smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2OC)cc1	ZINC000008037732	453154055	/nfs/dbraw/zinc/15/40/55/453154055.db2.gz	LTZZYDIVWAMMOE-UHFFFAOYSA-N	1	1	340.423	3.331	40	30		EGEBMO
C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2OC)cc1	ZINC000008037732	453154063	/nfs/dbraw/zinc/15/40/63/453154063.db2.gz	LTZZYDIVWAMMOE-UHFFFAOYSA-N	1	1	340.423	3.331	40	30		EGEBMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCOc1ccccc1F	ZINC000010227800	453281369	/nfs/dbraw/zinc/28/13/69/453281369.db2.gz	VJVDDICVOSNSFF-CQSZACIVSA-N	1	1	341.386	3.035	40	30		EGEBMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCOc1ccccc1F	ZINC000010227800	453281378	/nfs/dbraw/zinc/28/13/78/453281378.db2.gz	VJVDDICVOSNSFF-CQSZACIVSA-N	1	1	341.386	3.035	40	30		EGEBMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCOc1ccccc1F	ZINC000010227797	453281907	/nfs/dbraw/zinc/28/19/07/453281907.db2.gz	VJVDDICVOSNSFF-AWEZNQCLSA-N	1	1	341.386	3.035	40	30		EGEBMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCOc1ccccc1F	ZINC000010227797	453281916	/nfs/dbraw/zinc/28/19/16/453281916.db2.gz	VJVDDICVOSNSFF-AWEZNQCLSA-N	1	1	341.386	3.035	40	30		EGEBMO
N#CC1(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000225992415	456107412	/nfs/dbraw/zinc/10/74/12/456107412.db2.gz	ABOODCMYQBWVQH-UHFFFAOYSA-N	1	1	328.803	3.110	40	30		EGEBMO
C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](c2ccccc2)C1	ZINC000030030497	202194013	/nfs/dbraw/zinc/19/40/13/202194013.db2.gz	YMXLTGGUHCCLLH-SGWGQVFISA-N	1	1	331.419	3.087	40	30		EGEBMO
C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](c2ccccc2)C1	ZINC000030030497	202194017	/nfs/dbraw/zinc/19/40/17/202194017.db2.gz	YMXLTGGUHCCLLH-SGWGQVFISA-N	1	1	331.419	3.087	40	30		EGEBMO
N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216669	454306896	/nfs/dbraw/zinc/30/68/96/454306896.db2.gz	RDWLVYRULNZMBJ-NRFANRHFSA-N	1	1	332.451	3.446	40	30		EGEBMO
C[N@H+]1CCC[C@H](CNC(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000097097370	454406478	/nfs/dbraw/zinc/40/64/78/454406478.db2.gz	IUTFNYLRVBHGPW-CJNGLKHVSA-N	1	1	339.361	3.118	40	30		EGEBMO
C=CCn1cc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1	ZINC000012188833	211315810	/nfs/dbraw/zinc/31/58/10/211315810.db2.gz	RMSZSBTXNZGFNP-HXUWFJFHSA-N	1	1	343.446	3.390	40	30		EGEBMO
N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c(F)c1	ZINC000178799419	454978553	/nfs/dbraw/zinc/97/85/53/454978553.db2.gz	KPXQUPMLVCCYTG-MRXNPFEDSA-N	1	1	349.203	3.283	40	30		EGEBMO
CCOC(=O)[C@@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000004696769	452811949	/nfs/dbraw/zinc/81/19/49/452811949.db2.gz	ISTLFIQBNBWVQL-YTXYEVPYSA-N	1	1	328.456	3.278	40	30		EGEBMO
C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000025302264	453764919	/nfs/dbraw/zinc/76/49/19/453764919.db2.gz	GXQSMQDVIZMXGE-RDTXWAMCSA-N	1	1	328.387	3.130	40	30		EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@@H]4COC)[C@H]3C[C@H]12	ZINC000035363912	453923325	/nfs/dbraw/zinc/92/33/25/453923325.db2.gz	LYZJRMREVMQKQK-WDMXLXEJSA-N	1	1	347.499	3.411	40	30		EGEBMO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1cccc3cccnc31)C2	ZINC000096071450	454278402	/nfs/dbraw/zinc/27/84/02/454278402.db2.gz	GNCLBDFLSICPHS-OAQYLSRUSA-N	1	1	335.451	3.491	40	30		EGEBMO
C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(CC#N)cc2)C1	ZINC000225736148	456105991	/nfs/dbraw/zinc/10/59/91/456105991.db2.gz	QLGYCFXHDCSUEK-OAHLLOKOSA-N	1	1	330.501	3.161	40	30		EGEBMO
CC[C@]1(C)C[C@@](O)(CC/[NH+]=C/c2ccc(OC)c(OC)c2)CCO1	ZINC000004026762	523590182	/nfs/dbraw/zinc/59/01/82/523590182.db2.gz	JPFVAGVFSAETKK-ZWWAOTTBSA-N	1	1	335.444	3.223	40	30	biogenic	EGEBMO
N#Cc1ccc(C[NH2+]C2(Cc3cc(-c4ccccc4)on3)COC2)cc1	ZINC000072321926	202363581	/nfs/dbraw/zinc/36/35/81/202363581.db2.gz	QTQWTVVCENYFKO-UHFFFAOYSA-N	1	1	345.402	3.315	40	30	biogenic,in-vitro	EGEBMO
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H]([NH+]1CC1)CC1=CC(=O)CC[C@@]13C	ZINC000017020138	453626546	/nfs/dbraw/zinc/62/65/46/453626546.db2.gz	TVLJGVSJCIAMRD-BPSSIEEOSA-N	1	1	329.484	3.173	40	30		EGEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)cc1)CCO2	ZINC000096051889	454272955	/nfs/dbraw/zinc/27/29/55/454272955.db2.gz	LVAHDTMMQROILS-AZUAARDMSA-N	1	1	331.456	3.269	40	30		EGEBMO
O/N=C1/CCC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000100977212	454468640	/nfs/dbraw/zinc/46/86/40/454468640.db2.gz	UEFYMYUOLITXNW-KWPCUBQOSA-N	1	1	327.350	3.210	40	30		EGEBMO
N#CC1(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)CCCC1	ZINC000007880181	283047842	/nfs/dbraw/zinc/04/78/42/283047842.db2.gz	MGYXWYIZLNTXDB-KRWDZBQOSA-N	1	1	329.469	3.010	40	30		EGEBMO
N#CC1(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C2CC2)CCCC1	ZINC000007880181	283047843	/nfs/dbraw/zinc/04/78/43/283047843.db2.gz	MGYXWYIZLNTXDB-KRWDZBQOSA-N	1	1	329.469	3.010	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815138	452818149	/nfs/dbraw/zinc/81/81/49/452818149.db2.gz	CLJGDQRPOPPOBX-NBWSRYIDSA-N	1	1	332.488	3.374	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004815138	452818160	/nfs/dbraw/zinc/81/81/60/452818160.db2.gz	CLJGDQRPOPPOBX-NBWSRYIDSA-N	1	1	332.488	3.374	40	30		EGEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000096050009	454272615	/nfs/dbraw/zinc/27/26/15/454272615.db2.gz	OCXZRAOIDNHWTB-HXUWFJFHSA-N	1	1	328.456	3.228	40	30		EGEBMO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096071447	454277998	/nfs/dbraw/zinc/27/79/98/454277998.db2.gz	CKWNJAFSXQCNMY-NRFANRHFSA-N	1	1	335.451	3.491	40	30		EGEBMO
C=CC[N@@H+](C[C@@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249195418	455746399	/nfs/dbraw/zinc/74/63/99/455746399.db2.gz	QGVDISCPZDGJIP-CJNGLKHVSA-N	1	1	327.877	3.119	40	30		EGEBMO
C=CC[N@H+](C[C@@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249195418	455746402	/nfs/dbraw/zinc/74/64/02/455746402.db2.gz	QGVDISCPZDGJIP-CJNGLKHVSA-N	1	1	327.877	3.119	40	30		EGEBMO
CC1=C(Br)C[N@H+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000281170468	201325333	/nfs/dbraw/zinc/32/53/33/201325333.db2.gz	QGWHNMSHORTDOD-UHFFFAOYSA-N	1	1	348.244	3.261	40	30		EGEBMO
CC1=C(Br)C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000281170468	201325336	/nfs/dbraw/zinc/32/53/36/201325336.db2.gz	QGWHNMSHORTDOD-UHFFFAOYSA-N	1	1	348.244	3.261	40	30		EGEBMO
Fc1cc(/C=[NH+]/NCc2ccccc2Cl)ccc1N1CCOCC1	ZINC000008812034	453235106	/nfs/dbraw/zinc/23/51/06/453235106.db2.gz	WXKHLHMMQKTXQI-CIAFOILYSA-N	1	1	347.821	3.439	40	30		EGEBMO
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509765	453467210	/nfs/dbraw/zinc/46/72/10/453467210.db2.gz	ISTLFIQBNBWVQL-IXIUHKBRSA-N	1	1	328.456	3.278	40	30		EGEBMO
N#Cc1c(NC(=O)C[NH2+]Cc2ccccc2Cl)sc2c1CCC2	ZINC000058127826	454164281	/nfs/dbraw/zinc/16/42/81/454164281.db2.gz	ODCCFJSEMGJAPB-UHFFFAOYSA-N	1	1	345.855	3.490	40	30		EGEBMO
Cc1noc(C)c1CO/[NH+]=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000021041086	526517997	/nfs/dbraw/zinc/51/79/97/526517997.db2.gz	VJBPGMRRUDTSTL-VCHYOVAHSA-N	1	1	344.371	3.351	40	30		EGEBMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1	ZINC000245416630	455292817	/nfs/dbraw/zinc/29/28/17/455292817.db2.gz	FHQNOVRSUFWJDM-SOLBZPMBSA-N	1	1	325.456	3.411	40	30		EGEBMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1	ZINC000245416630	455292819	/nfs/dbraw/zinc/29/28/19/455292819.db2.gz	FHQNOVRSUFWJDM-SOLBZPMBSA-N	1	1	325.456	3.411	40	30		EGEBMO
C=CCn1cc(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)c2ccccc21	ZINC000019576641	212045120	/nfs/dbraw/zinc/04/51/20/212045120.db2.gz	WGJJZQLWOMAKQG-UHFFFAOYSA-N	1	1	334.423	3.190	40	30		EGEBMO
C=CCn1cc(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)c2ccccc21	ZINC000019576641	212045124	/nfs/dbraw/zinc/04/51/24/212045124.db2.gz	WGJJZQLWOMAKQG-UHFFFAOYSA-N	1	1	334.423	3.190	40	30		EGEBMO
C=CCc1cc(OC)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000006001485	452915886	/nfs/dbraw/zinc/91/58/86/452915886.db2.gz	FNLNXWNQBHTRON-SFHVURJKSA-N	1	1	333.472	3.428	40	30		EGEBMO
Cc1ccc(S(=O)(=O)OC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000079436757	454414985	/nfs/dbraw/zinc/41/49/85/454414985.db2.gz	RVGMIUZKANUVAH-GOSISDBHSA-N	1	1	345.464	3.365	40	30		EGEBMO
