smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)C(=O)[O-]	ZINC000242649276	257683554	/nfs/dbraw/zinc/68/35/54/257683554.db2.gz	RZOCDOMCDFZTKW-FXPVBKGRSA-N	-1	1	334.191	0.742	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1Cc1cncs1	ZINC000257335170	436874900	/nfs/dbraw/zinc/87/49/00/436874900.db2.gz	YIYCDSWFLLQEBD-SNVBAGLBSA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1Cc1cncs1	ZINC000257335170	436874905	/nfs/dbraw/zinc/87/49/05/436874905.db2.gz	YIYCDSWFLLQEBD-SNVBAGLBSA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(S(=O)(=O)C2CCCC2)C1	ZINC000257344093	436876789	/nfs/dbraw/zinc/87/67/89/436876789.db2.gz	ZVSZVQLFVXSKEP-SNVBAGLBSA-N	-1	1	347.462	0.875	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(S(=O)(=O)C2CCCC2)C1	ZINC000257344093	436876791	/nfs/dbraw/zinc/87/67/91/436876791.db2.gz	ZVSZVQLFVXSKEP-SNVBAGLBSA-N	-1	1	347.462	0.875	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1Cc1ccc(F)cn1	ZINC000257232963	244220424	/nfs/dbraw/zinc/22/04/24/244220424.db2.gz	GNDCASWZKMAABA-GFCCVEGCSA-N	-1	1	340.380	0.921	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1Cc1ccc(F)cn1	ZINC000257232963	244220433	/nfs/dbraw/zinc/22/04/33/244220433.db2.gz	GNDCASWZKMAABA-GFCCVEGCSA-N	-1	1	340.380	0.921	40	0		ECABMM
Cc1cc(C(=O)N2CCOC[C@H]2c2[n-]ncc2S(C)(=O)=O)no1	ZINC000257266065	301107150	/nfs/dbraw/zinc/10/71/50/301107150.db2.gz	MBKUMTKAEOTJQU-JTQLQIEISA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1cc(C(=O)N2CCOC[C@H]2c2n[n-]cc2S(C)(=O)=O)no1	ZINC000257266065	301107153	/nfs/dbraw/zinc/10/71/53/301107153.db2.gz	MBKUMTKAEOTJQU-JTQLQIEISA-N	-1	1	340.361	0.323	40	0		ECABMM
CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223053920	436705335	/nfs/dbraw/zinc/70/53/35/436705335.db2.gz	HOXRQDLAKFPBDN-ZJUUUORDSA-N	-1	1	333.392	0.568	40	0		ECABMM
CC(C)C[C@@H](NC(=O)CN)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004544920	545654892	/nfs/dbraw/zinc/65/48/92/545654892.db2.gz	TVUWMSBGMVAHSJ-ZIAGYGMSSA-N	-1	1	335.404	0.288	40	0		ECABMM
Cn1ccnc1CN1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257211717	244152907	/nfs/dbraw/zinc/15/29/07/244152907.db2.gz	CABSFJNRHNLLOE-SNVBAGLBSA-N	-1	1	325.394	0.120	40	0		ECABMM
Cn1ccnc1CN1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257211717	244152913	/nfs/dbraw/zinc/15/29/13/244152913.db2.gz	CABSFJNRHNLLOE-SNVBAGLBSA-N	-1	1	325.394	0.120	40	0		ECABMM
Cc1cc(-c2nnc(SCc3cc(=O)[n-]c(CO)n3)o2)nn1C	ZINC000072242867	203186034	/nfs/dbraw/zinc/18/60/34/203186034.db2.gz	RTWPEYZHPRLQQE-UHFFFAOYSA-N	-1	1	334.361	0.646	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1	ZINC000257331647	436872712	/nfs/dbraw/zinc/87/27/12/436872712.db2.gz	XTRSRAWGPGGDAE-CYBMUJFWSA-N	-1	1	331.376	0.757	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(C(=O)C2CCOCC2)C1	ZINC000585182028	439635325	/nfs/dbraw/zinc/63/53/25/439635325.db2.gz	JQMLYNFVXPBVQX-LLVKDONJSA-N	-1	1	327.406	0.556	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)C2CCOCC2)C1	ZINC000585182028	439635327	/nfs/dbraw/zinc/63/53/27/439635327.db2.gz	JQMLYNFVXPBVQX-LLVKDONJSA-N	-1	1	327.406	0.556	40	0		ECABMM
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1	ZINC000015676142	304044697	/nfs/dbraw/zinc/04/46/97/304044697.db2.gz	HIOUNQWAZRWAJA-AWEZNQCLSA-N	-1	1	348.403	0.977	40	0	biogenic,in-vitro	ECABMM
COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000020030455	202029001	/nfs/dbraw/zinc/02/90/01/202029001.db2.gz	CBJIKAWINLWPSJ-MRVPVSSYSA-N	-1	1	339.373	0.420	40	0		ECABMM
O=C(CCCN1C(=O)c2ccccc2C1=O)n1cc(F)c(=O)[n-]c1=O	ZINC000001649864	435960887	/nfs/dbraw/zinc/96/08/87/435960887.db2.gz	GXBJBHATTFQWAK-UHFFFAOYSA-N	-1	1	345.286	0.392	40	0		ECABMM
COC(=O)c1n[n-]c([C@@H]2OC[C@@H]3OC(C)(C)O[C@H]32)c1C(=O)OC	ZINC000004973253	435984468	/nfs/dbraw/zinc/98/44/68/435984468.db2.gz	HVHHEWNJKVREBW-FZYJTZEISA-N	-1	1	326.305	0.574	40	0		ECABMM
COc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)c2cccnc12	ZINC000223284009	241626653	/nfs/dbraw/zinc/62/66/53/241626653.db2.gz	GCZSXGQFZLBVTF-UHFFFAOYSA-N	-1	1	348.340	0.421	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1	ZINC000257248684	244262833	/nfs/dbraw/zinc/26/28/33/244262833.db2.gz	JETMKWKZYKMDBO-NSHDSACASA-N	-1	1	332.364	0.417	40	0		ECABMM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000002020074	435962224	/nfs/dbraw/zinc/96/22/24/435962224.db2.gz	RDLPVSKMFDYCOR-PGUXBMHVSA-N	-1	1	349.412	0.349	40	0		ECABMM
Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)NCCc1ccccc1)CC(=O)N2	ZINC000008020477	436021946	/nfs/dbraw/zinc/02/19/46/436021946.db2.gz	RAUORYLHMIXFSW-SNVBAGLBSA-N	-1	1	327.344	0.137	40	0		ECABMM
CC(=O)N1CCC(C(=O)N2CCO[C@H](c3nc(C)cc(=O)[n-]3)C2)CC1	ZINC000257288641	436863884	/nfs/dbraw/zinc/86/38/84/436863884.db2.gz	PVBCUJNLKOWPTN-AWEZNQCLSA-N	-1	1	348.403	0.649	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1Cc1cncs1	ZINC000257335169	436874706	/nfs/dbraw/zinc/87/47/06/436874706.db2.gz	YIYCDSWFLLQEBD-JTQLQIEISA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1Cc1cncs1	ZINC000257335169	436874711	/nfs/dbraw/zinc/87/47/11/436874711.db2.gz	YIYCDSWFLLQEBD-JTQLQIEISA-N	-1	1	328.419	0.843	40	0		ECABMM
Cc1ncc(C(=O)N2CC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)c(C)n1	ZINC000257300533	436866054	/nfs/dbraw/zinc/86/60/54/436866054.db2.gz	RUQONSKXHIPFRF-NSHDSACASA-N	-1	1	349.416	0.850	40	0		ECABMM
Cc1ncc(C(=O)N2CC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)c(C)n1	ZINC000257300533	436866056	/nfs/dbraw/zinc/86/60/56/436866056.db2.gz	RUQONSKXHIPFRF-NSHDSACASA-N	-1	1	349.416	0.850	40	0		ECABMM
Cc1ocnc1C(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257250813	244267628	/nfs/dbraw/zinc/26/76/28/244267628.db2.gz	JOCJNKANXRKEMD-VIFPVBQESA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1ocnc1C(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257250813	244267634	/nfs/dbraw/zinc/26/76/34/244267634.db2.gz	JOCJNKANXRKEMD-VIFPVBQESA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1c(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)cnn1C	ZINC000257255765	244282405	/nfs/dbraw/zinc/28/24/05/244282405.db2.gz	KITIXJQICSTUQR-IAGOWNOFSA-N	-1	1	345.399	0.980	40	0		ECABMM
Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2	ZINC000008020486	436022380	/nfs/dbraw/zinc/02/23/80/436022380.db2.gz	RAUORYLHMIXFSW-JTQLQIEISA-N	-1	1	327.344	0.137	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN1C(=O)C1CCOCC1	ZINC000072388665	436045037	/nfs/dbraw/zinc/04/50/37/436045037.db2.gz	FUSBAHUVRMUFGO-NSHDSACASA-N	-1	1	327.406	0.903	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN1C(=O)C1CCOCC1	ZINC000072388665	436045041	/nfs/dbraw/zinc/04/50/41/436045041.db2.gz	FUSBAHUVRMUFGO-NSHDSACASA-N	-1	1	327.406	0.903	40	0		ECABMM
O=C([C@@H]1CCCO1)N1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1	ZINC000012113723	436047051	/nfs/dbraw/zinc/04/70/51/436047051.db2.gz	UCEHCAJNPBEGOZ-AWEZNQCLSA-N	-1	1	332.404	0.824	40	0		ECABMM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]C2CCN(C)CC2)s1	ZINC000224134550	436708075	/nfs/dbraw/zinc/70/80/75/436708075.db2.gz	GCUXQBHFTREBBE-UHFFFAOYSA-N	-1	1	347.466	0.505	40	0		ECABMM
Cc1cnc(C(=O)N2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257323651	436869481	/nfs/dbraw/zinc/86/94/81/436869481.db2.gz	WLGJTDIYIMLFKE-SNVBAGLBSA-N	-1	1	335.389	0.541	40	0		ECABMM
Cc1cnc(C(=O)N2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257323651	436869483	/nfs/dbraw/zinc/86/94/83/436869483.db2.gz	WLGJTDIYIMLFKE-SNVBAGLBSA-N	-1	1	335.389	0.541	40	0		ECABMM
Nc1ccccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000019230369	527529775	/nfs/dbraw/zinc/52/97/75/527529775.db2.gz	KFTIZFXQFOVDQR-UHFFFAOYSA-N	-1	1	327.387	0.717	40	0		ECABMM
Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(=O)n(C)c1=O	ZINC000005055862	201636722	/nfs/dbraw/zinc/63/67/22/201636722.db2.gz	XXTQLQIKXFMTQQ-UHFFFAOYSA-N	-1	1	329.765	0.538	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1	ZINC000257244138	244252963	/nfs/dbraw/zinc/25/29/63/244252963.db2.gz	IJZZVXYPHUOABH-ZDUSSCGKSA-N	-1	1	344.371	0.643	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CCn3ccccc3=O)CCO2)n1	ZINC000257244137	244253456	/nfs/dbraw/zinc/25/34/56/244253456.db2.gz	IJZZVXYPHUOABH-CYBMUJFWSA-N	-1	1	344.371	0.643	40	0		ECABMM
Cc1ncncc1C(=O)N1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257271235	244377795	/nfs/dbraw/zinc/37/77/95/244377795.db2.gz	MXKYCVOHOKTHDT-SNVBAGLBSA-N	-1	1	335.389	0.541	40	0		ECABMM
Cc1ncncc1C(=O)N1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257271235	244377802	/nfs/dbraw/zinc/37/78/02/244377802.db2.gz	MXKYCVOHOKTHDT-SNVBAGLBSA-N	-1	1	335.389	0.541	40	0		ECABMM
