smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CCCNC(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1	ZINC000003958987	194367458	/nfs/dbraw/zinc/36/74/58/194367458.db2.gz	PISOLXJACKFUAI-UHFFFAOYSA-N	0	1	485.610	1.869	50	10		JDCAMN
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)CC1	ZINC000012758869	195109914	/nfs/dbraw/zinc/10/99/14/195109914.db2.gz	JWZDNXAVTATGMS-PEZBUJJGSA-N	0	1	459.597	1.684	50	10		JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(F)cc4)C1=O)[N@H+](C)CC3)OCO2	ZINC000020410638	521889496	/nfs/dbraw/zinc/88/94/96/521889496.db2.gz	JPOZSMQKILBVIW-KGZWWPETSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(F)cc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000020410638	521889503	/nfs/dbraw/zinc/88/95/03/521889503.db2.gz	JPOZSMQKILBVIW-KGZWWPETSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000013574625	523946826	/nfs/dbraw/zinc/94/68/26/523946826.db2.gz	ODYPHDYPIVVQSP-GQFSOJHHSA-N	0	1	453.470	1.999	50	10		JDCAMN
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCN(C)CC3)ccc21	ZINC000022734316	523999538	/nfs/dbraw/zinc/99/95/38/523999538.db2.gz	RFWZMHAXLNGFPW-QFIPXVFZSA-N	0	1	479.581	1.494	50	10		JDCAMN
COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734205	524845357	/nfs/dbraw/zinc/84/53/57/524845357.db2.gz	ADENVIOOZAQKNO-HSZRJFAPSA-N	0	1	481.597	1.740	50	10		JDCAMN
COC(=O)c1ccc(N2NC(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000000678059	553751371	/nfs/dbraw/zinc/75/13/71/553751371.db2.gz	JTVWJPPREMYXND-CPNJWEJPSA-N	0	1	466.475	1.373	50	10		JDCAMN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)cc1	ZINC000002099542	554041965	/nfs/dbraw/zinc/04/19/65/554041965.db2.gz	KZTLRQIDAKNVAY-UWKDKTGGSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)cc1	ZINC000002099542	554041966	/nfs/dbraw/zinc/04/19/66/554041966.db2.gz	KZTLRQIDAKNVAY-UWKDKTGGSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(F)c4)C1=O)[N@H+](C)CC3)OCO2	ZINC000002106865	554047061	/nfs/dbraw/zinc/04/70/61/554047061.db2.gz	YDTPXDHQRCTYKK-LPPOOGIUSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(F)c4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000002106865	554047064	/nfs/dbraw/zinc/04/70/64/554047064.db2.gz	YDTPXDHQRCTYKK-LPPOOGIUSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
CN1C(=O)N(C)C(=O)C2(Cc3cc(N=CC4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009253057	555028116	/nfs/dbraw/zinc/02/81/16/555028116.db2.gz	ROJJFICFYWNORJ-QGZVFWFLSA-N	0	1	482.493	1.380	50	10		JDCAMN
CCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009253544	555028866	/nfs/dbraw/zinc/02/88/66/555028866.db2.gz	UHJKZZXJSGLEET-FXFXYLOPSA-N	0	1	493.520	1.120	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccccc21	ZINC000013572494	555511252	/nfs/dbraw/zinc/51/12/52/555511252.db2.gz	CSNLNONVRFILBH-MDTICMOCSA-N	0	1	451.479	1.097	50	10		JDCAMN
NS(=O)(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1	ZINC000010386584	555704622	/nfs/dbraw/zinc/70/46/22/555704622.db2.gz	NAFPYYMYWWUDLG-IAOKNECISA-N	0	1	479.586	1.929	50	10		JDCAMN
NS(=O)(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1	ZINC000010386584	555704627	/nfs/dbraw/zinc/70/46/27/555704627.db2.gz	NAFPYYMYWWUDLG-IAOKNECISA-N	0	1	479.586	1.929	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccnc4[nH]c3=S)CC2)cc1	ZINC000020618269	555845643	/nfs/dbraw/zinc/84/56/43/555845643.db2.gz	LVNJUNCGBCIBAU-UHFFFAOYSA-N	0	1	468.583	1.417	50	10		JDCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000022999005	555999157	/nfs/dbraw/zinc/99/91/57/555999157.db2.gz	BCIRVVBMBPGJPI-OAQYLSRUSA-N	0	1	454.531	1.704	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cccc2Cl	ZINC000016021971	556114399	/nfs/dbraw/zinc/11/43/99/556114399.db2.gz	PYERTANNXKMVBR-RSOWOLOUSA-N	0	1	485.924	1.751	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016025094	556115992	/nfs/dbraw/zinc/11/59/92/556115992.db2.gz	WTNRNUUVOJWIHG-XXPWESIGSA-N	0	1	469.469	1.237	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000032763969	556488160	/nfs/dbraw/zinc/48/81/60/556488160.db2.gz	WXSIRMOLATZIFU-FQEVSTJZSA-N	0	1	474.627	1.999	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)C3CCN(c4ccc5nnc(C)n5n4)CC3)CC2)cc1	ZINC000033009966	569616450	/nfs/dbraw/zinc/61/64/50/569616450.db2.gz	FUZOWXIAJMMBGM-UHFFFAOYSA-N	0	1	492.628	1.986	50	10		JDCAMN
NS(=O)(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1	ZINC000101113369	569783380	/nfs/dbraw/zinc/78/33/80/569783380.db2.gz	NAFPYYMYWWUDLG-HRYODUOUSA-N	0	1	479.586	1.929	50	10		JDCAMN
NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4cccs4)SC3=S)C2=O)cc1	ZINC000101113369	569783381	/nfs/dbraw/zinc/78/33/81/569783381.db2.gz	NAFPYYMYWWUDLG-HRYODUOUSA-N	0	1	479.586	1.929	50	10		JDCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1	ZINC000022809763	522246600	/nfs/dbraw/zinc/24/66/00/522246600.db2.gz	ARXSPRJNRTZMDB-NRFANRHFSA-N	0	1	467.570	1.567	50	10		JDCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1	ZINC000022809743	522247026	/nfs/dbraw/zinc/24/70/26/522247026.db2.gz	NMLWZNAXOMPJCH-FQEVSTJZSA-N	0	1	453.543	1.525	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735101	523916005	/nfs/dbraw/zinc/91/60/05/523916005.db2.gz	FTVHOFCPKVTBLL-QFIPXVFZSA-N	0	1	455.628	1.852	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735077	523918565	/nfs/dbraw/zinc/91/85/65/523918565.db2.gz	MFRNLGPSFZGLNM-QHCPKHFHSA-N	0	1	493.608	1.884	50	10		JDCAMN
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCN(C)CC3)ccc21	ZINC000022734331	523998350	/nfs/dbraw/zinc/99/83/50/523998350.db2.gz	YAXZHZWILVYECF-JOCHJYFZSA-N	0	1	479.581	1.129	50	10		JDCAMN
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCN(C)CC3)ccc21	ZINC000022734328	523999566	/nfs/dbraw/zinc/99/95/66/523999566.db2.gz	YAXZHZWILVYECF-QFIPXVFZSA-N	0	1	479.581	1.129	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	ZINC000022734325	524044764	/nfs/dbraw/zinc/04/47/64/524044764.db2.gz	AAKYZADFSCJAFS-DEOSSOPVSA-N	0	1	465.598	1.409	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	ZINC000022734322	524044806	/nfs/dbraw/zinc/04/48/06/524044806.db2.gz	AAKYZADFSCJAFS-XMMPIXPASA-N	0	1	465.598	1.409	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	ZINC000022735083	524045090	/nfs/dbraw/zinc/04/50/90/524045090.db2.gz	CHFDKGUPUNNDSG-RUZDIDTESA-N	0	1	479.625	1.799	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1	ZINC000012514479	524424417	/nfs/dbraw/zinc/42/44/17/524424417.db2.gz	AGXUOOQTDHNUMD-FGZHOGPDSA-N	0	1	456.587	1.889	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(OC)c1	ZINC000022734334	524462006	/nfs/dbraw/zinc/46/20/06/524462006.db2.gz	NFNDHDUKARSVEU-HSZRJFAPSA-N	0	1	481.597	1.740	50	10		JDCAMN
COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	ZINC000002126180	554058307	/nfs/dbraw/zinc/05/83/07/554058307.db2.gz	MJTIRGAAZAAKCI-LDADJPATSA-N	0	1	467.459	1.842	50	10		JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O	ZINC000002145854	554066434	/nfs/dbraw/zinc/06/64/34/554066434.db2.gz	SZNOMHVISQKAQU-JBXOJTMHSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O	ZINC000002145854	554066436	/nfs/dbraw/zinc/06/64/36/554066436.db2.gz	SZNOMHVISQKAQU-JBXOJTMHSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(C)(=O)=O)ccc1NS(C)(=O)=O	ZINC000008870406	554765411	/nfs/dbraw/zinc/76/54/11/554765411.db2.gz	KFQZUAWSCSMCGI-GFCCVEGCSA-N	0	1	460.452	1.596	50	10		JDCAMN
CC(C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009009816	554863241	/nfs/dbraw/zinc/86/32/41/554863241.db2.gz	AKPNYCMWJOZZBN-FYXHJSOBSA-N	0	1	493.520	1.119	50	10		JDCAMN
CCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009253547	555028937	/nfs/dbraw/zinc/02/89/37/555028937.db2.gz	UHJKZZXJSGLEET-QIPRVMPFSA-N	0	1	493.520	1.120	50	10		JDCAMN
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000009348757	555115063	/nfs/dbraw/zinc/11/50/63/555115063.db2.gz	ODYPHDYPIVVQSP-UHCBLFSXSA-N	0	1	453.470	1.999	50	10		JDCAMN
COc1ccc(CCN2C(=O)NC(=O)/C(=C\NNC(=S)Nc3ccccc3)C2=O)cc1OC	ZINC000009466019	555241381	/nfs/dbraw/zinc/24/13/81/555241381.db2.gz	FGFHLHKJLHQOKX-DTQAZKPQSA-N	0	1	469.523	1.700	50	10		JDCAMN
O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	ZINC000013591660	555526127	/nfs/dbraw/zinc/52/61/27/555526127.db2.gz	PXKQEAOIWCWYKN-QJERTUCVSA-N	0	1	497.935	1.893	50	10		JDCAMN
O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	ZINC000013592151	555526830	/nfs/dbraw/zinc/52/68/30/555526830.db2.gz	IPWBPXUQKXECND-QJERTUCVSA-N	0	1	481.480	1.379	50	10		JDCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000022999003	555999183	/nfs/dbraw/zinc/99/91/83/555999183.db2.gz	BCIRVVBMBPGJPI-NRFANRHFSA-N	0	1	454.531	1.704	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016024506	556114998	/nfs/dbraw/zinc/11/49/98/556114998.db2.gz	BFLLMGXTOGRSPH-HZNUMKHLSA-N	0	1	471.897	1.361	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016022282	556115049	/nfs/dbraw/zinc/11/50/49/556115049.db2.gz	JJVGZQQXVJBPOH-QJHDXQOESA-N	0	1	485.924	1.751	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016025034	556115713	/nfs/dbraw/zinc/11/57/13/556115713.db2.gz	LYPFVUYZWXGCQE-HOKASXAUSA-N	0	1	465.506	1.324	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016024898	556115782	/nfs/dbraw/zinc/11/57/82/556115782.db2.gz	HTAZJWGWTPBPLV-OIBPMIBVSA-N	0	1	465.506	1.324	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016025032	556115855	/nfs/dbraw/zinc/11/58/55/556115855.db2.gz	LYPFVUYZWXGCQE-OIBPMIBVSA-N	0	1	465.506	1.324	50	10		JDCAMN
COCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O	ZINC000004766412	194397642	/nfs/dbraw/zinc/39/76/42/194397642.db2.gz	JNLJXQHTBAMUSI-UHFFFAOYSA-N	0	1	495.580	1.287	50	10		JDCAMN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000058133130	195365511	/nfs/dbraw/zinc/36/55/11/195365511.db2.gz	ULDKCTIHAMPFFR-MSOLQXFVSA-N	0	1	460.600	1.991	50	10		JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735227	523919349	/nfs/dbraw/zinc/91/93/49/523919349.db2.gz	BOCBUTXFOACUOC-RUZDIDTESA-N	0	1	463.626	1.833	50	10		JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735092	523920616	/nfs/dbraw/zinc/92/06/16/523920616.db2.gz	BRKSUAQGYOYQMQ-HSZRJFAPSA-N	0	1	493.608	1.519	50	10		JDCAMN
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCN(C)CC3)ccc21	ZINC000022734278	523998617	/nfs/dbraw/zinc/99/86/17/523998617.db2.gz	RSVHPWJJHSMIDT-HSZRJFAPSA-N	0	1	453.562	1.539	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1	ZINC000022809511	524045179	/nfs/dbraw/zinc/04/51/79/524045179.db2.gz	MMVKUSWMUVOYRU-HSZRJFAPSA-N	0	1	453.587	1.482	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1	ZINC000004763560	524422693	/nfs/dbraw/zinc/42/26/93/524422693.db2.gz	BQZNJEJPCMBHLL-UHFFFAOYSA-N	0	1	471.583	1.479	50	10		JDCAMN
Cc1ccc(N2C(=O)C(=CNCCN3CCN(C(=O)c4ccccc4)CC3)C(=O)NC2=S)cc1	ZINC000020479804	524918512	/nfs/dbraw/zinc/91/85/12/524918512.db2.gz	WSNXYTGMJFNUEV-FXBPSFAMSA-N	0	1	477.590	1.674	50	10		JDCAMN
COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734415	526166247	/nfs/dbraw/zinc/16/62/47/526166247.db2.gz	MNGHJLSHNRDDPO-QHCPKHFHSA-N	0	1	451.571	1.731	50	10		JDCAMN
O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	ZINC000015972818	527089144	/nfs/dbraw/zinc/08/91/44/527089144.db2.gz	IPWBPXUQKXECND-WRNJSPSRSA-N	0	1	481.480	1.379	50	10		JDCAMN
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000000678063	553751407	/nfs/dbraw/zinc/75/14/07/553751407.db2.gz	LDSWZLXBUBNHTG-XSFVSMFZSA-N	0	1	480.502	1.763	50	10		JDCAMN
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CC[NH+](C)CC3)nc12	ZINC000002507304	554230907	/nfs/dbraw/zinc/23/09/07/554230907.db2.gz	UHZDAULUEDOYHP-SSZFMOIBSA-N	0	1	487.607	1.821	50	10		JDCAMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1	ZINC000002833244	554368478	/nfs/dbraw/zinc/36/84/78/554368478.db2.gz	OLUMTRSJYHMGQU-UHFFFAOYSA-N	0	1	481.280	1.975	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)c3cc(S(N)(=O)=O)ccc3OC)CC2)cc1	ZINC000008386156	554569170	/nfs/dbraw/zinc/56/91/70/554569170.db2.gz	ZOKFQLHYKCPONY-UHFFFAOYSA-N	0	1	462.572	1.293	50	10		JDCAMN
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000008443115	554592719	/nfs/dbraw/zinc/59/27/19/554592719.db2.gz	LDSWZLXBUBNHTG-ZHZULCJRSA-N	0	1	480.502	1.763	50	10		JDCAMN
CN1C(=O)C(=Cc2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)C(=O)N(C)C1=O	ZINC000020308281	555764201	/nfs/dbraw/zinc/76/42/01/555764201.db2.gz	XYMCRXFLELCDHJ-UHFFFAOYSA-N	0	1	486.532	1.451	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020566201	555820188	/nfs/dbraw/zinc/82/01/88/555820188.db2.gz	BFLLMGXTOGRSPH-NSNOHRKYSA-N	0	1	471.897	1.361	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000020567045	555820916	/nfs/dbraw/zinc/82/09/16/555820916.db2.gz	WTNRNUUVOJWIHG-MDTICMOCSA-N	0	1	469.469	1.237	50	10		JDCAMN
O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	ZINC000020572365	555824152	/nfs/dbraw/zinc/82/41/52/555824152.db2.gz	QTYHDEYVUZUWMA-RMGAEQRLSA-N	0	1	497.935	1.893	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)N3c4cc(C)nn4CCC3=O)CC2)cc1	ZINC000015728599	555968620	/nfs/dbraw/zinc/96/86/20/555968620.db2.gz	JUJTZCZVCFXUEH-LJQANCHMSA-N	0	1	454.575	1.654	50	10		JDCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000022999009	555999178	/nfs/dbraw/zinc/99/91/78/555999178.db2.gz	QUENRVJBJVNQHH-OAQYLSRUSA-N	0	1	454.531	1.704	50	10		JDCAMN
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016021949	556114453	/nfs/dbraw/zinc/11/44/53/556114453.db2.gz	RVQMDJULQXGYBV-RSOWOLOUSA-N	0	1	453.470	1.999	50	10		JDCAMN
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016024698	556115436	/nfs/dbraw/zinc/11/54/36/556115436.db2.gz	ODYPHDYPIVVQSP-BATOJLOWSA-N	0	1	453.470	1.999	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016025093	556116026	/nfs/dbraw/zinc/11/60/26/556116026.db2.gz	WTNRNUUVOJWIHG-QJHDXQOESA-N	0	1	469.469	1.237	50	10		JDCAMN
O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	ZINC000016026536	556116373	/nfs/dbraw/zinc/11/63/73/556116373.db2.gz	PHCYXDNBYNOINN-WRNJSPSRSA-N	0	1	463.490	1.240	50	10	biogenic	JDCAMN
Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000067604554	569688755	/nfs/dbraw/zinc/68/87/55/569688755.db2.gz	UPFVTMHXIRAVDP-UHFFFAOYSA-N	0	1	472.611	1.698	50	10		JDCAMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1c(C)no[n+]1[O-]	ZINC000001208757	194070642	/nfs/dbraw/zinc/07/06/42/194070642.db2.gz	WOHPLOKDTOMANX-UHFFFAOYSA-N	0	1	453.205	1.556	50	10		JDCAMN
CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n[nH]2)ccc1OC	ZINC000021806270	195323743	/nfs/dbraw/zinc/32/37/43/195323743.db2.gz	GGOMRQAXLQLIRK-UHFFFAOYSA-N	0	1	485.566	1.964	50	10		JDCAMN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000058133124	195365414	/nfs/dbraw/zinc/36/54/14/195365414.db2.gz	ULDKCTIHAMPFFR-ROUUACIJSA-N	0	1	460.600	1.991	50	10		JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(F)cc4)C1=O)[N@H+](C)CC3)OCO2	ZINC000020410641	521889544	/nfs/dbraw/zinc/88/95/44/521889544.db2.gz	JPOZSMQKILBVIW-BRVCPTFNSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(F)cc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000020410641	521889553	/nfs/dbraw/zinc/88/95/53/521889553.db2.gz	JPOZSMQKILBVIW-BRVCPTFNSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735080	523920587	/nfs/dbraw/zinc/92/05/87/523920587.db2.gz	MFRNLGPSFZGLNM-HSZRJFAPSA-N	0	1	493.608	1.884	50	10		JDCAMN
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCN(C)CC3)ccc21	ZINC000022734275	523999170	/nfs/dbraw/zinc/99/91/70/523999170.db2.gz	RSVHPWJJHSMIDT-QHCPKHFHSA-N	0	1	453.562	1.539	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(OC)c1	ZINC000022734337	524458970	/nfs/dbraw/zinc/45/89/70/524458970.db2.gz	NFNDHDUKARSVEU-QHCPKHFHSA-N	0	1	481.597	1.740	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC	ZINC000022734438	524459420	/nfs/dbraw/zinc/45/94/20/524459420.db2.gz	CNQAQXNVYUILAO-QFIPXVFZSA-N	0	1	481.597	1.740	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	ZINC000022734223	524462639	/nfs/dbraw/zinc/46/26/39/524462639.db2.gz	MDZFTBNVBPKNKI-HSZRJFAPSA-N	0	1	451.571	1.731	50	10		JDCAMN
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC	ZINC000022735788	525064838	/nfs/dbraw/zinc/06/48/38/525064838.db2.gz	VVBSLFQIHUMPTL-JOCHJYFZSA-N	0	1	474.627	1.963	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)CSc4ncccc43)CC2)cc1	ZINC000008912878	554803839	/nfs/dbraw/zinc/80/38/39/554803839.db2.gz	OFFOTSSUZMSCBX-UHFFFAOYSA-N	0	1	455.584	1.857	50	10		JDCAMN
CN1C(=O)N(C)C(=O)C2(Cc3cc(N=CC4C(=O)OC(C)(C)OC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009253059	555028201	/nfs/dbraw/zinc/02/82/01/555028201.db2.gz	ROJJFICFYWNORJ-KRWDZBQOSA-N	0	1	482.493	1.380	50	10		JDCAMN
CC(C)N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009347838	555113795	/nfs/dbraw/zinc/11/37/95/555113795.db2.gz	AKPNYCMWJOZZBN-QIPHDZALSA-N	0	1	493.520	1.119	50	10		JDCAMN
C[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)CC1	ZINC000013427238	555400265	/nfs/dbraw/zinc/40/02/65/555400265.db2.gz	ZWGAPWJALNBPIH-OWBHPGMISA-N	0	1	459.553	1.122	50	10		JDCAMN
C[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)CC1	ZINC000013427240	555400296	/nfs/dbraw/zinc/40/02/96/555400296.db2.gz	OSGZLTYVGCIBQN-SQFISAMPSA-N	0	1	473.580	1.512	50	10		JDCAMN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)cc1	ZINC000020113058	555650602	/nfs/dbraw/zinc/65/06/02/555650602.db2.gz	KZTLRQIDAKNVAY-PNDHZVEESA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)cc1	ZINC000020113058	555650607	/nfs/dbraw/zinc/65/06/07/555650607.db2.gz	KZTLRQIDAKNVAY-PNDHZVEESA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccc(N2CCN(CCn3c(C)c(C)n4c3nc3c4c(=O)[nH]c(=O)n3C)CC2)cc1	ZINC000010233908	555658869	/nfs/dbraw/zinc/65/88/69/555658869.db2.gz	PZQVTZGMIBNAKX-UHFFFAOYSA-N	0	1	451.531	1.124	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020548491	555806661	/nfs/dbraw/zinc/80/66/61/555806661.db2.gz	PYERTANNXKMVBR-PAXILDSZSA-N	0	1	485.924	1.751	50	10		JDCAMN
O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	ZINC000015971618	556096723	/nfs/dbraw/zinc/09/67/23/556096723.db2.gz	PXKQEAOIWCWYKN-WRNJSPSRSA-N	0	1	497.935	1.893	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccccc21	ZINC000016022017	556114407	/nfs/dbraw/zinc/11/44/07/556114407.db2.gz	CSNLNONVRFILBH-XXPWESIGSA-N	0	1	451.479	1.097	50	10		JDCAMN
Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1	ZINC000016734523	556155827	/nfs/dbraw/zinc/15/58/27/556155827.db2.gz	YLZKIEUODABUPA-VBKFSLOCSA-N	0	1	487.607	1.821	50	10		JDCAMN
COc1ccc(CCN2C(=O)NC(=O)C(=CNNC(=S)Nc3ccccc3)C2=O)cc1OC	ZINC000017247390	556247178	/nfs/dbraw/zinc/24/71/78/556247178.db2.gz	FGFHLHKJLHQOKX-SSZFMOIBSA-N	0	1	469.523	1.904	50	10		JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(F)c4)C1=O)[N@H+](C)CC3)OCO2	ZINC000019363398	556345427	/nfs/dbraw/zinc/34/54/27/556345427.db2.gz	YDTPXDHQRCTYKK-RNIVLKNTSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(F)c4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000019363398	556345429	/nfs/dbraw/zinc/34/54/29/556345429.db2.gz	YDTPXDHQRCTYKK-RNIVLKNTSA-N	0	1	482.468	1.849	50	10	biogenic	JDCAMN