N#Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1	ZINC000247634205	455631461	/nfs/dbraw/zinc/63/14/61/455631461.db2.gz	CMUWENPYCUBDHO-PZJWPPBQSA-N	1	1	337.467	3.173	40	30		EGEBMO
C=CC[N@@H+](C[C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249195416	455746098	/nfs/dbraw/zinc/74/60/98/455746098.db2.gz	QGVDISCPZDGJIP-BBRMVZONSA-N	1	1	327.877	3.119	40	30		EGEBMO
C=CC[N@H+](C[C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249195416	455746103	/nfs/dbraw/zinc/74/61/03/455746103.db2.gz	QGVDISCPZDGJIP-BBRMVZONSA-N	1	1	327.877	3.119	40	30		EGEBMO
COc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)cc1	ZINC000035446825	213029079	/nfs/dbraw/zinc/02/90/79/213029079.db2.gz	XSOHRMCNVGAZCP-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1	ZINC000035446825	213029083	/nfs/dbraw/zinc/02/90/83/213029083.db2.gz	XSOHRMCNVGAZCP-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
COc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1	ZINC000035446825	213029087	/nfs/dbraw/zinc/02/90/87/213029087.db2.gz	XSOHRMCNVGAZCP-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
COc1cccc([C@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1	ZINC000013568924	453473212	/nfs/dbraw/zinc/47/32/12/453473212.db2.gz	KMCCQEQBARDROD-BVYCBKJFSA-N	1	1	348.446	3.296	40	30		EGEBMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000249269391	455747064	/nfs/dbraw/zinc/74/70/64/455747064.db2.gz	JYKGSHPXKRJRNN-XJKSGUPXSA-N	1	1	337.383	3.109	40	30		EGEBMO
N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2ccccc2)CC1	ZINC000052801290	214147674	/nfs/dbraw/zinc/14/76/74/214147674.db2.gz	CJMWZGWPNHVMKT-UHFFFAOYSA-N	1	1	348.450	3.099	40	30		EGEBMO
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)[C@H]([NH+]1CC1)CC1=CC(=O)CC[C@@]13C	ZINC000118917941	300874911	/nfs/dbraw/zinc/87/49/11/300874911.db2.gz	TVLJGVSJCIAMRD-CZUPSRJTSA-N	1	1	329.484	3.173	40	30		EGEBMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1	ZINC000225603379	456097787	/nfs/dbraw/zinc/09/77/87/456097787.db2.gz	GPPXODPCJHRTLI-CQSZACIVSA-N	1	1	344.459	3.421	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815137	210284364	/nfs/dbraw/zinc/28/43/64/210284364.db2.gz	CLJGDQRPOPPOBX-HGIMSIGDSA-N	1	1	332.488	3.374	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004815137	210284367	/nfs/dbraw/zinc/28/43/67/210284367.db2.gz	CLJGDQRPOPPOBX-HGIMSIGDSA-N	1	1	332.488	3.374	40	30		EGEBMO
COc1cccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1	ZINC000013568923	453472382	/nfs/dbraw/zinc/47/23/82/453472382.db2.gz	KMCCQEQBARDROD-COPCDDAFSA-N	1	1	348.446	3.296	40	30		EGEBMO
C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000025302267	453764283	/nfs/dbraw/zinc/76/42/83/453764283.db2.gz	GXQSMQDVIZMXGE-KBXCAEBGSA-N	1	1	328.387	3.130	40	30		EGEBMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1nccnc1C#N	ZINC000096429598	454341263	/nfs/dbraw/zinc/34/12/63/454341263.db2.gz	VFYUADCNKWMNKZ-UHFFFAOYSA-N	1	1	333.395	3.185	40	30		EGEBMO
CC[NH+]1CCN(C[C@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872256	521686585	/nfs/dbraw/zinc/68/65/85/521686585.db2.gz	MHXZIESENXBTBB-BBWFWOEESA-N	1	1	328.566	3.154	40	30		EGEBMO
C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C[N@@H+](CCO)C5)[C@H]3C2)[C@H]1O	ZINC000004726501	210261582	/nfs/dbraw/zinc/26/15/82/210261582.db2.gz	KNYGXNFGZONVKK-ZBWDDEHUSA-N	1	1	345.527	3.214	40	30		EGEBMO
CSC(=N/N=C(\C)c1ccc(Br)cc1)/[NH+]=C\N(C)C	ZINC000104244918	219365364	/nfs/dbraw/zinc/36/53/64/219365364.db2.gz	ZVFBGKJLSGQLKE-WEFBBSAYSA-N	1	1	341.278	3.482	40	30		EGEBMO
C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000030029696	453833530	/nfs/dbraw/zinc/83/35/30/453833530.db2.gz	CHHGOTZHUZOYOP-SGWGQVFISA-N	1	1	331.419	3.087	40	30		EGEBMO
C[N@H+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000030029696	453833531	/nfs/dbraw/zinc/83/35/31/453833531.db2.gz	CHHGOTZHUZOYOP-SGWGQVFISA-N	1	1	331.419	3.087	40	30		EGEBMO
C=C(C)C[NH+]1CCN(C(=O)c2[nH]c3ccc(OCC)cc3c2C)CC1	ZINC000057811686	454148140	/nfs/dbraw/zinc/14/81/40/454148140.db2.gz	YCWFHGCBSMJEDZ-UHFFFAOYSA-N	1	1	341.455	3.209	40	30		EGEBMO
COc1cc(N[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1	ZINC000332360528	457355887	/nfs/dbraw/zinc/35/58/87/457355887.db2.gz	UXHNQNAJGZMBJB-BFYDXBDKSA-N	1	1	329.444	3.272	40	30		EGEBMO
CCNC(=S)N/[NH+]=C/c1ccc(N2CCCC2)c2ccccc12	ZINC000006387071	452940499	/nfs/dbraw/zinc/94/04/99/452940499.db2.gz	SFICQBHMALNFGQ-DEDYPNTBSA-N	1	1	326.469	3.258	40	30		EGEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000096050010	454272916	/nfs/dbraw/zinc/27/29/16/454272916.db2.gz	OCXZRAOIDNHWTB-FQEVSTJZSA-N	1	1	328.456	3.228	40	30		EGEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1	ZINC000096218893	454307368	/nfs/dbraw/zinc/30/73/68/454307368.db2.gz	YFDZYOXDQRGQLV-MJGOQNOKSA-N	1	1	339.464	3.465	40	30		EGEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1	ZINC000096218888	454306753	/nfs/dbraw/zinc/30/67/53/454306753.db2.gz	YFDZYOXDQRGQLV-IEBWSBKVSA-N	1	1	339.464	3.465	40	30		EGEBMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000249269390	455747142	/nfs/dbraw/zinc/74/71/42/455747142.db2.gz	JYKGSHPXKRJRNN-CZUORRHYSA-N	1	1	337.383	3.109	40	30		EGEBMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000253433277	455848446	/nfs/dbraw/zinc/84/84/46/455848446.db2.gz	VAMYSVWZLGKCTF-YOEHRIQHSA-N	1	1	337.423	3.100	40	30		EGEBMO
CCC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1	ZINC000052825744	214149109	/nfs/dbraw/zinc/14/91/09/214149109.db2.gz	RVJAVKPHBLKSOG-UHFFFAOYSA-N	1	1	342.830	3.457	40	30		EGEBMO
CCC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C#N)cc1	ZINC000052825744	214149110	/nfs/dbraw/zinc/14/91/10/214149110.db2.gz	RVJAVKPHBLKSOG-UHFFFAOYSA-N	1	1	342.830	3.457	40	30		EGEBMO
Cn1cc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)cn1	ZINC000191792358	239302364	/nfs/dbraw/zinc/30/23/64/239302364.db2.gz	PCTKMYTVPKVCJD-CYBMUJFWSA-N	1	1	345.244	3.044	40	30		EGEBMO
C=CC[N@H+]1C[C@@H]2CN(Cc3ccsc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055971	454273927	/nfs/dbraw/zinc/27/39/27/454273927.db2.gz	DQSQROKNIQYHAM-HKUYNNGSSA-N	1	1	348.512	3.011	40	30		EGEBMO
C=CCN1C[C@@H]2C[N@H+](Cc3ccsc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055971	454273931	/nfs/dbraw/zinc/27/39/31/454273931.db2.gz	DQSQROKNIQYHAM-HKUYNNGSSA-N	1	1	348.512	3.011	40	30		EGEBMO
C=CCN1C[C@@H]2C[N@@H+](Cc3ccsc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055971	454273934	/nfs/dbraw/zinc/27/39/34/454273934.db2.gz	DQSQROKNIQYHAM-HKUYNNGSSA-N	1	1	348.512	3.011	40	30		EGEBMO
CC[N@@H+](C)Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c1	ZINC000283592509	456809727	/nfs/dbraw/zinc/80/97/27/456809727.db2.gz	PYAMCBNCZLLNHD-UHFFFAOYSA-N	1	1	339.399	3.112	40	30		EGEBMO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1	ZINC000008254590	546511166	/nfs/dbraw/zinc/51/11/66/546511166.db2.gz	KLGGQMZIAIBQCI-XYJFISCASA-N	1	1	329.513	3.486	40	30	biogenic,in-vitro	EGEBMO
CCOC(=O)[C@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000004696771	210250585	/nfs/dbraw/zinc/25/05/85/210250585.db2.gz	ISTLFIQBNBWVQL-ZTTFOMCMSA-N	1	1	328.456	3.278	40	30		EGEBMO
C[C@H]1CCCC[N@H+]1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004028476	290390910	/nfs/dbraw/zinc/39/09/10/290390910.db2.gz	IHANHCGTYJEQAK-PZVKIFLGSA-N	1	1	347.499	3.388	40	30		EGEBMO
C=CCc1cccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)c1O	ZINC000028349859	453823241	/nfs/dbraw/zinc/82/32/41/453823241.db2.gz	LWAMRPZXYOPFHT-JWGURIENSA-N	1	1	335.451	3.272	40	30		EGEBMO
CCn1c2ccccc2nc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000119347764	454188260	/nfs/dbraw/zinc/18/82/60/454188260.db2.gz	KDBDICSHXHYSQH-AWEZNQCLSA-N	1	1	347.422	3.217	40	30		EGEBMO
C[NH+]1CCN(C(=S)N=C(Nc2ccccc2)c2ccccc2)CC1	ZINC000036293411	213081666	/nfs/dbraw/zinc/08/16/66/213081666.db2.gz	PLLGLNSGUMMCGG-UHFFFAOYSA-N	1	1	338.480	3.298	40	30		EGEBMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)o2)cc1	ZINC000072600059	216279673	/nfs/dbraw/zinc/27/96/73/216279673.db2.gz	KQDRRMQXPPVIDT-GOSISDBHSA-N	1	1	345.406	3.295	40	30		EGEBMO
