smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CN1CCOCC1)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C	ZINC000019456250	210250520	/nfs/dbraw/zinc/25/05/20/210250520.db2.gz	QPJJGQAGRZSSDA-OAHLLOKOSA-N	0	1	387.484	0.548	40	0		GCABMN
Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)[nH]1	ZINC000226036432	530508570	/nfs/dbraw/zinc/50/85/70/530508570.db2.gz	CDABDDRGSTXUJT-UHFFFAOYSA-N	0	1	387.462	0.781	40	0		GCABMN
COc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)c(OC)c1	ZINC000575426421	530689816	/nfs/dbraw/zinc/68/98/16/530689816.db2.gz	SUCMFSNSLGASPD-OAHLLOKOSA-N	0	1	392.499	0.149	40	0		GCABMN
CC(=O)NCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1	ZINC000008299088	291099945	/nfs/dbraw/zinc/09/99/45/291099945.db2.gz	SPBKBDMODIUIFB-XHSDSOJGSA-N	0	1	376.505	0.538	40	0	biogenic,in-vitro	GCABMN
Cn1cc(CN2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1	ZINC000306131531	212048380	/nfs/dbraw/zinc/04/83/80/212048380.db2.gz	KHZORKBLXLQVRV-OAQYLSRUSA-N	0	1	392.463	0.635	40	0		GCABMN
CC(=O)N[C@]12CN(S(=O)(=O)c3cn(CC(C)C)nc3C)C[C@H]1CN(C)CC2	ZINC000257315806	212024320	/nfs/dbraw/zinc/02/43/20/212024320.db2.gz	VCVLHSYJVNOPNG-SJLPKXTDSA-N	0	1	397.545	0.678	40	0		GCABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1	ZINC000257302134	212020223	/nfs/dbraw/zinc/02/02/23/212020223.db2.gz	SBQZODVXVWTCIB-FQEVSTJZSA-N	0	1	390.484	0.617	40	0		GCABMN
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1n1ncc(=S)[nH]c1=O	ZINC000035242178	204118831	/nfs/dbraw/zinc/11/88/31/204118831.db2.gz	NZFFGFFXGOVKBU-WKSBVSIWSA-N	0	1	387.370	0.037	40	0		GCABMN
CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C	ZINC000035442531	204219919	/nfs/dbraw/zinc/21/99/19/204219919.db2.gz	QIIGHSQGCOBPDY-UXLLHSPISA-N	0	1	394.545	0.560	40	0	biogenic,in-vitro	GCABMN
CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1	ZINC000257248394	212010885	/nfs/dbraw/zinc/01/08/85/212010885.db2.gz	JDLPUTDIJYQRFK-BDXSIMOUSA-N	0	1	383.514	0.818	40	0		GCABMN
Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)CCO	ZINC000257229284	206162144	/nfs/dbraw/zinc/16/21/44/206162144.db2.gz	FXMLTSRFJOQMME-ZRNYENFQSA-N	0	1	385.464	0.993	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)C1CCOCC1	ZINC000257211013	206160080	/nfs/dbraw/zinc/16/00/80/206160080.db2.gz	BXCNSPZSJXYTNI-YRXWBPOGSA-N	0	1	396.459	0.542	40	0		GCABMN
Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)CCO	ZINC000257221449	206160952	/nfs/dbraw/zinc/16/09/52/206160952.db2.gz	DPBYJONCIBAVGU-LMSBXDPUSA-N	0	1	393.415	0.725	40	0		GCABMN
O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CN(c2ccc(F)cc2)CCN1	ZINC000257220008	206161925	/nfs/dbraw/zinc/16/19/25/206161925.db2.gz	DJEJWKUCJODASZ-MRXNPFEDSA-N	0	1	384.477	0.146	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ncc[nH]1	ZINC000257281666	206170828	/nfs/dbraw/zinc/17/08/28/206170828.db2.gz	OQJVYGGQDUQFBG-WCVJEAGWSA-N	0	1	378.404	0.152	40	0		GCABMN
Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2ccn[nH]2)C3)n1	ZINC000306137985	206205240	/nfs/dbraw/zinc/20/52/40/206205240.db2.gz	RLTGFOXFNXGAHX-GFCCVEGCSA-N	0	1	377.426	0.216	40	0		GCABMN
C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000057369653	206211089	/nfs/dbraw/zinc/21/10/89/206211089.db2.gz	JLOYTZPZROZBLP-LBPRGKRZSA-N	0	1	391.449	0.857	40	0		GCABMN
Cn1cc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC(C)(C)C)CN3C)cn1	ZINC000306133097	206200529	/nfs/dbraw/zinc/20/05/29/206200529.db2.gz	MBRIRUCAJBDPKU-LJQANCHMSA-N	0	1	386.504	0.630	40	0		GCABMN
CCN(CC)S(=O)(=O)N1CCC(c2nc3c(c(NC)n2)CCNC3)CC1	ZINC000019711553	210285510	/nfs/dbraw/zinc/28/55/10/210285510.db2.gz	QHXKNRPLBYDZDA-UHFFFAOYSA-N	0	1	382.534	0.930	40	0		GCABMN
CS(=O)(=O)c1ccc(CN[C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)cc1	ZINC000077264066	560046833	/nfs/dbraw/zinc/04/68/33/560046833.db2.gz	AAQMYXGDTZFTOP-KURKYZTESA-N	0	1	396.509	0.614	40	0	biogenic,in-vitro	GCABMN
CCN1Cc2c(C(=O)N[C@H]3CCN(C)C3)ncn2-c2ccccc2S1(=O)=O	ZINC000096266131	570226841	/nfs/dbraw/zinc/22/68/41/570226841.db2.gz	VKFZJPBYDYYONB-ZDUSSCGKSA-N	0	1	389.481	0.830	40	0		GCABMN
CC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O	ZINC000585270393	570239126	/nfs/dbraw/zinc/23/91/26/570239126.db2.gz	VTOCOBLJJVBNBD-BHIYHBOVSA-N	0	1	388.468	0.431	40	0		GCABMN
CC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O	ZINC000585270393	570239128	/nfs/dbraw/zinc/23/91/28/570239128.db2.gz	VTOCOBLJJVBNBD-BHIYHBOVSA-N	0	1	388.468	0.431	40	0		GCABMN
CC(=O)N1C[C@H]([NH2+][C@H](Cc2cnc[nH]2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1	ZINC000006022447	570275628	/nfs/dbraw/zinc/27/56/28/570275628.db2.gz	JWWXOYVUAOFRDC-SJORKVTESA-N	0	1	384.440	0.696	40	0		GCABMN
CS(=O)(=O)c1cnc2ncnn2c1[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC000057730077	570371183	/nfs/dbraw/zinc/37/11/83/570371183.db2.gz	QUYYIIQREYRZKF-SNVBAGLBSA-N	0	1	375.414	0.271	40	0		GCABMN
COC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000004732773	570399056	/nfs/dbraw/zinc/39/90/56/570399056.db2.gz	YLJCQHVVNSTFDH-UHFFFAOYSA-N	0	1	375.362	0.804	40	0		GCABMN
CN1C[C@@]2(CO)C(O)[C@@](CO)(C1)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1	ZINC000031795621	570506265	/nfs/dbraw/zinc/50/62/65/570506265.db2.gz	QTBLVKOQTUDXKG-OWBSXZKWSA-N	0	1	384.480	0.468	40	0		GCABMN
Cc1c(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)cnn1C	ZINC000019553845	571002480	/nfs/dbraw/zinc/00/24/80/571002480.db2.gz	MRSAKKHUEKIRBR-UHFFFAOYSA-N	0	1	380.474	0.722	40	0		GCABMN
NC(=O)CN1CCC[C@@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1	ZINC000019663739	571026845	/nfs/dbraw/zinc/02/68/45/571026845.db2.gz	XPAJNHODUYEDRF-CQSZACIVSA-N	0	1	394.497	0.752	40	0		GCABMN
O=C(C[C@H]1C(=O)NCCN1C1CCCC1)N1CCN(Cc2ccccn2)CC1	ZINC000019401782	210249370	/nfs/dbraw/zinc/24/93/70/210249370.db2.gz	NBUXWGMOZZSWHV-IBGZPJMESA-N	0	1	385.512	0.859	40	0		GCABMN
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1	ZINC000226860211	530932711	/nfs/dbraw/zinc/93/27/11/530932711.db2.gz	CZHHCXZFCPENNQ-UHFFFAOYSA-N	0	1	381.391	0.018	40	0		GCABMN
Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)CCO)cn1	ZINC000257320531	212023981	/nfs/dbraw/zinc/02/39/81/212023981.db2.gz	VXFILZUCNBSVQH-ZRNYENFQSA-N	0	1	385.464	0.993	40	0		GCABMN
COCCN1C[C@H](C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)CC1=O	ZINC000257304863	212019394	/nfs/dbraw/zinc/01/93/94/212019394.db2.gz	SNLIINVLUSBECS-CQSZACIVSA-N	0	1	391.472	0.312	40	0		GCABMN
O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006575178	204185266	/nfs/dbraw/zinc/18/52/66/204185266.db2.gz	CTNAJLAPTMXBMN-BBGACYKPSA-N	0	1	383.451	0.205	40	0		GCABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1	ZINC000257202145	212000970	/nfs/dbraw/zinc/00/09/70/212000970.db2.gz	AKROBYLUKUOLEC-FQEVSTJZSA-N	0	1	391.516	0.477	40	0		GCABMN
CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NCCN1CCOCC1	ZINC000225401305	206045100	/nfs/dbraw/zinc/04/51/00/206045100.db2.gz	JSCSJBSCJXELTF-ZWKOTPCHSA-N	0	1	380.533	0.594	40	0	biogenic,in-vitro	GCABMN
CC1CCN([C@H]2[C@@H](CNS(=O)(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000030879770	206081375	/nfs/dbraw/zinc/08/13/75/206081375.db2.gz	RMIBGFFIPVLSHO-VSZNYVQBSA-N	0	1	384.498	0.186	40	0	biogenic,in-vitro	GCABMN
Cc1nnc(SCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[nH]1	ZINC000225842687	206081636	/nfs/dbraw/zinc/08/16/36/206081636.db2.gz	DHTCOXLFUXSXBF-UHFFFAOYSA-N	0	1	381.483	0.957	40	0		GCABMN
COc1ncccc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1	ZINC000306135263	206203490	/nfs/dbraw/zinc/20/34/90/206203490.db2.gz	OMBBUBWYYWGGGV-CVEARBPZSA-N	0	1	383.452	0.838	40	0		GCABMN
O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(CCc3ccccc3)C[C@@H]21)N1CCOCC1	ZINC000096251031	211324186	/nfs/dbraw/zinc/32/41/86/211324186.db2.gz	GLLVRMDGKMDHQL-GUDVDZBRSA-N	0	1	392.521	0.823	40	0		GCABMN
COc1ccc(CNC(=O)[C@@H]2CN(C(=O)CN(C)C)Cc3cn(C)nc32)cc1	ZINC000072345632	211095435	/nfs/dbraw/zinc/09/54/35/211095435.db2.gz	LGIPPYAXEVNFDY-QGZVFWFLSA-N	0	1	385.468	0.733	40	0		GCABMN
CC(C)C(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514290275	560030006	/nfs/dbraw/zinc/03/00/06/560030006.db2.gz	WBXCPZZCTCIIES-QZTJIDSGSA-N	0	1	387.480	0.873	40	0	biogenic,in-vitro	GCABMN
CC(C)C(=O)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514290275	560030007	/nfs/dbraw/zinc/03/00/07/560030007.db2.gz	WBXCPZZCTCIIES-QZTJIDSGSA-N	0	1	387.480	0.873	40	0	biogenic,in-vitro	GCABMN
O=C(NC[C@]1(O)CCN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1cnc[nH]1	ZINC000585269637	570237249	/nfs/dbraw/zinc/23/72/49/570237249.db2.gz	FECTYMOVOKIXPG-IEBWSBKVSA-N	0	1	392.431	0.486	40	0		GCABMN
O=C(NC[C@]1(O)CN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1cscn1	ZINC000585270005	570238737	/nfs/dbraw/zinc/23/87/37/570238737.db2.gz	AXYGPMNZKBKMMP-AEFFLSMTSA-N	0	1	395.456	0.829	40	0		GCABMN
CC(=O)N1C[C@@H]([NH2+][C@H](Cc2cnc[nH]2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1	ZINC000005631794	570272248	/nfs/dbraw/zinc/27/22/48/570272248.db2.gz	JWWXOYVUAOFRDC-IAGOWNOFSA-N	0	1	384.440	0.696	40	0		GCABMN
O=C([O-])c1cnc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000564968267	570310417	/nfs/dbraw/zinc/31/04/17/570310417.db2.gz	ZPTLGMVDLRLLLN-UHFFFAOYSA-N	0	1	383.408	0.249	40	0		GCABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000022457076	570347028	/nfs/dbraw/zinc/34/70/28/570347028.db2.gz	HMSAIGOZLMKVAN-AHBSSGKESA-N	0	1	378.513	0.881	40	0		GCABMN
