smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@]12C[N@H+](C)[C@H]3[C@@H]4CO[C@@H](C[C@@H]41)[C@]1(c4ccccc4NC1=O)[C@H]32	ZINC000008575889	354014742	/nfs/dbraw/zinc/01/47/42/354014742.db2.gz	NFYYATWFXNPTRM-RVAGMTOBSA-N	1	1	322.408	2.028	40	30		DEEBMO
CCN(C)c1ncnc2c1CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096255800	402075670	/nfs/dbraw/zinc/07/56/70/402075670.db2.gz	LPDOEGONUXOIJF-UHFFFAOYSA-N	1	1	321.428	2.405	40	30		DEEBMO
C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2	ZINC000096214799	402070429	/nfs/dbraw/zinc/07/04/29/402070429.db2.gz	DNGAEBYMUMXAPF-KRWDZBQOSA-N	1	1	320.458	2.492	40	30		DEEBMO
N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]23)c1	ZINC000096218971	402071504	/nfs/dbraw/zinc/07/15/04/402071504.db2.gz	HLFUUOGXJHACOP-ATZDWAIDSA-N	1	1	323.396	2.412	40	30		DEEBMO
C#CCOc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1OC	ZINC000019575098	182131192	/nfs/dbraw/zinc/13/11/92/182131192.db2.gz	HVVRVTPSJPCGEC-NVXWUHKLSA-N	1	1	314.429	2.376	40	30		DEEBMO
C=CC[N@@H+](C)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)Nc2ccccc2)O1	ZINC000030878969	401866558	/nfs/dbraw/zinc/86/65/58/401866558.db2.gz	OZCVUCLUIBWZMN-ULQDDVLXSA-N	1	1	318.417	2.042	40	30	biogenic,in-vitro	DEEBMO
Cn1cc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccc(C#N)c2)cn1	ZINC000096184598	402065566	/nfs/dbraw/zinc/06/55/66/402065566.db2.gz	WLGQWIGRHVELPU-MOPGFXCFSA-N	1	1	321.428	2.141	40	30		DEEBMO
Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C#N)c2)cn1	ZINC000096184598	402065567	/nfs/dbraw/zinc/06/55/67/402065567.db2.gz	WLGQWIGRHVELPU-MOPGFXCFSA-N	1	1	321.428	2.141	40	30		DEEBMO
Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C#N)c2)cn1	ZINC000096184598	402065568	/nfs/dbraw/zinc/06/55/68/402065568.db2.gz	WLGQWIGRHVELPU-MOPGFXCFSA-N	1	1	321.428	2.141	40	30		DEEBMO
Cn1cc[nH+]c1N1CCC(NC(=O)CCc2cscn2)CC1	ZINC000328783119	534792501	/nfs/dbraw/zinc/79/25/01/534792501.db2.gz	VGDOEUDWSPJZKR-UHFFFAOYSA-N	1	1	319.434	2.435	40	30		DEEBMO
C=CC[NH+]1CCN([C@@H](CCC)c2nnnn2C2CCCC2)CC1	ZINC000019501867	182125913	/nfs/dbraw/zinc/12/59/13/182125913.db2.gz	OGNIXYDXQZDQIZ-INIZCTEOSA-N	1	1	318.469	2.433	40	30		DEEBMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000036023195	401901269	/nfs/dbraw/zinc/90/12/69/401901269.db2.gz	VHNWBUCAXBKHCL-ZOBUZTSGSA-N	1	1	305.418	2.264	40	30		DEEBMO
N#Cc1ccc(OC[C@@H]2Cn3cncc3C[N@@H+](CC3CC3)C2)nc1	ZINC000096209167	402070561	/nfs/dbraw/zinc/07/05/61/402070561.db2.gz	RLLNHWCOVGLYMV-INIZCTEOSA-N	1	1	323.400	2.071	40	30		DEEBMO
CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000330405842	404651008	/nfs/dbraw/zinc/65/10/08/404651008.db2.gz	WKMYBVNTPPKDOS-INIZCTEOSA-N	1	1	307.438	2.078	40	30		DEEBMO
O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCOCC2)=N\O)cc1	ZINC000005766220	401730896	/nfs/dbraw/zinc/73/08/96/401730896.db2.gz	NIKBMIRIFUMZFU-CORCZCPVSA-N	1	1	305.334	2.161	40	30		DEEBMO
C=CCN1C[C@@H]2C[N@@H+](CC3CC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055986	402052438	/nfs/dbraw/zinc/05/24/38/402052438.db2.gz	ZIPPSQFAIVUBMG-WMZOPIPTSA-N	1	1	306.450	2.160	40	30		DEEBMO
C=CCO[C@@H]1C[C@H]2CN(Cc3ccc(OC)cc3)CC[N@H+]2C1	ZINC000107746613	402239597	/nfs/dbraw/zinc/23/95/97/402239597.db2.gz	QHPFONJOGNFYON-FUHWJXTLSA-N	1	1	302.418	2.156	40	30		DEEBMO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc(F)c1	ZINC000008300025	539328007	/nfs/dbraw/zinc/32/80/07/539328007.db2.gz	CPJJQOZSJWQQOG-KCQAQPDRSA-N	1	1	324.421	2.000	40	30	biogenic,in-vitro	DEEBMO
CC(C)[N@@H+]1CCO[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074682	/nfs/dbraw/zinc/07/46/82/402074682.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	1	1	313.445	2.489	40	30		DEEBMO
CC(C)[N@H+]1CCO[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074683	/nfs/dbraw/zinc/07/46/83/402074683.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	1	1	313.445	2.489	40	30		DEEBMO
N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)c1	ZINC000096184804	402065085	/nfs/dbraw/zinc/06/50/85/402065085.db2.gz	XQKSLYCJCSEQCJ-SJORKVTESA-N	1	1	305.385	2.201	40	30		DEEBMO
