/15/166171615.db2.gz	UJNJETMNBYORAO-LBPRGKRZSA-N	1	1	222.332	1.104	50	30		BDEAMO
C=CC[N@H+]1CCN(Cc2nccn2C)[C@@H](C)C1	ZINC000069459738	166355232	/nfs/dbraw/zinc/35/52/32/166355232.db2.gz	OVZXYMVXMGBGOV-LBPRGKRZSA-N	1	1	234.347	1.112	50	30		BDEAMO
CCOC(=O)[C@H]1CCC[N@H+](C[C@H](C)C#N)C1	ZINC000101539196	170279999	/nfs/dbraw/zinc/27/99/99/170279999.db2.gz	LAXJEOLWXZNHGL-MNOVXSKESA-N	1	1	224.304	1.421	50	30		BDEAMO
CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](C)C#N)C1	ZINC000101539196	170280000	/nfs/dbraw/zinc/28/00/00/170280000.db2.gz	LAXJEOLWXZNHGL-MNOVXSKESA-N	1	1	224.304	1.421	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000005031037	173063530	/nfs/dbraw/zinc/06/35/30/173063530.db2.gz	LLROWFZFGCZOFA-JLHYYAGUSA-N	1	1	248.286	1.176	50	30		BDEAMO
C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000019934063	173094328	/nfs/dbraw/zinc/09/43/28/173094328.db2.gz	XQKUDTNQMGTCMZ-CYBMUJFWSA-N	1	1	215.300	1.499	50	30		BDEAMO
C[N@H+]1CC[C@H]2CCN(c3cc(C#N)ccn3)[C@@H]2C1	ZINC000284892023	173160516	/nfs/dbraw/zinc/16/05/16/173160516.db2.gz	HCNXPJZQDPHACW-QWHCGFSZSA-N	1	1	242.326	1.484	50	30		BDEAMO
C[C@](C#N)(NC(=O)C[NH+]1CCCCC1)C1CC1	ZINC000007016060	177440904	/nfs/dbraw/zinc/44/09/04/177440904.db2.gz	AMVLLHWGCKBBSY-CYBMUJFWSA-N	1	1	235.331	1.281	50	30		BDEAMO
CCNC(NCCN(C)C1CCCC1)=[NH+]CC	ZINC000195530034	487792784	/nfs/dbraw/zinc/79/27/84/487792784.db2.gz	ZVYRAJRKNHOVAS-UHFFFAOYSA-N	1	1	240.395	1.436	50	30		BDEAMO
C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000097162234	490326021	/nfs/dbraw/zinc/32/60/21/490326021.db2.gz	WALFROYUPFTHQU-GHMZBOCLSA-N	1	1	234.299	1.744	50	30		BDEAMO
C=CCC[C@H](O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1	ZINC000328588832	518728544	/nfs/dbraw/zinc/72/85/44/518728544.db2.gz	RFQHJDSIHSMIEA-UBHSHLNASA-N	1	1	239.359	1.813	50	30		BDEAMO
Cc1cc(F)ccc1C[NH+]1CCN(CC#N)CC1	ZINC000092936332	524974754	/nfs/dbraw/zinc/97/47/54/524974754.db2.gz	IQMSTDGEIOZZMV-UHFFFAOYSA-N	1	1	247.317	1.775	50	30		BDEAMO
CC[C@@H](CC#N)NC(=O)c1ccc(C[NH+](C)C)o1	ZINC000952881641	974063000	/nfs/dbraw/zinc/06/30/00/974063000.db2.gz	MGXIOWNGZHLODJ-JTQLQIEISA-N	1	1	249.314	1.763	50	30		BDEAMO
Cc1[nH]c(C[N@@H+](C)C[C@@H]2CCOC2)cc1C#N	ZINC000584902078	342713931	/nfs/dbraw/zinc/71/39/31/342713931.db2.gz	KBTCYMVDLYSGCM-NSHDSACASA-N	1	1	233.315	1.663	50	30		BDEAMO
CC(=O)C[n+]1cccc2cccc(O)c21	ZINC000002810097	342727365	/nfs/dbraw/zinc/72/73/65/342727365.db2.gz	VNHRMJCPKROILA-UHFFFAOYSA-O	1	1	202.233	1.422	50	30		BDEAMO
CC(C)CC12CN3CC(C[N@@H+](C1)CC3)/C2=N\O	ZINC000022918922	343056602	/nfs/dbraw/zinc/05/66/02/343056602.db2.gz	MCGCWNGBOJJTEP-WYMLVPIESA-N	1	1	237.347	1.110	50	30		BDEAMO
Cc1[nH+]cn(CC(=O)N[C@](C)(C#N)C2CC2)c1C	ZINC000071904322	180284929	/nfs/dbraw/zinc/28/49/29/180284929.db2.gz	JNAQJEIHKXEAEN-CYBMUJFWSA-N	1	1	246.314	1.308	50	30		BDEAMO
C[C@H]1C[N@@H+](C)CCN1Cc1cc(C#N)ccc1F	ZINC000089939263	362969744	/nfs/dbraw/zinc/96/97/44/362969744.db2.gz	QTHVWFGPVDSLSK-NSHDSACASA-N	1	1	247.317	1.833	50	30		BDEAMO
C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CC	ZINC000057828677	166366117	/nfs/dbraw/zinc/36/61/17/166366117.db2.gz	PPWJXKZPIRTJGT-LLVKDONJSA-N	1	1	210.321	1.553	50	30		BDEAMO
N#Cc1ccc(CNCC[NH+]2CCCC2)cc1	ZINC000020126865	181107830	/nfs/dbraw/zinc/10/78/30/181107830.db2.gz	RQMABMWZDWCEJP-UHFFFAOYSA-N	1	1	229.327	1.744	50	30		BDEAMO
C=C1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1	ZINC000618256124	356470941	/nfs/dbraw/zinc/47/09/41/356470941.db2.gz	NRVCVPAWSOTXIA-LBPRGKRZSA-N	1	1	220.316	1.402	50	30		BDEAMO
C#CC[N@@H+](CC(N)=O)[C@H]1CCc2ccccc21	ZINC000040539390	359341201	/nfs/dbraw/zinc/34/12/01/359341201.db2.gz	XZDYJDZRGLBSLM-ZDUSSCGKSA-N	1	1	228.295	1.094	50	30		BDEAMO
C#CC[N@H+](CC(N)=O)[C@H]1CCc2ccccc21	ZINC000040539390	359341203	/nfs/dbraw/zinc/34/12/03/359341203.db2.gz	XZDYJDZRGLBSLM-ZDUSSCGKSA-N	1	1	228.295	1.094	50	30		BDEAMO
N#Cc1cc2n(n1)CCC[N@H+]([C@H]1CCSC1)C2	ZINC000584893972	369040504	/nfs/dbraw/zinc/04/05/04/369040504.db2.gz	SVXWHYKWTSYKBH-NSHDSACASA-N	1	1	248.355	1.466	50	30		BDEAMO
C=C(C)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1	ZINC000040007944	373087270	/nfs/dbraw/zinc/08/72/70/373087270.db2.gz	JVLGKBGPJOUUBF-LLVKDONJSA-N	1	1	211.305	1.838	50	30		BDEAMO
N#CCC[N@H+]1C[C@H](O)C[C@H]1C1CCCCC1	ZINC000071907947	384156407	/nfs/dbraw/zinc/15/64/07/384156407.db2.gz	FEOBXTZNJHPOSB-OLZOCXBDSA-N	1	1	222.332	1.916	50	30		BDEAMO
CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)o1	ZINC000097139302	384379502	/nfs/dbraw/zinc/37/95/02/384379502.db2.gz	WWGRCJFHKKEHRN-AWEZNQCLSA-N	1	1	247.342	1.923	50	30		BDEAMO
C=CC[C@@]1(CO)CCC[N@H+](CCOCC)C1	ZINC000091877054	386325256	/nfs/dbraw/zinc/32/52/56/386325256.db2.gz	JFAXYMZHQOSSBR-CYBMUJFWSA-N	1	1	227.348	1.674	50	30		BDEAMO
C#CC[N@@H+](C)CCOc1ccccc1F	ZINC000053421111	387001634	/nfs/dbraw/zinc/00/16/34/387001634.db2.gz	QOBCUPBBECGBQR-UHFFFAOYSA-N	1	1	207.248	1.770	50	30		BDEAMO
C#CC[N@H+](C)CCc1ccc(OC)cc1	ZINC000192230063	387356373	/nfs/dbraw/zinc/35/63/73/387356373.db2.gz	KJJPTKQBMAZLDX-UHFFFAOYSA-N	1	1	203.285	1.803	50	30		BDEAMO
C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H](C)O	ZINC000069738374	388425722	/nfs/dbraw/zinc/42/57/22/388425722.db2.gz	DHORMPRNLNSCRW-VHSXEESVSA-N	1	1	203.713	1.974	50	30		BDEAMO
C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCCOC1	ZINC000108079019	388611690	/nfs/dbraw/zinc/61/16/90/388611690.db2.gz	GCJUYTIZMUKGJK-OLZOCXBDSA-N	1	1	235.331	1.788	50	30		BDEAMO
CC[C@H]1C[N@@H+](CC)CCN1c1cncc(C#N)n1	ZINC000518156404	388661831	/nfs/dbraw/zinc/66/18/31/388661831.db2.gz	GFAKAELQWJAZBZ-LBPRGKRZSA-N	1	1	245.330	1.269	50	30		BDEAMO
N#C[C@H]1CC[C@H]([N@@H+]2CCNC(=O)CC2)C1	ZINC000328706516	388740116	/nfs/dbraw/zinc/74/01/16/388740116.db2.gz	AJTIFKBHVTZXHN-UWVGGRQHSA-N	1	1	207.277	1.341	50	30		BDEAMO
C#CCN1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000095980899	388800473	/nfs/dbraw/zinc/80/04/73/388800473.db2.gz	OCARKCZUDNJJQF-CYBMUJFWSA-N	1	1	224.348	1.052	50	30		BDEAMO
C#CCN1CC[N@@H+](CC#C)[C@H](CCC)C1	ZINC000095413950	388767841	/nfs/dbraw/zinc/76/78/41/388767841.db2.gz	NSUKIMSOOWRNST-CYBMUJFWSA-N	1	1	204.317	1.039	50	30		BDEAMO
C#CCN1CC[N@@H+](CC#C)C[C@H]1CCC	ZINC000095413950	388767844	/nfs/dbraw/zinc/76/78/44/388767844.db2.gz	NSUKIMSOOWRNST-CYBMUJFWSA-N	1	1	204.317	1.039	50	30		BDEAMO
C#CCN1CC[N@H+](CC#C)C[C@H]1CCC	ZINC000095413950	388767847	/nfs/dbraw/zinc/76/78/47/388767847.db2.gz	NSUKIMSOOWRNST-CYBMUJFWSA-N	1	1	204.317	1.039	50	30		BDEAMO