COc1ccc(C(=O)NCCSc2nnc(C)[nH]2)cc1S(=O)(=O)N(C)C	ZINC000222910030	570430960	/nfs/dbraw/zinc/43/09/60/570430960.db2.gz	UKZIYLFLFKJYSB-UHFFFAOYSA-N	0	1	399.498	0.894	40	0		GCABMN
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O	ZINC000005460609	570440753	/nfs/dbraw/zinc/44/07/53/570440753.db2.gz	XOOHSSFXDDVBAM-XZDPQHSOSA-N	0	1	394.541	0.420	40	0		GCABMN
CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O	ZINC000005460614	570440869	/nfs/dbraw/zinc/44/08/69/570440869.db2.gz	XOOHSSFXDDVBAM-DTZQCDIJSA-N	0	1	394.541	0.420	40	0		GCABMN
CN(C)[C@@H](CNC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2	ZINC000012203794	570625500	/nfs/dbraw/zinc/62/55/00/570625500.db2.gz	VUCZSENWCLPPGI-KBPBESRZSA-N	0	1	381.454	0.334	40	0		GCABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000019370362	210247099	/nfs/dbraw/zinc/24/70/99/210247099.db2.gz	HMSAIGOZLMKVAN-ANPILNASSA-N	0	1	378.513	0.881	40	0		GCABMN
O=S(=O)(NCCN[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1	ZINC000575420503	530688617	/nfs/dbraw/zinc/68/86/17/530688617.db2.gz	CIVWJCZMEAMAPQ-NSHDSACASA-N	0	1	397.316	0.504	40	0		GCABMN
O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298664	291102529	/nfs/dbraw/zinc/10/25/29/291102529.db2.gz	BBDWLIBQDLHGNW-LZQZEXGQSA-N	0	1	387.459	0.979	40	0	biogenic,in-vitro	GCABMN
O=c1[nH]c(=O)c2cc(S(=O)(=O)N3C[C@H]4CCCN4C[C@@H]3CCO)ccc2[nH]1	ZINC000257255720	212013230	/nfs/dbraw/zinc/01/32/30/212013230.db2.gz	KIPHIYDSGLRYDV-NEPJUHHUSA-N	0	1	394.453	0.261	40	0		GCABMN
CNC(=O)[C@H]1CN(C(C)C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1	ZINC000257262002	212012644	/nfs/dbraw/zinc/01/26/44/212012644.db2.gz	LJQDPYYUVLTUGX-MRXNPFEDSA-N	0	1	381.498	0.300	40	0		GCABMN
Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[nH]1	ZINC000226001795	206087775	/nfs/dbraw/zinc/08/77/75/206087775.db2.gz	YWIHQGPSXRTCEZ-UHFFFAOYSA-N	0	1	383.499	0.951	40	0		GCABMN
COc1ccc(CNC(=O)[C@H]2CN(C(=O)CN(C)C)Cc3cn(C)nc32)cc1	ZINC000072345633	211095424	/nfs/dbraw/zinc/09/54/24/211095424.db2.gz	LGIPPYAXEVNFDY-KRWDZBQOSA-N	0	1	385.468	0.733	40	0		GCABMN
OC[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O	ZINC000020464776	210338016	/nfs/dbraw/zinc/33/80/16/210338016.db2.gz	UWUPZQDVFGZLPC-CIAFKFPVSA-N	0	1	398.507	0.483	40	0	biogenic,in-vitro	GCABMN
CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O)CC1	ZINC000514288881	560033830	/nfs/dbraw/zinc/03/38/30/560033830.db2.gz	LAEPCODZOVVVTJ-HRCADAONSA-N	0	1	387.402	0.811	40	0	biogenic,in-vitro	GCABMN
COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)C)C3)C2=O)cc1	ZINC000225388103	560043960	/nfs/dbraw/zinc/04/39/60/560043960.db2.gz	AFXVKRXTXIJUMT-AEFFLSMTSA-N	0	1	387.480	0.710	40	0	biogenic,in-vitro	GCABMN
CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585290477	570258479	/nfs/dbraw/zinc/25/84/79/570258479.db2.gz	DRYAABLMKKZKAI-QDCDUMNASA-N	0	1	381.517	0.338	40	0		GCABMN
COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCC(Cc2ccccc2)CC1	ZINC000020800252	570281258	/nfs/dbraw/zinc/28/12/58/570281258.db2.gz	ULXBASMPUGCQQT-SFHVURJKSA-N	0	1	387.480	0.831	40	0		GCABMN
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cccnc3OC)[C@@H](O)[C@H]2O1	ZINC000604381935	570353224	/nfs/dbraw/zinc/35/32/24/570353224.db2.gz	VVYQEXGDEOMVDS-GRLWTPEZSA-N	0	1	379.457	0.382	40	0	biogenic,in-vitro	GCABMN
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O	ZINC000005460615	570440899	/nfs/dbraw/zinc/44/08/99/570440899.db2.gz	XOOHSSFXDDVBAM-LCGIIJARSA-N	0	1	394.541	0.420	40	0		GCABMN
COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1N1C(=O)CCC1=O	ZINC000223221108	570450740	/nfs/dbraw/zinc/45/07/40/570450740.db2.gz	RCSTXNHQTBXINR-UHFFFAOYSA-N	0	1	381.454	0.721	40	0		GCABMN
CCCN(CCO)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1	ZINC000010383992	570790081	/nfs/dbraw/zinc/79/00/81/570790081.db2.gz	XDICOHKOYBJNCQ-INIZCTEOSA-N	0	1	376.457	0.047	40	0		GCABMN
Cn1nnnc1SCc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1	ZINC000013639793	570863231	/nfs/dbraw/zinc/86/32/31/570863231.db2.gz	AZAQVVDUQPBTLQ-UHFFFAOYSA-N	0	1	398.496	0.908	40	0		GCABMN
COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298285	1197439438	/nfs/dbraw/zinc/43/94/38/1197439438.db2.gz	DXYLHKJYJLLPTP-QGTPRVQTSA-N	0	1	385.468	0.806	40	0	biogenic,in-vitro	GCABMN
C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3ccc(O)cc3)[C@@H]2SC1	ZINC000011592641	1199147224	/nfs/dbraw/zinc/14/72/24/1199147224.db2.gz	WDLWHQDACQUCJR-JQAPWBFTSA-N	0	1	389.433	0.707	40	0		GCABMN
Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1	ZINC000019238752	210236186	/nfs/dbraw/zinc/23/61/86/210236186.db2.gz	MLDWCZLFCCESPX-ZDUSSCGKSA-N	0	1	388.453	0.847	40	0		GCABMN
O=C1C[C@H](N2CCC(C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)C(=O)N1	ZINC000015084287	210152367	/nfs/dbraw/zinc/15/23/67/210152367.db2.gz	WRAJXKZKHQXLOD-INIZCTEOSA-N	0	1	398.529	0.166	40	0		GCABMN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c1	ZINC000575420485	530688342	/nfs/dbraw/zinc/68/83/42/530688342.db2.gz	CDWLMORBQWSNIH-HNNXBMFYSA-N	0	1	392.499	0.149	40	0		GCABMN
CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1	ZINC000010157538	204331093	/nfs/dbraw/zinc/33/10/93/204331093.db2.gz	OTBXWALYXXSIJE-GJZGRUSLSA-N	0	1	388.424	0.777	40	0		GCABMN
O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2cnc[nH]2)[C@@H]1O)C1CCCC1	ZINC000077263735	205035858	/nfs/dbraw/zinc/03/58/58/205035858.db2.gz	FNYOHWJQUHMKRM-KURKYZTESA-N	0	1	388.472	0.570	40	0	biogenic,in-vitro	GCABMN
Cn1ccnc1CN[C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O	ZINC000225502886	206053896	/nfs/dbraw/zinc/05/38/96/206053896.db2.gz	DSXOENKFJKOSNJ-QVDUIBETSA-N	0	1	395.481	0.103	40	0	biogenic,in-vitro	GCABMN
O=C(N[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O)c1cccnc1	ZINC000257279988	206171155	/nfs/dbraw/zinc/17/11/55/206171155.db2.gz	OJASOFRYNWRGPY-IYWMVGAKSA-N	0	1	382.464	0.496	40	0		GCABMN
COc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1	ZINC000306126327	206196360	/nfs/dbraw/zinc/19/63/60/206196360.db2.gz	DSSLZWLHMYVCGY-OAQYLSRUSA-N	0	1	398.463	0.999	40	0		GCABMN
CCN1Cc2c(C(=O)N[C@@H]3CCN(C)C3)ncn2-c2ccccc2S1(=O)=O	ZINC000096266130	211327771	/nfs/dbraw/zinc/32/77/71/211327771.db2.gz	VKFZJPBYDYYONB-CYBMUJFWSA-N	0	1	389.481	0.830	40	0		GCABMN
O=C(CSc1cn[nH]n1)Nc1cccc(NC(=O)CSc2c[nH]nn2)n1	ZINC000020479483	210340254	/nfs/dbraw/zinc/34/02/54/210340254.db2.gz	IQFVHABXIWZONO-UHFFFAOYSA-N	0	1	391.442	0.779	40	0		GCABMN
O=C(CSc1c[nH]nn1)Nc1cccc(NC(=O)CSc2c[nH]nn2)n1	ZINC000020479483	210340258	/nfs/dbraw/zinc/34/02/58/210340258.db2.gz	IQFVHABXIWZONO-UHFFFAOYSA-N	0	1	391.442	0.779	40	0		GCABMN
CN1CCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1	ZINC000020041977	210312105	/nfs/dbraw/zinc/31/21/05/210312105.db2.gz	WCJJLMRCVJPVIX-UHFFFAOYSA-N	0	1	380.514	0.729	40	0		GCABMN
OC[C@@H]1O[C@H](CNCc2ccccn2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O	ZINC000020464779	136202665	/nfs/dbraw/zinc/20/26/65/136202665.db2.gz	UWUPZQDVFGZLPC-CLAROIROSA-N	0	1	398.507	0.483	40	0	biogenic,in-vitro	GCABMN
O=S(=O)(Nc1cnc(N2CCOCC2)nc1)c1ccc2c(c1)OCCO2	ZINC000224278533	136206544	/nfs/dbraw/zinc/20/65/44/136206544.db2.gz	PYQIOGRJRZXJLV-UHFFFAOYSA-N	0	1	378.410	0.885	40	0		GCABMN
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cccnc3)[C@@H]2O)cc1	ZINC000077264799	560046466	/nfs/dbraw/zinc/04/64/66/560046466.db2.gz	ALUMZSNAEQXVDR-KURKYZTESA-N	0	1	377.466	0.586	40	0	biogenic,in-vitro	GCABMN
COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1	ZINC000030879372	560090079	/nfs/dbraw/zinc/09/00/79/560090079.db2.gz	PLLPDAILPVSTLR-FHWLQOOXSA-N	0	1	378.469	0.942	40	0	biogenic,in-vitro	GCABMN
C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@@H]2SC1	ZINC000001530589	570294423	/nfs/dbraw/zinc/29/44/23/570294423.db2.gz	WDLWHQDACQUCJR-RZXBBBSYSA-N	0	1	389.433	0.707	40	0		GCABMN
COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4cnc[nH]4)C3)C2)cc1	ZINC000604381844	570352523	/nfs/dbraw/zinc/35/25/23/570352523.db2.gz	RIZXRLSDYXQNNZ-GOSISDBHSA-N	0	1	397.479	0.830	40	0	biogenic,in-vitro	GCABMN
CCNS(=O)(=O)c1cc(C(=O)NCCSc2nnc(C)[nH]2)ccc1OC	ZINC000222912926	570431146	/nfs/dbraw/zinc/43/11/46/570431146.db2.gz	ONBRZMPSKNLOKZ-UHFFFAOYSA-N	0	1	399.498	0.942	40	0		GCABMN
COCCOc1cc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OC	ZINC000257315360	570487363	/nfs/dbraw/zinc/48/73/63/570487363.db2.gz	VAZJHLKICCTXRR-BRWVUGGUSA-N	0	1	382.457	0.153	40	0		GCABMN
CC(=O)NCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1	ZINC000008254392	570525979	/nfs/dbraw/zinc/52/59/79/570525979.db2.gz	PVVIUQWTKSXPIV-ZACQAIPSSA-N	0	1	397.483	0.303	40	0	biogenic,in-vitro	GCABMN
N[C@@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1	ZINC000039988433	570741288	/nfs/dbraw/zinc/74/12/88/570741288.db2.gz	JFOABEUBSGGURR-LJQANCHMSA-N	0	1	396.484	0.612	40	0		GCABMN
O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCN(Cc2ccccn2)CC1	ZINC000019401785	570982910	/nfs/dbraw/zinc/98/29/10/570982910.db2.gz	NBUXWGMOZZSWHV-LJQANCHMSA-N	0	1	385.512	0.859	40	0		GCABMN
