smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208303	518987994	/nfs/dbraw/zinc/98/79/94/518987994.db2.gz	ADXGUACOANDCFF-NRFANRHFSA-N	1	1	439.556	4.347	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208303	518988003	/nfs/dbraw/zinc/98/80/03/518988003.db2.gz	ADXGUACOANDCFF-NRFANRHFSA-N	1	1	439.556	4.347	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146729	518988173	/nfs/dbraw/zinc/98/81/73/518988173.db2.gz	KTMSJFQUEBKWQO-PMACEKPBSA-N	1	1	432.923	4.038	50	30		IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1	ZINC000020573469	522069909	/nfs/dbraw/zinc/06/99/09/522069909.db2.gz	IIIJOUVCTJMMOQ-WIYYLYMNSA-N	1	1	433.533	4.024	50	30		IIEAMO
[NH2+]=C(NOC(=O)Nc1ccc(Cl)cc1)c1cccc(CS(=O)(=O)c2cccs2)c1	ZINC000013466049	526809072	/nfs/dbraw/zinc/80/90/72/526809072.db2.gz	WTKGAYSAPZZZHF-UHFFFAOYSA-N	1	1	449.941	4.244	50	30		IIEAMO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1	ZINC000022932612	557050856	/nfs/dbraw/zinc/05/08/56/557050856.db2.gz	KCMQPBQELFJUBP-UHFFFAOYSA-N	1	1	436.606	4.273	50	30		IIEAMO
CC[NH+](CC)CCOc1ccc2c(c1)C(=N[O-])c1cc(OCC[NH+](CC)CC)ccc1-2	ZINC000004737224	557057857	/nfs/dbraw/zinc/05/78/57/557057857.db2.gz	ZIOVESONCNMSKQ-UHFFFAOYSA-N	1	1	425.573	4.335	50	30		IIEAMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000014140678	557309505	/nfs/dbraw/zinc/30/95/05/557309505.db2.gz	ZQPJCNMHSBCFKC-LJQANCHMSA-N	1	1	437.565	4.435	50	30		IIEAMO
CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C#N)cc4)c3NC3CCCCC3)s2)CC1	ZINC000064746064	568949365	/nfs/dbraw/zinc/94/93/65/568949365.db2.gz	HGVZPHLRXSYRME-UHFFFAOYSA-N	1	1	435.601	4.216	50	30		IIEAMO
Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@@H]2C)c1	ZINC000252694764	569210970	/nfs/dbraw/zinc/21/09/70/569210970.db2.gz	PRAKNMCMUCYNKL-RGJMUJPESA-N	1	1	438.612	4.031	50	30	biogenic	IIEAMO
Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029402963	569430112	/nfs/dbraw/zinc/43/01/12/569430112.db2.gz	XLUFDWUTZDAYTG-UHFFFAOYSA-N	1	1	447.608	4.143	50	30		IIEAMO
Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029402963	569430114	/nfs/dbraw/zinc/43/01/14/569430114.db2.gz	XLUFDWUTZDAYTG-UHFFFAOYSA-N	1	1	447.608	4.143	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146566	518993646	/nfs/dbraw/zinc/99/36/46/518993646.db2.gz	DDYDPIWQLVBIQF-YADHBBJMSA-N	1	1	432.923	4.038	50	30		IIEAMO
Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)C3)C2)c1	ZINC000012373258	524394761	/nfs/dbraw/zinc/39/47/61/524394761.db2.gz	CLBVGSWOOJQMLW-MUUNZHRXSA-N	1	1	430.592	4.246	50	30		IIEAMO
Cc1cccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@H]2C)c1	ZINC000105374976	557496726	/nfs/dbraw/zinc/49/67/26/557496726.db2.gz	PRAKNMCMUCYNKL-YZEDZELWSA-N	1	1	438.612	4.031	50	30	biogenic	IIEAMO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662129	569160935	/nfs/dbraw/zinc/16/09/35/569160935.db2.gz	NLFRZRXEHVELJU-VQTJNVASSA-N	1	1	437.544	4.362	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662129	569160936	/nfs/dbraw/zinc/16/09/36/569160936.db2.gz	NLFRZRXEHVELJU-VQTJNVASSA-N	1	1	437.544	4.362	50	30		IIEAMO
Cc1cc2c(c3c1C(=O)/C(=C/c1cccnc1)O3)CN(C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CO2	ZINC000032502306	569461960	/nfs/dbraw/zinc/46/19/60/569461960.db2.gz	DSLAGUKRSMICTB-OWMCGEEFSA-N	1	1	445.563	4.423	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)CC1CC1	ZINC000036249746	518985794	/nfs/dbraw/zinc/98/57/94/518985794.db2.gz	WZGORHHKOYYXGT-NRFANRHFSA-N	1	1	431.552	4.102	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146699	518987866	/nfs/dbraw/zinc/98/78/66/518987866.db2.gz	ZBDMGJOULGVIKU-VXKWHMMOSA-N	1	1	432.923	4.038	50	30		IIEAMO
CCC[N@@H+]1CCc2c(sc3ncn4nc(CO/N=C/c5ccc(Cl)cc5)nc4c23)C1	ZINC000020567169	519864134	/nfs/dbraw/zinc/86/41/34/519864134.db2.gz	DKAQBQRCNPZVFK-YSURURNPSA-N	1	1	440.960	4.311	50	30		IIEAMO
CCC[N@H+]1CCc2c(sc3ncn4nc(CO/N=C/c5ccc(Cl)cc5)nc4c23)C1	ZINC000020567169	519864137	/nfs/dbraw/zinc/86/41/37/519864137.db2.gz	DKAQBQRCNPZVFK-YSURURNPSA-N	1	1	440.960	4.311	50	30		IIEAMO
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000012863319	525345232	/nfs/dbraw/zinc/34/52/32/525345232.db2.gz	MHXARIVPIJEABA-MOHLLJBMSA-N	1	1	425.544	4.442	50	30	biogenic	IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104985268	568623445	/nfs/dbraw/zinc/62/34/45/568623445.db2.gz	ZBDMGJOULGVIKU-FCHUYYIVSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1	ZINC000104985239	568838770	/nfs/dbraw/zinc/83/87/70/568838770.db2.gz	IJKRKHYEFVUPIY-VQTJNVASSA-N	1	1	432.923	4.038	50	30		IIEAMO
COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)C[N@@H+](C)CC3)cc1	ZINC000019889347	569331671	/nfs/dbraw/zinc/33/16/71/569331671.db2.gz	FJDKVNLPVCZSAY-UHFFFAOYSA-N	1	1	444.560	4.348	50	30		IIEAMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl	ZINC000058160115	569448831	/nfs/dbraw/zinc/44/88/31/569448831.db2.gz	NJQPQHSENVAAGS-MRXNPFEDSA-N	1	1	439.878	4.219	50	30		IIEAMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl	ZINC000058160115	569448832	/nfs/dbraw/zinc/44/88/32/569448832.db2.gz	NJQPQHSENVAAGS-MRXNPFEDSA-N	1	1	439.878	4.219	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1	ZINC000012206590	519330673	/nfs/dbraw/zinc/33/06/73/519330673.db2.gz	FIOFLGMCEYXYTM-UHFFFAOYSA-N	1	1	444.497	4.062	50	30		IIEAMO
CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055153586	521183388	/nfs/dbraw/zinc/18/33/88/521183388.db2.gz	CMTNLHALUZTZAX-RUZDIDTESA-N	1	1	443.584	4.398	50	30		IIEAMO
CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055153125	521184200	/nfs/dbraw/zinc/18/42/00/521184200.db2.gz	RHUUTPZJFVIJKQ-RUZDIDTESA-N	1	1	425.594	4.259	50	30		IIEAMO
CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(OC)cc3)=[NH+]CC)C2=O)cc1	ZINC000008396439	556163609	/nfs/dbraw/zinc/16/36/09/556163609.db2.gz	YRAVOOMZTIGPCV-HXUWFJFHSA-N	1	1	441.553	4.146	50	30		IIEAMO
N#Cc1ccc(CCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1	ZINC000072304629	556548933	/nfs/dbraw/zinc/54/89/33/556548933.db2.gz	GJRRHFWMLUNFRL-QFIPXVFZSA-N	1	1	429.486	4.404	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C	ZINC000104999334	568624037	/nfs/dbraw/zinc/62/40/37/568624037.db2.gz	CXSOETCBOVWZEO-JOCHJYFZSA-N	1	1	427.589	4.045	50	30		IIEAMO
COc1ccc(/C=N/c2ccc(OC[C@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)cc1OC	ZINC000027467190	569215169	/nfs/dbraw/zinc/21/51/69/569215169.db2.gz	USIKSQCKMHPQEF-MEMIJQFYSA-N	1	1	426.557	4.457	50	30		IIEAMO
COc1ccc(-c2nc(NCc3ccc(C[NH+]4CCCCC4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000040130017	569490220	/nfs/dbraw/zinc/49/02/20/569490220.db2.gz	DTEVHNXWARRVHR-UHFFFAOYSA-N	1	1	429.524	4.327	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036308281	518295981	/nfs/dbraw/zinc/29/59/81/518295981.db2.gz	FKEGEUDTRAAMTO-QFIPXVFZSA-N	1	1	433.552	4.102	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C	ZINC000036301588	518299519	/nfs/dbraw/zinc/29/95/19/518299519.db2.gz	GOAQSCKSTUZBQG-QFIPXVFZSA-N	1	1	433.552	4.101	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N(CC)CC	ZINC000036249759	518307923	/nfs/dbraw/zinc/30/79/23/518307923.db2.gz	QDKRBDZKKHYXGN-JOCHJYFZSA-N	1	1	445.579	4.186	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1	ZINC000036316047	518310686	/nfs/dbraw/zinc/31/06/86/518310686.db2.gz	KXJGAHNTXMHJCP-HSZRJFAPSA-N	1	1	445.563	4.163	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1	ZINC000036346364	518311356	/nfs/dbraw/zinc/31/13/56/518311356.db2.gz	SRNUYJKXGXBKMN-HSZRJFAPSA-N	1	1	449.526	4.087	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1	ZINC000036346364	518311363	/nfs/dbraw/zinc/31/13/63/518311363.db2.gz	SRNUYJKXGXBKMN-HSZRJFAPSA-N	1	1	449.526	4.087	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208304	518997026	/nfs/dbraw/zinc/99/70/26/518997026.db2.gz	ADXGUACOANDCFF-OAQYLSRUSA-N	1	1	439.556	4.347	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036208304	518997033	/nfs/dbraw/zinc/99/70/33/518997033.db2.gz	ADXGUACOANDCFF-OAQYLSRUSA-N	1	1	439.556	4.347	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000012864620	520493586	/nfs/dbraw/zinc/49/35/86/520493586.db2.gz	XACOJSKEQRDALU-WIAZEZMVSA-N	1	1	434.665	4.395	50	30	biogenic	IIEAMO
CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055153585	521358834	/nfs/dbraw/zinc/35/88/34/521358834.db2.gz	CMTNLHALUZTZAX-VWLOTQADSA-N	1	1	443.584	4.398	50	30		IIEAMO
C=C[C@](C)(O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1	ZINC000105004525	557471374	/nfs/dbraw/zinc/47/13/74/557471374.db2.gz	LCJOIPIYGOLCGS-DHLKQENFSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CCOc1ccccc1C[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NC1CC1	ZINC000011812937	568820909	/nfs/dbraw/zinc/82/09/09/568820909.db2.gz	ADQAATQHWPJPOF-YADHBBJMSA-N	1	1	426.557	4.404	50	30		IIEAMO