N#Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1	ZINC000020941464	388787240	/nfs/dbraw/zinc/78/72/40/388787240.db2.gz	XFVBBBVYPFNPMF-CYBMUJFWSA-N	1	1	216.284	1.515	50	30		BDEAMO
C=CC[C@H](C)[C@H](C)[N@@H+]1CCO[C@H](C(=O)OC)C1	ZINC000097084369	388833561	/nfs/dbraw/zinc/83/35/61/388833561.db2.gz	BMMYESWWAKQMGY-SRVKXCTJSA-N	1	1	241.331	1.461	50	30		BDEAMO
C=CC[NH+]1CCN(c2ccccn2)CC1	ZINC000040460976	132223467	/nfs/dbraw/zinc/22/34/67/132223467.db2.gz	VVBIZTBKCXOKNN-UHFFFAOYSA-N	1	1	203.289	1.390	50	30		BDEAMO
C=CC[NH+]1CCN(c2ccccc2O)CC1	ZINC000045910640	132225222	/nfs/dbraw/zinc/22/52/22/132225222.db2.gz	BQUAQFOKELLMKI-UHFFFAOYSA-N	1	1	218.300	1.700	50	30		BDEAMO
N#Cc1c(F)cccc1N1CC[NH+](C2CC2)CC1	ZINC000049390424	132355909	/nfs/dbraw/zinc/35/59/09/132355909.db2.gz	HMEKBSKMXRGPDX-UHFFFAOYSA-N	1	1	245.301	1.982	50	30		BDEAMO
C#CC[NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1	ZINC000097238426	166191024	/nfs/dbraw/zinc/19/10/24/166191024.db2.gz	JPDRSYRTCNYJNI-JTQLQIEISA-N	1	1	229.201	1.360	50	30		BDEAMO
C=CC[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000069663273	166356665	/nfs/dbraw/zinc/35/66/65/166356665.db2.gz	AFPGUSRUCSGPHX-NSHDSACASA-N	1	1	206.293	1.176	50	30		BDEAMO
C=CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000045911629	166356953	/nfs/dbraw/zinc/35/69/53/166356953.db2.gz	SRNGGXUDWNNCKU-UHFFFAOYSA-N	1	1	241.338	1.862	50	30		BDEAMO
CCOC(=O)[C@]1(C)O[C@]12C[C@H](C)[N@@H+](C)C[C@@H]2C	ZINC000000544968	170285693	/nfs/dbraw/zinc/28/56/93/170285693.db2.gz	NUSPFIPXZQKSOH-UKJIMTQDSA-N	1	1	241.331	1.437	50	30		BDEAMO
C[N@H+]1CCCN(c2ccc(C#N)nc2)CC1	ZINC000097227375	173017817	/nfs/dbraw/zinc/01/78/17/173017817.db2.gz	YNNQCOHXVZGLKR-UHFFFAOYSA-N	1	1	216.288	1.095	50	30		BDEAMO
CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1	ZINC000020653091	173082815	/nfs/dbraw/zinc/08/28/15/173082815.db2.gz	ZSNYOUGKGZGYDP-UHFFFAOYSA-N	1	1	245.326	1.184	50	30		BDEAMO
COc1ccc([C@H](C[NH2+]CCC#N)N(C)C)cc1	ZINC000022037949	175190886	/nfs/dbraw/zinc/19/08/86/175190886.db2.gz	CARWOZBDQGZOLF-AWEZNQCLSA-N	1	1	247.342	1.801	50	30		BDEAMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CO)C1	ZINC000084651515	176012719	/nfs/dbraw/zinc/01/27/19/176012719.db2.gz	RDICQQJPNLRXAZ-AAEUAGOBSA-N	1	1	230.311	1.933	50	30		BDEAMO
C[C@H](O)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1	ZINC000089931781	177014800	/nfs/dbraw/zinc/01/48/00/177014800.db2.gz	VMDBIQVSEBIATQ-AVGNSLFASA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1	ZINC000089931781	177014801	/nfs/dbraw/zinc/01/48/01/177014801.db2.gz	VMDBIQVSEBIATQ-AVGNSLFASA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000097162235	177015001	/nfs/dbraw/zinc/01/50/01/177015001.db2.gz	WALFROYUPFTHQU-QWRGUYRKSA-N	1	1	234.299	1.744	50	30		BDEAMO
C#CC[N@@H+](CCCC(=O)OC)Cc1ccco1	ZINC000071909498	518258599	/nfs/dbraw/zinc/25/85/99/518258599.db2.gz	NVEFDQRCWXJXPS-UHFFFAOYSA-N	1	1	235.283	1.668	50	30		BDEAMO
C#CC[N@H+](CCCC(=O)OC)Cc1ccco1	ZINC000071909498	518258614	/nfs/dbraw/zinc/25/86/14/518258614.db2.gz	NVEFDQRCWXJXPS-UHFFFAOYSA-N	1	1	235.283	1.668	50	30		BDEAMO
CCNC(NC[C@@H](C)N(CC)CC)=[NH+]CC	ZINC000241470643	521731404	/nfs/dbraw/zinc/73/14/04/521731404.db2.gz	NWUXZBRRYZNDBA-LLVKDONJSA-N	1	1	228.384	1.292	50	30		BDEAMO
C=CC[C@@]1(CO)CCC[N@H+](CCCCO)C1	ZINC000091756276	644636952	/nfs/dbraw/zinc/63/69/52/644636952.db2.gz	IMPXQRXGWMWQMK-CYBMUJFWSA-N	1	1	227.348	1.410	50	30		BDEAMO
C[N@H+]1CCCC[C@H]1CCn1cnc(C#N)n1	ZINC000219668281	259303542	/nfs/dbraw/zinc/30/35/42/259303542.db2.gz	LLUDNRNCAKZIFW-JTQLQIEISA-N	1	1	219.292	1.024	50	30		BDEAMO
C=CCO[C@H]1CC[N@H+](Cc2cnn(CC)c2)C1	ZINC000097108607	398237742	/nfs/dbraw/zinc/23/77/42/398237742.db2.gz	OMUCQGMCQZJNRN-ZDUSSCGKSA-N	1	1	235.331	1.680	50	30		BDEAMO
C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000097162236	398250315	/nfs/dbraw/zinc/25/03/15/398250315.db2.gz	WALFROYUPFTHQU-MNOVXSKESA-N	1	1	234.299	1.744	50	30		BDEAMO
C[C@H](O)C[N@H+]1CCN(CCCCC#N)C[C@H]1C	ZINC000106841021	398286123	/nfs/dbraw/zinc/28/61/23/398286123.db2.gz	LHPOTDQCWFJUFP-OLZOCXBDSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@H](O)CN1CC[N@H+](CCCCC#N)C[C@H]1C	ZINC000106841021	398286125	/nfs/dbraw/zinc/28/61/25/398286125.db2.gz	LHPOTDQCWFJUFP-OLZOCXBDSA-N	1	1	239.363	1.067	50	30		BDEAMO
C[C@H](O)CN1CC[N@@H+](CCCCC#N)C[C@H]1C	ZINC000106841021	398286127	/nfs/dbraw/zinc/28/61/27/398286127.db2.gz	LHPOTDQCWFJUFP-OLZOCXBDSA-N	1	1	239.363	1.067	50	30		BDEAMO
N#CCCC[N@H+]1CCC[C@H]1Cn1cccn1	ZINC000069950949	181035797	/nfs/dbraw/zinc/03/57/97/181035797.db2.gz	WVBVVQNHERLRDO-LBPRGKRZSA-N	1	1	218.304	1.651	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000042432810	181145483	/nfs/dbraw/zinc/14/54/83/181145483.db2.gz	AVUCUYWEKLSNMR-ZDUSSCGKSA-N	1	1	216.284	1.515	50	30		BDEAMO
[NH2+]=C(NC(=O)c1ccccc1)N1CCCC1	ZINC000064864414	181180038	/nfs/dbraw/zinc/18/00/38/181180038.db2.gz	WUUKIFPZWFWSBN-UHFFFAOYSA-N	1	1	217.272	1.237	50	30		BDEAMO
Cc1cnn(CC(=O)NCC[N@@H+]2CC=CCC2)c1	ZINC000330074460	356168415	/nfs/dbraw/zinc/16/84/15/356168415.db2.gz	FQTNXELWUHFBAL-UHFFFAOYSA-N	1	1	248.330	1.410	50	30		BDEAMO
C=CCn1c(=[NH2+])n(CCO)c2ccccc21	ZINC000019720645	359951577	/nfs/dbraw/zinc/95/15/77/359951577.db2.gz	YRVJEGYSKMHTCV-UHFFFAOYSA-N	1	1	217.272	1.101	50	30		BDEAMO
C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCC2)C1	ZINC000007787499	541446427	/nfs/dbraw/zinc/44/64/27/541446427.db2.gz	NQCLMGFWWFWSQB-GFCCVEGCSA-N	1	1	249.358	1.671	50	30		BDEAMO
C#CC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1	ZINC000040496359	373334407	/nfs/dbraw/zinc/33/44/07/373334407.db2.gz	HABLLYYMIUOBPZ-UHFFFAOYSA-N	1	1	242.322	1.644	50	30		BDEAMO
CC[C@H](CC#N)[NH2+]Cc1cccc(C(N)=O)c1	ZINC000071205061	384153588	/nfs/dbraw/zinc/15/35/88/384153588.db2.gz	RZWYCECGHDGWBC-GFCCVEGCSA-N	1	1	231.299	1.567	50	30		BDEAMO
C#C[C@@H](C)[N@H+](C)Cc1c[nH]c(C(=O)OC)c1	ZINC000225587540	384871427	/nfs/dbraw/zinc/87/14/27/384871427.db2.gz	LZVCNCCJUSDDGQ-SECBINFHSA-N	1	1	220.272	1.255	50	30		BDEAMO
C[C@H](CC#N)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000221673425	385272431	/nfs/dbraw/zinc/27/24/31/385272431.db2.gz	QFBGPRWATJXKON-VXGBXAGGSA-N	1	1	233.319	1.292	50	30		BDEAMO
C[C@H](CC#N)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000221673425	385272437	/nfs/dbraw/zinc/27/24/37/385272437.db2.gz	QFBGPRWATJXKON-VXGBXAGGSA-N	1	1	233.319	1.292	50	30		BDEAMO