C=CCN1CCN(C(=O)c2ccncc2)Cc2ccc(C)[nH+]c21	ZINC000096199057	402068316	/nfs/dbraw/zinc/06/83/16/402068316.db2.gz	BDZAIFFGXYICJB-UHFFFAOYSA-N	1	1	308.385	2.433	40	30		DEEBMO
N#Cc1ccc(O[C@@H]2Cn3cccc3C[N@@H+](CC3CC3)C2)nc1	ZINC000247712037	402575132	/nfs/dbraw/zinc/57/51/32/402575132.db2.gz	KIWLLJGAMYUFKR-KRWDZBQOSA-N	1	1	308.385	2.428	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)n1	ZINC000096047657	402050614	/nfs/dbraw/zinc/05/06/14/402050614.db2.gz	JXBJOFBJROCECP-FUHWJXTLSA-N	1	1	324.384	2.392	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)n1	ZINC000096048327	402050824	/nfs/dbraw/zinc/05/08/24/402050824.db2.gz	UIPBQCKBNYAUGN-WMZOPIPTSA-N	1	1	312.417	2.399	40	30		DEEBMO
CCN/C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)=[NH+]\CC	ZINC000255187197	528828739	/nfs/dbraw/zinc/82/87/39/528828739.db2.gz	BVTUTYHLVVJPCR-UHFFFAOYSA-N	1	1	324.233	2.257	40	30		DEEBMO
COCC[N@H+]1CCCC[C@]12CC(=O)N(c1cccc(C#N)c1)C2	ZINC000096217288	402071167	/nfs/dbraw/zinc/07/11/67/402071167.db2.gz	FFDOLUJJLJAUJQ-GOSISDBHSA-N	1	1	313.401	2.166	40	30		DEEBMO
CC#C[C@](O)(C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1	ZINC000005601249	181262473	/nfs/dbraw/zinc/26/24/73/181262473.db2.gz	HGUNQPJVAVUBKB-IXEWLPCDSA-N	1	1	305.418	2.099	40	30		DEEBMO
CN(C)C(=O)NC1CC2(C1)CC[N@@H+](Cc1cccc(C#N)c1)C2	ZINC000108530828	402256662	/nfs/dbraw/zinc/25/66/62/402256662.db2.gz	YBFPFHUATRVROE-UHFFFAOYSA-N	1	1	312.417	2.184	40	30		DEEBMO
COc1ccccc1N1CC[NH+]([C@@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC1	ZINC000005335776	278052687	/nfs/dbraw/zinc/05/26/87/278052687.db2.gz	GVYIEAGKCWILNS-OQNLMMDXSA-N	1	1	315.417	2.446	40	30		DEEBMO
C=CC[N@@H+]1CCOC[C@]2(CN(Cc3ccc(C)s3)CCO2)C1	ZINC000096229404	402072331	/nfs/dbraw/zinc/07/23/31/402072331.db2.gz	OZTLEZGEHIAXMZ-QGZVFWFLSA-N	1	1	322.474	2.146	40	30		DEEBMO
C=CCN1CCN(C(=O)c2cccn2C)Cc2ccc(C)[nH+]c21	ZINC000096199056	402068075	/nfs/dbraw/zinc/06/80/75/402068075.db2.gz	XRJIFPQNRWPDRU-UHFFFAOYSA-N	1	1	310.401	2.377	40	30		DEEBMO
COc1ccc(/C=C2/CC[C@@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000017198773	286267181	/nfs/dbraw/zinc/26/71/81/286267181.db2.gz	YHJFMYKYQWCQPY-IRVMHKCDSA-N	1	1	301.386	2.390	40	30		DEEBMO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1cccnc1SC	ZINC000012602209	337346024	/nfs/dbraw/zinc/34/60/24/337346024.db2.gz	LCHHTHIBSNIVIE-MELADBBJSA-N	1	1	317.458	2.430	40	30	biogenic,in-vitro	DEEBMO
C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CCOCC1)C2	ZINC000096039702	402048218	/nfs/dbraw/zinc/04/82/18/402048218.db2.gz	NALJNCIJHIWATH-ROUUACIJSA-N	1	1	309.450	2.487	40	30		DEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1	ZINC000096047650	402050889	/nfs/dbraw/zinc/05/08/89/402050889.db2.gz	ZNVAFLWTLLYMGJ-QAPCUYQASA-N	1	1	324.384	2.392	40	30		DEEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(C)cc1	ZINC000096184374	402065548	/nfs/dbraw/zinc/06/55/48/402065548.db2.gz	MBSQLBWJNVPDRC-DLBZAZTESA-N	1	1	320.458	2.159	40	30		DEEBMO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)cc1	ZINC000247893443	257115496	/nfs/dbraw/zinc/11/54/96/257115496.db2.gz	NNDGCWOWQUSFAA-IAGOWNOFSA-N	1	1	300.402	2.447	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1	ZINC000096082352	402057975	/nfs/dbraw/zinc/05/79/75/402057975.db2.gz	JHPPYKNTPLFHPN-GDBMZVCRSA-N	1	1	320.458	2.026	40	30		DEEBMO
N#Cc1ccc(OC[C@H]2Cn3cncc3C[N@H+](C3CCC3)C2)nc1	ZINC000096207669	402069516	/nfs/dbraw/zinc/06/95/16/402069516.db2.gz	KIDJSLWZUVWBSM-OAHLLOKOSA-N	1	1	323.400	2.213	40	30		DEEBMO
COCCN1CC[N@H+](Cc2cccc(C#N)c2)Cc2cccnc21	ZINC000096198852	402067324	/nfs/dbraw/zinc/06/73/24/402067324.db2.gz	QHVFTHARIPZTCU-UHFFFAOYSA-N	1	1	322.412	2.422	40	30		DEEBMO
COCCN1CC[N@@H+](Cc2cccc(C#N)c2)Cc2cccnc21	ZINC000096198852	402067326	/nfs/dbraw/zinc/06/73/26/402067326.db2.gz	QHVFTHARIPZTCU-UHFFFAOYSA-N	1	1	322.412	2.422	40	30		DEEBMO
C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000036390125	401904879	/nfs/dbraw/zinc/90/48/79/401904879.db2.gz	KHKGZFCAQZUPGU-IHRRRGAJSA-N	1	1	316.405	2.177	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1	ZINC000096047651	402050763	/nfs/dbraw/zinc/05/07/63/402050763.db2.gz	ZNVAFLWTLLYMGJ-YJBOKZPZSA-N	1	1	324.384	2.392	40	30		DEEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(OC)c1	ZINC000096184368	402065050	/nfs/dbraw/zinc/06/50/50/402065050.db2.gz	WRLCKYMZNSJEBH-DLBZAZTESA-N	1	1	300.402	2.099	40	30		DEEBMO