C=CCOc1ccccc1C[N@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NC1CC1	ZINC000011812937	568820910	/nfs/dbraw/zinc/82/09/10/568820910.db2.gz	ADQAATQHWPJPOF-YADHBBJMSA-N	1	1	426.557	4.404	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1	ZINC000014953374	568827927	/nfs/dbraw/zinc/82/79/27/568827927.db2.gz	QCLRMYPNSMHQSC-NOZRDPDXSA-N	1	1	434.555	4.075	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1	ZINC000104985236	568838683	/nfs/dbraw/zinc/83/86/83/568838683.db2.gz	IJKRKHYEFVUPIY-WOJBJXKFSA-N	1	1	432.923	4.038	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019831765	568855260	/nfs/dbraw/zinc/85/52/60/568855260.db2.gz	FSAPBHCMQLSYTE-UHFFFAOYSA-N	1	1	438.571	4.356	50	30		IIEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@H]2CCC[N@H+]3CCCC[C@H]23)c1C	ZINC000583647620	568889569	/nfs/dbraw/zinc/88/95/69/568889569.db2.gz	VTCKMNNPRGWZOQ-ILBGXUMGSA-N	1	1	444.664	4.138	50	30	biogenic	IIEAMO
C=C(C)C[N@H+](CC)Cc1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC	ZINC000045796246	518599696	/nfs/dbraw/zinc/59/96/96/518599696.db2.gz	IFHQLPZFIALOEH-ISKFKSNPSA-N	1	1	433.552	4.263	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O	ZINC000036309261	518752843	/nfs/dbraw/zinc/75/28/43/518752843.db2.gz	BDNQFDQXUBYBQW-AUSIDOKSSA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O	ZINC000036309261	518752848	/nfs/dbraw/zinc/75/28/48/518752848.db2.gz	BDNQFDQXUBYBQW-AUSIDOKSSA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146837	518989278	/nfs/dbraw/zinc/98/92/78/518989278.db2.gz	KMUXVMRTSXDUSP-SFTDATJTSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146837	518989284	/nfs/dbraw/zinc/98/92/84/518989284.db2.gz	KMUXVMRTSXDUSP-SFTDATJTSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146835	518996973	/nfs/dbraw/zinc/99/69/73/518996973.db2.gz	KMUXVMRTSXDUSP-RTWAWAEBSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146835	518996980	/nfs/dbraw/zinc/99/69/80/518996980.db2.gz	KMUXVMRTSXDUSP-RTWAWAEBSA-N	1	1	432.923	4.038	50	30		IIEAMO
CC[C@@H](C)[N@@H+](CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1cccs1	ZINC000064838204	522090354	/nfs/dbraw/zinc/09/03/54/522090354.db2.gz	FXXNOPKBXQOJIE-OAHLLOKOSA-N	1	1	426.611	4.171	50	30		IIEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c1C	ZINC000020685800	524666892	/nfs/dbraw/zinc/66/68/92/524666892.db2.gz	NRBIGVKIJBQPEA-CGWDDTNUSA-N	1	1	449.624	4.276	50	30		IIEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c1C	ZINC000020685800	524666899	/nfs/dbraw/zinc/66/68/99/524666899.db2.gz	NRBIGVKIJBQPEA-CGWDDTNUSA-N	1	1	449.624	4.276	50	30		IIEAMO
COc1ccc(/C=N/c2ccc(OC[C@@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)cc1OC	ZINC000004737196	557057934	/nfs/dbraw/zinc/05/79/34/557057934.db2.gz	USIKSQCKMHPQEF-KMWJIAIWSA-N	1	1	426.557	4.457	50	30		IIEAMO
CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000011874943	562979788	/nfs/dbraw/zinc/97/97/88/562979788.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	1	1	434.624	4.206	50	30		IIEAMO
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000011874943	562979789	/nfs/dbraw/zinc/97/97/89/562979789.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	1	1	434.624	4.206	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984674	568623641	/nfs/dbraw/zinc/62/36/41/568623641.db2.gz	DDYDPIWQLVBIQF-FGZHOGPDSA-N	1	1	432.923	4.038	50	30		IIEAMO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000004073124	568760293	/nfs/dbraw/zinc/76/02/93/568760293.db2.gz	MHXARIVPIJEABA-WCQONYCWSA-N	1	1	425.544	4.442	50	30	biogenic	IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1	ZINC000036316046	518299363	/nfs/dbraw/zinc/29/93/63/518299363.db2.gz	KXJGAHNTXMHJCP-QHCPKHFHSA-N	1	1	445.563	4.163	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1	ZINC000036145928	518988795	/nfs/dbraw/zinc/98/87/95/518988795.db2.gz	HOBNXCNEJOLUSS-VXKWHMMOSA-N	1	1	428.960	4.207	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146567	518988965	/nfs/dbraw/zinc/98/89/65/518988965.db2.gz	DDYDPIWQLVBIQF-VXKWHMMOSA-N	1	1	432.923	4.038	50	30		IIEAMO
CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012713539	521354030	/nfs/dbraw/zinc/35/40/30/521354030.db2.gz	FVQKTSWLELBTKQ-MHZLTWQESA-N	1	1	435.564	4.035	50	30		IIEAMO
COc1cc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1OC	ZINC000012998032	522191329	/nfs/dbraw/zinc/19/13/29/522191329.db2.gz	TZXBKFXGTWAYBM-UHFFFAOYSA-N	1	1	429.948	4.353	50	30		IIEAMO
COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1OC	ZINC000012998032	522191344	/nfs/dbraw/zinc/19/13/44/522191344.db2.gz	TZXBKFXGTWAYBM-UHFFFAOYSA-N	1	1	429.948	4.353	50	30		IIEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)c1C	ZINC000020685808	524666149	/nfs/dbraw/zinc/66/61/49/524666149.db2.gz	NRBIGVKIJBQPEA-ISYVKRDMSA-N	1	1	449.624	4.276	50	30		IIEAMO
CN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978905	/nfs/dbraw/zinc/97/89/05/562978905.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	1	1	425.016	4.460	50	30		IIEAMO
CN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978906	/nfs/dbraw/zinc/97/89/06/562978906.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	1	1	425.016	4.460	50	30		IIEAMO
C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978907	/nfs/dbraw/zinc/97/89/07/562978907.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	1	1	425.016	4.460	50	30		IIEAMO
C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978908	/nfs/dbraw/zinc/97/89/08/562978908.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	1	1	425.016	4.460	50	30		IIEAMO
C[N@H+]1CCc2nc(SCC(=O)OCc3ccccc3)c(C#N)c(-c3ccccc3)c2C1	ZINC000016382256	568886072	/nfs/dbraw/zinc/88/60/72/568886072.db2.gz	YITACYVWEFBXDA-UHFFFAOYSA-N	1	1	429.545	4.444	50	30		IIEAMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl	ZINC000058160116	569448839	/nfs/dbraw/zinc/44/88/39/569448839.db2.gz	NJQPQHSENVAAGS-INIZCTEOSA-N	1	1	439.878	4.219	50	30		IIEAMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl	ZINC000058160116	569448840	/nfs/dbraw/zinc/44/88/40/569448840.db2.gz	NJQPQHSENVAAGS-INIZCTEOSA-N	1	1	439.878	4.219	50	30		IIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@@H]12	ZINC000035363915	518660579	/nfs/dbraw/zinc/66/05/79/518660579.db2.gz	WTPYXBISXXLCCB-KBDYNSQWSA-N	1	1	425.569	4.376	50	30	biogenic	IIEAMO
CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(OCC)cc3)=[NH+]C)C2=O)cc1	ZINC000013370895	520384328	/nfs/dbraw/zinc/38/43/28/520384328.db2.gz	KOPXEYSUKDGYLY-HXUWFJFHSA-N	1	1	441.553	4.146	50	30		IIEAMO
Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)C3)C2)c1	ZINC000012373259	524397291	/nfs/dbraw/zinc/39/72/91/524397291.db2.gz	CLBVGSWOOJQMLW-NDEPHWFRSA-N	1	1	430.592	4.246	50	30		IIEAMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000023654117	557103406	/nfs/dbraw/zinc/10/34/06/557103406.db2.gz	BHJMAAQPPKYNHW-UHFFFAOYSA-N	1	1	448.007	4.184	50	30		IIEAMO
CC(N=NC1=NC(C)(C)Cc2ccccc21)=C(C)N[NH+]=C1NC(C)(C)Cc2ccccc21	ZINC000100503419	557411450	/nfs/dbraw/zinc/41/14/50/557411450.db2.gz	RDRJJMFJQKQHGO-QCOHSWCKSA-N	1	1	428.584	4.480	50	30		IIEAMO
C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N\O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O	ZINC000008681860	562961723	/nfs/dbraw/zinc/96/17/23/562961723.db2.gz	UVCZBQKGSYAGJD-JVNXOABYSA-N	1	1	444.660	4.147	50	30	biogenic	IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104984950	568623662	/nfs/dbraw/zinc/62/36/62/568623662.db2.gz	KMUXVMRTSXDUSP-LEWJYISDSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104984950	568623665	/nfs/dbraw/zinc/62/36/65/568623665.db2.gz	KMUXVMRTSXDUSP-LEWJYISDSA-N	1	1	432.923	4.038	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169678914	568990170	/nfs/dbraw/zinc/99/01/70/568990170.db2.gz	XKQMEADLIKYDSS-JTHBVZDNSA-N	1	1	447.579	4.491	50	30		IIEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)c(-c3ccccc3)c2C1	ZINC000020230592	569356996	/nfs/dbraw/zinc/35/69/96/569356996.db2.gz	JMYGYFXUCQXKBL-UHFFFAOYSA-N	1	1	432.524	4.478	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1)c1cccs1	ZINC000027987558	569405320	/nfs/dbraw/zinc/40/53/20/569405320.db2.gz	YZQYFXVCZBAJOY-SIKLNZKXSA-N	1	1	448.544	4.335	50	30		IIEAMO