Nc1nc2c(c(=O)[nH]1)N[C@@H](CCNc1ccc(C(=O)[O-])cc1)CN2	ZINC000008664075	436030468	/nfs/dbraw/zinc/03/04/68/436030468.db2.gz	IKEUYFXXIDRTHZ-JTQLQIEISA-N	-1	1	330.348	0.759	40	0	in-vitro	ECABMM
CC1(C)[C@@H]2SC(=S)N[C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000016776738	436094136	/nfs/dbraw/zinc/09/41/36/436094136.db2.gz	WEZNZTKGBBGDGM-WCTZXXKLSA-N	-1	1	346.455	0.514	40	0		ECABMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)OCc1ccccc1	ZINC000031672487	304095057	/nfs/dbraw/zinc/09/50/57/304095057.db2.gz	MGWOHDNBHDHWGD-CYBMUJFWSA-N	-1	1	346.343	0.448	40	0		ECABMM
Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(=O)n(C)c1=O	ZINC000004337495	435978598	/nfs/dbraw/zinc/97/85/98/435978598.db2.gz	HJRNHFITXGTZOK-UHFFFAOYSA-N	-1	1	329.765	0.538	40	0		ECABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)[C@@H]2CCOC2)C3)cn1	ZINC000013227851	436062496	/nfs/dbraw/zinc/06/24/96/436062496.db2.gz	BFKJPCRMARLHDT-LLVKDONJSA-N	-1	1	341.371	0.869	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1cccnc1	ZINC000257324510	436873075	/nfs/dbraw/zinc/87/30/75/436873075.db2.gz	WPARQKDYNSSEGR-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1cccnc1	ZINC000257324510	436873079	/nfs/dbraw/zinc/87/30/79/436873079.db2.gz	WPARQKDYNSSEGR-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
COc1ccc(CN(C)[C@@H]2CN(C(=O)CCC(=O)[O-])C[C@H]2O)cc1	ZINC000257267424	244363160	/nfs/dbraw/zinc/36/31/60/244363160.db2.gz	MHGRYALMNJDXQZ-HUUCEWRRSA-N	-1	1	336.388	0.564	40	0		ECABMM
O=C([C@H]1CCCO1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268104	296112506	/nfs/dbraw/zinc/11/25/06/296112506.db2.gz	ZXHHQOIHNFRTKT-CYBMUJFWSA-N	-1	1	327.344	0.703	40	0		ECABMM
CCCCCOC(=O)[N-]c1ccn([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000078767720	217116141	/nfs/dbraw/zinc/11/61/41/217116141.db2.gz	CFRLAJNTTLUNSK-LPTSXCQYSA-N	-1	1	341.364	0.621	40	0		ECABMM
CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(N)C(=O)[O-]	ZINC000242649278	545934364	/nfs/dbraw/zinc/93/43/64/545934364.db2.gz	RZOCDOMCDFZTKW-IQJOONFLSA-N	-1	1	334.191	0.742	40	0		ECABMM
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002522593	435968771	/nfs/dbraw/zinc/96/87/71/435968771.db2.gz	TVUWMSBGMVAHSJ-KBPBESRZSA-N	-1	1	335.404	0.288	40	0	in-vitro	ECABMM
CN(C)NC1=NS(=O)(=O)c2cc3c(cc2S1)[n-]n(C)c3=O	ZINC000001638042	282151263	/nfs/dbraw/zinc/15/12/63/282151263.db2.gz	QOWBVUBPYYINFM-UHFFFAOYSA-N	-1	1	327.391	0.083	40	0		ECABMM
CS(=O)(=O)N1CCN(c2nc3c(c(=O)[n-]2)CCCCC3)CC1	ZINC000072389380	216188988	/nfs/dbraw/zinc/18/89/88/216188988.db2.gz	BHRKYBOPBAXBJV-UHFFFAOYSA-N	-1	1	326.422	0.120	40	0		ECABMM
CSc1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000011174767	211206647	/nfs/dbraw/zinc/20/66/47/211206647.db2.gz	WOTAZKZIIAKLBW-UHFFFAOYSA-N	-1	1	341.414	0.607	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1CC1CCOCC1	ZINC000257333919	436875749	/nfs/dbraw/zinc/87/57/49/436875749.db2.gz	YDRHPDQEIYPKAG-GFCCVEGCSA-N	-1	1	329.422	0.613	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1CC1CCOCC1	ZINC000257333919	436875752	/nfs/dbraw/zinc/87/57/52/436875752.db2.gz	YDRHPDQEIYPKAG-GFCCVEGCSA-N	-1	1	329.422	0.613	40	0		ECABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(N)=O	ZINC000032081355	436234933	/nfs/dbraw/zinc/23/49/33/436234933.db2.gz	RDVPDDJXLLJTRS-UHFFFAOYSA-N	-1	1	333.369	0.994	40	0		ECABMM
CCN(CC)S(=O)(=O)N1CCO[C@@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257303603	436866249	/nfs/dbraw/zinc/86/62/49/436866249.db2.gz	SHXNALKGERMXII-LLVKDONJSA-N	-1	1	330.410	0.451	40	0		ECABMM
Cc1ncncc1C(=O)N1CC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257271234	244376128	/nfs/dbraw/zinc/37/61/28/244376128.db2.gz	MXKYCVOHOKTHDT-JTQLQIEISA-N	-1	1	335.389	0.541	40	0		ECABMM
Cc1ncncc1C(=O)N1CC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257271234	244376135	/nfs/dbraw/zinc/37/61/35/244376135.db2.gz	MXKYCVOHOKTHDT-JTQLQIEISA-N	-1	1	335.389	0.541	40	0		ECABMM
CC(C)C(=O)N1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[n-]c2=O)C1	ZINC000012181532	277332185	/nfs/dbraw/zinc/33/21/85/277332185.db2.gz	BRRLCKWWNVVEQR-TXEJJXNPSA-N	-1	1	334.420	0.924	40	0		ECABMM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\NC(=S)[N-]C3=O)o2)cc1	ZINC000005770085	435992125	/nfs/dbraw/zinc/99/21/25/435992125.db2.gz	XQNZMHLRIGCAPQ-XFFZJAGNSA-N	-1	1	349.393	0.939	40	0		ECABMM
CC(C)C(=O)N1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[n-]c2=O)C1	ZINC000012181534	436048499	/nfs/dbraw/zinc/04/84/99/436048499.db2.gz	BRRLCKWWNVVEQR-RYUDHWBXSA-N	-1	1	334.420	0.924	40	0		ECABMM
COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(C)=O)CC2	ZINC000019018062	436105656	/nfs/dbraw/zinc/10/56/56/436105656.db2.gz	SMFYNTGTAICAOT-CQSZACIVSA-N	-1	1	348.403	0.787	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1cscn1	ZINC000257219280	436859019	/nfs/dbraw/zinc/85/90/19/436859019.db2.gz	DGHALXLBYZWQIV-VIFPVBQESA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1cscn1	ZINC000257219280	436859023	/nfs/dbraw/zinc/85/90/23/436859023.db2.gz	DGHALXLBYZWQIV-VIFPVBQESA-N	-1	1	342.402	0.483	40	0		ECABMM
CN1C(=O)CO[C@@H]2CCN(Cc3ccccc3OCC(=O)[O-])C[C@@H]21	ZINC000257241864	436860235	/nfs/dbraw/zinc/86/02/35/436860235.db2.gz	HZYPXLYGLBHPGV-DZGCQCFKSA-N	-1	1	334.372	0.582	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1ccncc1	ZINC000257281187	436862237	/nfs/dbraw/zinc/86/22/37/436862237.db2.gz	OOARNHZPJIJKEM-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1ccncc1	ZINC000257281187	436862241	/nfs/dbraw/zinc/86/22/41/436862241.db2.gz	OOARNHZPJIJKEM-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1Cc1nccs1	ZINC000257317249	436870628	/nfs/dbraw/zinc/87/06/28/436870628.db2.gz	VIYRNJGXDAKLSD-VIFPVBQESA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1Cc1nccs1	ZINC000257317249	436870629	/nfs/dbraw/zinc/87/06/29/436870629.db2.gz	VIYRNJGXDAKLSD-VIFPVBQESA-N	-1	1	328.419	0.843	40	0		ECABMM
CN(C)S(=O)(=O)N1CCCC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257282548	289253404	/nfs/dbraw/zinc/25/34/04/289253404.db2.gz	OUEWGGNDSQDXOG-SECBINFHSA-N	-1	1	336.439	0.147	40	0		ECABMM
CN(C)S(=O)(=O)N1CCCC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257282548	289253408	/nfs/dbraw/zinc/25/34/08/289253408.db2.gz	OUEWGGNDSQDXOG-SECBINFHSA-N	-1	1	336.439	0.147	40	0		ECABMM
Cn1ccnc1C(=O)N1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257288658	436863501	/nfs/dbraw/zinc/86/35/01/436863501.db2.gz	PVCCXIJEEUMJQR-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1ccnc1C(=O)N1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257288658	436863503	/nfs/dbraw/zinc/86/35/03/436863503.db2.gz	PVCCXIJEEUMJQR-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
CN1CCN(c2ncc3c(c2C(=O)[O-])CCN([C@H]2CCOC2)C3)CC1	ZINC000096189218	290058622	/nfs/dbraw/zinc/05/86/22/290058622.db2.gz	AXQCGKDOSBVJCI-AWEZNQCLSA-N	-1	1	346.431	0.679	40	0		ECABMM
CC1(C)[C@H]2SC(=S)N[C@@H]2S[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]21	ZINC000007260150	436009855	/nfs/dbraw/zinc/00/98/55/436009855.db2.gz	WEZNZTKGBBGDGM-DKXJUACHSA-N	-1	1	346.455	0.514	40	0		ECABMM
O=C([O-])c1ccc2c(c1)[nH]c(=S)n(CCN1CCOCC1)c2=O	ZINC000015424413	436081114	/nfs/dbraw/zinc/08/11/14/436081114.db2.gz	YDUVUBXMBNQNQJ-UHFFFAOYSA-N	-1	1	335.385	0.716	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)c1cnccn1	ZINC000257253751	244276046	/nfs/dbraw/zinc/27/60/46/244276046.db2.gz	KADBFOSMUQIWQP-LLVKDONJSA-N	-1	1	335.389	0.971	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)c1cnccn1	ZINC000257253751	244276050	/nfs/dbraw/zinc/27/60/50/244276050.db2.gz	KADBFOSMUQIWQP-LLVKDONJSA-N	-1	1	335.389	0.971	40	0		ECABMM
C[C@@H]1CCCCN1S(=O)(=O)CCNC(=O)c1cncc([O-])c1	ZINC000019496395	212032287	/nfs/dbraw/zinc/03/22/87/212032287.db2.gz	WNPDTOYORZDIMM-LLVKDONJSA-N	-1	1	327.406	0.721	40	0		ECABMM
CN(C)S(=O)(=O)N1CCCC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257282549	289254276	/nfs/dbraw/zinc/25/42/76/289254276.db2.gz	OUEWGGNDSQDXOG-VIFPVBQESA-N	-1	1	336.439	0.147	40	0		ECABMM
CN(C)S(=O)(=O)N1CCCC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257282549	289254279	/nfs/dbraw/zinc/25/42/79/289254279.db2.gz	OUEWGGNDSQDXOG-VIFPVBQESA-N	-1	1	336.439	0.147	40	0		ECABMM
CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388869	436265436	/nfs/dbraw/zinc/26/54/36/436265436.db2.gz	HOXRQDLAKFPBDN-VHSXEESVSA-N	-1	1	333.392	0.568	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)Cn1cccn1	ZINC000257295587	436863074	/nfs/dbraw/zinc/86/30/74/436863074.db2.gz	QZAGPHCJGLCPOE-LLVKDONJSA-N	-1	1	337.405	0.764	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)Cn1cccn1	ZINC000257295587	436863078	/nfs/dbraw/zinc/86/30/78/436863078.db2.gz	QZAGPHCJGLCPOE-LLVKDONJSA-N	-1	1	337.405	0.764	40	0		ECABMM