N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)o2)cc1	ZINC000072600059	216279676	/nfs/dbraw/zinc/27/96/76/216279676.db2.gz	KQDRRMQXPPVIDT-GOSISDBHSA-N	1	1	345.406	3.295	40	30		EGEBMO
C[N@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1C#N	ZINC000014110211	453507102	/nfs/dbraw/zinc/50/71/02/453507102.db2.gz	CELWGRVVWIJBLM-UHFFFAOYSA-N	1	1	343.814	3.161	40	30		EGEBMO
C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1C#N	ZINC000014110211	453507108	/nfs/dbraw/zinc/50/71/08/453507108.db2.gz	CELWGRVVWIJBLM-UHFFFAOYSA-N	1	1	343.814	3.161	40	30		EGEBMO
N#Cc1ccccc1C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1	ZINC000075165320	453868643	/nfs/dbraw/zinc/86/86/43/453868643.db2.gz	PZICQTYKRIPDFY-UHFFFAOYSA-N	1	1	336.317	3.340	40	30		EGEBMO
C[C@]([NH2+]Cc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177387030	454859040	/nfs/dbraw/zinc/85/90/40/454859040.db2.gz	WZXUFNDPQUVZHN-QGZVFWFLSA-N	1	1	347.340	3.067	40	30		EGEBMO
C[C@@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@@H](C)C[N@H+]1C	ZINC000003897065	210087488	/nfs/dbraw/zinc/08/74/88/210087488.db2.gz	VECVVFWDMWKASS-RWDYHCEOSA-N	1	1	339.233	3.322	40	30		EGEBMO
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000225482692	241889536	/nfs/dbraw/zinc/88/95/36/241889536.db2.gz	WWLXEVFMOZHFEO-INIZCTEOSA-N	1	1	345.487	3.069	40	30		EGEBMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1	ZINC000025308522	453765249	/nfs/dbraw/zinc/76/52/49/453765249.db2.gz	LEYNECFAONOHFO-UYAOXDASSA-N	1	1	340.398	3.274	40	30		EGEBMO
C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000096056889	454273867	/nfs/dbraw/zinc/27/38/67/454273867.db2.gz	WSIXJTYGUKJGEB-WOJBJXKFSA-N	1	1	331.456	3.269	40	30		EGEBMO
N#Cc1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c(F)c1	ZINC000178799430	454978277	/nfs/dbraw/zinc/97/82/77/454978277.db2.gz	KPXQUPMLVCCYTG-INIZCTEOSA-N	1	1	349.203	3.283	40	30		EGEBMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC=C(c4ccco4)C3)C2=O)cc1	ZINC000586773600	459869403	/nfs/dbraw/zinc/86/94/03/459869403.db2.gz	YEPZWMQWXLQOJU-IBGZPJMESA-N	1	1	347.418	3.436	40	30		EGEBMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC=C(c4ccco4)C3)C2=O)cc1	ZINC000586773600	459869408	/nfs/dbraw/zinc/86/94/08/459869408.db2.gz	YEPZWMQWXLQOJU-IBGZPJMESA-N	1	1	347.418	3.436	40	30		EGEBMO
C#CCOc1cccc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1	ZINC000072343272	216159874	/nfs/dbraw/zinc/15/98/74/216159874.db2.gz	MYEGPJTXVIVWPW-NHCUHLMSSA-N	1	1	346.430	3.242	40	30		EGEBMO
C=CCn1c(C)c(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)c2ccccc21	ZINC000072389562	216189379	/nfs/dbraw/zinc/18/93/79/216189379.db2.gz	HHSIPESRRFBOEP-UHFFFAOYSA-N	1	1	348.450	3.086	40	30		EGEBMO
Cc1[nH+]ccn1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000030696780	453837686	/nfs/dbraw/zinc/83/76/86/453837686.db2.gz	MRGQFBCBUUYRNU-UHFFFAOYSA-N	1	1	328.441	3.422	40	30		EGEBMO
Cc1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C	ZINC000096489521	454368355	/nfs/dbraw/zinc/36/83/55/454368355.db2.gz	GSRYPSJGOQQJAQ-MRXNPFEDSA-N	1	1	336.439	3.056	40	30		EGEBMO
CC[NH+]1CCN(C[C@@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872262	521686284	/nfs/dbraw/zinc/68/62/84/521686284.db2.gz	MHXZIESENXBTBB-YESZJQIVSA-N	1	1	328.566	3.154	40	30		EGEBMO
C=CCn1cc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1	ZINC000012188832	211315416	/nfs/dbraw/zinc/31/54/16/211315416.db2.gz	RMSZSBTXNZGFNP-FQEVSTJZSA-N	1	1	343.446	3.390	40	30		EGEBMO
Cc1oc(C#N)cc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000252483220	279271828	/nfs/dbraw/zinc/27/18/28/279271828.db2.gz	DXNYIEKPUQWIBQ-IEBWSBKVSA-N	1	1	335.407	3.216	40	30		EGEBMO
C=CCc1cc(OC)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000006001530	452915392	/nfs/dbraw/zinc/91/53/92/452915392.db2.gz	FNLNXWNQBHTRON-GOSISDBHSA-N	1	1	333.472	3.428	40	30		EGEBMO
COc1cccc([C@@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568921	453472657	/nfs/dbraw/zinc/47/26/57/453472657.db2.gz	LAKGZRJWGZDTEI-NYVOZVTQSA-N	1	1	348.446	3.296	40	30		EGEBMO
COc1ccccc1N1CC[NH+]([C@@H]2CCC=CCC/C2=N\O)CC1	ZINC000018098909	453643276	/nfs/dbraw/zinc/64/32/76/453643276.db2.gz	QBYOEGFVMIBQSJ-VJDNICFLSA-N	1	1	329.444	3.146	40	30		EGEBMO
C#CC[N@@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCc2ccccc21	ZINC000059017950	454251980	/nfs/dbraw/zinc/25/19/80/454251980.db2.gz	NIQLYUPKQZRNPR-HXUWFJFHSA-N	1	1	336.410	3.065	40	30		EGEBMO
C#CC[N@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCc2ccccc21	ZINC000059017950	454251983	/nfs/dbraw/zinc/25/19/83/454251983.db2.gz	NIQLYUPKQZRNPR-HXUWFJFHSA-N	1	1	336.410	3.065	40	30		EGEBMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1cccn1C	ZINC000096419551	454335944	/nfs/dbraw/zinc/33/59/44/454335944.db2.gz	IJKMPHNQLHXNLG-KRWDZBQOSA-N	1	1	325.412	3.121	40	30		EGEBMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CCCCC1	ZINC000052011510	454647848	/nfs/dbraw/zinc/64/78/48/454647848.db2.gz	ICHYELRNKLMDTE-SFHVURJKSA-N	1	1	343.446	3.175	40	30		EGEBMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CCCCC1	ZINC000052011510	454647852	/nfs/dbraw/zinc/64/78/52/454647852.db2.gz	ICHYELRNKLMDTE-SFHVURJKSA-N	1	1	343.446	3.175	40	30		EGEBMO
N#Cc1ccc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3cn[nH]c3)n2)cn1	ZINC000585295430	459834264	/nfs/dbraw/zinc/83/42/64/459834264.db2.gz	ZECHPFSYRYBQFM-GOSISDBHSA-N	1	1	345.410	3.152	40	30		EGEBMO
N#Cc1ccc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cn[nH]c3)n2)cn1	ZINC000585295430	459834269	/nfs/dbraw/zinc/83/42/69/459834269.db2.gz	ZECHPFSYRYBQFM-GOSISDBHSA-N	1	1	345.410	3.152	40	30		EGEBMO
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1	ZINC000008300593	1291102437	/nfs/dbraw/zinc/10/24/37/1291102437.db2.gz	JCFQXVYFIWOKOW-BULFRSBZSA-N	1	1	344.458	3.427	40	30	biogenic,in-vitro	EGEBMO
C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000040013636	213249592	/nfs/dbraw/zinc/24/95/92/213249592.db2.gz	GXQSMQDVIZMXGE-KSSFIOAISA-N	1	1	328.387	3.130	40	30		EGEBMO
Cc1ccc(S(=O)(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000079436758	217224541	/nfs/dbraw/zinc/22/45/41/217224541.db2.gz	GGIFZIIHVRIOJJ-GOSISDBHSA-N	1	1	345.464	3.365	40	30		EGEBMO
Cc1ccc(S(=O)(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000079436758	217224544	/nfs/dbraw/zinc/22/45/44/217224544.db2.gz	GGIFZIIHVRIOJJ-GOSISDBHSA-N	1	1	345.464	3.365	40	30		EGEBMO
C#CCn1cc(C[N@@H+](C)Cc2cnoc2-c2ccc(Cl)cc2)cn1	ZINC000097370580	454433314	/nfs/dbraw/zinc/43/33/14/454433314.db2.gz	MTMJZLNYJUDXSF-UHFFFAOYSA-N	1	1	340.814	3.457	40	30		EGEBMO
C#CCn1cc(C[N@H+](C)Cc2cnoc2-c2ccc(Cl)cc2)cn1	ZINC000097370580	454433315	/nfs/dbraw/zinc/43/33/15/454433315.db2.gz	MTMJZLNYJUDXSF-UHFFFAOYSA-N	1	1	340.814	3.457	40	30		EGEBMO
C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(CC#N)cc2)C1	ZINC000225736178	524087247	/nfs/dbraw/zinc/08/72/47/524087247.db2.gz	QLGYCFXHDCSUEK-HNNXBMFYSA-N	1	1	330.501	3.161	40	30		EGEBMO
C=CCn1c(C)c(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)c2ccccc21	ZINC000072347441	216160613	/nfs/dbraw/zinc/16/06/13/216160613.db2.gz	DIDQLAKBNHKJAL-UHFFFAOYSA-N	1	1	348.450	3.498	40	30		EGEBMO
C=CCn1c(C)c(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)c2ccccc21	ZINC000072347441	216160617	/nfs/dbraw/zinc/16/06/17/216160617.db2.gz	DIDQLAKBNHKJAL-UHFFFAOYSA-N	1	1	348.450	3.498	40	30		EGEBMO
CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=[NH+]\C)S3	ZINC000100436987	276378860	/nfs/dbraw/zinc/37/88/60/276378860.db2.gz	QMFOXZXFXUJYET-ISLYRVAYSA-N	1	1	331.441	3.173	40	30		EGEBMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000084116326	453970516	/nfs/dbraw/zinc/97/05/16/453970516.db2.gz	XLTFLMCXRPMORA-INIZCTEOSA-N	1	1	339.464	3.214	40	30		EGEBMO
C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC)cc1)CCC2	ZINC000096058997	454276149	/nfs/dbraw/zinc/27/61/49/454276149.db2.gz	WUZDEAGPUQETQR-UHFFFAOYSA-N	1	1	327.428	3.000	40	30		EGEBMO
C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC)cc1)CCC2	ZINC000096058997	454276154	/nfs/dbraw/zinc/27/61/54/454276154.db2.gz	WUZDEAGPUQETQR-UHFFFAOYSA-N	1	1	327.428	3.000	40	30		EGEBMO