N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@@H+](CC4CC4)C[C@@H]23)nc1	ZINC000306137513	231090221	/nfs/dbraw/zinc/09/02/21/231090221.db2.gz	QYQAZJAWZALEDF-ULQDDVLXSA-N	1	1	313.401	2.079	40	30		DEEBMO
C=CCO[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CC[N@H+]2C1	ZINC000096183245	402065318	/nfs/dbraw/zinc/06/53/18/402065318.db2.gz	YCEUSBOOWJXUFX-JKSUJKDBSA-N	1	1	320.820	2.441	40	30		DEEBMO
CN(C)/C=[NH+]/c1c(C#N)cnn1-c1ccc(C(F)(F)F)cn1	ZINC000012524187	273786776	/nfs/dbraw/zinc/78/67/76/273786776.db2.gz	GSKUWWZMGOHHIV-UFWORHAWSA-N	1	1	308.267	2.379	40	30		DEEBMO
COc1ccc(/C=N/N=C2C3(C)CN4C[NH+](C3)CC2(C)C4)cc1	ZINC000026896227	523440995	/nfs/dbraw/zinc/44/09/95/523440995.db2.gz	AEILLBFEGMTBJU-CJDJWCQUSA-N	1	1	312.417	2.085	40	30		DEEBMO
C=CC[N@@H+]1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1	ZINC000585102475	357332894	/nfs/dbraw/zinc/33/28/94/357332894.db2.gz	VUDOLCOKYMMPQP-UHFFFAOYSA-N	1	1	310.413	2.006	40	30		DEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1	ZINC000096047648	402050205	/nfs/dbraw/zinc/05/02/05/402050205.db2.gz	ZNVAFLWTLLYMGJ-CRAIPNDOSA-N	1	1	324.384	2.392	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n1	ZINC000096048325	402050727	/nfs/dbraw/zinc/05/07/27/402050727.db2.gz	UIPBQCKBNYAUGN-FUHWJXTLSA-N	1	1	312.417	2.399	40	30		DEEBMO
CN(C)c1ncnc2c1CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096255390	402075446	/nfs/dbraw/zinc/07/54/46/402075446.db2.gz	MUINOALOUBDJEN-UHFFFAOYSA-N	1	1	307.401	2.015	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1	ZINC000096047649	402051077	/nfs/dbraw/zinc/05/10/77/402051077.db2.gz	ZNVAFLWTLLYMGJ-MAUKXSAKSA-N	1	1	324.384	2.392	40	30		DEEBMO
C=CC[N@H+]1CC[C@H]2OCCC[C@]2(COCC2CCOCC2)C1	ZINC000096065066	402055460	/nfs/dbraw/zinc/05/54/60/402055460.db2.gz	DQLFWGAHPGMRJM-QZTJIDSGSA-N	1	1	309.450	2.487	40	30		DEEBMO
CC(C)[N@@H+]1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1	ZINC000096208951	402069391	/nfs/dbraw/zinc/06/93/91/402069391.db2.gz	OPOBXRNEWXNLNC-HNNXBMFYSA-N	1	1	311.389	2.069	40	30		DEEBMO
CO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1	ZINC000096200193	402067937	/nfs/dbraw/zinc/06/79/37/402067937.db2.gz	WZVLFYWSAYOAGP-ZWKOTPCHSA-N	1	1	310.401	2.124	40	30		DEEBMO
CC(C)[N@H+]1CCO[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@@H]21	ZINC000108525269	402255521	/nfs/dbraw/zinc/25/55/21/402255521.db2.gz	OKKURWVQJFXVSV-ROUUACIJSA-N	1	1	317.408	2.381	40	30		DEEBMO
CC(C)N1CCO[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21	ZINC000108525269	402255523	/nfs/dbraw/zinc/25/55/23/402255523.db2.gz	OKKURWVQJFXVSV-ROUUACIJSA-N	1	1	317.408	2.381	40	30		DEEBMO
CC(C)N1CCO[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21	ZINC000108525269	402255525	/nfs/dbraw/zinc/25/55/25/402255525.db2.gz	OKKURWVQJFXVSV-ROUUACIJSA-N	1	1	317.408	2.381	40	30		DEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)n1	ZINC000096047658	402051324	/nfs/dbraw/zinc/05/13/24/402051324.db2.gz	JXBJOFBJROCECP-AEFFLSMTSA-N	1	1	324.384	2.392	40	30		DEEBMO
C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CCOCC1)C2	ZINC000096039701	402047935	/nfs/dbraw/zinc/04/79/35/402047935.db2.gz	NALJNCIJHIWATH-QZTJIDSGSA-N	1	1	309.450	2.487	40	30		DEEBMO
C=CC[N@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1	ZINC000096065067	402055817	/nfs/dbraw/zinc/05/58/17/402055817.db2.gz	DQLFWGAHPGMRJM-ZWKOTPCHSA-N	1	1	309.450	2.487	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1	ZINC000096249643	402074927	/nfs/dbraw/zinc/07/49/27/402074927.db2.gz	PEHRKZBVJXSKJG-HUUCEWRRSA-N	1	1	320.458	2.405	40	30		DEEBMO
NC(=[NH2+])NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1	ZINC000408769510	227246238	/nfs/dbraw/zinc/24/62/38/227246238.db2.gz	NDRSVLQXMAASTK-DJKKODMXSA-N	1	1	316.748	2.376	40	30		DEEBMO
COc1ccc2c3c1O[C@]1(C)C(=O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@@]341	ZINC000253504794	533324307	/nfs/dbraw/zinc/32/43/07/533324307.db2.gz	LZOYWSPVLBDFBS-PRSFTHDCSA-N	1	1	311.381	2.099	40	30	biogenic,in-vitro	DEEBMO