COc1ccc(N2CCN(CCn3c(C)c(C)n4c3nc3c4c(=O)n(C)c(=O)n3C)CC2)cc1	ZINC000008706183	569594375	/nfs/dbraw/zinc/59/43/75/569594375.db2.gz	DXSJWIRHZSUURW-UHFFFAOYSA-N	0	1	465.558	1.134	50	10		JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O	ZINC000104094154	569840770	/nfs/dbraw/zinc/84/07/70/569840770.db2.gz	SZNOMHVISQKAQU-JMPLCFMRSA-N	0	1	494.504	1.718	50	10		JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O	ZINC000104094154	569840771	/nfs/dbraw/zinc/84/07/71/569840771.db2.gz	SZNOMHVISQKAQU-JMPLCFMRSA-N	0	1	494.504	1.718	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O	ZINC000247880660	570070636	/nfs/dbraw/zinc/07/06/36/570070636.db2.gz	PYERTANNXKMVBR-LGIZFMHMSA-N	0	1	485.924	1.751	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CNS(=O)(=O)c3cccs3)CC2)cc1	ZINC000004734419	194394570	/nfs/dbraw/zinc/39/45/70/194394570.db2.gz	IUXDDSWFMMSONV-UHFFFAOYSA-N	0	1	452.602	1.364	50	10		JDCAMN
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCCCC3)ccc21	ZINC000021887190	195325271	/nfs/dbraw/zinc/32/52/71/195325271.db2.gz	QQLZDCZIIGMUOP-QHCPKHFHSA-N	0	1	457.619	1.161	50	10		JDCAMN
CCn1c2ccccc2n(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c(=O)c1=O	ZINC000021944036	195339951	/nfs/dbraw/zinc/33/99/51/195339951.db2.gz	GCHNTZZXPHUCRE-UHFFFAOYSA-N	0	1	479.581	1.520	50	10		JDCAMN
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734568	519741150	/nfs/dbraw/zinc/74/11/50/519741150.db2.gz	QHXRFPPNIPWCBF-DEOSSOPVSA-N	0	1	478.597	1.681	50	10		JDCAMN
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734572	519741351	/nfs/dbraw/zinc/74/13/51/519741351.db2.gz	QHXRFPPNIPWCBF-XMMPIXPASA-N	0	1	478.597	1.681	50	10		JDCAMN
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000095470970	520893773	/nfs/dbraw/zinc/89/37/73/520893773.db2.gz	HMVPGNXHFMGNCN-PXLXIMEGSA-N	0	1	472.567	1.997	50	10		JDCAMN
COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	ZINC000008496730	522084224	/nfs/dbraw/zinc/08/42/24/522084224.db2.gz	MJTIRGAAZAAKCI-PDGQHHTCSA-N	0	1	467.459	1.842	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735041	523916128	/nfs/dbraw/zinc/91/61/28/523916128.db2.gz	QTOLPSQGKUCBTC-DEOSSOPVSA-N	0	1	467.589	1.929	50	10		JDCAMN
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000035375340	523946251	/nfs/dbraw/zinc/94/62/51/523946251.db2.gz	ODYPHDYPIVVQSP-LIBFDHGXSA-N	0	1	453.470	1.999	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)CC2)cc1	ZINC000033068443	524423354	/nfs/dbraw/zinc/42/33/54/524423354.db2.gz	CMHHYODIUMIEMX-UHFFFAOYSA-N	0	1	465.554	1.037	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000040017222	524424261	/nfs/dbraw/zinc/42/42/61/524424261.db2.gz	WXSIRMOLATZIFU-HXUWFJFHSA-N	0	1	474.627	1.999	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC	ZINC000022734435	524461447	/nfs/dbraw/zinc/46/14/47/524461447.db2.gz	CNQAQXNVYUILAO-JOCHJYFZSA-N	0	1	481.597	1.740	50	10		JDCAMN
O=C1Nc2c(cccc2Cl)[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	ZINC000015972307	527087707	/nfs/dbraw/zinc/08/77/07/527087707.db2.gz	QTYHDEYVUZUWMA-HPDGCZPKSA-N	0	1	497.935	1.893	50	10		JDCAMN
CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000000666824	553742919	/nfs/dbraw/zinc/74/29/19/553742919.db2.gz	MIBPMEVYJBKNKV-BOPFTXTBSA-N	0	1	454.435	1.885	50	10		JDCAMN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(C)(=O)=O)ccc1NS(C)(=O)=O	ZINC000008870405	554765425	/nfs/dbraw/zinc/76/54/25/554765425.db2.gz	KFQZUAWSCSMCGI-LBPRGKRZSA-N	0	1	460.452	1.596	50	10		JDCAMN
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000013572269	555510645	/nfs/dbraw/zinc/51/06/45/555510645.db2.gz	RVQMDJULQXGYBV-UNKHORCTSA-N	0	1	453.470	1.999	50	10		JDCAMN
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000013572267	555510672	/nfs/dbraw/zinc/51/06/72/555510672.db2.gz	RVQMDJULQXGYBV-PAXILDSZSA-N	0	1	453.470	1.999	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21	ZINC000013575805	555514639	/nfs/dbraw/zinc/51/46/39/555514639.db2.gz	WTNRNUUVOJWIHG-AYFLJRIOSA-N	0	1	469.469	1.237	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020566199	555820145	/nfs/dbraw/zinc/82/01/45/555820145.db2.gz	BFLLMGXTOGRSPH-JYISGYRJSA-N	0	1	471.897	1.361	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000020566759	555820697	/nfs/dbraw/zinc/82/06/97/555820697.db2.gz	HTAZJWGWTPBPLV-KHTISZTLSA-N	0	1	465.506	1.324	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cccc2Cl	ZINC000016021972	556114466	/nfs/dbraw/zinc/11/44/66/556114466.db2.gz	PYERTANNXKMVBR-WDEBQMKVSA-N	0	1	485.924	1.751	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016024504	556115080	/nfs/dbraw/zinc/11/50/80/556115080.db2.gz	BFLLMGXTOGRSPH-ZMHGRXQUSA-N	0	1	471.897	1.361	50	10		JDCAMN
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)CC1	ZINC000012930588	556147598	/nfs/dbraw/zinc/14/75/98/556147598.db2.gz	YUKQSJHWCSILLZ-VKAVYKQESA-N	0	1	473.624	1.992	50	10		JDCAMN
O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)N1CCOCC1	ZINC000017137989	556224094	/nfs/dbraw/zinc/22/40/94/556224094.db2.gz	SESFDBCPVCJPSR-UNOMPAQXSA-N	0	1	462.462	1.960	50	10		JDCAMN
COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000017138073	556224104	/nfs/dbraw/zinc/22/41/04/556224104.db2.gz	RHZOLPZVZNFIQL-WQRHYEAKSA-N	0	1	450.451	1.863	50	10		JDCAMN
COc1ccc(N2CCN(C(=O)CCN3CCN(c4cc(C)nc5ncnn54)CC3)CC2)cc1	ZINC000029723393	556356187	/nfs/dbraw/zinc/35/61/87/556356187.db2.gz	UZNJAYTYNSCSQP-UHFFFAOYSA-N	0	1	464.574	1.302	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CCn3nc(C)c4c(C)onc4c3=O)CC2)cc1	ZINC000085602526	569711131	/nfs/dbraw/zinc/71/11/31/569711131.db2.gz	RFTFITOFTLASLM-UHFFFAOYSA-N	0	1	468.558	1.729	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O	ZINC000247880662	570070645	/nfs/dbraw/zinc/07/06/45/570070645.db2.gz	PYERTANNXKMVBR-UDQIJZATSA-N	0	1	485.924	1.751	50	10		JDCAMN
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1	ZINC000023080599	522249898	/nfs/dbraw/zinc/24/98/98/522249898.db2.gz	FXUIZEVXRCCPEM-NRFANRHFSA-N	0	1	460.600	1.791	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735224	523916182	/nfs/dbraw/zinc/91/61/82/523916182.db2.gz	BOCBUTXFOACUOC-VWLOTQADSA-N	0	1	463.626	1.833	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735089	523917046	/nfs/dbraw/zinc/91/70/46/523917046.db2.gz	BRKSUAQGYOYQMQ-QHCPKHFHSA-N	0	1	493.608	1.519	50	10		JDCAMN
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCN(C)CC3)ccc21	ZINC000022734319	523998217	/nfs/dbraw/zinc/99/82/17/523998217.db2.gz	RFWZMHAXLNGFPW-JOCHJYFZSA-N	0	1	479.581	1.494	50	10		JDCAMN
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCN(C)CC3)ccc21	ZINC000022734284	523998341	/nfs/dbraw/zinc/99/83/41/523998341.db2.gz	OWLFNBKHGKVXRC-OAQYLSRUSA-N	0	1	465.554	1.451	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1	ZINC000022809505	524045159	/nfs/dbraw/zinc/04/51/59/524045159.db2.gz	MMVKUSWMUVOYRU-QHCPKHFHSA-N	0	1	453.587	1.482	50	10		JDCAMN
COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	ZINC000022809543	524458373	/nfs/dbraw/zinc/45/83/73/524458373.db2.gz	KADPPKXDOLBJTF-QFIPXVFZSA-N	0	1	453.587	1.482	50	10		JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O	ZINC000020410757	524536223	/nfs/dbraw/zinc/53/62/23/524536223.db2.gz	SZNOMHVISQKAQU-HKBKRHGFSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O	ZINC000020410757	524536231	/nfs/dbraw/zinc/53/62/31/524536231.db2.gz	SZNOMHVISQKAQU-HKBKRHGFSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	ZINC000022734510	524583631	/nfs/dbraw/zinc/58/36/31/524583631.db2.gz	YFJCOXAUTBRYEM-QFIPXVFZSA-N	0	1	451.571	1.731	50	10		JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(CCc4ccccc4)C1=O)[N@H+](C)CC3)OCO2	ZINC000002145666	554066403	/nfs/dbraw/zinc/06/64/03/554066403.db2.gz	YUEJVCDFIXZBTI-CWDSQJGSSA-N	0	1	492.532	1.748	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(CCc4ccccc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000002145666	554066405	/nfs/dbraw/zinc/06/64/05/554066405.db2.gz	YUEJVCDFIXZBTI-CWDSQJGSSA-N	0	1	492.532	1.748	50	10	biogenic	JDCAMN
COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1	ZINC000002784948	554343713	/nfs/dbraw/zinc/34/37/13/554343713.db2.gz	RCLPCEBAQRSMGL-UHFFFAOYSA-N	0	1	481.280	1.975	50	10		JDCAMN
COC(=O)c1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000008443109	554592708	/nfs/dbraw/zinc/59/27/08/554592708.db2.gz	JTVWJPPREMYXND-UYRXBGFRSA-N	0	1	466.475	1.373	50	10		JDCAMN
Cn1c(=O)c2nc3ccc(NC=C4C(=O)NC(=O)N(Cc5ccccc5)C4=O)cc3nc2n(C)c1=O	ZINC000008814529	554696739	/nfs/dbraw/zinc/69/67/39/554696739.db2.gz	CTBQKGDAZLTQNP-PTNGSMBKSA-N	0	1	485.460	1.595	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4cccnc43)CC2)cc1	ZINC000009114968	554901698	/nfs/dbraw/zinc/90/16/98/554901698.db2.gz	AMWSWALKGNCXCX-UHFFFAOYSA-N	0	1	474.565	1.986	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020548493	555806644	/nfs/dbraw/zinc/80/66/44/555806644.db2.gz	PYERTANNXKMVBR-UNKHORCTSA-N	0	1	485.924	1.751	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020566000	555820179	/nfs/dbraw/zinc/82/01/79/555820179.db2.gz	JJVGZQQXVJBPOH-MDTICMOCSA-N	0	1	485.924	1.751	50	10		JDCAMN
COc1ccc(CCN2C(=O)NC(=O)C(=CN[C@@H](CO)Cc3ccccc3)C2=O)cc1OC	ZINC000020591831	555838355	/nfs/dbraw/zinc/83/83/55/555838355.db2.gz	WTZUHVXGNZAILR-GXYBQNOFSA-N	0	1	453.495	1.402	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)N3c4cc(C)nn4CCC3=O)CC2)cc1	ZINC000015728600	555968591	/nfs/dbraw/zinc/96/85/91/555968591.db2.gz	JUJTZCZVCFXUEH-IBGZPJMESA-N	0	1	454.575	1.654	50	10		JDCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000022999007	555999099	/nfs/dbraw/zinc/99/90/99/555999099.db2.gz	QUENRVJBJVNQHH-NRFANRHFSA-N	0	1	454.531	1.704	50	10		JDCAMN
CN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccc(N2CCOCC2)cc1	ZINC000012533898	556005821	/nfs/dbraw/zinc/00/58/21/556005821.db2.gz	VNXBLYMNVYKRGH-UHFFFAOYSA-N	0	1	483.588	1.877	50	10		JDCAMN
