smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
FC(F)(F)c1cccc(/C=N/O[C@@H]2C[NH+]3CCC2CC3)c1	ZINC000095589348	185013675	/nfs/dbraw/zinc/01/36/75/185013675.db2.gz	ALUPBHHUYSIASU-MRGVZLDZSA-N	1	0	298.308	3.150	1	30		CGEFRO
CC[C@@]1(C[NH+](C)C)CC/C(=C\c2ccc(OC)cc2)C1=O	ZINC000005808319	170141897	/nfs/dbraw/zinc/14/18/97/170141897.db2.gz	WLVBLZIKYHODFR-XOVFHRFOSA-N	1	0	287.403	3.400	1	30		CGEFRO
C[NH+](C)C[C@H]1C[C@H]1c1ccc2cc(C#N)ccc2c1	ZINC000028960556	171582141	/nfs/dbraw/zinc/58/21/41/171582141.db2.gz	CUZLSPYEHKUVQH-SJORKVTESA-N	1	0	250.345	3.377	1	30		CGEFRO
N#Cc1ccc2[nH]cc([C@H]3CC[C@H]([NH+]4CCOCC4)C3)c2c1	ZINC000038684188	174152465	/nfs/dbraw/zinc/15/24/65/174152465.db2.gz	HBLFIZWSFUABEH-GJZGRUSLSA-N	1	0	295.386	3.008	1	30		CGEFRO
N#Cc1ccc2[nH]cc(CC[C@H]3CCCC[NH2+]3)c2c1	ZINC000045336677	175360746	/nfs/dbraw/zinc/36/07/46/175360746.db2.gz	ZWQRFANUAIWKQM-CQSZACIVSA-N	1	0	253.349	3.114	1	30		CGEFRO
CC1(C)[C@@H]2C/C(=N/O)[C@](C)([NH2+]Cc3ccccc3)C[C@@H]21	ZINC000004475255	368547459	/nfs/dbraw/zinc/54/74/59/368547459.db2.gz	ATJXSBVUUDVVKY-YOUBKHOASA-N	1	0	272.392	3.431	2	30		CGEFRO
C[N+]1(CC(=O)c2ccc(-c3ccccc3)cc2)CCOCC1	ZINC000036381156	369018610	/nfs/dbraw/zinc/01/86/10/369018610.db2.gz	RGUZMOUSOYBVGK-UHFFFAOYSA-N	1	0	296.390	3.013	1	30		CGEFRO
Cn1cc(C#N)c2cc([C@@H]3CCC[C@H]3C[NH+](C)C)ccc21	ZINC000034220514	171835115	/nfs/dbraw/zinc/83/51/15/171835115.db2.gz	MTLYLLNBEUJEJH-HOCLYGCPSA-N	1	0	281.403	3.495	1	30		CGEFRO
C[NH+](C)C[C@@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc21	ZINC000038438382	174141212	/nfs/dbraw/zinc/14/12/12/174141212.db2.gz	RXJIAQGHWRMBEZ-KBPBESRZSA-N	1	0	267.376	3.485	1	30		CGEFRO
C[NH+](C)C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(C#N)cc21	ZINC000038438383	174141304	/nfs/dbraw/zinc/14/13/04/174141304.db2.gz	RXJIAQGHWRMBEZ-UONOGXRCSA-N	1	0	267.376	3.485	1	30		CGEFRO
N#Cc1cccc(-c2cncc(C[NH2+]C3CCCC3)n2)c1	ZINC000071410698	176156895	/nfs/dbraw/zinc/15/68/95/176156895.db2.gz	KFULYJVTXWMLFG-UHFFFAOYSA-N	1	0	278.359	3.047	1	30		CGEFRO
C=CCCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C[C@H]1c1ccccc1	ZINC000072134790	176322279	/nfs/dbraw/zinc/32/22/79/176322279.db2.gz	XEHSDYLENXKXTP-SQNIBIBYSA-N	1	0	298.430	3.247	3	30		CGEFRO
C[NH+](C)C[C@H]1CC/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000005882960	170150039	/nfs/dbraw/zinc/15/00/39/170150039.db2.gz	KDIDEKOMHOXANB-CNELAYHGSA-N	1	0	263.768	3.264	1	30		CGEFRO
N#Cc1ccc2cc(OCC3CC[NH2+]CC3)ccc2c1	ZINC000040892817	174428990	/nfs/dbraw/zinc/42/89/90/174428990.db2.gz	SHJHTXWKDLOBQS-UHFFFAOYSA-N	1	0	266.344	3.090	1	30	in-vivo	CGEFRO
N#Cc1ccc2[nH]cc(CC[C@@H]3CCCC[NH2+]3)c2c1	ZINC000045336674	175360963	/nfs/dbraw/zinc/36/09/63/175360963.db2.gz	ZWQRFANUAIWKQM-AWEZNQCLSA-N	1	0	253.349	3.114	1	30		CGEFRO
CCCCCCCCOC[C@H](C[N+](C)(C)C)OC	ZINC000043226567	717128455	/nfs/dbraw/zinc/12/84/55/717128455.db2.gz	IPDRRIIAMVLHFJ-HNNXBMFYSA-N	1	0	260.442	3.085	1	30		CGEFRO
O/N=C/c1cc[n+](Cc2csc3ccccc23)cc1	ZINC000045302339	175354825	/nfs/dbraw/zinc/35/48/25/175354825.db2.gz	WRYJKCYXFGLRMI-UHFFFAOYSA-O	1	0	269.349	3.045	1	30		CGEFRO
N#Cc1ccc(-c2cc(O[C@@H]3CC[NH2+]C3)cnc2Cl)cc1	ZINC000003973579	518196531	/nfs/dbraw/zinc/19/65/31/518196531.db2.gz	QEHPFSYDPGOMJI-CYBMUJFWSA-N	1	0	299.761	3.014	1	30		CGEFRO
C[NH+](C)CCN=C1CC(C)(C)c2cc(Cl)ccc2N1	ZINC000096908096	185128386	/nfs/dbraw/zinc/12/83/86/185128386.db2.gz	QUOHZMPLEAMKNV-UHFFFAOYSA-N	1	0	279.815	3.393	1	30		CGEFRO