CN1c2cccnc2C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1CO	ZINC000225495959	402319902	/nfs/dbraw/zinc/31/99/02/402319902.db2.gz	HODYDSCQLDLHLR-KRWDZBQOSA-N	1	1	322.412	2.156	40	30	biogenic,in-vitro	DEEBMO
CN1c2cccnc2C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1CO	ZINC000225495959	402319904	/nfs/dbraw/zinc/31/99/04/402319904.db2.gz	HODYDSCQLDLHLR-KRWDZBQOSA-N	1	1	322.412	2.156	40	30	biogenic,in-vitro	DEEBMO
COCC[N@H+]1CCCC[C@@]12CC(=O)N(c1cccc(C#N)c1)C2	ZINC000096217284	274026134	/nfs/dbraw/zinc/02/61/34/274026134.db2.gz	FFDOLUJJLJAUJQ-SFHVURJKSA-N	1	1	313.401	2.166	40	30		DEEBMO
CC[C@@]1(C)Cc2c(C#N)c(=S)[nH]c([NH+]3CCOCC3)c2CO1	ZINC000000266623	276539088	/nfs/dbraw/zinc/53/90/88/276539088.db2.gz	MVCDGXXUIVDPJP-INIZCTEOSA-N	1	1	319.430	2.320	40	30		DEEBMO
C=CC[NH+]1CCN([C@H](CC)c2nnnn2C2CCCCC2)CC1	ZINC000019500617	182126039	/nfs/dbraw/zinc/12/60/39/182126039.db2.gz	ZNTXMGSLTZVRAW-MRXNPFEDSA-N	1	1	318.469	2.433	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074807	/nfs/dbraw/zinc/07/48/07/402074807.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	1	1	316.445	2.404	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074808	/nfs/dbraw/zinc/07/48/08/402074808.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	1	1	316.445	2.404	40	30		DEEBMO
C=CCO[C@H]1CC[N@H+](C2CCOCC2)[C@H]1Cc1cccnc1	ZINC000096200542	402068323	/nfs/dbraw/zinc/06/83/23/402068323.db2.gz	IRRJIHWZZOKQEX-ROUUACIJSA-N	1	1	302.418	2.449	40	30		DEEBMO
CN(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1	ZINC000096200894	402068169	/nfs/dbraw/zinc/06/81/69/402068169.db2.gz	CNAZESVUSRYPGF-MOPGFXCFSA-N	1	1	323.444	2.039	40	30		DEEBMO
CN(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1	ZINC000096200894	402068172	/nfs/dbraw/zinc/06/81/72/402068172.db2.gz	CNAZESVUSRYPGF-MOPGFXCFSA-N	1	1	323.444	2.039	40	30		DEEBMO
C=CCN1CC[C@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1=O	ZINC000096224104	402071880	/nfs/dbraw/zinc/07/18/80/402071880.db2.gz	UGQYQNXGTYHLRS-INIZCTEOSA-N	1	1	305.447	2.452	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]2C1	ZINC000096249639	402074884	/nfs/dbraw/zinc/07/48/84/402074884.db2.gz	VXJDIVDJQZDKMZ-ZIAGYGMSSA-N	1	1	306.431	2.097	40	30		DEEBMO
C[NH+]1CCN(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	ZINC000007930205	401745588	/nfs/dbraw/zinc/74/55/88/401745588.db2.gz	CGHXVZPWFPXISB-SFQUDFHCSA-N	1	1	314.345	2.436	40	30		DEEBMO
COc1ccc(/C=C2\CC[C@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000031840303	401874539	/nfs/dbraw/zinc/87/45/39/401874539.db2.gz	YHJFMYKYQWCQPY-ASNKMWSDSA-N	1	1	301.386	2.390	40	30		DEEBMO
C=CCO[C@H]1C[N@@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@@H]21	ZINC000096187036	402065867	/nfs/dbraw/zinc/06/58/67/402065867.db2.gz	QOTHVXOXYFNIGK-PMPSAXMXSA-N	1	1	304.390	2.025	40	30		DEEBMO
C=CCO[C@H]1C[N@H+](Cc2cccnc2OC)[C@@H]2CCCO[C@@H]21	ZINC000096187036	402065870	/nfs/dbraw/zinc/06/58/70/402065870.db2.gz	QOTHVXOXYFNIGK-PMPSAXMXSA-N	1	1	304.390	2.025	40	30		DEEBMO
C=C1C[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@H](C1)[N@H+]2C	ZINC000001855011	401711061	/nfs/dbraw/zinc/71/10/61/401711061.db2.gz	AVOJQKKMOHRDQQ-VNQPRFMTSA-N	1	1	307.415	2.492	40	30		DEEBMO
C=CC[NH+]1CCN([C@H](CCC)c2nnnn2C2CCCC2)CC1	ZINC000019501866	182126054	/nfs/dbraw/zinc/12/60/54/182126054.db2.gz	OGNIXYDXQZDQIZ-MRXNPFEDSA-N	1	1	318.469	2.433	40	30		DEEBMO
CNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC000108528992	402255695	/nfs/dbraw/zinc/25/56/95/402255695.db2.gz	AELFDYHZUZDVCD-CRAIPNDOSA-N	1	1	315.392	2.436	40	30		DEEBMO
C=CC[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1	ZINC000097953360	335112559	/nfs/dbraw/zinc/11/25/59/335112559.db2.gz	FEMQKDIMBYLKHF-GDBMZVCRSA-N	1	1	306.431	2.031	40	30		DEEBMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000019607506	519147338	/nfs/dbraw/zinc/14/73/38/519147338.db2.gz	VHNWBUCAXBKHCL-INMHGKMJSA-N	1	1	305.418	2.264	40	30		DEEBMO
C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CCOCC1)C2	ZINC000096039703	402047998	/nfs/dbraw/zinc/04/79/98/402047998.db2.gz	NALJNCIJHIWATH-ZWKOTPCHSA-N	1	1	309.450	2.487	40	30		DEEBMO
