smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCN(c4ccccc4OC)CC3)CC[C@@H]2O)cc1	ZINC000030879326	291473721	/nfs/dbraw/zinc/47/37/21/291473721.db2.gz	NWHNPXSUBFLEHD-GVUKDKGQSA-N	0	3	483.609	2.441	40	0	biogenic,in-vitro	JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674827	195199381	/nfs/dbraw/zinc/19/93/81/195199381.db2.gz	MJOKSEIGXORQOF-FGZHOGPDSA-N	0	3	484.528	2.458	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674788	195199529	/nfs/dbraw/zinc/19/95/29/195199529.db2.gz	PUYZVHGVWWLOOB-SFTDATJTSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674661	195199540	/nfs/dbraw/zinc/19/95/40/195199540.db2.gz	FZVMLWMHNQFCHR-FCHUYYIVSA-N	0	3	482.512	2.078	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674845	195199862	/nfs/dbraw/zinc/19/98/62/195199862.db2.gz	DVRYKBCLABYDNQ-PKTZIBPZSA-N	0	3	496.564	2.328	40	0		JEABHN
CN1CCN(CCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000022829907	523899394	/nfs/dbraw/zinc/89/93/94/523899394.db2.gz	YTIPTNLVYFAVLW-UHFFFAOYSA-N	0	3	462.591	2.159	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000022530307	555931584	/nfs/dbraw/zinc/93/15/84/555931584.db2.gz	GOOXYXPWCFFKHG-YADHBBJMSA-N	0	3	450.539	2.219	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000022741678	555949604	/nfs/dbraw/zinc/94/96/04/555949604.db2.gz	GXSKSSXOOXKTOI-FGZHOGPDSA-N	0	3	484.528	2.458	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817734	556384184	/nfs/dbraw/zinc/38/41/84/556384184.db2.gz	ZPXWUTNOIXUBSQ-FGZHOGPDSA-N	0	3	466.538	2.232	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817764	556384216	/nfs/dbraw/zinc/38/42/16/556384216.db2.gz	ZBKGDTIHDXHAOC-XZOQPEGZSA-N	0	3	480.565	2.228	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817823	556384241	/nfs/dbraw/zinc/38/42/41/556384241.db2.gz	MXLFSBMTMGVKBF-FGZHOGPDSA-N	0	3	484.528	2.371	40	0		JEABHN
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H]2CN3CC[C@H]2C[C@@H]3C[N-]S(=O)(=O)c2cccs2)C1	ZINC000067870825	560050590	/nfs/dbraw/zinc/05/05/90/560050590.db2.gz	HSTCDGSPTYQRTA-JRSUCEMESA-N	0	3	488.679	2.018	40	0	biogenic,in-vitro	JEABHN
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H]2CN3CC[C@H]2C[C@@H]3C[N-]S(=O)(=O)c2cccs2)C1	ZINC000067870825	560050591	/nfs/dbraw/zinc/05/05/91/560050591.db2.gz	HSTCDGSPTYQRTA-JRSUCEMESA-N	0	3	488.679	2.018	40	0	biogenic,in-vitro	JEABHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NS(=O)(=O)c4cccc(F)c4)c23)CC1	ZINC000035415767	560081388	/nfs/dbraw/zinc/08/13/88/560081388.db2.gz	VBGWNFMRKBLSPR-ZWKOTPCHSA-N	0	3	488.585	2.218	40	0	biogenic,in-vitro	JEABHN
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1	ZINC000008298769	560208472	/nfs/dbraw/zinc/20/84/72/560208472.db2.gz	GPIOAEFPCKTEPF-DSKINZAPSA-N	0	3	461.522	2.406	40	0	biogenic,in-vitro	JEABHN
COc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cc1	ZINC000096056170	569732563	/nfs/dbraw/zinc/73/25/63/569732563.db2.gz	PGMCUWPQJXDMMU-OFVILXPXSA-N	0	3	451.571	2.063	40	0		JEABHN
CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncccn4)CC3)C2=O)cc1	ZINC000102405625	569812908	/nfs/dbraw/zinc/81/29/08/569812908.db2.gz	UVFXXAFLYNYLMU-HXUWFJFHSA-N	0	3	451.527	2.324	40	0		JEABHN
COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)N1CCOCC1	ZINC000224775921	569957123	/nfs/dbraw/zinc/95/71/23/569957123.db2.gz	OITYNBBJUXSYDQ-UHFFFAOYSA-N	0	3	473.595	2.242	40	0		JEABHN
CCCn1c(=O)oc2cc(NC(=O)CN3CC[C@](O)(CN4CCC(F)(F)CC4)C3)ccc21	ZINC000257263747	570127434	/nfs/dbraw/zinc/12/74/34/570127434.db2.gz	LRGGZSAVUUVBJV-NRFANRHFSA-N	0	3	452.502	2.111	40	0		JEABHN
CCCn1c(=O)oc2cc(NC(=O)CN3CC[C@@](O)(CN4CCC(F)(F)CC4)C3)ccc21	ZINC000257263748	570127498	/nfs/dbraw/zinc/12/74/98/570127498.db2.gz	LRGGZSAVUUVBJV-OAQYLSRUSA-N	0	3	452.502	2.111	40	0		JEABHN
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CC[C@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257292154	570136196	/nfs/dbraw/zinc/13/61/96/570136196.db2.gz	QKFQVOYGRMSGKE-MHZLTWQESA-N	0	3	484.641	2.261	40	0		JEABHN
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1	ZINC000257328809	570147074	/nfs/dbraw/zinc/14/70/74/570147074.db2.gz	XHFAXWYGPCLSJU-RUZDIDTESA-N	0	3	455.578	2.278	40	0		JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN2CCC[C@H]2C1)OCCO3	ZINC000001222939	194074990	/nfs/dbraw/zinc/07/49/90/194074990.db2.gz	IVFHQUJWUPNRMM-CPJSRVTESA-N	0	3	499.575	2.204	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(C)cc1	ZINC000020674652	195199377	/nfs/dbraw/zinc/19/93/77/195199377.db2.gz	KJSNGIAZEOCWAG-PKTZIBPZSA-N	0	3	478.549	2.248	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674830	195199894	/nfs/dbraw/zinc/19/98/94/195199894.db2.gz	MJOKSEIGXORQOF-FCHUYYIVSA-N	0	3	484.528	2.458	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000022829862	523896551	/nfs/dbraw/zinc/89/65/51/523896551.db2.gz	UWWAMFRQRAFSSW-UHFFFAOYSA-N	0	3	483.009	2.428	40	0		JEABHN
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN4CCC[C@@H]4C3)cc2c1	ZINC000022796537	524058524	/nfs/dbraw/zinc/05/85/24/524058524.db2.gz	RPSAIRVSTJFWPO-VIZSFHNOSA-N	0	3	463.586	2.125	40	0		JEABHN
CCN(CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000006511811	554548710	/nfs/dbraw/zinc/54/87/10/554548710.db2.gz	LKYZNQYHIKKWJM-GOSISDBHSA-N	0	3	488.658	2.339	40	0		JEABHN
CN(C)CCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1	ZINC000010111604	555622864	/nfs/dbraw/zinc/62/28/64/555622864.db2.gz	YQELQAANSRPDCH-UHFFFAOYSA-N	0	3	487.363	2.164	40	0		JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN2CCC[C@@H]2C1)OCCO3	ZINC000020084360	555631619	/nfs/dbraw/zinc/63/16/19/555631619.db2.gz	IVFHQUJWUPNRMM-NLFFAJNJSA-N	0	3	499.575	2.204	40	0		JEABHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccccc1OC	ZINC000010157530	555638543	/nfs/dbraw/zinc/63/85/43/555638543.db2.gz	TVQYKQYDZLMQHY-SFTDATJTSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccccc1OC	ZINC000010157531	555638580	/nfs/dbraw/zinc/63/85/80/555638580.db2.gz	TVQYKQYDZLMQHY-NHCUHLMSSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC(N)=O	ZINC000022107923	555874723	/nfs/dbraw/zinc/87/47/23/555874723.db2.gz	HXPPGCNAOXULRP-UHFFFAOYSA-N	0	3	462.963	2.460	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000022829429	555955392	/nfs/dbraw/zinc/95/53/92/555955392.db2.gz	OTSQUEKBNNFBGX-UHFFFAOYSA-N	0	3	465.019	2.289	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000022829434	555955431	/nfs/dbraw/zinc/95/54/31/555955431.db2.gz	FPHUPKXGYGEBBG-UHFFFAOYSA-N	0	3	465.019	2.289	40	0		JEABHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)N2C)cc1	ZINC000022922366	555975886	/nfs/dbraw/zinc/97/58/86/555975886.db2.gz	SFAMLDMWECSONU-PWWKTKHKSA-N	0	3	468.573	2.304	40	0	biogenic,in-vitro	JEABHN
Cc1ccc(CN(c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000022935161	555987925	/nfs/dbraw/zinc/98/79/25/555987925.db2.gz	ULSDUKJRRNGPBK-UHFFFAOYSA-N	0	3	458.628	2.329	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817741	556384109	/nfs/dbraw/zinc/38/41/09/556384109.db2.gz	ZPXWUTNOIXUBSQ-VXKWHMMOSA-N	0	3	466.538	2.232	40	0		JEABHN
CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1	ZINC000038756465	569807231	/nfs/dbraw/zinc/80/72/31/569807231.db2.gz	QCGXGMNRBJPFOX-UHFFFAOYSA-N	0	3	491.485	2.289	40	0		JEABHN
Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cc(N(C)C)ncn3)C2)nn1C	ZINC000257223720	570115169	/nfs/dbraw/zinc/11/51/69/570115169.db2.gz	DYPMXGDOQKRKIM-JOCHJYFZSA-N	0	3	476.629	2.200	40	0		JEABHN
O=C1CO[C@]2(CN1Cc1ccc(F)cc1)CCCN(Cc1ccnc(N3CCOCC3)n1)CC2	ZINC000257249039	570122889	/nfs/dbraw/zinc/12/28/89/570122889.db2.gz	JGKSPICDRVLPRV-RUZDIDTESA-N	0	3	469.561	2.236	40	0		JEABHN
CN(C)c1cc(N2CCC[C@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1	ZINC000257249576	570123056	/nfs/dbraw/zinc/12/30/56/570123056.db2.gz	JIYZTZVRVKKZHD-SANMLTNESA-N	0	3	482.629	2.055	40	0		JEABHN
COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)N(C)C[C@]3(NC(C)=O)C2)c1	ZINC000257252222	570123818	/nfs/dbraw/zinc/12/38/18/570123818.db2.gz	JTZHDMDEAIWXIA-XCRWMPKNSA-N	0	3	493.608	2.476	40	0		JEABHN
COc1ccc(Nc2ncccc2C(=O)N2CCN(C)C[C@@](O)(Cn3ccnc3C)C2)cc1	ZINC000257258533	570125783	/nfs/dbraw/zinc/12/57/83/570125783.db2.gz	KUKQAHZGHUECFR-XMMPIXPASA-N	0	3	450.543	2.158	40	0		JEABHN
Cc1c(CN2CCC3(CC2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cnn1C	ZINC000257277945	570132023	/nfs/dbraw/zinc/13/20/23/570132023.db2.gz	OACRTYSVBIOJCO-AATRIKPKSA-N	0	3	451.571	2.196	40	0		JEABHN
CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCCCN4CCCC4=O)cc3)[C@@H]2C[C@@]1(C)O	ZINC000257308427	570140889	/nfs/dbraw/zinc/14/08/89/570140889.db2.gz	TWQYBFIPBXOUNW-PMHJDTQVSA-N	0	3	473.614	2.087	40	0		JEABHN
Cc1c(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cnn1C	ZINC000257310920	570141718	/nfs/dbraw/zinc/14/17/18/570141718.db2.gz	UHENMQLJUUAHJI-JOCHJYFZSA-N	0	3	476.629	2.200	40	0		JEABHN
CCn1c2ccc(NC(=O)CN3C[C@]4(NC(C)=O)CN(C)CC[C@@H]4[C@H]3c3ccccc3)cc2oc1=O	ZINC000257314652	570142814	/nfs/dbraw/zinc/14/28/14/570142814.db2.gz	UXXLOXGWXLERJC-FZBZCGEPSA-N	0	3	491.592	2.436	40	0		JEABHN
Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(OCCN3CCCCC3)cc2)CC[C@@H]1O	ZINC000257341513	570150819	/nfs/dbraw/zinc/15/08/19/570150819.db2.gz	ZKRKICKJXXCDHJ-SFTDATJTSA-N	0	3	479.585	2.111	40	0		JEABHN
O=C(COc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1)N1CCCC1	ZINC000257343346	570151407	/nfs/dbraw/zinc/15/14/07/570151407.db2.gz	ZSNNQFASBAXTPX-MUUNZHRXSA-N	0	3	478.637	2.447	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(C)cc1	ZINC000020674655	195199354	/nfs/dbraw/zinc/19/93/54/195199354.db2.gz	KJSNGIAZEOCWAG-GOTSBHOMSA-N	0	3	478.549	2.248	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674667	195199511	/nfs/dbraw/zinc/19/95/11/195199511.db2.gz	FZVMLWMHNQFCHR-VXKWHMMOSA-N	0	3	482.512	2.078	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817841	521093322	/nfs/dbraw/zinc/09/33/22/521093322.db2.gz	GCAWVFFKNOWVOE-GOTSBHOMSA-N	0	3	496.564	2.241	40	0		JEABHN
O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)c1ccccc1	ZINC000008636241	527228115	/nfs/dbraw/zinc/22/81/15/527228115.db2.gz	UEBHZQYZAQMYCV-WPFOTENUSA-N	0	3	454.640	2.498	40	0	biogenic,in-vitro	JEABHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4ccc5c(c4)OCO5)c23)CC1	ZINC000008300421	554565820	/nfs/dbraw/zinc/56/58/20/554565820.db2.gz	BTEDPTDQJXHOLT-PKOBYXMFSA-N	0	3	478.549	2.259	40	0	biogenic,in-vitro	JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000010342447	555694249	/nfs/dbraw/zinc/69/42/49/555694249.db2.gz	UCAOBXHWYCYISH-XZOQPEGZSA-N	0	3	496.564	2.328	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000022530313	555931475	/nfs/dbraw/zinc/93/14/75/555931475.db2.gz	GOOXYXPWCFFKHG-VXKWHMMOSA-N	0	3	450.539	2.219	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000022530302	555931494	/nfs/dbraw/zinc/93/14/94/555931494.db2.gz	GOOXYXPWCFFKHG-FCHUYYIVSA-N	0	3	450.539	2.219	40	0		JEABHN
Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c(C)c1	ZINC000022829413	555955403	/nfs/dbraw/zinc/95/54/03/555955403.db2.gz	BBZYCIADDIIASC-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
COc1ccc(C)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000022829547	555955955	/nfs/dbraw/zinc/95/59/55/555955955.db2.gz	OPUMDQQQIRTWAQ-UHFFFAOYSA-N	0	3	488.654	2.261	40	0		JEABHN
Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1C	ZINC000022933931	555986677	/nfs/dbraw/zinc/98/66/77/555986677.db2.gz	FECNKICXDAISMH-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000022934739	555987478	/nfs/dbraw/zinc/98/74/78/555987478.db2.gz	ZIGGSYNOIXOLIE-UHFFFAOYSA-N	0	3	474.627	2.034	40	0		JEABHN
Cc1cc(C)cc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000022935008	555987764	/nfs/dbraw/zinc/98/77/64/555987764.db2.gz	DHSDLXSBKPHQBW-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817827	556384518	/nfs/dbraw/zinc/38/45/18/556384518.db2.gz	MXLFSBMTMGVKBF-YADHBBJMSA-N	0	3	484.528	2.371	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817830	556384668	/nfs/dbraw/zinc/38/46/68/556384668.db2.gz	MXLFSBMTMGVKBF-VXKWHMMOSA-N	0	3	484.528	2.371	40	0		JEABHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(OC)cc3)N2C)cc1	ZINC000035442415	560080057	/nfs/dbraw/zinc/08/00/57/560080057.db2.gz	FUYHTMLYXBZJRZ-NZJKTDFXSA-N	0	3	480.609	2.174	40	0	biogenic,in-vitro	JEABHN
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1	ZINC000224261265	569938418	/nfs/dbraw/zinc/93/84/18/569938418.db2.gz	DUYQUDAUYSABCN-LJQANCHMSA-N	0	3	463.575	2.483	40	0		JEABHN
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCc2ccccc2C1	ZINC000225442094	569997027	/nfs/dbraw/zinc/99/70/27/569997027.db2.gz	WIIQZIYIHUYVCH-UHFFFAOYSA-N	0	3	459.612	2.443	40	0		JEABHN
COc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OCCN(C)C	ZINC000257202090	570108520	/nfs/dbraw/zinc/10/85/20/570108520.db2.gz	AKJZYMBLXHWKNJ-ZEQRLZLVSA-N	0	3	454.615	2.003	40	0		JEABHN
CN1CCC(Cc2ccccc2)(C(=O)N2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1	ZINC000257206880	570110011	/nfs/dbraw/zinc/11/00/11/570110011.db2.gz	BFHOCRBKDNIVRA-UIOOFZCWSA-N	0	3	462.638	2.335	40	0		JEABHN
CN1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@H](O)[C@@H](n3cnc4c3ncnc4N)CC2)CC1	ZINC000257209952	570110922	/nfs/dbraw/zinc/11/09/22/570110922.db2.gz	BSNIGXOGHQAHEE-PMACEKPBSA-N	0	3	481.576	2.027	40	0		JEABHN
CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCCN2CCCCC2)cc1	ZINC000257214156	570112287	/nfs/dbraw/zinc/11/22/87/570112287.db2.gz	CKVGKFCUBAYZGB-RUZDIDTESA-N	0	3	453.587	2.445	40	0		JEABHN
CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1	ZINC000257214855	570112520	/nfs/dbraw/zinc/11/25/20/570112520.db2.gz	CNSBUFMIJDDNPZ-VWLOTQADSA-N	0	3	468.602	2.096	40	0		JEABHN
Cc1nc(C(=O)N2CCC[C@](C(=O)N(C)C)(c3ccccn3)C2)cc(C2(C)CCN(C)CC2)n1	ZINC000257226220	570115984	/nfs/dbraw/zinc/11/59/84/570115984.db2.gz	FJRINRQTZVJLPD-AREMUKBSSA-N	0	3	464.614	2.426	40	0		JEABHN
Cc1nc(C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc(C2(C)CCN(C)CC2)n1	ZINC000257226221	570116011	/nfs/dbraw/zinc/11/60/11/570116011.db2.gz	FJRINRQTZVJLPD-SANMLTNESA-N	0	3	464.614	2.426	40	0		JEABHN
CCN1CCN(CCC(=O)N2CCC[C@@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn32)CC1	ZINC000257229233	570116847	/nfs/dbraw/zinc/11/68/47/570116847.db2.gz	FXHHHTADTHCLRY-OAQYLSRUSA-N	0	3	467.618	2.093	40	0		JEABHN
COCCOc1cc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OC	ZINC000257245874	570121897	/nfs/dbraw/zinc/12/18/97/570121897.db2.gz	IRLJBZZDKOIGII-AREMUKBSSA-N	0	3	455.599	2.479	40	0		JEABHN
CC(=O)N[C@]12CN(CC(=O)NCCc3nc4ccccc4[nH]3)[C@H](c3ccccc3)[C@H]1CCN(C)C2	ZINC000257321896	570145141	/nfs/dbraw/zinc/14/51/41/570145141.db2.gz	WDSXKACBWGEBOL-SACAOSOOSA-N	0	3	474.609	2.105	40	0		JEABHN
CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257337006	570149609	/nfs/dbraw/zinc/14/96/09/570149609.db2.gz	YQYSTNRIJUKZDZ-AREMUKBSSA-N	0	3	482.629	2.487	40	0		JEABHN
CN(C)CCN1CCN(C(=O)c2nc([C@H]3CCCN3Cc3ccccn3)n3ccccc23)CC1	ZINC000306130639	570178267	/nfs/dbraw/zinc/17/82/67/570178267.db2.gz	JMCIQGCQQGUQNW-HSZRJFAPSA-N	0	3	461.614	2.386	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674658	195199372	/nfs/dbraw/zinc/19/93/72/195199372.db2.gz	FZVMLWMHNQFCHR-FGZHOGPDSA-N	0	3	482.512	2.078	40	0		JEABHN
COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)N)cc2ccccc21	ZINC000002568017	554236271	/nfs/dbraw/zinc/23/62/71/554236271.db2.gz	XKMKDCIHNNOCBU-HOIFWPIMSA-N	0	3	462.550	2.366	40	0		JEABHN
COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCCN3CCCC3)c(=O)n2C)c(OC)c1	ZINC000010108751	555618512	/nfs/dbraw/zinc/61/85/12/555618512.db2.gz	ZLNQCHBSUBJEJN-UHFFFAOYSA-N	0	3	480.569	2.259	40	0		JEABHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccccc3)N2C)cc1	ZINC000022922906	555975749	/nfs/dbraw/zinc/97/57/49/555975749.db2.gz	BVNDZCHTUPUIFO-PWWKTKHKSA-N	0	3	450.583	2.165	40	0	biogenic,in-vitro	JEABHN
C[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000022934891	555987462	/nfs/dbraw/zinc/98/74/62/555987462.db2.gz	YMJBLZFXNRIIKK-FQEVSTJZSA-N	0	3	474.627	2.387	40	0		JEABHN
C[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000022934887	555987475	/nfs/dbraw/zinc/98/74/75/555987475.db2.gz	YMJBLZFXNRIIKK-HXUWFJFHSA-N	0	3	474.627	2.387	40	0		JEABHN
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(C2CCCCC2)CC1	ZINC000019593900	556355671	/nfs/dbraw/zinc/35/56/71/556355671.db2.gz	JOWZYJCWGSCOHX-HSZRJFAPSA-N	0	3	481.601	2.209	40	0		JEABHN
CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1	ZINC000030863589	556382869	/nfs/dbraw/zinc/38/28/69/556382869.db2.gz	NNCAPMYXJDURAK-UHFFFAOYSA-N	0	3	491.485	2.289	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817736	556384201	/nfs/dbraw/zinc/38/42/01/556384201.db2.gz	ZPXWUTNOIXUBSQ-FCHUYYIVSA-N	0	3	466.538	2.232	40	0		JEABHN
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1	ZINC000257271142	570129812	/nfs/dbraw/zinc/12/98/12/570129812.db2.gz	MXAOTCSJPDDUNG-RUZDIDTESA-N	0	3	455.578	2.278	40	0		JEABHN
CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1)C1CCCC1	ZINC000257270866	570129828	/nfs/dbraw/zinc/12/98/28/570129828.db2.gz	MVZDLAREOMYMHR-URXFXBBRSA-N	0	3	456.631	2.321	40	0		JEABHN
O=C1CCCN1CCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000257286165	570134444	/nfs/dbraw/zinc/13/44/44/570134444.db2.gz	PKOCLRCNGDYMGJ-SVBPBHIXSA-N	0	3	478.637	2.445	40	0		JEABHN
CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cc(C3(C)CCN(C)CC3)nc(C)n2)C1	ZINC000257307806	570140701	/nfs/dbraw/zinc/14/07/01/570140701.db2.gz	TUETXHJOCIFWKD-VWLOTQADSA-N	0	3	450.587	2.083	40	0		JEABHN
CN1CCC(Cc2ccccc2F)(C(=O)N2CC[C@H](O)[C@@H](n3cnc4c3ncnc4N)CC2)CC1	ZINC000257310307	570141551	/nfs/dbraw/zinc/14/15/51/570141551.db2.gz	UEOSBUVUHQDJOF-PMACEKPBSA-N	0	3	481.576	2.027	40	0		JEABHN
CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NCc1nc3ccccc3n1C)C2	ZINC000257329038	570147184	/nfs/dbraw/zinc/14/71/84/570147184.db2.gz	XICVPWDJCAYBMJ-ZFWHIUCFSA-N	0	3	474.609	2.073	40	0		JEABHN
CN(C)CCN1CCN(C(=O)c2nc([C@@H]3CCCN3Cc3ccccn3)n3ccccc23)CC1	ZINC000306130640	570178204	/nfs/dbraw/zinc/17/82/04/570178204.db2.gz	JMCIQGCQQGUQNW-QHCPKHFHSA-N	0	3	461.614	2.386	40	0		JEABHN
CC(C)Oc1ccc(CN2CCC3(Cn4c(nn(CC5CCC5)c(=O)c4=O)N3C)CC2)cc1	ZINC000306135735	570178343	/nfs/dbraw/zinc/17/83/43/570178343.db2.gz	OZHGNNSFCMBBII-UHFFFAOYSA-N	0	3	453.587	2.477	40	0		JEABHN
CN1CCN(CCCNC(=O)c2nc([C@@H]3CCCN3Cc3ccccn3)n3ccccc23)CC1	ZINC000306133634	570178376	/nfs/dbraw/zinc/17/83/76/570178376.db2.gz	MRVSKPYFPDIABL-QHCPKHFHSA-N	0	3	461.614	2.434	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000020636982	195191804	/nfs/dbraw/zinc/19/18/04/195191804.db2.gz	RBKKIRMCPGPSKD-RTWAWAEBSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674664	195199550	/nfs/dbraw/zinc/19/95/50/195199550.db2.gz	FZVMLWMHNQFCHR-YADHBBJMSA-N	0	3	482.512	2.078	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674836	195199779	/nfs/dbraw/zinc/19/97/79/195199779.db2.gz	MJOKSEIGXORQOF-VXKWHMMOSA-N	0	3	484.528	2.458	40	0		JEABHN
Cc1ccc(C)c(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000022829417	524118533	/nfs/dbraw/zinc/11/85/33/524118533.db2.gz	LGFJISKMPFTJOW-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
O=C(Nc1ccc(C2=[NH+]CCN2)c([O-])c1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)c([O-])c2)cc1	ZINC000001707934	553984026	/nfs/dbraw/zinc/98/40/26/553984026.db2.gz	PSFVURWAMKWKIO-UHFFFAOYSA-N	0	3	484.516	2.302	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000022741691	555949611	/nfs/dbraw/zinc/94/96/11/555949611.db2.gz	GXSKSSXOOXKTOI-VXKWHMMOSA-N	0	3	484.528	2.458	40	0		JEABHN
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000022829790	555955862	/nfs/dbraw/zinc/95/58/62/555955862.db2.gz	LEOVWOMDHRRFDX-UHFFFAOYSA-N	0	3	492.617	2.173	40	0		JEABHN
CCc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000022934683	555987011	/nfs/dbraw/zinc/98/70/11/555987011.db2.gz	FFOKRUHLCJWZSI-UHFFFAOYSA-N	0	3	458.628	2.198	40	0		JEABHN
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1	ZINC000224248006	569938045	/nfs/dbraw/zinc/93/80/45/569938045.db2.gz	VLBPRXSOORHNBD-UHFFFAOYSA-N	0	3	463.575	2.483	40	0		JEABHN
CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NCCc1nc3ccccc3[nH]1)C2	ZINC000257209571	570110844	/nfs/dbraw/zinc/11/08/44/570110844.db2.gz	BQXBEGKEQOBRRA-ZFWHIUCFSA-N	0	3	474.609	2.105	40	0		JEABHN
CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCCN2CCCCC2)cc1	ZINC000257214157	570112280	/nfs/dbraw/zinc/11/22/80/570112280.db2.gz	CKVGKFCUBAYZGB-VWLOTQADSA-N	0	3	453.587	2.445	40	0		JEABHN
O=C(CN1CCN(Cc2ccccc2)C[C@@H](Cc2cnccn2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000257249918	570123243	/nfs/dbraw/zinc/12/32/43/570123243.db2.gz	JKGGGCXZQNKICD-HXUWFJFHSA-N	0	3	471.565	2.261	40	0		JEABHN
Cc1cc(N2CC[C@](O)(CN(C)C(=O)C3(Cc4cccc(F)c4)CCN(C)CC3)C2)ncn1	ZINC000257271143	570129853	/nfs/dbraw/zinc/12/98/53/570129853.db2.gz	MXAOTCSJPDDUNG-VWLOTQADSA-N	0	3	455.578	2.278	40	0		JEABHN
Cc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1	ZINC000257279507	570132536	/nfs/dbraw/zinc/13/25/36/570132536.db2.gz	OGYJALPPLZAXGT-QFIPXVFZSA-N	0	3	476.629	2.200	40	0		JEABHN
Cc1nn(C)cc1NC(=O)CN1CCN(Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1	ZINC000257279506	570132565	/nfs/dbraw/zinc/13/25/65/570132565.db2.gz	OGYJALPPLZAXGT-JOCHJYFZSA-N	0	3	476.629	2.200	40	0		JEABHN
CN(CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1)C1CCCC1	ZINC000257282062	570133317	/nfs/dbraw/zinc/13/33/17/570133317.db2.gz	OSEOOTVMIPBBRF-RDPSFJRHSA-N	0	3	474.621	2.460	40	0		JEABHN
CC(=O)N[C@]12CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](c3ccccc3)[C@H]1CCN(C)C2	ZINC000257284287	570133977	/nfs/dbraw/zinc/13/39/77/570133977.db2.gz	PCBFIGRCBNFCMD-BIYCFNCWSA-N	0	3	491.636	2.345	40	0		JEABHN
Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1	ZINC000257311785	570141973	/nfs/dbraw/zinc/14/19/73/570141973.db2.gz	UKZOWFZLPCMBBJ-RUZDIDTESA-N	0	3	453.587	2.363	40	0		JEABHN
Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	ZINC000006301321	554529772	/nfs/dbraw/zinc/52/97/72/554529772.db2.gz	PXBJLNPWXVCNSK-UHFFFAOYSA-N	0	3	459.660	2.105	40	0		JEABHN
COCCn1nnnc1C1(N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)CCN(C)CC1	ZINC000020142538	555663606	/nfs/dbraw/zinc/66/36/06/555663606.db2.gz	AAJNTGYUCARMSA-JOCHJYFZSA-N	0	3	495.628	2.072	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000022577317	555939066	/nfs/dbraw/zinc/93/90/66/555939066.db2.gz	HKLXYKNDSISFSF-YADHBBJMSA-N	0	3	466.538	2.232	40	0		JEABHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3cccs3)N2C)cc1	ZINC000022922897	555975839	/nfs/dbraw/zinc/97/58/39/555975839.db2.gz	RICWMYHJJNQSFR-ZEYPLWLESA-N	0	3	456.612	2.226	40	0	biogenic,in-vitro	JEABHN
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2F)cc1	ZINC000022934895	555987792	/nfs/dbraw/zinc/98/77/92/555987792.db2.gz	CKRHNKODPMJHAF-UHFFFAOYSA-N	0	3	462.591	2.083	40	0		JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN2CCC[C@@H]2C1)OCCO3	ZINC000019292492	556337742	/nfs/dbraw/zinc/33/77/42/556337742.db2.gz	SVXBMYNZMKAKJQ-JPYJTQIMSA-N	0	3	477.569	2.270	40	0		JEABHN
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(C2CCCCC2)CC1	ZINC000019593899	556355794	/nfs/dbraw/zinc/35/57/94/556355794.db2.gz	JOWZYJCWGSCOHX-QHCPKHFHSA-N	0	3	481.601	2.209	40	0		JEABHN