C=CC/[NH+]=C(\S[C@H]1C=CCCC1)N1CCCC1	ZINC000005830408	170145066	/nfs/dbraw/zinc/14/50/66/170145066.db2.gz	LOGICAYXOHZUFP-YCPJBFQXSA-N	1	0	250.411	3.466	1	30		CGEFRO
C=C(C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C)C(C)C	ZINC000006495345	170207354	/nfs/dbraw/zinc/20/73/54/170207354.db2.gz	JAVCYAIBUAHAMA-ZDUSSCGKSA-N	1	0	285.391	3.158	1	30		CGEFRO
Cc1ccc(C#N)c(S[C@H](CC[NH3+])c2ccccc2)n1	ZINC000071294742	176112059	/nfs/dbraw/zinc/11/20/59/176112059.db2.gz	LDAUFMYFIINTDH-OAHLLOKOSA-N	1	0	283.400	3.444	1	30		CGEFRO
C=C(CCOC)CC[C@H]1CCCC[C@@H](C[NH+](C)C)C1=O	ZINC000005922649	170155857	/nfs/dbraw/zinc/15/58/57/170155857.db2.gz	QADHJENBAFALDA-CVEARBPZSA-N	1	0	281.440	3.296	1	30		CGEFRO
C=C(C)C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](CCC)C1	ZINC000006381047	170196937	/nfs/dbraw/zinc/19/69/37/170196937.db2.gz	WGQGNLHTPWDEMA-CQSZACIVSA-N	1	0	285.391	3.475	1	30		CGEFRO
C=CC[N@@H+]1[C@H](C)C[C@@]2(C)C[C@@H]1Cc1ccc(O)cc12	ZINC000040375110	174248992	/nfs/dbraw/zinc/24/89/92/174248992.db2.gz	IXUZILCGFSCJRF-IFIJOSMWSA-N	1	0	257.377	3.245	1	30		CGEFRO
CCCCCCC[N@@H+]1CCc2cc(O)c(O)cc2C1	ZINC000043544052	175064422	/nfs/dbraw/zinc/06/44/22/175064422.db2.gz	NPOMEWIFJUKGMV-UHFFFAOYSA-N	1	0	263.381	3.426	1	30		CGEFRO
COc1ccc2c(NN=Cc3ccccc3)cc(C)[nH+]c2c1	ZINC000045186580	175326459	/nfs/dbraw/zinc/32/64/59/175326459.db2.gz	FACSCIBTNBDOJV-XDHOZWIPSA-N	1	0	291.354	3.420	1	30		CGEFRO
C[N+](C)(C)C[C@@H]1CCCC/C1=N\OC(=O)c1ccccc1	ZINC000018011505	717112885	/nfs/dbraw/zinc/11/28/85/717112885.db2.gz	YMNMKRXNOBTSSU-DUPDJQDOSA-N	1	0	289.399	3.096	1	30		CGEFRO
C=CC/[NH+]=C(\S[C@@H]1C=CCCC1)N1CCCC1	ZINC000005830411	170144948	/nfs/dbraw/zinc/14/49/48/170144948.db2.gz	LOGICAYXOHZUFP-FARYLTDUSA-N	1	0	250.411	3.466	1	30		CGEFRO
CCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1	ZINC000044323781	717129270	/nfs/dbraw/zinc/12/92/70/717129270.db2.gz	BHIXEZYPQGDCTR-MRXNPFEDSA-N	1	0	272.453	3.312	1	30		CGEFRO
C[NH+](C)C1CSC(C#N)(c2ccccc2Cl)SC1	ZINC000103191830	185814620	/nfs/dbraw/zinc/81/46/20/185814620.db2.gz	VLVZLENQESNKFZ-UHFFFAOYSA-N	1	0	298.864	3.427	1	30		CGEFRO
C[N+](C)(C)CC1=Cc2cccc3cccc(c32)C1=O	ZINC000169326357	717155432	/nfs/dbraw/zinc/15/54/32/717155432.db2.gz	IKQXBMCENXWZTL-UHFFFAOYSA-N	1	0	252.337	3.126	1	30		CGEFRO
C=CC[C@@H](C)[C@@]12CC[NH2+][C@@H](Cc3ccc(O)cc31)[C@@H]2C	ZINC000017249639	170730828	/nfs/dbraw/zinc/73/08/28/170730828.db2.gz	FFZIDAYPZLTCSZ-XLQHLMKVSA-N	1	0	271.404	3.396	1	30		CGEFRO
C[NH+](C)C1CSC(C#N)(c2ccc(Cl)cc2)SC1	ZINC000039612616	174170585	/nfs/dbraw/zinc/17/05/85/174170585.db2.gz	MJVGCSROTQVURF-UHFFFAOYSA-N	1	0	298.864	3.427	1	30		CGEFRO
C=C(C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C)C(C)C	ZINC000006488719	170205253	/nfs/dbraw/zinc/20/52/53/170205253.db2.gz	JAVCYAIBUAHAMA-CYBMUJFWSA-N	1	0	285.391	3.158	1	30		CGEFRO
C=CC[C@@H]1Cc2cccc(OC)c2C[C@@H]1[NH2+]CCC	ZINC000027738186	171530825	/nfs/dbraw/zinc/53/08/25/171530825.db2.gz	VSQCOYGHYYVARS-ZBFHGGJFSA-N	1	0	259.393	3.354	1	30		CGEFRO
C=CC[NH2+][C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C	ZINC000002010259	169767199	/nfs/dbraw/zinc/76/71/99/169767199.db2.gz	AHJAFUBWGNVAPG-HUUCEWRRSA-N	1	0	257.377	3.445	1	30		CGEFRO
CC[NH2+][C@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc32)C1	ZINC000038777476	174154886	/nfs/dbraw/zinc/15/48/86/174154886.db2.gz	SPOMJORBQNBLFJ-STQMWFEESA-N	1	0	253.349	3.285	1	30		CGEFRO