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000218471047	569458178	/nfs/dbraw/zinc/45/81/78/569458178.db2.gz	ZLCIJUUXZODSFU-UHFFFAOYSA-N	1	1	448.567	4.126	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036308688	518311343	/nfs/dbraw/zinc/31/13/43/518311343.db2.gz	AEJQSBSUTVAOMQ-XMMPIXPASA-N	1	1	445.563	4.196	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1	ZINC000036308223	518993398	/nfs/dbraw/zinc/99/33/98/518993398.db2.gz	VIWBFXZZAABGEH-JOCHJYFZSA-N	1	1	433.552	4.407	50	30		IIEAMO
COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)c1	ZINC000023153748	557028354	/nfs/dbraw/zinc/02/83/54/557028354.db2.gz	YCRQVOMZFKEHNM-UHFFFAOYSA-N	1	1	433.533	4.448	50	30		IIEAMO
COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)c1	ZINC000023153748	557028357	/nfs/dbraw/zinc/02/83/57/557028357.db2.gz	YCRQVOMZFKEHNM-UHFFFAOYSA-N	1	1	433.533	4.448	50	30		IIEAMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1	ZINC000023753981	557375581	/nfs/dbraw/zinc/37/55/81/557375581.db2.gz	FJJVYXIDASTJBY-UHFFFAOYSA-N	1	1	441.531	4.464	50	30		IIEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1	ZINC000023753981	557375586	/nfs/dbraw/zinc/37/55/86/557375586.db2.gz	FJJVYXIDASTJBY-UHFFFAOYSA-N	1	1	441.531	4.464	50	30		IIEAMO
CN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978838	/nfs/dbraw/zinc/97/88/38/562978838.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	1	1	425.016	4.460	50	30		IIEAMO
CN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978840	/nfs/dbraw/zinc/97/88/40/562978840.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	1	1	425.016	4.460	50	30		IIEAMO
C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978842	/nfs/dbraw/zinc/97/88/42/562978842.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	1	1	425.016	4.460	50	30		IIEAMO
C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978844	/nfs/dbraw/zinc/97/88/44/562978844.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	1	1	425.016	4.460	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104984944	568623527	/nfs/dbraw/zinc/62/35/27/568623527.db2.gz	KMUXVMRTSXDUSP-NHCUHLMSSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104984944	568623528	/nfs/dbraw/zinc/62/35/28/568623528.db2.gz	KMUXVMRTSXDUSP-NHCUHLMSSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)CCC	ZINC000169680160	568990835	/nfs/dbraw/zinc/99/08/35/568990835.db2.gz	AXEUTXHNOISXEP-NZQKXSOJSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)CCC	ZINC000169680160	568990836	/nfs/dbraw/zinc/99/08/36/568990836.db2.gz	AXEUTXHNOISXEP-NZQKXSOJSA-N	1	1	442.625	4.210	50	30		IIEAMO
COc1ccccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000009797653	132329301	/nfs/dbraw/zinc/32/93/01/132329301.db2.gz	ITQFCMWXVGPVEE-UHFFFAOYSA-N	1	1	438.597	4.048	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304832	518310764	/nfs/dbraw/zinc/31/07/64/518310764.db2.gz	DGLALZAVYLEFAH-XMMPIXPASA-N	1	1	445.563	4.257	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304832	518310771	/nfs/dbraw/zinc/31/07/71/518310771.db2.gz	DGLALZAVYLEFAH-XMMPIXPASA-N	1	1	445.563	4.257	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)CCC	ZINC000036309005	518749984	/nfs/dbraw/zinc/74/99/84/518749984.db2.gz	AXEUTXHNOISXEP-REWPJTCUSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)CCC	ZINC000036309005	518749992	/nfs/dbraw/zinc/74/99/92/518749992.db2.gz	AXEUTXHNOISXEP-REWPJTCUSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1	ZINC000036146586	518989361	/nfs/dbraw/zinc/98/93/61/518989361.db2.gz	JMINTAAOYOSRBR-GOTSBHOMSA-N	1	1	428.960	4.207	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1	ZINC000020573468	522007931	/nfs/dbraw/zinc/00/79/31/522007931.db2.gz	IIIJOUVCTJMMOQ-GHTZIAJQSA-N	1	1	433.533	4.024	50	30		IIEAMO
COc1cc(OC)c(OC)cc1/C=N/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000013617530	522820884	/nfs/dbraw/zinc/82/08/84/522820884.db2.gz	FKRWYFVVOIQDAM-VFCFBJKWSA-N	1	1	445.563	4.454	50	30		IIEAMO
C[NH+]1CCN([C@H]2/C(=N\C34CC5CC(CC(C5)C3)C4)N(c3ccccc3)C(=O)C2(C)C)CC1	ZINC000021152183	523921368	/nfs/dbraw/zinc/92/13/68/523921368.db2.gz	OEZKJDVBZYXMIP-SXHXIUBKSA-N	1	1	434.628	4.043	50	30		IIEAMO
COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949664	/nfs/dbraw/zinc/94/96/64/523949664.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	1	1	434.624	4.204	50	30		IIEAMO
COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949667	/nfs/dbraw/zinc/94/96/67/523949667.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	1	1	434.624	4.204	50	30		IIEAMO
N#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c(F)c1	ZINC000012843138	526601155	/nfs/dbraw/zinc/60/11/55/526601155.db2.gz	HCEBLAGJOIUCQB-UHFFFAOYSA-N	1	1	432.474	4.411	50	30		IIEAMO
C=CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000034716842	555866382	/nfs/dbraw/zinc/86/63/82/555866382.db2.gz	KGIYXPNGFMGHNB-NHCUHLMSSA-N	1	1	426.532	4.059	50	30		IIEAMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000014140680	557309559	/nfs/dbraw/zinc/30/95/59/557309559.db2.gz	ZQPJCNMHSBCFKC-IBGZPJMESA-N	1	1	437.565	4.435	50	30		IIEAMO
COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)c1	ZINC000023990265	557390073	/nfs/dbraw/zinc/39/00/73/557390073.db2.gz	BVZHIYGJYOYQEP-UHFFFAOYSA-N	1	1	441.535	4.007	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1	ZINC000104985118	568623592	/nfs/dbraw/zinc/62/35/92/568623592.db2.gz	JMINTAAOYOSRBR-DHIUTWEWSA-N	1	1	428.960	4.207	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000012037466	568821562	/nfs/dbraw/zinc/82/15/62/568821562.db2.gz	SRRQEPSWCJWXBI-UHFFFAOYSA-N	1	1	444.497	4.062	50	30		IIEAMO
Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)c1	ZINC000059415270	569461325	/nfs/dbraw/zinc/46/13/25/569461325.db2.gz	PRAKNMCMUCYNKL-ZTAZMSOLSA-N	1	1	438.612	4.031	50	30	biogenic	IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)CCC	ZINC000036309006	518751135	/nfs/dbraw/zinc/75/11/35/518751135.db2.gz	AXEUTXHNOISXEP-OFNKIYASSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)CCC	ZINC000036309006	518751140	/nfs/dbraw/zinc/75/11/40/518751140.db2.gz	AXEUTXHNOISXEP-OFNKIYASSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1C[N@H+](C)Cc1ccccc1	ZINC000035991801	518839222	/nfs/dbraw/zinc/83/92/22/518839222.db2.gz	VYMLFTAWXQTYFQ-DEOSSOPVSA-N	1	1	433.552	4.197	50	30		IIEAMO
C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1C[N@@H+](C)Cc1ccccc1	ZINC000035991801	518839228	/nfs/dbraw/zinc/83/92/28/518839228.db2.gz	VYMLFTAWXQTYFQ-DEOSSOPVSA-N	1	1	433.552	4.197	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000105006827	557471651	/nfs/dbraw/zinc/47/16/51/557471651.db2.gz	XKQMEADLIKYDSS-FYYLOGMGSA-N	1	1	447.579	4.491	50	30		IIEAMO
O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccccc3C#Cc3ccccc3)[N@H+]3CCC[C@@]123	ZINC000012306566	562981049	/nfs/dbraw/zinc/98/10/49/562981049.db2.gz	BVZMDKSFUGHPNM-RWPDHJIBSA-N	1	1	433.555	4.419	50	30		IIEAMO
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753630	568820582	/nfs/dbraw/zinc/82/05/82/568820582.db2.gz	YKQDVSLPDHMZTB-QFIPXVFZSA-N	1	1	440.653	4.266	50	30		IIEAMO
COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1	ZINC000011753631	568820615	/nfs/dbraw/zinc/82/06/15/568820615.db2.gz	YKQDVSLPDHMZTB-JOCHJYFZSA-N	1	1	440.653	4.266	50	30		IIEAMO
N#Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c(F)c1	ZINC000016362067	568878862	/nfs/dbraw/zinc/87/88/62/568878862.db2.gz	HNJSXCYYBSEMJI-UHFFFAOYSA-N	1	1	432.474	4.411	50	30		IIEAMO
N#Cc1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1	ZINC000217598482	569449737	/nfs/dbraw/zinc/44/97/37/569449737.db2.gz	SNLKJVKTGAOMAV-SANMLTNESA-N	1	1	431.580	4.163	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C	ZINC000036316032	518299462	/nfs/dbraw/zinc/29/94/62/518299462.db2.gz	VPQMLOQTIWYRIS-QHCPKHFHSA-N	1	1	447.579	4.409	50	30		IIEAMO
CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012713535	521180727	/nfs/dbraw/zinc/18/07/27/521180727.db2.gz	FVQKTSWLELBTKQ-HHHXNRCGSA-N	1	1	435.564	4.035	50	30		IIEAMO
COc1cccc(/C=C2\Oc3c(cc(C[NH2+]Cc4ccncc4)c(O)c3C)C2=O)c1OC	ZINC000057312266	525765973	/nfs/dbraw/zinc/76/59/73/525765973.db2.gz	FRXFUEZTTIRNGJ-MTJSOVHGSA-N	1	1	432.476	4.019	50	30		IIEAMO
Cc1c(NC(=O)ONC(=[NH2+])c2ccccc2)sc2nc(-c3ccc(Cl)cc3)nn12	ZINC000012369843	525851741	/nfs/dbraw/zinc/85/17/41/525851741.db2.gz	PLYHVSQBTFYXBU-UHFFFAOYSA-N	1	1	426.889	4.289	50	30		IIEAMO
[NH2+]=C(NOC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(C(F)(F)F)cc1	ZINC000013658048	526810006	/nfs/dbraw/zinc/81/00/06/526810006.db2.gz	VIKGKQJHOOOBOY-UHFFFAOYSA-N	1	1	442.319	4.387	50	30		IIEAMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1	ZINC000019818293	556920710	/nfs/dbraw/zinc/92/07/10/556920710.db2.gz	JUQUSAUEQPLYHF-YZSQISJMSA-N	1	1	444.491	4.359	50	30		IIEAMO