CN1[C@@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000035442442	560080094	/nfs/dbraw/zinc/08/00/94/560080094.db2.gz	VGGDCNPVLHZVQX-ZDXQCDESSA-N	0	3	455.647	2.035	40	0	biogenic,in-vitro	JEABHN
CCOC(=O)COc1c(I)cc(CNCCN(C)C)cc1OCC	ZINC000036611750	569777716	/nfs/dbraw/zinc/77/77/16/569777716.db2.gz	NHDGFYZMTZGKEA-UHFFFAOYSA-N	0	3	450.317	2.283	40	0		JEABHN
CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1NC(=O)c1cnccn1	ZINC000257202241	570108515	/nfs/dbraw/zinc/10/85/15/570108515.db2.gz	ALAJMJHSCADWRD-JFTIXFDTSA-N	0	3	450.514	2.469	40	0		JEABHN
O=C1CO[C@@]2(CN1Cc1ccc(F)cc1)CCCN(Cc1ccnc(N3CCOCC3)n1)CC2	ZINC000257249040	570122943	/nfs/dbraw/zinc/12/29/43/570122943.db2.gz	JGKSPICDRVLPRV-VWLOTQADSA-N	0	3	469.561	2.236	40	0		JEABHN
O=C(CN1CCN(Cc2ccccc2)C[C@H](Cc2cnccn2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000257249917	570123252	/nfs/dbraw/zinc/12/32/52/570123252.db2.gz	JKGGGCXZQNKICD-FQEVSTJZSA-N	0	3	471.565	2.261	40	0		JEABHN
CN1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)CC1	ZINC000257269993	570129564	/nfs/dbraw/zinc/12/95/64/570129564.db2.gz	MSHYDBIZOUPDDQ-NTKDMRAZSA-N	0	3	481.576	2.027	40	0		JEABHN
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257270689	570129868	/nfs/dbraw/zinc/12/98/68/570129868.db2.gz	MVGOMNAGPIPLKB-RUZDIDTESA-N	0	3	453.587	2.363	40	0		JEABHN
CC(=O)Nc1ccc(NC(=O)CN2C[C@]3(NC(C)=O)CN(C)CC[C@@H]3[C@H]2c2ccccc2)cc1	ZINC000257301282	570138931	/nfs/dbraw/zinc/13/89/31/570138931.db2.gz	RXTHZAUYKNTVDX-LGPLSSKUSA-N	0	3	463.582	2.467	40	0		JEABHN
CNC(=O)c1cccc([C@H]2CN(C(=O)c3cc(C4(C)CCN(C)CC4)nc(C)n3)CCN2C)c1	ZINC000257318341	570143925	/nfs/dbraw/zinc/14/39/25/570143925.db2.gz	VNMREVWWGKYFJI-JOCHJYFZSA-N	0	3	464.614	2.257	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674782	195199409	/nfs/dbraw/zinc/19/94/09/195199409.db2.gz	PUYZVHGVWWLOOB-LEWJYISDSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1cccc(C)c1	ZINC000020801382	195226720	/nfs/dbraw/zinc/22/67/20/195226720.db2.gz	VODDFLBOUKFMBN-GOTSBHOMSA-N	0	3	478.549	2.248	40	0		JEABHN
Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000022799186	524350334	/nfs/dbraw/zinc/35/03/34/524350334.db2.gz	SALFWCHEXNOMBM-PWHSHALESA-N	0	3	463.586	2.180	40	0		JEABHN
NS(=O)(=O)c1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	ZINC000020457692	527312283	/nfs/dbraw/zinc/31/22/83/527312283.db2.gz	PPHVRRBSQHOIOF-MRXNPFEDSA-N	0	3	475.876	2.470	40	0		JEABHN
CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	ZINC000010544226	555726022	/nfs/dbraw/zinc/72/60/22/555726022.db2.gz	KDJLRERSXAWFMK-GOSISDBHSA-N	0	3	453.605	2.101	40	0		JEABHN
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)c1	ZINC000022108541	555875635	/nfs/dbraw/zinc/87/56/35/555875635.db2.gz	IKEDLMRQORJFPT-UHFFFAOYSA-N	0	3	472.519	2.500	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000022577310	555939089	/nfs/dbraw/zinc/93/90/89/555939089.db2.gz	HKLXYKNDSISFSF-FCHUYYIVSA-N	0	3	466.538	2.232	40	0		JEABHN
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCN3CCN(C)CC3)c2)CC1	ZINC000022933776	555986531	/nfs/dbraw/zinc/98/65/31/555986531.db2.gz	HFVZVZWCOLXIFA-UHFFFAOYSA-N	0	3	457.040	2.128	40	0		JEABHN
Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000022935090	555987958	/nfs/dbraw/zinc/98/79/58/555987958.db2.gz	JDNSEOMLDUHQCP-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN4CCC[C@@H]4C3)cc2c1	ZINC000019522982	556351136	/nfs/dbraw/zinc/35/11/36/556351136.db2.gz	RPSAIRVSTJFWPO-ZRCGQRJVSA-N	0	3	463.586	2.125	40	0		JEABHN
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000019569199	556355285	/nfs/dbraw/zinc/35/52/85/556355285.db2.gz	SALFWCHEXNOMBM-SELNLUPBSA-N	0	3	463.586	2.180	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817766	556384223	/nfs/dbraw/zinc/38/42/23/556384223.db2.gz	ZBKGDTIHDXHAOC-PKTZIBPZSA-N	0	3	480.565	2.228	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817845	556384642	/nfs/dbraw/zinc/38/46/42/556384642.db2.gz	AREKPBUJTRAHPR-FCHUYYIVSA-N	0	3	484.528	2.371	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817849	556384660	/nfs/dbraw/zinc/38/46/60/556384660.db2.gz	AREKPBUJTRAHPR-VXKWHMMOSA-N	0	3	484.528	2.371	40	0		JEABHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NS(=O)(=O)c4ccc(C)cc4)c23)CC1	ZINC000035415766	560081416	/nfs/dbraw/zinc/08/14/16/560081416.db2.gz	CPZJZCAHKPSXAE-VQTJNVASSA-N	0	3	484.622	2.388	40	0	biogenic,in-vitro	JEABHN
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1	ZINC000008298771	565092916	/nfs/dbraw/zinc/09/29/16/565092916.db2.gz	GPIOAEFPCKTEPF-QFUCXCTJSA-N	0	3	461.522	2.406	40	0	biogenic,in-vitro	JEABHN
COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1N1C(=O)CCC1=O	ZINC000224803456	569958292	/nfs/dbraw/zinc/95/82/92/569958292.db2.gz	UITHKPWONMURNW-UHFFFAOYSA-N	0	3	457.552	2.423	40	0		JEABHN
CCN1CCN(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(C)cn3)CC2)CC1	ZINC000257223289	570115038	/nfs/dbraw/zinc/11/50/38/570115038.db2.gz	DWRDDJCKWYFBOO-QHCPKHFHSA-N	0	3	456.635	2.046	40	0		JEABHN
Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1	ZINC000257239865	570120180	/nfs/dbraw/zinc/12/01/80/570120180.db2.gz	HRDFBMVPIKUHJX-VWLOTQADSA-N	0	3	453.587	2.363	40	0		JEABHN
COc1ccc(Nc2ncccc2C(=O)N2CCN(C)C[C@](O)(Cn3ccnc3C)C2)cc1	ZINC000257258532	570125792	/nfs/dbraw/zinc/12/57/92/570125792.db2.gz	KUKQAHZGHUECFR-DEOSSOPVSA-N	0	3	450.543	2.158	40	0		JEABHN
CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CN2CCOCC2)CC1	ZINC000257260282	570126415	/nfs/dbraw/zinc/12/64/15/570126415.db2.gz	LCDPQRLXMGIEOQ-SDZTWWDVSA-N	0	3	477.621	2.281	40	0		JEABHN
CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1	ZINC000257317807	570143791	/nfs/dbraw/zinc/14/37/91/570143791.db2.gz	VLGFZHHGJXTHPC-RUZDIDTESA-N	0	3	468.602	2.096	40	0		JEABHN
CC(=O)N[C@]12CN(CC(=O)Nc3ccc4c(c3)OCCO4)[C@H](c3ccccc3)[C@H]1CCN(C)C2	ZINC000257326256	570146413	/nfs/dbraw/zinc/14/64/13/570146413.db2.gz	WWMQWCGLLGQPJK-LPPUWEFUSA-N	0	3	464.566	2.280	40	0		JEABHN
CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)CN2CCOCC2)CC1	ZINC000257327211	570146698	/nfs/dbraw/zinc/14/66/98/570146698.db2.gz	XAMFNPZVFDEFJA-KAKDDGLXSA-N	0	3	477.621	2.281	40	0		JEABHN
CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1O	ZINC000012489903	522966619	/nfs/dbraw/zinc/96/66/19/522966619.db2.gz	AFVPPFPOPGCDMA-SSSFQFABSA-N	0	3	453.461	2.098	40	0	biogenic,in-vitro	JEABHN
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cccc(C)c2)cc1	ZINC000022829502	525502712	/nfs/dbraw/zinc/50/27/12/525502712.db2.gz	KDBOCUQLAXOGCF-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)cc2c1	ZINC000006300340	554529528	/nfs/dbraw/zinc/52/95/28/554529528.db2.gz	JHGZAWSDEPEZEX-UHFFFAOYSA-N	0	3	459.660	2.105	40	0		JEABHN
Cc1cc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C	ZINC000006320694	554530550	/nfs/dbraw/zinc/53/05/50/554530550.db2.gz	OIPDHUPUBUUKHW-UHFFFAOYSA-N	0	3	459.660	2.105	40	0		JEABHN
CCOC(=O)c1ccc(N2C(=O)C[C@H](NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1	ZINC000015023290	555864258	/nfs/dbraw/zinc/86/42/58/555864258.db2.gz	UBDZTINLFXBWPM-NRFANRHFSA-N	0	3	465.554	2.408	40	0		JEABHN
COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000022829474	555955413	/nfs/dbraw/zinc/95/54/13/555955413.db2.gz	QKEAELGPNJYMFB-UHFFFAOYSA-N	0	3	495.045	2.298	40	0		JEABHN
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(F)cc2)cc1	ZINC000022829538	555955781	/nfs/dbraw/zinc/95/57/81/555955781.db2.gz	UKDXTWOKWNWGKR-UHFFFAOYSA-N	0	3	462.591	2.083	40	0		JEABHN
Cc1cccc(N(Cc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000022829916	555956357	/nfs/dbraw/zinc/95/63/57/555956357.db2.gz	MLKLPEGAQFLBOM-UHFFFAOYSA-N	0	3	458.628	2.329	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817835	556384683	/nfs/dbraw/zinc/38/46/83/556384683.db2.gz	GCAWVFFKNOWVOE-XZOQPEGZSA-N	0	3	496.564	2.241	40	0		JEABHN