Cn1ccc(C(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)n1	ZINC000257318795	436869922	/nfs/dbraw/zinc/86/99/22/436869922.db2.gz	VPKJNEAQMFUXNI-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1ccc(C(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)n1	ZINC000257318795	436869925	/nfs/dbraw/zinc/86/99/25/436869925.db2.gz	VPKJNEAQMFUXNI-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(C(=O)c2cscn2)C1	ZINC000257218083	244172771	/nfs/dbraw/zinc/17/27/71/244172771.db2.gz	DBUQIYVABXUEMS-QMMMGPOBSA-N	-1	1	326.403	0.899	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)c2cscn2)C1	ZINC000257218083	244172776	/nfs/dbraw/zinc/17/27/76/244172776.db2.gz	DBUQIYVABXUEMS-QMMMGPOBSA-N	-1	1	326.403	0.899	40	0		ECABMM
CC1(C)[C@H]2SC(=S)N[C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]21	ZINC000024251986	436132982	/nfs/dbraw/zinc/13/29/82/436132982.db2.gz	WEZNZTKGBBGDGM-FKSUSPILSA-N	-1	1	346.455	0.514	40	0		ECABMM
CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)[O-]	ZINC000218196006	545920941	/nfs/dbraw/zinc/92/09/41/545920941.db2.gz	RZOCDOMCDFZTKW-NGZCFLSTSA-N	-1	1	334.191	0.742	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1Cc1ccc(F)cn1	ZINC000257232964	244219112	/nfs/dbraw/zinc/21/91/12/244219112.db2.gz	GNDCASWZKMAABA-LBPRGKRZSA-N	-1	1	340.380	0.921	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1Cc1ccc(F)cn1	ZINC000257232964	244219116	/nfs/dbraw/zinc/21/91/16/244219116.db2.gz	GNDCASWZKMAABA-LBPRGKRZSA-N	-1	1	340.380	0.921	40	0		ECABMM
Cn1cc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(=O)n(C)c1=O	ZINC000015324573	436078708	/nfs/dbraw/zinc/07/87/08/436078708.db2.gz	MASXNVKJDBQGHM-UHFFFAOYSA-N	-1	1	343.792	0.216	40	0		ECABMM
CCCc1c(COC)nc(N2CCN(c3ncccn3)CC2)[n-]c1=O	ZINC000022448552	436115477	/nfs/dbraw/zinc/11/54/77/436115477.db2.gz	KPRIFJWOIQYNKM-UHFFFAOYSA-N	-1	1	344.419	0.985	40	0		ECABMM
CN(C(=O)CCC(=O)[O-])[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000257315530	436871123	/nfs/dbraw/zinc/87/11/23/436871123.db2.gz	VBVKGYXOHOABQP-XJKCOSOUSA-N	-1	1	328.409	0.314	40	0		ECABMM
CCN1CC2(C1)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C[C@H]1C[C@@H](O)CN12	ZINC000514288775	438811333	/nfs/dbraw/zinc/81/13/33/438811333.db2.gz	DYCLWHZMIJKYTA-IAGOWNOFSA-N	-1	1	345.443	0.710	40	0	biogenic,in-vitro	ECABMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(=O)n(C)c1=O	ZINC000004337493	210173930	/nfs/dbraw/zinc/17/39/30/210173930.db2.gz	ITWBTOSWEYVXIM-UHFFFAOYSA-N	-1	1	343.792	0.216	40	0		ECABMM
O=C(c1cccnc1)N1CCc2c(nc(-c3cnccn3)[n-]c2=O)C1	ZINC000019337789	212017669	/nfs/dbraw/zinc/01/76/69/212017669.db2.gz	GZWTYBCHTNKQMC-UHFFFAOYSA-N	-1	1	334.339	0.820	40	0		ECABMM
Cc1cnc(C(=O)N2CC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257323650	436869963	/nfs/dbraw/zinc/86/99/63/436869963.db2.gz	WLGJTDIYIMLFKE-JTQLQIEISA-N	-1	1	335.389	0.541	40	0		ECABMM
Cc1cnc(C(=O)N2CC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257323650	436869965	/nfs/dbraw/zinc/86/99/65/436869965.db2.gz	WLGJTDIYIMLFKE-JTQLQIEISA-N	-1	1	335.389	0.541	40	0		ECABMM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1c(C)cccc1C	ZINC000102962511	219244206	/nfs/dbraw/zinc/24/42/06/219244206.db2.gz	UTWUDAUHLXBRDJ-JTQLQIEISA-N	-1	1	335.312	0.342	40	0		ECABMM
COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000020030458	212095470	/nfs/dbraw/zinc/09/54/70/212095470.db2.gz	CBJIKAWINLWPSJ-QMMMGPOBSA-N	-1	1	339.373	0.420	40	0		ECABMM
CCc1cc(C(=O)N2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)on1	ZINC000257304722	436865822	/nfs/dbraw/zinc/86/58/22/436865822.db2.gz	SMWOFXULLWYGMH-SECBINFHSA-N	-1	1	338.389	0.993	40	0		ECABMM
CCc1cc(C(=O)N2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)on1	ZINC000257304722	436865828	/nfs/dbraw/zinc/86/58/28/436865828.db2.gz	SMWOFXULLWYGMH-SECBINFHSA-N	-1	1	338.389	0.993	40	0		ECABMM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000001530597	435959792	/nfs/dbraw/zinc/95/97/92/435959792.db2.gz	RDLPVSKMFDYCOR-ZETOZRRWSA-N	-1	1	349.412	0.349	40	0		ECABMM
Cn1cccc1C(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257245979	436860062	/nfs/dbraw/zinc/86/00/62/436860062.db2.gz	IRYMTHLDTUDIFO-LLVKDONJSA-N	-1	1	338.389	0.365	40	0		ECABMM
Cn1cccc1C(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257245979	436860065	/nfs/dbraw/zinc/86/00/65/436860065.db2.gz	IRYMTHLDTUDIFO-LLVKDONJSA-N	-1	1	338.389	0.365	40	0		ECABMM
CNC(=O)[C@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN(C(C)=O)C1	ZINC000257301915	436865411	/nfs/dbraw/zinc/86/54/11/436865411.db2.gz	SANPHAQZHPNVIZ-HNNXBMFYSA-N	-1	1	333.388	0.411	40	0		ECABMM
COCCN1C(=O)CO[C@H]2CN(Cc3ccccc3C(=O)[O-])C[C@@H]21	ZINC000257328299	436873391	/nfs/dbraw/zinc/87/33/91/436873391.db2.gz	XFBJLRKGIXIEOU-GJZGRUSLSA-N	-1	1	334.372	0.443	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1	ZINC000257338490	436875366	/nfs/dbraw/zinc/87/53/66/436875366.db2.gz	YXQXWJBBIIWNKJ-SECBINFHSA-N	-1	1	345.406	0.062	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1	ZINC000257338490	436875371	/nfs/dbraw/zinc/87/53/71/436875371.db2.gz	YXQXWJBBIIWNKJ-SECBINFHSA-N	-1	1	345.406	0.062	40	0		ECABMM
Cn1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n(C)c1=O	ZINC000026771516	436166553	/nfs/dbraw/zinc/16/65/53/436166553.db2.gz	PXNLMHCHVRNEPI-AWEZNQCLSA-N	-1	1	326.356	0.506	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)Cn1cccn1	ZINC000257295588	436863321	/nfs/dbraw/zinc/86/33/21/436863321.db2.gz	QZAGPHCJGLCPOE-NSHDSACASA-N	-1	1	337.405	0.764	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)Cn1cccn1	ZINC000257295588	436863322	/nfs/dbraw/zinc/86/33/22/436863322.db2.gz	QZAGPHCJGLCPOE-NSHDSACASA-N	-1	1	337.405	0.764	40	0		ECABMM
CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3nc(C)cc(=O)[n-]3)C2)CC1	ZINC000257288642	436864261	/nfs/dbraw/zinc/86/42/61/436864261.db2.gz	PVBCUJNLKOWPTN-CQSZACIVSA-N	-1	1	348.403	0.649	40	0		ECABMM
CCOC(=O)Nc1cc(=O)[n-]c(S[C@@H]2CCS(=O)(=O)C2)n1	ZINC000217358253	535402989	/nfs/dbraw/zinc/40/29/89/535402989.db2.gz	SUFHEBUOGNUEBC-SSDOTTSWSA-N	-1	1	333.391	0.618	40	0		ECABMM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003978031	210097257	/nfs/dbraw/zinc/09/72/57/210097257.db2.gz	RDLPVSKMFDYCOR-ZIBATOQPSA-N	-1	1	349.412	0.349	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(C(=O)C2CCOCC2)C1	ZINC000257218705	244173380	/nfs/dbraw/zinc/17/33/80/244173380.db2.gz	DEEORZSFAYWPGB-GFCCVEGCSA-N	-1	1	341.433	0.946	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(C(=O)C2CCOCC2)C1	ZINC000257218705	244173383	/nfs/dbraw/zinc/17/33/83/244173383.db2.gz	DEEORZSFAYWPGB-GFCCVEGCSA-N	-1	1	341.433	0.946	40	0		ECABMM
O=C([C@H]1CCOC1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268108	280138745	/nfs/dbraw/zinc/13/87/45/280138745.db2.gz	JJRFGMWQKGNDMX-JTQLQIEISA-N	-1	1	327.344	0.560	40	0		ECABMM
COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000006421639	436001160	/nfs/dbraw/zinc/00/11/60/436001160.db2.gz	PNBLLTBBZSAFCF-FPYGCLRLSA-N	-1	1	326.692	0.992	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1Cc1cscn1	ZINC000257321524	436869766	/nfs/dbraw/zinc/86/97/66/436869766.db2.gz	WCASQJAKSHFCSA-JTQLQIEISA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1Cc1cscn1	ZINC000257321524	436869770	/nfs/dbraw/zinc/86/97/70/436869770.db2.gz	WCASQJAKSHFCSA-JTQLQIEISA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1CC(=O)N1CCCC1	ZINC000257319894	436871410	/nfs/dbraw/zinc/87/14/10/436871410.db2.gz	VUNCWPMNGZPBCM-GFCCVEGCSA-N	-1	1	340.449	0.963	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1CC(=O)N1CCCC1	ZINC000257319894	436871418	/nfs/dbraw/zinc/87/14/18/436871418.db2.gz	VUNCWPMNGZPBCM-GFCCVEGCSA-N	-1	1	340.449	0.963	40	0		ECABMM
CC1(C)[C@H]2SC(=S)N[C@@H]2S[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000100746763	219105872	/nfs/dbraw/zinc/10/58/72/219105872.db2.gz	WEZNZTKGBBGDGM-VGRMVHKJSA-N	-1	1	346.455	0.514	40	0		ECABMM
Cn1cnc(CN2CCOC[C@@H]2c2[n-]ncc2S(C)(=O)=O)c1	ZINC000257230530	244210259	/nfs/dbraw/zinc/21/02/59/244210259.db2.gz	GCSZMJZAOFKQRE-LLVKDONJSA-N	-1	1	325.394	0.120	40	0		ECABMM
Cn1cnc(CN2CCOC[C@@H]2c2n[n-]cc2S(C)(=O)=O)c1	ZINC000257230530	244210264	/nfs/dbraw/zinc/21/02/64/244210264.db2.gz	GCSZMJZAOFKQRE-LLVKDONJSA-N	-1	1	325.394	0.120	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)c1cncnc1	ZINC000257298906	436867198	/nfs/dbraw/zinc/86/71/98/436867198.db2.gz	RNUGFIDKZHYYDD-LLVKDONJSA-N	-1	1	335.389	0.971	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)c1cncnc1	ZINC000257298906	436867200	/nfs/dbraw/zinc/86/72/00/436867200.db2.gz	RNUGFIDKZHYYDD-LLVKDONJSA-N	-1	1	335.389	0.971	40	0		ECABMM