COc1ccc(NC(=[NH2+])NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000005932701	170157165	/nfs/dbraw/zinc/15/71/65/170157165.db2.gz	LBWQPVKPWLLFEP-UHFFFAOYSA-N	1	0	299.418	3.391	1	30		CGEFRO
CC[NH2+][C@H]1CC[C@@H](c2c[nH]c3ccc(C#N)cc32)C1	ZINC000038777478	174154758	/nfs/dbraw/zinc/15/47/58/174154758.db2.gz	SPOMJORBQNBLFJ-OLZOCXBDSA-N	1	0	253.349	3.285	1	30		CGEFRO
C[N+]1(C)CCCC[C@H]1/C=C1\CCc2ccccc2C1=O	ZINC000013554152	717108613	/nfs/dbraw/zinc/10/86/13/717108613.db2.gz	HNPYWUGHXZGMBB-MDJJKAFGSA-N	1	0	270.396	3.371	1	30		CGEFRO
C[N@+]1(CC(=O)c2ccc(F)cc2)CCc2ccccc2C1	ZINC000248057172	377263616	/nfs/dbraw/zinc/26/36/16/377263616.db2.gz	SQAGTIYYVJQEIO-FQEVSTJZSA-N	1	0	284.354	3.211	1	30		CGEFRO
C=CCOc1ccc2c3c1CC[N@@H+](C)C[C@H]3CCC2	ZINC000027726621	171529937	/nfs/dbraw/zinc/52/99/37/171529937.db2.gz	JQVPPKQPXFBVHU-CQSZACIVSA-N	1	0	257.377	3.159	1	30		CGEFRO
Cc1cc[n+](CC(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000045315165	175358306	/nfs/dbraw/zinc/35/83/06/175358306.db2.gz	DBEKVFTYZIFOCI-UHFFFAOYSA-N	1	0	266.364	3.044	1	30		CGEFRO
C[N@@H+]1CCC[C@H]1CCc1c[nH]c2ccc(C#N)cc12	ZINC000045368193	175363110	/nfs/dbraw/zinc/36/31/10/175363110.db2.gz	RNUULABSDAUYCP-AWEZNQCLSA-N	1	0	253.349	3.066	1	30		CGEFRO
C[N+]1(CC(=O)c2ccc(F)cc2)CCc2ccccc2C1	ZINC000036381150	717125286	/nfs/dbraw/zinc/12/52/86/717125286.db2.gz	SQAGTIYYVJQEIO-UHFFFAOYSA-N	1	0	284.354	3.211	1	30		CGEFRO
FC(F)(F)c1ccccc1/C=N/O[C@H]1C[NH+]2CCC1CC2	ZINC000095589061	185012474	/nfs/dbraw/zinc/01/24/74/185012474.db2.gz	RGSDOTDOOLQAIP-FRSZACSASA-N	1	0	298.308	3.150	1	30		CGEFRO
C(=N/C1=COCC=[N+]1Cc1ccccc1)\c1ccccc1	ZINC000022780186	171398725	/nfs/dbraw/zinc/39/87/25/171398725.db2.gz	OXSJZMCFMMRNHH-CPNJWEJPSA-N	1	0	277.347	3.218	1	30		CGEFRO
C[NH+](C)C[C@@H]1C[C@H]1c1ccc2ccc(C#N)cc2c1	ZINC000028960517	171581826	/nfs/dbraw/zinc/58/18/26/171581826.db2.gz	OUMLAORSIFDYJV-IRXDYDNUSA-N	1	0	250.345	3.377	1	30		CGEFRO
Cc1cccc(Nc2ccc(C#CC(C)(C)O)cc2)n1	ZINC000071405072	176155225	/nfs/dbraw/zinc/15/52/25/176155225.db2.gz	KCYPEQGZOUORMP-UHFFFAOYSA-N	1	0	266.344	3.256	1	30		CGEFRO
Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C#N)c2)cc1	ZINC000045195480	175326838	/nfs/dbraw/zinc/32/68/38/175326838.db2.gz	NNXOJWKUNVHHHV-BEFAXECRSA-N	1	0	294.398	3.121	1	30		CGEFRO
C[n+]1ccc([C@@H]2O[C@@H]2c2ccccc2)c2ccccc21	ZINC000045369627	175363859	/nfs/dbraw/zinc/36/38/59/175363859.db2.gz	OWKKQJKVOOETRD-MSOLQXFVSA-N	1	0	262.332	3.477	1	30		CGEFRO
C[N@@H+]1CCC[C@@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095587381	185012770	/nfs/dbraw/zinc/01/27/70/185012770.db2.gz	LXOHSHNIWNUDBG-AGZSBTIMSA-N	1	0	286.297	3.150	1	30		CGEFRO
CC1(C)CC(=[NH+]CCCO)Nc2ccc(Cl)cc21	ZINC000096908689	185127911	/nfs/dbraw/zinc/12/79/11/185127911.db2.gz	HVSVZLLQICJXNI-UHFFFAOYSA-N	1	0	266.772	3.214	1	30		CGEFRO
C=C(CCOC)CC[C@@H]1CCCC[C@H](C[NH+](C)C)C1=O	ZINC000005922656	170155928	/nfs/dbraw/zinc/15/59/28/170155928.db2.gz	QADHJENBAFALDA-JKSUJKDBSA-N	1	0	281.440	3.296	1	30		CGEFRO
N#Cc1ccc(-c2cncc(C[NH2+]C3CCCC3)n2)cc1	ZINC000071331420	176124690	/nfs/dbraw/zinc/12/46/90/176124690.db2.gz	AGNOYBBQHUZVII-UHFFFAOYSA-N	1	0	278.359	3.047	1	30		CGEFRO
C[n+]1ccc([C@H]2O[C@H]2c2ccccc2)c2ccccc21	ZINC000045369613	175363814	/nfs/dbraw/zinc/36/38/14/175363814.db2.gz	OWKKQJKVOOETRD-ZWKOTPCHSA-N	1	0	262.332	3.477	1	30		CGEFRO
C[n+]1ccc([C@H]2O[C@@H]2c2ccccc2)c2ccccc21	ZINC000045369623	175363771	/nfs/dbraw/zinc/36/37/71/175363771.db2.gz	OWKKQJKVOOETRD-QZTJIDSGSA-N	1	0	262.332	3.477	1	30		CGEFRO