O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CCN(CC3CCCCC3)C[C@@H]12	ZINC000253401398	570096779	/nfs/dbraw/zinc/09/67/79/570096779.db2.gz	MUWAQHNYGBBZOR-ALJFMCDRSA-N	0	3	485.625	2.201	40	0		JEABHN
CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1	ZINC000257214854	570112464	/nfs/dbraw/zinc/11/24/64/570112464.db2.gz	CNSBUFMIJDDNPZ-RUZDIDTESA-N	0	3	468.602	2.096	40	0		JEABHN
CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)N(C)C[C@]3(NC(C)=O)C2)cc1	ZINC000257232567	570117847	/nfs/dbraw/zinc/11/78/47/570117847.db2.gz	GLKPXZRSUAVKOG-ARMFNRFLSA-N	0	3	463.582	2.467	40	0		JEABHN
COc1cccc(Nc2ncccc2C(=O)N2CCN(C)C[C@](O)(Cn3ccnc3C)C2)c1	ZINC000257239981	570120272	/nfs/dbraw/zinc/12/02/72/570120272.db2.gz	HRQDXHPFSGAIIY-DEOSSOPVSA-N	0	3	450.543	2.158	40	0		JEABHN
Cn1c2ncn(CCNC[C@@H](O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2c(=O)n(C)c1=O	ZINC000001566351	194128134	/nfs/dbraw/zinc/12/81/34/194128134.db2.gz	JNHLUBYCQKDMIB-GOSISDBHSA-N	0	3	471.602	2.058	40	0		JEABHN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN4CCC[C@@H]4C3)cc2c1	ZINC000022795136	524058571	/nfs/dbraw/zinc/05/85/71/524058571.db2.gz	RPSAIRVSTJFWPO-TXTKFYIRSA-N	0	3	463.586	2.125	40	0		JEABHN
COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(Cl)cc2)cc1OC	ZINC000010111624	555622805	/nfs/dbraw/zinc/62/28/05/555622805.db2.gz	UFTCBVJDYUBUNH-UHFFFAOYSA-N	0	3	455.964	2.230	40	0		JEABHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccccc1OC	ZINC000010157532	555638598	/nfs/dbraw/zinc/63/85/98/555638598.db2.gz	TVQYKQYDZLMQHY-LEWJYISDSA-N	0	3	454.502	2.363	40	0		JEABHN
CCCCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(c4ncccn4)CC3)C2=O)cc1	ZINC000020353601	555781557	/nfs/dbraw/zinc/78/15/57/555781557.db2.gz	UVFXXAFLYNYLMU-FQEVSTJZSA-N	0	3	451.527	2.324	40	0		JEABHN
COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Br)c1OCC(N)=O	ZINC000022107902	555874709	/nfs/dbraw/zinc/87/47/09/555874709.db2.gz	PDWCIHGKAOGFDE-UHFFFAOYSA-N	0	3	493.387	2.179	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000022741687	555949642	/nfs/dbraw/zinc/94/96/42/555949642.db2.gz	GXSKSSXOOXKTOI-YADHBBJMSA-N	0	3	484.528	2.458	40	0		JEABHN
CCc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000022933353	555985974	/nfs/dbraw/zinc/98/59/74/555985974.db2.gz	MVPCZGBJWSOKIV-UHFFFAOYSA-N	0	3	458.628	2.198	40	0		JEABHN
CN1CCN(CCCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	ZINC000022934838	555987429	/nfs/dbraw/zinc/98/74/29/555987429.db2.gz	KNKBULRLZFFXIU-UHFFFAOYSA-N	0	3	465.447	2.293	40	0		JEABHN
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN4CCC[C@@H]4C3)cc2c1	ZINC000019522983	556351211	/nfs/dbraw/zinc/35/12/11/556351211.db2.gz	RPSAIRVSTJFWPO-QTEQDKRBSA-N	0	3	463.586	2.125	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817843	556384544	/nfs/dbraw/zinc/38/45/44/556384544.db2.gz	AREKPBUJTRAHPR-FGZHOGPDSA-N	0	3	484.528	2.371	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817847	556384585	/nfs/dbraw/zinc/38/45/85/556384585.db2.gz	AREKPBUJTRAHPR-YADHBBJMSA-N	0	3	484.528	2.371	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817832	556384636	/nfs/dbraw/zinc/38/46/36/556384636.db2.gz	GCAWVFFKNOWVOE-DHIUTWEWSA-N	0	3	496.564	2.241	40	0		JEABHN
CC(=O)N1CCC(N2CCC(O)(c3csc(CN4CCN(c5ccccn5)CC4)n3)CC2)CC1	ZINC000225427172	560042904	/nfs/dbraw/zinc/04/29/04/560042904.db2.gz	MZKVFCFTQPZYPT-UHFFFAOYSA-N	0	3	484.670	2.155	40	0	biogenic,in-vitro	JEABHN
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(C)cc3)N2C)cc1	ZINC000035442419	560080099	/nfs/dbraw/zinc/08/00/99/560080099.db2.gz	TUXIOTNZTJFMIE-FBILRYNDSA-N	0	3	464.610	2.473	40	0	biogenic,in-vitro	JEABHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NS(=O)(=O)c4ccccc4)c23)CC1	ZINC000035415765	560081370	/nfs/dbraw/zinc/08/13/70/560081370.db2.gz	HUHGXQBTAUANST-RBUKOAKNSA-N	0	3	470.595	2.079	40	0	biogenic,in-vitro	JEABHN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC	ZINC000225200053	569982004	/nfs/dbraw/zinc/98/20/04/569982004.db2.gz	YUTNQWKZWDCXCJ-UHFFFAOYSA-N	0	3	477.583	2.436	40	0		JEABHN
CN1CCC(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	ZINC000225564010	570005936	/nfs/dbraw/zinc/00/59/36/570005936.db2.gz	WNPMENVLWBZWTK-UHFFFAOYSA-N	0	3	459.568	2.433	40	0		JEABHN
CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCCN(c2cnccn2)C1	ZINC000257254716	570124672	/nfs/dbraw/zinc/12/46/72/570124672.db2.gz	KEJBKBWINFQJCR-RUZDIDTESA-N	0	3	453.587	2.331	40	0		JEABHN
CC1CCN(CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1	ZINC000257256201	570124997	/nfs/dbraw/zinc/12/49/97/570124997.db2.gz	KKLPWXADYTVKAW-URXFXBBRSA-N	0	3	474.621	2.318	40	0		JEABHN
C[C@]1(O)CC2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257300549	570138628	/nfs/dbraw/zinc/13/86/28/570138628.db2.gz	RUSBKWLBMZSLNA-NVQXNPDNSA-N	0	3	496.608	2.322	40	0		JEABHN
CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cc(C3(C)CCN(C)CC3)nc(C)n2)C1	ZINC000257307805	570140679	/nfs/dbraw/zinc/14/06/79/570140679.db2.gz	TUETXHJOCIFWKD-RUZDIDTESA-N	0	3	450.587	2.083	40	0		JEABHN
Cc1cc(N2CC[C@](O)(CN(C)C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1	ZINC000257328810	570147048	/nfs/dbraw/zinc/14/70/48/570147048.db2.gz	XHFAXWYGPCLSJU-VWLOTQADSA-N	0	3	455.578	2.278	40	0		JEABHN
COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)N3CCOCC3)n(C)n2)cc1OC	ZINC000008635493	523116325	/nfs/dbraw/zinc/11/63/25/523116325.db2.gz	PWMIZYJZZWTONS-SXLOBPIMSA-N	0	3	469.586	2.324	40	0	biogenic,in-vitro	JEABHN
Cn1c2ncn(CCNC[C@H](O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2c(=O)n(C)c1=O	ZINC000017107033	527125373	/nfs/dbraw/zinc/12/53/73/527125373.db2.gz	JNHLUBYCQKDMIB-SFHVURJKSA-N	0	3	471.602	2.058	40	0		JEABHN
Cc1c(C)n(-c2ccccc2OCCN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n12	ZINC000010102990	555618223	/nfs/dbraw/zinc/61/82/23/555618223.db2.gz	QPKLLPVOHBCQRA-UHFFFAOYSA-N	0	3	450.543	2.157	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000022577323	555939079	/nfs/dbraw/zinc/93/90/79/555939079.db2.gz	HKLXYKNDSISFSF-VXKWHMMOSA-N	0	3	466.538	2.232	40	0		JEABHN
CN1CCN(CCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1	ZINC000022935063	555987714	/nfs/dbraw/zinc/98/77/14/555987714.db2.gz	RRYDRDDJWYAIJW-UHFFFAOYSA-N	0	3	462.591	2.159	40	0		JEABHN
Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1C	ZINC000022934903	555987741	/nfs/dbraw/zinc/98/77/41/555987741.db2.gz	HYIAARHPROTCOY-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817738	556384206	/nfs/dbraw/zinc/38/42/06/556384206.db2.gz	ZPXWUTNOIXUBSQ-YADHBBJMSA-N	0	3	466.538	2.232	40	0		JEABHN
COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(c3ncccn3)CC2)cc1	ZINC000015672677	560095531	/nfs/dbraw/zinc/09/55/31/560095531.db2.gz	CAQVABWFNAFWRZ-JAXLGGSGSA-N	0	3	465.602	2.139	40	0	biogenic,in-vitro	JEABHN
CCN1CCN(CCC(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(C)cn3)CC2)CC1	ZINC000257223288	570114990	/nfs/dbraw/zinc/11/49/90/570114990.db2.gz	DWRDDJCKWYFBOO-HSZRJFAPSA-N	0	3	456.635	2.046	40	0		JEABHN
O=C1CO[C@@]2(CN1CCc1ccccc1)CCCN(Cc1ccnc(N3CCOCC3)n1)CC2	ZINC000257260708	570126626	/nfs/dbraw/zinc/12/66/26/570126626.db2.gz	LDZXBBJPGMSAPG-SANMLTNESA-N	0	3	465.598	2.139	40	0		JEABHN
CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc3c(c1)OCCO3)C2	ZINC000257274150	570130899	/nfs/dbraw/zinc/13/08/99/570130899.db2.gz	NJTSHEILGFZUCB-QGDZQMKYSA-N	0	3	464.566	2.280	40	0		JEABHN
Cc1c(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cc(N(C)C)ncn3)C2)cnn1C	ZINC000257310921	570141762	/nfs/dbraw/zinc/14/17/62/570141762.db2.gz	UHENMQLJUUAHJI-QFIPXVFZSA-N	0	3	476.629	2.200	40	0		JEABHN
CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1	ZINC000257313953	570142672	/nfs/dbraw/zinc/14/26/72/570142672.db2.gz	UUVFFNPGUBSZRF-RUZDIDTESA-N	0	3	468.602	2.031	40	0		JEABHN
