smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21	ZINC000008972077	556237526	/nfs/dbraw/zinc/23/75/26/556237526.db2.gz	SKXPXFPKMWAWBT-LPKYLRCGSA-N	1	1	432.864	0.115	40	0		ICABMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1	ZINC000009289121	556273431	/nfs/dbraw/zinc/27/34/31/556273431.db2.gz	CEUKNIIYXDBSGC-AEFFLSMTSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1	ZINC000009289121	556273427	/nfs/dbraw/zinc/27/34/27/556273427.db2.gz	CEUKNIIYXDBSGC-AEFFLSMTSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1	ZINC000009289123	557183272	/nfs/dbraw/zinc/18/32/72/557183272.db2.gz	CEUKNIIYXDBSGC-WMZOPIPTSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)C1	ZINC000009289123	557183269	/nfs/dbraw/zinc/18/32/69/557183269.db2.gz	CEUKNIIYXDBSGC-WMZOPIPTSA-N	1	1	430.505	0.617	40	0		ICABMO
CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](c3ccc(OC)c(OC)c3)NS(=O)(=O)N2C)CC1	ZINC000012129948	521668935	/nfs/dbraw/zinc/66/89/35/521668935.db2.gz	GWNXMRJDTDYHGE-JKSUJKDBSA-N	1	1	426.539	0.448	40	0		ICABMO
C[NH+]1CCN(c2nccc(CN3CCC[C@@H](c4nnsc4S(C)(=O)=O)C3)n2)CC1	ZINC000012251675	523929632	/nfs/dbraw/zinc/92/96/32/523929632.db2.gz	IYCCLHGZHIRUKC-CQSZACIVSA-N	1	1	437.595	0.863	40	0		ICABMO
C[NH+]1CCN(c2nccc(CN3CCC[C@H](c4nnsc4S(C)(=O)=O)C3)n2)CC1	ZINC000012251677	523929588	/nfs/dbraw/zinc/92/95/88/523929588.db2.gz	IYCCLHGZHIRUKC-AWEZNQCLSA-N	1	1	437.595	0.863	40	0		ICABMO
NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C[NH2+][C@@H]2CCS(=O)(=O)C2)CC1	ZINC000012254697	527035493	/nfs/dbraw/zinc/03/54/93/527035493.db2.gz	YKBXHOSREIQQCT-MRXNPFEDSA-N	1	1	448.520	0.956	40	0		ICABMO
NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C[NH2+][C@H]2CCS(=O)(=O)C2)CC1	ZINC000012254700	527035469	/nfs/dbraw/zinc/03/54/69/527035469.db2.gz	YKBXHOSREIQQCT-INIZCTEOSA-N	1	1	448.520	0.956	40	0		ICABMO
Cn1c2nc(N3CC[NH+](CCO)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000013452665	557321699	/nfs/dbraw/zinc/32/16/99/557321699.db2.gz	QKKFZRQVXYFRPP-UHFFFAOYSA-N	1	1	432.912	0.250	40	0		ICABMO
CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1	ZINC000013566683	556519761	/nfs/dbraw/zinc/51/97/61/556519761.db2.gz	TZNWGQIRKSZVHJ-UHFFFAOYSA-N	1	1	431.942	0.904	40	0		ICABMO
COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1	ZINC000014291901	556412010	/nfs/dbraw/zinc/41/20/10/556412010.db2.gz	LSHADDMSVOYIPP-UHFFFAOYSA-N	1	1	427.523	0.168	40	0		ICABMO
CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000014397680	557435786	/nfs/dbraw/zinc/43/57/86/557435786.db2.gz	AJTJFSVYOHWPBU-UHFFFAOYSA-N	1	1	427.523	0.452	40	0		ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)C[N@H+]21)N1CCc2ccccc21	ZINC000015707607	560096713	/nfs/dbraw/zinc/09/67/13/560096713.db2.gz	BXIDXIZORZVHMH-SCTDSRPQSA-N	1	1	427.574	0.924	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)C[N@@H+]21)N1CCc2ccccc21	ZINC000015707607	560096712	/nfs/dbraw/zinc/09/67/12/560096712.db2.gz	BXIDXIZORZVHMH-SCTDSRPQSA-N	1	1	427.574	0.924	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@@H+]2C1	ZINC000015707610	560096731	/nfs/dbraw/zinc/09/67/31/560096731.db2.gz	IWTLJQTUHWPURH-SCTDSRPQSA-N	1	1	445.589	0.408	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@H+]2C1	ZINC000015707610	560096730	/nfs/dbraw/zinc/09/67/30/560096730.db2.gz	IWTLJQTUHWPURH-SCTDSRPQSA-N	1	1	445.589	0.408	40	0	biogenic,in-vitro	ICABMO
COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=O)NC(C)C)C[N@H+]32)cc1	ZINC000015707741	560096526	/nfs/dbraw/zinc/09/65/26/560096526.db2.gz	LTHPPKCJRYGNCC-SCTDSRPQSA-N	1	1	431.537	0.741	40	0	biogenic,in-vitro	ICABMO
COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=O)NC(C)C)C[N@@H+]32)cc1	ZINC000015707741	560096525	/nfs/dbraw/zinc/09/65/25/560096525.db2.gz	LTHPPKCJRYGNCC-SCTDSRPQSA-N	1	1	431.537	0.741	40	0	biogenic,in-vitro	ICABMO
COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)NC4CC4)C[N@H+]32)cc1	ZINC000015707747	560096499	/nfs/dbraw/zinc/09/64/99/560096499.db2.gz	TYEDFAXAMQPCFR-SCTDSRPQSA-N	1	1	445.589	0.659	40	0	biogenic,in-vitro	ICABMO
COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)NC4CC4)C[N@@H+]32)cc1	ZINC000015707747	560096498	/nfs/dbraw/zinc/09/64/98/560096498.db2.gz	TYEDFAXAMQPCFR-SCTDSRPQSA-N	1	1	445.589	0.659	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NCc3ccccc3)[N@@H+]2C1	ZINC000015707820	560096606	/nfs/dbraw/zinc/09/66/06/560096606.db2.gz	MUPRXGPJVVTQOH-KSZLIROESA-N	1	1	433.578	0.135	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NCc3ccccc3)[N@H+]2C1	ZINC000015707820	560096605	/nfs/dbraw/zinc/09/66/05/560096605.db2.gz	MUPRXGPJVVTQOH-KSZLIROESA-N	1	1	433.578	0.135	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)C[N@H+]21)N1CCN(c2ccccc2)CC1	ZINC000015707870	560096480	/nfs/dbraw/zinc/09/64/80/560096480.db2.gz	IAFQYDNRZHPPIJ-TYPHKJRUSA-N	1	1	439.560	0.583	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)C[N@@H+]21)N1CCN(c2ccccc2)CC1	ZINC000015707870	560096479	/nfs/dbraw/zinc/09/64/79/560096479.db2.gz	IAFQYDNRZHPPIJ-TYPHKJRUSA-N	1	1	439.560	0.583	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NCc3cccs3)[N@@H+]2C1	ZINC000015708016	560096590	/nfs/dbraw/zinc/09/65/90/560096590.db2.gz	WQMYLDBFKUVSQI-LZWOXQAQSA-N	1	1	439.607	0.196	40	0	biogenic,in-vitro	ICABMO
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NCc3cccs3)[N@H+]2C1	ZINC000015708016	560096589	/nfs/dbraw/zinc/09/65/89/560096589.db2.gz	WQMYLDBFKUVSQI-LZWOXQAQSA-N	1	1	439.607	0.196	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21)N1CCOCC1	ZINC000015708273	560096477	/nfs/dbraw/zinc/09/64/77/560096477.db2.gz	IVXUYBIISAUXGM-KSZLIROESA-N	1	1	431.562	0.553	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)N1CCOCC1	ZINC000015708273	560096476	/nfs/dbraw/zinc/09/64/76/560096476.db2.gz	IVXUYBIISAUXGM-KSZLIROESA-N	1	1	431.562	0.553	40	0	biogenic,in-vitro	ICABMO
COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NC4CC4)[N@@H+]3C2)cc1	ZINC000015708351	560096490	/nfs/dbraw/zinc/09/64/90/560096490.db2.gz	AKJMNUQHYQKSGA-JZXOWHBKSA-N	1	1	431.562	0.982	40	0	biogenic,in-vitro	ICABMO
COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NC4CC4)[N@H+]3C2)cc1	ZINC000015708351	560096489	/nfs/dbraw/zinc/09/64/89/560096489.db2.gz	AKJMNUQHYQKSGA-JZXOWHBKSA-N	1	1	431.562	0.982	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCc3ccco3)C[N@H+]21)N1CCCCC1	ZINC000015708548	560096573	/nfs/dbraw/zinc/09/65/73/560096573.db2.gz	ZLVVTFXRCHWMTD-JZXOWHBKSA-N	1	1	433.578	0.978	40	0	biogenic,in-vitro	ICABMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCc3ccco3)C[N@@H+]21)N1CCCCC1	ZINC000015708548	560096571	/nfs/dbraw/zinc/09/65/71/560096571.db2.gz	ZLVVTFXRCHWMTD-JZXOWHBKSA-N	1	1	433.578	0.978	40	0	biogenic,in-vitro	ICABMO
C[NH+]1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=O)c4cccc(F)c4)CN32)CC1	ZINC000015708585	560096577	/nfs/dbraw/zinc/09/65/77/560096577.db2.gz	ACYDNCPAVPSFNK-OTWHNJEPSA-N	1	1	431.512	0.051	40	0	biogenic,in-vitro	ICABMO
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=O)Nc4ccccc4)C[N@H+]32)CC1	ZINC000015708602	560096431	/nfs/dbraw/zinc/09/64/31/560096431.db2.gz	VTGHVJKAEJQFNY-OTWHNJEPSA-N	1	1	428.537	0.304	40	0	biogenic,in-vitro	ICABMO
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=O)Nc4ccccc4)C[N@@H+]32)CC1	ZINC000015708602	560096429	/nfs/dbraw/zinc/09/64/29/560096429.db2.gz	VTGHVJKAEJQFNY-OTWHNJEPSA-N	1	1	428.537	0.304	40	0	biogenic,in-vitro	ICABMO
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)Nc4ccccc4)C[N@H+]32)CC1	ZINC000015708614	560096342	/nfs/dbraw/zinc/09/63/42/560096342.db2.gz	HIILXBFFJQCXBQ-OTWHNJEPSA-N	1	1	444.605	0.469	40	0	biogenic,in-vitro	ICABMO
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)Nc4ccccc4)C[N@@H+]32)CC1	ZINC000015708614	560096341	/nfs/dbraw/zinc/09/63/41/560096341.db2.gz	HIILXBFFJQCXBQ-OTWHNJEPSA-N	1	1	444.605	0.469	40	0	biogenic,in-vitro	ICABMO
O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCC(O)CC3)[N@@H+]2C1	ZINC000015708731	560096380	/nfs/dbraw/zinc/09/63/80/560096380.db2.gz	PDCUIXYXAANYHA-UXLLHSPISA-N	1	1	435.550	0.574	40	0	biogenic,in-vitro	ICABMO
O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCC(O)CC3)[N@H+]2C1	ZINC000015708731	560096378	/nfs/dbraw/zinc/09/63/78/560096378.db2.gz	PDCUIXYXAANYHA-UXLLHSPISA-N	1	1	435.550	0.574	40	0	biogenic,in-vitro	ICABMO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000016024685	568864167	/nfs/dbraw/zinc/86/41/67/568864167.db2.gz	SYBQALHEBYPZNF-PENAAAJCSA-N	1	1	438.278	0.197	40	0		ICABMO
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(Br)ccc2NC1=O	ZINC000016025098	517758115	/nfs/dbraw/zinc/75/81/15/517758115.db2.gz	AKGKVHNQYDQQTE-MDFYPZETSA-N	1	1	449.305	0.843	40	0		ICABMO
NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000016033269	557469034	/nfs/dbraw/zinc/46/90/34/557469034.db2.gz	SKXPXFPKMWAWBT-LRUTXQPQSA-N	1	1	432.864	0.115	40	0		ICABMO
CN1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000016189081	556588503	/nfs/dbraw/zinc/58/85/03/556588503.db2.gz	NWIUBXVTVRFVGO-UHFFFAOYSA-N	1	1	430.578	0.676	40	0		ICABMO
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC[NH+]1CCOCC1	ZINC000017171340	556671421	/nfs/dbraw/zinc/67/14/21/556671421.db2.gz	JELJMWJEMDYABO-UHFFFAOYSA-N	1	1	425.551	0.479	40	0		ICABMO
CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[NH2+][C@@H]3CCS(=O)(=O)C3)C2)C1	ZINC000019019707	556693002	/nfs/dbraw/zinc/69/30/02/556693002.db2.gz	XMMPYLMXSGVVPB-WIYYLYMNSA-N	1	1	435.546	0.565	40	0		ICABMO
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[NH2+][C@@H]3CCS(=O)(=O)C3)C2)C1	ZINC000019019710	556693036	/nfs/dbraw/zinc/69/30/36/556693036.db2.gz	XMMPYLMXSGVVPB-NQIIRXRSSA-N	1	1	435.546	0.565	40	0		ICABMO
CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[NH2+][C@H]3CCS(=O)(=O)C3)C2)C1	ZINC000019019713	556693369	/nfs/dbraw/zinc/69/33/69/556693369.db2.gz	XMMPYLMXSGVVPB-GHTZIAJQSA-N	1	1	435.546	0.565	40	0		ICABMO
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[NH2+][C@H]3CCS(=O)(=O)C3)C2)C1	ZINC000019019716	556693413	/nfs/dbraw/zinc/69/34/13/556693413.db2.gz	XMMPYLMXSGVVPB-RXVVDRJESA-N	1	1	435.546	0.565	40	0		ICABMO
COCC[NH+]1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cc(C)ccc2O3)CC1	ZINC000019218776	556713386	/nfs/dbraw/zinc/71/33/86/556713386.db2.gz	DGSXSJLECRUEGX-QHCPKHFHSA-N	1	1	444.532	0.617	40	0		ICABMO
COCC[NH+]1CCN(C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cc(C)ccc2O3)CC1	ZINC000019218779	556713445	/nfs/dbraw/zinc/71/34/45/556713445.db2.gz	DGSXSJLECRUEGX-HSZRJFAPSA-N	1	1	444.532	0.617	40	0		ICABMO
Cc1ccc2cc(C)c3nn(CCNC(=O)C[NH2+][C@@H]4CCS(=O)(=O)C4)c(=O)n3c2c1	ZINC000019234283	556718074	/nfs/dbraw/zinc/71/80/74/556718074.db2.gz	FSYXRUYJQYFMQF-MRXNPFEDSA-N	1	1	431.518	0.159	40	0		ICABMO
Cc1ccc2cc(C)c3nn(CCNC(=O)C[NH2+][C@H]4CCS(=O)(=O)C4)c(=O)n3c2c1	ZINC000019234284	556718032	/nfs/dbraw/zinc/71/80/32/556718032.db2.gz	FSYXRUYJQYFMQF-INIZCTEOSA-N	1	1	431.518	0.159	40	0		ICABMO
CC(C)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1	ZINC000019445523	556756000	/nfs/dbraw/zinc/75/60/00/556756000.db2.gz	PHAUEHVEWDKQLD-LJQANCHMSA-N	1	1	426.521	0.826	40	0		ICABMO
CC(C)[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1	ZINC000019445525	556755933	/nfs/dbraw/zinc/75/59/33/556755933.db2.gz	PHAUEHVEWDKQLD-IBGZPJMESA-N	1	1	426.521	0.826	40	0		ICABMO
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@@H]3CO)[C@]12C	ZINC000019450045	556760813	/nfs/dbraw/zinc/76/08/13/556760813.db2.gz	OQICFPXIDQDHEZ-KBHIOQAXSA-N	1	1	441.532	0.693	40	0		ICABMO
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@@H+]3CCC[C@@H]3CO)[C@]12C	ZINC000019450045	556760809	/nfs/dbraw/zinc/76/08/09/556760809.db2.gz	OQICFPXIDQDHEZ-KBHIOQAXSA-N	1	1	441.532	0.693	40	0		ICABMO
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@H]3CO)[C@]12C	ZINC000019450047	556761040	/nfs/dbraw/zinc/76/10/40/556761040.db2.gz	OQICFPXIDQDHEZ-GFBHRSBTSA-N	1	1	441.532	0.693	40	0		ICABMO
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@@H+]3CCC[C@H]3CO)[C@]12C	ZINC000019450047	556761036	/nfs/dbraw/zinc/76/10/36/556761036.db2.gz	OQICFPXIDQDHEZ-GFBHRSBTSA-N	1	1	441.532	0.693	40	0		ICABMO
CC(C)NC(=O)[C@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1	ZINC000019450160	556760918	/nfs/dbraw/zinc/76/09/18/556760918.db2.gz	YUTDQSRDTGJCPZ-OALUTQOASA-N	1	1	444.580	0.866	40	0		ICABMO
CC(C)NC(=O)[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1c1ccnc(N2CCOCC2)n1	ZINC000019450160	556760916	/nfs/dbraw/zinc/76/09/16/556760916.db2.gz	YUTDQSRDTGJCPZ-OALUTQOASA-N	1	1	444.580	0.866	40	0		ICABMO