N#Cc1ccc(F)c(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1	ZINC000096490964	454368281	/nfs/dbraw/zinc/36/82/81/454368281.db2.gz	GLEZBJFWQILPRZ-IBGZPJMESA-N	1	1	337.398	3.151	40	30		EGEBMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC=C(c4ccco4)C3)C2=O)cc1	ZINC000586773601	459869277	/nfs/dbraw/zinc/86/92/77/459869277.db2.gz	YEPZWMQWXLQOJU-LJQANCHMSA-N	1	1	347.418	3.436	40	30		EGEBMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC=C(c4ccco4)C3)C2=O)cc1	ZINC000586773601	459869285	/nfs/dbraw/zinc/86/92/85/459869285.db2.gz	YEPZWMQWXLQOJU-LJQANCHMSA-N	1	1	347.418	3.436	40	30		EGEBMO
C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)Cc1ccco1	ZINC000049581338	526090739	/nfs/dbraw/zinc/09/07/39/526090739.db2.gz	IEZQKCRGZXVORB-MRXNPFEDSA-N	1	1	325.412	3.215	40	30		EGEBMO
C=CC[N@H+]1C[C@@H]2CN(Cc3cccs3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055969	454273907	/nfs/dbraw/zinc/27/39/07/454273907.db2.gz	DJTVXFAYJVXGSE-LPHOPBHVSA-N	1	1	348.512	3.011	40	30		EGEBMO
C=CCN1C[C@@H]2C[N@H+](Cc3cccs3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055969	454273910	/nfs/dbraw/zinc/27/39/10/454273910.db2.gz	DJTVXFAYJVXGSE-LPHOPBHVSA-N	1	1	348.512	3.011	40	30		EGEBMO
C=CCN1C[C@@H]2C[N@@H+](Cc3cccs3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055969	454273913	/nfs/dbraw/zinc/27/39/13/454273913.db2.gz	DJTVXFAYJVXGSE-LPHOPBHVSA-N	1	1	348.512	3.011	40	30		EGEBMO
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1F	ZINC000073426103	454435253	/nfs/dbraw/zinc/43/52/53/454435253.db2.gz	STNFICGPIKOFLO-HNNXBMFYSA-N	1	1	332.354	3.056	40	30		EGEBMO
Cc1ccc(S(=O)(=O)OC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000034464829	525623200	/nfs/dbraw/zinc/62/32/00/525623200.db2.gz	RBXGJNNTFJVRQU-SFHVURJKSA-N	1	1	345.464	3.222	40	30		EGEBMO
C=CC[N@@H+](C[C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000189781456	526330932	/nfs/dbraw/zinc/33/09/32/526330932.db2.gz	QGVDISCPZDGJIP-XJKSGUPXSA-N	1	1	327.877	3.119	40	30		EGEBMO
C=CC[N@H+](C[C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000189781456	526330937	/nfs/dbraw/zinc/33/09/37/526330937.db2.gz	QGVDISCPZDGJIP-XJKSGUPXSA-N	1	1	327.877	3.119	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1	ZINC000229941508	536915782	/nfs/dbraw/zinc/91/57/82/536915782.db2.gz	KMCCQEQBARDROD-STZQEDGTSA-N	1	1	348.446	3.296	40	30		EGEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096214796	454305507	/nfs/dbraw/zinc/30/55/07/454305507.db2.gz	BHZLWAUEAVBSHW-IBGZPJMESA-N	1	1	329.444	3.344	40	30		EGEBMO
C[C@@]([NH2+]Cc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177387043	454858938	/nfs/dbraw/zinc/85/89/38/454858938.db2.gz	WZXUFNDPQUVZHN-KRWDZBQOSA-N	1	1	347.340	3.067	40	30		EGEBMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000003897066	210087457	/nfs/dbraw/zinc/08/74/57/210087457.db2.gz	VECVVFWDMWKASS-WCFDQUBMSA-N	1	1	339.233	3.322	40	30		EGEBMO
Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000328861957	456778415	/nfs/dbraw/zinc/77/84/15/456778415.db2.gz	FKEMOSBAOKRGQS-NVXWUHKLSA-N	1	1	332.835	3.247	40	30		EGEBMO
Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000328861957	456778425	/nfs/dbraw/zinc/77/84/25/456778425.db2.gz	FKEMOSBAOKRGQS-NVXWUHKLSA-N	1	1	332.835	3.247	40	30		EGEBMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000330788831	457085555	/nfs/dbraw/zinc/08/55/55/457085555.db2.gz	YYBWXPFQASMJBD-JEWRLFTDSA-N	1	1	327.472	3.319	40	30		EGEBMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000330788831	457085563	/nfs/dbraw/zinc/08/55/63/457085563.db2.gz	YYBWXPFQASMJBD-JEWRLFTDSA-N	1	1	327.472	3.319	40	30		EGEBMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)[C@@H]2C	ZINC000096201208	454303010	/nfs/dbraw/zinc/30/30/10/454303010.db2.gz	SVIQJRUIOUKZLX-MRXNPFEDSA-N	1	1	337.471	3.172	40	30		EGEBMO
Cc1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C	ZINC000096489519	454368176	/nfs/dbraw/zinc/36/81/76/454368176.db2.gz	GSRYPSJGOQQJAQ-INIZCTEOSA-N	1	1	336.439	3.056	40	30		EGEBMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)o2)cc1	ZINC000072600061	216279510	/nfs/dbraw/zinc/27/95/10/216279510.db2.gz	KQDRRMQXPPVIDT-SFHVURJKSA-N	1	1	345.406	3.295	40	30		EGEBMO
N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)o2)cc1	ZINC000072600061	216279514	/nfs/dbraw/zinc/27/95/14/216279514.db2.gz	KQDRRMQXPPVIDT-SFHVURJKSA-N	1	1	345.406	3.295	40	30		EGEBMO
N#Cc1ccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1	ZINC000079355816	217214135	/nfs/dbraw/zinc/21/41/35/217214135.db2.gz	LPDOLFPNEDJAAL-SFHVURJKSA-N	1	1	335.407	3.022	40	30		EGEBMO
C[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1	ZINC000004028569	452791159	/nfs/dbraw/zinc/79/11/59/452791159.db2.gz	HCQODXJXLKLAFK-PZVKIFLGSA-N	1	1	347.499	3.245	40	30		EGEBMO
C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000096056890	454273962	/nfs/dbraw/zinc/27/39/62/454273962.db2.gz	WSIXJTYGUKJGEB-VQTJNVASSA-N	1	1	331.456	3.269	40	30		EGEBMO
N#Cc1ccc(F)c(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1	ZINC000096490962	454368393	/nfs/dbraw/zinc/36/83/93/454368393.db2.gz	GLEZBJFWQILPRZ-LJQANCHMSA-N	1	1	337.398	3.151	40	30		EGEBMO
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc21	ZINC000008254600	560107846	/nfs/dbraw/zinc/10/78/46/560107846.db2.gz	VJRSPJGLKGDSJB-RYQLBKOJSA-N	1	1	349.503	3.470	40	30	biogenic,in-vitro	EGEBMO
CC[C@]1(C)C[C@](O)(CC/[NH+]=C/c2ccc(OC)c(OC)c2)CCO1	ZINC000004026761	523599483	/nfs/dbraw/zinc/59/94/83/523599483.db2.gz	JPFVAGVFSAETKK-DKGLQNEVSA-N	1	1	335.444	3.223	40	30	biogenic	EGEBMO
C[C@@H]1CC[C@H]2[C@H](C[N@@H+]3CCC[C@H](C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000004064895	210111671	/nfs/dbraw/zinc/11/16/71/210111671.db2.gz	UVGULDLZIGGMGP-JLYDJJJDSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1	ZINC000105366562	296391304	/nfs/dbraw/zinc/39/13/04/296391304.db2.gz	HCQODXJXLKLAFK-CYSZZNTHSA-N	1	1	347.499	3.245	40	30	biogenic	EGEBMO
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)[C@@H]([NH+]1CC1)CC1=CC(=O)CC[C@@]13C	ZINC000118917942	221203239	/nfs/dbraw/zinc/20/32/39/221203239.db2.gz	TVLJGVSJCIAMRD-UJPCIWJBSA-N	1	1	329.484	3.173	40	30		EGEBMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)[C@H]2C	ZINC000096201209	454302252	/nfs/dbraw/zinc/30/22/52/454302252.db2.gz	SVIQJRUIOUKZLX-INIZCTEOSA-N	1	1	337.471	3.172	40	30		EGEBMO
C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000107751860	454772506	/nfs/dbraw/zinc/77/25/06/454772506.db2.gz	WSIXJTYGUKJGEB-PMACEKPBSA-N	1	1	331.456	3.269	40	30		EGEBMO
C=CCc1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1O	ZINC000254416916	455855379	/nfs/dbraw/zinc/85/53/79/455855379.db2.gz	LWAMRPZXYOPFHT-UHFFFAOYSA-N	1	1	335.451	3.272	40	30		EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@@H]4COC)[C@H]3C[C@@H]12	ZINC000035363911	546538234	/nfs/dbraw/zinc/53/82/34/546538234.db2.gz	LYZJRMREVMQKQK-HDZJJSNZSA-N	1	1	347.499	3.411	40	30		EGEBMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000187697553	236279604	/nfs/dbraw/zinc/27/96/04/236279604.db2.gz	JYKGSHPXKRJRNN-CJNGLKHVSA-N	1	1	337.383	3.109	40	30		EGEBMO
C=CCc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc(OC)c1O	ZINC000092810782	218170701	/nfs/dbraw/zinc/17/07/01/218170701.db2.gz	IMQBDKPNOBCNCA-UHFFFAOYSA-N	1	1	327.428	3.232	40	30		EGEBMO
C=CCOC(=O)[C@@H]([NH3+])Cc1cn(C(=O)OC(C)(C)C)c2ccccc12	ZINC000095748802	454232349	/nfs/dbraw/zinc/23/23/49/454232349.db2.gz	FVSKAYVWNOSHGX-HNNXBMFYSA-N	1	1	344.411	3.024	40	30		EGEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1	ZINC000096218896	454307765	/nfs/dbraw/zinc/30/77/65/454307765.db2.gz	YFDZYOXDQRGQLV-HKUYNNGSSA-N	1	1	339.464	3.465	40	30		EGEBMO
C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@]5(CCC[C@]4(C)C[N@H+](CCO)C5)[C@H]3C2)[C@H]1O	ZINC000004726503	210260923	/nfs/dbraw/zinc/26/09/23/210260923.db2.gz	KNYGXNFGZONVKK-NGEYSQDSSA-N	1	1	345.527	3.214	40	30		EGEBMO
C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000001501112	452667773	/nfs/dbraw/zinc/66/77/73/452667773.db2.gz	VECVVFWDMWKASS-IJWOGYJESA-N	1	1	339.233	3.322	40	30		EGEBMO
CCOc1ccccc1OCCCC(=O)ONC(=[NH2+])c1ccccc1	ZINC000008429709	453203113	/nfs/dbraw/zinc/20/31/13/453203113.db2.gz	NTXWHODGMDJNAD-UHFFFAOYSA-N	1	1	342.395	3.108	40	30		EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3C[C@H]12	ZINC000012662150	453388412	/nfs/dbraw/zinc/38/84/12/453388412.db2.gz	WNVZVCLBASTOLF-WDMXLXEJSA-N	1	1	347.499	3.147	40	30		EGEBMO