O=C(COc1ccc(C=C2NC(=S)[N-]C2=O)cc1)N1CCOCC1	ZINC000409250215	438583138	/nfs/dbraw/zinc/58/31/38/438583138.db2.gz	MRBLSAAOPCEEKL-UKTHLTGXSA-N	-1	1	347.396	0.269	40	0		ECABMM
NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399255	213297793	/nfs/dbraw/zinc/29/77/93/213297793.db2.gz	BEFDGRYEHHVWED-QMMMGPOBSA-N	-1	1	342.315	0.134	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)c1cnccn1	ZINC000257253752	244274592	/nfs/dbraw/zinc/27/45/92/244274592.db2.gz	KADBFOSMUQIWQP-NSHDSACASA-N	-1	1	335.389	0.971	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)c1cnccn1	ZINC000257253752	244274597	/nfs/dbraw/zinc/27/45/97/244274597.db2.gz	KADBFOSMUQIWQP-NSHDSACASA-N	-1	1	335.389	0.971	40	0		ECABMM
O=C([O-])CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	ZINC000002508270	435968841	/nfs/dbraw/zinc/96/88/41/435968841.db2.gz	LMUKBPFKDIAQEY-ZDUSSCGKSA-N	-1	1	346.343	0.448	40	0		ECABMM
CNC(=O)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN(C(C)=O)C1	ZINC000257301916	436865357	/nfs/dbraw/zinc/86/53/57/436865357.db2.gz	SANPHAQZHPNVIZ-OAHLLOKOSA-N	-1	1	333.388	0.411	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(C(=O)Cc2cccnc2)C1	ZINC000257316658	436870680	/nfs/dbraw/zinc/87/06/80/436870680.db2.gz	VGMHDEGKDMXHMQ-LBPRGKRZSA-N	-1	1	334.401	0.767	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)Cc2cccnc2)C1	ZINC000257316658	436870684	/nfs/dbraw/zinc/87/06/84/436870684.db2.gz	VGMHDEGKDMXHMQ-LBPRGKRZSA-N	-1	1	334.401	0.767	40	0		ECABMM
CCCCCOC(=O)[N-]c1ccn([C@@H]2O[C@H](C)[C@H](O)[C@H]2O)c(=O)n1	ZINC000078767716	217116581	/nfs/dbraw/zinc/11/65/81/217116581.db2.gz	CFRLAJNTTLUNSK-GWNIPJSYSA-N	-1	1	341.364	0.621	40	0		ECABMM
O=C(Nc1cccc(C(F)(F)F)c1)C([O-])=C1C(=O)NC(=O)NC1=O	ZINC000001630105	435961850	/nfs/dbraw/zinc/96/18/50/435961850.db2.gz	CCIYJTZCSKZVFG-UHFFFAOYSA-N	-1	1	343.217	0.195	40	0		ECABMM
Cn1ccnc1C(=O)N1CCC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257288659	436862960	/nfs/dbraw/zinc/86/29/60/436862960.db2.gz	PVCCXIJEEUMJQR-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1ccnc1C(=O)N1CCC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257288659	436862965	/nfs/dbraw/zinc/86/29/65/436862965.db2.gz	PVCCXIJEEUMJQR-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)CN3CCCCC3)C[C@H]2O)c1	ZINC000257306624	436868020	/nfs/dbraw/zinc/86/80/20/436868020.db2.gz	SVBOLLLRXCAVLY-HZPDHXFCSA-N	-1	1	348.399	0.821	40	0		ECABMM
Cc1ccc(C(=O)N2CC[C@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)s1	ZINC000306127048	437165822	/nfs/dbraw/zinc/16/58/22/437165822.db2.gz	FMSGRGHTOYDJHA-HNNXBMFYSA-N	-1	1	348.384	0.117	40	0		ECABMM
O=C([C@@H]1CCOC1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268106	296038631	/nfs/dbraw/zinc/03/86/31/296038631.db2.gz	JJRFGMWQKGNDMX-SNVBAGLBSA-N	-1	1	327.344	0.560	40	0		ECABMM
NC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)[n-]c2=O)CC1	ZINC000019937279	212087823	/nfs/dbraw/zinc/08/78/23/212087823.db2.gz	HIEXKDWMIDLKEO-UHFFFAOYSA-N	-1	1	326.356	0.774	40	0		ECABMM
COC(=O)c1n[n-]c([C@H]2OC[C@H]3OC(C)(C)O[C@H]32)c1C(=O)OC	ZINC000004973250	292035319	/nfs/dbraw/zinc/03/53/19/292035319.db2.gz	HVHHEWNJKVREBW-DIMCTHFVSA-N	-1	1	326.305	0.574	40	0		ECABMM
COC(=O)c1n[n-]c([C@H]2OC[C@@H]3OC(C)(C)O[C@@H]23)c1C(=O)OC	ZINC000004973251	292035352	/nfs/dbraw/zinc/03/53/52/292035352.db2.gz	HVHHEWNJKVREBW-MQOMDTIOSA-N	-1	1	326.305	0.574	40	0		ECABMM
CC1(C)[C@@H]2SC(=S)N[C@@H]2S[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000222181054	436702193	/nfs/dbraw/zinc/70/21/93/436702193.db2.gz	WEZNZTKGBBGDGM-ULAWRXDQSA-N	-1	1	346.455	0.514	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1ccccn1	ZINC000257307278	436867775	/nfs/dbraw/zinc/86/77/75/436867775.db2.gz	SXZRGJZTSOKKPF-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1ccccn1	ZINC000257307278	436867779	/nfs/dbraw/zinc/86/77/79/436867779.db2.gz	SXZRGJZTSOKKPF-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1	ZINC000257333211	436873403	/nfs/dbraw/zinc/87/34/03/436873403.db2.gz	YAQNQXXNVBVBEY-LLVKDONJSA-N	-1	1	337.405	0.416	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(C(=O)Cn2cccn2)C1	ZINC000257333211	436873406	/nfs/dbraw/zinc/87/34/06/436873406.db2.gz	YAQNQXXNVBVBEY-LLVKDONJSA-N	-1	1	337.405	0.416	40	0		ECABMM
O=c1[nH]cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(=O)[nH]1	ZINC000004270280	210157254	/nfs/dbraw/zinc/15/72/54/210157254.db2.gz	XIPWUUCJHSTIJF-UHFFFAOYSA-N	-1	1	335.263	0.883	40	0		ECABMM
O=C(c1ccccn1)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000072346933	436044127	/nfs/dbraw/zinc/04/41/27/436044127.db2.gz	VVSHSDKRQZQCRY-UHFFFAOYSA-N	-1	1	325.372	0.964	40	0		ECABMM
CCS(=O)(=O)N1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257261844	436862113	/nfs/dbraw/zinc/86/21/13/436862113.db2.gz	LIZLOPQSGBULLY-JTQLQIEISA-N	-1	1	335.451	0.417	40	0		ECABMM
CCS(=O)(=O)N1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257261844	436862115	/nfs/dbraw/zinc/86/21/15/436862115.db2.gz	LIZLOPQSGBULLY-JTQLQIEISA-N	-1	1	335.451	0.417	40	0		ECABMM
CC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2C(=O)COCC(=O)[O-])n1	ZINC000015676009	436083579	/nfs/dbraw/zinc/08/35/79/436083579.db2.gz	ZPBFCHJSHMPGIY-NSHDSACASA-N	-1	1	349.347	0.643	40	0	biogenic,in-vitro	ECABMM
CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223053857	436705659	/nfs/dbraw/zinc/70/56/59/436705659.db2.gz	HOXRQDLAKFPBDN-NXEZZACHSA-N	-1	1	333.392	0.568	40	0		ECABMM
CCN(CC)S(=O)(=O)N1CCO[C@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257303604	436866484	/nfs/dbraw/zinc/86/64/84/436866484.db2.gz	SHXNALKGERMXII-NSHDSACASA-N	-1	1	330.410	0.451	40	0		ECABMM
Cn1ccc(C(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)n1	ZINC000257318794	436871137	/nfs/dbraw/zinc/87/11/37/436871137.db2.gz	VPKJNEAQMFUXNI-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1ccc(C(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)n1	ZINC000257318794	436871139	/nfs/dbraw/zinc/87/11/39/436871139.db2.gz	VPKJNEAQMFUXNI-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(N)=O)CC(=O)N2	ZINC000040400180	213297941	/nfs/dbraw/zinc/29/79/41/213297941.db2.gz	RUBRNQBTKBLOKM-SSDOTTSWSA-N	-1	1	329.316	0.433	40	0		ECABMM
Cc1ccn(CCC(=O)N2CCO[C@H](c3nc(C)cc(=O)[n-]3)C2)n1	ZINC000257231228	244214719	/nfs/dbraw/zinc/21/47/19/244214719.db2.gz	GFWBZFJXCWIPLL-ZDUSSCGKSA-N	-1	1	331.376	0.986	40	0		ECABMM
O=C([N-]N1C(=O)C=CC1=O)c1ccccc1I	ZINC000000369794	435951613	/nfs/dbraw/zinc/95/16/13/435951613.db2.gz	YNFBPRCNSVMELB-UHFFFAOYSA-N	-1	1	342.092	0.861	40	0		ECABMM
O=C(N1CCCC1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1	ZINC000019014999	436104446	/nfs/dbraw/zinc/10/44/46/436104446.db2.gz	UDRWWFSBFVRWGS-UHFFFAOYSA-N	-1	1	333.392	0.180	40	0		ECABMM
O=c1c([O-])nnc2n1C[C@@]1(CCN(Cc3cccc(Cl)c3)C1)OC2	ZINC000306142902	437166854	/nfs/dbraw/zinc/16/68/54/437166854.db2.gz	XNUXEJYPJYQFIQ-INIZCTEOSA-N	-1	1	348.790	0.760	40	0		ECABMM
O=c1[n-]nc2n(c1=O)C[C@@]1(CCN(Cc3cccc(Cl)c3)C1)OC2	ZINC000306142902	437166864	/nfs/dbraw/zinc/16/68/64/437166864.db2.gz	XNUXEJYPJYQFIQ-INIZCTEOSA-N	-1	1	348.790	0.760	40	0		ECABMM
O=C(Cc1ccccn1)N1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019401231	202007232	/nfs/dbraw/zinc/00/72/32/202007232.db2.gz	NNGGUCIGUDEWRQ-UHFFFAOYSA-N	-1	1	339.399	0.893	40	0		ECABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000223312025	201033123	/nfs/dbraw/zinc/03/31/23/201033123.db2.gz	YBQWCXDZVCWQRM-UHFFFAOYSA-N	-1	1	337.357	0.087	40	0		ECABMM
Cn1cc(C(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257211849	244155245	/nfs/dbraw/zinc/15/52/45/244155245.db2.gz	CASSKEGGZMUASU-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1cc(C(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257211849	244155249	/nfs/dbraw/zinc/15/52/49/244155249.db2.gz	CASSKEGGZMUASU-JTQLQIEISA-N	-1	1	337.405	0.567	40	0		ECABMM
Cc1nc[nH]c1CN1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257222507	244187882	/nfs/dbraw/zinc/18/78/82/244187882.db2.gz	DTNVWHRORVHNDI-NSHDSACASA-N	-1	1	325.394	0.418	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1	ZINC000257248683	244263217	/nfs/dbraw/zinc/26/32/17/244263217.db2.gz	JETMKWKZYKMDBO-LLVKDONJSA-N	-1	1	332.364	0.417	40	0		ECABMM
COc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000005879770	435994243	/nfs/dbraw/zinc/99/42/43/435994243.db2.gz	LPSARIWPLFBVGX-UHFFFAOYSA-N	-1	1	347.396	0.446	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1cncs1	ZINC000257302976	436866753	/nfs/dbraw/zinc/86/67/53/436866753.db2.gz	SFGGZXMEQQJNLI-QMMMGPOBSA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1cncs1	ZINC000257302976	436866754	/nfs/dbraw/zinc/86/67/54/436866754.db2.gz	SFGGZXMEQQJNLI-QMMMGPOBSA-N	-1	1	342.402	0.483	40	0		ECABMM