Cc1ccc(-n2nccc2-c2nc(C(=O)NCCCN3CCN(C)CC3)c3cnccn32)cc1	ZINC000306128069	570178243	/nfs/dbraw/zinc/17/82/43/570178243.db2.gz	GPGZOASMWFTEQX-UHFFFAOYSA-N	0	3	458.570	2.258	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674809	195199427	/nfs/dbraw/zinc/19/94/27/195199427.db2.gz	RUVRAOZXMFMSOZ-RTWAWAEBSA-N	0	3	454.502	2.363	40	0		JEABHN
OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O	ZINC000020465477	527600111	/nfs/dbraw/zinc/60/01/11/527600111.db2.gz	XHANSWZPBYWTGH-WZYRSQIMSA-N	0	3	483.506	2.246	40	0	biogenic,in-vitro	JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000010342450	555694213	/nfs/dbraw/zinc/69/42/13/555694213.db2.gz	UCAOBXHWYCYISH-PKTZIBPZSA-N	0	3	496.564	2.328	40	0		JEABHN
COc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC(N)=O	ZINC000022108964	555875832	/nfs/dbraw/zinc/87/58/32/555875832.db2.gz	DTEDRBKXTDWYHW-UHFFFAOYSA-N	0	3	462.963	2.460	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000022530298	555931505	/nfs/dbraw/zinc/93/15/05/555931505.db2.gz	GOOXYXPWCFFKHG-FGZHOGPDSA-N	0	3	450.539	2.219	40	0		JEABHN
CCOc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000022829450	555955455	/nfs/dbraw/zinc/95/54/55/555955455.db2.gz	NHSWFDRBRYCFDC-UHFFFAOYSA-N	0	3	474.627	2.034	40	0		JEABHN
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2)cc1	ZINC000022933772	555986300	/nfs/dbraw/zinc/98/63/00/555986300.db2.gz	FWGPDJOSKYKIPE-UHFFFAOYSA-N	0	3	474.627	2.034	40	0		JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN2CCC[C@@H]2C1)OCCO3	ZINC000019292491	556337693	/nfs/dbraw/zinc/33/76/93/556337693.db2.gz	SVXBMYNZMKAKJQ-WZONZLPQSA-N	0	3	477.569	2.270	40	0		JEABHN
CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc([N-]S(=O)(=O)c3cccs3)c4=O)C2)CC1	ZINC000035415757	560081392	/nfs/dbraw/zinc/08/13/92/560081392.db2.gz	BZHXWLXDPNUZFR-DLBZAZTESA-N	0	3	476.624	2.141	40	0	biogenic,in-vitro	JEABHN
CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc([N-]S(=O)(=O)c3cccs3)c4=O)C2)CC1	ZINC000035415757	560081394	/nfs/dbraw/zinc/08/13/94/560081394.db2.gz	BZHXWLXDPNUZFR-DLBZAZTESA-N	0	3	476.624	2.141	40	0	biogenic,in-vitro	JEABHN
COc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1	ZINC000096056194	569732554	/nfs/dbraw/zinc/73/25/54/569732554.db2.gz	FRTLZAYVFSQDID-OZXSUGGESA-N	0	3	467.614	2.002	40	0		JEABHN
C[NH+](C)CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cn1	ZINC000225928888	570028180	/nfs/dbraw/zinc/02/81/80/570028180.db2.gz	IDSGPWZUEUSRCY-UHFFFAOYSA-N	0	3	470.954	2.405	40	0		JEABHN
CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCCN2CCCC2)C(=O)C1	ZINC000253401270	570096525	/nfs/dbraw/zinc/09/65/25/570096525.db2.gz	MQVIVASVYZSQET-BQGLBXTDSA-N	0	3	454.615	2.134	40	0		JEABHN
Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cc(N(C)C)ncn3)C2)nn1C	ZINC000257223721	570115143	/nfs/dbraw/zinc/11/51/43/570115143.db2.gz	DYPMXGDOQKRKIM-QFIPXVFZSA-N	0	3	476.629	2.200	40	0		JEABHN
COc1cccc(Nc2ncccc2C(=O)N2CCN(C)C[C@@](O)(Cn3ccnc3C)C2)c1	ZINC000257239982	570120249	/nfs/dbraw/zinc/12/02/49/570120249.db2.gz	HRQDXHPFSGAIIY-XMMPIXPASA-N	0	3	450.543	2.158	40	0		JEABHN
CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)CC1	ZINC000257288589	570135154	/nfs/dbraw/zinc/13/51/54/570135154.db2.gz	PUWHQGMFKVMEEF-UPVQGACJSA-N	0	3	456.631	2.179	40	0		JEABHN
CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[C@@H](n2cnc3c2ncnc3N)[C@@H]1O	ZINC000257291607	570135941	/nfs/dbraw/zinc/13/59/41/570135941.db2.gz	QHVIORMSOKYZAY-KCZVDYSFSA-N	0	3	479.585	2.110	40	0		JEABHN
CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3cccc(OCCN4CCCC4)c3)CC2)OC[C@]1(C)O	ZINC000257292253	570136284	/nfs/dbraw/zinc/13/62/84/570136284.db2.gz	QKRJTWFFEFEDMA-ZCYQVOJMSA-N	0	3	473.614	2.154	40	0		JEABHN
CN(C(=O)c1cccc(OCCN2CCCC2)c1)[C@H]1CCCC[C@@H](n2cnc3c2ncnc3N)[C@@H]1O	ZINC000257293394	570136537	/nfs/dbraw/zinc/13/65/37/570136537.db2.gz	QPHRBFLRJMUFRG-QZNHQXDQSA-N	0	3	493.612	2.500	40	0		JEABHN
CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cc(C4(C)CCN(C)CC4)nc(C)n3)CCN2C)c1	ZINC000257318342	570143941	/nfs/dbraw/zinc/14/39/41/570143941.db2.gz	VNMREVWWGKYFJI-QFIPXVFZSA-N	0	3	464.614	2.257	40	0		JEABHN
CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257338889	570150149	/nfs/dbraw/zinc/15/01/49/570150149.db2.gz	YZHQSNTVVKGFIN-VWLOTQADSA-N	0	3	468.602	2.144	40	0		JEABHN
CN1CCN(CCCNC(=O)c2nc([C@H]3CCCN3Cc3ccccn3)n3ccccc23)CC1	ZINC000306133633	570178462	/nfs/dbraw/zinc/17/84/62/570178462.db2.gz	MRVSKPYFPDIABL-HSZRJFAPSA-N	0	3	461.614	2.434	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674806	195199586	/nfs/dbraw/zinc/19/95/86/195199586.db2.gz	RUVRAOZXMFMSOZ-LEWJYISDSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1cccc(C)c1	ZINC000020801370	195226893	/nfs/dbraw/zinc/22/68/93/195226893.db2.gz	VODDFLBOUKFMBN-DHIUTWEWSA-N	0	3	478.549	2.248	40	0		JEABHN
O=C(NCCN1CCCCC1)NC[C@@H]1CCC[C@@H](CNC(=O)NCCN2CCCCC2)C1	ZINC000016138041	526305264	/nfs/dbraw/zinc/30/52/64/526305264.db2.gz	VTWJDHBBYZPMHS-FGZHOGPDSA-N	0	3	450.672	2.363	40	0		JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN2CCC[C@H]2C1)OCCO3	ZINC000001222937	553934816	/nfs/dbraw/zinc/93/48/16/553934816.db2.gz	SVXBMYNZMKAKJQ-FDDCHVKYSA-N	0	3	477.569	2.270	40	0		JEABHN
Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C	ZINC000006410181	554535257	/nfs/dbraw/zinc/53/52/57/554535257.db2.gz	KGLVFQQPILWWPT-UHFFFAOYSA-N	0	3	459.660	2.105	40	0		JEABHN
COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(Cl)ccc2OC)cc1OC	ZINC000010111578	555622789	/nfs/dbraw/zinc/62/27/89/555622789.db2.gz	UHLQDKPXTIOZFG-UHFFFAOYSA-N	0	3	485.990	2.239	40	0		JEABHN
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2C)cc1	ZINC000022829497	555955900	/nfs/dbraw/zinc/95/59/00/555955900.db2.gz	HTVVXXUIFBQBJO-UHFFFAOYSA-N	0	3	458.628	2.252	40	0		JEABHN
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(Cl)cc2)cc1	ZINC000022829639	555955912	/nfs/dbraw/zinc/95/59/12/555955912.db2.gz	OJHRLYOMKSIUHR-UHFFFAOYSA-N	0	3	495.045	2.298	40	0		JEABHN
Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000022934703	555986926	/nfs/dbraw/zinc/98/69/26/555986926.db2.gz	RWESVPFZRLPJRU-UHFFFAOYSA-N	0	3	462.591	2.083	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817825	556384557	/nfs/dbraw/zinc/38/45/57/556384557.db2.gz	MXLFSBMTMGVKBF-FCHUYYIVSA-N	0	3	484.528	2.371	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817838	556384595	/nfs/dbraw/zinc/38/45/95/556384595.db2.gz	GCAWVFFKNOWVOE-PKTZIBPZSA-N	0	3	496.564	2.241	40	0		JEABHN
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN4CCC[C@H]4C3)cc2c1	ZINC000036383900	563128339	/nfs/dbraw/zinc/12/83/39/563128339.db2.gz	RPSAIRVSTJFWPO-MIZPHKNDSA-N	0	3	463.586	2.125	40	0		JEABHN
CC1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	ZINC000253396228	570095934	/nfs/dbraw/zinc/09/59/34/570095934.db2.gz	DJFMAXINKOFZCM-HROONXBISA-N	0	3	485.625	2.199	40	0		JEABHN
COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@H](C)N)CC[C@H]3O[C@@H]21	ZINC000257204715	570109284	/nfs/dbraw/zinc/10/92/84/570109284.db2.gz	AVZBFOWDMLMOBQ-RDFCVBCUSA-N	0	3	471.598	2.499	40	0		JEABHN
CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccc(N3CCOCC3)cc1)C2	ZINC000257256790	570125191	/nfs/dbraw/zinc/12/51/91/570125191.db2.gz	KMXWILJXONHJST-KZQOYIJHSA-N	0	3	491.636	2.345	40	0		JEABHN
Cc1cc(C)n(CCOc2ccc(CN[C@@H]3C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]3O)cc2)n1	ZINC000257277075	570131708	/nfs/dbraw/zinc/13/17/08/570131708.db2.gz	NWIGAQCDFDZYQW-YMPZKCBVSA-N	0	3	474.602	2.400	40	0		JEABHN
O=C1CCCN1CCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1	ZINC000257307372	570140550	/nfs/dbraw/zinc/14/05/50/570140550.db2.gz	SYIOBKXTPGWMEC-MUUNZHRXSA-N	0	3	478.637	2.447	40	0		JEABHN
CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257337007	570149613	/nfs/dbraw/zinc/14/96/13/570149613.db2.gz	YQYSTNRIJUKZDZ-SANMLTNESA-N	0	3	482.629	2.487	40	0		JEABHN
CN(C)CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C	ZINC000004222461	194385122	/nfs/dbraw/zinc/38/51/22/194385122.db2.gz	JYJYCLJTPJGVTL-LDWUQXNOSA-N	0	3	492.686	2.365	40	0	biogenic,in-vitro	JEABHN
Cn1c2nc(N3CCN(CCCc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O	ZINC000009290748	194666699	/nfs/dbraw/zinc/66/66/99/194666699.db2.gz	FHDFZUDAGNVKMB-UHFFFAOYSA-N	0	3	458.566	2.226	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000020636984	195191717	/nfs/dbraw/zinc/19/17/17/195191717.db2.gz	RBKKIRMCPGPSKD-SFTDATJTSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000020636976	195191724	/nfs/dbraw/zinc/19/17/24/195191724.db2.gz	RBKKIRMCPGPSKD-NHCUHLMSSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000020636979	195191786	/nfs/dbraw/zinc/19/17/86/195191786.db2.gz	RBKKIRMCPGPSKD-LEWJYISDSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674779	195199336	/nfs/dbraw/zinc/19/93/36/195199336.db2.gz	PUYZVHGVWWLOOB-NHCUHLMSSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(C)cc1	ZINC000020674649	195199517	/nfs/dbraw/zinc/19/95/17/195199517.db2.gz	KJSNGIAZEOCWAG-XZOQPEGZSA-N	0	3	478.549	2.248	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674839	195199818	/nfs/dbraw/zinc/19/98/18/195199818.db2.gz	DVRYKBCLABYDNQ-DHIUTWEWSA-N	0	3	496.564	2.328	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1cccc(C)c1	ZINC000020801374	195226782	/nfs/dbraw/zinc/22/67/82/195226782.db2.gz	VODDFLBOUKFMBN-XZOQPEGZSA-N	0	3	478.549	2.248	40	0		JEABHN
CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000020460296	523897561	/nfs/dbraw/zinc/89/75/61/523897561.db2.gz	UWMQAWPCZWGYIC-UHFFFAOYSA-N	0	3	491.485	2.289	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000022741682	555949626	/nfs/dbraw/zinc/94/96/26/555949626.db2.gz	GXSKSSXOOXKTOI-FCHUYYIVSA-N	0	3	484.528	2.458	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000022829426	555955446	/nfs/dbraw/zinc/95/54/46/555955446.db2.gz	SCWJUFZYJOEBEN-UHFFFAOYSA-N	0	3	465.019	2.289	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000022829680	555955732	/nfs/dbraw/zinc/95/57/32/555955732.db2.gz	LROKTUWCSWBHFI-UHFFFAOYSA-N	0	3	465.019	2.289	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000019817769	556384154	/nfs/dbraw/zinc/38/41/54/556384154.db2.gz	ZBKGDTIHDXHAOC-GOTSBHOMSA-N	0	3	480.565	2.228	40	0		JEABHN
COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCN(c4ccccc4)CC3)CC[C@@H]2O)cc1	ZINC000030879365	556386142	/nfs/dbraw/zinc/38/61/42/556386142.db2.gz	JYNGATSAQDQKKA-SDHOMARFSA-N	0	3	453.583	2.432	40	0	biogenic,in-vitro	JEABHN
Cn1cc(CNC[C@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@@H](O)[C@@H](O)C2)c2ccccc21	ZINC000107430517	560044899	/nfs/dbraw/zinc/04/48/99/560044899.db2.gz	DWTYBSRQZQBGQQ-UBRQYEGLSA-N	0	3	458.580	2.252	40	0	biogenic,in-vitro	JEABHN
CN(C)c1cc(N2CCC[C@@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1	ZINC000257249575	570123126	/nfs/dbraw/zinc/12/31/26/570123126.db2.gz	JIYZTZVRVKKZHD-AREMUKBSSA-N	0	3	482.629	2.055	40	0		JEABHN
C[C@@]1(O)CCN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257251039	570123449	/nfs/dbraw/zinc/12/34/49/570123449.db2.gz	JPDJIOVXPDWMOK-CJFMBICVSA-N	0	3	479.585	2.111	40	0		JEABHN
O=C1CO[C@]2(CN1CCc1ccccc1)CCCN(Cc1ccnc(N3CCOCC3)n1)CC2	ZINC000257260707	570126579	/nfs/dbraw/zinc/12/65/79/570126579.db2.gz	LDZXBBJPGMSAPG-AREMUKBSSA-N	0	3	465.598	2.139	40	0		JEABHN
CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC2)OC[C@]1(C)O	ZINC000257287708	570135021	/nfs/dbraw/zinc/13/50/21/570135021.db2.gz	PRESOYBHZIDYGR-ZCYQVOJMSA-N	0	3	473.614	2.154	40	0		JEABHN
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CC[C@@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257292153	570136055	/nfs/dbraw/zinc/13/60/55/570136055.db2.gz	QKFQVOYGRMSGKE-HHHXNRCGSA-N	0	3	484.641	2.261	40	0		JEABHN
CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257338888	570150162	/nfs/dbraw/zinc/15/01/62/570150162.db2.gz	YZHQSNTVVKGFIN-RUZDIDTESA-N	0	3	468.602	2.144	40	0		JEABHN
O=C(COc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1)N1CCCC1	ZINC000257343347	570151384	/nfs/dbraw/zinc/15/13/84/570151384.db2.gz	ZSNNQFASBAXTPX-NDEPHWFRSA-N	0	3	478.637	2.447	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(F)cc1	ZINC000020674803	195199569	/nfs/dbraw/zinc/19/95/69/195199569.db2.gz	RUVRAOZXMFMSOZ-NHCUHLMSSA-N	0	3	454.502	2.363	40	0		JEABHN
CCN(CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000006511783	520639697	/nfs/dbraw/zinc/63/96/97/520639697.db2.gz	LKYZNQYHIKKWJM-SFHVURJKSA-N	0	3	488.658	2.339	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000019817762	521279678	/nfs/dbraw/zinc/27/96/78/521279678.db2.gz	ZBKGDTIHDXHAOC-DHIUTWEWSA-N	0	3	480.565	2.228	40	0		JEABHN
Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN3CCOCC3)cc12	ZINC000006321781	554531174	/nfs/dbraw/zinc/53/11/74/554531174.db2.gz	MWRIBOIIHOASRV-UHFFFAOYSA-N	0	3	459.660	2.105	40	0		JEABHN
COCCn1nnnc1C1(N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)CCN(C)CC1	ZINC000020142535	555663585	/nfs/dbraw/zinc/66/35/85/555663585.db2.gz	AAJNTGYUCARMSA-QFIPXVFZSA-N	0	3	495.628	2.072	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000010342448	555694256	/nfs/dbraw/zinc/69/42/56/555694256.db2.gz	UCAOBXHWYCYISH-GOTSBHOMSA-N	0	3	496.564	2.328	40	0		JEABHN
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000022829527	555955983	/nfs/dbraw/zinc/95/59/83/555955983.db2.gz	VLIPVWJTNLXUFX-UHFFFAOYSA-N	0	3	488.654	2.343	40	0		JEABHN
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(F)cc2)cc1	ZINC000022934622	555987034	/nfs/dbraw/zinc/98/70/34/555987034.db2.gz	TUFXKBQEAZFJAN-UHFFFAOYSA-N	0	3	492.617	2.173	40	0		JEABHN
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cccc(Cl)c2)cc1	ZINC000022934774	555987493	/nfs/dbraw/zinc/98/74/93/555987493.db2.gz	CCIPCHMQABOHJO-UHFFFAOYSA-N	0	3	495.045	2.298	40	0		JEABHN
Cc1ccccc1CN(c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000022934968	555987914	/nfs/dbraw/zinc/98/79/14/555987914.db2.gz	FVJNYTQLATVJBD-UHFFFAOYSA-N	0	3	458.628	2.329	40	0		JEABHN
CNC(=O)CN1CC2(CCN(Cc3ccc(C)s3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037195	569732374	/nfs/dbraw/zinc/73/23/74/569732374.db2.gz	XBPZYEWTKPXFQZ-UHFFFAOYSA-N	0	3	463.625	2.468	40	0		JEABHN
NS(=O)(=O)c1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	ZINC000104873932	569846683	/nfs/dbraw/zinc/84/66/83/569846683.db2.gz	PPHVRRBSQHOIOF-INIZCTEOSA-N	0	3	475.876	2.470	40	0		JEABHN
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1	ZINC000224478157	569945730	/nfs/dbraw/zinc/94/57/30/569945730.db2.gz	LKPHVSAETPZFFE-UHFFFAOYSA-N	0	3	487.622	2.115	40	0		JEABHN
CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)OCO2	ZINC000224820825	569959155	/nfs/dbraw/zinc/95/91/55/569959155.db2.gz	LWKNYFXLERPWLP-UHFFFAOYSA-N	0	3	459.568	2.484	40	0		JEABHN
CCN1CCN(CCC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn32)CC1	ZINC000257229232	570116826	/nfs/dbraw/zinc/11/68/26/570116826.db2.gz	FXHHHTADTHCLRY-NRFANRHFSA-N	0	3	467.618	2.093	40	0		JEABHN
COCCOc1cc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OC	ZINC000257245875	570121922	/nfs/dbraw/zinc/12/19/22/570121922.db2.gz	IRLJBZZDKOIGII-SANMLTNESA-N	0	3	455.599	2.479	40	0		JEABHN
CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1	ZINC000257254717	570124681	/nfs/dbraw/zinc/12/46/81/570124681.db2.gz	KEJBKBWINFQJCR-VWLOTQADSA-N	0	3	453.587	2.331	40	0		JEABHN
O=C(c1ccc(OCCN2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1	ZINC000257259754	570126271	/nfs/dbraw/zinc/12/62/71/570126271.db2.gz	KZVPIUNTUUWNGP-GOTSBHOMSA-N	0	3	478.549	2.025	40	0		JEABHN