C=C(C)C[NH+]1CCN(C(=O)c2c(C)c3cc(C)ccc3n2C)CC1	ZINC000057811689	454148288	/nfs/dbraw/zinc/14/82/88/454148288.db2.gz	UKYHIVNTPSXRFO-UHFFFAOYSA-N	1	1	325.456	3.129	40	30		EGEBMO
C[N@H+]1CCC[C@@H](CNC(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000253369850	455835205	/nfs/dbraw/zinc/83/52/05/455835205.db2.gz	IUTFNYLRVBHGPW-XJKSGUPXSA-N	1	1	339.361	3.118	40	30		EGEBMO
CC[NH+]1CCN(C[C@H](S)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	ZINC000026781462	521687035	/nfs/dbraw/zinc/68/70/35/521687035.db2.gz	MHXZIESENXBTBB-IKGGRYGDSA-N	1	1	328.566	3.154	40	30		EGEBMO
C=CC[N@@H+](C[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000189781479	201048856	/nfs/dbraw/zinc/04/88/56/201048856.db2.gz	QGVDISCPZDGJIP-CZUORRHYSA-N	1	1	327.877	3.119	40	30		EGEBMO
C=CC[N@H+](C[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000189781479	201048859	/nfs/dbraw/zinc/04/88/59/201048859.db2.gz	QGVDISCPZDGJIP-CZUORRHYSA-N	1	1	327.877	3.119	40	30		EGEBMO
CSC(=N/N=C(/C)c1ccc(Br)cc1)/[NH+]=C\N(C)C	ZINC000104244924	204101561	/nfs/dbraw/zinc/10/15/61/204101561.db2.gz	ZVFBGKJLSGQLKE-NMLCRSTLSA-N	1	1	341.278	3.482	40	30		EGEBMO
CSC(=N\N=C(/C)c1ccc(Br)cc1)/[NH+]=C\N(C)C	ZINC000104244929	204102397	/nfs/dbraw/zinc/10/23/97/204102397.db2.gz	ZVFBGKJLSGQLKE-IADTUTGYSA-N	1	1	341.278	3.482	40	30		EGEBMO
Cn1cc[nH+]c1N1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1	ZINC000330312592	457025942	/nfs/dbraw/zinc/02/59/42/457025942.db2.gz	WOXUKRGYQYILRK-UHFFFAOYSA-N	1	1	338.455	3.467	40	30		EGEBMO
CC[C@@]1(C)C[C@@](O)(CC/[NH+]=C/c2ccc(OC)c(OC)c2)CCO1	ZINC000004026763	523726655	/nfs/dbraw/zinc/72/66/55/523726655.db2.gz	JPFVAGVFSAETKK-YLSNXBBWSA-N	1	1	335.444	3.223	40	30	biogenic	EGEBMO
CSC(=N\N=C(\C)c1ccc(Br)cc1)/[NH+]=C\N(C)C	ZINC000104244934	204101233	/nfs/dbraw/zinc/10/12/33/204101233.db2.gz	ZVFBGKJLSGQLKE-ICUZBPRHSA-N	1	1	341.278	3.482	40	30		EGEBMO
N#Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1	ZINC000108530936	204265053	/nfs/dbraw/zinc/26/50/53/204265053.db2.gz	CMUWENPYCUBDHO-TZIWHRDSSA-N	1	1	337.467	3.173	40	30		EGEBMO
C=C(Cl)C[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000095431923	218374915	/nfs/dbraw/zinc/37/49/15/218374915.db2.gz	DZAFZCVGYDXJEZ-UHFFFAOYSA-N	1	1	335.835	3.048	40	30		EGEBMO
CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)cc3)sc2C1	ZINC000015880200	453588562	/nfs/dbraw/zinc/58/85/62/453588562.db2.gz	VOPZGXKBMIUMAG-UHFFFAOYSA-N	1	1	326.425	3.034	40	30		EGEBMO
CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)cc3)sc2C1	ZINC000015880200	453588567	/nfs/dbraw/zinc/58/85/67/453588567.db2.gz	VOPZGXKBMIUMAG-UHFFFAOYSA-N	1	1	326.425	3.034	40	30		EGEBMO
COc1ccccc1N1CC[NH+]([C@H]2CCC=CCC/C2=N\O)CC1	ZINC000018193154	453646951	/nfs/dbraw/zinc/64/69/51/453646951.db2.gz	QBYOEGFVMIBQSJ-MTBSWDCCSA-N	1	1	329.444	3.146	40	30		EGEBMO
N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cccs4)C[C@H]23)c1	ZINC000096216027	454306225	/nfs/dbraw/zinc/30/62/25/454306225.db2.gz	FFUNQSWRYCVFTC-KFKAGJAMSA-N	1	1	340.448	3.146	40	30		EGEBMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1cccn1C	ZINC000096419552	454335050	/nfs/dbraw/zinc/33/50/50/454335050.db2.gz	IJKMPHNQLHXNLG-QGZVFWFLSA-N	1	1	325.412	3.121	40	30		EGEBMO
COc1cc(N[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1	ZINC000332360529	457356143	/nfs/dbraw/zinc/35/61/43/457356143.db2.gz	UXHNQNAJGZMBJB-INMHGKMJSA-N	1	1	329.444	3.272	40	30		EGEBMO
C#CCN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O	ZINC000585172049	459831190	/nfs/dbraw/zinc/83/11/90/459831190.db2.gz	WIHRTNDXOKXZJW-DNVJHFABSA-N	1	1	348.490	3.146	40	30		EGEBMO
CC[NH+]1CCN(C[C@H](S)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1	ZINC000026781459	521687124	/nfs/dbraw/zinc/68/71/24/521687124.db2.gz	MHXZIESENXBTBB-ZACQAIPSSA-N	1	1	328.566	3.154	40	30		EGEBMO
C=CCN(CCO)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000096408994	454327349	/nfs/dbraw/zinc/32/73/49/454327349.db2.gz	LZELWRUQKAAESS-UHFFFAOYSA-N	1	1	345.487	3.463	40	30		EGEBMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000245416629	455293342	/nfs/dbraw/zinc/29/33/42/455293342.db2.gz	FHQNOVRSUFWJDM-NUJGCVRESA-N	1	1	325.456	3.411	40	30		EGEBMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000245416629	455293345	/nfs/dbraw/zinc/29/33/45/455293345.db2.gz	FHQNOVRSUFWJDM-NUJGCVRESA-N	1	1	325.456	3.411	40	30		EGEBMO
C#CCOc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1	ZINC000072343269	216159914	/nfs/dbraw/zinc/15/99/14/216159914.db2.gz	MYEGPJTXVIVWPW-SFTDATJTSA-N	1	1	346.430	3.242	40	30		EGEBMO
C[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C1	ZINC000012862774	453417800	/nfs/dbraw/zinc/41/78/00/453417800.db2.gz	UVGULDLZIGGMGP-IZKMKMHPSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
COc1cccc([C@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568920	453471924	/nfs/dbraw/zinc/47/19/24/453471924.db2.gz	LAKGZRJWGZDTEI-BVYCBKJFSA-N	1	1	348.446	3.296	40	30		EGEBMO
N#Cc1cccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1	ZINC000096255159	454313137	/nfs/dbraw/zinc/31/31/37/454313137.db2.gz	FMNRNZWSDQUUER-UHFFFAOYSA-N	1	1	330.391	3.209	40	30		EGEBMO
C[N@H+]1CCC[C@@H](CNC(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000097097371	454406483	/nfs/dbraw/zinc/40/64/83/454406483.db2.gz	IUTFNYLRVBHGPW-BBRMVZONSA-N	1	1	339.361	3.118	40	30		EGEBMO
CC[NH+]1CCN(C[C@@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022863959	521684836	/nfs/dbraw/zinc/68/48/36/521684836.db2.gz	MHXZIESENXBTBB-GVDBMIGSSA-N	1	1	328.566	3.154	40	30		EGEBMO
C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C1	ZINC000004064893	452790371	/nfs/dbraw/zinc/79/03/71/452790371.db2.gz	UVGULDLZIGGMGP-XANMSFQWSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1	ZINC000096218890	454307080	/nfs/dbraw/zinc/30/70/80/454307080.db2.gz	YFDZYOXDQRGQLV-PKOBYXMFSA-N	1	1	339.464	3.465	40	30		EGEBMO
CC[NH+]1CCN(C[C@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872259	521687174	/nfs/dbraw/zinc/68/71/74/521687174.db2.gz	MHXZIESENXBTBB-ULQDDVLXSA-N	1	1	328.566	3.154	40	30		EGEBMO
N#Cc1ncoc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000027755110	453820405	/nfs/dbraw/zinc/82/04/05/453820405.db2.gz	AOTDKYMEFVHBMW-UHFFFAOYSA-N	1	1	344.418	3.458	40	30		EGEBMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)c(F)c1	ZINC000044438813	454101091	/nfs/dbraw/zinc/10/10/91/454101091.db2.gz	LEFNARWMTWQMGF-UHFFFAOYSA-N	1	1	329.350	3.297	40	30		EGEBMO
N#Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)nc2c1	ZINC000096112281	454287211	/nfs/dbraw/zinc/28/72/11/454287211.db2.gz	VLRVNSGZEHQTOX-QAPCUYQASA-N	1	1	342.418	3.306	40	30	biogenic,in-vitro	EGEBMO
N#Cc1ccc2nc(CO[C@H]3C[N@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1	ZINC000096112281	454287213	/nfs/dbraw/zinc/28/72/13/454287213.db2.gz	VLRVNSGZEHQTOX-QAPCUYQASA-N	1	1	342.418	3.306	40	30	biogenic,in-vitro	EGEBMO
N#Cc1ccc2nc(CO[C@H]3C[N@@H+](C4CCCCC4)C[C@H]3F)[nH]c2c1	ZINC000096112281	454287218	/nfs/dbraw/zinc/28/72/18/454287218.db2.gz	VLRVNSGZEHQTOX-QAPCUYQASA-N	1	1	342.418	3.306	40	30	biogenic,in-vitro	EGEBMO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1	ZINC000247634199	455631535	/nfs/dbraw/zinc/63/15/35/455631535.db2.gz	CMUWENPYCUBDHO-FPOVZHCZSA-N	1	1	337.467	3.173	40	30		EGEBMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000253433276	455848532	/nfs/dbraw/zinc/84/85/32/455848532.db2.gz	VAMYSVWZLGKCTF-WMLDXEAASA-N	1	1	337.423	3.100	40	30		EGEBMO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cn[nH]c3)n2)cn1	ZINC000585295431	459834520	/nfs/dbraw/zinc/83/45/20/459834520.db2.gz	ZECHPFSYRYBQFM-SFHVURJKSA-N	1	1	345.410	3.152	40	30		EGEBMO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cn[nH]c3)n2)cn1	ZINC000585295431	459834524	/nfs/dbraw/zinc/83/45/24/459834524.db2.gz	ZECHPFSYRYBQFM-SFHVURJKSA-N	1	1	345.410	3.152	40	30		EGEBMO
C[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)C1	ZINC000004028551	452791143	/nfs/dbraw/zinc/79/11/43/452791143.db2.gz	CSUXALKSMYDBAB-LOMAFBIMSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