Nc1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)ccc1O	ZINC000255186973	201188094	/nfs/dbraw/zinc/18/80/94/201188094.db2.gz	AJBKSBBYEJGBOT-UHFFFAOYSA-N	-1	1	343.386	0.423	40	0		ECABMM
Cc1ccc(S(=O)(=O)n2c(=O)[n-]c(=O)n(C(C)(C)C)c2=O)cc1	ZINC000255189108	244046245	/nfs/dbraw/zinc/04/62/45/244046245.db2.gz	NTLWVXDSTCXOSN-UHFFFAOYSA-N	-1	1	339.373	0.411	40	0		ECABMM
Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257266602	244362956	/nfs/dbraw/zinc/36/29/56/244362956.db2.gz	MDRFTWLJEDECCH-CQSZACIVSA-N	-1	1	345.403	0.984	40	0		ECABMM
COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(C)=O)CC2	ZINC000019018064	436105076	/nfs/dbraw/zinc/10/50/76/436105076.db2.gz	SMFYNTGTAICAOT-AWEZNQCLSA-N	-1	1	348.403	0.787	40	0		ECABMM
Cc1ncc(C(=O)N2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)c(C)n1	ZINC000257300532	436865216	/nfs/dbraw/zinc/86/52/16/436865216.db2.gz	RUQONSKXHIPFRF-LLVKDONJSA-N	-1	1	349.416	0.850	40	0		ECABMM
Cc1ncc(C(=O)N2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)c(C)n1	ZINC000257300532	436865221	/nfs/dbraw/zinc/86/52/21/436865221.db2.gz	RUQONSKXHIPFRF-LLVKDONJSA-N	-1	1	349.416	0.850	40	0		ECABMM
NS(=O)(=O)c1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c[n-]1	ZINC000029484645	202187543	/nfs/dbraw/zinc/18/75/43/202187543.db2.gz	DZUAOQNAZRADTH-UHFFFAOYSA-N	-1	1	349.416	0.015	40	0		ECABMM
Cc1ocnc1C(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257250812	244268892	/nfs/dbraw/zinc/26/88/92/244268892.db2.gz	JOCJNKANXRKEMD-SECBINFHSA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1ocnc1C(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257250812	244268894	/nfs/dbraw/zinc/26/88/94/244268894.db2.gz	JOCJNKANXRKEMD-SECBINFHSA-N	-1	1	340.361	0.323	40	0		ECABMM
CCc1cccc(C(C)C)c1NC(=O)C([O-])=C1C(=O)NC(=O)NC1=O	ZINC000001629834	435960345	/nfs/dbraw/zinc/96/03/45/435960345.db2.gz	WODIOYYWVPMYGJ-UHFFFAOYSA-N	-1	1	345.355	0.862	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1CC1(O)CCCCC1	ZINC000257284980	436862165	/nfs/dbraw/zinc/86/21/65/436862165.db2.gz	PFDLXDDUWIXWIO-GFCCVEGCSA-N	-1	1	343.449	0.882	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1CC1(O)CCCCC1	ZINC000257284980	436862168	/nfs/dbraw/zinc/86/21/68/436862168.db2.gz	PFDLXDDUWIXWIO-GFCCVEGCSA-N	-1	1	343.449	0.882	40	0		ECABMM
O=c1c([O-])nnc2n1C[C@]1(CCN(Cc3cccc(Cl)c3)C1)OC2	ZINC000306142903	437167479	/nfs/dbraw/zinc/16/74/79/437167479.db2.gz	XNUXEJYPJYQFIQ-MRXNPFEDSA-N	-1	1	348.790	0.760	40	0		ECABMM
O=c1[n-]nc2n(c1=O)C[C@]1(CCN(Cc3cccc(Cl)c3)C1)OC2	ZINC000306142903	437167489	/nfs/dbraw/zinc/16/74/89/437167489.db2.gz	XNUXEJYPJYQFIQ-MRXNPFEDSA-N	-1	1	348.790	0.760	40	0		ECABMM
O=C([O-])Cc1ccc(O[C@@H]2CN(C(=O)c3cnc[nH]3)C[C@H]2O)cc1	ZINC000257240285	244242093	/nfs/dbraw/zinc/24/20/93/244242093.db2.gz	HSWNIMKCTQFIEQ-ZIAGYGMSSA-N	-1	1	331.328	0.301	40	0		ECABMM
O=C([O-])c1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1	ZINC000257269755	244372846	/nfs/dbraw/zinc/37/28/46/244372846.db2.gz	MRGAYVFSIIORJG-ZIAGYGMSSA-N	-1	1	330.344	0.083	40	0		ECABMM
CCOC(=O)c1nc2nc(CSc3ncccn3)cc(=O)n2[n-]1	ZINC000010157032	436038212	/nfs/dbraw/zinc/03/82/12/436038212.db2.gz	PIUCIRJMZVONJI-UHFFFAOYSA-N	-1	1	332.345	0.677	40	0		ECABMM
CC1(C)[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]2S[C@H]2NC(=S)S[C@H]21	ZINC000245204329	436760199	/nfs/dbraw/zinc/76/01/99/436760199.db2.gz	WEZNZTKGBBGDGM-RULNZFCNSA-N	-1	1	346.455	0.514	40	0		ECABMM
Cn1cccc1C(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257245980	436858449	/nfs/dbraw/zinc/85/84/49/436858449.db2.gz	IRYMTHLDTUDIFO-NSHDSACASA-N	-1	1	338.389	0.365	40	0		ECABMM
Cn1cccc1C(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257245980	436858452	/nfs/dbraw/zinc/85/84/52/436858452.db2.gz	IRYMTHLDTUDIFO-NSHDSACASA-N	-1	1	338.389	0.365	40	0		ECABMM
CC1(C)O[C@H]2[C@H](CO)O[C@H](n3cc(CO)c(=O)[n-]c3=S)[C@H]2O1	ZINC000584578861	439601987	/nfs/dbraw/zinc/60/19/87/439601987.db2.gz	BETDENPMPLSMTA-KBIXCLLPSA-N	-1	1	330.362	0.220	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1	ZINC000257252167	244270126	/nfs/dbraw/zinc/27/01/26/244270126.db2.gz	JTULCTHKVSIIIP-LBPRGKRZSA-N	-1	1	336.373	0.648	40	0		ECABMM
C[C@H]1CN2c3ccccc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2[C@H](C)O1	ZINC000009009723	436034176	/nfs/dbraw/zinc/03/41/76/436034176.db2.gz	HBXQDZFIBKXKQT-KWBADKCTSA-N	-1	1	329.356	0.577	40	0		ECABMM
O=c1c([O-])nnc2n1C[C@]1(CCN(Cc3ccc(F)cc3)C1)OC2	ZINC000306137391	437167510	/nfs/dbraw/zinc/16/75/10/437167510.db2.gz	QVESMDHSMVYKFC-MRXNPFEDSA-N	-1	1	332.335	0.246	40	0		ECABMM
O=c1[n-]nc2n(c1=O)C[C@]1(CCN(Cc3ccc(F)cc3)C1)OC2	ZINC000306137391	437167514	/nfs/dbraw/zinc/16/75/14/437167514.db2.gz	QVESMDHSMVYKFC-MRXNPFEDSA-N	-1	1	332.335	0.246	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(C(=O)C2CCOCC2)C1	ZINC000585182029	439634865	/nfs/dbraw/zinc/63/48/65/439634865.db2.gz	JQMLYNFVXPBVQX-NSHDSACASA-N	-1	1	327.406	0.556	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)C2CCOCC2)C1	ZINC000585182029	439634867	/nfs/dbraw/zinc/63/48/67/439634867.db2.gz	JQMLYNFVXPBVQX-NSHDSACASA-N	-1	1	327.406	0.556	40	0		ECABMM
Cc1cc(C(=O)N2CCOC[C@@H]2c2[n-]ncc2S(C)(=O)=O)no1	ZINC000257266066	244362374	/nfs/dbraw/zinc/36/23/74/244362374.db2.gz	MBKUMTKAEOTJQU-SNVBAGLBSA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1cc(C(=O)N2CCOC[C@@H]2c2n[n-]cc2S(C)(=O)=O)no1	ZINC000257266066	244362381	/nfs/dbraw/zinc/36/23/81/244362381.db2.gz	MBKUMTKAEOTJQU-SNVBAGLBSA-N	-1	1	340.361	0.323	40	0		ECABMM
CCN1CC2(C1)C[N@@H+](Cc1cccc(C(=O)[O-])c1)C[C@@H]1C[C@@H](O)CN12	ZINC000514288774	438813055	/nfs/dbraw/zinc/81/30/55/438813055.db2.gz	DYCLWHZMIJKYTA-DLBZAZTESA-N	-1	1	345.443	0.710	40	0	biogenic,in-vitro	ECABMM
COc1ccc(-c2[nH]c3c(c2[O-])n(C)c(=O)n(C)c3=O)cc1OC	ZINC000005027136	435983958	/nfs/dbraw/zinc/98/39/58/435983958.db2.gz	ZJGCHTJHZZMQHB-UHFFFAOYSA-N	-1	1	331.328	0.955	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1	ZINC000257290527	436863828	/nfs/dbraw/zinc/86/38/28/436863828.db2.gz	QDHXXIKNVCZJBE-ZDUSSCGKSA-N	-1	1	348.403	0.793	40	0		ECABMM
Cn1cnc(CN2CCOC[C@H]2c2[n-]ncc2S(C)(=O)=O)c1	ZINC000257230531	244210533	/nfs/dbraw/zinc/21/05/33/244210533.db2.gz	GCSZMJZAOFKQRE-NSHDSACASA-N	-1	1	325.394	0.120	40	0		ECABMM
Cn1cnc(CN2CCOC[C@H]2c2n[n-]cc2S(C)(=O)=O)c1	ZINC000257230531	244210541	/nfs/dbraw/zinc/21/05/41/244210541.db2.gz	GCSZMJZAOFKQRE-NSHDSACASA-N	-1	1	325.394	0.120	40	0		ECABMM
O=C(c1cnccn1)N1CCc2c(nc(N3CCCCC3)[n-]c2=O)C1	ZINC000072346921	436044501	/nfs/dbraw/zinc/04/45/01/436044501.db2.gz	KUMWRESSSXUKNC-UHFFFAOYSA-N	-1	1	340.387	0.749	40	0		ECABMM
Cn1cc(C(=O)N2CCCC[C@H]2c2[n-]ncc2S(C)(=O)=O)cn1	ZINC000257325279	436872638	/nfs/dbraw/zinc/87/26/38/436872638.db2.gz	WSGCCLMVFAIXFB-NSHDSACASA-N	-1	1	337.405	0.914	40	0		ECABMM
Cn1cc(C(=O)N2CCCC[C@H]2c2n[n-]cc2S(C)(=O)=O)cn1	ZINC000257325279	436872640	/nfs/dbraw/zinc/87/26/40/436872640.db2.gz	WSGCCLMVFAIXFB-NSHDSACASA-N	-1	1	337.405	0.914	40	0		ECABMM
Cn1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n(C)c1=O	ZINC000026771517	436166819	/nfs/dbraw/zinc/16/68/19/436166819.db2.gz	PXNLMHCHVRNEPI-CQSZACIVSA-N	-1	1	326.356	0.506	40	0		ECABMM
CCN(CC)C(=O)CN1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257330139	436872358	/nfs/dbraw/zinc/87/23/58/436872358.db2.gz	XNAFJRIJWDECEC-NSHDSACASA-N	-1	1	344.437	0.055	40	0		ECABMM
CCN(CC)C(=O)CN1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257330139	436872360	/nfs/dbraw/zinc/87/23/60/436872360.db2.gz	XNAFJRIJWDECEC-NSHDSACASA-N	-1	1	344.437	0.055	40	0		ECABMM
COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(N)=O)CC(=O)N2	ZINC000040400178	213297904	/nfs/dbraw/zinc/29/79/04/213297904.db2.gz	RUBRNQBTKBLOKM-ZETCQYMHSA-N	-1	1	329.316	0.433	40	0		ECABMM
Cc1ncncc1C(=O)N1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257205280	244132227	/nfs/dbraw/zinc/13/22/27/244132227.db2.gz	AYJGAMFANPSCAG-NSHDSACASA-N	-1	1	349.416	0.931	40	0		ECABMM
Cc1ncncc1C(=O)N1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257205280	244132233	/nfs/dbraw/zinc/13/22/33/244132233.db2.gz	AYJGAMFANPSCAG-NSHDSACASA-N	-1	1	349.416	0.931	40	0		ECABMM
Cc1ncoc1C(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257263772	244356686	/nfs/dbraw/zinc/35/66/86/244356686.db2.gz	LRIZVXOTSXPWRK-SECBINFHSA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1ncoc1C(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257263772	244356694	/nfs/dbraw/zinc/35/66/94/244356694.db2.gz	LRIZVXOTSXPWRK-SECBINFHSA-N	-1	1	340.361	0.323	40	0		ECABMM
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1cccnc1	ZINC000001587963	435957982	/nfs/dbraw/zinc/95/79/82/435957982.db2.gz	DAXUCKGTEWLVME-UHFFFAOYSA-N	-1	1	333.325	0.965	40	0		ECABMM