C#CCCC[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C	ZINC000027555595	171521354	/nfs/dbraw/zinc/52/13/54/171521354.db2.gz	QLVSIRINICYAHG-JVPBZIDWSA-N	1	0	283.415	3.330	1	30		CGEFRO
SC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1	ZINC000028254369	171554083	/nfs/dbraw/zinc/55/40/83/171554083.db2.gz	VSQXXSCUKPKCCU-MRXNPFEDSA-N	1	0	257.402	3.317	1	30		CGEFRO
C=CC[N@H+]1[C@H]2Cc3ccc(O)cc3[C@](C)(C2)C[C@@H]1C	ZINC000040375113	174249086	/nfs/dbraw/zinc/24/90/86/174249086.db2.gz	IXUZILCGFSCJRF-JDFRZJQESA-N	1	0	257.377	3.245	1	30		CGEFRO
C[N+]1(C)CCCC[C@@H]1/C=C1\CCc2ccccc2C1=O	ZINC000013554151	717108710	/nfs/dbraw/zinc/10/87/10/717108710.db2.gz	HNPYWUGHXZGMBB-QJPKHSJYSA-N	1	0	270.396	3.371	1	30		CGEFRO
C[N+](C)(C)C[C@H]1CCCC/C1=N\OC(=O)c1ccccc1	ZINC000018056049	170741090	/nfs/dbraw/zinc/74/10/90/170741090.db2.gz	YMNMKRXNOBTSSU-FWWJWKNHSA-N	1	0	289.399	3.096	1	30		CGEFRO
CC(C)(C)[N+](=O)Cc1c[nH]c(-c2ccc(Cl)cc2)n1	ZINC000026272414	171477840	/nfs/dbraw/zinc/47/78/40/171477840.db2.gz	VFESKOSOMGCEHY-NVMNQCDNSA-N	1	0	277.755	3.458	1	30		CGEFRO
C[NH2+]CC[C@@]1(C)[C@H]2CC3=C(C)C(=O)C[C@]31[C@H](C)CC2	ZINC000085549729	290863608	/nfs/dbraw/zinc/86/36/08/290863608.db2.gz	VHQHXQZNFNQVAX-AQMVCYDESA-N	1	0	261.409	3.328	1	30	biogenic,in-vitro	CGEFRO
C[N@@H+]1C[C@@H](CC#N)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000005599956	170118206	/nfs/dbraw/zinc/11/82/06/170118206.db2.gz	LBMFWYCMCHRLBU-HZUKXOBISA-N	1	0	265.360	3.042	1	30		CGEFRO
N#Cc1ccc2[nH]cc([C@@H]3CC[C@H]([NH+]4CCOCC4)C3)c2c1	ZINC000038684186	174152160	/nfs/dbraw/zinc/15/21/60/174152160.db2.gz	HBLFIZWSFUABEH-CABCVRRESA-N	1	0	295.386	3.008	1	30		CGEFRO
CCCN[P+](CC(C)C)(NCCC)NCCC	ZINC000045334613	175360870	/nfs/dbraw/zinc/36/08/70/175360870.db2.gz	VXANEBVOIJPAGA-UHFFFAOYSA-N	1	0	262.402	3.404	1	30		CGEFRO
C=CCCCCCCCC(=O)OCC[N+](C)(C)C	ZINC000085589819	571785108	/nfs/dbraw/zinc/78/51/08/571785108.db2.gz	MQYYZRFTBFAKRA-UHFFFAOYSA-N	1	0	256.410	3.153	1	30	endogenous,in-man	CGEFRO
C[n+]1ccc([C@@H]2O[C@H]2c2ccccc2)c2ccccc21	ZINC000045369619	175363760	/nfs/dbraw/zinc/36/37/60/175363760.db2.gz	OWKKQJKVOOETRD-ROUUACIJSA-N	1	0	262.332	3.477	1	30		CGEFRO
O[C@@H]1CCc2ccc(/[NH+]=C/N3CCc4ccccc4C3)cc21	ZINC000006716249	170231966	/nfs/dbraw/zinc/23/19/66/170231966.db2.gz	NRDCOYNEQGSTGB-CVNFFVDQSA-N	1	0	292.382	3.384	1	30		CGEFRO
N#Cc1ccc2c(c1)OC[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000040656054	174365350	/nfs/dbraw/zinc/36/53/50/174365350.db2.gz	IQHWFEDHUISJOL-FUHWJXTLSA-N	1	0	290.366	3.166	1	30		CGEFRO
C[N@@H+]1CCCC[C@@H]1/C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C	ZINC000040712649	174381019	/nfs/dbraw/zinc/38/10/19/174381019.db2.gz	REXFUIUHSLVKMM-NIYQNQTLSA-N	1	0	261.409	3.422	1	30		CGEFRO
CCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1	ZINC000044323786	717129192	/nfs/dbraw/zinc/12/91/92/717129192.db2.gz	BHIXEZYPQGDCTR-INIZCTEOSA-N	1	0	272.453	3.312	1	30		CGEFRO
C[N@@H+]1CCCC[C@@H]1CCc1c[nH]c2ccc(C#N)cc12	ZINC000045374958	175365619	/nfs/dbraw/zinc/36/56/19/175365619.db2.gz	PXHUSLYPCSVYGC-OAHLLOKOSA-N	1	0	267.376	3.456	1	30		CGEFRO
C=CCc1[nH]c2cc(Br)ccc2c1CC[NH2+]C	ZINC000072127764	176320995	/nfs/dbraw/zinc/32/09/95/176320995.db2.gz	MLHOEZKLSFADDX-UHFFFAOYSA-N	1	0	293.208	3.421	1	30		CGEFRO
C=CC[C@](O)(CC[NH+]1CCCCC1)c1ccccc1	ZINC000002479507	169794338	/nfs/dbraw/zinc/79/43/38/169794338.db2.gz	WPTUIKQWBXRYPF-KRWDZBQOSA-N	1	0	259.393	3.326	3	30		CGEFRO