CN(CCc1ccccc1)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O	ZINC000020465746	575367886	/nfs/dbraw/zinc/36/78/86/575367886.db2.gz	GTXPYSRKMGBSFM-FUMNGEBKSA-N	0	1	376.497	0.957	40	0	biogenic,in-vitro	GCABMN
Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)n3cnc4c3ncnc4N)[C@H](C)C2)n[nH]1	ZINC000616192609	1189717723	/nfs/dbraw/zinc/71/77/23/1189717723.db2.gz	MFFIQJGZRGZJLB-VXGBXAGGSA-N	0	1	397.443	0.374	40	0		GCABMN
COc1ccc(C)cc1S(=O)(=O)NCCN[C@@]1(C)CCS(=O)(=O)C1	ZINC000575420989	530687790	/nfs/dbraw/zinc/68/77/90/530687790.db2.gz	HEZPAKMLTSLLCL-HNNXBMFYSA-N	0	1	376.500	0.449	40	0		GCABMN
O=C([O-])c1nn(-c2ccc(Br)cc2)nc1N1CC[NH+](CCO)CC1	ZINC000256048219	530888021	/nfs/dbraw/zinc/88/80/21/530888021.db2.gz	RMPDTSSGJZVOHX-UHFFFAOYSA-N	0	1	396.245	0.842	40	0		GCABMN
COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298252	291101870	/nfs/dbraw/zinc/10/18/70/291101870.db2.gz	CUSXVLGJEXPUGN-IPELMVKDSA-N	0	1	399.495	0.848	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cnn(C)c4)C[C@@H]32)cc1	ZINC000306145029	212057259	/nfs/dbraw/zinc/05/72/59/212057259.db2.gz	ZVJWSJSMZTWRQX-ZWKOTPCHSA-N	0	1	392.463	0.724	40	0		GCABMN
O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257333014	212026726	/nfs/dbraw/zinc/02/67/26/212026726.db2.gz	XZRFJSSHWLPBSG-QRVBRYPASA-N	0	1	386.452	0.345	40	0		GCABMN
Cc1cc2ncc(C(=O)N3CCC[C@@](O)(CN4CCOCC4)CC3)c(N)n2n1	ZINC000257289219	212017546	/nfs/dbraw/zinc/01/75/46/212017546.db2.gz	PXPNKPVRUMIJRX-IBGZPJMESA-N	0	1	388.472	0.309	40	0		GCABMN
Cc1nnc(SCCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)[nH]1	ZINC000226040628	206086576	/nfs/dbraw/zinc/08/65/76/206086576.db2.gz	OYEQNEZNHOMEJX-UHFFFAOYSA-N	0	1	375.520	0.916	40	0		GCABMN
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nnc(C)[nH]2)cc1	ZINC000226035287	206087876	/nfs/dbraw/zinc/08/78/76/206087876.db2.gz	VFKRUFWNCSKYTP-UHFFFAOYSA-N	0	1	399.498	0.651	40	0		GCABMN
O=C(CNC(=O)c1ccccc1)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257240896	206163880	/nfs/dbraw/zinc/16/38/80/206163880.db2.gz	HVPVEDZWBBJFKD-HXUWFJFHSA-N	0	1	375.469	0.492	40	0		GCABMN
Cc1nc2ccc(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)cc2[nH]1	ZINC000257255111	206167478	/nfs/dbraw/zinc/16/74/78/206167478.db2.gz	KGDMYQRWBNKUEG-IAGOWNOFSA-N	0	1	397.435	0.819	40	0		GCABMN
CC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)C[C@H]1C(N)=O	ZINC000257332481	206180077	/nfs/dbraw/zinc/18/00/77/206180077.db2.gz	XXMGXVLQLQIFGM-IBGZPJMESA-N	0	1	386.496	0.486	40	0		GCABMN
C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000057369658	206210423	/nfs/dbraw/zinc/21/04/23/206210423.db2.gz	JLOYTZPZROZBLP-GFCCVEGCSA-N	0	1	391.449	0.857	40	0		GCABMN
CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3)CC2)C[C@@H](C(=O)[O-])C1	ZINC000585284453	570253250	/nfs/dbraw/zinc/25/32/50/570253250.db2.gz	SJWFNXLKUWSKIY-QGZVFWFLSA-N	0	1	375.469	0.883	40	0		GCABMN
O=C(N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12)N1CCOCC1	ZINC000604381882	570352801	/nfs/dbraw/zinc/35/28/01/570352801.db2.gz	STAZLLUQZFWTJR-LJQANCHMSA-N	0	1	386.496	0.710	40	0	biogenic,in-vitro	GCABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O	ZINC000035375350	570363725	/nfs/dbraw/zinc/36/37/25/570363725.db2.gz	HWFXDYWQMGAYIQ-DDRWEVQISA-N	0	1	384.436	0.471	40	0		GCABMN
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000004899772	570416292	/nfs/dbraw/zinc/41/62/92/570416292.db2.gz	CSFVADKICPDRRF-KKUMJFAQSA-N	0	1	381.477	0.426	40	0		GCABMN
O=C(COc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1)N1CCCC1	ZINC000257273834	570488734	/nfs/dbraw/zinc/48/87/34/570488734.db2.gz	NIKXATUGNBJZTN-PMACEKPBSA-N	0	1	389.496	0.565	40	0		GCABMN
COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1	ZINC000010157545	570566300	/nfs/dbraw/zinc/56/63/00/570566300.db2.gz	QAHLLXMHQUEZSI-CVEARBPZSA-N	0	1	394.435	0.615	40	0		GCABMN
CN(C)[C@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2	ZINC000012203808	570625670	/nfs/dbraw/zinc/62/56/70/570625670.db2.gz	VUCZSENWCLPPGI-ZIAGYGMSSA-N	0	1	381.454	0.334	40	0		GCABMN
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)[nH]c2c1	ZINC000019662264	571026238	/nfs/dbraw/zinc/02/62/38/571026238.db2.gz	NVUIBLZDTPDIMJ-UHFFFAOYSA-N	0	1	385.424	0.931	40	0		GCABMN
COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298283	1185928015	/nfs/dbraw/zinc/92/80/15/1185928015.db2.gz	DXYLHKJYJLLPTP-OLMNPRSZSA-N	0	1	385.468	0.806	40	0	biogenic,in-vitro	GCABMN
CN(C)c1ccc(C(c2c(O)[nH]c(N)nc2=O)C2C(=O)N=C(N)NC2=O)cc1	ZINC000408922336	529778524	/nfs/dbraw/zinc/77/85/24/529778524.db2.gz	OKSUHAFZXBNGCV-UHFFFAOYSA-N	0	1	385.384	0.160	40	0		GCABMN
CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1	ZINC000222985568	530503224	/nfs/dbraw/zinc/50/32/24/530503224.db2.gz	AHWPIQZZCLDZTD-UHFFFAOYSA-N	0	1	377.492	0.133	40	0		GCABMN
CNS(=O)(=O)c1ccc(CCC(=O)NCCSc2nnc(C)[nH]2)cc1	ZINC000222878202	530502774	/nfs/dbraw/zinc/50/27/74/530502774.db2.gz	ZLKAWDPFTWWGTR-UHFFFAOYSA-N	0	1	383.499	0.862	40	0		GCABMN
COc1ncccc1CN1C[C@@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@@H]2C1	ZINC000306135264	212051246	/nfs/dbraw/zinc/05/12/46/212051246.db2.gz	OMBBUBWYYWGGGV-HOTGVXAUSA-N	0	1	383.452	0.838	40	0		GCABMN
COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cnco3)[C@H](N(C)CCO)[C@H]2O)c1	ZINC000257326155	212025208	/nfs/dbraw/zinc/02/52/08/212025208.db2.gz	WWBCLFSVTUSZCN-LMSBXDPUSA-N	0	1	391.424	0.287	40	0		GCABMN
CC(C)c1cc(C(=O)N2CCOC[C@](O)(CNC(=O)c3ccccn3)C2)n[nH]1	ZINC000257282835	212016803	/nfs/dbraw/zinc/01/68/03/212016803.db2.gz	OVMPCRWKNIZSRI-IBGZPJMESA-N	0	1	387.440	0.562	40	0		GCABMN
O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257204866	212003855	/nfs/dbraw/zinc/00/38/55/212003855.db2.gz	AWPZFCQIEBRCMU-HXUWFJFHSA-N	0	1	375.469	0.965	40	0		GCABMN
Cc1nc(C)c(CC(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)c(=O)[nH]1	ZINC000257211294	212003120	/nfs/dbraw/zinc/00/31/20/212003120.db2.gz	BYJNDYDAPTVWJD-IBGZPJMESA-N	0	1	378.473	0.417	40	0		GCABMN
Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O	ZINC000225501060	206053708	/nfs/dbraw/zinc/05/37/08/206053708.db2.gz	HKWIGMSQFLRXIY-OPNNQBFTSA-N	0	1	384.440	0.845	40	0	biogenic,in-vitro	GCABMN
Cc1nnc(SCCNC(=O)c2sc(N(C)S(C)(=O)=O)nc2C)[nH]1	ZINC000225879453	206082326	/nfs/dbraw/zinc/08/23/26/206082326.db2.gz	VSSDATJSCGCXAW-UHFFFAOYSA-N	0	1	390.516	0.796	40	0		GCABMN
CN1CCN(C(=O)C2=NC(=O)NC2)C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2	ZINC000257209798	206160032	/nfs/dbraw/zinc/16/00/32/206160032.db2.gz	BRXSAGOTXHTPLS-INIZCTEOSA-N	0	1	399.451	0.513	40	0		GCABMN
COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ncc[nH]3)[C@H](N(C)CCO)[C@H]2O)c1	ZINC000257318580	206178254	/nfs/dbraw/zinc/17/82/54/206178254.db2.gz	VOOOOFMDXFIZAY-NCOADZHNSA-N	0	1	390.440	0.022	40	0		GCABMN
COCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1	ZINC000257238637	206165102	/nfs/dbraw/zinc/16/51/02/206165102.db2.gz	HLWOBVOXYDMRTB-JYBIWHBTSA-N	0	1	378.469	0.545	40	0		GCABMN
O=C(c1ccn[nH]1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1	ZINC000096145470	211308115	/nfs/dbraw/zinc/30/81/15/211308115.db2.gz	VAVGEWNSFMOSKH-GDBMZVCRSA-N	0	1	375.454	0.871	40	0		GCABMN
CC[NH+](CC)Cc1ccccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000019715959	210287461	/nfs/dbraw/zinc/28/74/61/210287461.db2.gz	ZOIRIHOJUPZQRK-UHFFFAOYSA-N	0	1	380.470	0.727	40	0		GCABMN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H]1O	ZINC000514288771	560033984	/nfs/dbraw/zinc/03/39/84/560033984.db2.gz	CUQNIIDUKFGRIL-BSWAZPDLSA-N	0	1	388.461	0.343	40	0	biogenic,in-vitro	GCABMN
COc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O	ZINC000225513089	560042338	/nfs/dbraw/zinc/04/23/38/560042338.db2.gz	KKZKDGZYVQRKBR-UZKILMIQSA-N	0	1	378.469	0.985	40	0	biogenic,in-vitro	GCABMN
CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2cnc[nH]2)[C@@H]1O	ZINC000077263710	560046599	/nfs/dbraw/zinc/04/65/99/560046599.db2.gz	MXNBULIPGVBDMX-NUJGCVRESA-N	0	1	390.488	0.816	40	0	biogenic,in-vitro	GCABMN
CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@@H+]3CC(C)(C)C)N2C)CC1	ZINC000022923491	560091964	/nfs/dbraw/zinc/09/19/64/560091964.db2.gz	XQVDPIKSXKMCFD-SCTDSRPQSA-N	0	1	393.576	0.460	40	0	biogenic,in-vitro	GCABMN
CCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1	ZINC000585269657	570238161	/nfs/dbraw/zinc/23/81/61/570238161.db2.gz	GZJVNEBPQANTDO-SFTDATJTSA-N	0	1	391.512	0.811	40	0		GCABMN
CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1	ZINC000585269657	570238165	/nfs/dbraw/zinc/23/81/65/570238165.db2.gz	GZJVNEBPQANTDO-SFTDATJTSA-N	0	1	391.512	0.811	40	0		GCABMN
COc1cc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)c(OC)c3)[nH]c2=O)ccc1O	ZINC000005512681	570443579	/nfs/dbraw/zinc/44/35/79/570443579.db2.gz	IXHFRXDLUKWPHG-PVRNWPCDSA-N	0	1	382.372	0.149	40	0		GCABMN
CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1	ZINC000257202383	570486397	/nfs/dbraw/zinc/48/63/97/570486397.db2.gz	ALMWITMFQDLKMT-PMACEKPBSA-N	0	1	377.485	0.157	40	0		GCABMN
CC(=O)N1CCN([C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1	ZINC000257202383	570486400	/nfs/dbraw/zinc/48/64/00/570486400.db2.gz	ALMWITMFQDLKMT-PMACEKPBSA-N	0	1	377.485	0.157	40	0		GCABMN
CN(C)Cc1cnc2ccnn2c1CC1CCN(S(=O)(=O)N(C)C)CC1	ZINC000019704740	570897441	/nfs/dbraw/zinc/89/74/41/570897441.db2.gz	DPCZISJOAKSDPI-UHFFFAOYSA-N	0	1	380.518	0.852	40	0		GCABMN