C=C(C)C[N@H+](CC)Cc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC	ZINC000101250727	568853665	/nfs/dbraw/zinc/85/36/65/568853665.db2.gz	IFHQLPZFIALOEH-LADGPHEKSA-N	1	1	433.552	4.263	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662133	569160942	/nfs/dbraw/zinc/16/09/42/569160942.db2.gz	NLFRZRXEHVELJU-WOJBJXKFSA-N	1	1	437.544	4.362	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662133	569160943	/nfs/dbraw/zinc/16/09/43/569160943.db2.gz	NLFRZRXEHVELJU-WOJBJXKFSA-N	1	1	437.544	4.362	50	30		IIEAMO
Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)n1	ZINC000020440702	569365627	/nfs/dbraw/zinc/36/56/27/569365627.db2.gz	BEOJJMVHFPELKG-UHFFFAOYSA-N	1	1	435.578	4.007	50	30		IIEAMO
Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)n1	ZINC000020440702	569365628	/nfs/dbraw/zinc/36/56/28/569365628.db2.gz	BEOJJMVHFPELKG-UHFFFAOYSA-N	1	1	435.578	4.007	50	30		IIEAMO
C=CCn1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1ccc(C)cc1	ZINC000096292100	569391264	/nfs/dbraw/zinc/39/12/64/569391264.db2.gz	TXEBFPOQAVAQHS-UHFFFAOYSA-N	1	1	447.608	4.119	50	30		IIEAMO
Cc1sc2nc(CN3CCCC3)nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1C	ZINC000008727513	132292284	/nfs/dbraw/zinc/29/22/84/132292284.db2.gz	AVYIGPLBJXCRMF-UHFFFAOYSA-N	1	1	446.624	4.098	50	30		IIEAMO
C=C[C@@](C)(O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1	ZINC000036310243	519297297	/nfs/dbraw/zinc/29/72/97/519297297.db2.gz	LCJOIPIYGOLCGS-WIOPSUGQSA-N	1	1	442.625	4.210	50	30		IIEAMO
CC[C@H](C)[N@@H+](CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1cccs1	ZINC000064838207	523936359	/nfs/dbraw/zinc/93/63/59/523936359.db2.gz	FXXNOPKBXQOJIE-HNNXBMFYSA-N	1	1	426.611	4.171	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O	ZINC000105003835	557470897	/nfs/dbraw/zinc/47/08/97/557470897.db2.gz	BDNQFDQXUBYBQW-CVDCTZTESA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O	ZINC000105003835	557470899	/nfs/dbraw/zinc/47/08/99/557470899.db2.gz	BDNQFDQXUBYBQW-CVDCTZTESA-N	1	1	442.625	4.245	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073379	568760413	/nfs/dbraw/zinc/76/04/13/568760413.db2.gz	XACOJSKEQRDALU-WJXVZKHPSA-N	1	1	434.665	4.395	50	30	biogenic	IIEAMO
Cc1noc(C)c1C[N@@H+](C)CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1	ZINC000095456834	569368911	/nfs/dbraw/zinc/36/89/11/569368911.db2.gz	RUJZHYZNBHEVCL-UHFFFAOYSA-N	1	1	434.515	4.353	50	30		IIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@H]12	ZINC000004088964	569458813	/nfs/dbraw/zinc/45/88/13/569458813.db2.gz	WTPYXBISXXLCCB-QCWXEWEASA-N	1	1	425.569	4.376	50	30	biogenic	IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036308563	518309059	/nfs/dbraw/zinc/30/90/59/518309059.db2.gz	QOOYBFCTUGUQJT-HSZRJFAPSA-N	1	1	433.552	4.196	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306417	518310247	/nfs/dbraw/zinc/31/02/47/518310247.db2.gz	ARBISEOUAOBCSQ-HSZRJFAPSA-N	1	1	447.579	4.409	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C	ZINC000036301592	518311004	/nfs/dbraw/zinc/31/10/04/518311004.db2.gz	GOAQSCKSTUZBQG-JOCHJYFZSA-N	1	1	433.552	4.101	50	30		IIEAMO
CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(-c4ccc(C#N)cc4)o2)CC3)CC1	ZINC000020889523	521045604	/nfs/dbraw/zinc/04/56/04/521045604.db2.gz	CTAJXHAYSQEIFW-UHFFFAOYSA-N	1	1	429.524	4.108	50	30		IIEAMO
[NH2+]=C(NOC(=O)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1)c1ccc(Cl)cc1	ZINC000012369911	526805430	/nfs/dbraw/zinc/80/54/30/526805430.db2.gz	YSYSVLFBPPWXDL-UHFFFAOYSA-N	1	1	449.816	4.046	50	30		IIEAMO
Cn1nc(C(F)(F)F)c2cc(C(=O)ONC(=[NH2+])c3ccc(C(F)(F)F)cc3)sc21	ZINC000008618119	556192839	/nfs/dbraw/zinc/19/28/39/556192839.db2.gz	VSFPPJJOEZCNTG-UHFFFAOYSA-N	1	1	436.337	4.150	50	30		IIEAMO
N#Cc1ccc(CCC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1	ZINC000072304630	556548785	/nfs/dbraw/zinc/54/87/85/556548785.db2.gz	GJRRHFWMLUNFRL-JOCHJYFZSA-N	1	1	429.486	4.404	50	30		IIEAMO
Cc1nnc(=O)[nH]c1N[NH+]=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000011666792	557301062	/nfs/dbraw/zinc/30/10/62/557301062.db2.gz	FLWHMGQOEZGBFQ-VNSNFZHPSA-N	1	1	449.518	4.275	50	30		IIEAMO
C=CCC[C@@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000105003057	557470130	/nfs/dbraw/zinc/47/01/30/557470130.db2.gz	AXOYKXGUTXAZAK-NFBKMPQASA-N	1	1	442.625	4.292	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104984893	568623425	/nfs/dbraw/zinc/62/34/25/568623425.db2.gz	KTMSJFQUEBKWQO-VQTJNVASSA-N	1	1	432.923	4.038	50	30		IIEAMO
CC[NH+]1CCN(c2oc(-c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)nc2C#N)CC1	ZINC000036367127	569087109	/nfs/dbraw/zinc/08/71/09/569087109.db2.gz	GLXSSYAFNDOVLO-UHFFFAOYSA-N	1	1	440.503	4.437	50	30		IIEAMO
COc1ccc(/C=C/c2nc(C#N)c(N3CC[NH+](Cc4ccccc4)CC3)o2)cc1OC	ZINC000016768435	569161379	/nfs/dbraw/zinc/16/13/79/569161379.db2.gz	NKGCGVQWEWPVPW-PKNBQFBNSA-N	1	1	430.508	4.056	50	30		IIEAMO
COc1ccc([C@](C#N)(CCC[NH+]2CCN(C(=O)c3ccccc3)CC2)C(C)C)cc1OC	ZINC000025761256	569181818	/nfs/dbraw/zinc/18/18/18/569181818.db2.gz	JHTFVXYZUHSBMX-MHZLTWQESA-N	1	1	449.595	4.359	50	30		IIEAMO
C=CCC[C@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000245325571	569503594	/nfs/dbraw/zinc/50/35/94/569503594.db2.gz	AXOYKXGUTXAZAK-NZQKXSOJSA-N	1	1	442.625	4.292	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306497	518297593	/nfs/dbraw/zinc/29/75/93/518297593.db2.gz	CVJWYTGLKWDKDA-QHCPKHFHSA-N	1	1	447.579	4.411	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306414	518300191	/nfs/dbraw/zinc/30/01/91/518300191.db2.gz	ARBISEOUAOBCSQ-QHCPKHFHSA-N	1	1	447.579	4.409	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1	ZINC000036308685	518303630	/nfs/dbraw/zinc/30/36/30/518303630.db2.gz	AEJQSBSUTVAOMQ-DEOSSOPVSA-N	1	1	445.563	4.196	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306499	518307439	/nfs/dbraw/zinc/30/74/39/518307439.db2.gz	CVJWYTGLKWDKDA-HSZRJFAPSA-N	1	1	447.579	4.411	50	30		IIEAMO
C=CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000034716840	555866433	/nfs/dbraw/zinc/86/64/33/555866433.db2.gz	KGIYXPNGFMGHNB-RTWAWAEBSA-N	1	1	426.532	4.059	50	30		IIEAMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000072305182	556550193	/nfs/dbraw/zinc/55/01/93/556550193.db2.gz	HCVJWVHWXSTPRR-UHFFFAOYSA-N	1	1	438.547	4.072	50	30		IIEAMO
O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000020158680	556993343	/nfs/dbraw/zinc/99/33/43/556993343.db2.gz	BQMFNMQHRQWCPM-FVDSYPCUSA-N	1	1	428.511	4.068	50	30		IIEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(OCC)cc3)=[NH+]C)C2=O)cc1	ZINC000100567310	557265063	/nfs/dbraw/zinc/26/50/63/557265063.db2.gz	KOPXEYSUKDGYLY-FQEVSTJZSA-N	1	1	441.553	4.146	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984676	568623637	/nfs/dbraw/zinc/62/36/37/568623637.db2.gz	DDYDPIWQLVBIQF-FCHUYYIVSA-N	1	1	432.923	4.038	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)Cc4cccc(F)c4)CC[C@@H]32)cc1	ZINC000014988989	568827800	/nfs/dbraw/zinc/82/78/00/568827800.db2.gz	YQXRNTHPKVNHSN-RSXGOPAZSA-N	1	1	448.582	4.004	50	30		IIEAMO
C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[NH+](Cc3ccsc3)CC2)c1=S	ZINC000023250898	568859401	/nfs/dbraw/zinc/85/94/01/568859401.db2.gz	ITHSRQYNQCLYBR-UHFFFAOYSA-N	1	1	429.590	4.243	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1	ZINC000169680040	568990589	/nfs/dbraw/zinc/99/05/89/568990589.db2.gz	JMINTAAOYOSRBR-PKTZIBPZSA-N	1	1	428.960	4.207	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)CCC	ZINC000169677914	568990618	/nfs/dbraw/zinc/99/06/18/568990618.db2.gz	DVEXCVLMXZPABK-SIKLNZKXSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)CCC	ZINC000169677914	568990619	/nfs/dbraw/zinc/99/06/19/568990619.db2.gz	DVEXCVLMXZPABK-SIKLNZKXSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C	ZINC000328592557	569317155	/nfs/dbraw/zinc/31/71/55/569317155.db2.gz	AOPIMJKZABISRV-MRXNPFEDSA-N	1	1	440.598	4.295	50	30		IIEAMO
CCOC(=O)c1cc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccccc1	ZINC000004501552	132272165	/nfs/dbraw/zinc/27/21/65/132272165.db2.gz	PRULFPZPVWWKGR-UHFFFAOYSA-N	1	1	426.520	4.119	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036308283	518307710	/nfs/dbraw/zinc/30/77/10/518307710.db2.gz	FKEGEUDTRAAMTO-JOCHJYFZSA-N	1	1	433.552	4.102	50	30		IIEAMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1	ZINC000036167724	518688616	/nfs/dbraw/zinc/68/86/16/518688616.db2.gz	FGTWVNNCCXBLNQ-UHFFFAOYSA-N	1	1	428.548	4.093	50	30		IIEAMO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1	ZINC000036167724	518688622	/nfs/dbraw/zinc/68/86/22/518688622.db2.gz	FGTWVNNCCXBLNQ-UHFFFAOYSA-N	1	1	428.548	4.093	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1	ZINC000036249884	518982668	/nfs/dbraw/zinc/98/26/68/518982668.db2.gz	XKQQXOXSAUTKSQ-QFIPXVFZSA-N	1	1	427.589	4.353	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146698	518993550	/nfs/dbraw/zinc/99/35/50/518993550.db2.gz	ZBDMGJOULGVIKU-YADHBBJMSA-N	1	1	432.923	4.038	50	30		IIEAMO