C=C[C@@H]1CCN(C(=O)NCCc2cnc[nH]2)C1	ZINC000426620309	385925168	/nfs/dbraw/zinc/92/51/68/385925168.db2.gz	XLISEKMKFLICOY-SNVBAGLBSA-N	1	1	234.303	1.170	50	30		BDEAMO
CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000102736510	387347892	/nfs/dbraw/zinc/34/78/92/387347892.db2.gz	YKBNAOAOCKHNKJ-NEPJUHHUSA-N	1	1	243.347	1.565	50	30		BDEAMO
CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000102736510	387347897	/nfs/dbraw/zinc/34/78/97/387347897.db2.gz	YKBNAOAOCKHNKJ-NEPJUHHUSA-N	1	1	243.347	1.565	50	30		BDEAMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCCCC1	ZINC000007016053	387889182	/nfs/dbraw/zinc/88/91/82/387889182.db2.gz	SMUSHFNEKWTHJN-CYBMUJFWSA-N	1	1	237.347	1.527	50	30		BDEAMO
CCNC(NCCN1CCCCC1)=[NH+]CC	ZINC000195529788	388478464	/nfs/dbraw/zinc/47/84/64/388478464.db2.gz	QTAGIFHQXAAREI-UHFFFAOYSA-N	1	1	226.368	1.047	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOC)[C@H](C)C1	ZINC000069706644	388425091	/nfs/dbraw/zinc/42/50/91/388425091.db2.gz	WCRYHXNOSHGKBO-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOC)[C@H](C)C1	ZINC000069706644	388425094	/nfs/dbraw/zinc/42/50/94/388425094.db2.gz	WCRYHXNOSHGKBO-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=C(C)CN1CC[N@H+](CCOC)[C@H](C)C1	ZINC000069706644	388425096	/nfs/dbraw/zinc/42/50/96/388425096.db2.gz	WCRYHXNOSHGKBO-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1	ZINC000069743330	388426091	/nfs/dbraw/zinc/42/60/91/388426091.db2.gz	JPDKEHXNLBNEBD-LLVKDONJSA-N	1	1	223.320	1.052	50	30		BDEAMO
C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1	ZINC000095993812	388802083	/nfs/dbraw/zinc/80/20/83/388802083.db2.gz	ZYKZEXTWTOMJBH-DGCLKSJQSA-N	1	1	230.311	1.761	50	30		BDEAMO
C=CC[C@H](C)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC	ZINC000097084378	388833997	/nfs/dbraw/zinc/83/39/97/388833997.db2.gz	OYUOCBIJPCJSRR-QCNOEVLYSA-N	1	1	241.331	1.195	50	30		BDEAMO
N#Cc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000252674150	132303805	/nfs/dbraw/zinc/30/38/05/132303805.db2.gz	PITHMNZNUXBCNE-AWEZNQCLSA-N	1	1	227.311	1.843	50	30		BDEAMO
C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCSC1	ZINC000089939257	166303624	/nfs/dbraw/zinc/30/36/24/166303624.db2.gz	VWJLIBIFGABINN-MNOVXSKESA-N	1	1	215.362	1.751	50	30		BDEAMO
C[N@H+](CC(=O)NCCC#N)Cc1cccc(F)c1	ZINC000048278385	411185677	/nfs/dbraw/zinc/18/56/77/411185677.db2.gz	HAFONFQBLOLNSD-UHFFFAOYSA-N	1	1	249.289	1.287	50	30		BDEAMO
C[N@@H+](CC(=O)NCCC#N)Cc1cccc(F)c1	ZINC000048278385	411185683	/nfs/dbraw/zinc/18/56/83/411185683.db2.gz	HAFONFQBLOLNSD-UHFFFAOYSA-N	1	1	249.289	1.287	50	30		BDEAMO
C[NH+]1CCN(/C=C2/CCCCC2=O)CC1	ZINC000083881676	173065222	/nfs/dbraw/zinc/06/52/22/173065222.db2.gz	LCEQFYQIPKWKAS-KHPPLWFESA-N	1	1	208.305	1.261	50	30		BDEAMO
C[NH+]1CCN(/N=C/c2c[nH]c3ccccc23)CC1	ZINC000004833445	173065856	/nfs/dbraw/zinc/06/58/56/173065856.db2.gz	UOIAJZPVKXLLOX-LFIBNONCSA-N	1	1	242.326	1.749	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1	ZINC000089939274	176267191	/nfs/dbraw/zinc/26/71/91/176267191.db2.gz	LMJQFIYEYVVCNZ-GFCCVEGCSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)cc1	ZINC000089939274	176267193	/nfs/dbraw/zinc/26/71/93/176267193.db2.gz	LMJQFIYEYVVCNZ-GFCCVEGCSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)cc1	ZINC000089939274	176267195	/nfs/dbraw/zinc/26/71/95/176267195.db2.gz	LMJQFIYEYVVCNZ-GFCCVEGCSA-N	1	1	229.327	1.694	50	30		BDEAMO
C=CCN1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000106776988	518865765	/nfs/dbraw/zinc/86/57/65/518865765.db2.gz	SEFIOYYEWBCVGS-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CC[N@H+]1CCN(CCOCC)[C@H](C)C1	ZINC000106776988	518865770	/nfs/dbraw/zinc/86/57/70/518865770.db2.gz	SEFIOYYEWBCVGS-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CC[N@@H+]1CCN(CCOCC)[C@H](C)C1	ZINC000106776988	518865774	/nfs/dbraw/zinc/86/57/74/518865774.db2.gz	SEFIOYYEWBCVGS-GFCCVEGCSA-N	1	1	212.337	1.215	50	30		BDEAMO
CC[N@@H+]1[C@H](C)CN(c2cnc(C#N)cn2)C[C@@H]1C	ZINC000874435501	590110460	/nfs/dbraw/zinc/11/04/60/590110460.db2.gz	VQOXGSJOANJCDR-PHIMTYICSA-N	1	1	245.330	1.267	50	30		BDEAMO
CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1	ZINC000874435284	590110543	/nfs/dbraw/zinc/11/05/43/590110543.db2.gz	QOUVAVJDRVZFDN-NSHDSACASA-N	1	1	232.283	1.952	50	30		BDEAMO
CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1	ZINC000874435284	590110545	/nfs/dbraw/zinc/11/05/45/590110545.db2.gz	QOUVAVJDRVZFDN-NSHDSACASA-N	1	1	232.283	1.952	50	30		BDEAMO
C[C@@H]1CC[N@H+]1Cc1cc(C#CCO)cs1	ZINC000706826716	712156539	/nfs/dbraw/zinc/15/65/39/712156539.db2.gz	ZISICVGOAZJUKA-SNVBAGLBSA-N	1	1	221.325	1.686	50	30		BDEAMO
C=CCn1ncc(C[N@H+](C)CC2(C)COC2)c1C	ZINC000820505244	968475790	/nfs/dbraw/zinc/47/57/90/968475790.db2.gz	DOXXGFIXLJQKMX-UHFFFAOYSA-N	1	1	249.358	1.846	50	30		BDEAMO
Cc1c(C[N@@H+](C)CC2(C)COC2)cc(C#N)n1C	ZINC000826771119	968678861	/nfs/dbraw/zinc/67/88/61/968678861.db2.gz	ALHAJMCOLNOCOC-UHFFFAOYSA-N	1	1	247.342	1.674	50	30		BDEAMO
C[C@H](CC(N)=O)[N@@H+](C)Cc1ccccc1C#N	ZINC001506421648	988778166	/nfs/dbraw/zinc/77/81/66/988778166.db2.gz	KKSUMRGCMWBXGE-SNVBAGLBSA-N	1	1	231.299	1.254	50	30		BDEAMO
c1ccc2[nH]c(NC3=[NH+]CCC3)nc2c1	ZINC000006567036	398203287	/nfs/dbraw/zinc/20/32/87/398203287.db2.gz	XUONEJZJTMHYNC-UHFFFAOYSA-N	1	1	200.245	1.976	50	30		BDEAMO
CNC(NCCCN1Cc2ccccc2C1)=[NH+]C	ZINC000072270968	343117604	/nfs/dbraw/zinc/11/76/04/343117604.db2.gz	RCMZXUPPHZPGSJ-UHFFFAOYSA-N	1	1	246.358	1.187	50	30		BDEAMO
CC[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N	ZINC000058368199	343699751	/nfs/dbraw/zinc/69/97/51/343699751.db2.gz	GWOLBJMACWDUAP-LLVKDONJSA-N	1	1	223.320	1.281	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1cc(C#N)ccc1F	ZINC000089939262	362969760	/nfs/dbraw/zinc/96/97/60/362969760.db2.gz	QTHVWFGPVDSLSK-LLVKDONJSA-N	1	1	247.317	1.833	50	30		BDEAMO
N#Cc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1F	ZINC000096483864	181085446	/nfs/dbraw/zinc/08/54/46/181085446.db2.gz	CXODXGNSRDIBFY-LLVKDONJSA-N	1	1	220.247	1.264	50	30		BDEAMO
N#Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1F	ZINC000096483864	181085447	/nfs/dbraw/zinc/08/54/47/181085447.db2.gz	CXODXGNSRDIBFY-LLVKDONJSA-N	1	1	220.247	1.264	50	30		BDEAMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](O)C2)cc1	ZINC000020941406	181127446	/nfs/dbraw/zinc/12/74/46/181127446.db2.gz	GFKGYINCKKSGNT-CYBMUJFWSA-N	1	1	246.310	1.394	50	30		BDEAMO