COc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@@]341	ZINC000253504788	533323212	/nfs/dbraw/zinc/32/32/12/533323212.db2.gz	LZOYWSPVLBDFBS-ATNYCFDYSA-N	1	1	311.381	2.099	40	30	biogenic,in-vitro	DEEBMO
C=CCN1CC[C@@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1=O	ZINC000096224107	402072209	/nfs/dbraw/zinc/07/22/09/402072209.db2.gz	UGQYQNXGTYHLRS-MRXNPFEDSA-N	1	1	305.447	2.452	40	30		DEEBMO
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1	ZINC000008254607	401750224	/nfs/dbraw/zinc/75/02/24/401750224.db2.gz	VHLHAYHHIVAMNP-YQQAZPJKSA-N	1	1	324.453	2.188	40	30	biogenic,in-vitro	DEEBMO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CCOCC1)C2	ZINC000096039700	402048033	/nfs/dbraw/zinc/04/80/33/402048033.db2.gz	NALJNCIJHIWATH-MSOLQXFVSA-N	1	1	309.450	2.487	40	30		DEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)n1	ZINC000096047656	402050844	/nfs/dbraw/zinc/05/08/44/402050844.db2.gz	JXBJOFBJROCECP-SJLPKXTDSA-N	1	1	324.384	2.392	40	30		DEEBMO
N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@H+](C4CCC4)C[C@@H]23)nc1	ZINC000306141651	231090980	/nfs/dbraw/zinc/09/09/80/231090980.db2.gz	WCWQZVSUXNOVJD-XIRDDKMYSA-N	1	1	313.401	2.221	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1	ZINC000096249644	402074878	/nfs/dbraw/zinc/07/48/78/402074878.db2.gz	SUMLBXKWSISEQL-HZPDHXFCSA-N	1	1	320.458	2.026	40	30		DEEBMO
C=CCSc1ccccc1C(=O)NCCC[NH+]1CCOCC1	ZINC000219809587	337151680	/nfs/dbraw/zinc/15/16/80/337151680.db2.gz	FVYHGMASAYWZBF-UHFFFAOYSA-N	1	1	320.458	2.417	40	30		DEEBMO
N#Cc1cccc(C[N@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)c1	ZINC000108533704	402256279	/nfs/dbraw/zinc/25/62/79/402256279.db2.gz	NWLHDHWJZXYHSV-OALUTQOASA-N	1	1	311.429	2.243	40	30		DEEBMO
N#Cc1cccc(CN2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)c1	ZINC000108533704	402256280	/nfs/dbraw/zinc/25/62/80/402256280.db2.gz	NWLHDHWJZXYHSV-OALUTQOASA-N	1	1	311.429	2.243	40	30		DEEBMO
N#Cc1cccc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)c1	ZINC000108533704	402256281	/nfs/dbraw/zinc/25/62/81/402256281.db2.gz	NWLHDHWJZXYHSV-OALUTQOASA-N	1	1	311.429	2.243	40	30		DEEBMO
C#CCOc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1OC	ZINC000019575746	182130906	/nfs/dbraw/zinc/13/09/06/182130906.db2.gz	HVVRVTPSJPCGEC-DOTOQJQBSA-N	1	1	314.429	2.376	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]21	ZINC000096249297	402074283	/nfs/dbraw/zinc/07/42/83/402074283.db2.gz	WQMXHAMHMWOCSQ-JKSUJKDBSA-N	1	1	320.458	2.168	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]21	ZINC000096249297	402074284	/nfs/dbraw/zinc/07/42/84/402074284.db2.gz	WQMXHAMHMWOCSQ-JKSUJKDBSA-N	1	1	320.458	2.168	40	30		DEEBMO
NC(=[NH2+])NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1	ZINC000408766518	227246709	/nfs/dbraw/zinc/24/67/09/227246709.db2.gz	COKGTWABLUYXFB-DJKKODMXSA-N	1	1	316.748	2.376	40	30		DEEBMO
C=C(C)COc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1	ZINC000219784729	201563455	/nfs/dbraw/zinc/56/34/55/201563455.db2.gz	JQSZGXMKDATLTI-UHFFFAOYSA-N	1	1	318.417	2.094	40	30		DEEBMO
C=CC[NH+]1CCN([C@@H](CC)c2nnnn2C2CCCCC2)CC1	ZINC000019500618	182125853	/nfs/dbraw/zinc/12/58/53/182125853.db2.gz	ZNTXMGSLTZVRAW-INIZCTEOSA-N	1	1	318.469	2.433	40	30		DEEBMO
Cc1ccc2c([nH+]1)N(C)CCN(C(=O)c1cccc(C#N)c1)C2	ZINC000096199005	402068125	/nfs/dbraw/zinc/06/81/25/402068125.db2.gz	PIEWZWFWUBJJRP-UHFFFAOYSA-N	1	1	306.369	2.354	40	30		DEEBMO
N#Cc1ccc(O[C@H]2Cn3cccc3C[N@@H+](CC3CC3)C2)nc1	ZINC000247712039	402575109	/nfs/dbraw/zinc/57/51/09/402575109.db2.gz	KIWLLJGAMYUFKR-QGZVFWFLSA-N	1	1	308.385	2.428	40	30		DEEBMO
C=CCNc1nc(N2CCCCC2)nc(N2CCCCC2)[nH+]1	ZINC000003099669	401721593	/nfs/dbraw/zinc/72/15/93/401721593.db2.gz	UMJVZCVBNCCICF-UHFFFAOYSA-N	1	1	302.426	2.450	40	30		DEEBMO
C[N@H+]1C[C@H](C[C@H](C#N)C(N)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000004212452	401725560	/nfs/dbraw/zinc/72/55/60/401725560.db2.gz	LVMVXZOPCAMYHC-GADXADSLSA-N	1	1	322.412	2.143	40	30	in-man	DEEBMO