Cc1cc2c(c3c1C(=O)/C(=C\c1cccnc1)O3)CN(C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CO2	ZINC000020761495	525589083	/nfs/dbraw/zinc/58/90/83/525589083.db2.gz	DSLAGUKRSMICTB-ROZQTZPBSA-N	1	1	445.563	4.423	50	30	biogenic	IIEAMO
CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(C)c(C)c3)=[NH+]C)C2=O)cc1	ZINC000006078087	568821411	/nfs/dbraw/zinc/82/14/11/568821411.db2.gz	QWOGUGSKXWQHPI-HXUWFJFHSA-N	1	1	425.554	4.364	50	30		IIEAMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000089361347	568921204	/nfs/dbraw/zinc/92/12/04/568921204.db2.gz	VHTDGRUUGOPEOJ-HXUWFJFHSA-N	1	1	436.625	4.424	50	30		IIEAMO
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(C(=O)c3ccccc3)CC2)C(C)C)cc1OC	ZINC000025761260	569181893	/nfs/dbraw/zinc/18/18/93/569181893.db2.gz	JHTFVXYZUHSBMX-HHHXNRCGSA-N	1	1	449.595	4.359	50	30		IIEAMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C	ZINC000328592556	569317230	/nfs/dbraw/zinc/31/72/30/569317230.db2.gz	AOPIMJKZABISRV-INIZCTEOSA-N	1	1	440.598	4.295	50	30		IIEAMO
C=C[C@](C)(O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1	ZINC000230112162	569438293	/nfs/dbraw/zinc/43/82/93/569438293.db2.gz	LCJOIPIYGOLCGS-RDGATRHJSA-N	1	1	442.625	4.210	50	30		IIEAMO
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000032195435	569460691	/nfs/dbraw/zinc/46/06/91/569460691.db2.gz	HOZJBVRXYVDASR-UHFFFAOYSA-N	1	1	435.593	4.474	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308084	518300681	/nfs/dbraw/zinc/30/06/81/518300681.db2.gz	LJSDHBJJOBZTBO-QHCPKHFHSA-N	1	1	447.579	4.348	50	30		IIEAMO
C=C(C)C[N@H+](CC)Cc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC	ZINC000045796247	518599484	/nfs/dbraw/zinc/59/94/84/518599484.db2.gz	IFHQLPZFIALOEH-VWNXMTODSA-N	1	1	433.552	4.263	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(C)C	ZINC000036151098	518985930	/nfs/dbraw/zinc/98/59/30/518985930.db2.gz	BJVSQLFLFQEZCV-QFIPXVFZSA-N	1	1	427.589	4.353	50	30		IIEAMO
CC[NH+]=C(Nc1ccc(C)c(C)c1)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000095531862	521508631	/nfs/dbraw/zinc/50/86/31/521508631.db2.gz	IFFQKEHJPJXTKF-FQEVSTJZSA-N	1	1	425.554	4.364	50	30		IIEAMO
COc1c2c(cc3c1[C@@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)[N@@H+](C)CC3)OCO2	ZINC000033933797	556742801	/nfs/dbraw/zinc/74/28/01/556742801.db2.gz	GDGOCISBYQZCJR-VXCWRXKNSA-N	1	1	426.513	4.203	50	30	biogenic	IIEAMO
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@H+](CCc1ccccc1)C2	ZINC000019907676	563023225	/nfs/dbraw/zinc/02/32/25/563023225.db2.gz	GJGIORQFSOWFRW-UHFFFAOYSA-N	1	1	446.601	4.347	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104984887	568623616	/nfs/dbraw/zinc/62/36/16/568623616.db2.gz	KTMSJFQUEBKWQO-WOJBJXKFSA-N	1	1	432.923	4.038	50	30		IIEAMO
C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000089361351	568921180	/nfs/dbraw/zinc/92/11/80/568921180.db2.gz	VHTDGRUUGOPEOJ-FQEVSTJZSA-N	1	1	436.625	4.424	50	30		IIEAMO
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000020033446	569332434	/nfs/dbraw/zinc/33/24/34/569332434.db2.gz	LPTBIQZEKKDTEQ-UHFFFAOYSA-N	1	1	432.574	4.305	50	30		IIEAMO
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000020033446	569332435	/nfs/dbraw/zinc/33/24/35/569332435.db2.gz	LPTBIQZEKKDTEQ-UHFFFAOYSA-N	1	1	432.574	4.305	50	30		IIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@@H]12	ZINC000004088963	569458779	/nfs/dbraw/zinc/45/87/79/569458779.db2.gz	WTPYXBISXXLCCB-WGFBCYIXSA-N	1	1	425.569	4.376	50	30	biogenic	IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036308560	518298307	/nfs/dbraw/zinc/29/83/07/518298307.db2.gz	QOOYBFCTUGUQJT-QHCPKHFHSA-N	1	1	433.552	4.196	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C	ZINC000036316033	518311046	/nfs/dbraw/zinc/31/10/46/518311046.db2.gz	VPQMLOQTIWYRIS-HSZRJFAPSA-N	1	1	447.579	4.409	50	30		IIEAMO
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022810929	518780021	/nfs/dbraw/zinc/78/00/21/518780021.db2.gz	PFRNLCXULKGIHJ-QGZVFWFLSA-N	1	1	439.050	4.149	50	30		IIEAMO
C=C[C@@](C)(O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1	ZINC000036310245	519298252	/nfs/dbraw/zinc/29/82/52/519298252.db2.gz	LCJOIPIYGOLCGS-RCZVLFRGSA-N	1	1	442.625	4.210	50	30		IIEAMO
COc1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC	ZINC000019771356	556913140	/nfs/dbraw/zinc/91/31/40/556913140.db2.gz	XDBDAVGZXUSRPG-VFCFBJKWSA-N	1	1	445.563	4.454	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12	ZINC000253488104	569283232	/nfs/dbraw/zinc/28/32/32/569283232.db2.gz	XACOJSKEQRDALU-XLRMEXJBSA-N	1	1	434.665	4.395	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1	ZINC000036346038	518309968	/nfs/dbraw/zinc/30/99/68/518309968.db2.gz	FXGAODOZEQFFQP-JOCHJYFZSA-N	1	1	449.526	4.087	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1	ZINC000036346038	518309975	/nfs/dbraw/zinc/30/99/75/518309975.db2.gz	FXGAODOZEQFFQP-JOCHJYFZSA-N	1	1	449.526	4.087	50	30		IIEAMO
C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1C[N@H+](C)Cc1ccccc1	ZINC000035991800	518840557	/nfs/dbraw/zinc/84/05/57/518840557.db2.gz	VYMLFTAWXQTYFQ-XMMPIXPASA-N	1	1	433.552	4.197	50	30		IIEAMO
C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1C[N@@H+](C)Cc1ccccc1	ZINC000035991800	518840563	/nfs/dbraw/zinc/84/05/63/518840563.db2.gz	VYMLFTAWXQTYFQ-XMMPIXPASA-N	1	1	433.552	4.197	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1	ZINC000020589282	522010153	/nfs/dbraw/zinc/01/01/53/522010153.db2.gz	IGVJVLUENUGMHX-GHTZIAJQSA-N	1	1	433.533	4.024	50	30		IIEAMO
COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948373	/nfs/dbraw/zinc/94/83/73/523948373.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	1	1	434.624	4.204	50	30		IIEAMO
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948374	/nfs/dbraw/zinc/94/83/74/523948374.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	1	1	434.624	4.204	50	30		IIEAMO
C=CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000034716841	555866390	/nfs/dbraw/zinc/86/63/90/555866390.db2.gz	KGIYXPNGFMGHNB-SFTDATJTSA-N	1	1	426.532	4.059	50	30		IIEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C	ZINC000583647625	557241200	/nfs/dbraw/zinc/24/12/00/557241200.db2.gz	VTCKMNNPRGWZOQ-NOZRDPDXSA-N	1	1	444.664	4.138	50	30	biogenic	IIEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[NH+]3CCCCCC3)C2=O)c1C	ZINC000102785059	557388143	/nfs/dbraw/zinc/38/81/43/557388143.db2.gz	YLNMXZRWVIOUQQ-ROMGYVFFSA-N	1	1	435.597	4.174	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662130	569160929	/nfs/dbraw/zinc/16/09/29/569160929.db2.gz	NLFRZRXEHVELJU-PMACEKPBSA-N	1	1	437.544	4.362	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662130	569160930	/nfs/dbraw/zinc/16/09/30/569160930.db2.gz	NLFRZRXEHVELJU-PMACEKPBSA-N	1	1	437.544	4.362	50	30		IIEAMO
CN(C(=S)NC(=O)c1ccccc1)c1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2	ZINC000020100267	569333794	/nfs/dbraw/zinc/33/37/94/569333794.db2.gz	VQJHHCOFBIYDRQ-UHFFFAOYSA-N	1	1	446.601	4.329	50	30		IIEAMO
CN(C(=S)NC(=O)c1ccccc1)c1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2	ZINC000020100267	569333795	/nfs/dbraw/zinc/33/37/95/569333795.db2.gz	VQJHHCOFBIYDRQ-UHFFFAOYSA-N	1	1	446.601	4.329	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036316311	518307451	/nfs/dbraw/zinc/30/74/51/518307451.db2.gz	HOQPHPVGIVURPH-HSZRJFAPSA-N	1	1	447.579	4.450	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306464	518309906	/nfs/dbraw/zinc/30/99/06/518309906.db2.gz	IXBIJXRQRXIAQS-HSZRJFAPSA-N	1	1	445.563	4.163	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(C)C	ZINC000036151102	518993522	/nfs/dbraw/zinc/99/35/22/518993522.db2.gz	BJVSQLFLFQEZCV-JOCHJYFZSA-N	1	1	427.589	4.353	50	30		IIEAMO
CC[NH+]=C(Nc1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000005034648	556029290	/nfs/dbraw/zinc/02/92/90/556029290.db2.gz	IFFQKEHJPJXTKF-HXUWFJFHSA-N	1	1	425.554	4.364	50	30		IIEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(C)c(C)c3)=[NH+]C)C2=O)cc1	ZINC000100567312	556620973	/nfs/dbraw/zinc/62/09/73/556620973.db2.gz	QWOGUGSKXWQHPI-FQEVSTJZSA-N	1	1	425.554	4.364	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073380	568760377	/nfs/dbraw/zinc/76/03/77/568760377.db2.gz	XACOJSKEQRDALU-WCQONYCWSA-N	1	1	434.665	4.395	50	30	biogenic	IIEAMO
Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)s1	ZINC000019913587	569331831	/nfs/dbraw/zinc/33/18/31/569331831.db2.gz	BLALSJCGFCYWNO-UHFFFAOYSA-N	1	1	441.607	4.069	50	30		IIEAMO
Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)s1	ZINC000019913587	569331833	/nfs/dbraw/zinc/33/18/33/569331833.db2.gz	BLALSJCGFCYWNO-UHFFFAOYSA-N	1	1	441.607	4.069	50	30		IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1)c1cccs1	ZINC000027987561	569405308	/nfs/dbraw/zinc/40/53/08/569405308.db2.gz	YZQYFXVCZBAJOY-DENIHFKCSA-N	1	1	448.544	4.335	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306461	518299622	/nfs/dbraw/zinc/29/96/22/518299622.db2.gz	IXBIJXRQRXIAQS-QHCPKHFHSA-N	1	1	445.563	4.163	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)CCC	ZINC000036309700	518750591	/nfs/dbraw/zinc/75/05/91/518750591.db2.gz	DVEXCVLMXZPABK-UGKGYDQZSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)CCC	ZINC000036309700	518750599	/nfs/dbraw/zinc/75/05/99/518750599.db2.gz	DVEXCVLMXZPABK-UGKGYDQZSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1	ZINC000036308220	518986980	/nfs/dbraw/zinc/98/69/80/518986980.db2.gz	VIWBFXZZAABGEH-QFIPXVFZSA-N	1	1	433.552	4.407	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1	ZINC000020573466	522007451	/nfs/dbraw/zinc/00/74/51/522007451.db2.gz	IIIJOUVCTJMMOQ-RXVVDRJESA-N	1	1	433.533	4.024	50	30		IIEAMO
CCc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000022942421	556639808	/nfs/dbraw/zinc/63/98/08/556639808.db2.gz	LSAUVQXTSZTGJC-OHYPFYFLSA-N	1	1	438.575	4.492	50	30		IIEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C	ZINC000409415160	557110337	/nfs/dbraw/zinc/11/03/37/557110337.db2.gz	VTCKMNNPRGWZOQ-UKILVPOCSA-N	1	1	444.664	4.138	50	30	biogenic	IIEAMO
Cc1nnc(=O)[nH]c1N[NH+]=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000011666791	557301177	/nfs/dbraw/zinc/30/11/77/557301177.db2.gz	FLWHMGQOEZGBFQ-FXZATJRASA-N	1	1	449.518	4.275	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104985266	568623572	/nfs/dbraw/zinc/62/35/72/568623572.db2.gz	ZBDMGJOULGVIKU-FGZHOGPDSA-N	1	1	432.923	4.038	50	30		IIEAMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(C=Nc2ccc3c(c2)oc2ccccc23)c1	ZINC000252615668	569197513	/nfs/dbraw/zinc/19/75/13/569197513.db2.gz	JUQUSAUEQPLYHF-UHFFFAOYSA-N	1	1	444.491	4.359	50	30		IIEAMO
COc1ccc(F)cc1C[NH+]1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1	ZINC000019808697	569329770	/nfs/dbraw/zinc/32/97/70/569329770.db2.gz	DBAWPFCJRZCKJC-UHFFFAOYSA-N	1	1	429.499	4.138	50	30		IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccs1	ZINC000027987554	569405329	/nfs/dbraw/zinc/40/53/29/569405329.db2.gz	YZQYFXVCZBAJOY-KNQAVFIVSA-N	1	1	448.544	4.335	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N(CC)CC	ZINC000036249758	518296311	/nfs/dbraw/zinc/29/63/11/518296311.db2.gz	QDKRBDZKKHYXGN-QFIPXVFZSA-N	1	1	445.579	4.186	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC	ZINC000036316225	518301290	/nfs/dbraw/zinc/30/12/90/518301290.db2.gz	XKQMEADLIKYDSS-GMAHTHKFSA-N	1	1	447.579	4.491	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146547	518989444	/nfs/dbraw/zinc/98/94/44/518989444.db2.gz	FEGVXVDZMPGKAO-SFTDATJTSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146547	518989452	/nfs/dbraw/zinc/98/94/52/518989452.db2.gz	FEGVXVDZMPGKAO-SFTDATJTSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1	ZINC000036146658	518994047	/nfs/dbraw/zinc/99/40/47/518994047.db2.gz	IJKRKHYEFVUPIY-UXHICEINSA-N	1	1	432.923	4.038	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000012864613	520493793	/nfs/dbraw/zinc/49/37/93/520493793.db2.gz	XACOJSKEQRDALU-MOHLLJBMSA-N	1	1	434.665	4.395	50	30	biogenic	IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1	ZINC000020589279	522068247	/nfs/dbraw/zinc/06/82/47/522068247.db2.gz	IGVJVLUENUGMHX-NQIIRXRSSA-N	1	1	433.533	4.024	50	30		IIEAMO
N#Cc1cccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)c1	ZINC000033069228	526716299	/nfs/dbraw/zinc/71/62/99/526716299.db2.gz	XKPRAXTZJCFREM-UHFFFAOYSA-N	1	1	447.926	4.455	50	30		IIEAMO
N#Cc1cccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)c1	ZINC000033069228	526716304	/nfs/dbraw/zinc/71/63/04/526716304.db2.gz	XKPRAXTZJCFREM-UHFFFAOYSA-N	1	1	447.926	4.455	50	30		IIEAMO
COc1c2c(cc3c1[C@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)[N@@H+](C)CC3)OCO2	ZINC000033933798	556743144	/nfs/dbraw/zinc/74/31/44/556743144.db2.gz	GDGOCISBYQZCJR-HBTCSRNFSA-N	1	1	426.513	4.203	50	30	biogenic	IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984657	568623454	/nfs/dbraw/zinc/62/34/54/568623454.db2.gz	FEGVXVDZMPGKAO-LEWJYISDSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984657	568623456	/nfs/dbraw/zinc/62/34/56/568623456.db2.gz	FEGVXVDZMPGKAO-LEWJYISDSA-N	1	1	432.923	4.038	50	30		IIEAMO
COc1ccc(/C=C/C(=O)c2ccccc2)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000263585132	568758913	/nfs/dbraw/zinc/75/89/13/568758913.db2.gz	FLXGHFQBYWTLAK-KPVVVLSSSA-N	1	1	440.543	4.372	50	30	biogenic	IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]12	ZINC000253488102	569283237	/nfs/dbraw/zinc/28/32/37/569283237.db2.gz	XACOJSKEQRDALU-QBBPNXHKSA-N	1	1	434.665	4.395	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)CC1CC1	ZINC000036249747	518992040	/nfs/dbraw/zinc/99/20/40/518992040.db2.gz	WZGORHHKOYYXGT-OAQYLSRUSA-N	1	1	431.552	4.102	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1	ZINC000020589276	522010332	/nfs/dbraw/zinc/01/03/32/522010332.db2.gz	IGVJVLUENUGMHX-RXVVDRJESA-N	1	1	433.533	4.024	50	30		IIEAMO
C=CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000034716843	555866458	/nfs/dbraw/zinc/86/64/58/555866458.db2.gz	KGIYXPNGFMGHNB-LEWJYISDSA-N	1	1	426.532	4.059	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984654	568623601	/nfs/dbraw/zinc/62/36/01/568623601.db2.gz	FEGVXVDZMPGKAO-NHCUHLMSSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104984654	568623602	/nfs/dbraw/zinc/62/36/02/568623602.db2.gz	FEGVXVDZMPGKAO-NHCUHLMSSA-N	1	1	432.923	4.038	50	30		IIEAMO
COc1ccc(/C=C/C(=O)c2cccs2)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000263586933	568760045	/nfs/dbraw/zinc/76/00/45/568760045.db2.gz	ZVFFNNSUFXLUOW-QOEWUMFVSA-N	1	1	446.572	4.434	50	30	biogenic	IIEAMO
C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[NH+]1CCC(C)CC1	ZINC000035991415	518841322	/nfs/dbraw/zinc/84/13/22/518841322.db2.gz	UXEJEAYITQOUFV-NRFANRHFSA-N	1	1	431.964	4.141	50	30		IIEAMO
C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000012767739	522682515	/nfs/dbraw/zinc/68/25/15/522682515.db2.gz	URCVAWRDOODPFB-UHFFFAOYSA-N	1	1	438.837	4.130	50	30		IIEAMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000012767739	522682523	/nfs/dbraw/zinc/68/25/23/522682523.db2.gz	URCVAWRDOODPFB-UHFFFAOYSA-N	1	1	438.837	4.130	50	30		IIEAMO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000012863327	525348007	/nfs/dbraw/zinc/34/80/07/525348007.db2.gz	MHXARIVPIJEABA-WIAZEZMVSA-N	1	1	425.544	4.442	50	30	biogenic	IIEAMO
COc1cc(C[N@H+](C)CC(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccccc1	ZINC000032751488	556313450	/nfs/dbraw/zinc/31/34/50/556313450.db2.gz	ATQGFGOIKSBRRU-UHFFFAOYSA-N	1	1	447.535	4.241	50	30		IIEAMO
COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)Cc2ccco2)ccc1OCc1ccccc1	ZINC000032751488	556313454	/nfs/dbraw/zinc/31/34/54/556313454.db2.gz	ATQGFGOIKSBRRU-UHFFFAOYSA-N	1	1	447.535	4.241	50	30		IIEAMO
COc1ccc(CC[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1OC	ZINC000014773649	556445152	/nfs/dbraw/zinc/44/51/52/556445152.db2.gz	FPGQDWNWXCEDQO-UHFFFAOYSA-N	1	1	438.572	4.222	50	30		IIEAMO
COc1ccc(CC[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1OC	ZINC000014773649	556445153	/nfs/dbraw/zinc/44/51/53/556445153.db2.gz	FPGQDWNWXCEDQO-UHFFFAOYSA-N	1	1	438.572	4.222	50	30		IIEAMO
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)c(OC)c1	ZINC000023153749	557028308	/nfs/dbraw/zinc/02/83/08/557028308.db2.gz	HEYHVICZLKZLHL-UHFFFAOYSA-N	1	1	433.533	4.448	50	30		IIEAMO
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)c(OC)c1	ZINC000023153749	557028312	/nfs/dbraw/zinc/02/83/12/557028312.db2.gz	HEYHVICZLKZLHL-UHFFFAOYSA-N	1	1	433.533	4.448	50	30		IIEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(OC)cc3)=[NH+]CC)C2=O)cc1	ZINC000101371420	557291954	/nfs/dbraw/zinc/29/19/54/557291954.db2.gz	YRAVOOMZTIGPCV-FQEVSTJZSA-N	1	1	441.553	4.146	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O	ZINC000105003838	557470787	/nfs/dbraw/zinc/47/07/87/557470787.db2.gz	BDNQFDQXUBYBQW-WMZHIEFXSA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O	ZINC000105003838	557470789	/nfs/dbraw/zinc/47/07/89/557470789.db2.gz	BDNQFDQXUBYBQW-WMZHIEFXSA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)CCC	ZINC000105003734	557470835	/nfs/dbraw/zinc/47/08/35/557470835.db2.gz	AXEUTXHNOISXEP-NFBKMPQASA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)CCC	ZINC000105003734	557470838	/nfs/dbraw/zinc/47/08/38/557470838.db2.gz	AXEUTXHNOISXEP-NFBKMPQASA-N	1	1	442.625	4.210	50	30		IIEAMO