N#Cc1cccnc1N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000047272593	181153579	/nfs/dbraw/zinc/15/35/79/181153579.db2.gz	WVPQGAVZZACZFW-CHWSQXEVSA-N	1	1	242.326	1.992	50	30		BDEAMO
O/N=C1\C2CC[NH+](CC2)[C@@H]1Cc1ccccc1O	ZINC000100467744	384729376	/nfs/dbraw/zinc/72/93/76/384729376.db2.gz	KWQUZXOUFBPJDU-XROPSADXSA-N	1	1	246.310	1.859	50	30		BDEAMO
C#CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000069382796	533109012	/nfs/dbraw/zinc/10/90/12/533109012.db2.gz	YKEAZZYFIPBNGC-UHFFFAOYSA-N	1	1	244.338	1.588	50	30		BDEAMO
C[C@@H](CC#N)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000221673362	385271609	/nfs/dbraw/zinc/27/16/09/385271609.db2.gz	QFBGPRWATJXKON-NWDGAFQWSA-N	1	1	233.319	1.292	50	30		BDEAMO
C[C@@H](CC#N)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000221673362	385271614	/nfs/dbraw/zinc/27/16/14/385271614.db2.gz	QFBGPRWATJXKON-NWDGAFQWSA-N	1	1	233.319	1.292	50	30		BDEAMO
CC(/C=[NH+]/n1cnnc1)=C\c1ccco1	ZINC000004616839	385588940	/nfs/dbraw/zinc/58/89/40/385588940.db2.gz	URTKAHOGXVJFOY-PMHYKQBESA-N	1	1	202.217	1.809	50	30		BDEAMO
C#CC[N@@H+](C)C[C@H]1COc2ccccc2O1	ZINC000072318921	385924155	/nfs/dbraw/zinc/92/41/55/385924155.db2.gz	KGGOMPJCKVFBPO-NSHDSACASA-N	1	1	217.268	1.391	50	30		BDEAMO
C#CC[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000072318921	385924161	/nfs/dbraw/zinc/92/41/61/385924161.db2.gz	KGGOMPJCKVFBPO-NSHDSACASA-N	1	1	217.268	1.391	50	30		BDEAMO
CC(C)[N@@H+](CCC(N)=O)Cc1ccc(C#N)cc1	ZINC000058397238	388382915	/nfs/dbraw/zinc/38/29/15/388382915.db2.gz	PMAARSGYWDEDMB-UHFFFAOYSA-N	1	1	245.326	1.644	50	30		BDEAMO
C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@H](C)O	ZINC000069738372	388425737	/nfs/dbraw/zinc/42/57/37/388425737.db2.gz	DHORMPRNLNSCRW-UWVGGRQHSA-N	1	1	203.713	1.974	50	30		BDEAMO
C=CC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000047857097	132228079	/nfs/dbraw/zinc/22/80/79/132228079.db2.gz	KAQANTAYNDOGKQ-UHFFFAOYSA-N	1	1	228.299	1.261	50	30		BDEAMO
C=CCN1CC[N@H+](C/C(C)=C/C)CCC1=O	ZINC000014984678	166355901	/nfs/dbraw/zinc/35/59/01/166355901.db2.gz	XROSGCGDJZLDTF-LFYBBSHMSA-N	1	1	222.332	1.673	50	30		BDEAMO
C=CC[NH+]1CCN(Cc2cc(C)on2)CC1	ZINC000061801210	166356614	/nfs/dbraw/zinc/35/66/14/166356614.db2.gz	MURWZWRPYNEKKM-UHFFFAOYSA-N	1	1	221.304	1.287	50	30		BDEAMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000052635159	166386602	/nfs/dbraw/zinc/38/66/02/166386602.db2.gz	FOBPUHLBRIKUGJ-QWRGUYRKSA-N	1	1	210.321	1.409	50	30		BDEAMO
C=C(C)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000047979808	411171407	/nfs/dbraw/zinc/17/14/07/411171407.db2.gz	LTQHSXXBOGJJBW-ZDUSSCGKSA-N	1	1	236.359	1.801	50	30		BDEAMO
C#CCC[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000049432281	411238477	/nfs/dbraw/zinc/23/84/77/411238477.db2.gz	NXTLREKVOCSASD-UHFFFAOYSA-N	1	1	240.310	1.099	50	30		BDEAMO
C[N@H+]1CCCN(Cc2cccc(C#N)c2)CC1	ZINC000019362317	173016322	/nfs/dbraw/zinc/01/63/22/173016322.db2.gz	WCQJGGDNUFLTPA-UHFFFAOYSA-N	1	1	229.327	1.696	50	30		BDEAMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cccc(C#N)n1)C2	ZINC000067786440	173206242	/nfs/dbraw/zinc/20/62/42/173206242.db2.gz	FPEYYYCMGRQRPO-QWHCGFSZSA-N	1	1	242.326	1.626	50	30		BDEAMO
COc1ccc(/C=N/N2CC[NH+](C)CC2)cc1	ZINC000004933402	175048926	/nfs/dbraw/zinc/04/89/26/175048926.db2.gz	KFEMZYLXBHGTJJ-SDNWHVSQSA-N	1	1	233.315	1.277	50	30		BDEAMO
C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1	ZINC000034652626	176292111	/nfs/dbraw/zinc/29/21/11/176292111.db2.gz	LGFCCPGKUSXTTG-GFCCVEGCSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1	ZINC000034652626	176292113	/nfs/dbraw/zinc/29/21/13/176292113.db2.gz	LGFCCPGKUSXTTG-GFCCVEGCSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000105927703	177095790	/nfs/dbraw/zinc/09/57/90/177095790.db2.gz	NRNMEMRVIBJUGY-SMDDNHRTSA-N	1	1	249.358	1.527	50	30		BDEAMO
C=C(Cl)C[N@@H+](CCOC)C(C)(C)CO	ZINC000084326229	488045707	/nfs/dbraw/zinc/04/57/07/488045707.db2.gz	HVRHWYZRWGYZIR-UHFFFAOYSA-N	1	1	221.728	1.458	50	30		BDEAMO
C=C(Cl)C[N@H+](CCOC)C(C)(C)CO	ZINC000084326229	488045713	/nfs/dbraw/zinc/04/57/13/488045713.db2.gz	HVRHWYZRWGYZIR-UHFFFAOYSA-N	1	1	221.728	1.458	50	30		BDEAMO
Cc1[nH+]ccn1CC(=O)N1CCC[C@](C)(C#N)C1	ZINC000670455096	487508243	/nfs/dbraw/zinc/50/82/43/487508243.db2.gz	FMPVNYKIURKIDH-CYBMUJFWSA-N	1	1	246.314	1.344	50	30		BDEAMO
CC(=O)O[C@@]1(C#N)[C@H](C)C[N@H+](C)C[C@@H]1C	ZINC000252638886	519757915	/nfs/dbraw/zinc/75/79/15/519757915.db2.gz	YGPHKWXQVSFVPI-JZYVYDRUSA-N	1	1	210.277	1.029	50	30		BDEAMO
CC[C@@H](C)NC(=[NH2+])NCCN1CCCC[C@H]1C	ZINC000241132854	521899178	/nfs/dbraw/zinc/89/91/78/521899178.db2.gz	JMEQWRBUZDSZMA-VXGBXAGGSA-N	1	1	240.395	1.564	50	30		BDEAMO
C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCOC2)C1	ZINC000328598550	524498066	/nfs/dbraw/zinc/49/80/66/524498066.db2.gz	MZEBGXUAZUGNTO-VXGBXAGGSA-N	1	1	240.347	1.711	50	30		BDEAMO
C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)s1	ZINC000130787805	398272451	/nfs/dbraw/zinc/27/24/51/398272451.db2.gz	JRTWQZSRWAQRQH-QMMMGPOBSA-N	1	1	210.302	1.432	50	30		BDEAMO
C=CC[N@@H+](CC(N)=O)Cc1ccccc1	ZINC000045796717	166325770	/nfs/dbraw/zinc/32/57/70/166325770.db2.gz	ODRYSDSURWQILB-UHFFFAOYSA-N	1	1	204.273	1.160	50	30		BDEAMO
C=CC[N@H+](CC(N)=O)Cc1ccccc1	ZINC000045796717	166325773	/nfs/dbraw/zinc/32/57/73/166325773.db2.gz	ODRYSDSURWQILB-UHFFFAOYSA-N	1	1	204.273	1.160	50	30		BDEAMO
C=C(Cl)CN1CC[NH+]([C@@H](C)COC)CC1	ZINC000095432015	187872401	/nfs/dbraw/zinc/87/24/01/187872401.db2.gz	QTMUKVDYIVAJKQ-NSHDSACASA-N	1	1	232.755	1.391	50	30		BDEAMO
C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1	ZINC000060558951	166365905	/nfs/dbraw/zinc/36/59/05/166365905.db2.gz	WHEYSOZDSTURKF-LBPRGKRZSA-N	1	1	232.327	1.982	50	30		BDEAMO
C=CC[C@]1(CO)CCC[N@H+](CCCCO)C1	ZINC000091756274	188581934	/nfs/dbraw/zinc/58/19/34/188581934.db2.gz	IMPXQRXGWMWQMK-ZDUSSCGKSA-N	1	1	227.348	1.410	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000042432809	181145212	/nfs/dbraw/zinc/14/52/12/181145212.db2.gz	AVUCUYWEKLSNMR-CYBMUJFWSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccccc1C[NH+]1CCC(O)CC1	ZINC000016338488	181145329	/nfs/dbraw/zinc/14/53/29/181145329.db2.gz	COPODFLYJNEAKS-UHFFFAOYSA-N	1	1	216.284	1.515	50	30		BDEAMO