CCn1c2ccc(NC(=O)CN3CC[C@@H]4[C@@H](c5ccccc5)N(C)C[C@]4(NC(C)=O)C3)cc2oc1=O	ZINC000257275308	570131203	/nfs/dbraw/zinc/13/12/03/570131203.db2.gz	NOVKGSWUKRVRAT-RMXYQJDTSA-N	0	3	491.592	2.436	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674785	195199523	/nfs/dbraw/zinc/19/95/23/195199523.db2.gz	PUYZVHGVWWLOOB-RTWAWAEBSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000020674842	195199883	/nfs/dbraw/zinc/19/98/83/195199883.db2.gz	DVRYKBCLABYDNQ-XZOQPEGZSA-N	0	3	496.564	2.328	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674833	195199907	/nfs/dbraw/zinc/19/99/07/195199907.db2.gz	MJOKSEIGXORQOF-YADHBBJMSA-N	0	3	484.528	2.458	40	0		JEABHN
O[C@@H]1[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(OC(F)(F)F)cc1	ZINC000020463845	527679628	/nfs/dbraw/zinc/67/96/28/527679628.db2.gz	BIRAPERYYOWFBF-FWKCKQQBSA-N	0	3	479.499	2.350	40	0	biogenic,in-vitro	JEABHN
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN2CCC[C@@H]2C1)OCCO3	ZINC000020084357	555631570	/nfs/dbraw/zinc/63/15/70/555631570.db2.gz	IVFHQUJWUPNRMM-CJFMBICVSA-N	0	3	499.575	2.204	40	0		JEABHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccccc1OC	ZINC000010157529	555638592	/nfs/dbraw/zinc/63/85/92/555638592.db2.gz	TVQYKQYDZLMQHY-RTWAWAEBSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	ZINC000010342449	555694171	/nfs/dbraw/zinc/69/41/71/555694171.db2.gz	UCAOBXHWYCYISH-DHIUTWEWSA-N	0	3	496.564	2.328	40	0		JEABHN
CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	ZINC000010544227	555726102	/nfs/dbraw/zinc/72/61/02/555726102.db2.gz	KDJLRERSXAWFMK-SFHVURJKSA-N	0	3	453.605	2.101	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000022577304	555939059	/nfs/dbraw/zinc/93/90/59/555939059.db2.gz	HKLXYKNDSISFSF-FGZHOGPDSA-N	0	3	466.538	2.232	40	0		JEABHN
CN1CCN(CCCNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1	ZINC000022829739	555955726	/nfs/dbraw/zinc/95/57/26/555955726.db2.gz	QQXYUZGXXSNZNW-UHFFFAOYSA-N	0	3	471.838	2.167	40	0		JEABHN
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(C)cc2)cc1	ZINC000022829628	555955815	/nfs/dbraw/zinc/95/58/15/555955815.db2.gz	GINSGJYFVMZSPB-UHFFFAOYSA-N	0	3	488.654	2.343	40	0		JEABHN
CN1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1	ZINC000022933861	555986539	/nfs/dbraw/zinc/98/65/39/555986539.db2.gz	JTBGYNKDPOZHPI-UHFFFAOYSA-N	0	3	457.040	2.272	40	0		JEABHN
CCOc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000022934743	555987360	/nfs/dbraw/zinc/98/73/60/555987360.db2.gz	UTYZTZVLZYQLNG-UHFFFAOYSA-N	0	3	488.654	2.343	40	0		JEABHN
Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000019569202	556355324	/nfs/dbraw/zinc/35/53/24/556355324.db2.gz	SALFWCHEXNOMBM-MSYCTHLASA-N	0	3	463.586	2.180	40	0		JEABHN
O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1	ZINC000225518295	560042195	/nfs/dbraw/zinc/04/21/95/560042195.db2.gz	WHCVUGGRDBVBME-ZLJHSHKTSA-N	0	3	464.431	2.339	40	0	biogenic,in-vitro	JEABHN
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1	ZINC000008299066	569589238	/nfs/dbraw/zinc/58/92/38/569589238.db2.gz	FLEYSKUHZKVDEE-NNWRFLSQSA-N	0	3	452.603	2.205	40	0	biogenic,in-vitro	JEABHN
CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1	ZINC000100215157	569755593	/nfs/dbraw/zinc/75/55/93/569755593.db2.gz	UBDZTINLFXBWPM-OAQYLSRUSA-N	0	3	465.554	2.408	40	0		JEABHN
Cc1cc(N2CCC[C@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1	ZINC000257201805	570108359	/nfs/dbraw/zinc/10/83/59/570108359.db2.gz	AJCLDIFCRJWDHL-VWLOTQADSA-N	0	3	455.578	2.326	40	0		JEABHN
COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](C)N)CC[C@H]3O[C@@H]21	ZINC000257204714	570109246	/nfs/dbraw/zinc/10/92/46/570109246.db2.gz	AVZBFOWDMLMOBQ-KEFDPSNVSA-N	0	3	471.598	2.499	40	0		JEABHN
CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)CN2c3cc(C(C)(C)C)ccc3OCC2=O)[C@H]1c1ccccc1	ZINC000257333990	570148747	/nfs/dbraw/zinc/14/87/47/570148747.db2.gz	YEARNQVNWSXCET-CZSZKKDXSA-N	0	3	478.593	2.467	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc(F)cc1	ZINC000020674812	195199415	/nfs/dbraw/zinc/19/94/15/195199415.db2.gz	RUVRAOZXMFMSOZ-SFTDATJTSA-N	0	3	454.502	2.363	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(C)cc1	ZINC000020674646	195199450	/nfs/dbraw/zinc/19/94/50/195199450.db2.gz	KJSNGIAZEOCWAG-DHIUTWEWSA-N	0	3	478.549	2.248	40	0		JEABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	ZINC000020674848	195199749	/nfs/dbraw/zinc/19/97/49/195199749.db2.gz	DVRYKBCLABYDNQ-GOTSBHOMSA-N	0	3	496.564	2.328	40	0		JEABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1cccc(C)c1	ZINC000020801378	195226735	/nfs/dbraw/zinc/22/67/35/195226735.db2.gz	VODDFLBOUKFMBN-PKTZIBPZSA-N	0	3	478.549	2.248	40	0		JEABHN
CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1	ZINC000009290987	519654290	/nfs/dbraw/zinc/65/42/90/519654290.db2.gz	MMGXSROTWLNEGX-UHFFFAOYSA-N	0	3	462.957	2.432	40	0		JEABHN
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1	ZINC000022797045	524351854	/nfs/dbraw/zinc/35/18/54/524351854.db2.gz	SALFWCHEXNOMBM-DNVFCKCGSA-N	0	3	463.586	2.180	40	0		JEABHN
O=C(NCCN1CCCCC1)NC[C@H]1CCC[C@H](CNC(=O)NCCN2CCCCC2)C1	ZINC000016138048	526306724	/nfs/dbraw/zinc/30/67/24/526306724.db2.gz	VTWJDHBBYZPMHS-VXKWHMMOSA-N	0	3	450.672	2.363	40	0		JEABHN
CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)COc4ccccc4)c23)CC1	ZINC000008300414	554565910	/nfs/dbraw/zinc/56/59/10/554565910.db2.gz	LSJTVIDTZBAISZ-VQTJNVASSA-N	0	3	464.566	2.296	40	0	biogenic,in-vitro	JEABHN
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000022829464	555955436	/nfs/dbraw/zinc/95/54/36/555955436.db2.gz	RWYOJRABGRKJCW-UHFFFAOYSA-N	0	3	495.045	2.298	40	0		JEABHN
Cn1cc(CN2C[C@@H]3CN(Cc4ccc(F)cc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1	ZINC000096056193	569732533	/nfs/dbraw/zinc/73/25/33/569732533.db2.gz	SNBVHLGXKFOFAI-DHLKQENFSA-N	0	3	455.578	2.132	40	0		JEABHN
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1	ZINC000224261317	569938449	/nfs/dbraw/zinc/93/84/49/569938449.db2.gz	DUYQUDAUYSABCN-IBGZPJMESA-N	0	3	463.575	2.483	40	0		JEABHN
Cc1cc(N2CCC[C@@](O)(CNC(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ncn1	ZINC000257201804	570108327	/nfs/dbraw/zinc/10/83/27/570108327.db2.gz	AJCLDIFCRJWDHL-RUZDIDTESA-N	0	3	455.578	2.326	40	0		JEABHN
CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@H]1CCCC[C@@H](n2cnc3c2ncnc3N)[C@@H]1O	ZINC000257233741	570118083	/nfs/dbraw/zinc/11/80/83/570118083.db2.gz	GQNNFTPHMPJRBQ-QZNHQXDQSA-N	0	3	493.612	2.500	40	0		JEABHN
Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4)cc3)C2)ncn1	ZINC000257239864	570120275	/nfs/dbraw/zinc/12/02/75/570120275.db2.gz	HRDFBMVPIKUHJX-RUZDIDTESA-N	0	3	453.587	2.363	40	0		JEABHN
Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1	ZINC000257270690	570129906	/nfs/dbraw/zinc/12/99/06/570129906.db2.gz	MVGOMNAGPIPLKB-VWLOTQADSA-N	0	3	453.587	2.363	40	0		JEABHN
CN(C(=O)c1cccc(OCCN2CCCC2)c1)[C@@H]1CCC[C@@H](n2cnc3c2ncnc3N)[C@@H]1O	ZINC000257285775	570134301	/nfs/dbraw/zinc/13/43/01/570134301.db2.gz	PIUZIUUWZWQILU-KCZVDYSFSA-N	0	3	479.585	2.110	40	0		JEABHN
O=C1CCCN1CCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1	ZINC000257307373	570140592	/nfs/dbraw/zinc/14/05/92/570140592.db2.gz	SYIOBKXTPGWMEC-NDEPHWFRSA-N	0	3	478.637	2.447	40	0		JEABHN
Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1	ZINC000257311786	570142021	/nfs/dbraw/zinc/14/20/21/570142021.db2.gz	UKZOWFZLPCMBBJ-VWLOTQADSA-N	0	3	453.587	2.363	40	0		JEABHN
CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1	ZINC000257313954	570142744	/nfs/dbraw/zinc/14/27/44/570142744.db2.gz	UUVFFNPGUBSZRF-VWLOTQADSA-N	0	3	468.602	2.031	40	0		JEABHN
CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1	ZINC000257317808	570143785	/nfs/dbraw/zinc/14/37/85/570143785.db2.gz	VLGFZHHGJXTHPC-VWLOTQADSA-N	0	3	468.602	2.096	40	0		JEABHN