COc1cccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568919	453473009	/nfs/dbraw/zinc/47/30/09/453473009.db2.gz	LAKGZRJWGZDTEI-COPCDDAFSA-N	1	1	348.446	3.296	40	30		EGEBMO
CN(C)c1ccc(C[N@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)cc1	ZINC000035446844	453924471	/nfs/dbraw/zinc/92/44/71/453924471.db2.gz	LBTOZCSJUTVFFQ-KRWDZBQOSA-N	1	1	345.450	3.490	40	30	biogenic,in-vitro	EGEBMO
CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1	ZINC000035446844	453924474	/nfs/dbraw/zinc/92/44/74/453924474.db2.gz	LBTOZCSJUTVFFQ-KRWDZBQOSA-N	1	1	345.450	3.490	40	30	biogenic,in-vitro	EGEBMO
CN(C)c1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)cc1	ZINC000035446844	453924477	/nfs/dbraw/zinc/92/44/77/453924477.db2.gz	LBTOZCSJUTVFFQ-KRWDZBQOSA-N	1	1	345.450	3.490	40	30	biogenic,in-vitro	EGEBMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1	ZINC000245416628	455293074	/nfs/dbraw/zinc/29/30/74/455293074.db2.gz	FHQNOVRSUFWJDM-JFIYKMOQSA-N	1	1	325.456	3.411	40	30		EGEBMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1	ZINC000245416628	455293076	/nfs/dbraw/zinc/29/30/76/455293076.db2.gz	FHQNOVRSUFWJDM-JFIYKMOQSA-N	1	1	325.456	3.411	40	30		EGEBMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1	ZINC000225603408	456097472	/nfs/dbraw/zinc/09/74/72/456097472.db2.gz	GPPXODPCJHRTLI-AWEZNQCLSA-N	1	1	344.459	3.421	40	30		EGEBMO
C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)Cc1ccco1	ZINC000049581337	526086226	/nfs/dbraw/zinc/08/62/26/526086226.db2.gz	IEZQKCRGZXVORB-INIZCTEOSA-N	1	1	325.412	3.215	40	30		EGEBMO
C=C1[C@@H](O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(C[N@@H+](CCO)C5)[C@@H]2C[C@@H]1CC3	ZINC000004104811	210120185	/nfs/dbraw/zinc/12/01/85/210120185.db2.gz	KNYGXNFGZONVKK-BZDFKLGJSA-N	1	1	345.527	3.214	40	30	biogenic,in-vitro	EGEBMO
C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000020503481	212141552	/nfs/dbraw/zinc/14/15/52/212141552.db2.gz	SASMTJDFDAHECY-AMBXGICCSA-N	1	1	345.446	3.372	40	30	biogenic,in-vitro	EGEBMO
C[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1	ZINC000004028568	452790851	/nfs/dbraw/zinc/79/08/51/452790851.db2.gz	HCQODXJXLKLAFK-UJXCDSABSA-N	1	1	347.499	3.245	40	30	biogenic	EGEBMO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000008300044	453187298	/nfs/dbraw/zinc/18/72/98/453187298.db2.gz	UVGODZFGOFTLTJ-OFQRWUPVSA-N	1	1	331.485	3.426	40	30	biogenic,in-vitro	EGEBMO
Cc1sc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)c(C#N)c1C	ZINC000096455912	454358364	/nfs/dbraw/zinc/35/83/64/454358364.db2.gz	RKJHVFCAGPDJTL-UHFFFAOYSA-N	1	1	335.473	3.065	40	30		EGEBMO
N#CC1(CCC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CCOCC1	ZINC000252490438	455812269	/nfs/dbraw/zinc/81/22/69/455812269.db2.gz	KTLDMWVWJZGKAU-SFHVURJKSA-N	1	1	332.419	3.379	40	30		EGEBMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000253433275	455848310	/nfs/dbraw/zinc/84/83/10/455848310.db2.gz	VAMYSVWZLGKCTF-RHSMWYFYSA-N	1	1	337.423	3.100	40	30		EGEBMO
N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216665	454307044	/nfs/dbraw/zinc/30/70/44/454307044.db2.gz	RDWLVYRULNZMBJ-OAQYLSRUSA-N	1	1	332.451	3.446	40	30		EGEBMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000187697530	534084962	/nfs/dbraw/zinc/08/49/62/534084962.db2.gz	JYKGSHPXKRJRNN-BBRMVZONSA-N	1	1	337.383	3.109	40	30		EGEBMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1	ZINC000025308526	453765520	/nfs/dbraw/zinc/76/55/20/453765520.db2.gz	LEYNECFAONOHFO-AZUAARDMSA-N	1	1	340.398	3.274	40	30		EGEBMO
C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1scnc1C)[C@H]2CC	ZINC000096038515	454265850	/nfs/dbraw/zinc/26/58/50/454265850.db2.gz	DBHCEGKKRZEEGF-WMZOPIPTSA-N	1	1	333.501	3.373	40	30		EGEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096214798	454306205	/nfs/dbraw/zinc/30/62/05/454306205.db2.gz	BHZLWAUEAVBSHW-LJQANCHMSA-N	1	1	329.444	3.344	40	30		EGEBMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000084116327	453970466	/nfs/dbraw/zinc/97/04/66/453970466.db2.gz	XLTFLMCXRPMORA-MRXNPFEDSA-N	1	1	339.464	3.214	40	30		EGEBMO
CC[C@@]1(C)C[C@](O)(CC/[NH+]=C/c2ccc(OC)c(OC)c2)CCO1	ZINC000100743010	454467466	/nfs/dbraw/zinc/46/74/66/454467466.db2.gz	JPFVAGVFSAETKK-YPFRYUKGSA-N	1	1	335.444	3.223	40	30	biogenic	EGEBMO
C[C@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)C1	ZINC000038550532	213215119	/nfs/dbraw/zinc/21/51/19/213215119.db2.gz	CSUXALKSMYDBAB-KXCZEBDGSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1	ZINC000252694013	296391358	/nfs/dbraw/zinc/39/13/58/296391358.db2.gz	HCQODXJXLKLAFK-BPOVIGQYSA-N	1	1	347.499	3.245	40	30	biogenic	EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12	ZINC000019703269	453658367	/nfs/dbraw/zinc/65/83/67/453658367.db2.gz	CNUKCRQWTYDAEH-YIZUQDSXSA-N	1	1	347.499	3.410	40	30	biogenic	EGEBMO
C[N@H+]1CCC[C@H](CNC(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000253369849	455834782	/nfs/dbraw/zinc/83/47/82/455834782.db2.gz	IUTFNYLRVBHGPW-CZUORRHYSA-N	1	1	339.361	3.118	40	30		EGEBMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1	ZINC000245237501	243100203	/nfs/dbraw/zinc/10/02/03/243100203.db2.gz	LEYNECFAONOHFO-ICSRJNTNSA-N	1	1	340.398	3.274	40	30		EGEBMO
CCOC(=O)[C@H](C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509768	453467358	/nfs/dbraw/zinc/46/73/58/453467358.db2.gz	ISTLFIQBNBWVQL-WBQJQJEBSA-N	1	1	328.456	3.278	40	30		EGEBMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000253433274	455848778	/nfs/dbraw/zinc/84/87/78/455848778.db2.gz	VAMYSVWZLGKCTF-PBHICJAKSA-N	1	1	337.423	3.100	40	30		EGEBMO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096071446	454279003	/nfs/dbraw/zinc/27/90/03/454279003.db2.gz	CKWNJAFSXQCNMY-OAQYLSRUSA-N	1	1	335.451	3.491	40	30		EGEBMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000081574382	453889561	/nfs/dbraw/zinc/88/95/61/453889561.db2.gz	FHQNOVRSUFWJDM-RYRKJORJSA-N	1	1	325.456	3.411	40	30		EGEBMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1	ZINC000081574382	453889566	/nfs/dbraw/zinc/88/95/66/453889566.db2.gz	FHQNOVRSUFWJDM-RYRKJORJSA-N	1	1	325.456	3.411	40	30		EGEBMO
C=C(C)C[NH+]1CCN(C(=O)c2ccnc3ccc(Cl)cc32)CC1	ZINC000057811671	454147903	/nfs/dbraw/zinc/14/79/03/454147903.db2.gz	ODFOCTITHGLMKW-UHFFFAOYSA-N	1	1	329.831	3.222	40	30		EGEBMO
C#CC[N@@H+](CC(=O)NCc1ccccc1F)[C@H]1CCc2ccccc21	ZINC000059017951	454251950	/nfs/dbraw/zinc/25/19/50/454251950.db2.gz	NIQLYUPKQZRNPR-FQEVSTJZSA-N	1	1	336.410	3.065	40	30		EGEBMO
C#CC[N@H+](CC(=O)NCc1ccccc1F)[C@H]1CCc2ccccc21	ZINC000059017951	454251955	/nfs/dbraw/zinc/25/19/55/454251955.db2.gz	NIQLYUPKQZRNPR-FQEVSTJZSA-N	1	1	336.410	3.065	40	30		EGEBMO
O/N=C1/CCC[C@@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000100977213	454468445	/nfs/dbraw/zinc/46/84/45/454468445.db2.gz	UEFYMYUOLITXNW-CPOQMQJTSA-N	1	1	327.350	3.210	40	30		EGEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1	ZINC000408582377	457582034	/nfs/dbraw/zinc/58/20/34/457582034.db2.gz	NHYUHUHXTSOOKD-UHFFFAOYSA-N	1	1	343.477	3.338	40	30		EGEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1	ZINC000408582377	457582041	/nfs/dbraw/zinc/58/20/41/457582041.db2.gz	NHYUHUHXTSOOKD-UHFFFAOYSA-N	1	1	343.477	3.338	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)c1	ZINC000229941493	536915792	/nfs/dbraw/zinc/91/57/92/536915792.db2.gz	LAKGZRJWGZDTEI-VLCRHTCISA-N	1	1	348.446	3.296	40	30		EGEBMO
N#CC1(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C2CC2)CCCC1	ZINC000007880183	283047914	/nfs/dbraw/zinc/04/79/14/283047914.db2.gz	MGYXWYIZLNTXDB-QGZVFWFLSA-N	1	1	329.469	3.010	40	30		EGEBMO
N#CC1(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C2CC2)CCCC1	ZINC000007880183	283047913	/nfs/dbraw/zinc/04/79/13/283047913.db2.gz	MGYXWYIZLNTXDB-QGZVFWFLSA-N	1	1	329.469	3.010	40	30		EGEBMO
C=CC[N@H+]1Cc2ccccc2C2(CCN(c3ccc(C)nn3)CC2)C1	ZINC000096079538	454279966	/nfs/dbraw/zinc/27/99/66/454279966.db2.gz	OAZCZZQOWOIUMI-UHFFFAOYSA-N	1	1	334.467	3.325	40	30		EGEBMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000330788830	457086176	/nfs/dbraw/zinc/08/61/76/457086176.db2.gz	YYBWXPFQASMJBD-DRMAHVMPSA-N	1	1	327.472	3.319	40	30		EGEBMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000330788830	457086178	/nfs/dbraw/zinc/08/61/78/457086178.db2.gz	YYBWXPFQASMJBD-DRMAHVMPSA-N	1	1	327.472	3.319	40	30		EGEBMO