CC(=NNC(N)=[NH2+])c1ccc2c(ccc3ccccc32)c1	ZINC000045324816	175359622	/nfs/dbraw/zinc/35/96/22/175359622.db2.gz	RYDIDEXBAJOGMJ-RGVLZGJSSA-N	1	0	276.343	3.200	1	30		CGEFRO
CCOC(=O)[C@H](C)c1cc(C)c(/[NH+]=C/N(C)C)c(C)c1	ZINC000100803739	185725674	/nfs/dbraw/zinc/72/56/74/185725674.db2.gz	VPLFKIWDMMXGCH-VGSSETLESA-N	1	0	276.380	3.191	1	30		CGEFRO
N#Cc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1CO2	ZINC000040676548	174373698	/nfs/dbraw/zinc/37/36/98/174373698.db2.gz	JLHYDFVXCXCPKN-SJLPKXTDSA-N	1	0	290.366	3.166	1	30		CGEFRO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(O)C#Cc1cccc2ccccc12	ZINC000005276268	170082157	/nfs/dbraw/zinc/08/21/57/170082157.db2.gz	UATGXLFLKRXZBK-GUXCAODWSA-N	1	0	293.410	3.283	1	30		CGEFRO
CC[NH2+][C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc32)C1	ZINC000038777475	174154602	/nfs/dbraw/zinc/15/46/02/174154602.db2.gz	SPOMJORBQNBLFJ-QWHCGFSZSA-N	1	0	253.349	3.285	1	30		CGEFRO
C[N@@H+]1CCCC[C@@H]1/C=C1\c2ccccc2CCC1=O	ZINC000040488567	174290365	/nfs/dbraw/zinc/29/03/65/174290365.db2.gz	IKOISXUHUSCVOV-RGHBXIHOSA-N	1	0	255.361	3.070	1	30		CGEFRO
C[N@@H+]1CCCC[C@H]1/C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C	ZINC000040712647	174380993	/nfs/dbraw/zinc/38/09/93/174380993.db2.gz	REXFUIUHSLVKMM-IYZGTYMFSA-N	1	0	261.409	3.422	1	30		CGEFRO
CCCCCCCCCCCCCC([NH3+])(CO)CO	ZINC000038154242	174134214	/nfs/dbraw/zinc/13/42/14/174134214.db2.gz	SWBKJMMKEUACOR-UHFFFAOYSA-N	1	0	273.461	3.370	1	30		CGEFRO
c1ccc(C[NH+]2CCC(=NN3CCCCC3)CC2)cc1	ZINC000005941787	170159619	/nfs/dbraw/zinc/15/96/19/170159619.db2.gz	XHMHPXHCLICECY-UHFFFAOYSA-N	1	0	271.408	3.124	1	30		CGEFRO
CCCCC#Cc1cnc(C)c(OC[C@H]2CCC[NH2+]2)c1	ZINC000095581818	185010979	/nfs/dbraw/zinc/01/09/79/185010979.db2.gz	CZWUYUYQOZHEAK-MRXNPFEDSA-N	1	0	272.392	3.063	1	30		CGEFRO
C[NH2+]CCN=C1c2ccccc2[C@@H]2C[C@@H]2c2ccccc21	ZINC000027087602	171506929	/nfs/dbraw/zinc/50/69/29/171506929.db2.gz	HFTQXFBRFZPMFQ-HDICACEKSA-N	1	0	276.383	3.328	1	30		CGEFRO
O/N=C/c1ccc[n+](Cc2csc3ccccc23)c1	ZINC000045253271	175336746	/nfs/dbraw/zinc/33/67/46/175336746.db2.gz	ANKHMSLCQPOCSC-LZYBPNLTSA-O	1	0	269.349	3.045	1	30		CGEFRO
C=C(C)C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](CCC)C1	ZINC000006381352	170196945	/nfs/dbraw/zinc/19/69/45/170196945.db2.gz	WGQGNLHTPWDEMA-AWEZNQCLSA-N	1	0	285.391	3.475	1	30		CGEFRO
[N-]=[N+]=Nc1ccc(C(=O)Nc2ccc3[nH]c(N)[nH+]c3c2)cc1	ZINC000045354748	175362066	/nfs/dbraw/zinc/36/20/66/175362066.db2.gz	FQPFLWHGJXPXBW-UHFFFAOYSA-N	1	0	293.290	3.339	1	30		CGEFRO
C[N@@H+]1CCC[C@H](O/N=C/c2cccc(C(F)(F)F)c2)C1	ZINC000095587380	185011718	/nfs/dbraw/zinc/01/17/18/185011718.db2.gz	LXOHSHNIWNUDBG-VVSAQIQQSA-N	1	0	286.297	3.150	1	30		CGEFRO
CC1(C)[C@@H]2C[C@@](C)([NH2+]Cc3ccccc3)/C(=N\O)C[C@@H]21	ZINC000004475256	368547451	/nfs/dbraw/zinc/54/74/51/368547451.db2.gz	ATJXSBVUUDVVKY-HZPXRENJSA-N	1	0	272.392	3.431	2	30		CGEFRO
C#CCOc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](C)CC3	ZINC000045366992	175363089	/nfs/dbraw/zinc/36/30/89/175363089.db2.gz	SIOFUKNCUIDAPQ-QGZVFWFLSA-N	1	0	289.378	3.451	1	30	in-vitro	CGEFRO
NC(=[NH2+])N=NC(=CCc1ccc(Cl)cc1)c1ccccc1	ZINC000064560751	526817686	/nfs/dbraw/zinc/81/76/86/526817686.db2.gz	YURUUTMRYVPMLA-OWBXZZSYSA-N	1	0	298.777	3.241	1	30		CGEFRO
CCCCCCCCOC[C@@H](C[N+](C)(C)C)OC	ZINC000043226565	717128474	/nfs/dbraw/zinc/12/84/74/717128474.db2.gz	IPDRRIIAMVLHFJ-OAHLLOKOSA-N	1	0	260.442	3.085	1	30		CGEFRO