CCOC(=O)Cc1cc(=O)c2c([O-])n(-c3nc(C)cc(C)n3)nc2[nH]1	ZINC000005452465	435989650	/nfs/dbraw/zinc/98/96/50/435989650.db2.gz	SJFWRKWXWMRIAX-UHFFFAOYSA-N	-1	1	343.343	0.520	40	0		ECABMM
CCOC(=O)Cc1cc([O-])c2c(=O)n(-c3nc(C)cc(C)n3)nc-2[nH]1	ZINC000005452465	435989660	/nfs/dbraw/zinc/98/96/60/435989660.db2.gz	SJFWRKWXWMRIAX-UHFFFAOYSA-N	-1	1	343.343	0.520	40	0		ECABMM
CN1C(=O)/C(=C\c2cn(CC(N)=O)c3ccccc23)C(=O)[N-]C1=S	ZINC000006949704	436006881	/nfs/dbraw/zinc/00/68/81/436006881.db2.gz	NBIPUFRTUREJHH-WDZFZDKYSA-N	-1	1	342.380	0.383	40	0		ECABMM
CCc1c(COC)nc(N2CCN(c3ncccn3)CC2)[n-]c1=O	ZINC000022448461	436116358	/nfs/dbraw/zinc/11/63/58/436116358.db2.gz	YIHCGJDJSIUFBM-UHFFFAOYSA-N	-1	1	330.392	0.595	40	0		ECABMM
CCCS(=O)(=O)N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O	ZINC000514289066	438812816	/nfs/dbraw/zinc/81/28/16/438812816.db2.gz	QIRKUUCTUASSHM-SDDRHHMPSA-N	-1	1	342.408	0.175	40	0	biogenic,in-vitro	ECABMM
Cc1cnc(C(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000072369564	216178155	/nfs/dbraw/zinc/17/81/55/216178155.db2.gz	GTQOSFZQYKBYCQ-NSHDSACASA-N	-1	1	349.416	0.931	40	0		ECABMM
Cc1cnc(C(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000072369564	216178158	/nfs/dbraw/zinc/17/81/58/216178158.db2.gz	GTQOSFZQYKBYCQ-NSHDSACASA-N	-1	1	349.416	0.931	40	0		ECABMM
COc1ccccc1N1CCN(c2nc(C)c(CCO)c(=O)[n-]2)CC1	ZINC000013611424	436065545	/nfs/dbraw/zinc/06/55/45/436065545.db2.gz	YUJKOXJZZHWIMC-UHFFFAOYSA-N	-1	1	344.415	0.948	40	0		ECABMM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003830517	210078911	/nfs/dbraw/zinc/07/89/11/210078911.db2.gz	RDLPVSKMFDYCOR-JRPNMDOOSA-N	-1	1	349.412	0.349	40	0		ECABMM
O=C(NCCCN1CCOCC1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937330	212087308	/nfs/dbraw/zinc/08/73/08/212087308.db2.gz	HBKUEYQICAYLNN-UHFFFAOYSA-N	-1	1	342.399	0.889	40	0		ECABMM
COC(=O)Cc1cc(=O)c2c([O-])n(-c3ccc(OC)cc3)nc2[nH]1	ZINC000017067436	436098523	/nfs/dbraw/zinc/09/85/23/436098523.db2.gz	OGRPFHLFUATFRI-UHFFFAOYSA-N	-1	1	329.312	0.731	40	0		ECABMM
COC(=O)Cc1cc([O-])c2c(=O)n(-c3ccc(OC)cc3)nc-2[nH]1	ZINC000017067436	436098532	/nfs/dbraw/zinc/09/85/32/436098532.db2.gz	OGRPFHLFUATFRI-UHFFFAOYSA-N	-1	1	329.312	0.731	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1cscn1	ZINC000257219279	436860036	/nfs/dbraw/zinc/86/00/36/436860036.db2.gz	DGHALXLBYZWQIV-SECBINFHSA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1cscn1	ZINC000257219279	436860041	/nfs/dbraw/zinc/86/00/41/436860041.db2.gz	DGHALXLBYZWQIV-SECBINFHSA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)c1cncnc1	ZINC000257298907	436866334	/nfs/dbraw/zinc/86/63/34/436866334.db2.gz	RNUGFIDKZHYYDD-NSHDSACASA-N	-1	1	335.389	0.971	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)c1cncnc1	ZINC000257298907	436866338	/nfs/dbraw/zinc/86/63/38/436866338.db2.gz	RNUGFIDKZHYYDD-NSHDSACASA-N	-1	1	335.389	0.971	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(C(=O)Cc2cccnc2)C1	ZINC000257316657	436870399	/nfs/dbraw/zinc/87/03/99/436870399.db2.gz	VGMHDEGKDMXHMQ-GFCCVEGCSA-N	-1	1	334.401	0.767	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)Cc2cccnc2)C1	ZINC000257316657	436870402	/nfs/dbraw/zinc/87/04/02/436870402.db2.gz	VGMHDEGKDMXHMQ-GFCCVEGCSA-N	-1	1	334.401	0.767	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)n1	ZINC000257331648	436872931	/nfs/dbraw/zinc/87/29/31/436872931.db2.gz	XTRSRAWGPGGDAE-ZDUSSCGKSA-N	-1	1	331.376	0.757	40	0		ECABMM
CCN(CC)C(=O)CN1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257330138	436873260	/nfs/dbraw/zinc/87/32/60/436873260.db2.gz	XNAFJRIJWDECEC-LLVKDONJSA-N	-1	1	344.437	0.055	40	0		ECABMM
CCN(CC)C(=O)CN1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257330138	436873263	/nfs/dbraw/zinc/87/32/63/436873263.db2.gz	XNAFJRIJWDECEC-LLVKDONJSA-N	-1	1	344.437	0.055	40	0		ECABMM
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004544919	545655109	/nfs/dbraw/zinc/65/51/09/545655109.db2.gz	TVUWMSBGMVAHSJ-UONOGXRCSA-N	-1	1	335.404	0.288	40	0		ECABMM
CC1(C)[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]2S[C@H]2NC(=S)S[C@H]21	ZINC000245204328	436760173	/nfs/dbraw/zinc/76/01/73/436760173.db2.gz	WEZNZTKGBBGDGM-LXGUWJNJSA-N	-1	1	346.455	0.514	40	0		ECABMM
CCc1cc(C(=O)N2CC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)on1	ZINC000257304723	436866188	/nfs/dbraw/zinc/86/61/88/436866188.db2.gz	SMWOFXULLWYGMH-VIFPVBQESA-N	-1	1	338.389	0.993	40	0		ECABMM
CCc1cc(C(=O)N2CC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)on1	ZINC000257304723	436866195	/nfs/dbraw/zinc/86/61/95/436866195.db2.gz	SMWOFXULLWYGMH-VIFPVBQESA-N	-1	1	338.389	0.993	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1ccccn1	ZINC000257307277	436868928	/nfs/dbraw/zinc/86/89/28/436868928.db2.gz	SXZRGJZTSOKKPF-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1ccccn1	ZINC000257307277	436868931	/nfs/dbraw/zinc/86/89/31/436868931.db2.gz	SXZRGJZTSOKKPF-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)Cn1ccnc1	ZINC000257317636	436870801	/nfs/dbraw/zinc/87/08/01/436870801.db2.gz	VKOXCLIAGYOXOA-NSHDSACASA-N	-1	1	337.405	0.764	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)Cn1ccnc1	ZINC000257317636	436870807	/nfs/dbraw/zinc/87/08/07/436870807.db2.gz	VKOXCLIAGYOXOA-NSHDSACASA-N	-1	1	337.405	0.764	40	0		ECABMM
CO[C@@H]1CN(C(=O)Cc2nn[n-]n2)C[C@]12C[C@H](c1ccccc1)CO2	ZINC000585287753	439640546	/nfs/dbraw/zinc/64/05/46/439640546.db2.gz	DWQKAKDSGIPPHO-JJRVBVJISA-N	-1	1	343.387	0.542	40	0		ECABMM
CCS(=O)(=O)N1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257261845	436861641	/nfs/dbraw/zinc/86/16/41/436861641.db2.gz	LIZLOPQSGBULLY-SNVBAGLBSA-N	-1	1	335.451	0.417	40	0		ECABMM
CCS(=O)(=O)N1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257261845	436861645	/nfs/dbraw/zinc/86/16/45/436861645.db2.gz	LIZLOPQSGBULLY-SNVBAGLBSA-N	-1	1	335.451	0.417	40	0		ECABMM
Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(n[n-]c(=O)c2=O)CO3)s1	ZINC000306127049	437164149	/nfs/dbraw/zinc/16/41/49/437164149.db2.gz	FMSGRGHTOYDJHA-OAHLLOKOSA-N	-1	1	348.384	0.117	40	0		ECABMM
NC(=O)NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399256	213298084	/nfs/dbraw/zinc/29/80/84/213298084.db2.gz	BEFDGRYEHHVWED-MRVPVSSYSA-N	-1	1	342.315	0.134	40	0		ECABMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(N)=O)CC(=O)N3)cc1	ZINC000040399983	213298095	/nfs/dbraw/zinc/29/80/95/213298095.db2.gz	ZTPUTYKCAVYCGQ-VIFPVBQESA-N	-1	1	329.316	0.433	40	0		ECABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)[C@H]2CCOC2)C3)cn1	ZINC000013227852	211537971	/nfs/dbraw/zinc/53/79/71/211537971.db2.gz	BFKJPCRMARLHDT-NSHDSACASA-N	-1	1	341.371	0.869	40	0		ECABMM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)CN3CCCCC3)C[C@H]2O)cc1	ZINC000257206114	304249213	/nfs/dbraw/zinc/24/92/13/304249213.db2.gz	BBXLJXUGSLTOBW-HZPDHXFCSA-N	-1	1	348.399	0.821	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN1C(=O)C1CCOCC1	ZINC000072388666	436045827	/nfs/dbraw/zinc/04/58/27/436045827.db2.gz	FUSBAHUVRMUFGO-LLVKDONJSA-N	-1	1	327.406	0.903	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN1C(=O)C1CCOCC1	ZINC000072388666	436045833	/nfs/dbraw/zinc/04/58/33/436045833.db2.gz	FUSBAHUVRMUFGO-LLVKDONJSA-N	-1	1	327.406	0.903	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)n1	ZINC000257290526	436863206	/nfs/dbraw/zinc/86/32/06/436863206.db2.gz	QDHXXIKNVCZJBE-CYBMUJFWSA-N	-1	1	348.403	0.793	40	0		ECABMM
CCCS(=O)(=O)N1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257316789	436869579	/nfs/dbraw/zinc/86/95/79/436869579.db2.gz	VGZZWVNDZZGPRO-JTQLQIEISA-N	-1	1	335.451	0.732	40	0		ECABMM
CCCS(=O)(=O)N1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257316789	436869581	/nfs/dbraw/zinc/86/95/81/436869581.db2.gz	VGZZWVNDZZGPRO-JTQLQIEISA-N	-1	1	335.451	0.732	40	0		ECABMM
CN1C[C@@H]2COCCN2C2(CN(C(=O)CC(C)(C)CC(=O)[O-])C2)C1	ZINC000604382135	439312405	/nfs/dbraw/zinc/31/24/05/439312405.db2.gz	HCOZBQLOLQDHPP-CYBMUJFWSA-N	-1	1	339.436	0.105	40	0	biogenic,in-vitro	ECABMM
CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)[O-]	ZINC000218195924	241305396	/nfs/dbraw/zinc/30/53/96/241305396.db2.gz	RZOCDOMCDFZTKW-YWVKMMECSA-N	-1	1	334.191	0.742	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1	ZINC000257276507	244394228	/nfs/dbraw/zinc/39/42/28/244394228.db2.gz	NUBAEFIAYBFANB-CYBMUJFWSA-N	-1	1	344.371	0.711	40	0		ECABMM