CC12CN3CC(C[N@@H+](C1)CC3)/C2=N/N=C/c1ccc(Cl)cc1	ZINC000101514283	355709386	/nfs/dbraw/zinc/70/93/86/355709386.db2.gz	FNCVLORTOQACTM-RJMDHLSRSA-N	1	1	316.836	2.382	40	30		DEEBMO
C#CCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1OC	ZINC000019575096	182131128	/nfs/dbraw/zinc/13/11/28/182131128.db2.gz	HVVRVTPSJPCGEC-WBVHZDCISA-N	1	1	314.429	2.376	40	30		DEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)n1	ZINC000096047659	402050653	/nfs/dbraw/zinc/05/06/53/402050653.db2.gz	JXBJOFBJROCECP-WMZOPIPTSA-N	1	1	324.384	2.392	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074700	/nfs/dbraw/zinc/07/47/00/402074700.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	1	1	311.429	2.267	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074704	/nfs/dbraw/zinc/07/47/04/402074704.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	1	1	311.429	2.267	40	30		DEEBMO
CCC[C@]1(C)C(=O)NCC[N@@H+]1CCCC1(C#N)CCOCC1	ZINC000330405843	404651226	/nfs/dbraw/zinc/65/12/26/404651226.db2.gz	WKMYBVNTPPKDOS-MRXNPFEDSA-N	1	1	307.438	2.078	40	30		DEEBMO
N#Cc1ccc(N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc1	ZINC000096202497	402068880	/nfs/dbraw/zinc/06/88/80/402068880.db2.gz	MPDFXDUEQJZASF-UHFFFAOYSA-N	1	1	305.385	2.061	40	30		DEEBMO
Oc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)c(O)c1	ZINC000016479869	182046743	/nfs/dbraw/zinc/04/67/43/182046743.db2.gz	ZNLCFUANDRZZHY-UYRXBGFRSA-N	1	1	311.385	2.250	40	30		DEEBMO
C=CC[NH+]1CCN([C@H](CC)c2nnnn2C2CCCC2)CC1	ZINC000019500597	182126172	/nfs/dbraw/zinc/12/61/72/182126172.db2.gz	NMRXXRLRGPORGV-OAHLLOKOSA-N	1	1	304.442	2.043	40	30		DEEBMO
C[N@H+]1C[C@H](C[C@@H](C#N)C(N)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000005700017	401729966	/nfs/dbraw/zinc/72/99/66/401729966.db2.gz	LVMVXZOPCAMYHC-DJZPMSPPSA-N	1	1	322.412	2.143	40	30	in-man	DEEBMO
COc1ccc(/C=C2\CC[C@@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000031840299	401874469	/nfs/dbraw/zinc/87/44/69/401874469.db2.gz	YHJFMYKYQWCQPY-STTHAQSSSA-N	1	1	301.386	2.390	40	30		DEEBMO
C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1)C2	ZINC000096214801	402070327	/nfs/dbraw/zinc/07/03/27/402070327.db2.gz	DNGAEBYMUMXAPF-QGZVFWFLSA-N	1	1	320.458	2.492	40	30		DEEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CCOCC1)CCO2	ZINC000096051894	402051603	/nfs/dbraw/zinc/05/16/03/402051603.db2.gz	RRGDWBQGYITTKG-ZWKOTPCHSA-N	1	1	309.450	2.487	40	30		DEEBMO
O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCOCC2)=N/O)cc1	ZINC000104270699	402201646	/nfs/dbraw/zinc/20/16/46/402201646.db2.gz	NIKBMIRIFUMZFU-MHMWZGQGSA-N	1	1	305.334	2.161	40	30		DEEBMO
N#Cc1ccc(OC[C@@H]2Cn3cncc3C[N@H+](C3CCC3)C2)nc1	ZINC000096207668	402069563	/nfs/dbraw/zinc/06/95/63/402069563.db2.gz	KIDJSLWZUVWBSM-HNNXBMFYSA-N	1	1	323.400	2.213	40	30		DEEBMO
N#Cc1ccc(OC[C@H]2Cn3cncc3C[N@@H+](CC3CC3)C2)nc1	ZINC000096209168	402070229	/nfs/dbraw/zinc/07/02/29/402070229.db2.gz	RLLNHWCOVGLYMV-MRXNPFEDSA-N	1	1	323.400	2.071	40	30		DEEBMO
C=CCO[C@H]1C[C@@H]2CN(Cc3ccc(OC)cc3)CC[N@H+]2C1	ZINC000247900050	402577923	/nfs/dbraw/zinc/57/79/23/402577923.db2.gz	QHPFONJOGNFYON-AEFFLSMTSA-N	1	1	302.418	2.156	40	30		DEEBMO
C=C[C@]12C[N@H+](C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@@]1(c4ccccc4NC1=O)[C@@H]32	ZINC000000033878	401687433	/nfs/dbraw/zinc/68/74/33/401687433.db2.gz	NFYYATWFXNPTRM-QJICHLCESA-N	1	1	322.408	2.028	40	30	in-vitro	DEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)n1	ZINC000096048326	402050671	/nfs/dbraw/zinc/05/06/71/402050671.db2.gz	UIPBQCKBNYAUGN-AEFFLSMTSA-N	1	1	312.417	2.399	40	30		DEEBMO
C=CCO[C@H]1CC[N@@H+](Cc2nccn2C)[C@H]1Cc1cccnc1	ZINC000096200531	402067967	/nfs/dbraw/zinc/06/79/67/402067967.db2.gz	FLQCKWUENVOADQ-IRXDYDNUSA-N	1	1	312.417	2.203	40	30		DEEBMO
C=CCO[C@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1cccnc1	ZINC000096200531	402067969	/nfs/dbraw/zinc/06/79/69/402067969.db2.gz	FLQCKWUENVOADQ-IRXDYDNUSA-N	1	1	312.417	2.203	40	30		DEEBMO
NC(=[NH2+])NN=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1	ZINC000408767681	227246271	/nfs/dbraw/zinc/24/62/71/227246271.db2.gz	GFLIKSGOFDIKLY-DJKKODMXSA-N	1	1	316.748	2.376	40	30		DEEBMO