C=C(C)C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1CCC	ZINC000006381074	170196791	/nfs/dbraw/zinc/19/67/91/170196791.db2.gz	WKPOQSWCUHFVGV-CQSZACIVSA-N	1	0	285.391	3.302	1	30		CGEFRO
CC[NH2+]CCN=C1c2ccccc2CCc2ccccc21	ZINC000027088383	171506907	/nfs/dbraw/zinc/50/69/07/171506907.db2.gz	ZRCMFDMEFJATEP-UHFFFAOYSA-N	1	0	278.399	3.232	1	30		CGEFRO
Cc1cccc(Oc2cccc(NC[C@@H]([NH3+])CS)c2)c1	ZINC000028765195	171573754	/nfs/dbraw/zinc/57/37/54/171573754.db2.gz	IPNCPDIIAMKEPG-CYBMUJFWSA-N	1	0	288.416	3.456	1	30		CGEFRO
CC(=NNC(N)=[NH2+])c1ccc2ccc3ccccc3c2c1	ZINC000045191759	175326238	/nfs/dbraw/zinc/32/62/38/175326238.db2.gz	YQAHFCBHRNWAAG-RGVLZGJSSA-N	1	0	276.343	3.200	1	30		CGEFRO
C[C@@H]1CCC[C@@H](C)N1/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000004881966	170035815	/nfs/dbraw/zinc/03/58/15/170035815.db2.gz	IXODRPLFGLKPSZ-CNIAIOPBSA-N	1	0	259.397	3.349	3	30		CGEFRO
CCCCC#Cc1cnc(C)c(OC[C@@H]2CCC[NH2+]2)c1	ZINC000095585338	185012248	/nfs/dbraw/zinc/01/22/48/185012248.db2.gz	CZWUYUYQOZHEAK-INIZCTEOSA-N	1	0	272.392	3.063	1	30		CGEFRO
CC(C)(C)[N+](=O)Cc1c[nH]c(-c2cccc(Cl)c2)n1	ZINC000026272654	171477432	/nfs/dbraw/zinc/47/74/32/171477432.db2.gz	VJGYBAQJHITRQJ-NVMNQCDNSA-N	1	0	277.755	3.458	1	30		CGEFRO
C[NH+](C)C[C@H]1C[C@H]1c1ccc2cc(C#N)c(C#N)cc2c1	ZINC000028960577	171582169	/nfs/dbraw/zinc/58/21/69/171582169.db2.gz	BDOAHAJYARXKHW-MSOLQXFVSA-N	1	0	275.355	3.248	1	30		CGEFRO
C[NH+](C)C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1	ZINC000096909371	185128676	/nfs/dbraw/zinc/12/86/76/185128676.db2.gz	DWEUBXIQNVYDHT-ZFWWWQNUSA-N	1	0	267.376	3.485	1	30		CGEFRO
C[NH2+]CC12c3ccccc3C(C[C@H]1C#N)c1ccccc12	ZINC000103229350	185818590	/nfs/dbraw/zinc/81/85/90/185818590.db2.gz	GBCWVDGMFCDITI-ISWZSGDOSA-N	1	0	274.367	3.181	1	30		CGEFRO
COc1ccccc1CNC(=[NH2+])c1cc2cc(F)ccc2[nH]1	ZINC000028564480	171563615	/nfs/dbraw/zinc/56/36/15/171563615.db2.gz	WLLGGZDDNNRWJD-UHFFFAOYSA-N	1	0	297.333	3.221	1	30		CGEFRO
C[NH+](C)C[C@H]1CCC[C@H]1c1c[nH]c2ccc(C#N)cc21	ZINC000038438384	174141588	/nfs/dbraw/zinc/14/15/88/174141588.db2.gz	RXJIAQGHWRMBEZ-ZIAGYGMSSA-N	1	0	267.376	3.485	1	30		CGEFRO
NC(=[NH2+])Nc1ncc(Cl)cc1C=CC1CCCCC1	ZINC000013436566	581097303	/nfs/dbraw/zinc/09/73/03/581097303.db2.gz	RMQJGPIZEQLBOX-VOTSOKGWSA-N	1	0	278.787	3.233	1	30		CGEFRO
CC[N+](C)(CC)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000001855712	717091057	/nfs/dbraw/zinc/09/10/57/717091057.db2.gz	LTBLKYCDPJHEFT-UHFFFAOYSA-O	1	0	290.214	3.418	1	30		CGEFRO
FC(F)(F)c1ccccc1/C=N/O[C@@H]1C[NH+]2CCC1CC2	ZINC000095589060	185012179	/nfs/dbraw/zinc/01/21/79/185012179.db2.gz	RGSDOTDOOLQAIP-MRGVZLDZSA-N	1	0	298.308	3.150	1	30		CGEFRO
CCCCCCCCCCCCOC(=O)CN(C)C(N)=[NH2+]	ZINC000096908713	185128047	/nfs/dbraw/zinc/12/80/47/185128047.db2.gz	AEKJLAYKIYFBGU-UHFFFAOYSA-N	1	0	299.459	3.276	1	30		CGEFRO
CC(C)n1c(N)[nH+]c2ccc(/C(=N/O)c3ccccc3)cc21	ZINC000005835611	170145388	/nfs/dbraw/zinc/14/53/88/170145388.db2.gz	CZUASZHISYLYCM-CAPFRKAQSA-N	1	0	294.358	3.426	1	30		CGEFRO
Cc1ccc(C(=O)O/N=C2/CCCC[C@H]2C[NH+](C)C)cc1	ZINC000005888157	170150430	/nfs/dbraw/zinc/15/04/30/170150430.db2.gz	GNEZLOZHKMTYSP-ROAZCBAYSA-N	1	0	288.391	3.260	1	30		CGEFRO
C=C(CCOC)CC[C@H]1CCCC[C@H](C[NH+](C)C)C1=O	ZINC000005922650	170155835	/nfs/dbraw/zinc/15/58/35/170155835.db2.gz	QADHJENBAFALDA-HZPDHXFCSA-N	1	0	281.440	3.296	1	30		CGEFRO