Cc1c(C(=O)N2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)cnn1C	ZINC000012181516	211311309	/nfs/dbraw/zinc/31/13/09/211311309.db2.gz	IJPQUZYEQNYTGV-UHFFFAOYSA-N	-1	1	342.403	0.611	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1CC1(O)CCCCC1	ZINC000257284981	436861520	/nfs/dbraw/zinc/86/15/20/436861520.db2.gz	PFDLXDDUWIXWIO-LBPRGKRZSA-N	-1	1	343.449	0.882	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1CC1(O)CCCCC1	ZINC000257284981	436861525	/nfs/dbraw/zinc/86/15/25/436861525.db2.gz	PFDLXDDUWIXWIO-LBPRGKRZSA-N	-1	1	343.449	0.882	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1	ZINC000257292922	436863772	/nfs/dbraw/zinc/86/37/72/436863772.db2.gz	QNLYVRHNAKINJT-LBPRGKRZSA-N	-1	1	332.364	0.462	40	0		ECABMM
O=c1c([O-])nnc2n1C[C@@]1(CCN(Cc3ccc(F)cc3)C1)OC2	ZINC000306137390	437168458	/nfs/dbraw/zinc/16/84/58/437168458.db2.gz	QVESMDHSMVYKFC-INIZCTEOSA-N	-1	1	332.335	0.246	40	0		ECABMM
O=c1[n-]nc2n(c1=O)C[C@@]1(CCN(Cc3ccc(F)cc3)C1)OC2	ZINC000306137390	437168459	/nfs/dbraw/zinc/16/84/59/437168459.db2.gz	QVESMDHSMVYKFC-INIZCTEOSA-N	-1	1	332.335	0.246	40	0		ECABMM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1c(C)cccc1C	ZINC000102962514	219244142	/nfs/dbraw/zinc/24/41/42/219244142.db2.gz	UTWUDAUHLXBRDJ-SNVBAGLBSA-N	-1	1	335.312	0.342	40	0		ECABMM
Cn1cc(C(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257211850	244151938	/nfs/dbraw/zinc/15/19/38/244151938.db2.gz	CASSKEGGZMUASU-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
Cn1cc(C(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257211850	244151947	/nfs/dbraw/zinc/15/19/47/244151947.db2.gz	CASSKEGGZMUASU-SNVBAGLBSA-N	-1	1	337.405	0.567	40	0		ECABMM
Cc1ncncc1C(=O)N1CCC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257205279	244130918	/nfs/dbraw/zinc/13/09/18/244130918.db2.gz	AYJGAMFANPSCAG-LLVKDONJSA-N	-1	1	349.416	0.931	40	0		ECABMM
Cc1ncncc1C(=O)N1CCC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257205279	244130923	/nfs/dbraw/zinc/13/09/23/244130923.db2.gz	AYJGAMFANPSCAG-LLVKDONJSA-N	-1	1	349.416	0.931	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(C(=O)c2cscn2)C1	ZINC000257218082	244173568	/nfs/dbraw/zinc/17/35/68/244173568.db2.gz	DBUQIYVABXUEMS-MRVPVSSYSA-N	-1	1	326.403	0.899	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)c2cscn2)C1	ZINC000257218082	244173575	/nfs/dbraw/zinc/17/35/75/244173575.db2.gz	DBUQIYVABXUEMS-MRVPVSSYSA-N	-1	1	326.403	0.899	40	0		ECABMM
Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257266601	244365014	/nfs/dbraw/zinc/36/50/14/244365014.db2.gz	MDRFTWLJEDECCH-AWEZNQCLSA-N	-1	1	345.403	0.984	40	0		ECABMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000005055891	210377392	/nfs/dbraw/zinc/37/73/92/210377392.db2.gz	USFYSCKMBRHYCJ-UHFFFAOYSA-N	-1	1	343.792	0.847	40	0		ECABMM
COC(=O)c1n[n-]c([C@@H]2OC[C@H]3OC(C)(C)O[C@H]32)c1C(=O)OC	ZINC000004973252	210345367	/nfs/dbraw/zinc/34/53/67/210345367.db2.gz	HVHHEWNJKVREBW-PFZYVWIYSA-N	-1	1	326.305	0.574	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1	ZINC000257292921	436864112	/nfs/dbraw/zinc/86/41/12/436864112.db2.gz	QNLYVRHNAKINJT-GFCCVEGCSA-N	-1	1	332.364	0.462	40	0		ECABMM
Nc1ncc2c(n1)Oc1cc3c(cc1=N2)Oc1nc(N)[n-]c(=O)c1N=3	ZINC000008648307	295371585	/nfs/dbraw/zinc/37/15/85/295371585.db2.gz	AFZMGXBFKXZGNX-UHFFFAOYSA-N	-1	1	336.271	0.251	40	0		ECABMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)[n-]c1=O	ZINC000010257289	436037518	/nfs/dbraw/zinc/03/75/18/436037518.db2.gz	UNRCMCRRFYFGFX-BMJMZVRVSA-N	-1	1	336.395	0.741	40	0		ECABMM
COCc1nc(N2CCN(C=O)CC2)[n-]c(=O)c1Cc1ccccc1	ZINC000022448604	436116610	/nfs/dbraw/zinc/11/66/10/436116610.db2.gz	HYEHVVXORVLBNE-UHFFFAOYSA-N	-1	1	342.399	0.786	40	0		ECABMM
O=C(Nc1ccc(Cl)cc1Cl)C([O-])=C1C(=O)NC(=O)NC1=O	ZINC000001630099	435961612	/nfs/dbraw/zinc/96/16/12/435961612.db2.gz	BHDRXAQXVKOJRL-UHFFFAOYSA-N	-1	1	344.110	0.483	40	0		ECABMM
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)[N-]C1=S	ZINC000000555521	435955312	/nfs/dbraw/zinc/95/53/12/435955312.db2.gz	MRJHZRNISDTRTD-JLHYYAGUSA-N	-1	1	331.397	0.780	40	0		ECABMM
NC(=O)Cn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000006269958	435997706	/nfs/dbraw/zinc/99/77/06/435997706.db2.gz	OXABOFUPIXWTLC-UHFFFAOYSA-N	-1	1	328.353	0.041	40	0		ECABMM
CCOC(=O)CNCC[N-]S(=O)(=O)c1nc2ccccc2s1	ZINC000016696946	436094615	/nfs/dbraw/zinc/09/46/15/436094615.db2.gz	QSNHRCZHENQCLL-UHFFFAOYSA-N	-1	1	343.430	0.727	40	0		ECABMM
CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21	ZINC000040389103	436265212	/nfs/dbraw/zinc/26/52/12/436265212.db2.gz	QJDKVHJGPXIGAA-VHSXEESVSA-N	-1	1	333.392	0.711	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1CC(=O)N1CCCC1	ZINC000257319895	436871008	/nfs/dbraw/zinc/87/10/08/436871008.db2.gz	VUNCWPMNGZPBCM-LBPRGKRZSA-N	-1	1	340.449	0.963	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1CC(=O)N1CCCC1	ZINC000257319895	436871013	/nfs/dbraw/zinc/87/10/13/436871013.db2.gz	VUNCWPMNGZPBCM-LBPRGKRZSA-N	-1	1	340.449	0.963	40	0		ECABMM
Cc1cc(=O)[n-]c([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)n1	ZINC000257252166	244271180	/nfs/dbraw/zinc/27/11/80/244271180.db2.gz	JTULCTHKVSIIIP-GFCCVEGCSA-N	-1	1	336.373	0.648	40	0		ECABMM
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)[O-]	ZINC000218195847	295550356	/nfs/dbraw/zinc/55/03/56/295550356.db2.gz	RZOCDOMCDFZTKW-KKZNHRDASA-N	-1	1	334.191	0.742	40	0		ECABMM
O=C(N1CCOCC1)N1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144563	436049448	/nfs/dbraw/zinc/04/94/48/436049448.db2.gz	LQMYIRIDXDPMGX-UHFFFAOYSA-N	-1	1	333.392	0.180	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(C(=O)c2cnccn2)C1	ZINC000257327785	436872309	/nfs/dbraw/zinc/87/23/09/436872309.db2.gz	XCTBBOOJQCUSFC-LLVKDONJSA-N	-1	1	349.416	0.698	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(C(=O)c2cnccn2)C1	ZINC000257327785	436872311	/nfs/dbraw/zinc/87/23/11/436872311.db2.gz	XCTBBOOJQCUSFC-LLVKDONJSA-N	-1	1	349.416	0.698	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(C(=O)C2CCOCC2)C1	ZINC000257218706	244178170	/nfs/dbraw/zinc/17/81/70/244178170.db2.gz	DEEORZSFAYWPGB-LBPRGKRZSA-N	-1	1	341.433	0.946	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(C(=O)C2CCOCC2)C1	ZINC000257218706	244178179	/nfs/dbraw/zinc/17/81/79/244178179.db2.gz	DEEORZSFAYWPGB-LBPRGKRZSA-N	-1	1	341.433	0.946	40	0		ECABMM
O=C(Nc1cc(Cl)ccc1Cl)C([O-])=C1C(=O)NC(=O)NC1=O	ZINC000001630097	435961711	/nfs/dbraw/zinc/96/17/11/435961711.db2.gz	HXGLKNKJJJLXJN-UHFFFAOYSA-N	-1	1	344.110	0.483	40	0		ECABMM
CCCS(=O)(=O)N1CCC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257316790	436870692	/nfs/dbraw/zinc/87/06/92/436870692.db2.gz	VGZZWVNDZZGPRO-SNVBAGLBSA-N	-1	1	335.451	0.732	40	0		ECABMM
CCCS(=O)(=O)N1CCC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257316790	436870697	/nfs/dbraw/zinc/87/06/97/436870697.db2.gz	VGZZWVNDZZGPRO-SNVBAGLBSA-N	-1	1	335.451	0.732	40	0		ECABMM
O=C([C@@H]1CCCO1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268102	296021303	/nfs/dbraw/zinc/02/13/03/296021303.db2.gz	ZXHHQOIHNFRTKT-ZDUSSCGKSA-N	-1	1	327.344	0.703	40	0		ECABMM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1	ZINC000223298381	436705696	/nfs/dbraw/zinc/70/56/96/436705696.db2.gz	YLGVFOJUQOHXID-UHFFFAOYSA-N	-1	1	349.368	0.450	40	0		ECABMM
Cc1cnc(C(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000072369565	216177044	/nfs/dbraw/zinc/17/70/44/216177044.db2.gz	GTQOSFZQYKBYCQ-LLVKDONJSA-N	-1	1	349.416	0.931	40	0		ECABMM
Cc1cnc(C(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000072369565	216177047	/nfs/dbraw/zinc/17/70/47/216177047.db2.gz	GTQOSFZQYKBYCQ-LLVKDONJSA-N	-1	1	349.416	0.931	40	0		ECABMM
Cn1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(=O)n(C)c1=O	ZINC000005055886	210376937	/nfs/dbraw/zinc/37/69/37/210376937.db2.gz	LTWPUUBULNQBFW-UHFFFAOYSA-N	-1	1	329.765	0.538	40	0		ECABMM
O=c1[n-]/c(=C\c2ccc(F)cc2)c(=O)[nH]/c1=C/c1ccc(F)cc1	ZINC000004832689	210290687	/nfs/dbraw/zinc/29/06/87/210290687.db2.gz	MAWCQEZOKYYXJU-CKOAPEAFSA-N	-1	1	326.302	0.999	40	0		ECABMM
CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21	ZINC000040389104	279493829	/nfs/dbraw/zinc/49/38/29/279493829.db2.gz	QJDKVHJGPXIGAA-UWVGGRQHSA-N	-1	1	333.392	0.711	40	0		ECABMM
O=C([O-])c1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1	ZINC000077263975	436228006	/nfs/dbraw/zinc/22/80/06/436228006.db2.gz	HNSFAGPURSQAQX-KFWWJZLASA-N	-1	1	334.372	0.129	40	0	biogenic,in-vitro	ECABMM
Cc1ncoc1C(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257263773	244356060	/nfs/dbraw/zinc/35/60/60/244356060.db2.gz	LRIZVXOTSXPWRK-VIFPVBQESA-N	-1	1	340.361	0.323	40	0		ECABMM
Cc1ncoc1C(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257263773	244356069	/nfs/dbraw/zinc/35/60/69/244356069.db2.gz	LRIZVXOTSXPWRK-VIFPVBQESA-N	-1	1	340.361	0.323	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(C(=O)c2cnccn2)C1	ZINC000257327786	436872686	/nfs/dbraw/zinc/87/26/86/436872686.db2.gz	XCTBBOOJQCUSFC-NSHDSACASA-N	-1	1	349.416	0.698	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(C(=O)c2cnccn2)C1	ZINC000257327786	436872688	/nfs/dbraw/zinc/87/26/88/436872688.db2.gz	XCTBBOOJQCUSFC-NSHDSACASA-N	-1	1	349.416	0.698	40	0		ECABMM