C=C1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1	ZINC000618256121	356471277	/nfs/dbraw/zinc/47/12/77/356471277.db2.gz	NRVCVPAWSOTXIA-GFCCVEGCSA-N	1	1	220.316	1.402	50	30		BDEAMO
CC#CC[N@@H+]1CC=C(C[C@@H](C)NC(=O)CC)CC1	ZINC000067967416	384094378	/nfs/dbraw/zinc/09/43/78/384094378.db2.gz	DFVZUVSOMMIDQE-CYBMUJFWSA-N	1	1	248.370	1.947	50	30		BDEAMO
C#CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000106869607	384533344	/nfs/dbraw/zinc/53/33/44/384533344.db2.gz	GCSGXKDBGOAZAG-SNVBAGLBSA-N	1	1	224.304	1.219	50	30		BDEAMO
C#CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000106869607	384533357	/nfs/dbraw/zinc/53/33/57/384533357.db2.gz	GCSGXKDBGOAZAG-SNVBAGLBSA-N	1	1	224.304	1.219	50	30		BDEAMO
CC#CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000071924075	384810021	/nfs/dbraw/zinc/81/00/21/384810021.db2.gz	RLOUTVLTUWRJQE-ZDUSSCGKSA-N	1	1	234.343	1.248	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000072267417	384895437	/nfs/dbraw/zinc/89/54/37/384895437.db2.gz	WABYGVUMEMDYQB-CHWSQXEVSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000072267417	384895445	/nfs/dbraw/zinc/89/54/45/384895445.db2.gz	WABYGVUMEMDYQB-CHWSQXEVSA-N	1	1	226.364	1.340	50	30		BDEAMO
C=C(C)C[N@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000072267417	384895453	/nfs/dbraw/zinc/89/54/53/384895453.db2.gz	WABYGVUMEMDYQB-CHWSQXEVSA-N	1	1	226.364	1.340	50	30		BDEAMO
C[N@@H+](Cc1ccc(C#N)cc1F)C(C)(C)CO	ZINC000096412969	385126569	/nfs/dbraw/zinc/12/65/69/385126569.db2.gz	KNQAUKGFQYUYRK-UHFFFAOYSA-N	1	1	236.290	1.900	50	30		BDEAMO
Cc1oncc1C[NH+]1CCC(C#N)CC1	ZINC000128409501	385483104	/nfs/dbraw/zinc/48/31/04/385483104.db2.gz	HWHUQVBKPRUKAX-UHFFFAOYSA-N	1	1	205.261	1.719	50	30		BDEAMO
N#CCC[C@H](C#N)C[N@H+]1CC[C@@]2(CCOC2)C1	ZINC000107589212	388603847	/nfs/dbraw/zinc/60/38/47/388603847.db2.gz	NSBJLKMBKBJQGB-CHWSQXEVSA-N	1	1	233.315	1.542	50	30		BDEAMO
C[NH+]1CCN(N=Cc2cccc(Cl)c2)CC1	ZINC000254381822	388733287	/nfs/dbraw/zinc/73/32/87/388733287.db2.gz	PFBROYNJDXFSCD-UHFFFAOYSA-N	1	1	237.734	1.921	50	30		BDEAMO
Cc1noc([C@H]([NH2+]CCCC#N)C(C)C)n1	ZINC000095987488	388799072	/nfs/dbraw/zinc/79/90/72/388799072.db2.gz	AZAVCFWHQISHEY-SNVBAGLBSA-N	1	1	222.292	1.969	50	30		BDEAMO
N#CC1CC[NH+](Cc2ccncc2)CC1	ZINC000079840152	135397529	/nfs/dbraw/zinc/39/75/29/135397529.db2.gz	UGZGSIQNIVOCLU-UHFFFAOYSA-N	1	1	201.273	1.817	50	30		BDEAMO
C#CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000016578558	166113656	/nfs/dbraw/zinc/11/36/56/166113656.db2.gz	QBIWSPOTLCNNAA-QWHCGFSZSA-N	1	1	239.359	1.508	50	30		BDEAMO
C#CC[N@H+](CC)C[C@H](O)c1ccc(C)cc1	ZINC000096435746	409984998	/nfs/dbraw/zinc/98/49/98/409984998.db2.gz	LVNWVYPBHDBORS-AWEZNQCLSA-N	1	1	217.312	1.984	50	30		BDEAMO
C=CC[N@@H+]1CCN(Cc2nccn2CC)[C@@H](C)C1	ZINC000069511743	166357085	/nfs/dbraw/zinc/35/70/85/166357085.db2.gz	ZOKDKKKHAXEKNI-ZDUSSCGKSA-N	1	1	248.374	1.595	50	30		BDEAMO
C=CCNC(=O)C[NH2+]C1(c2ccccc2F)CC1	ZINC000097033518	166369638	/nfs/dbraw/zinc/36/96/38/166369638.db2.gz	FUUFZAKALLCESM-UHFFFAOYSA-N	1	1	248.301	1.707	50	30		BDEAMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000032797106	166381925	/nfs/dbraw/zinc/38/19/25/166381925.db2.gz	MFONXAGUAAPKSN-GFCCVEGCSA-N	1	1	244.338	1.735	50	30		BDEAMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1	ZINC000032797106	166381926	/nfs/dbraw/zinc/38/19/26/166381926.db2.gz	MFONXAGUAAPKSN-GFCCVEGCSA-N	1	1	244.338	1.735	50	30		BDEAMO
C[C@H](O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1	ZINC000095993813	177015476	/nfs/dbraw/zinc/01/54/76/177015476.db2.gz	ZYKZEXTWTOMJBH-AAEUAGOBSA-N	1	1	230.311	1.761	50	30		BDEAMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CO)C1	ZINC000084651516	177033552	/nfs/dbraw/zinc/03/35/52/177033552.db2.gz	RDICQQJPNLRXAZ-YPMHNXCESA-N	1	1	230.311	1.933	50	30		BDEAMO
CCC#CC[N@@H+]1CCCN(C(=O)C2CC2)CC1	ZINC000670470043	487526106	/nfs/dbraw/zinc/52/61/06/487526106.db2.gz	XSZGRSCWGSPSGR-UHFFFAOYSA-N	1	1	234.343	1.344	50	30		BDEAMO
CCC#CC[N@H+]1CCCN(C(=O)C2CC2)CC1	ZINC000670470043	487526112	/nfs/dbraw/zinc/52/61/12/487526112.db2.gz	XSZGRSCWGSPSGR-UHFFFAOYSA-N	1	1	234.343	1.344	50	30		BDEAMO
CCNC(NC[C@H](C)N(CC)CC)=[NH+]CC	ZINC000241470644	521731592	/nfs/dbraw/zinc/73/15/92/521731592.db2.gz	NWUXZBRRYZNDBA-NSHDSACASA-N	1	1	228.384	1.292	50	30		BDEAMO
CC[C@H](C)NC(=[NH2+])NCCN1CCCC[C@H]1C	ZINC000241132853	523821415	/nfs/dbraw/zinc/82/14/15/523821415.db2.gz	JMEQWRBUZDSZMA-NWDGAFQWSA-N	1	1	240.395	1.564	50	30		BDEAMO
N#CCCNC(=O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1	ZINC000241173092	526461072	/nfs/dbraw/zinc/46/10/72/526461072.db2.gz	KFZRSLLTURWYME-OLZOCXBDSA-N	1	1	249.358	1.528	50	30		BDEAMO
C[N@@H+](Cc1ccccc1)C1CN(C(=O)CC#N)C1	ZINC000342738540	536479577	/nfs/dbraw/zinc/47/95/77/536479577.db2.gz	JKXWZFFJMDTJLB-UHFFFAOYSA-N	1	1	243.310	1.243	50	30		BDEAMO
C=C(C)C[N@H+](CC)C1CCN(C(C)=O)CC1	ZINC000000277176	587551838	/nfs/dbraw/zinc/55/18/38/587551838.db2.gz	VXAIIDXEZOCZHU-UHFFFAOYSA-N	1	1	224.348	1.895	50	30		BDEAMO
C=CCC(O)(CC=C)CNc1nc(N)cc[nH+]1	ZINC001529161651	990335550	/nfs/dbraw/zinc/33/55/50/990335550.db2.gz	NRULSPYUJBOWQW-UHFFFAOYSA-N	1	1	234.303	1.354	50	30		BDEAMO
CCN(C)c1cc[nH+]c(N2CCC(C#N)CC2)n1	ZINC001529173002	990336167	/nfs/dbraw/zinc/33/61/67/990336167.db2.gz	KQEYBYVANZWXMB-UHFFFAOYSA-N	1	1	245.330	1.673	50	30		BDEAMO
Cc1cc(N2CC[NH+](CCCC#N)CC2)n[nH]1	ZINC000187268481	178116120	/nfs/dbraw/zinc/11/61/20/178116120.db2.gz	WVXAZFMAPHVQGM-UHFFFAOYSA-N	1	1	233.319	1.144	50	30		BDEAMO
C#CC(C)(C)[N@H+]1CCC(=O)[C@H]2CCC[C@H]21	ZINC000216216178	346982832	/nfs/dbraw/zinc/98/28/32/346982832.db2.gz	FZSAALMSLBQPTN-WDEREUQCSA-N	1	1	205.301	1.842	50	30		BDEAMO
C=C1CC[NH+]([C@H](CC)C(=O)OCC)CC1	ZINC000252479913	192370701	/nfs/dbraw/zinc/37/07/01/192370701.db2.gz	BPUGXLMOBPRMAJ-LLVKDONJSA-N	1	1	211.305	1.980	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CO	ZINC000042222034	181144914	/nfs/dbraw/zinc/14/49/14/181144914.db2.gz	HGZKNPKVZCRTHF-CQSZACIVSA-N	1	1	230.311	1.905	50	30		BDEAMO
N#Cc1ccccc1C[N@H+]1CCC[C@@H](O)C1	ZINC000020941329	181145062	/nfs/dbraw/zinc/14/50/62/181145062.db2.gz	DUGBIJCQRKDHGK-CYBMUJFWSA-N	1	1	216.284	1.515	50	30		BDEAMO
N#Cc1ccccc1C[N@@H+]1CCC[C@@H](O)C1	ZINC000020941329	181145064	/nfs/dbraw/zinc/14/50/64/181145064.db2.gz	DUGBIJCQRKDHGK-CYBMUJFWSA-N	1	1	216.284	1.515	50	30		BDEAMO
C#CC[N@@H+](CC(N)=O)[C@@H]1CCc2ccccc21	ZINC000040539388	359340792	/nfs/dbraw/zinc/34/07/92/359340792.db2.gz	XZDYJDZRGLBSLM-CYBMUJFWSA-N	1	1	228.295	1.094	50	30		BDEAMO