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21	ZINC000016021950	556114336	/nfs/dbraw/zinc/11/43/36/556114336.db2.gz	RVQMDJULQXGYBV-WDEBQMKVSA-N	0	1	453.470	1.999	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016024900	556115691	/nfs/dbraw/zinc/11/56/91/556115691.db2.gz	HTAZJWGWTPBPLV-HOKASXAUSA-N	0	1	465.506	1.324	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)cc1	ZINC000032937312	556552405	/nfs/dbraw/zinc/55/24/05/556552405.db2.gz	FUIDLOIQVIFZFC-UHFFFAOYSA-N	0	1	473.961	1.715	50	10		JDCAMN
CN1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1	ZINC000065362936	569675299	/nfs/dbraw/zinc/67/52/99/569675299.db2.gz	XWHUMZVOTCNITR-UHFFFAOYSA-N	0	1	471.627	1.305	50	10		JDCAMN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000065364589	569675511	/nfs/dbraw/zinc/67/55/11/569675511.db2.gz	ROMKKUQDZGSFCK-UHFFFAOYSA-N	0	1	488.610	1.398	50	10		JDCAMN
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(N3CC[NH+](C)CC3)nc12	ZINC000002520569	194162190	/nfs/dbraw/zinc/16/21/90/194162190.db2.gz	JSIRXCNKEOPEBU-QINSGFPZSA-N	0	1	473.580	1.431	50	10		JDCAMN
O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	ZINC000020758800	195216717	/nfs/dbraw/zinc/21/67/17/195216717.db2.gz	PHCYXDNBYNOINN-QJERTUCVSA-N	0	1	463.490	1.240	50	10	biogenic	JDCAMN
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CCCCC3)ccc21	ZINC000021887185	195325195	/nfs/dbraw/zinc/32/51/95/195325195.db2.gz	QQLZDCZIIGMUOP-HSZRJFAPSA-N	0	1	457.619	1.161	50	10		JDCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1	ZINC000022809770	522240826	/nfs/dbraw/zinc/24/08/26/522240826.db2.gz	ARXSPRJNRTZMDB-OAQYLSRUSA-N	0	1	467.570	1.567	50	10		JDCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1	ZINC000022809755	522242095	/nfs/dbraw/zinc/24/20/95/522242095.db2.gz	NMLWZNAXOMPJCH-HXUWFJFHSA-N	0	1	453.543	1.525	50	10		JDCAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735047	523918735	/nfs/dbraw/zinc/91/87/35/523918735.db2.gz	VHVAVMKAMHZMEV-QFIPXVFZSA-N	0	1	479.581	1.841	50	10		JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735105	523919900	/nfs/dbraw/zinc/91/99/00/523919900.db2.gz	FTVHOFCPKVTBLL-JOCHJYFZSA-N	0	1	455.628	1.852	50	10		JDCAMN
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCN(C)CC3)ccc21	ZINC000022734281	523999204	/nfs/dbraw/zinc/99/92/04/523999204.db2.gz	OWLFNBKHGKVXRC-NRFANRHFSA-N	0	1	465.554	1.451	50	10		JDCAMN
COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	ZINC000022809548	524458197	/nfs/dbraw/zinc/45/81/97/524458197.db2.gz	KADPPKXDOLBJTF-JOCHJYFZSA-N	0	1	453.587	1.482	50	10		JDCAMN
COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734208	524845015	/nfs/dbraw/zinc/84/50/15/524845015.db2.gz	ADENVIOOZAQKNO-QHCPKHFHSA-N	0	1	481.597	1.740	50	10		JDCAMN
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1OC	ZINC000022735791	525061166	/nfs/dbraw/zinc/06/11/66/525061166.db2.gz	VVBSLFQIHUMPTL-QFIPXVFZSA-N	0	1	474.627	1.963	50	10		JDCAMN
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)c1	ZINC000002099491	554042017	/nfs/dbraw/zinc/04/20/17/554042017.db2.gz	NHGYSPDUAZAMPI-UWKDKTGGSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)c1	ZINC000002099491	554042020	/nfs/dbraw/zinc/04/20/20/554042020.db2.gz	NHGYSPDUAZAMPI-UWKDKTGGSA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCOC)C2=O)CC1	ZINC000006512642	554548579	/nfs/dbraw/zinc/54/85/79/554548579.db2.gz	YUKQSJHWCSILLZ-SAPNQHFASA-N	0	1	473.624	1.992	50	10		JDCAMN
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCOC)C2=O)CC1	ZINC000009272394	555045117	/nfs/dbraw/zinc/04/51/17/555045117.db2.gz	UUSZNPOMQHJAQO-LGMDPLHJSA-N	0	1	473.624	1.992	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccccc21	ZINC000013572491	555511261	/nfs/dbraw/zinc/51/12/61/555511261.db2.gz	CSNLNONVRFILBH-AYFLJRIOSA-N	0	1	451.479	1.097	50	10		JDCAMN
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)C2=O)c1	ZINC000020113044	555650638	/nfs/dbraw/zinc/65/06/38/555650638.db2.gz	NHGYSPDUAZAMPI-PNDHZVEESA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)C2=O)c1	ZINC000020113044	555650641	/nfs/dbraw/zinc/65/06/41/555650641.db2.gz	NHGYSPDUAZAMPI-PNDHZVEESA-N	0	1	494.504	1.718	50	10	biogenic	JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020565998	555820219	/nfs/dbraw/zinc/82/02/19/555820219.db2.gz	JJVGZQQXVJBPOH-AYFLJRIOSA-N	0	1	485.924	1.751	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000020566971	555820952	/nfs/dbraw/zinc/82/09/52/555820952.db2.gz	LYPFVUYZWXGCQE-LZISPXOZSA-N	0	1	465.506	1.324	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000020566973	555821177	/nfs/dbraw/zinc/82/11/77/555821177.db2.gz	LYPFVUYZWXGCQE-KHTISZTLSA-N	0	1	465.506	1.324	50	10		JDCAMN
COc1ccc(CCN2C(=O)NC(=O)C(=CN[C@H](CO)Cc3ccccc3)C2=O)cc1OC	ZINC000020591833	555838341	/nfs/dbraw/zinc/83/83/41/555838341.db2.gz	WTZUHVXGNZAILR-OWBBTNHHSA-N	0	1	453.495	1.402	50	10		JDCAMN