Cc1cc(Nc2nc(C3CCN(C(=O)[C@@H](N)CO)CC3)cn3cccc23)n[nH]1	ZINC000585262984	1189776587	/nfs/dbraw/zinc/77/65/87/1189776587.db2.gz	GWLMBXVBHDZISD-AWEZNQCLSA-N	0	1	383.456	1.135	40	0		GCABMN
Cc1sc2ncn(CC3(O)CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C	ZINC000019561411	210262989	/nfs/dbraw/zinc/26/29/89/210262989.db2.gz	CHSCHUXYUCAREY-UHFFFAOYSA-N	0	1	378.498	0.990	40	0		GCABMN
Cc1nnc(SCCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)[nH]1	ZINC000223019685	530503108	/nfs/dbraw/zinc/50/31/08/530503108.db2.gz	GTPREPMSOHVKGX-UHFFFAOYSA-N	0	1	391.500	0.555	40	0		GCABMN
COc1ccc(S(=O)(=O)NCCN[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1	ZINC000575426420	530689957	/nfs/dbraw/zinc/68/99/57/530689957.db2.gz	SUCMFSNSLGASPD-HNNXBMFYSA-N	0	1	392.499	0.149	40	0		GCABMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(N)=O	ZINC000008110692	530778024	/nfs/dbraw/zinc/77/80/24/530778024.db2.gz	FDTZFNIXDXJIHJ-UHFFFAOYSA-N	0	1	398.169	0.071	40	0		GCABMN
COc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1	ZINC000306126326	212045298	/nfs/dbraw/zinc/04/52/98/212045298.db2.gz	DSSLZWLHMYVCGY-NRFANRHFSA-N	0	1	398.463	0.999	40	0		GCABMN
Nc1nc2c(c(N)n1)C[C@]1(COCC[N@@H+](Cc3ccc(/C=C/C(=O)[O-])cc3)C1)O2	ZINC000257322441	212024388	/nfs/dbraw/zinc/02/43/88/212024388.db2.gz	WFZSVGHNMDJTNL-XJDXJNMNSA-N	0	1	397.435	0.945	40	0		GCABMN
CC(=O)N1C[C@H]([NH2+][C@@H](Cc2cnc[nH]2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1	ZINC000006022446	204162020	/nfs/dbraw/zinc/16/20/20/204162020.db2.gz	JWWXOYVUAOFRDC-IRXDYDNUSA-N	0	1	384.440	0.696	40	0		GCABMN
CN1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C	ZINC000035442446	204220173	/nfs/dbraw/zinc/22/01/73/204220173.db2.gz	WCDXVSLUXSPPMB-ZVDOUQERSA-N	0	1	399.539	0.618	40	0	biogenic,in-vitro	GCABMN
CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1	ZINC000010157540	204331072	/nfs/dbraw/zinc/33/10/72/204331072.db2.gz	OTBXWALYXXSIJE-LSDHHAIUSA-N	0	1	388.424	0.777	40	0		GCABMN
CN(C)C(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)N1C	ZINC000257251389	212011113	/nfs/dbraw/zinc/01/11/13/212011113.db2.gz	JQNLRFPXBRWULO-NEPJUHHUSA-N	0	1	395.485	0.076	40	0		GCABMN
CN(C)C(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)N1C	ZINC000257250937	212010184	/nfs/dbraw/zinc/01/01/84/212010184.db2.gz	JOQJJBCHLNOPQB-NEPJUHHUSA-N	0	1	396.469	0.341	40	0		GCABMN
O=C(CCCNc1ncccn1)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257222793	212005613	/nfs/dbraw/zinc/00/56/13/212005613.db2.gz	DUSBAAYIZIUQGW-LJQANCHMSA-N	0	1	377.489	0.745	40	0		GCABMN
Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1	ZINC000257204164	212003075	/nfs/dbraw/zinc/00/30/75/212003075.db2.gz	ATIAGBSQOHMFKI-YSHGAJCASA-N	0	1	385.468	0.980	40	0		GCABMN
CC(C)NC(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O	ZINC000077264904	205035673	/nfs/dbraw/zinc/03/56/73/205035673.db2.gz	NIMFJIHKWMARSX-OAGGEKHMSA-N	0	1	385.486	0.016	40	0	biogenic,in-vitro	GCABMN
COCCN1CCN(c2ccc3ccc(C(=O)NCC(=O)N(C)C)cn32)CC1	ZINC000096155899	205537069	/nfs/dbraw/zinc/53/70/69/205537069.db2.gz	GRTWBUFGSIONQW-UHFFFAOYSA-N	0	1	387.484	0.526	40	0		GCABMN
O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257204865	206159959	/nfs/dbraw/zinc/15/99/59/206159959.db2.gz	AWPZFCQIEBRCMU-FQEVSTJZSA-N	0	1	375.469	0.965	40	0		GCABMN
C[C@@H]1CN(C[C@@]2(O)[C@H](O)C[C@@H](N(C)C(=O)OC(C)(C)C)C[C@@H]2O)C[C@H](C)O1	ZINC000257222564	206160411	/nfs/dbraw/zinc/16/04/11/206160411.db2.gz	DTTLDNMPVQVYOH-AOLPCXKKSA-N	0	1	388.505	0.578	40	0		GCABMN
Cc1ccc2nc(COCC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)[nH]c2c1	ZINC000257285207	206172969	/nfs/dbraw/zinc/17/29/69/206172969.db2.gz	PGCLPKZJIPWJAT-WRWLIDTKSA-N	0	1	388.468	0.728	40	0		GCABMN
Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N(C)CCO)c1	ZINC000257250252	206167155	/nfs/dbraw/zinc/16/71/55/206167155.db2.gz	JLTBBOHKJCYEPZ-ZRNYENFQSA-N	0	1	385.464	0.993	40	0		GCABMN
O=c1[nH]cc(CN2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)c(=O)[nH]1	ZINC000306129431	206198960	/nfs/dbraw/zinc/19/89/60/206198960.db2.gz	ICYRSOFZVQTYCS-KDOFPFPSSA-N	0	1	388.428	0.540	40	0		GCABMN
O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCCC3)C2)C(=O)N1Cc1cccnc1	ZINC000225382550	560044175	/nfs/dbraw/zinc/04/41/75/560044175.db2.gz	NOAIFYFKZJWEOH-MSOLQXFVSA-N	0	1	384.480	0.773	40	0	biogenic,in-vitro	GCABMN
CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O	ZINC000585270372	570239378	/nfs/dbraw/zinc/23/93/78/570239378.db2.gz	IJQOCDIOUOWMNO-UYAOXDASSA-N	0	1	388.468	0.433	40	0		GCABMN
CC(=O)NC[C@]1(O)CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O	ZINC000585270372	570239380	/nfs/dbraw/zinc/23/93/80/570239380.db2.gz	IJQOCDIOUOWMNO-UYAOXDASSA-N	0	1	388.468	0.433	40	0		GCABMN
CC(=O)N1CC[N@@H+](CC2(O)CCN(c3ccccc3)CC2)C[C@H](C(=O)[O-])C1	ZINC000585284452	570253436	/nfs/dbraw/zinc/25/34/36/570253436.db2.gz	SJWFNXLKUWSKIY-KRWDZBQOSA-N	0	1	375.469	0.883	40	0		GCABMN
O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1	ZINC000604381931	570352982	/nfs/dbraw/zinc/35/29/82/570352982.db2.gz	VTXUZORLHOLIKV-MRXNPFEDSA-N	0	1	385.443	0.960	40	0	biogenic,in-vitro	GCABMN
CN(C)[C@H](CNC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2	ZINC000012203798	570625633	/nfs/dbraw/zinc/62/56/33/570625633.db2.gz	VUCZSENWCLPPGI-UONOGXRCSA-N	0	1	381.454	0.334	40	0		GCABMN
Cc1nc(O)c(C(c2ccc3c(c2)OCO3)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1	ZINC000016363269	570923734	/nfs/dbraw/zinc/92/37/34/570923734.db2.gz	UQAZMVJXHITMKS-UHFFFAOYSA-N	0	1	384.348	0.790	40	0		GCABMN
O=C([O-])[C@H](C1CC1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000566358202	1187771201	/nfs/dbraw/zinc/77/12/01/1187771201.db2.gz	SZTBOCKGIGZDGJ-INIZCTEOSA-N	0	1	382.438	0.627	40	0		GCABMN
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000005763570	530336936	/nfs/dbraw/zinc/33/69/36/530336936.db2.gz	IJKPKZGMVXHRDM-AWEZNQCLSA-N	0	1	385.511	0.596	40	0		GCABMN
Cc1nnc(SCCNC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)[nH]1	ZINC000225975172	530508509	/nfs/dbraw/zinc/50/85/09/530508509.db2.gz	HOHUWZJUABLDSZ-UHFFFAOYSA-N	0	1	383.499	0.960	40	0		GCABMN
C[C@@]1(NCCNS(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1	ZINC000575426243	530690171	/nfs/dbraw/zinc/69/01/71/530690171.db2.gz	PKFHCYITVLWASF-MRXNPFEDSA-N	0	1	383.495	0.680	40	0		GCABMN
Cc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC(C)C)nc2CO3)n1	ZINC000306129943	212047433	/nfs/dbraw/zinc/04/74/33/212047433.db2.gz	IRKQBPSVLJRZCF-FQEVSTJZSA-N	0	1	385.468	0.939	40	0		GCABMN
COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cn[nH]c3)[C@H](N(C)CCO)[C@H]2O)c1	ZINC000257311011	212021180	/nfs/dbraw/zinc/02/11/80/212021180.db2.gz	UHNYMCGOVIJJRJ-BDXSIMOUSA-N	0	1	390.440	0.022	40	0		GCABMN
O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006575176	204184958	/nfs/dbraw/zinc/18/49/58/204184958.db2.gz	CTNAJLAPTMXBMN-MIJXAVMKSA-N	0	1	383.451	0.205	40	0		GCABMN
Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1	ZINC000257275644	212016184	/nfs/dbraw/zinc/01/61/84/212016184.db2.gz	NQFNPXDMSJXSDU-YSHGAJCASA-N	0	1	385.468	0.980	40	0		GCABMN
CC(C)c1cc(C(=O)N2CCOC[C@@](O)(CNC(=O)c3ccccn3)C2)n[nH]1	ZINC000257282836	212015633	/nfs/dbraw/zinc/01/56/33/212015633.db2.gz	OVMPCRWKNIZSRI-LJQANCHMSA-N	0	1	387.440	0.562	40	0		GCABMN
CN(C)C(=O)c1ccc(=O)n(C[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1	ZINC000257250228	212010908	/nfs/dbraw/zinc/01/09/08/212010908.db2.gz	JLQXQLIMTIIFEJ-FQEVSTJZSA-N	0	1	398.507	0.729	40	0		GCABMN
CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O	ZINC000077263898	205035212	/nfs/dbraw/zinc/03/52/12/205035212.db2.gz	NZTCSRMJFQIAMY-NUJGCVRESA-N	0	1	398.525	0.860	40	0	biogenic,in-vitro	GCABMN
COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)cc1	ZINC000225387922	206046322	/nfs/dbraw/zinc/04/63/22/206046322.db2.gz	YJVVMIXBMUEYSJ-MJGOQNOKSA-N	0	1	399.491	0.996	40	0	biogenic,in-vitro	GCABMN
Cc1nnc(SCCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)[nH]1	ZINC000226034741	206086974	/nfs/dbraw/zinc/08/69/74/206086974.db2.gz	GHWXXNFQINAMMG-UHFFFAOYSA-N	0	1	383.499	0.783	40	0		GCABMN
Cn1ccnc1CN[C@@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)CC(=O)N(C)C1	ZINC000096113400	206118523	/nfs/dbraw/zinc/11/85/23/206118523.db2.gz	HEBCQJIUHNXGRX-IAGOWNOFSA-N	0	1	390.532	0.301	40	0	biogenic,in-vitro	GCABMN
Cc1ccc2nc(CCC(=O)N3C[C@@H](O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH]c2c1	ZINC000257233495	206162769	/nfs/dbraw/zinc/16/27/69/206162769.db2.gz	GPNLCJJOAZNZBQ-HZPDHXFCSA-N	0	1	397.435	0.819	40	0		GCABMN
O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cn[nH]c1	ZINC000257258084	206168742	/nfs/dbraw/zinc/16/87/42/206168742.db2.gz	KSIXREPHQLACKV-YRXWBPOGSA-N	0	1	386.452	0.546	40	0		GCABMN
COCCNC(=O)c1ccc2ccc(N3CCN(C(=O)CN(C)C)CC3)n2c1	ZINC000096267380	211328710	/nfs/dbraw/zinc/32/87/10/211328710.db2.gz	WJVASNMINOCLBN-UHFFFAOYSA-N	0	1	387.484	0.526	40	0		GCABMN
Cc1c(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(=O)n(C)c(=O)n1C	ZINC000012122392	221155037	/nfs/dbraw/zinc/15/50/37/221155037.db2.gz	CWYUKEHQEOOZHR-UHFFFAOYSA-N	0	1	394.435	0.508	40	0		GCABMN
Cc1c(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(=O)n(C)c(=O)n1C	ZINC000012122392	221155039	/nfs/dbraw/zinc/15/50/39/221155039.db2.gz	CWYUKEHQEOOZHR-UHFFFAOYSA-N	0	1	394.435	0.508	40	0		GCABMN