C=C1C[C@@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@H](C1)[N@H+]2C	ZINC000006003146	401730743	/nfs/dbraw/zinc/73/07/43/401730743.db2.gz	AVOJQKKMOHRDQQ-KBMXLJTQSA-N	1	1	307.415	2.492	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21	ZINC000248027373	402580870	/nfs/dbraw/zinc/58/08/70/402580870.db2.gz	WQMXHAMHMWOCSQ-CVEARBPZSA-N	1	1	320.458	2.168	40	30		DEEBMO
C=CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21	ZINC000248027373	402580872	/nfs/dbraw/zinc/58/08/72/402580872.db2.gz	WQMXHAMHMWOCSQ-CVEARBPZSA-N	1	1	320.458	2.168	40	30		DEEBMO
O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCOCC2)=N/O)cc1	ZINC000017175769	182078795	/nfs/dbraw/zinc/07/87/95/182078795.db2.gz	NIKBMIRIFUMZFU-INDQBFBHSA-N	1	1	305.334	2.161	40	30		DEEBMO
C=CC[N@@H+]1CCOC[C@@]2(CN(Cc3ccc(C)s3)CCO2)C1	ZINC000096229405	402072826	/nfs/dbraw/zinc/07/28/26/402072826.db2.gz	OZTLEZGEHIAXMZ-KRWDZBQOSA-N	1	1	322.474	2.146	40	30		DEEBMO
CNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC000108528988	402255973	/nfs/dbraw/zinc/25/59/73/402255973.db2.gz	AELFDYHZUZDVCD-MAUKXSAKSA-N	1	1	315.392	2.436	40	30		DEEBMO
CNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC000108529000	402256638	/nfs/dbraw/zinc/25/66/38/402256638.db2.gz	AELFDYHZUZDVCD-QAPCUYQASA-N	1	1	315.392	2.436	40	30		DEEBMO
COc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@@]341	ZINC000253504792	533323475	/nfs/dbraw/zinc/32/34/75/533323475.db2.gz	LZOYWSPVLBDFBS-BLDHALOPSA-N	1	1	311.381	2.099	40	30	biogenic,in-vitro	DEEBMO
CC#C[C@@](O)(C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1	ZINC000001641763	401709318	/nfs/dbraw/zinc/70/93/18/401709318.db2.gz	HGUNQPJVAVUBKB-ONYGOOLBSA-N	1	1	305.418	2.099	40	30		DEEBMO
C=CC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1	ZINC000107771430	402240653	/nfs/dbraw/zinc/24/06/53/402240653.db2.gz	DQLFWGAHPGMRJM-ROUUACIJSA-N	1	1	309.450	2.487	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21	ZINC000248027375	402580698	/nfs/dbraw/zinc/58/06/98/402580698.db2.gz	WQMXHAMHMWOCSQ-HZPDHXFCSA-N	1	1	320.458	2.168	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21	ZINC000248027375	402580700	/nfs/dbraw/zinc/58/07/00/402580700.db2.gz	WQMXHAMHMWOCSQ-HZPDHXFCSA-N	1	1	320.458	2.168	40	30		DEEBMO
COc1ccc(/C=C2/CC[C@H](C[NH+]3CCOCC3)C2=O)cc1	ZINC000016957531	286267193	/nfs/dbraw/zinc/26/71/93/286267193.db2.gz	YHJFMYKYQWCQPY-RTYFKUQISA-N	1	1	301.386	2.390	40	30		DEEBMO
C=CCO[C@@H]1CC[N@@H+](Cc2nccn2C)[C@H]1Cc1cccnc1	ZINC000096200152	402068007	/nfs/dbraw/zinc/06/80/07/402068007.db2.gz	FLQCKWUENVOADQ-DLBZAZTESA-N	1	1	312.417	2.203	40	30		DEEBMO
C=CCO[C@@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1cccnc1	ZINC000096200152	402068009	/nfs/dbraw/zinc/06/80/09/402068009.db2.gz	FLQCKWUENVOADQ-DLBZAZTESA-N	1	1	312.417	2.203	40	30		DEEBMO
CC(C)(C#N)c1ccccc1C[N@@H+](CCO)C1CCOCC1	ZINC000275588783	403107845	/nfs/dbraw/zinc/10/78/45/403107845.db2.gz	QKQAENDAWFCVNP-UHFFFAOYSA-N	1	1	302.418	2.461	40	30		DEEBMO
N#Cc1ccc(N2C[C@@H]3C[N@H+](CCN4CCCC4)CC[C@@H]3C2)cc1	ZINC000096246189	283172150	/nfs/dbraw/zinc/17/21/50/283172150.db2.gz	CNFGKMCRBKRVTE-MOPGFXCFSA-N	1	1	324.472	2.412	40	30		DEEBMO
N#Cc1ccc(N2C[C@H]3CCN(CC[NH+]4CCCC4)C[C@H]3C2)cc1	ZINC000096246189	283172155	/nfs/dbraw/zinc/17/21/55/283172155.db2.gz	CNFGKMCRBKRVTE-MOPGFXCFSA-N	1	1	324.472	2.412	40	30		DEEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(OC)cc1	ZINC000096184345	402065136	/nfs/dbraw/zinc/06/51/36/402065136.db2.gz	WMOFCZIHWWDKOM-DLBZAZTESA-N	1	1	300.402	2.099	40	30		DEEBMO
N#Cc1ccc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)s1	ZINC000332095314	403482381	/nfs/dbraw/zinc/48/23/81/403482381.db2.gz	PDVHGXUYKWENPJ-UHFFFAOYSA-N	1	1	300.387	2.438	40	30		DEEBMO
COc1ccc2c3c1O[C@]1(C)C(=O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@@]341	ZINC000253504854	533324365	/nfs/dbraw/zinc/32/43/65/533324365.db2.gz	LZOYWSPVLBDFBS-YJZQOORCSA-N	1	1	311.381	2.099	40	30	biogenic,in-vitro	DEEBMO
COc1ccccc1N1CC[NH+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC1	ZINC000005335773	401729601	/nfs/dbraw/zinc/72/96/01/401729601.db2.gz	GVYIEAGKCWILNS-BDLOCMFFSA-N	1	1	315.417	2.446	40	30		DEEBMO
CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2	ZINC000108528996	402255785	/nfs/dbraw/zinc/25/57/85/402255785.db2.gz	AELFDYHZUZDVCD-YJBOKZPZSA-N	1	1	315.392	2.436	40	30		DEEBMO
CN1c2cccnc2C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1CO	ZINC000225495890	402319348	/nfs/dbraw/zinc/31/93/48/402319348.db2.gz	OTLAVTFOUYSJOY-KRWDZBQOSA-N	1	1	322.412	2.156	40	30	biogenic,in-vitro	DEEBMO
CN1c2cccnc2C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1CO	ZINC000225495890	402319352	/nfs/dbraw/zinc/31/93/52/402319352.db2.gz	OTLAVTFOUYSJOY-KRWDZBQOSA-N	1	1	322.412	2.156	40	30	biogenic,in-vitro	DEEBMO
C=CCN1CC[C@]2(C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1=O	ZINC000096201675	402069090	/nfs/dbraw/zinc/06/90/90/402069090.db2.gz	FCRZAADXBXMZIN-DNVCBOLYSA-N	1	1	309.413	2.415	40	30		DEEBMO
C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cnn(C)c1)[C@H]2CC	ZINC000096038514	402048246	/nfs/dbraw/zinc/04/82/46/402048246.db2.gz	VYBRSCNDPPEYLC-WMZOPIPTSA-N	1	1	316.449	2.342	40	30		DEEBMO
O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCOCC2)=N\O)cc1	ZINC000017175770	182078614	/nfs/dbraw/zinc/07/86/14/182078614.db2.gz	NIKBMIRIFUMZFU-KALOYIEMSA-N	1	1	305.334	2.161	40	30		DEEBMO
CC(C)[N@@H+]1Cc2cncn2C[C@H](COc2ccc(C#N)cn2)C1	ZINC000096208950	402069899	/nfs/dbraw/zinc/06/98/99/402069899.db2.gz	OPOBXRNEWXNLNC-OAHLLOKOSA-N	1	1	311.389	2.069	40	30		DEEBMO
CN1CCC([N@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)CC1	ZINC000035446857	277029016	/nfs/dbraw/zinc/02/90/16/277029016.db2.gz	RMULRAIVMHBLCJ-AWEZNQCLSA-N	1	1	309.417	2.318	40	30	biogenic,in-vitro	DEEBMO
C[NH+]1CCN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000004905207	181170820	/nfs/dbraw/zinc/17/08/20/181170820.db2.gz	HDXLSHZNIRHIJG-SFQUDFHCSA-N	1	1	314.345	2.436	40	30		DEEBMO
C=CC[NH+]1CCN([C@@H](CC)c2nnnn2C2CCCC2)CC1	ZINC000019500598	182126206	/nfs/dbraw/zinc/12/62/06/182126206.db2.gz	NMRXXRLRGPORGV-HNNXBMFYSA-N	1	1	304.442	2.043	40	30		DEEBMO
C#CCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1OC	ZINC000019575744	182131075	/nfs/dbraw/zinc/13/10/75/182131075.db2.gz	HVVRVTPSJPCGEC-RDJZCZTQSA-N	1	1	314.429	2.376	40	30		DEEBMO
C[N@H+]1CCCSCCSCCCN(CCC#N)CC1	ZINC000068604431	402202656	/nfs/dbraw/zinc/20/26/56/402202656.db2.gz	WOWABSUZFYHFEO-UHFFFAOYSA-N	1	1	301.525	2.394	40	30		DEEBMO
C=CCO[C@H]1C[C@H]2CN(Cc3ccc(OC)cc3)CC[N@H+]2C1	ZINC000107746611	402240266	/nfs/dbraw/zinc/24/02/66/402240266.db2.gz	QHPFONJOGNFYON-WMZOPIPTSA-N	1	1	302.418	2.156	40	30		DEEBMO
CC[C@]1(C)Cc2c(C#N)c(=S)[nH]c([NH+]3CCOCC3)c2CO1	ZINC000000266624	500742795	/nfs/dbraw/zinc/74/27/95/500742795.db2.gz	MVCDGXXUIVDPJP-MRXNPFEDSA-N	1	1	319.430	2.320	40	30		DEEBMO
C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000195528631	201398876	/nfs/dbraw/zinc/39/88/76/201398876.db2.gz	KHKGZFCAQZUPGU-RDBSUJKOSA-N	1	1	316.405	2.177	40	30		DEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n1	ZINC000096048324	402051153	/nfs/dbraw/zinc/05/11/53/402051153.db2.gz	UIPBQCKBNYAUGN-SJLPKXTDSA-N	1	1	312.417	2.399	40	30		DEEBMO
C=CCO[C@@H]1C[C@@H]2CN(Cc3ccc(OC)cc3)CC[N@H+]2C1	ZINC000096054977	402052449	/nfs/dbraw/zinc/05/24/49/402052449.db2.gz	QHPFONJOGNFYON-SJLPKXTDSA-N	1	1	302.418	2.156	40	30		DEEBMO
C=CC[N@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCOCC2)C1	ZINC000107771426	402240386	/nfs/dbraw/zinc/24/03/86/402240386.db2.gz	DQLFWGAHPGMRJM-MSOLQXFVSA-N	1	1	309.450	2.487	40	30		DEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(C)oc3C)CC[C@@H]2C1	ZINC000096249640	402074866	/nfs/dbraw/zinc/07/48/66/402074866.db2.gz	UPAUYTSNABAJSR-NVXWUHKLSA-N	1	1	318.417	2.245	40	30		DEEBMO
C=CC[N@H+]1CC[C@@H]2OC[C@H](C(=O)NCc3cccs3)C[C@@H]2C1	ZINC000096042666	402049696	/nfs/dbraw/zinc/04/96/96/402049696.db2.gz	AQUPXUVFRYPVQD-FMKPAKJESA-N	1	1	320.458	2.277	40	30		DEEBMO
C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]21	ZINC000096249296	402074249	/nfs/dbraw/zinc/07/42/49/402074249.db2.gz	WQMXHAMHMWOCSQ-HOTGVXAUSA-N	1	1	320.458	2.168	40	30		DEEBMO
C=CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]21	ZINC000096249296	402074251	/nfs/dbraw/zinc/07/42/51/402074251.db2.gz	WQMXHAMHMWOCSQ-HOTGVXAUSA-N	1	1	320.458	2.168	40	30		DEEBMO