[NH3+][C@H]1CCc2ccccc2/C(=C/c2ccccc2)C1=O	ZINC000095566045	185010179	/nfs/dbraw/zinc/01/01/79/185010179.db2.gz	LLPUGHKEWRHKIU-WBILKINKSA-N	1	0	263.340	3.070	1	30		CGEFRO
C=CCn1c2ccccc2c2c1CC[C@@H]([NH+](C)C)C2	ZINC000039214077	174166020	/nfs/dbraw/zinc/16/60/20/174166020.db2.gz	OCNAMEULXYHAAK-CYBMUJFWSA-N	1	0	254.377	3.246	1	30		CGEFRO
CC[N+](C)(CC)CC(=O)OC[C@H]1[C@H](C)C=C(C)C[C@@H]1C	ZINC000001772094	336186011	/nfs/dbraw/zinc/18/60/11/336186011.db2.gz	XPZFSIWXSZKPNH-PMPSAXMXSA-N	1	0	282.448	3.254	1	30		CGEFRO
C=CCn1c2ccccc2c2c1CC[C@H]([NH+](C)C)C2	ZINC000039214078	174166113	/nfs/dbraw/zinc/16/61/13/174166113.db2.gz	OCNAMEULXYHAAK-ZDUSSCGKSA-N	1	0	254.377	3.246	1	30		CGEFRO
CCCCCCCCc1ccc(CC[C@]([NH3+])(O)CO)cc1	ZINC000043482067	175055657	/nfs/dbraw/zinc/05/56/57/175055657.db2.gz	BKKVDWZESDOMLB-SFHVURJKSA-N	1	0	293.451	3.162	1	30		CGEFRO
CCCCCCCCc1ccc(CC[C@@]([NH3+])(O)CO)cc1	ZINC000043482064	175055757	/nfs/dbraw/zinc/05/57/57/175055757.db2.gz	BKKVDWZESDOMLB-GOSISDBHSA-N	1	0	293.451	3.162	1	30		CGEFRO
C[N@@H+]1CCCC[C@H]1CCc1c[nH]c2ccc(C#N)cc12	ZINC000045374962	175365716	/nfs/dbraw/zinc/36/57/16/175365716.db2.gz	PXHUSLYPCSVYGC-HNNXBMFYSA-N	1	0	267.376	3.456	1	30		CGEFRO
C[NH+](C)C[C@@H]1C[C@@H]1c1ccc2cc(C#N)c(C#N)cc2c1	ZINC000028960565	171582191	/nfs/dbraw/zinc/58/21/91/171582191.db2.gz	BDOAHAJYARXKHW-ZWKOTPCHSA-N	1	0	275.355	3.248	1	30		CGEFRO
Cc1ccc(C(=O)O/N=C2/CCCC[C@@H]2C[NH+](C)C)cc1	ZINC000005888152	170150311	/nfs/dbraw/zinc/15/03/11/170150311.db2.gz	GNEZLOZHKMTYSP-ZMMDAZFZSA-N	1	0	288.391	3.260	1	30		CGEFRO
NC(=[NH2+])N=NC(=CCc1ccccc1Cl)c1ccccc1	ZINC000064549860	526817696	/nfs/dbraw/zinc/81/76/96/526817696.db2.gz	VWUSQAKTOIGAKP-MWGNTOPISA-N	1	0	298.777	3.241	1	30		CGEFRO
C[n+]1c(C#Cc2ccccc2)cccc1C#Cc1ccccc1	ZINC000095584967	185012166	/nfs/dbraw/zinc/01/21/66/185012166.db2.gz	GMLJYLXXJXHXOG-UHFFFAOYSA-N	1	0	294.377	3.311	1	30		CGEFRO
N#Cc1cccc(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1	ZINC000095589976	185014147	/nfs/dbraw/zinc/01/41/47/185014147.db2.gz	YVEIFDFSCWTJRT-SJLPKXTDSA-N	1	0	278.355	3.288	1	30		CGEFRO
FC(F)(F)c1cccc(/C=N/O[C@H]2C[NH+]3CCC2CC3)c1	ZINC000095589349	185014438	/nfs/dbraw/zinc/01/44/38/185014438.db2.gz	ALUPBHHUYSIASU-FRSZACSASA-N	1	0	298.308	3.150	1	30		CGEFRO
C=CCn1cc[n+](Cc2cc3ccccc3o2)c1C	ZINC000096930231	185132302	/nfs/dbraw/zinc/13/23/02/185132302.db2.gz	FUMFVFLTMHDQCG-UHFFFAOYSA-N	1	0	253.325	3.065	1	30		CGEFRO
C=C(C)C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1CCC	ZINC000006381372	170196715	/nfs/dbraw/zinc/19/67/15/170196715.db2.gz	WKPOQSWCUHFVGV-AWEZNQCLSA-N	1	0	285.391	3.302	1	30		CGEFRO
C=C(C)c1ccc([C@H]2C[C@H]3CC[C@H]([NH2+]3)[C@@H]2C(=O)OC)cc1	ZINC000036270840	172565046	/nfs/dbraw/zinc/56/50/46/172565046.db2.gz	FIISMIHWBCMEDD-WCXIOVBPSA-N	1	0	285.387	3.117	1	30		CGEFRO
CCCCCCCCCC(=O)OCC[N+](C)(C)C	ZINC000085589860	571785726	/nfs/dbraw/zinc/78/57/26/571785726.db2.gz	VZSPWUMYXMBAJB-UHFFFAOYSA-N	1	0	258.426	3.377	1	30	endogenous,in-man	CGEFRO
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H]([NH+]4CCOCC4)C3)c2c1	ZINC000038684192	174152382	/nfs/dbraw/zinc/15/23/82/174152382.db2.gz	HBLFIZWSFUABEH-LSDHHAIUSA-N	1	0	295.386	3.008	1	30		CGEFRO
C[N+]1(C)CCCC[C@@H]1/C=C1\c2ccccc2CCC1=O	ZINC000036079882	717125281	/nfs/dbraw/zinc/12/52/81/717125281.db2.gz	XKTWCHWQMIAOCU-OVGFGYAMSA-N	1	0	270.396	3.214	1	30		CGEFRO