Cc1ccc(S(=O)(=O)OC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000034464827	525621781	/nfs/dbraw/zinc/62/17/81/525621781.db2.gz	RBXGJNNTFJVRQU-GOSISDBHSA-N	1	1	345.464	3.222	40	30		EGEBMO
CC(C)N1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000097238396	219003058	/nfs/dbraw/zinc/00/30/58/219003058.db2.gz	WGXLYYFOBWQAJQ-UHFFFAOYSA-N	1	1	342.487	3.106	40	30		EGEBMO
COc1cccc([C@@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1	ZINC000013568925	453472891	/nfs/dbraw/zinc/47/28/91/453472891.db2.gz	KMCCQEQBARDROD-NYVOZVTQSA-N	1	1	348.446	3.296	40	30		EGEBMO
CCn1c2ccccc2nc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1	ZINC000119347619	454188043	/nfs/dbraw/zinc/18/80/43/454188043.db2.gz	KDBDICSHXHYSQH-CQSZACIVSA-N	1	1	347.422	3.217	40	30		EGEBMO
Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1	ZINC000328861959	456778066	/nfs/dbraw/zinc/77/80/66/456778066.db2.gz	FKEMOSBAOKRGQS-WBVHZDCISA-N	1	1	332.835	3.247	40	30		EGEBMO
Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1	ZINC000328861959	456778070	/nfs/dbraw/zinc/77/80/70/456778070.db2.gz	FKEMOSBAOKRGQS-WBVHZDCISA-N	1	1	332.835	3.247	40	30		EGEBMO
COc1cc(N[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000332360531	457355830	/nfs/dbraw/zinc/35/58/30/457355830.db2.gz	UXHNQNAJGZMBJB-ZMSDIMECSA-N	1	1	329.444	3.272	40	30		EGEBMO
C#CCOc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1	ZINC000072343271	216159827	/nfs/dbraw/zinc/15/98/27/216159827.db2.gz	MYEGPJTXVIVWPW-RTWAWAEBSA-N	1	1	346.430	3.242	40	30		EGEBMO
C[C@@H]1CC[C@H]2[C@@H](C[N@@H+]3CCC[C@H](C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000012862783	453418675	/nfs/dbraw/zinc/41/86/75/453418675.db2.gz	UVGULDLZIGGMGP-ULZWWYCSSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
C=C(C)CN(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000096496812	454370792	/nfs/dbraw/zinc/37/07/92/454370792.db2.gz	KPOYTSUONUNJDZ-CALCHBBNSA-N	1	1	345.487	3.013	40	30		EGEBMO
CCOC1CC2(C1)CC[N@@H+](CC(=O)N[C@@H]1CCOc3ccccc31)C2	ZINC000329194094	456851383	/nfs/dbraw/zinc/85/13/83/456851383.db2.gz	SRPQLCMHSGGHIZ-RYZJOYRSSA-N	1	1	344.455	3.358	40	30		EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12	ZINC000019703265	453658548	/nfs/dbraw/zinc/65/85/48/453658548.db2.gz	CNUKCRQWTYDAEH-RLJYVQKJSA-N	1	1	347.499	3.410	40	30	biogenic	EGEBMO
N#Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1	ZINC000108530939	454801139	/nfs/dbraw/zinc/80/11/39/454801139.db2.gz	CMUWENPYCUBDHO-CTNGQTDRSA-N	1	1	337.467	3.173	40	30		EGEBMO
CCOC1CC2(C1)CC[N@@H+](CC(=O)N[C@H]1CCOc3ccccc31)C2	ZINC000329194093	456851488	/nfs/dbraw/zinc/85/14/88/456851488.db2.gz	SRPQLCMHSGGHIZ-CMVHYPBASA-N	1	1	344.455	3.358	40	30		EGEBMO
Cn1cc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)cn1	ZINC000191792371	239301191	/nfs/dbraw/zinc/30/11/91/239301191.db2.gz	PCTKMYTVPKVCJD-ZDUSSCGKSA-N	1	1	345.244	3.044	40	30		EGEBMO
C=CCn1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c(C)n1	ZINC000019552308	212040359	/nfs/dbraw/zinc/04/03/59/212040359.db2.gz	VXLLUVJOXJTYNC-UHFFFAOYSA-N	1	1	340.471	3.098	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013774707	453488551	/nfs/dbraw/zinc/48/85/51/453488551.db2.gz	CLJGDQRPOPPOBX-QFKLZXOKSA-N	1	1	332.488	3.374	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013774707	453488558	/nfs/dbraw/zinc/48/85/58/453488558.db2.gz	CLJGDQRPOPPOBX-QFKLZXOKSA-N	1	1	332.488	3.374	40	30		EGEBMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528162	454259838	/nfs/dbraw/zinc/25/98/38/454259838.db2.gz	YYBWXPFQASMJBD-NNFUDEMPSA-N	1	1	327.472	3.319	40	30		EGEBMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046528162	454259842	/nfs/dbraw/zinc/25/98/42/454259842.db2.gz	YYBWXPFQASMJBD-NNFUDEMPSA-N	1	1	327.472	3.319	40	30		EGEBMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CCCCC1	ZINC000052011511	454647429	/nfs/dbraw/zinc/64/74/29/454647429.db2.gz	ICHYELRNKLMDTE-GOSISDBHSA-N	1	1	343.446	3.175	40	30		EGEBMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CCCCC1	ZINC000052011511	454647434	/nfs/dbraw/zinc/64/74/34/454647434.db2.gz	ICHYELRNKLMDTE-GOSISDBHSA-N	1	1	343.446	3.175	40	30		EGEBMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(CC#N)cc2)C1	ZINC000225728032	456106248	/nfs/dbraw/zinc/10/62/48/456106248.db2.gz	LWCGDSFJEXQZPG-IYBDPMFKSA-N	1	1	344.528	3.407	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1	ZINC000229941522	536916253	/nfs/dbraw/zinc/91/62/53/536916253.db2.gz	KMCCQEQBARDROD-VLCRHTCISA-N	1	1	348.446	3.296	40	30		EGEBMO
C=CC[NH+]1CCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)CC1	ZINC000067285164	215129721	/nfs/dbraw/zinc/12/97/21/215129721.db2.gz	JHPZOUJDDJVJJH-UHFFFAOYSA-N	1	1	347.466	3.321	40	30		EGEBMO
Cc1ccc(S(=O)(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000079436761	217225055	/nfs/dbraw/zinc/22/50/55/217225055.db2.gz	GGIFZIIHVRIOJJ-SFHVURJKSA-N	1	1	345.464	3.365	40	30		EGEBMO
Cc1ccc(S(=O)(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000079436761	217225057	/nfs/dbraw/zinc/22/50/57/217225057.db2.gz	GGIFZIIHVRIOJJ-SFHVURJKSA-N	1	1	345.464	3.365	40	30		EGEBMO
N#CCC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCOC1	ZINC000095407293	218344064	/nfs/dbraw/zinc/34/40/64/218344064.db2.gz	JJXABUNATOZOSS-ZDUSSCGKSA-N	1	1	341.224	3.340	40	30		EGEBMO
N#CCC[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCOC1	ZINC000095407293	218344065	/nfs/dbraw/zinc/34/40/65/218344065.db2.gz	JJXABUNATOZOSS-ZDUSSCGKSA-N	1	1	341.224	3.340	40	30		EGEBMO
C=C(Br)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1	ZINC000095431607	218373532	/nfs/dbraw/zinc/37/35/32/218373532.db2.gz	RFVWXWATNLPMOJ-UHFFFAOYSA-N	1	1	337.261	3.270	40	30		EGEBMO
CCNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2	ZINC000014162804	453512446	/nfs/dbraw/zinc/51/24/46/453512446.db2.gz	XCLGQRSIPSGFBJ-UHFFFAOYSA-N	1	1	340.452	3.319	40	30		EGEBMO
CCNC(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2	ZINC000014162804	453512449	/nfs/dbraw/zinc/51/24/49/453512449.db2.gz	XCLGQRSIPSGFBJ-UHFFFAOYSA-N	1	1	340.452	3.319	40	30		EGEBMO
N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H]23)c1	ZINC000096218523	454307811	/nfs/dbraw/zinc/30/78/11/454307811.db2.gz	RFHTWPWJVREYBS-BHIYHBOVSA-N	1	1	340.448	3.146	40	30		EGEBMO
CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000096496467	454370511	/nfs/dbraw/zinc/37/05/11/454370511.db2.gz	SYPCTGXFYPJNMY-MRXNPFEDSA-N	1	1	349.434	3.422	40	30		EGEBMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1	ZINC000245237502	243100720	/nfs/dbraw/zinc/10/07/20/243100720.db2.gz	LEYNECFAONOHFO-QUCCMNQESA-N	1	1	340.398	3.274	40	30		EGEBMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3C[C@@H]12	ZINC000012662148	453388940	/nfs/dbraw/zinc/38/89/40/453388940.db2.gz	WNVZVCLBASTOLF-HDZJJSNZSA-N	1	1	347.499	3.147	40	30		EGEBMO
CCOC(=O)[C@@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509771	453467995	/nfs/dbraw/zinc/46/79/95/453467995.db2.gz	ISTLFIQBNBWVQL-QXOCSCLMSA-N	1	1	328.456	3.278	40	30		EGEBMO
CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1	ZINC000089923009	454236526	/nfs/dbraw/zinc/23/65/26/454236526.db2.gz	JNVPZKZKNUGKRZ-UHFFFAOYSA-N	1	1	347.422	3.306	40	30		EGEBMO
CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1	ZINC000089923009	454236532	/nfs/dbraw/zinc/23/65/32/454236532.db2.gz	JNVPZKZKNUGKRZ-UHFFFAOYSA-N	1	1	347.422	3.306	40	30		EGEBMO
N#Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1	ZINC000079355819	217214343	/nfs/dbraw/zinc/21/43/43/217214343.db2.gz	LPDOLFPNEDJAAL-GOSISDBHSA-N	1	1	335.407	3.022	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)c1	ZINC000013568926	453473245	/nfs/dbraw/zinc/47/32/45/453473245.db2.gz	KMCCQEQBARDROD-YUXAGFNASA-N	1	1	348.446	3.296	40	30		EGEBMO