COc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1OC	ZINC000025338839	568653989	/nfs/dbraw/zinc/65/39/89/568653989.db2.gz	LBEURYWANMLRJL-UHFFFAOYSA-N	1	1	441.531	4.200	50	30		IIEAMO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000004073672	569458616	/nfs/dbraw/zinc/45/86/16/569458616.db2.gz	WGYIDYTZAFWUIB-OOZCZYHYSA-N	1	1	425.544	4.440	50	30	biogenic	IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C	ZINC000036316274	518302561	/nfs/dbraw/zinc/30/25/61/518302561.db2.gz	XCYZUBSNTHBCKS-QHCPKHFHSA-N	1	1	447.579	4.448	50	30		IIEAMO
C=CCC[C@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309062	518722687	/nfs/dbraw/zinc/72/26/87/518722687.db2.gz	AXOYKXGUTXAZAK-REWPJTCUSA-N	1	1	442.625	4.292	50	30		IIEAMO
C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1C[NH+]1CCC(C)CC1	ZINC000035991414	518841002	/nfs/dbraw/zinc/84/10/02/518841002.db2.gz	UXEJEAYITQOUFV-OAQYLSRUSA-N	1	1	431.964	4.141	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1	ZINC000036146659	518988289	/nfs/dbraw/zinc/98/82/89/518988289.db2.gz	IJKRKHYEFVUPIY-PMACEKPBSA-N	1	1	432.923	4.038	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1	ZINC000012582798	519330440	/nfs/dbraw/zinc/33/04/40/519330440.db2.gz	KMERUYFSTAOAIR-QHCPKHFHSA-N	1	1	448.592	4.049	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1	ZINC000012582798	519330449	/nfs/dbraw/zinc/33/04/49/519330449.db2.gz	KMERUYFSTAOAIR-QHCPKHFHSA-N	1	1	448.592	4.049	50	30		IIEAMO
CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055153123	521356566	/nfs/dbraw/zinc/35/65/66/521356566.db2.gz	RHUUTPZJFVIJKQ-VWLOTQADSA-N	1	1	425.594	4.259	50	30		IIEAMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)c1C#N	ZINC000022788914	525681019	/nfs/dbraw/zinc/68/10/19/525681019.db2.gz	WBKZRQCOCFKGNV-UHFFFAOYSA-N	1	1	439.629	4.300	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)CCC	ZINC000105003827	557470842	/nfs/dbraw/zinc/47/08/42/557470842.db2.gz	IWAGXIKXNNNONH-NFBKMPQASA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)CCC	ZINC000105003827	557470844	/nfs/dbraw/zinc/47/08/44/557470844.db2.gz	IWAGXIKXNNNONH-NFBKMPQASA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1	ZINC000104984334	568623090	/nfs/dbraw/zinc/62/30/90/568623090.db2.gz	HOBNXCNEJOLUSS-FGZHOGPDSA-N	1	1	428.960	4.207	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)CCC	ZINC000169680156	568990815	/nfs/dbraw/zinc/99/08/15/568990815.db2.gz	IWAGXIKXNNNONH-NZQKXSOJSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)CCC	ZINC000169680156	568990816	/nfs/dbraw/zinc/99/08/16/568990816.db2.gz	IWAGXIKXNNNONH-NZQKXSOJSA-N	1	1	442.625	4.210	50	30		IIEAMO
Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CC[NH+](C)CC4)o3)cccc2c1=O	ZINC000036359208	569085646	/nfs/dbraw/zinc/08/56/46/569085646.db2.gz	HMSGULZNABQXLS-UHFFFAOYSA-N	1	1	426.476	4.047	50	30		IIEAMO
COc1ccc(C[NH+]2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1F	ZINC000020103097	569333945	/nfs/dbraw/zinc/33/39/45/569333945.db2.gz	ZAYZPGBNTXFNKX-UHFFFAOYSA-N	1	1	429.499	4.138	50	30		IIEAMO
C[NH+](C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccs1	ZINC000027987551	569405291	/nfs/dbraw/zinc/40/52/91/569405291.db2.gz	YZQYFXVCZBAJOY-UGKGYDQZSA-N	1	1	448.544	4.335	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304830	518303273	/nfs/dbraw/zinc/30/32/73/518303273.db2.gz	DGLALZAVYLEFAH-DEOSSOPVSA-N	1	1	445.563	4.257	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304830	518303277	/nfs/dbraw/zinc/30/32/77/518303277.db2.gz	DGLALZAVYLEFAH-DEOSSOPVSA-N	1	1	445.563	4.257	50	30		IIEAMO
C=CCC[C@@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309060	518712015	/nfs/dbraw/zinc/71/20/15/518712015.db2.gz	AXOYKXGUTXAZAK-OFNKIYASSA-N	1	1	442.625	4.292	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1	ZINC000036249885	518992188	/nfs/dbraw/zinc/99/21/88/518992188.db2.gz	XKQQXOXSAUTKSQ-JOCHJYFZSA-N	1	1	427.589	4.353	50	30		IIEAMO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000012866190	524227641	/nfs/dbraw/zinc/22/76/41/524227641.db2.gz	WGYIDYTZAFWUIB-LOQISJBFSA-N	1	1	425.544	4.440	50	30	biogenic	IIEAMO
C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21	ZINC000019731962	568855208	/nfs/dbraw/zinc/85/52/08/568855208.db2.gz	VLHPFROMLPCJKS-FTEYMNFISA-N	1	1	442.991	4.332	50	30		IIEAMO
C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21	ZINC000019731962	568855209	/nfs/dbraw/zinc/85/52/09/568855209.db2.gz	VLHPFROMLPCJKS-FTEYMNFISA-N	1	1	442.991	4.332	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1	ZINC000169681918	568992811	/nfs/dbraw/zinc/99/28/11/568992811.db2.gz	HOBNXCNEJOLUSS-YADHBBJMSA-N	1	1	428.960	4.207	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662137	569160969	/nfs/dbraw/zinc/16/09/69/569160969.db2.gz	NLFRZRXEHVELJU-UXHICEINSA-N	1	1	437.544	4.362	50	30		IIEAMO
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000089662137	569160970	/nfs/dbraw/zinc/16/09/70/569160970.db2.gz	NLFRZRXEHVELJU-UXHICEINSA-N	1	1	437.544	4.362	50	30		IIEAMO
Cn1cc[nH+]c1CC1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1	ZINC000095430999	569366346	/nfs/dbraw/zinc/36/63/46/569366346.db2.gz	ZZRHTJMQHFKGKC-UHFFFAOYSA-N	1	1	442.523	4.031	50	30		IIEAMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccc(O)cc2)C2CC2)c1C#N	ZINC000040119636	569489437	/nfs/dbraw/zinc/48/94/37/569489437.db2.gz	VFVJPYUIMPKLPJ-UHFFFAOYSA-N	1	1	428.536	4.334	50	30		IIEAMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccc(O)cc2)C2CC2)c1C#N	ZINC000040119636	569489438	/nfs/dbraw/zinc/48/94/38/569489438.db2.gz	VFVJPYUIMPKLPJ-UHFFFAOYSA-N	1	1	428.536	4.334	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C	ZINC000036249909	518298476	/nfs/dbraw/zinc/29/84/76/518298476.db2.gz	CXSOETCBOVWZEO-QFIPXVFZSA-N	1	1	427.589	4.045	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1	ZINC000036346363	518303569	/nfs/dbraw/zinc/30/35/69/518303569.db2.gz	SRNUYJKXGXBKMN-QHCPKHFHSA-N	1	1	449.526	4.087	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1	ZINC000036346363	518303577	/nfs/dbraw/zinc/30/35/77/518303577.db2.gz	SRNUYJKXGXBKMN-QHCPKHFHSA-N	1	1	449.526	4.087	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1	ZINC000036346037	518303818	/nfs/dbraw/zinc/30/38/18/518303818.db2.gz	FXGAODOZEQFFQP-QFIPXVFZSA-N	1	1	449.526	4.087	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1	ZINC000036346037	518303823	/nfs/dbraw/zinc/30/38/23/518303823.db2.gz	FXGAODOZEQFFQP-QFIPXVFZSA-N	1	1	449.526	4.087	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)CCC	ZINC000036309172	518748743	/nfs/dbraw/zinc/74/87/43/518748743.db2.gz	IWAGXIKXNNNONH-OFNKIYASSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)CCC	ZINC000036309172	518748749	/nfs/dbraw/zinc/74/87/49/518748749.db2.gz	IWAGXIKXNNNONH-OFNKIYASSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022810923	518781014	/nfs/dbraw/zinc/78/10/14/518781014.db2.gz	PFRNLCXULKGIHJ-KRWDZBQOSA-N	1	1	439.050	4.149	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146728	518993579	/nfs/dbraw/zinc/99/35/79/518993579.db2.gz	KTMSJFQUEBKWQO-UXHICEINSA-N	1	1	432.923	4.038	50	30		IIEAMO
COc1ccc(C(=[NH2+])NOC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	ZINC000006672645	556100457	/nfs/dbraw/zinc/10/04/57/556100457.db2.gz	HSLNTVLWZJMGLN-UHFFFAOYSA-N	1	1	427.284	4.033	50	30		IIEAMO
COc1cccc(C(=O)ONC(=[NH2+])c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1	ZINC000033680074	556566787	/nfs/dbraw/zinc/56/67/87/556566787.db2.gz	HFRMPLURKFEDDO-UHFFFAOYSA-N	1	1	431.370	4.379	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)CCC	ZINC000105003980	557471123	/nfs/dbraw/zinc/47/11/23/557471123.db2.gz	DVEXCVLMXZPABK-DENIHFKCSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)CCC	ZINC000105003980	557471126	/nfs/dbraw/zinc/47/11/26/557471126.db2.gz	DVEXCVLMXZPABK-DENIHFKCSA-N	1	1	446.588	4.041	50	30		IIEAMO
CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000011874944	562979804	/nfs/dbraw/zinc/97/98/04/562979804.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	1	1	434.624	4.206	50	30		IIEAMO