CC(C)[C@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(C(F)(F)F)n1	ZINC000328994517	570211202	/nfs/dbraw/zinc/21/12/02/570211202.db2.gz	JFEBZQVQNMABRT-ZDUSSCGKSA-N	0	1	390.454	0.427	40	0		GCABMN
CC(=O)NCC(=O)N1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1	ZINC000096242443	570222954	/nfs/dbraw/zinc/22/29/54/570222954.db2.gz	SEYRKGDUMHVILI-UHFFFAOYSA-N	0	1	386.496	0.587	40	0		GCABMN
O=C(NC[C@]1(O)CN(Cc2ccc(OCCF)cc2)C[C@H]1O)c1ccccn1	ZINC000585271316	570239801	/nfs/dbraw/zinc/23/98/01/570239801.db2.gz	WDOKLRLCWLFBGN-QUCCMNQESA-N	0	1	389.427	0.768	40	0		GCABMN
COCCN1C(=O)CO[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21	ZINC000585290082	570257820	/nfs/dbraw/zinc/25/78/20/570257820.db2.gz	ZRRXPXYJAMCKSI-ZFORQUDYSA-N	0	1	390.480	0.905	40	0		GCABMN
Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)[nH]1	ZINC000222756243	570424089	/nfs/dbraw/zinc/42/40/89/570424089.db2.gz	RPUZGAMZBPRKHE-UHFFFAOYSA-N	0	1	399.498	0.651	40	0		GCABMN
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CSC)C(N)=O	ZINC000005460606	570440912	/nfs/dbraw/zinc/44/09/12/570440912.db2.gz	XOOHSSFXDDVBAM-MIGQKNRLSA-N	0	1	394.541	0.420	40	0		GCABMN
COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1	ZINC000010157547	570566426	/nfs/dbraw/zinc/56/64/26/570566426.db2.gz	QAHLLXMHQUEZSI-HZPDHXFCSA-N	0	1	394.435	0.615	40	0		GCABMN
Cc1cn(CC(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1	ZINC000019238751	570967905	/nfs/dbraw/zinc/96/79/05/570967905.db2.gz	MLDWCZLFCCESPX-CYBMUJFWSA-N	0	1	388.453	0.847	40	0		GCABMN
Cc1c(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cnn1C(F)F	ZINC000019553047	530146792	/nfs/dbraw/zinc/14/67/92/530146792.db2.gz	XYNCZGUMXOFCGB-UHFFFAOYSA-N	0	1	377.461	0.987	40	0		GCABMN
CCS(=O)(=O)N(C)CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1	ZINC000225957984	530508281	/nfs/dbraw/zinc/50/82/81/530508281.db2.gz	HMWMEJYMSUQPDA-UHFFFAOYSA-N	0	1	383.499	0.962	40	0		GCABMN
O=S(=O)(NCCN[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1	ZINC000575420502	530688865	/nfs/dbraw/zinc/68/88/65/530688865.db2.gz	CIVWJCZMEAMAPQ-LLVKDONJSA-N	0	1	397.316	0.504	40	0		GCABMN
CC(=O)NCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1	ZINC000008299085	291099613	/nfs/dbraw/zinc/09/96/13/291099613.db2.gz	SPBKBDMODIUIFB-OAGGEKHMSA-N	0	1	376.505	0.538	40	0	biogenic,in-vitro	GCABMN
CN1c2ccc(Cl)cc2-c2nn(CCN3CCCC3)c(=O)c(=O)n2CC1=O	ZINC000001849770	206392996	/nfs/dbraw/zinc/39/29/96/206392996.db2.gz	QMNIMNZZZDRLEY-UHFFFAOYSA-N	0	1	389.843	0.798	40	0		GCABMN
CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc3c(c(NC)n2)CNCC3)C1	ZINC000019711495	207152939	/nfs/dbraw/zinc/15/29/39/207152939.db2.gz	NTDPVAXTKCVHRI-ZDUSSCGKSA-N	0	1	382.534	0.930	40	0		GCABMN
Cc1nc2ccc(CCC(=O)N[C@@H]3CCC[C@@H](N4CCNC(=O)C4)[C@@H]3O)cc2[nH]1	ZINC000257216639	209057851	/nfs/dbraw/zinc/05/78/51/209057851.db2.gz	CVMGPSBVDCORBA-HGHGUNKESA-N	0	1	399.495	0.634	40	0		GCABMN
CN(C)[C@@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2	ZINC000012203802	221167860	/nfs/dbraw/zinc/16/78/60/221167860.db2.gz	VUCZSENWCLPPGI-KGLIPLIRSA-N	0	1	381.454	0.334	40	0		GCABMN
CC(=O)N1CC[C@H](c2nn(CCNC(=O)CN3CCCC3)c3ncccc23)C1	ZINC000019016541	221393967	/nfs/dbraw/zinc/39/39/67/221393967.db2.gz	QSXHCWZUQGSSEK-INIZCTEOSA-N	0	1	384.484	0.979	40	0		GCABMN
O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1	ZINC000224326933	136206935	/nfs/dbraw/zinc/20/69/35/136206935.db2.gz	QXTCQBLHELPHRG-UHFFFAOYSA-N	0	1	395.510	0.886	40	0		GCABMN
Cc1cccnc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O	ZINC000225511361	560042354	/nfs/dbraw/zinc/04/23/54/560042354.db2.gz	PGCTUGMDSLWRTI-UZKILMIQSA-N	0	1	391.468	0.014	40	0	biogenic,in-vitro	GCABMN
CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1	ZINC000022878611	570332829	/nfs/dbraw/zinc/33/28/29/570332829.db2.gz	DWBNRYKHIFAIAA-UHFFFAOYSA-N	0	1	396.495	0.804	40	0		GCABMN
CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2ccn[nH]2)C1	ZINC000057730081	570371378	/nfs/dbraw/zinc/37/13/78/570371378.db2.gz	QUYYIIQREYRZKF-JTQLQIEISA-N	0	1	375.414	0.271	40	0		GCABMN
Cc1nnc(SCCNC(=O)CN(CCc2ccccc2)S(C)(=O)=O)[nH]1	ZINC000226039864	570639594	/nfs/dbraw/zinc/63/95/94/570639594.db2.gz	PPRGPTZBTABFDS-UHFFFAOYSA-N	0	1	397.526	0.826	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cnn(C)c1	ZINC000257281380	570775022	/nfs/dbraw/zinc/77/50/22/570775022.db2.gz	OOXPGPZPTIMGLB-BDXSIMOUSA-N	0	1	392.431	0.163	40	0		GCABMN
C[C@@H](CN1CCOCC1)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C	ZINC000019456248	570987244	/nfs/dbraw/zinc/98/72/44/570987244.db2.gz	QPJJGQAGRZSSDA-HNNXBMFYSA-N	0	1	387.484	0.548	40	0		GCABMN
COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1Br	ZINC000022913011	530496899	/nfs/dbraw/zinc/49/68/99/530496899.db2.gz	SFXCOTAYVSGEIE-UHFFFAOYSA-N	0	1	392.319	0.983	40	0		GCABMN
CNS(=O)(=O)c1cc(C(=O)NCCSc2nnc(C)[nH]2)ccc1OC	ZINC000222902178	530502636	/nfs/dbraw/zinc/50/26/36/530502636.db2.gz	ZIMXTSWJPGHRTC-UHFFFAOYSA-N	0	1	385.471	0.552	40	0		GCABMN
C[C@]1(NCCNS(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1	ZINC000575426242	530689874	/nfs/dbraw/zinc/68/98/74/530689874.db2.gz	PKFHCYITVLWASF-INIZCTEOSA-N	0	1	383.495	0.680	40	0		GCABMN
CC1CCN([C@H]2[C@@H](CNS(=O)(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465997	530918847	/nfs/dbraw/zinc/91/88/47/530918847.db2.gz	MYDDSIGMUZDKLG-BFJAYTPKSA-N	0	1	390.527	0.248	40	0	biogenic,in-vitro	GCABMN
CCCCc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCCNC(C)=O)nn1	ZINC000008299097	291100822	/nfs/dbraw/zinc/10/08/22/291100822.db2.gz	DTXWRQAEWJXMGT-JQHSSLGASA-N	0	1	376.505	0.583	40	0	biogenic,in-vitro	GCABMN
CN1C[C@@]2(CO)C(O)[C@@](CO)(C1)[C@H](c1ccccn1)N(C)[C@@H]2c1ccccn1	ZINC000001612208	206387308	/nfs/dbraw/zinc/38/73/08/206387308.db2.gz	QTBLVKOQTUDXKG-JCCIXQHDSA-N	0	1	384.480	0.468	40	0		GCABMN
Cc1noc(C)c1S(=O)(=O)N1CCNC[C@H](Cc2cc(N(C)C)ncn2)C1	ZINC000072355219	208000976	/nfs/dbraw/zinc/00/09/76/208000976.db2.gz	FAGYLRMLQKLVGD-AWEZNQCLSA-N	0	1	394.501	0.600	40	0		GCABMN
Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCOCC4)sc3CC2)n[nH]1	ZINC000096264782	208296960	/nfs/dbraw/zinc/29/69/60/208296960.db2.gz	YILBINIKJYBEMD-UHFFFAOYSA-N	0	1	375.454	0.888	40	0		GCABMN
COc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2cccnc12	ZINC000223312742	208899117	/nfs/dbraw/zinc/89/91/17/208899117.db2.gz	GNZZJLKWLQZDDP-UHFFFAOYSA-N	0	1	376.394	0.442	40	0		GCABMN
CN1CCN(C(=O)C2=NC(=O)NC2)C[C@@H]1C(=O)NCCOc1cccc(F)c1	ZINC000257248126	209059363	/nfs/dbraw/zinc/05/93/63/209059363.db2.gz	JCFHKRZHEPJLJK-OAHLLOKOSA-N	0	1	391.403	0.206	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccn1	ZINC000257262098	209062271	/nfs/dbraw/zinc/06/22/71/209062271.db2.gz	LKAHFKNTUUWJEB-YRXWBPOGSA-N	0	1	389.427	0.824	40	0		GCABMN
O=C(CCNC(=O)c1cccnc1)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257263560	209063595	/nfs/dbraw/zinc/06/35/95/209063595.db2.gz	LQNXCYBCSUROOM-FQEVSTJZSA-N	0	1	390.484	0.277	40	0		GCABMN
O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cnc[nH]1	ZINC000257273629	209066059	/nfs/dbraw/zinc/06/60/59/209066059.db2.gz	NHMNICLIDBQSRR-YSHGAJCASA-N	0	1	386.452	0.546	40	0		GCABMN
O=S(=O)(c1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1	ZINC000224332369	136206827	/nfs/dbraw/zinc/20/68/27/136206827.db2.gz	HWHYUGJBOKKXPM-UHFFFAOYSA-N	0	1	389.481	0.824	40	0		GCABMN
COCCN1C[C@@H](C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)CC1=O	ZINC000257304862	209073452	/nfs/dbraw/zinc/07/34/52/209073452.db2.gz	SNLIINVLUSBECS-AWEZNQCLSA-N	0	1	391.472	0.312	40	0		GCABMN
Cc1ccccc1OCCNC(=O)[C@H]1CN(C(=O)C2=NC(=O)NC2)CCN1C	ZINC000257335677	209077855	/nfs/dbraw/zinc/07/78/55/209077855.db2.gz	YLJGSWMQSNZQQF-OAHLLOKOSA-N	0	1	387.440	0.375	40	0		GCABMN
Cc1ccccc1OCCNC(=O)[C@@H]1CN(C(=O)C2=NC(=O)NC2)CCN1C	ZINC000257335676	209078093	/nfs/dbraw/zinc/07/80/93/209078093.db2.gz	YLJGSWMQSNZQQF-HNNXBMFYSA-N	0	1	387.440	0.375	40	0		GCABMN
Cn1ccnc1CN[C@@H]1CCC[C@@H](C(=O)NC2CCOCC2)CC(=O)N(C)C1	ZINC000096113499	222382342	/nfs/dbraw/zinc/38/23/42/222382342.db2.gz	UGNNBSMXVCTTOZ-NVXWUHKLSA-N	0	1	391.516	0.822	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccncc3)[C@@H]2O)cc1	ZINC000077265438	560046446	/nfs/dbraw/zinc/04/64/46/560046446.db2.gz	MYAYVOWFHCUNGJ-KURKYZTESA-N	0	1	377.466	0.586	40	0	biogenic,in-vitro	GCABMN
O[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCOCC1	ZINC000585272943	570241570	/nfs/dbraw/zinc/24/15/70/570241570.db2.gz	NOSCZDKQDXXNIA-SFTDATJTSA-N	0	1	391.512	0.275	40	0		GCABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc[nH]c3=O)CC2)CC1	ZINC000257217660	570762077	/nfs/dbraw/zinc/76/20/77/570762077.db2.gz	CZZFQLRXJOUZBI-LJQANCHMSA-N	0	1	376.457	0.309	40	0		GCABMN
Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O	ZINC000257255297	570770985	/nfs/dbraw/zinc/77/09/85/570770985.db2.gz	KGYZJIMVVROHAI-GSEOLPGOSA-N	0	1	399.495	0.225	40	0		GCABMN
CN(CCc1ccccn1)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O	ZINC000020465851	575368389	/nfs/dbraw/zinc/36/83/89/575368389.db2.gz	KNURFGOORAKGPE-YDZRNGNQSA-N	0	1	377.485	0.352	40	0	biogenic,in-vitro	GCABMN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)c1	ZINC000575420486	530688416	/nfs/dbraw/zinc/68/84/16/530688416.db2.gz	CDWLMORBQWSNIH-OAHLLOKOSA-N	0	1	392.499	0.149	40	0		GCABMN
Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](C)CO)n1	ZINC000329004773	206241243	/nfs/dbraw/zinc/24/12/43/206241243.db2.gz	KTGNNSDUEIRVDD-LBPRGKRZSA-N	0	1	377.470	0.788	40	0		GCABMN
CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(NC)n2)CNCC3)C1	ZINC000019711494	207151769	/nfs/dbraw/zinc/15/17/69/207151769.db2.gz	NTDPVAXTKCVHRI-CYBMUJFWSA-N	0	1	382.534	0.930	40	0		GCABMN
COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(OC)CC1	ZINC000257203220	209055077	/nfs/dbraw/zinc/05/50/77/209055077.db2.gz	APCVDMSRNNNCKV-JYBIWHBTSA-N	0	1	378.469	0.809	40	0		GCABMN
O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CN(c2ccc(F)cc2)CCN1	ZINC000257220007	209057836	/nfs/dbraw/zinc/05/78/36/209057836.db2.gz	DJEJWKUCJODASZ-INIZCTEOSA-N	0	1	384.477	0.146	40	0		GCABMN
O=C([C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1	ZINC000008253947	221033174	/nfs/dbraw/zinc/03/31/74/221033174.db2.gz	IBQJQVFJCZATNU-ZACQAIPSSA-N	0	1	382.468	0.909	40	0	biogenic,in-vitro	GCABMN
O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1	ZINC000015675217	221339106	/nfs/dbraw/zinc/33/91/06/221339106.db2.gz	OYKFPMVMRNCYOA-KVPLUYHFSA-N	0	1	389.427	0.506	40	0	biogenic,in-vitro	GCABMN
Cc1cc(N(C)C)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1	ZINC000224139427	136206280	/nfs/dbraw/zinc/20/62/80/136206280.db2.gz	SPMKWPBSOZHSSG-UHFFFAOYSA-N	0	1	382.468	0.930	40	0		GCABMN
CC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)C[C@@H]1C(N)=O	ZINC000257332482	209077435	/nfs/dbraw/zinc/07/74/35/209077435.db2.gz	XXMGXVLQLQIFGM-LJQANCHMSA-N	0	1	386.496	0.486	40	0		GCABMN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O	ZINC000514288936	560033584	/nfs/dbraw/zinc/03/35/84/560033584.db2.gz	KHWMOPCIJRDEBM-LAVFITLUSA-N	0	1	384.498	0.512	40	0	biogenic,in-vitro	GCABMN
O=C(NC[C@H]1OC[C@@H](N(Cc2c[nH]cn2)Cc2cnc[nH]2)[C@@H]1O)c1ccccc1	ZINC000077263674	560046427	/nfs/dbraw/zinc/04/64/27/560046427.db2.gz	LNAADUNQEUGZDT-QRVBRYPASA-N	0	1	396.451	0.693	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(OC[C@@]2(O)COCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000585281868	570248344	/nfs/dbraw/zinc/24/83/44/570248344.db2.gz	DCMNHPCVPKYZDL-IBGZPJMESA-N	0	1	398.525	0.861	40	0		GCABMN
CCCOC1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585290260	570258124	/nfs/dbraw/zinc/25/81/24/570258124.db2.gz	PIEBHZKPJYEMPD-MOPGFXCFSA-N	0	1	398.525	0.674	40	0		GCABMN
CC(=O)N1C[C@@H]([NH2+][C@@H](Cc2cnc[nH]2)C(=O)[O-])C(c2ccc(N(C)C)cc2)=N1	ZINC000005631792	570272205	/nfs/dbraw/zinc/27/22/05/570272205.db2.gz	JWWXOYVUAOFRDC-DLBZAZTESA-N	0	1	384.440	0.696	40	0		GCABMN
COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4cnc[nH]4)C3)C2)c1	ZINC000604382257	570353421	/nfs/dbraw/zinc/35/34/21/570353421.db2.gz	LZPAUCFWMIRKFA-GOSISDBHSA-N	0	1	397.479	0.830	40	0	biogenic,in-vitro	GCABMN
CN(C)S(=O)(=O)N(C)CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1	ZINC000225960040	570636943	/nfs/dbraw/zinc/63/69/43/570636943.db2.gz	HGHNWMGYLFPIGR-UHFFFAOYSA-N	0	1	398.514	0.418	40	0		GCABMN
CN(C)C(=O)c1ccc(=O)n(C[C@H](O)CN2CCN(Cc3ccccc3)CC2)c1	ZINC000257250229	570770037	/nfs/dbraw/zinc/77/00/37/570770037.db2.gz	JLQXQLIMTIIFEJ-HXUWFJFHSA-N	0	1	398.507	0.729	40	0		GCABMN
Cc1cc(C)nc(-n2nc3[nH]c(CSc4nncn4C)cc(O)c-3c2=O)n1	ZINC000009926395	570777419	/nfs/dbraw/zinc/77/74/19/570777419.db2.gz	PGHPJDRQJVRQHD-UHFFFAOYSA-N	0	1	384.425	0.835	40	0		GCABMN
CCN1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)CC1	ZINC000257327655	570782512	/nfs/dbraw/zinc/78/25/12/570782512.db2.gz	XCFDTUIFCJLNHR-HKUYNNGSSA-N	0	1	388.512	0.795	40	0		GCABMN
OCCN1CCN(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1	ZINC000041689879	570899651	/nfs/dbraw/zinc/89/96/51/570899651.db2.gz	BBJNQLDCWJYPDQ-KGMASTOKSA-N	0	1	382.545	0.959	40	0		GCABMN
CC(C)[C@@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)N1CCOCC1	ZINC000019662557	571026481	/nfs/dbraw/zinc/02/64/81/571026481.db2.gz	KTTOOCAYTSHDIR-GOSISDBHSA-N	0	1	375.517	0.920	40	0		GCABMN
CC(C)[C@H](CNC(=O)c1ccnc(N2CCN(C)CC2)c1)N1CCOCC1	ZINC000019662559	571026586	/nfs/dbraw/zinc/02/65/86/571026586.db2.gz	KTTOOCAYTSHDIR-SFHVURJKSA-N	0	1	375.517	0.920	40	0		GCABMN
CN(CCc1ccccn1)[C@H]1[C@@H](CNC(=O)c2ccco2)O[C@@H](CO)[C@H]1O	ZINC000020465857	575368530	/nfs/dbraw/zinc/36/85/30/575368530.db2.gz	JVUISFWVZPXLJZ-VSZNYVQBSA-N	0	1	375.425	0.068	40	0	biogenic,in-vitro	GCABMN
Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)n3cnc4c3ncnc4N)[C@H](C)C2)n[nH]1	ZINC000616192608	1189717932	/nfs/dbraw/zinc/71/79/32/1189717932.db2.gz	MFFIQJGZRGZJLB-NEPJUHHUSA-N	0	1	397.443	0.374	40	0		GCABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1	ZINC000008298013	1197438928	/nfs/dbraw/zinc/43/89/28/1197438928.db2.gz	QXHDDMPYFPQNBI-BBWFWOEESA-N	0	1	391.516	0.903	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cnn(C)c4)C[C@H]32)cc1	ZINC000306145026	209107600	/nfs/dbraw/zinc/10/76/00/209107600.db2.gz	ZVJWSJSMZTWRQX-MSOLQXFVSA-N	0	1	392.463	0.724	40	0		GCABMN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1ccccc1	ZINC000010157548	221097971	/nfs/dbraw/zinc/09/79/71/221097971.db2.gz	QAHLLXMHQUEZSI-JKSUJKDBSA-N	0	1	394.435	0.615	40	0		GCABMN
CC(=O)N[C@]12CN(C(=O)c3nonc3N)[C@H](c3ccccc3)[C@H]1CCN(C)C2	ZINC000257316706	209073988	/nfs/dbraw/zinc/07/39/88/209073988.db2.gz	VGQNBAMUXDSOEZ-IDHHARJASA-N	0	1	384.440	0.676	40	0		GCABMN
O=C(CN1CCCC1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1	ZINC000072380554	222245337	/nfs/dbraw/zinc/24/53/37/222245337.db2.gz	IMVJTFDCIPBFFQ-OAHLLOKOSA-N	0	1	375.473	0.684	40	0		GCABMN
CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514290277	560030046	/nfs/dbraw/zinc/03/00/46/560030046.db2.gz	WBXCPZZCTCIIES-ZWKOTPCHSA-N	0	1	387.480	0.873	40	0	biogenic,in-vitro	GCABMN
CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514290277	560030047	/nfs/dbraw/zinc/03/00/47/560030047.db2.gz	WBXCPZZCTCIIES-ZWKOTPCHSA-N	0	1	387.480	0.873	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CCC(C)C)C3)C2=O)o1	ZINC000225397855	560043681	/nfs/dbraw/zinc/04/36/81/560043681.db2.gz	HMXBYJVMHCNLRP-WBVHZDCISA-N	0	1	375.469	0.993	40	0	biogenic,in-vitro	GCABMN
CN1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1	ZINC000585282943	570251000	/nfs/dbraw/zinc/25/10/00/570251000.db2.gz	KAZUFJYMILNVMQ-HKUYNNGSSA-N	0	1	381.904	0.454	40	0		GCABMN
CCc1cc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)on1	ZINC000585290396	570258154	/nfs/dbraw/zinc/25/81/54/570258154.db2.gz	QUNUWNRASPTJFX-SJORKVTESA-N	0	1	381.454	0.123	40	0		GCABMN
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[NH2+]1	ZINC000004899793	570416398	/nfs/dbraw/zinc/41/63/98/570416398.db2.gz	XQHGISDMVBTGAL-ULQDDVLXSA-N	0	1	399.451	0.001	40	0		GCABMN
CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCSc2nnc(C)[nH]2)c1	ZINC000223015826	570437530	/nfs/dbraw/zinc/43/75/30/570437530.db2.gz	KQUCDSNLZFJYKM-UHFFFAOYSA-N	0	1	399.498	0.942	40	0		GCABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1	ZINC000257202146	570760230	/nfs/dbraw/zinc/76/02/30/570760230.db2.gz	AKROBYLUKUOLEC-HXUWFJFHSA-N	0	1	391.516	0.477	40	0		GCABMN
O=C(CNC(=O)c1ccccc1)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257240895	570767890	/nfs/dbraw/zinc/76/78/90/570767890.db2.gz	HVPVEDZWBBJFKD-FQEVSTJZSA-N	0	1	375.469	0.492	40	0		GCABMN
CNC(=O)[C@@H]1CN(C(C)C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1	ZINC000257262001	570772021	/nfs/dbraw/zinc/77/20/21/570772021.db2.gz	LJQDPYYUVLTUGX-INIZCTEOSA-N	0	1	381.498	0.300	40	0		GCABMN
Cc1cc2ncc(C(=O)N3CCC[C@](O)(CN4CCOCC4)CC3)c(N)n2n1	ZINC000257289220	570776449	/nfs/dbraw/zinc/77/64/49/570776449.db2.gz	PXPNKPVRUMIJRX-LJQANCHMSA-N	0	1	388.472	0.309	40	0		GCABMN
CCCN(CCO)CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1	ZINC000010384004	570790157	/nfs/dbraw/zinc/79/01/57/570790157.db2.gz	XDICOHKOYBJNCQ-MRXNPFEDSA-N	0	1	376.457	0.047	40	0		GCABMN
CC(=O)N[C@]12CN(C)C[C@H]1CN(S(=O)(=O)c1cn(CC(C)C)nc1C)CC2	ZINC000019711683	570898635	/nfs/dbraw/zinc/89/86/35/570898635.db2.gz	BHIIGXMLNIZSNB-FUHWJXTLSA-N	0	1	397.545	0.678	40	0		GCABMN
COc1ccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1	ZINC000306125739	570936930	/nfs/dbraw/zinc/93/69/30/570936930.db2.gz	DAGGDVBCYBGGHU-NRFANRHFSA-N	0	1	398.463	0.999	40	0		GCABMN
COc1ccc(C)cc1S(=O)(=O)NCCN[C@]1(C)CCS(=O)(=O)C1	ZINC000575420995	530688171	/nfs/dbraw/zinc/68/81/71/530688171.db2.gz	HEZPAKMLTSLLCL-OAHLLOKOSA-N	0	1	376.500	0.449	40	0		GCABMN
Cn1c(=O)cc(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(C)c1=O	ZINC000019288725	207112372	/nfs/dbraw/zinc/11/23/72/207112372.db2.gz	HXCHYYOJUWKSEN-ZDUSSCGKSA-N	0	1	396.451	0.778	40	0		GCABMN
COc1ncccc1CN1CC[C@]2(CCn3c2nnc(-c2nccn2C)c3=O)C1	ZINC000306132822	209102124	/nfs/dbraw/zinc/10/21/24/209102124.db2.gz	LTEUIFLOLRUUBO-FQEVSTJZSA-N	0	1	393.451	0.990	40	0		GCABMN
Cn1cc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC(C)(C)C)CN3C)cn1	ZINC000306133096	209102082	/nfs/dbraw/zinc/10/20/82/209102082.db2.gz	MBRIRUCAJBDPKU-IBGZPJMESA-N	0	1	386.504	0.630	40	0		GCABMN
CN1CCN(C(=O)C2=NC(=O)NC2)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2	ZINC000257209799	209055319	/nfs/dbraw/zinc/05/53/19/209055319.db2.gz	BRXSAGOTXHTPLS-MRXNPFEDSA-N	0	1	399.451	0.513	40	0		GCABMN