C#CC[N@H+](CC(N)=O)[C@@H]1CCc2ccccc21	ZINC000040539388	359340797	/nfs/dbraw/zinc/34/07/97/359340797.db2.gz	XZDYJDZRGLBSLM-CYBMUJFWSA-N	1	1	228.295	1.094	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](CC)Cc1cccc(F)c1	ZINC000040466295	200794434	/nfs/dbraw/zinc/79/44/34/200794434.db2.gz	KJZLZDFAOGXEOG-UHFFFAOYSA-N	1	1	248.301	1.397	50	30		BDEAMO
C#CCNC(=O)C[N@H+](CC)Cc1cccc(F)c1	ZINC000040466295	200794437	/nfs/dbraw/zinc/79/44/37/200794437.db2.gz	KJZLZDFAOGXEOG-UHFFFAOYSA-N	1	1	248.301	1.397	50	30		BDEAMO
N=C1CCC([NH3+])C2=C1C(=O)c1ccccc1C2=O	ZINC000013597418	181338537	/nfs/dbraw/zinc/33/85/37/181338537.db2.gz	SSGALQHXKMAJTL-UHFFFAOYSA-N	1	1	240.262	1.285	50	30	in-vitro	BDEAMO
C=CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC	ZINC000097084412	384701103	/nfs/dbraw/zinc/70/11/03/384701103.db2.gz	OYUOCBIJPCJSRR-BJDJZHNGSA-N	1	1	241.331	1.195	50	30		BDEAMO
C=C(C)C[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1	ZINC000084789307	384766965	/nfs/dbraw/zinc/76/69/65/384766965.db2.gz	RPAGJRVOJHHOIR-CQSZACIVSA-N	1	1	237.391	1.274	50	30		BDEAMO
C=C(C)C[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1	ZINC000084789307	384766969	/nfs/dbraw/zinc/76/69/69/384766969.db2.gz	RPAGJRVOJHHOIR-CQSZACIVSA-N	1	1	237.391	1.274	50	30		BDEAMO
C=CCC(CC=C)C(=O)NC1C[NH+](C(C)C)C1	ZINC000225578354	384875455	/nfs/dbraw/zinc/87/54/55/384875455.db2.gz	JGNHQYXBMZBNRH-UHFFFAOYSA-N	1	1	236.359	1.964	50	30		BDEAMO
C#CCCCCCC[N@@H+]1CC[C@H](C(N)=O)C1	ZINC000583650744	384856486	/nfs/dbraw/zinc/85/64/86/384856486.db2.gz	AEAXTJFICQELNP-LBPRGKRZSA-N	1	1	222.332	1.377	50	30		BDEAMO
C=CCn1cc([C@H]2[NH2+]CCc3nc[nH]c32)c(C)n1	ZINC000067692148	385193241	/nfs/dbraw/zinc/19/32/41/385193241.db2.gz	BTPFARGOYCFUDR-GFCCVEGCSA-N	1	1	243.314	1.336	50	30		BDEAMO
C=CCOC(=O)[C@@H]([NH3+])CCC(=O)OC(C)(C)C	ZINC000038202240	385610047	/nfs/dbraw/zinc/61/00/47/385610047.db2.gz	NXCBQSGSQJTRJK-VIFPVBQESA-N	1	1	243.303	1.165	50	30		BDEAMO
C[N@H+](CC#C[C@]1(C)CCCC(C)(C)O1)CCO	ZINC000006668851	387596969	/nfs/dbraw/zinc/59/69/69/387596969.db2.gz	UODPBRNHUPVTLY-AWEZNQCLSA-N	1	1	239.359	1.652	50	30		BDEAMO
CCOc1ccc(C=NN2CC[NH+](C)CC2)cc1	ZINC000606347376	388389646	/nfs/dbraw/zinc/38/96/46/388389646.db2.gz	UVHUDJUOTJRGPD-UHFFFAOYSA-N	1	1	247.342	1.667	50	30		BDEAMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CO)C1	ZINC000245436756	388417546	/nfs/dbraw/zinc/41/75/46/388417546.db2.gz	RDICQQJPNLRXAZ-DGCLKSJQSA-N	1	1	230.311	1.933	50	30		BDEAMO
CC(C)C[C@@H](CNC(=[NH2+])NC(C)C)N(C)C	ZINC000069569132	388420834	/nfs/dbraw/zinc/42/08/34/388420834.db2.gz	XYDWQBUCAVKRGE-NSHDSACASA-N	1	1	228.384	1.275	50	30		BDEAMO
CC[C@H]1CN(CCCC#N)CC[N@H+]1CCOC	ZINC000069840561	388427166	/nfs/dbraw/zinc/42/71/66/388427166.db2.gz	KWCJJGFBTLNBDE-ZDUSSCGKSA-N	1	1	239.363	1.333	50	30		BDEAMO
C#CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000035052913	166113947	/nfs/dbraw/zinc/11/39/47/166113947.db2.gz	QBIWSPOTLCNNAA-STQMWFEESA-N	1	1	239.359	1.508	50	30		BDEAMO
C#CC[NH2+][C@H](CO)c1ccc(Cl)c(F)c1	ZINC000097238453	166192529	/nfs/dbraw/zinc/19/25/29/166192529.db2.gz	RSTOLCGQAJHBBF-LLVKDONJSA-N	1	1	227.666	1.735	50	30		BDEAMO
C=CC[NH+]1CCN(Cc2nccn2CC)CC1	ZINC000069432928	166355474	/nfs/dbraw/zinc/35/54/74/166355474.db2.gz	TVHWAPWEFDUGGO-UHFFFAOYSA-N	1	1	234.347	1.207	50	30		BDEAMO
CCOC(=O)[C@]1(C)O[C@]12C[C@@H](C)[N@@H+](C)C[C@@H]2C	ZINC000013786513	170285575	/nfs/dbraw/zinc/28/55/75/170285575.db2.gz	NUSPFIPXZQKSOH-LFSVMHDDSA-N	1	1	241.331	1.437	50	30		BDEAMO
C[C@@H]1c2cc(/C=N/CCO)[nH]c2[C@@H](C)C[N@H+]1C	ZINC000005358515	177240814	/nfs/dbraw/zinc/24/08/14/177240814.db2.gz	VANJHXWVRNXXCT-GCLRIOKPSA-N	1	1	235.331	1.536	50	30		BDEAMO
C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1	ZINC000108460657	487829519	/nfs/dbraw/zinc/82/95/19/487829519.db2.gz	VMDBIQVSEBIATQ-XQQFMLRXSA-N	1	1	235.331	1.523	50	30		BDEAMO
C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1	ZINC000108460657	487829525	/nfs/dbraw/zinc/82/95/25/487829525.db2.gz	VMDBIQVSEBIATQ-XQQFMLRXSA-N	1	1	235.331	1.523	50	30		BDEAMO
C=C(C)C[N@@H+]1CCN(CCOCC)[C@H](C)C1	ZINC000241720938	518605271	/nfs/dbraw/zinc/60/52/71/518605271.db2.gz	QTNLHYZHNUOLEC-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)CN1CC[N@@H+](CCOCC)[C@H](C)C1	ZINC000241720938	518605277	/nfs/dbraw/zinc/60/52/77/518605277.db2.gz	QTNLHYZHNUOLEC-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C(C)CN1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000241720938	518605280	/nfs/dbraw/zinc/60/52/80/518605280.db2.gz	QTNLHYZHNUOLEC-CYBMUJFWSA-N	1	1	226.364	1.605	50	30		BDEAMO
C=C1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1	ZINC000952878359	974054662	/nfs/dbraw/zinc/05/46/62/974054662.db2.gz	CQUWLUUQWAESND-LLVKDONJSA-N	1	1	249.314	1.464	50	30		BDEAMO
C=CCn1cc(C[N@H+](C)CC(C)(C)CO)cn1	ZINC001506404063	988771423	/nfs/dbraw/zinc/77/14/23/988771423.db2.gz	VBIKXOGGELPWIQ-UHFFFAOYSA-N	1	1	237.347	1.519	50	30		BDEAMO
C[N@@H+](CCc1cnccn1)[C@@H]1CC[C@@H](C#N)C1	ZINC000293710239	136289586	/nfs/dbraw/zinc/28/95/86/136289586.db2.gz	DSAFNPKOMSFBDT-DGCLKSJQSA-N	1	1	230.315	1.643	50	30		BDEAMO
C#CC[N@H+](Cc1ccc(C#N)o1)CC1CC1	ZINC000092099465	490273715	/nfs/dbraw/zinc/27/37/15/490273715.db2.gz	QCKUULYRQABVFE-UHFFFAOYSA-N	1	1	214.268	1.996	50	30		BDEAMO
C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(N)=O)cc1	ZINC000006979056	191125003	/nfs/dbraw/zinc/12/50/03/191125003.db2.gz	HBQNLNQGYRUQFI-NSHDSACASA-N	1	1	248.326	1.557	50	30		BDEAMO
C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(N)=O)cc1	ZINC000006979056	191125006	/nfs/dbraw/zinc/12/50/06/191125006.db2.gz	HBQNLNQGYRUQFI-NSHDSACASA-N	1	1	248.326	1.557	50	30		BDEAMO
Cn1c[nH+]cc1CCNc1ccc(C#N)cn1	ZINC000096011386	188544287	/nfs/dbraw/zinc/54/42/87/188544287.db2.gz	ZPEQZKIARDSQQI-UHFFFAOYSA-N	1	1	227.271	1.341	50	30		BDEAMO
N#Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1	ZINC000019470348	181119102	/nfs/dbraw/zinc/11/91/02/181119102.db2.gz	ICWMWMHJRCJRDK-JTQLQIEISA-N	1	1	233.296	1.159	50	30		BDEAMO
C#CCNC(=O)C[N@H+](Cc1cccs1)C1CC1	ZINC000027108430	384889721	/nfs/dbraw/zinc/88/97/21/384889721.db2.gz	CSXGQCPYCCZJCT-UHFFFAOYSA-N	1	1	248.351	1.462	50	30		BDEAMO
C#CCNC(=O)C[N@@H+](Cc1cccs1)C1CC1	ZINC000027108430	384889726	/nfs/dbraw/zinc/88/97/26/384889726.db2.gz	CSXGQCPYCCZJCT-UHFFFAOYSA-N	1	1	248.351	1.462	50	30		BDEAMO