C=CCc1ccccc1OC[C@H](O)C[NH+](C(C)C)C(C)C	ZINC000002477686	169794015	/nfs/dbraw/zinc/79/40/15/169794015.db2.gz	VQDZTASMHXQHTQ-QGZVFWFLSA-N	1	0	291.435	3.274	3	30		CGEFRO
C[NH+](C)Cc1ccccc1Oc1ccc(C#N)cc1	ZINC000040414508	174255750	/nfs/dbraw/zinc/25/57/50/174255750.db2.gz	RQDOQYXVLGVVBA-UHFFFAOYSA-N	1	0	252.317	3.412	1	30	in-vivo	CGEFRO
CC(C)(C(=O)c1ccccc1)[N+](=O)Cc1ccccc1	ZINC000002865184	368482950	/nfs/dbraw/zinc/48/29/50/368482950.db2.gz	NUAANDVMJXQRAH-AQTBWJFISA-N	1	0	267.328	3.277	3	30		CGEFRO
Cc1cccc[n+]1CC(=O)c1ccc2c(c1)CCCC2	ZINC000045298874	175354739	/nfs/dbraw/zinc/35/47/39/175354739.db2.gz	DZDIFRMRTOQZCR-UHFFFAOYSA-N	1	0	266.364	3.044	1	30		CGEFRO
CC(C)=CCNC(NCC=C(C)C)=[NH+]CC=C(C)C	ZINC000084154492	290861918	/nfs/dbraw/zinc/86/19/18/290861918.db2.gz	QNYKAPDLFBDEOG-UHFFFAOYSA-N	1	0	263.429	3.420	1	30	biogenic,in-vitro	CGEFRO
C[N@@+]1(CC(=O)c2ccc(F)cc2)CCc2ccccc2C1	ZINC000248057174	377264808	/nfs/dbraw/zinc/26/48/08/377264808.db2.gz	SQAGTIYYVJQEIO-HXUWFJFHSA-N	1	0	284.354	3.211	1	30		CGEFRO
CC[NH2+][C@@H]1CC[C@@H](c2c[nH]c3ccc(C#N)cc32)C1	ZINC000038777477	174154694	/nfs/dbraw/zinc/15/46/94/174154694.db2.gz	SPOMJORBQNBLFJ-CHWSQXEVSA-N	1	0	253.349	3.285	1	30		CGEFRO
CC[C@]1(C[NH+](C)C)CC/C(=C\c2ccc(OC)cc2)C1=O	ZINC000005808317	170142198	/nfs/dbraw/zinc/14/21/98/170142198.db2.gz	WLVBLZIKYHODFR-NKAIQICCSA-N	1	0	287.403	3.400	1	30		CGEFRO
NC(=[NH2+])N=NC(=CCc1ccccc1)c1ccc(Cl)cc1	ZINC000031648625	171641837	/nfs/dbraw/zinc/64/18/37/171641837.db2.gz	WHQIJYLRTSWYMJ-CYGOCIAXSA-N	1	0	298.777	3.241	1	30		CGEFRO
C[NH2+]C[C@@H]1CCC[C@H]1c1ccc2[nH]cc(C#N)c2c1	ZINC000038677377	174151486	/nfs/dbraw/zinc/15/14/86/174151486.db2.gz	PUIPTRFLVUMEKQ-JSGCOSHPSA-N	1	0	253.349	3.143	1	30		CGEFRO
C=C(CCOC)CC[C@@H]1CCCC[C@@H](C[NH+](C)C)C1=O	ZINC000005922654	170156120	/nfs/dbraw/zinc/15/61/20/170156120.db2.gz	QADHJENBAFALDA-HOTGVXAUSA-N	1	0	281.440	3.296	1	30		CGEFRO
C[NH+](C)C[C@H]1C[C@H]1c1cccc2cc(C#N)ccc21	ZINC000028960326	171581952	/nfs/dbraw/zinc/58/19/52/171581952.db2.gz	UOTMBQUAJZORIE-RHSMWYFYSA-N	1	0	250.345	3.377	1	30		CGEFRO
Cc1cc(NC(=NC(C)(C)C)Nc2nccs2)cc[nH+]1	ZINC000005419669	170097138	/nfs/dbraw/zinc/09/71/38/170097138.db2.gz	ZXPAEVDDRPLXIK-UHFFFAOYSA-N	1	0	289.408	3.334	1	30		CGEFRO
C[NH+](C)CCC/N=C1\c2ccccc2COc2ccccc21	ZINC000027096294	171507249	/nfs/dbraw/zinc/50/72/49/171507249.db2.gz	UDLIAROTEWANCP-FMQUCBEESA-N	1	0	294.398	3.368	1	30		CGEFRO
CCCC[C@H]([NH3+])c1cc(-c2ccccc2O)nc(N)c1C#N	ZINC000028347203	171556850	/nfs/dbraw/zinc/55/68/50/171556850.db2.gz	NTAHTPBAKPQOHK-AWEZNQCLSA-N	1	0	296.374	3.098	1	30		CGEFRO
N#Cc1ccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cnc2F)cc1	ZINC000028528794	171562870	/nfs/dbraw/zinc/56/28/70/171562870.db2.gz	HMZQULPVMKITSP-VYDXJSESSA-N	1	0	293.345	3.367	1	30		CGEFRO
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H]([NH+]4CCOCC4)C3)c2c1	ZINC000038684190	174152071	/nfs/dbraw/zinc/15/20/71/174152071.db2.gz	HBLFIZWSFUABEH-HUUCEWRRSA-N	1	0	295.386	3.008	1	30		CGEFRO
CCCCCCCc1cccc(N2CCC[NH2+]CC2)n1	ZINC000043504265	175059540	/nfs/dbraw/zinc/05/95/40/175059540.db2.gz	YBYCSVWENQMWGP-UHFFFAOYSA-N	1	0	275.440	3.394	1	30		CGEFRO
C[NH+](C)C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000005882958	170149757	/nfs/dbraw/zinc/14/97/57/170149757.db2.gz	KDIDEKOMHOXANB-SRXBQZRASA-N	1	0	263.768	3.264	1	30		CGEFRO
C[N@@H+]1CCC[C@@H]1CCc1c[nH]c2ccc(C#N)cc12	ZINC000045368190	175363215	/nfs/dbraw/zinc/36/32/15/175363215.db2.gz	RNUULABSDAUYCP-CQSZACIVSA-N	1	0	253.349	3.066	1	30		CGEFRO