O=C(CCNC(=O)c1cccnc1)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257263561	209063041	/nfs/dbraw/zinc/06/30/41/209063041.db2.gz	LQNXCYBCSUROOM-HXUWFJFHSA-N	0	1	390.484	0.277	40	0		GCABMN
CC(=O)N1CCC(NC2(Cc3cc(CN4CCOCC4)on3)COC2)CC1	ZINC000067898367	222167068	/nfs/dbraw/zinc/16/70/68/222167068.db2.gz	NMDRVARTZZPBAM-UHFFFAOYSA-N	0	1	378.473	0.419	40	0	biogenic,in-vitro	GCABMN
COC(=O)COCC(=O)N1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1	ZINC000096111979	222381238	/nfs/dbraw/zinc/38/12/38/222381238.db2.gz	KZBDWPAUZHULLC-RISCZKNCSA-N	0	1	383.351	0.957	40	0	biogenic,in-vitro	GCABMN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1	ZINC000225515093	560042243	/nfs/dbraw/zinc/04/22/43/560042243.db2.gz	IOXZUPWKIJMWNW-UUWMRLDISA-N	0	1	399.875	0.263	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(OC[C@@]2(O)CN(C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2O)cc1	ZINC000585283054	570251360	/nfs/dbraw/zinc/25/13/60/570251360.db2.gz	PAHOHBZTQFPIGY-OALUTQOASA-N	0	1	398.525	0.596	40	0		GCABMN
CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2cncn2C)CC1	ZINC000585294338	570263599	/nfs/dbraw/zinc/26/35/99/570263599.db2.gz	YYPDBSKJVGTJRE-UHFFFAOYSA-N	0	1	378.473	0.814	40	0		GCABMN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccccc1	ZINC000010157546	570566345	/nfs/dbraw/zinc/56/63/45/570566345.db2.gz	QAHLLXMHQUEZSI-HOTGVXAUSA-N	0	1	394.435	0.615	40	0		GCABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3ccc[nH]c3=O)CC2)CC1	ZINC000257217659	570762057	/nfs/dbraw/zinc/76/20/57/570762057.db2.gz	CZZFQLRXJOUZBI-IBGZPJMESA-N	0	1	376.457	0.309	40	0		GCABMN
Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC(C)C)nc2CO3)n1	ZINC000306129944	570938830	/nfs/dbraw/zinc/93/88/30/570938830.db2.gz	IRKQBPSVLJRZCF-HXUWFJFHSA-N	0	1	385.468	0.939	40	0		GCABMN
COc1ncccc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1	ZINC000306135265	570942222	/nfs/dbraw/zinc/94/22/22/570942222.db2.gz	OMBBUBWYYWGGGV-HZPDHXFCSA-N	0	1	383.452	0.838	40	0		GCABMN
Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](C)CO)n1	ZINC000329004772	212091657	/nfs/dbraw/zinc/09/16/57/212091657.db2.gz	KTGNNSDUEIRVDD-GFCCVEGCSA-N	0	1	377.470	0.788	40	0		GCABMN
O=C(c1cnc(N2CCOCC2)nc1)N1CCC(CCN2CCOCC2)CC1	ZINC000019657110	207145986	/nfs/dbraw/zinc/14/59/86/207145986.db2.gz	PSKYSUPGBSSHBO-UHFFFAOYSA-N	0	1	389.500	0.888	40	0		GCABMN
CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)cc21	ZINC000019663746	207146750	/nfs/dbraw/zinc/14/67/50/207146750.db2.gz	KWRORHAJLOABMN-CQSZACIVSA-N	0	1	394.497	0.535	40	0		GCABMN
CN(C)CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2	ZINC000096263485	208297556	/nfs/dbraw/zinc/29/75/56/208297556.db2.gz	SUABENZPSOSSAE-UHFFFAOYSA-N	0	1	381.498	0.870	40	0		GCABMN
COc1ncccc1CN1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1	ZINC000306135266	209103441	/nfs/dbraw/zinc/10/34/41/209103441.db2.gz	OMBBUBWYYWGGGV-JKSUJKDBSA-N	0	1	383.452	0.838	40	0		GCABMN
O=C(NC[C@@]1(O)COCCN(Cc2ccc3cc[nH]c3c2)C1)c1cnccn1	ZINC000257295285	209070325	/nfs/dbraw/zinc/07/03/25/209070325.db2.gz	QXRZBRZDCDVESJ-FQEVSTJZSA-N	0	1	381.436	0.951	40	0		GCABMN
O[C@@H]1[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccncc1	ZINC000020463854	136202643	/nfs/dbraw/zinc/20/26/43/136202643.db2.gz	YJLMSYOKCOUUIB-CSEOROSGSA-N	0	1	396.491	0.847	40	0	biogenic,in-vitro	GCABMN
O=C(c1ccn[nH]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2	ZINC000096146004	222390214	/nfs/dbraw/zinc/39/02/14/222390214.db2.gz	DMESWUMFQYBFNA-KMFMINBZSA-N	0	1	389.437	0.002	40	0		GCABMN
CC(=O)NCCC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290443	560029229	/nfs/dbraw/zinc/02/92/29/560029229.db2.gz	ZWUHPSPJDMTGCB-RBUKOAKNSA-N	0	1	386.496	0.045	40	0	biogenic,in-vitro	GCABMN
O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1	ZINC000514290176	560030294	/nfs/dbraw/zinc/03/02/94/560030294.db2.gz	UZFAMEZHPLDMBR-VQTJNVASSA-N	0	1	385.508	0.740	40	0	biogenic,in-vitro	GCABMN
COc1ncccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O	ZINC000225511217	560042379	/nfs/dbraw/zinc/04/23/79/560042379.db2.gz	VIUFRFNTEOUPDT-GRLWTPEZSA-N	0	1	379.457	0.380	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(OC[C@]2(O)COCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000585281869	570248464	/nfs/dbraw/zinc/24/84/64/570248464.db2.gz	DCMNHPCVPKYZDL-LJQANCHMSA-N	0	1	398.525	0.861	40	0		GCABMN
CC(C)N1CCN(C[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)CC1	ZINC000585284380	570253332	/nfs/dbraw/zinc/25/33/32/570253332.db2.gz	KOERNSUGYKWLOQ-RBUKOAKNSA-N	0	1	397.541	0.199	40	0		GCABMN
CCN(Cc1ccncc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291052	570259558	/nfs/dbraw/zinc/25/95/58/570259558.db2.gz	IQUUBFZFCXMGKA-MOPGFXCFSA-N	0	1	391.493	0.700	40	0		GCABMN
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2ncc(=S)[nH]c2=O)OC[C@@H]1OC(C)=O	ZINC000035242174	570431839	/nfs/dbraw/zinc/43/18/39/570431839.db2.gz	NZFFGFFXGOVKBU-SQNXGDPESA-N	0	1	387.370	0.037	40	0		GCABMN
CCOCCOc1ccc(CN2CC[C@@](O)(CNC(=O)COC)[C@H](O)C2)cc1	ZINC000257224384	570487902	/nfs/dbraw/zinc/48/79/02/570487902.db2.gz	FBOZBZQJLHPIGG-UYAOXDASSA-N	0	1	396.484	0.162	40	0		GCABMN
CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1	ZINC000010157537	570566274	/nfs/dbraw/zinc/56/62/74/570566274.db2.gz	OTBXWALYXXSIJE-CABCVRRESA-N	0	1	388.424	0.777	40	0		GCABMN
N[C@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1	ZINC000039988432	570741365	/nfs/dbraw/zinc/74/13/65/570741365.db2.gz	JFOABEUBSGGURR-IBGZPJMESA-N	0	1	396.484	0.612	40	0		GCABMN
O=C(CCCNc1ncccn1)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257222792	570763135	/nfs/dbraw/zinc/76/31/35/570763135.db2.gz	DUSBAAYIZIUQGW-IBGZPJMESA-N	0	1	377.489	0.745	40	0		GCABMN
Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1	ZINC000257241997	570768521	/nfs/dbraw/zinc/76/85/21/570768521.db2.gz	IAOWSLVGNOENTP-HXUWFJFHSA-N	0	1	393.484	0.328	40	0		GCABMN
CN1CCN(C(=O)C2=NC(=O)NC2)C[C@H]1C(=O)NCCOc1cccc(F)c1	ZINC000257248125	570770141	/nfs/dbraw/zinc/77/01/41/570770141.db2.gz	JCFHKRZHEPJLJK-HNNXBMFYSA-N	0	1	391.403	0.206	40	0		GCABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1	ZINC000257302135	570778472	/nfs/dbraw/zinc/77/84/72/570778472.db2.gz	SBQZODVXVWTCIB-HXUWFJFHSA-N	0	1	390.484	0.617	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccnc1	ZINC000257344483	570785070	/nfs/dbraw/zinc/78/50/70/570785070.db2.gz	ZXKSDKKKRBFOQD-YRXWBPOGSA-N	0	1	389.427	0.824	40	0		GCABMN
CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1	ZINC000585103559	570932122	/nfs/dbraw/zinc/93/21/22/570932122.db2.gz	XUUPTJUHYYJFLA-IEBWSBKVSA-N	0	1	395.525	0.813	40	0		GCABMN
COc1ncccc1CN1CC[C@@]2(CCn3c2nnc(-c2nccn2C)c3=O)C1	ZINC000306132823	570940454	/nfs/dbraw/zinc/94/04/54/570940454.db2.gz	LTEUIFLOLRUUBO-HXUWFJFHSA-N	0	1	393.451	0.990	40	0		GCABMN
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(CCO)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000020411560	570946043	/nfs/dbraw/zinc/94/60/43/570946043.db2.gz	HMSAIGOZLMKVAN-RUNBYEGESA-N	0	1	378.513	0.881	40	0		GCABMN
Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2CN(Cc4cnn(C)c4)C[C@@H]32)cc1	ZINC000306145027	570946917	/nfs/dbraw/zinc/94/69/17/570946917.db2.gz	ZVJWSJSMZTWRQX-QZTJIDSGSA-N	0	1	392.463	0.724	40	0		GCABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1	ZINC000008298011	570950572	/nfs/dbraw/zinc/95/05/72/570950572.db2.gz	QXHDDMPYFPQNBI-ZACQAIPSSA-N	0	1	391.516	0.903	40	0	biogenic,in-vitro	GCABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1	ZINC000008299749	1197441557	/nfs/dbraw/zinc/44/15/57/1197441557.db2.gz	IMSMXNAXBBPXRK-XHSDSOJGSA-N	0	1	377.489	0.513	40	0	biogenic,in-vitro	GCABMN
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1	ZINC000222888639	530502834	/nfs/dbraw/zinc/50/28/34/530502834.db2.gz	VRZHPHGZEAYXQI-UHFFFAOYSA-N	0	1	391.519	0.523	40	0		GCABMN
Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2CN(Cc4cnn(C)c4)C[C@H]32)cc1	ZINC000306145028	209108961	/nfs/dbraw/zinc/10/89/61/209108961.db2.gz	ZVJWSJSMZTWRQX-ROUUACIJSA-N	0	1	392.463	0.724	40	0		GCABMN
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@@]21c2ccccc2NC1=O	ZINC000016024734	207070224	/nfs/dbraw/zinc/07/02/24/207070224.db2.gz	HWFXDYWQMGAYIQ-JLKNWCKISA-N	0	1	384.436	0.471	40	0		GCABMN
Cn1c(=O)cc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(C)c1=O	ZINC000019288724	207112357	/nfs/dbraw/zinc/11/23/57/207112357.db2.gz	HXCHYYOJUWKSEN-CYBMUJFWSA-N	0	1	396.451	0.778	40	0		GCABMN
CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)cc21	ZINC000019663749	207147660	/nfs/dbraw/zinc/14/76/60/207147660.db2.gz	KWRORHAJLOABMN-AWEZNQCLSA-N	0	1	394.497	0.535	40	0		GCABMN
Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2ccn[nH]2)C3)n1	ZINC000306137986	209104850	/nfs/dbraw/zinc/10/48/50/209104850.db2.gz	RLTGFOXFNXGAHX-LBPRGKRZSA-N	0	1	377.426	0.216	40	0		GCABMN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O1	ZINC000225515387	208956441	/nfs/dbraw/zinc/95/64/41/208956441.db2.gz	LXPCFNBDTXSNCY-ZLJHSHKTSA-N	0	1	398.887	0.868	40	0	biogenic,in-vitro	GCABMN
OCCN1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1	ZINC000041689882	209096183	/nfs/dbraw/zinc/09/61/83/209096183.db2.gz	BBJNQLDCWJYPDQ-DIGXMAGLSA-N	0	1	382.545	0.959	40	0		GCABMN