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000022999011	555999259	/nfs/dbraw/zinc/99/92/59/555999259.db2.gz	XGMBAVKXPSRBBS-NRFANRHFSA-N	0	1	454.531	1.704	50	10		JDCAMN
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCN(C)CC2)cc1	ZINC000023080601	556007094	/nfs/dbraw/zinc/00/70/94/556007094.db2.gz	FXUIZEVXRCCPEM-OAQYLSRUSA-N	0	1	460.600	1.791	50	10		JDCAMN
Cc1ccc2nc(N3CC[NH+](C)CC3)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(=O)n2c1	ZINC000016734529	556155956	/nfs/dbraw/zinc/15/59/56/556155956.db2.gz	FNMCTRKPEBHUSW-PTNGSMBKSA-N	0	1	473.580	1.431	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O	ZINC000247816099	570069724	/nfs/dbraw/zinc/06/97/24/570069724.db2.gz	BFLLMGXTOGRSPH-LONFEIEESA-N	0	1	471.897	1.361	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O	ZINC000247816096	570069742	/nfs/dbraw/zinc/06/97/42/570069742.db2.gz	BFLLMGXTOGRSPH-LEWJJULVSA-N	0	1	471.897	1.361	50	10		JDCAMN
CCOC(=O)COc1ccc(/C=C2\C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000033333429	520800851	/nfs/dbraw/zinc/80/08/51/520800851.db2.gz	MIBPMEVYJBKNKV-GZTJUZNOSA-N	0	1	454.435	1.885	50	10		JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(CCc4ccccc4)C1=O)[N@H+](C)CC3)OCO2	ZINC000020410733	521890569	/nfs/dbraw/zinc/89/05/69/521890569.db2.gz	YUEJVCDFIXZBTI-LJLZWOEMSA-N	0	1	492.532	1.748	50	10	biogenic	JDCAMN
COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(CCc4ccccc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000020410733	521890580	/nfs/dbraw/zinc/89/05/80/521890580.db2.gz	YUEJVCDFIXZBTI-LJLZWOEMSA-N	0	1	492.532	1.748	50	10	biogenic	JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735044	523919744	/nfs/dbraw/zinc/91/97/44/523919744.db2.gz	QTOLPSQGKUCBTC-XMMPIXPASA-N	0	1	467.589	1.929	50	10		JDCAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735050	523920257	/nfs/dbraw/zinc/92/02/57/523920257.db2.gz	VHVAVMKAMHZMEV-JOCHJYFZSA-N	0	1	479.581	1.841	50	10		JDCAMN
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	ZINC000022735086	524044779	/nfs/dbraw/zinc/04/47/79/524044779.db2.gz	CHFDKGUPUNNDSG-VWLOTQADSA-N	0	1	479.625	1.799	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1	ZINC000012514484	524423465	/nfs/dbraw/zinc/42/34/65/524423465.db2.gz	AGXUOOQTDHNUMD-SZPZYZBQSA-N	0	1	456.587	1.889	50	10		JDCAMN
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	ZINC000022734226	524460151	/nfs/dbraw/zinc/46/01/51/524460151.db2.gz	MDZFTBNVBPKNKI-QHCPKHFHSA-N	0	1	451.571	1.731	50	10		JDCAMN
COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	ZINC000022734507	524583847	/nfs/dbraw/zinc/58/38/47/524583847.db2.gz	YFJCOXAUTBRYEM-JOCHJYFZSA-N	0	1	451.571	1.731	50	10		JDCAMN
COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1	ZINC000022734412	526166280	/nfs/dbraw/zinc/16/62/80/526166280.db2.gz	MNGHJLSHNRDDPO-HSZRJFAPSA-N	0	1	451.571	1.731	50	10		JDCAMN
COc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000002397034	554183324	/nfs/dbraw/zinc/18/33/24/554183324.db2.gz	BQXYVAPKHRICFU-FOWTUZBSSA-N	0	1	453.451	1.727	50	10		JDCAMN
COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000002785392	554344121	/nfs/dbraw/zinc/34/41/21/554344121.db2.gz	XJTQGWJRUFWMHZ-UHFFFAOYSA-N	0	1	459.436	1.171	50	10		JDCAMN
O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N1	ZINC000002828820	554367417	/nfs/dbraw/zinc/36/74/17/554367417.db2.gz	CYXNDDXOOBNRSA-UHFFFAOYSA-N	0	1	451.254	1.966	50	10		JDCAMN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000013575255	555513746	/nfs/dbraw/zinc/51/37/46/555513746.db2.gz	HTAZJWGWTPBPLV-LZISPXOZSA-N	0	1	465.506	1.324	50	10		JDCAMN
COc1ccc(N2CCN(CCCNC(=O)C3=C(C)C(=O)OC34CCN(C(C)=O)CC4)CC2)cc1	ZINC000020531853	555799729	/nfs/dbraw/zinc/79/97/29/555799729.db2.gz	JSBMGUCLFKCGPU-UHFFFAOYSA-N	0	1	484.597	1.578	50	10	biogenic	JDCAMN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000022999013	555999201	/nfs/dbraw/zinc/99/92/01/555999201.db2.gz	XGMBAVKXPSRBBS-OAQYLSRUSA-N	0	1	454.531	1.704	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccccc21	ZINC000016022016	556114332	/nfs/dbraw/zinc/11/43/32/556114332.db2.gz	CSNLNONVRFILBH-QJHDXQOESA-N	0	1	451.479	1.097	50	10		JDCAMN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016022283	556115067	/nfs/dbraw/zinc/11/50/67/556115067.db2.gz	JJVGZQQXVJBPOH-XXPWESIGSA-N	0	1	485.924	1.751	50	10		JDCAMN
CCCCN1C(=O)NC(=O)/C(=C\c2c(CCN(C)C(=S)NC)cc3c(c2OC)OCO3)C1=O	ZINC000017196316	556238463	/nfs/dbraw/zinc/23/84/63/556238463.db2.gz	HLAKFYIOYFPVBN-RVDMUPIBSA-N	0	1	476.555	1.664	50	10	biogenic	JDCAMN
COc1ccc(N2CCN(CCCNC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1	ZINC000102186059	569810897	/nfs/dbraw/zinc/81/08/97/569810897.db2.gz	AGXUOOQTDHNUMD-VXKWHMMOSA-N	0	1	456.587	1.889	50	10		JDCAMN