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H]([NH+]1CC1)CC1=CC(=O)CC[C@@]13C	ZINC000118917940	455116080	/nfs/dbraw/zinc/11/60/80/455116080.db2.gz	TVLJGVSJCIAMRD-YQUGOWONSA-N	1	1	329.484	3.173	40	30		EGEBMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1	ZINC000023450950	212378228	/nfs/dbraw/zinc/37/82/28/212378228.db2.gz	YQXIXLMLTSMVPM-UHFFFAOYSA-N	1	1	337.398	3.045	40	30		EGEBMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1	ZINC000023450950	212378230	/nfs/dbraw/zinc/37/82/30/212378230.db2.gz	YQXIXLMLTSMVPM-UHFFFAOYSA-N	1	1	337.398	3.045	40	30		EGEBMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000330788832	267134761	/nfs/dbraw/zinc/13/47/61/267134761.db2.gz	YYBWXPFQASMJBD-OLMMMNRUSA-N	1	1	327.472	3.319	40	30		EGEBMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000330788832	267134765	/nfs/dbraw/zinc/13/47/65/267134765.db2.gz	YYBWXPFQASMJBD-OLMMMNRUSA-N	1	1	327.472	3.319	40	30		EGEBMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000000235781	452543743	/nfs/dbraw/zinc/54/37/43/452543743.db2.gz	VECVVFWDMWKASS-SFWGKQECSA-N	1	1	339.233	3.322	40	30		EGEBMO
C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000030029695	453833665	/nfs/dbraw/zinc/83/36/65/453833665.db2.gz	CHHGOTZHUZOYOP-YVNCXZRQSA-N	1	1	331.419	3.087	40	30		EGEBMO
C[N@H+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000030029695	453833666	/nfs/dbraw/zinc/83/36/66/453833666.db2.gz	CHHGOTZHUZOYOP-YVNCXZRQSA-N	1	1	331.419	3.087	40	30		EGEBMO
N#CC1(CCC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CCOCC1	ZINC000252490437	455812288	/nfs/dbraw/zinc/81/22/88/455812288.db2.gz	KTLDMWVWJZGKAU-GOSISDBHSA-N	1	1	332.419	3.379	40	30		EGEBMO
C=C(Br)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000095431809	218373879	/nfs/dbraw/zinc/37/38/79/218373879.db2.gz	QRNQIIPHCYHDEK-UHFFFAOYSA-N	1	1	341.224	3.385	40	30		EGEBMO
C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000035299859	453923548	/nfs/dbraw/zinc/92/35/48/453923548.db2.gz	KALUDUFLRJNJBE-UHFFFAOYSA-N	1	1	336.435	3.209	40	30		EGEBMO
CC(C)[N@@H+](C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2	ZINC000096189466	454299663	/nfs/dbraw/zinc/29/96/63/454299663.db2.gz	DXSTWPTZQMJPOD-UHFFFAOYSA-N	1	1	334.467	3.352	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)c1	ZINC000229941480	536915968	/nfs/dbraw/zinc/91/59/68/536915968.db2.gz	LAKGZRJWGZDTEI-STZQEDGTSA-N	1	1	348.446	3.296	40	30		EGEBMO
C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000040013638	213250020	/nfs/dbraw/zinc/25/00/20/213250020.db2.gz	GXQSMQDVIZMXGE-KDOFPFPSSA-N	1	1	328.387	3.130	40	30		EGEBMO
Cc1ccc(S(=O)(=O)OC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000079436754	217225111	/nfs/dbraw/zinc/22/51/11/217225111.db2.gz	RVGMIUZKANUVAH-SFHVURJKSA-N	1	1	345.464	3.365	40	30		EGEBMO
N#Cc1ccc(CNC2CC[NH+](CCC(F)(F)F)CC2)c(F)c1	ZINC000180164287	455143128	/nfs/dbraw/zinc/14/31/28/455143128.db2.gz	STWUZVGZLFHDLX-UHFFFAOYSA-N	1	1	329.341	3.204	40	30		EGEBMO
C=CCn1cc(C[N@@H+]2CCCN(c3cccc(OC)c3)CC2)c(C)n1	ZINC000057811397	454148017	/nfs/dbraw/zinc/14/80/17/454148017.db2.gz	JHPSUOIQWLDNLY-UHFFFAOYSA-N	1	1	340.471	3.098	40	30		EGEBMO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1)C2	ZINC000107751856	454772537	/nfs/dbraw/zinc/77/25/37/454772537.db2.gz	WSIXJTYGUKJGEB-UXHICEINSA-N	1	1	331.456	3.269	40	30		EGEBMO
C#CCOc1cccc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1	ZINC000072343270	216158847	/nfs/dbraw/zinc/15/88/47/216158847.db2.gz	MYEGPJTXVIVWPW-LEWJYISDSA-N	1	1	346.430	3.242	40	30		EGEBMO
N#CC1(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1	ZINC000225992713	242086253	/nfs/dbraw/zinc/08/62/53/242086253.db2.gz	DQUGOCYDJJEDGP-UHFFFAOYSA-N	1	1	345.446	3.224	40	30		EGEBMO
COc1cccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568922	453471797	/nfs/dbraw/zinc/47/17/97/453471797.db2.gz	LAKGZRJWGZDTEI-YUXAGFNASA-N	1	1	348.446	3.296	40	30		EGEBMO
N#Cc1c(CN2CC[NH+](Cc3cccs3)CC2)cn2ccccc12	ZINC000025005009	453755098	/nfs/dbraw/zinc/75/50/98/453755098.db2.gz	ZMWICMKPUNCJNZ-UHFFFAOYSA-N	1	1	336.464	3.190	40	30		EGEBMO
CC(C)(CNC(=O)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000025459728	453773972	/nfs/dbraw/zinc/77/39/72/453773972.db2.gz	AEIRUEWMIMPHAM-UHFFFAOYSA-N	1	1	333.435	3.125	40	30		EGEBMO
C[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)C1	ZINC000004028552	210102963	/nfs/dbraw/zinc/10/29/63/210102963.db2.gz	CSUXALKSMYDBAB-QZSBMYPVSA-N	1	1	347.499	3.244	40	30	biogenic	EGEBMO
C=CC[NH+]1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1	ZINC000072396577	216193208	/nfs/dbraw/zinc/19/32/08/216193208.db2.gz	FENCOJMBNIKCQD-UHFFFAOYSA-N	1	1	336.395	3.305	40	30		EGEBMO
N#CCC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCOC1	ZINC000095407294	218344009	/nfs/dbraw/zinc/34/40/09/218344009.db2.gz	JJXABUNATOZOSS-CYBMUJFWSA-N	1	1	341.224	3.340	40	30		EGEBMO
N#CCC[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCOC1	ZINC000095407294	218344010	/nfs/dbraw/zinc/34/40/10/218344010.db2.gz	JJXABUNATOZOSS-CYBMUJFWSA-N	1	1	341.224	3.340	40	30		EGEBMO
Fc1cc(/C=[NH+]/NCc2ccc(Cl)cc2)ccc1N1CCOCC1	ZINC000010119166	453277971	/nfs/dbraw/zinc/27/79/71/453277971.db2.gz	CDIFQNJJOCETBT-LPYMAVHISA-N	1	1	347.821	3.439	40	30		EGEBMO
C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](c2ccccc2)C1	ZINC000030030496	453833502	/nfs/dbraw/zinc/83/35/02/453833502.db2.gz	YMXLTGGUHCCLLH-YVNCXZRQSA-N	1	1	331.419	3.087	40	30		EGEBMO
C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](c2ccccc2)C1	ZINC000030030496	453833503	/nfs/dbraw/zinc/83/35/03/453833503.db2.gz	YMXLTGGUHCCLLH-YVNCXZRQSA-N	1	1	331.419	3.087	40	30		EGEBMO
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C#N)c1ccc(F)cc1F	ZINC000073426106	454434890	/nfs/dbraw/zinc/43/48/90/454434890.db2.gz	STNFICGPIKOFLO-OAHLLOKOSA-N	1	1	332.354	3.056	40	30		EGEBMO
COc1cc(N[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000332360530	457355268	/nfs/dbraw/zinc/35/52/68/457355268.db2.gz	UXHNQNAJGZMBJB-UXLLHSPISA-N	1	1	329.444	3.272	40	30		EGEBMO
COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C3)nc2c1	ZINC000035446741	213029119	/nfs/dbraw/zinc/02/91/19/213029119.db2.gz	NOVKQCMPPSTATN-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
COc1ccc2nc([C@H]3CC[N@H+](Cc4cccc(C#N)c4)C3)[nH]c2c1	ZINC000035446741	213029123	/nfs/dbraw/zinc/02/91/23/213029123.db2.gz	NOVKQCMPPSTATN-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
COc1ccc2nc([C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C3)[nH]c2c1	ZINC000035446741	213029126	/nfs/dbraw/zinc/02/91/26/213029126.db2.gz	NOVKQCMPPSTATN-INIZCTEOSA-N	1	1	332.407	3.433	40	30	biogenic,in-vitro	EGEBMO
C[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1	ZINC000229994715	287355025	/nfs/dbraw/zinc/35/50/25/287355025.db2.gz	HCQODXJXLKLAFK-KJZYVHILSA-N	1	1	347.499	3.245	40	30	biogenic	EGEBMO
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000000341244	452566019	/nfs/dbraw/zinc/56/60/19/452566019.db2.gz	ISTLFIQBNBWVQL-JSFADZTLSA-N	1	1	328.456	3.278	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013774711	453488106	/nfs/dbraw/zinc/48/81/06/453488106.db2.gz	CLJGDQRPOPPOBX-CXVIAELPSA-N	1	1	332.488	3.374	40	30		EGEBMO
CC(C)Oc1ccc(/C=N/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013774711	453488111	/nfs/dbraw/zinc/48/81/11/453488111.db2.gz	CLJGDQRPOPPOBX-CXVIAELPSA-N	1	1	332.488	3.374	40	30		EGEBMO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1cccc3cccnc31)C2	ZINC000096071451	454278874	/nfs/dbraw/zinc/27/88/74/454278874.db2.gz	GNCLBDFLSICPHS-NRFANRHFSA-N	1	1	335.451	3.491	40	30		EGEBMO
C#CCOc1ccc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)cc1	ZINC000096423749	454337353	/nfs/dbraw/zinc/33/73/53/454337353.db2.gz	NZYQXISKCYNILC-UHFFFAOYSA-N	1	1	349.434	3.119	40	30		EGEBMO
N#Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc2c1=O	ZINC000193490488	240185526	/nfs/dbraw/zinc/18/55/26/240185526.db2.gz	ADPJPQWNFGEDIB-UHFFFAOYSA-N	1	1	340.386	3.166	40	30		EGEBMO
N#Cc1cccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1	ZINC000096187631	454300235	/nfs/dbraw/zinc/30/02/35/454300235.db2.gz	XOMMGOQSYXZOGZ-UHFFFAOYSA-N	1	1	341.418	3.011	40	30		EGEBMO
CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1	ZINC000096496469	454370572	/nfs/dbraw/zinc/37/05/72/454370572.db2.gz	SYPCTGXFYPJNMY-INIZCTEOSA-N	1	1	349.434	3.422	40	30		EGEBMO
CC[N@H+]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000091174772	454400680	/nfs/dbraw/zinc/40/06/80/454400680.db2.gz	NUQZTRCAOISTGH-UHFFFAOYSA-N	1	1	348.450	3.041	40	30		EGEBMO