CCOC(=O)N1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1	ZINC000010157539	221098188	/nfs/dbraw/zinc/09/81/88/221098188.db2.gz	OTBXWALYXXSIJE-HUUCEWRRSA-N	0	1	388.424	0.777	40	0		GCABMN
O=C(NC[C@]1(O)COCCN(Cc2ccc3cc[nH]c3c2)C1)c1cnccn1	ZINC000257295286	209071249	/nfs/dbraw/zinc/07/12/49/209071249.db2.gz	QXRZBRZDCDVESJ-HXUWFJFHSA-N	0	1	381.436	0.951	40	0		GCABMN
O=C(CN1CCCC1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1	ZINC000072380555	222244296	/nfs/dbraw/zinc/24/42/96/222244296.db2.gz	IMVJTFDCIPBFFQ-HNNXBMFYSA-N	0	1	375.473	0.684	40	0		GCABMN
O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1	ZINC000514290178	560030182	/nfs/dbraw/zinc/03/01/82/560030182.db2.gz	UZFAMEZHPLDMBR-WOJBJXKFSA-N	0	1	385.508	0.740	40	0	biogenic,in-vitro	GCABMN
CS(=O)(=O)c1ccc(CN[C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1	ZINC000514289055	560033618	/nfs/dbraw/zinc/03/36/18/560033618.db2.gz	PJFPULCOMXEWPW-HRCADAONSA-N	0	1	390.452	0.649	40	0	biogenic,in-vitro	GCABMN
O=C1CCCN1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000585270603	570239370	/nfs/dbraw/zinc/23/93/70/570239370.db2.gz	NHKVLAJDCPZJCW-PMACEKPBSA-N	0	1	389.496	0.565	40	0		GCABMN
O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000585270603	570239373	/nfs/dbraw/zinc/23/93/73/570239373.db2.gz	NHKVLAJDCPZJCW-PMACEKPBSA-N	0	1	389.496	0.565	40	0		GCABMN
COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCOCC1	ZINC000113939748	570334933	/nfs/dbraw/zinc/33/49/33/570334933.db2.gz	LVYDDWMFDWZIPW-UHFFFAOYSA-N	0	1	397.497	0.540	40	0		GCABMN
O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3cnccc3Cl)[C@@H](O)[C@H]2O1)NC1CC1	ZINC000604381856	570352615	/nfs/dbraw/zinc/35/26/15/570352615.db2.gz	RPOUUDRMATWMJF-UUWMRLDISA-N	0	1	381.860	0.779	40	0	biogenic,in-vitro	GCABMN
CC(=O)O[C@@H]1CO[C@@H](n2ncc(=S)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000035242176	570431804	/nfs/dbraw/zinc/43/18/04/570431804.db2.gz	NZFFGFFXGOVKBU-OJAKKHQRSA-N	0	1	387.370	0.037	40	0		GCABMN
O=c1[nH]c(=O)c2cc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@@H]3CCO)ccc2[nH]1	ZINC000257255721	570771040	/nfs/dbraw/zinc/77/10/40/570771040.db2.gz	KIPHIYDSGLRYDV-RYUDHWBXSA-N	0	1	394.453	0.261	40	0		GCABMN
COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC(=O)N(C)C)C[C@@H]21	ZINC000585109551	570938016	/nfs/dbraw/zinc/93/80/16/570938016.db2.gz	BGPJVLICLPSCGB-ABSDTBQOSA-N	0	1	375.469	0.624	40	0		GCABMN
CN(CCc1ccccn1)[C@H]1[C@@H](CNC(=O)c2ccccc2)O[C@@H](CO)[C@H]1O	ZINC000020465860	575368565	/nfs/dbraw/zinc/36/85/65/575368565.db2.gz	PDIRINRZFPENPZ-FUMNGEBKSA-N	0	1	385.464	0.475	40	0	biogenic,in-vitro	GCABMN
CN(C)CC(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1	ZINC001772595345	1187053248	/nfs/dbraw/zinc/05/32/48/1187053248.db2.gz	OPEMDYDXGPFDER-GOSISDBHSA-N	0	1	386.496	0.610	40	0		GCABMN
O=C([O-])[C@@H](C1CC1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000566358204	1187772307	/nfs/dbraw/zinc/77/23/07/1187772307.db2.gz	SZTBOCKGIGZDGJ-MRXNPFEDSA-N	0	1	382.438	0.627	40	0		GCABMN
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000057611378	530495910	/nfs/dbraw/zinc/49/59/10/530495910.db2.gz	IJKPKZGMVXHRDM-CQSZACIVSA-N	0	1	385.511	0.596	40	0		GCABMN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O	ZINC000514289028	531082710	/nfs/dbraw/zinc/08/27/10/531082710.db2.gz	OLRPGJZGZMZIGH-UQOMUDLDSA-N	0	1	376.500	0.266	40	0	biogenic,in-vitro	GCABMN
O=C([C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1)N1CCOCC1	ZINC000008299858	291102876	/nfs/dbraw/zinc/10/28/76/291102876.db2.gz	LAZWYZSFYZRHSF-ZACQAIPSSA-N	0	1	389.500	0.609	40	0	biogenic,in-vitro	GCABMN
C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CCN21	ZINC000253399772	212136046	/nfs/dbraw/zinc/13/60/46/212136046.db2.gz	JXIKPIWZQGJEJG-CTNGQTDRSA-N	0	1	388.512	0.692	40	0	biogenic,in-vitro	GCABMN
CC(C)[C@@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(C(F)(F)F)n1	ZINC000328994515	212092142	/nfs/dbraw/zinc/09/21/42/212092142.db2.gz	JFEBZQVQNMABRT-CYBMUJFWSA-N	0	1	390.454	0.427	40	0		GCABMN
NC(=O)CN1CCC[C@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1	ZINC000019663743	207147596	/nfs/dbraw/zinc/14/75/96/207147596.db2.gz	XPAJNHODUYEDRF-AWEZNQCLSA-N	0	1	394.497	0.752	40	0		GCABMN
CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1	ZINC000096145919	208273671	/nfs/dbraw/zinc/27/36/71/208273671.db2.gz	CFKNQQICEVBCRH-GJZGRUSLSA-N	0	1	396.513	0.804	40	0		GCABMN
CC(=O)N1CC[C@@H](c2nn(CCNC(=O)CN3CCCC3)c3ncccc23)C1	ZINC000019016539	221393648	/nfs/dbraw/zinc/39/36/48/221393648.db2.gz	QSXHCWZUQGSSEK-MRXNPFEDSA-N	0	1	384.484	0.979	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cocn1	ZINC000257327239	209076109	/nfs/dbraw/zinc/07/61/09/209076109.db2.gz	XAPDOMUETCALNN-SIXLDLHFSA-N	0	1	379.388	0.417	40	0		GCABMN
Cc1noc(C)c1S(=O)(=O)N1CCNC[C@@H](Cc2cc(N(C)C)ncn2)C1	ZINC000072355220	222238721	/nfs/dbraw/zinc/23/87/21/222238721.db2.gz	FAGYLRMLQKLVGD-CQSZACIVSA-N	0	1	394.501	0.600	40	0		GCABMN
CC(=O)NCCC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514290444	560029288	/nfs/dbraw/zinc/02/92/88/560029288.db2.gz	ZWUHPSPJDMTGCB-RTBURBONSA-N	0	1	386.496	0.045	40	0	biogenic,in-vitro	GCABMN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3OC)[C@@H](O)[C@H]2O1	ZINC000225515444	560042177	/nfs/dbraw/zinc/04/21/77/560042177.db2.gz	UQOXTQIWESHOLS-UZKILMIQSA-N	0	1	394.468	0.223	40	0	biogenic,in-vitro	GCABMN
COc1ccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1	ZINC000077264637	560046423	/nfs/dbraw/zinc/04/64/23/560046423.db2.gz	PNRPQLSHTIYAOZ-QRVBRYPASA-N	0	1	392.477	0.892	40	0	biogenic,in-vitro	GCABMN
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)cc1	ZINC000030879783	560090066	/nfs/dbraw/zinc/09/00/66/560090066.db2.gz	BXROCECJPOFTLR-YDZRNGNQSA-N	0	1	398.525	0.494	40	0	biogenic,in-vitro	GCABMN
Cn1c2c(nc1C(=O)N1CCCN(C)CC1)CN(C(=O)c1ccccn1)CC2	ZINC000096264865	570226934	/nfs/dbraw/zinc/22/69/34/570226934.db2.gz	ZBTFZVACVYTYCX-UHFFFAOYSA-N	0	1	382.468	0.791	40	0		GCABMN
CC(=O)NC[C@]1(O)CCN(Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O	ZINC000585270031	570238590	/nfs/dbraw/zinc/23/85/90/570238590.db2.gz	CCJUQBBAEWKIFD-WOJBJXKFSA-N	0	1	388.468	0.396	40	0		GCABMN
CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)CC1	ZINC000585281486	570247505	/nfs/dbraw/zinc/24/75/05/570247505.db2.gz	JWTFCURLCYFXOX-NRFANRHFSA-N	0	1	389.496	0.972	40	0		GCABMN
CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)CC1	ZINC000585281487	570247530	/nfs/dbraw/zinc/24/75/30/570247530.db2.gz	JWTFCURLCYFXOX-OAQYLSRUSA-N	0	1	389.496	0.972	40	0		GCABMN
O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccn2)C1	ZINC000585286283	570255678	/nfs/dbraw/zinc/25/56/78/570255678.db2.gz	YKSOSAJMFWDLKF-ZWKOTPCHSA-N	0	1	377.466	0.358	40	0		GCABMN
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCC(Cc2ccccc2)CC1	ZINC000020800256	570281340	/nfs/dbraw/zinc/28/13/40/570281340.db2.gz	ULXBASMPUGCQQT-GOSISDBHSA-N	0	1	387.480	0.831	40	0		GCABMN
COc1ncccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O	ZINC000604381659	570352758	/nfs/dbraw/zinc/35/27/58/570352758.db2.gz	JRXQDJKLIFHKMM-GRLWTPEZSA-N	0	1	377.441	0.134	40	0	biogenic,in-vitro	GCABMN
CN1CCN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1	ZINC000225087814	570547825	/nfs/dbraw/zinc/54/78/25/570547825.db2.gz	DZBVDPFHSQQBJV-UHFFFAOYSA-N	0	1	394.497	0.256	40	0		GCABMN
Cc1nc(C)c(CC(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)c(=O)[nH]1	ZINC000257211295	570761738	/nfs/dbraw/zinc/76/17/38/570761738.db2.gz	BYJNDYDAPTVWJD-LJQANCHMSA-N	0	1	378.473	0.417	40	0		GCABMN
CC(=O)Nc1cc(C(=O)N2CCC[C@@](O)(CN3CCOCC3)CC2)ccn1	ZINC000257227082	570764007	/nfs/dbraw/zinc/76/40/07/570764007.db2.gz	FNNQOZYVTCXWND-IBGZPJMESA-N	0	1	376.457	0.729	40	0		GCABMN
O=C(CN1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O)N1CCOCC1	ZINC000257226621	570764129	/nfs/dbraw/zinc/76/41/29/570764129.db2.gz	FLJQJISPXURIFO-MJGOQNOKSA-N	0	1	387.480	0.550	40	0		GCABMN
CC(=O)Nc1cc(C(=O)N2CCC[C@](O)(CN3CCOCC3)CC2)ccn1	ZINC000257227083	570764222	/nfs/dbraw/zinc/76/42/22/570764222.db2.gz	FNNQOZYVTCXWND-LJQANCHMSA-N	0	1	376.457	0.729	40	0		GCABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccnn1C	ZINC000257235402	570766679	/nfs/dbraw/zinc/76/66/79/570766679.db2.gz	GXROPRFSIYVCRB-BGTYHANMSA-N	0	1	392.431	0.163	40	0		GCABMN
Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1	ZINC000257241996	570768503	/nfs/dbraw/zinc/76/85/03/570768503.db2.gz	IAOWSLVGNOENTP-FQEVSTJZSA-N	0	1	393.484	0.328	40	0		GCABMN
COc1ccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1	ZINC000306125740	570936734	/nfs/dbraw/zinc/93/67/34/570936734.db2.gz	DAGGDVBCYBGGHU-OAQYLSRUSA-N	0	1	398.463	0.999	40	0		GCABMN
Cn1cc(CN2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1	ZINC000306131530	570939929	/nfs/dbraw/zinc/93/99/29/570939929.db2.gz	KHZORKBLXLQVRV-NRFANRHFSA-N	0	1	392.463	0.635	40	0		GCABMN
C/C=C/C1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1	ZINC000003830461	1187964341	/nfs/dbraw/zinc/96/43/41/1187964341.db2.gz	WDLWHQDACQUCJR-VTHQOVDZSA-N	0	1	389.433	0.707	40	0		GCABMN
O=C([C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1	ZINC000008253945	1197302538	/nfs/dbraw/zinc/30/25/38/1197302538.db2.gz	IBQJQVFJCZATNU-BBWFWOEESA-N	0	1	382.468	0.909	40	0	biogenic,in-vitro	GCABMN