CC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000011874944	562979805	/nfs/dbraw/zinc/97/98/05/562979805.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	1	1	434.624	4.206	50	30		IIEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146546	518995450	/nfs/dbraw/zinc/99/54/50/518995450.db2.gz	FEGVXVDZMPGKAO-RTWAWAEBSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146546	518995462	/nfs/dbraw/zinc/99/54/62/518995462.db2.gz	FEGVXVDZMPGKAO-RTWAWAEBSA-N	1	1	432.923	4.038	50	30		IIEAMO
C=CC[N@H+](C)Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1	ZINC000072281968	556464581	/nfs/dbraw/zinc/46/45/81/556464581.db2.gz	WIDNIOHMDJLHHR-UHFFFAOYSA-N	1	1	444.373	4.086	50	30		IIEAMO
C=C(C)C[N@H+](CC)Cc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC	ZINC000101250723	568791945	/nfs/dbraw/zinc/79/19/45/568791945.db2.gz	IFHQLPZFIALOEH-UPVQGACJSA-N	1	1	433.552	4.263	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036316310	518298441	/nfs/dbraw/zinc/29/84/41/518298441.db2.gz	HOQPHPVGIVURPH-QHCPKHFHSA-N	1	1	447.579	4.450	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036302958	518302792	/nfs/dbraw/zinc/30/27/92/518302792.db2.gz	YGCWCGJMAKGWCN-QHCPKHFHSA-N	1	1	445.563	4.202	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036302958	518302798	/nfs/dbraw/zinc/30/27/98/518302798.db2.gz	YGCWCGJMAKGWCN-QHCPKHFHSA-N	1	1	445.563	4.202	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C	ZINC000036316275	518309866	/nfs/dbraw/zinc/30/98/66/518309866.db2.gz	XCYZUBSNTHBCKS-HSZRJFAPSA-N	1	1	447.579	4.448	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O	ZINC000036309262	518748322	/nfs/dbraw/zinc/74/83/22/518748322.db2.gz	BDNQFDQXUBYBQW-XXBNENTESA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O	ZINC000036309262	518748330	/nfs/dbraw/zinc/74/83/30/518748330.db2.gz	BDNQFDQXUBYBQW-XXBNENTESA-N	1	1	442.625	4.245	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1	ZINC000036145929	518988552	/nfs/dbraw/zinc/98/85/52/518988552.db2.gz	HOBNXCNEJOLUSS-FCHUYYIVSA-N	1	1	428.960	4.207	50	30		IIEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)c1C	ZINC000020685795	524665981	/nfs/dbraw/zinc/66/59/81/524665981.db2.gz	NRBIGVKIJBQPEA-SJRIRLFCSA-N	1	1	449.624	4.276	50	30		IIEAMO
COc1ccc(/N=C2/[C@@H](N3CC[NH+](C)CC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1	ZINC000033435854	557398369	/nfs/dbraw/zinc/39/83/69/557398369.db2.gz	GNLIYPIBROTKPV-UPIHBEMDSA-N	1	1	446.595	4.339	50	30		IIEAMO
N#Cc1c2c(c(N3CC[NH+](Cc4ccc(F)cc4)CC3)n3c4ccccc4nc13)CCC2	ZINC000019808948	563023161	/nfs/dbraw/zinc/02/31/61/563023161.db2.gz	HPPFNLZAMLZQAO-UHFFFAOYSA-N	1	1	425.511	4.309	50	30		IIEAMO
COc1ccc(-c2nc(NCc3ccccc3C[NH+]3CCCCC3)[nH]c(=O)c2C#N)cc1	ZINC000040130021	569490234	/nfs/dbraw/zinc/49/02/34/569490234.db2.gz	BJZOEYITHKEAIG-UHFFFAOYSA-N	1	1	429.524	4.327	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC	ZINC000036316224	518299601	/nfs/dbraw/zinc/29/96/01/518299601.db2.gz	XKQMEADLIKYDSS-GGAORHGYSA-N	1	1	447.579	4.491	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308087	518310545	/nfs/dbraw/zinc/31/05/45/518310545.db2.gz	LJSDHBJJOBZTBO-HSZRJFAPSA-N	1	1	447.579	4.348	50	30		IIEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@H]12	ZINC000012886486	518662115	/nfs/dbraw/zinc/66/21/15/518662115.db2.gz	WTPYXBISXXLCCB-NAJCILGRSA-N	1	1	425.569	4.376	50	30	biogenic	IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1	ZINC000020589285	522068368	/nfs/dbraw/zinc/06/83/68/522068368.db2.gz	IGVJVLUENUGMHX-WIYYLYMNSA-N	1	1	433.533	4.024	50	30		IIEAMO
C=CCOc1ccccc1CN(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000020109618	568855682	/nfs/dbraw/zinc/85/56/82/568855682.db2.gz	YAPWFXHALJGUEU-UHFFFAOYSA-N	1	1	448.655	4.455	50	30		IIEAMO
COc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1OC	ZINC000016620871	568926352	/nfs/dbraw/zinc/92/63/52/568926352.db2.gz	DASMKRWCEIURFW-UHFFFAOYSA-N	1	1	427.570	4.366	50	30		IIEAMO
COc1ccc(/C=N/c2nc3ccccc3n2CC[NH+]2CCOCC2)c2c(OC)cccc12	ZINC000002254827	569216793	/nfs/dbraw/zinc/21/67/93/569216793.db2.gz	LVIXFDNTXGSJKY-OVVQPSECSA-N	1	1	444.535	4.290	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036302960	518310017	/nfs/dbraw/zinc/31/00/17/518310017.db2.gz	YGCWCGJMAKGWCN-HSZRJFAPSA-N	1	1	445.563	4.202	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036302960	518310021	/nfs/dbraw/zinc/31/00/21/518310021.db2.gz	YGCWCGJMAKGWCN-HSZRJFAPSA-N	1	1	445.563	4.202	50	30		IIEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345898	518310572	/nfs/dbraw/zinc/31/05/72/518310572.db2.gz	JFIWRTQCDIBTKE-XMMPIXPASA-N	1	1	445.563	4.257	50	30		IIEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345898	518310577	/nfs/dbraw/zinc/31/05/77/518310577.db2.gz	JFIWRTQCDIBTKE-XMMPIXPASA-N	1	1	445.563	4.257	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)CCC	ZINC000036309171	518749426	/nfs/dbraw/zinc/74/94/26/518749426.db2.gz	IWAGXIKXNNNONH-REWPJTCUSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)CCC	ZINC000036309171	518749431	/nfs/dbraw/zinc/74/94/31/518749431.db2.gz	IWAGXIKXNNNONH-REWPJTCUSA-N	1	1	442.625	4.210	50	30		IIEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)CCC	ZINC000036309702	518750502	/nfs/dbraw/zinc/75/05/02/518750502.db2.gz	DVEXCVLMXZPABK-KNQAVFIVSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)CCC	ZINC000036309702	518750508	/nfs/dbraw/zinc/75/05/08/518750508.db2.gz	DVEXCVLMXZPABK-KNQAVFIVSA-N	1	1	446.588	4.041	50	30		IIEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1	ZINC000036146587	518989419	/nfs/dbraw/zinc/98/94/19/518989419.db2.gz	JMINTAAOYOSRBR-XZOQPEGZSA-N	1	1	428.960	4.207	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1	ZINC000012582795	519330865	/nfs/dbraw/zinc/33/08/65/519330865.db2.gz	KMERUYFSTAOAIR-HSZRJFAPSA-N	1	1	448.592	4.049	50	30		IIEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1	ZINC000012582795	519330872	/nfs/dbraw/zinc/33/08/72/519330872.db2.gz	KMERUYFSTAOAIR-HSZRJFAPSA-N	1	1	448.592	4.049	50	30		IIEAMO
C[NH+](C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1	ZINC000020573467	522068569	/nfs/dbraw/zinc/06/85/69/522068569.db2.gz	IIIJOUVCTJMMOQ-NQIIRXRSSA-N	1	1	433.533	4.024	50	30		IIEAMO
C=CCn1c(SCC[NH+]2CCCCCC2)nnc1C1CCN(Cc2ccccn2)CC1	ZINC000299781178	556695899	/nfs/dbraw/zinc/69/58/99/556695899.db2.gz	DHKKMEQWFXLQHV-UHFFFAOYSA-N	1	1	440.661	4.207	50	30		IIEAMO
C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C	ZINC000583647626	557241166	/nfs/dbraw/zinc/24/11/66/557241166.db2.gz	VTCKMNNPRGWZOQ-ZCYQVOJMSA-N	1	1	444.664	4.138	50	30	biogenic	IIEAMO
CCCC[N@@H+](CC)CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3	ZINC000008690758	562963273	/nfs/dbraw/zinc/96/32/73/562963273.db2.gz	WIDYBWZVNBWWJA-UHFFFAOYSA-N	1	1	429.634	4.333	50	30		IIEAMO
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000004073125	568760478	/nfs/dbraw/zinc/76/04/78/568760478.db2.gz	MHXARIVPIJEABA-WJXVZKHPSA-N	1	1	425.544	4.442	50	30	biogenic	IIEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3ccccc3)c2C1	ZINC000016189204	568872425	/nfs/dbraw/zinc/87/24/25/568872425.db2.gz	GIFCNEHOZUFGQC-UHFFFAOYSA-N	1	1	432.524	4.478	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000253488103	569283154	/nfs/dbraw/zinc/28/31/54/569283154.db2.gz	XACOJSKEQRDALU-VMQDIAFOSA-N	1	1	434.665	4.395	50	30		IIEAMO
Cc1c(C#N)c2nc3ccccc3n2c(NCCC[NH+]2CCOCC2)c1Cc1ccccc1	ZINC000019911735	569331854	/nfs/dbraw/zinc/33/18/54/569331854.db2.gz	VSLKWXXQAWDOGE-UHFFFAOYSA-N	1	1	439.563	4.393	50	30		IIEAMO
N#Cc1ccc(COCC2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000077191662	569585957	/nfs/dbraw/zinc/58/59/57/569585957.db2.gz	BYIMNJNAHOAUKI-UHFFFAOYSA-N	1	1	431.458	4.444	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345897	518303896	/nfs/dbraw/zinc/30/38/96/518303896.db2.gz	JFIWRTQCDIBTKE-DEOSSOPVSA-N	1	1	445.563	4.257	50	30		IIEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345897	518303898	/nfs/dbraw/zinc/30/38/98/518303898.db2.gz	JFIWRTQCDIBTKE-DEOSSOPVSA-N	1	1	445.563	4.257	50	30		IIEAMO
COc1ccc(/N=C2/[C@H](N3CC[NH+](C)CC3)C3(CCCCC3)C(=O)N2c2ccccc2)cc1	ZINC000033435855	557398215	/nfs/dbraw/zinc/39/82/15/557398215.db2.gz	GNLIYPIBROTKPV-ZUSYLBMNSA-N	1	1	446.595	4.339	50	30		IIEAMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]12	ZINC000253488101	569283148	/nfs/dbraw/zinc/28/31/48/569283148.db2.gz	XACOJSKEQRDALU-PZRROBCLSA-N	1	1	434.665	4.395	50	30		IIEAMO
Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)c1	ZINC000057380022	569432568	/nfs/dbraw/zinc/43/25/68/569432568.db2.gz	PRAKNMCMUCYNKL-SNBLZRPZSA-N	1	1	438.612	4.031	50	30	biogenic	IIEAMO
N#Cc1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1	ZINC000217598570	569449794	/nfs/dbraw/zinc/44/97/94/569449794.db2.gz	SNLKJVKTGAOMAV-AREMUKBSSA-N	1	1	431.580	4.163	50	30		IIEAMO