CC[C@H]1CCCC[N@H+]1CC(=O)NCCC#N	ZINC000058368201	385000111	/nfs/dbraw/zinc/00/01/11/385000111.db2.gz	GWOLBJMACWDUAP-NSHDSACASA-N	1	1	223.320	1.281	50	30		BDEAMO
CC#CC[NH2+][C@@H](COC)c1ccc(C)o1	ZINC000159673194	385709739	/nfs/dbraw/zinc/70/97/39/385709739.db2.gz	RLTSUHFGGUIEOQ-NSHDSACASA-N	1	1	207.273	1.888	50	30		BDEAMO
CC#CC[NH2+][C@H](COC)c1ccc(C)o1	ZINC000159673353	385711612	/nfs/dbraw/zinc/71/16/12/385711612.db2.gz	RLTSUHFGGUIEOQ-LLVKDONJSA-N	1	1	207.273	1.888	50	30		BDEAMO
C=CC[C@]1(CO)CCC[N@H+](CCCOC)C1	ZINC000091645497	386302652	/nfs/dbraw/zinc/30/26/52/386302652.db2.gz	MOAFODMDARJARL-ZDUSSCGKSA-N	1	1	227.348	1.674	50	30		BDEAMO
C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000036397116	387795927	/nfs/dbraw/zinc/79/59/27/387795927.db2.gz	BLRPUGUDOHGOQG-GFCCVEGCSA-N	1	1	248.351	1.634	50	30		BDEAMO
C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000036397116	387795931	/nfs/dbraw/zinc/79/59/31/387795931.db2.gz	BLRPUGUDOHGOQG-GFCCVEGCSA-N	1	1	248.351	1.634	50	30		BDEAMO
N#C[C@H]1CC[C@@H]([N@@H+]2CCNC(=O)CC2)C1	ZINC000328706518	388739676	/nfs/dbraw/zinc/73/96/76/388739676.db2.gz	AJTIFKBHVTZXHN-VHSXEESVSA-N	1	1	207.277	1.341	50	30		BDEAMO
COC[C@@H]1C[N@H+](CCCC#N)C[C@H](C)O1	ZINC000225488622	388718139	/nfs/dbraw/zinc/71/81/39/388718139.db2.gz	GYKFUKQHHFTXJL-QWRGUYRKSA-N	1	1	212.293	1.026	50	30		BDEAMO
COC[C@@H]1C[N@@H+](CCCC#N)C[C@H](C)O1	ZINC000225488622	388718142	/nfs/dbraw/zinc/71/81/42/388718142.db2.gz	GYKFUKQHHFTXJL-QWRGUYRKSA-N	1	1	212.293	1.026	50	30		BDEAMO
C=CCSCC(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000067855619	398023441	/nfs/dbraw/zinc/02/34/41/398023441.db2.gz	NHXWTZBSCXAMNN-NSHDSACASA-N	1	1	242.388	1.364	50	30		BDEAMO
C#CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C	ZINC000035052907	166113117	/nfs/dbraw/zinc/11/31/17/166113117.db2.gz	PPWHBFZZVWTMPM-OLZOCXBDSA-N	1	1	239.359	1.650	50	30		BDEAMO
C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000065577228	166272501	/nfs/dbraw/zinc/27/25/01/166272501.db2.gz	DPWFORJAYWJHCM-NWDGAFQWSA-N	1	1	240.347	1.036	50	30		BDEAMO
C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCCC#N	ZINC000044889332	176020862	/nfs/dbraw/zinc/02/08/62/176020862.db2.gz	LDRVLAQQRQDKRJ-LBPRGKRZSA-N	1	1	245.326	1.709	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(F)cc1C#N	ZINC000071889224	176266897	/nfs/dbraw/zinc/26/68/97/176266897.db2.gz	QJZWBBPIXZJFGR-LLVKDONJSA-N	1	1	247.317	1.833	50	30		BDEAMO
C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C#N	ZINC000089939297	176268077	/nfs/dbraw/zinc/26/80/77/176268077.db2.gz	AVHUAKHCRTVRLT-GFCCVEGCSA-N	1	1	229.327	1.694	50	30		BDEAMO
C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1	ZINC000034652628	177252562	/nfs/dbraw/zinc/25/25/62/177252562.db2.gz	LGFCCPGKUSXTTG-LBPRGKRZSA-N	1	1	246.310	1.658	50	30		BDEAMO
C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1	ZINC000034652628	177252563	/nfs/dbraw/zinc/25/25/63/177252563.db2.gz	LGFCCPGKUSXTTG-LBPRGKRZSA-N	1	1	246.310	1.658	50	30		BDEAMO
CCOC(=O)[C@]1(C)O[C@]12C[C@H](C)[N@@H+](C)C[C@H]2C	ZINC000245311351	521354099	/nfs/dbraw/zinc/35/40/99/521354099.db2.gz	NUSPFIPXZQKSOH-URBCHYCLSA-N	1	1	241.331	1.437	50	30		BDEAMO
Oc1ccccc1/C=N/CCC[NH+]1CCOCC1	ZINC000003158430	632667644	/nfs/dbraw/zinc/66/76/44/632667644.db2.gz	MBZHORGUJVHIJX-NTCAYCPXSA-N	1	1	248.326	1.533	50	30		BDEAMO
C[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCC1	ZINC000021334598	538934170	/nfs/dbraw/zinc/93/41/70/538934170.db2.gz	WSAPFHVLVJYOAF-LBPRGKRZSA-N	1	1	249.358	1.813	50	30		BDEAMO
C=C(Cl)C[NH+]1CCC(CC(N)=O)CC1	ZINC000048025687	342753831	/nfs/dbraw/zinc/75/38/31/342753831.db2.gz	LQGKMNCVNWMNNF-UHFFFAOYSA-N	1	1	216.712	1.326	50	30		BDEAMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(F)c1	ZINC000029597217	181103440	/nfs/dbraw/zinc/10/34/40/181103440.db2.gz	DQYIHXBVHKZBDC-GFCCVEGCSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(F)c1	ZINC000029597217	181103442	/nfs/dbraw/zinc/10/34/42/181103442.db2.gz	DQYIHXBVHKZBDC-GFCCVEGCSA-N	1	1	234.274	1.654	50	30		BDEAMO
N#Cc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1	ZINC000044527871	181103879	/nfs/dbraw/zinc/10/38/79/181103879.db2.gz	UGQRVJNTWRSBII-CQSZACIVSA-N	1	1	229.327	1.729	50	30		BDEAMO
N#Cc1cccnc1N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000222685060	181154092	/nfs/dbraw/zinc/15/40/92/181154092.db2.gz	WVPQGAVZZACZFW-STQMWFEESA-N	1	1	242.326	1.992	50	30		BDEAMO
O=C(Cc1ccon1)NCC[N@@H+]1CC=CCC1	ZINC000330045514	356163868	/nfs/dbraw/zinc/16/38/68/356163868.db2.gz	DJLXOHCIOUYNSM-UHFFFAOYSA-N	1	1	235.287	1.436	50	30		BDEAMO
CC(C)(C)C(=O)ONC(=[NH2+])c1ccccc1	ZINC000018172967	369583498	/nfs/dbraw/zinc/58/34/98/369583498.db2.gz	WXWBGAZTDXFMRL-UHFFFAOYSA-N	1	1	220.272	1.896	50	30		BDEAMO
CC[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000003313106	371952806	/nfs/dbraw/zinc/95/28/06/371952806.db2.gz	AYOOZWQEUKHDMP-UHFFFAOYSA-N	1	1	243.310	1.336	50	30		BDEAMO
C=C(C)C[N@H+](CC)[C@@H]1CCN(C(C)C)C1=O	ZINC000095442096	384003699	/nfs/dbraw/zinc/00/36/99/384003699.db2.gz	LEOGQOZRQUTFBB-GFCCVEGCSA-N	1	1	224.348	1.894	50	30		BDEAMO
C#CC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000084638446	384763755	/nfs/dbraw/zinc/76/37/55/384763755.db2.gz	HRTHEUYJHOPYHW-JTQLQIEISA-N	1	1	226.320	1.465	50	30		BDEAMO
CCCCC12CN3CC(C[N@@H+](C1)CC3)/C2=N\O	ZINC000022945547	384780390	/nfs/dbraw/zinc/78/03/90/384780390.db2.gz	PIHHORLYXRGOLW-WYMLVPIESA-N	1	1	237.347	1.254	50	30		BDEAMO
C[C@@H](CC#N)[NH+]1CCC(Cn2ccnn2)CC1	ZINC000096483871	385220155	/nfs/dbraw/zinc/22/01/55/385220155.db2.gz	CZRZYLZSMHTKGP-NSHDSACASA-N	1	1	233.319	1.292	50	30		BDEAMO
C#CCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000095762398	387228936	/nfs/dbraw/zinc/22/89/36/387228936.db2.gz	NDBBLLCYPXUQNU-UHFFFAOYSA-N	1	1	238.331	1.562	50	30		BDEAMO
COc1cccc(C=NN2CC[NH+](C)CC2)c1	ZINC000254757819	388359280	/nfs/dbraw/zinc/35/92/80/388359280.db2.gz	FQTLWCOBUPFDSK-UHFFFAOYSA-N	1	1	233.315	1.277	50	30		BDEAMO
C#CC[N@H+](C)[C@H](CC(N)=O)c1ccccc1	ZINC000280335296	388781013	/nfs/dbraw/zinc/78/10/13/388781013.db2.gz	HYROYAHXRIVTIC-GFCCVEGCSA-N	1	1	216.284	1.168	50	30		BDEAMO
COCC[NH+]1CCN(c2ccccc2C#N)CC1	ZINC000069658846	132390956	/nfs/dbraw/zinc/39/09/56/132390956.db2.gz	RKWASVRTVPASFR-UHFFFAOYSA-N	1	1	245.326	1.327	50	30		BDEAMO
CC(=O)OC1(C#N)[C@H](C)C[N@H+](C)C[C@@H]1C	ZINC000025843684	397986620	/nfs/dbraw/zinc/98/66/20/397986620.db2.gz	YGPHKWXQVSFVPI-SLHIUPAKSA-N	1	1	210.277	1.029	50	30		BDEAMO