CCOC(=O)Nc1cc(=O)[n-]c(S[C@H]2CCS(=O)(=O)C2)n1	ZINC000217358328	535402829	/nfs/dbraw/zinc/40/28/29/535402829.db2.gz	SUFHEBUOGNUEBC-ZETCQYMHSA-N	-1	1	333.391	0.618	40	0		ECABMM
O=C(NCCN1CCOCC1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937329	212088016	/nfs/dbraw/zinc/08/80/16/212088016.db2.gz	PYMULYHHKFQSCW-UHFFFAOYSA-N	-1	1	328.372	0.499	40	0		ECABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)n1	ZINC000257276508	244393256	/nfs/dbraw/zinc/39/32/56/244393256.db2.gz	NUBAEFIAYBFANB-ZDUSSCGKSA-N	-1	1	344.371	0.711	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)Cn1ccnc1	ZINC000257317635	436869675	/nfs/dbraw/zinc/86/96/75/436869675.db2.gz	VKOXCLIAGYOXOA-LLVKDONJSA-N	-1	1	337.405	0.764	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)Cn1ccnc1	ZINC000257317635	436869679	/nfs/dbraw/zinc/86/96/79/436869679.db2.gz	VKOXCLIAGYOXOA-LLVKDONJSA-N	-1	1	337.405	0.764	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1CC1CCOCC1	ZINC000257333920	436874981	/nfs/dbraw/zinc/87/49/81/436874981.db2.gz	YDRHPDQEIYPKAG-LBPRGKRZSA-N	-1	1	329.422	0.613	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1CC1CCOCC1	ZINC000257333920	436874984	/nfs/dbraw/zinc/87/49/84/436874984.db2.gz	YDRHPDQEIYPKAG-LBPRGKRZSA-N	-1	1	329.422	0.613	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(S(=O)(=O)C2CCCC2)C1	ZINC000257344092	436877370	/nfs/dbraw/zinc/87/73/70/436877370.db2.gz	ZVSZVQLFVXSKEP-JTQLQIEISA-N	-1	1	347.462	0.875	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(S(=O)(=O)C2CCCC2)C1	ZINC000257344092	436877373	/nfs/dbraw/zinc/87/73/73/436877373.db2.gz	ZVSZVQLFVXSKEP-JTQLQIEISA-N	-1	1	347.462	0.875	40	0		ECABMM
CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388871	535408732	/nfs/dbraw/zinc/40/87/32/535408732.db2.gz	HOXRQDLAKFPBDN-UWVGGRQHSA-N	-1	1	333.392	0.568	40	0		ECABMM
Cc1nc[nH]c1CN1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257222506	244189366	/nfs/dbraw/zinc/18/93/66/244189366.db2.gz	DTNVWHRORVHNDI-LLVKDONJSA-N	-1	1	325.394	0.418	40	0		ECABMM
CC(C)C(=O)N1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[n-]c2=O)C1	ZINC000012181520	436048615	/nfs/dbraw/zinc/04/86/15/436048615.db2.gz	BRRLCKWWNVVEQR-VXGBXAGGSA-N	-1	1	334.420	0.924	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1ccncc1	ZINC000257281186	436862637	/nfs/dbraw/zinc/86/26/37/436862637.db2.gz	OOARNHZPJIJKEM-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1ccncc1	ZINC000257281186	436862642	/nfs/dbraw/zinc/86/26/42/436862642.db2.gz	OOARNHZPJIJKEM-LLVKDONJSA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1Cc1nccs1	ZINC000257317248	436870494	/nfs/dbraw/zinc/87/04/94/436870494.db2.gz	VIYRNJGXDAKLSD-SECBINFHSA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1Cc1nccs1	ZINC000257317248	436870495	/nfs/dbraw/zinc/87/04/95/436870495.db2.gz	VIYRNJGXDAKLSD-SECBINFHSA-N	-1	1	328.419	0.843	40	0		ECABMM
CCn1cc(C(=O)N2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)cn1	ZINC000072346948	216160152	/nfs/dbraw/zinc/16/01/52/216160152.db2.gz	LQYZHQOUCFTXID-UHFFFAOYSA-N	-1	1	342.403	0.785	40	0		ECABMM
Cn1cc(S(=O)(=O)[N-]c2c(F)cccc2F)c(=O)n(C)c1=O	ZINC000012968495	436059454	/nfs/dbraw/zinc/05/94/54/436059454.db2.gz	QZXCMCFLSRHFDL-UHFFFAOYSA-N	-1	1	331.300	0.163	40	0		ECABMM
Cc1ccn(CCC(=O)N2CCO[C@@H](c3nc(C)cc(=O)[n-]3)C2)n1	ZINC000257231227	244213158	/nfs/dbraw/zinc/21/31/58/244213158.db2.gz	GFWBZFJXCWIPLL-CYBMUJFWSA-N	-1	1	331.376	0.986	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1cncs1	ZINC000257302975	436866779	/nfs/dbraw/zinc/86/67/79/436866779.db2.gz	SFGGZXMEQQJNLI-MRVPVSSYSA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1cncs1	ZINC000257302975	436866784	/nfs/dbraw/zinc/86/67/84/436866784.db2.gz	SFGGZXMEQQJNLI-MRVPVSSYSA-N	-1	1	342.402	0.483	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1Cc1cscn1	ZINC000257321525	436870096	/nfs/dbraw/zinc/87/00/96/436870096.db2.gz	WCASQJAKSHFCSA-SNVBAGLBSA-N	-1	1	328.419	0.843	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1Cc1cscn1	ZINC000257321525	436870097	/nfs/dbraw/zinc/87/00/97/436870097.db2.gz	WCASQJAKSHFCSA-SNVBAGLBSA-N	-1	1	328.419	0.843	40	0		ECABMM
CC(C)C[C@@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004544918	545655383	/nfs/dbraw/zinc/65/53/83/545655383.db2.gz	TVUWMSBGMVAHSJ-KGLIPLIRSA-N	-1	1	335.404	0.288	40	0		ECABMM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]C2CCN(C)CC2)s1	ZINC000224447154	564042830	/nfs/dbraw/zinc/04/28/30/564042830.db2.gz	SXCSDBFLBOJDSV-UHFFFAOYSA-N	-1	1	333.439	0.259	40	0		ECABMM
CN1CCN(c2ncc3c(c2C(=O)[O-])CCN([C@@H]2CCOC2)C3)CC1	ZINC000096189217	290059155	/nfs/dbraw/zinc/05/91/55/290059155.db2.gz	AXQCGKDOSBVJCI-CQSZACIVSA-N	-1	1	346.431	0.679	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1cccnc1	ZINC000257324511	436872118	/nfs/dbraw/zinc/87/21/18/436872118.db2.gz	WPARQKDYNSSEGR-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1cccnc1	ZINC000257324511	436872124	/nfs/dbraw/zinc/87/21/24/436872124.db2.gz	WPARQKDYNSSEGR-NSHDSACASA-N	-1	1	336.373	0.422	40	0		ECABMM
Cn1cc(C(=O)N2CCCC[C@@H]2c2[n-]ncc2S(C)(=O)=O)cn1	ZINC000257325278	436873172	/nfs/dbraw/zinc/87/31/72/436873172.db2.gz	WSGCCLMVFAIXFB-LLVKDONJSA-N	-1	1	337.405	0.914	40	0		ECABMM
Cn1cc(C(=O)N2CCCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)cn1	ZINC000257325278	436873176	/nfs/dbraw/zinc/87/31/76/436873176.db2.gz	WSGCCLMVFAIXFB-LLVKDONJSA-N	-1	1	337.405	0.914	40	0		ECABMM
CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C(=O)[O-]	ZINC000218196070	241306411	/nfs/dbraw/zinc/30/64/11/241306411.db2.gz	RZOCDOMCDFZTKW-QXEWZRGKSA-N	-1	1	334.191	0.742	40	0		ECABMM
O=C(c1cncc([O-])c1)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1	ZINC000257265273	244357756	/nfs/dbraw/zinc/35/77/56/244357756.db2.gz	LXYIBGUFVWUNEM-KKUMJFAQSA-N	-1	1	346.387	0.683	40	0		ECABMM
O=C([C@H]1CCCO1)N1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1	ZINC000012113724	436047850	/nfs/dbraw/zinc/04/78/50/436047850.db2.gz	UCEHCAJNPBEGOZ-CQSZACIVSA-N	-1	1	332.404	0.824	40	0		ECABMM
CC1(C)[C@H]2SC(=S)N[C@@H]2S[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]21	ZINC000100746766	436547585	/nfs/dbraw/zinc/54/75/85/436547585.db2.gz	WEZNZTKGBBGDGM-OOJXKGFFSA-N	-1	1	346.455	0.514	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1	ZINC000257338491	436873829	/nfs/dbraw/zinc/87/38/29/436873829.db2.gz	YXQXWJBBIIWNKJ-VIFPVBQESA-N	-1	1	345.406	0.062	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN1S(=O)(=O)c1cn[nH]c1	ZINC000257338491	436873833	/nfs/dbraw/zinc/87/38/33/436873833.db2.gz	YXQXWJBBIIWNKJ-VIFPVBQESA-N	-1	1	345.406	0.062	40	0		ECABMM
CCCN(Cc1ccccc1OCC(=O)[O-])[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290254	439641759	/nfs/dbraw/zinc/64/17/59/439641759.db2.gz	AJILXMCMCHXLQY-CPUCHLNUSA-N	-1	1	339.388	0.483	40	0		ECABMM
COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(N)=O)CC(=O)N3)cc1	ZINC000040399985	213298155	/nfs/dbraw/zinc/29/81/55/213298155.db2.gz	ZTPUTYKCAVYCGQ-SECBINFHSA-N	-1	1	329.316	0.433	40	0		ECABMM
Cn1ccnc1CN1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257211716	244154541	/nfs/dbraw/zinc/15/45/41/244154541.db2.gz	CABSFJNRHNLLOE-JTQLQIEISA-N	-1	1	325.394	0.120	40	0		ECABMM
Cn1ccnc1CN1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257211716	244154545	/nfs/dbraw/zinc/15/45/45/244154545.db2.gz	CABSFJNRHNLLOE-JTQLQIEISA-N	-1	1	325.394	0.120	40	0		ECABMM
C[C@H]1CCCCN1S(=O)(=O)CCNC(=O)c1cncc([O-])c1	ZINC000019496396	212031910	/nfs/dbraw/zinc/03/19/10/212031910.db2.gz	WNPDTOYORZDIMM-NSHDSACASA-N	-1	1	327.406	0.721	40	0		ECABMM
COCC(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000012326955	211349585	/nfs/dbraw/zinc/34/95/85/211349585.db2.gz	FMOFPCGMQURZBS-UHFFFAOYSA-N	-1	1	329.360	0.992	40	0		ECABMM
COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1ccccn1	ZINC000001587964	435958871	/nfs/dbraw/zinc/95/88/71/435958871.db2.gz	LGPPKZASCUIMNG-UHFFFAOYSA-N	-1	1	333.325	0.965	40	0		ECABMM
CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)Cc3nn[n-]n3)[C@H]2C1	ZINC000096156978	436518213	/nfs/dbraw/zinc/51/82/13/436518213.db2.gz	AUSFIIRIHBXUGD-XEZPLFJOSA-N	-1	1	326.360	0.175	40	0		ECABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(C(=O)Cn2cccn2)C1	ZINC000257333212	436872206	/nfs/dbraw/zinc/87/22/06/436872206.db2.gz	YAQNQXXNVBVBEY-NSHDSACASA-N	-1	1	337.405	0.416	40	0		ECABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(C(=O)Cn2cccn2)C1	ZINC000257333212	436872209	/nfs/dbraw/zinc/87/22/09/436872209.db2.gz	YAQNQXXNVBVBEY-NSHDSACASA-N	-1	1	337.405	0.416	40	0		ECABMM