C#CC(C)(C)OC[C@H](O)C[N@@H+]1CCCC[C@H]1C	ZINC000016577701	166113887	/nfs/dbraw/zinc/11/38/87/166113887.db2.gz	PPWHBFZZVWTMPM-CHWSQXEVSA-N	1	1	239.359	1.650	50	30		BDEAMO
C#CC[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1	ZINC000097238428	166192720	/nfs/dbraw/zinc/19/27/20/166192720.db2.gz	JPDRSYRTCNYJNI-SNVBAGLBSA-N	1	1	229.201	1.360	50	30		BDEAMO
C[N@H+]1CCCN(c2cc(C#N)ccn2)CC1	ZINC000020246537	173017969	/nfs/dbraw/zinc/01/79/69/173017969.db2.gz	YUGGNRZDENOCAF-UHFFFAOYSA-N	1	1	216.288	1.095	50	30		BDEAMO
C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1	ZINC000328588833	518728065	/nfs/dbraw/zinc/72/80/65/518728065.db2.gz	RFQHJDSIHSMIEA-XBFCOCLRSA-N	1	1	239.359	1.813	50	30		BDEAMO
C[C@H]1CC[N@H+]1Cc1cc(C#CCO)cs1	ZINC000706826713	712156757	/nfs/dbraw/zinc/15/67/57/712156757.db2.gz	ZISICVGOAZJUKA-JTQLQIEISA-N	1	1	221.325	1.686	50	30		BDEAMO
C=C(C)C[NH+]1CCN(c2noc(C3CC3)n2)CC1	ZINC001506408494	988779239	/nfs/dbraw/zinc/77/92/39/988779239.db2.gz	SUPMDFZWANAQNF-UHFFFAOYSA-N	1	1	248.330	1.645	50	30		BDEAMO
C=CCOc1ccc(C[C@@H]([NH3+])C(=O)OC)cc1	ZINC000034361924	191042557	/nfs/dbraw/zinc/04/25/57/191042557.db2.gz	JZATVIJICRYKPA-GFCCVEGCSA-N	1	1	235.283	1.294	50	30		BDEAMO
C#CC[N@H+](CCCOC)Cc1cccc(C)n1	ZINC000076089914	362969475	/nfs/dbraw/zinc/96/94/75/362969475.db2.gz	KYARRMFHUATFLM-UHFFFAOYSA-N	1	1	232.327	1.862	50	30		BDEAMO
CCCC[N@@H+](C)CCNc1nccnc1C#N	ZINC000072281158	168773481	/nfs/dbraw/zinc/77/34/81/168773481.db2.gz	SHRICBJMLWGIFR-UHFFFAOYSA-N	1	1	233.319	1.492	50	30		BDEAMO
NC(=[NH2+])Nc1nc(-c2ccc(N)cc2)cs1	ZINC000027628454	181323040	/nfs/dbraw/zinc/32/30/40/181323040.db2.gz	DNOBLWACXFIIRX-UHFFFAOYSA-N	1	1	233.300	1.297	50	30		BDEAMO
CCN(CC)CC(S)C[NH+](CC)CC	ZINC000002272432	368287951	/nfs/dbraw/zinc/28/79/51/368287951.db2.gz	ZIVGQPYDNKWLCZ-UHFFFAOYSA-N	1	1	218.410	1.968	50	30		BDEAMO
CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000029229050	371736479	/nfs/dbraw/zinc/73/64/79/371736479.db2.gz	VBHBJIBDURXJRY-UHFFFAOYSA-N	1	1	246.314	1.566	50	30		BDEAMO
CCCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1	ZINC000015295040	169219872	/nfs/dbraw/zinc/21/98/72/169219872.db2.gz	UTXRTMULRXZIKG-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
CCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000015295040	169219874	/nfs/dbraw/zinc/21/98/74/169219874.db2.gz	UTXRTMULRXZIKG-UHFFFAOYSA-N	1	1	245.326	1.516	50	30		BDEAMO
CCN(CC)C(=O)C[N@H+](C)CCC(C)(C)C#N	ZINC000071922035	384186799	/nfs/dbraw/zinc/18/67/99/384186799.db2.gz	JWMCARLSQQRSCU-UHFFFAOYSA-N	1	1	239.363	1.726	50	30		BDEAMO
CCN(CC)C(=O)C[N@@H+](C)CCC(C)(C)C#N	ZINC000071922035	384186803	/nfs/dbraw/zinc/18/68/03/384186803.db2.gz	JWMCARLSQQRSCU-UHFFFAOYSA-N	1	1	239.363	1.726	50	30		BDEAMO
CCCCC12CN3CC(C[N@@H+](C1)CC3)/C2=N/O	ZINC000100822914	384656732	/nfs/dbraw/zinc/65/67/32/384656732.db2.gz	PIHHORLYXRGOLW-OWBHPGMISA-N	1	1	237.347	1.254	50	30		BDEAMO
O/N=C1\C2CC[NH+](CC2)[C@H]1Cc1ccccc1O	ZINC000100467747	384731138	/nfs/dbraw/zinc/73/11/38/384731138.db2.gz	KWQUZXOUFBPJDU-TZFAWSOVSA-N	1	1	246.310	1.859	50	30		BDEAMO
C#CC[NH+]1CCN(c2cccc(OC)c2)CC1	ZINC000041634917	533157709	/nfs/dbraw/zinc/15/77/09/533157709.db2.gz	KVSVBWUZNCLELO-UHFFFAOYSA-N	1	1	230.311	1.450	50	30		BDEAMO
C=C(C)CC[N@@H+]1CCO[C@H](CC(=O)OC)C1	ZINC000160205555	386591065	/nfs/dbraw/zinc/59/10/65/386591065.db2.gz	TXLXVFWZAXIMOE-LLVKDONJSA-N	1	1	227.304	1.217	50	30		BDEAMO
C=C(C)CC[N@H+]1CCO[C@H](CC(=O)OC)C1	ZINC000160205555	386591072	/nfs/dbraw/zinc/59/10/72/386591072.db2.gz	TXLXVFWZAXIMOE-LLVKDONJSA-N	1	1	227.304	1.217	50	30		BDEAMO
C=C(C)C[N@@H+](CCC(=O)OC)C[C@H]1CCCO1	ZINC000071908324	387124809	/nfs/dbraw/zinc/12/48/09/387124809.db2.gz	AWJHXLNBSVVHGA-GFCCVEGCSA-N	1	1	241.331	1.607	50	30		BDEAMO
CSc1ccc(C=NN2CC[NH+](C)CC2)cc1	ZINC000606347389	388389360	/nfs/dbraw/zinc/38/93/60/388389360.db2.gz	ZNNPMUNFFJLNMA-UHFFFAOYSA-N	1	1	249.383	1.990	50	30		BDEAMO
C=CCCC[N@@H+]1CCSC[C@H]1CC(=O)OC	ZINC000089400776	166234757	/nfs/dbraw/zinc/23/47/57/166234757.db2.gz	AAVYJQNHWPDFAY-LLVKDONJSA-N	1	1	243.372	1.933	50	30		BDEAMO
C=CC[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000044871189	166321593	/nfs/dbraw/zinc/32/15/93/166321593.db2.gz	NKZWUXOLTUCZIR-NSHDSACASA-N	1	1	219.284	1.944	50	30		BDEAMO
C=CC[N@@H+]1CCCC[C@H]1Cn1nc(C)nc1C	ZINC000069600848	166355440	/nfs/dbraw/zinc/35/54/40/166355440.db2.gz	NMVVNCCYWRKHBI-ZDUSSCGKSA-N	1	1	234.347	1.935	50	30		BDEAMO
C=CCN1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000069840457	166355447	/nfs/dbraw/zinc/35/54/47/166355447.db2.gz	SEFIOYYEWBCVGS-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CC[N@H+]1CCN(CCOCC)[C@@H](C)C1	ZINC000069840457	166355449	/nfs/dbraw/zinc/35/54/49/166355449.db2.gz	SEFIOYYEWBCVGS-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CC[N@@H+]1CCN(CCOCC)[C@@H](C)C1	ZINC000069840457	166355451	/nfs/dbraw/zinc/35/54/51/166355451.db2.gz	SEFIOYYEWBCVGS-LBPRGKRZSA-N	1	1	212.337	1.215	50	30		BDEAMO
C=CCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000176484303	166380419	/nfs/dbraw/zinc/38/04/19/166380419.db2.gz	ZTMWNHDPAUPDKF-NXEZZACHSA-N	1	1	223.320	1.097	50	30		BDEAMO
C=CCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000176484318	166380753	/nfs/dbraw/zinc/38/07/53/166380753.db2.gz	ZTMWNHDPAUPDKF-VHSXEESVSA-N	1	1	223.320	1.097	50	30		BDEAMO
CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](C)C#N)C1	ZINC000036667821	170280155	/nfs/dbraw/zinc/28/01/55/170280155.db2.gz	LAXJEOLWXZNHGL-QWRGUYRKSA-N	1	1	224.304	1.421	50	30		BDEAMO
CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)C#N)C1	ZINC000036667821	170280156	/nfs/dbraw/zinc/28/01/56/170280156.db2.gz	LAXJEOLWXZNHGL-QWRGUYRKSA-N	1	1	224.304	1.421	50	30		BDEAMO
C[N@H+]1CCC[C@@H](OC(=O)c2ccc(C#N)cc2)C1	ZINC000003258325	173023114	/nfs/dbraw/zinc/02/31/14/173023114.db2.gz	UBTMNZQLYVCKMU-CYBMUJFWSA-N	1	1	244.294	1.809	50	30		BDEAMO
C[N@H+]1CC[C@@H]2CCN(c3cc(C#N)ccn3)[C@@H]2C1	ZINC000284892010	173133774	/nfs/dbraw/zinc/13/37/74/173133774.db2.gz	HCNXPJZQDPHACW-CHWSQXEVSA-N	1	1	242.326	1.484	50	30		BDEAMO
C#CCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1	ZINC000685939553	583207622	/nfs/dbraw/zinc/20/76/22/583207622.db2.gz	UHRQCQCYMXKZGT-WDNDVIMCSA-N	1	1	246.354	1.200	50	30		BDEAMO
C[NH+]1CCN(N=Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000002742768	645916272	/nfs/dbraw/zinc/91/62/72/645916272.db2.gz	LLROWFZFGCZOFA-UHFFFAOYSA-N	1	1	248.286	1.176	50	30		BDEAMO