C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2NC1=O	ZINC000019462234	556767873	/nfs/dbraw/zinc/76/78/73/556767873.db2.gz	CYGFGEMKVCGBNN-AWEZNQCLSA-N	1	1	436.534	0.901	40	0		ICABMO
C[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2NC1=O	ZINC000019462236	556767910	/nfs/dbraw/zinc/76/79/10/556767910.db2.gz	CYGFGEMKVCGBNN-CQSZACIVSA-N	1	1	436.534	0.901	40	0		ICABMO
CCOCC[NH+]1CCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1	ZINC000019531070	556791541	/nfs/dbraw/zinc/79/15/41/556791541.db2.gz	KDBWCRPJIOLKTM-LJQANCHMSA-N	1	1	431.581	0.940	40	0		ICABMO
CCOCC[NH+]1CCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1	ZINC000019531072	556791568	/nfs/dbraw/zinc/79/15/68/556791568.db2.gz	KDBWCRPJIOLKTM-IBGZPJMESA-N	1	1	431.581	0.940	40	0		ICABMO
COc1cccc([C@@H]2CN(C(=O)CN3CC[NH+](CCO)CC3)C[C@H]2c2csnn2)c1	ZINC000019566059	556806608	/nfs/dbraw/zinc/80/66/08/556806608.db2.gz	PKQCUNQPFSQQGS-RBUKOAKNSA-N	1	1	431.562	0.866	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](C4CCOCC4)C3)[nH]c(=O)c2C1	ZINC000019583759	556821418	/nfs/dbraw/zinc/82/14/18/556821418.db2.gz	YDSZUARSIWUSOJ-CQSZACIVSA-N	1	1	425.555	0.705	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C4CCOCC4)C3)[nH]c(=O)c2C1	ZINC000019583761	556821345	/nfs/dbraw/zinc/82/13/45/556821345.db2.gz	YDSZUARSIWUSOJ-AWEZNQCLSA-N	1	1	425.555	0.705	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1	ZINC000019583764	556821270	/nfs/dbraw/zinc/82/12/70/556821270.db2.gz	QSWOKVUMZCYIPC-MRXNPFEDSA-N	1	1	437.566	0.873	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1	ZINC000019583767	556821326	/nfs/dbraw/zinc/82/13/26/556821326.db2.gz	QSWOKVUMZCYIPC-INIZCTEOSA-N	1	1	437.566	0.873	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1	ZINC000019583796	556821253	/nfs/dbraw/zinc/82/12/53/556821253.db2.gz	DZYBDPVDLVCIPZ-MRXNPFEDSA-N	1	1	432.550	0.709	40	0		ICABMO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1	ZINC000019583799	556821422	/nfs/dbraw/zinc/82/14/22/556821422.db2.gz	DZYBDPVDLVCIPZ-INIZCTEOSA-N	1	1	432.550	0.709	40	0		ICABMO
CN(Cc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)o1)S(C)(=O)=O	ZINC000019586439	556823193	/nfs/dbraw/zinc/82/31/93/556823193.db2.gz	BILHOGPDVSXSGL-UHFFFAOYSA-N	1	1	444.517	0.812	40	0		ICABMO
C[NH+]1CCN(c2nccc(CN3CCC(c4nnsc4S(C)(=O)=O)CC3)n2)CC1	ZINC000019590149	556825038	/nfs/dbraw/zinc/82/50/38/556825038.db2.gz	HWGOPOZYOZSRAK-UHFFFAOYSA-N	1	1	437.595	0.863	40	0		ICABMO
COCC[NH+]1CCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1	ZINC000019593417	556829775	/nfs/dbraw/zinc/82/97/75/556829775.db2.gz	BZNMRQSJIFLJLS-LJQANCHMSA-N	1	1	431.581	0.940	40	0		ICABMO
COCC[NH+]1CCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1	ZINC000019593418	556829868	/nfs/dbraw/zinc/82/98/68/556829868.db2.gz	BZNMRQSJIFLJLS-IBGZPJMESA-N	1	1	431.581	0.940	40	0		ICABMO
COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cnc(N5CCOCC5)nc4)C[C@H]32)c(OC)n1	ZINC000019594865	556830263	/nfs/dbraw/zinc/83/02/63/556830263.db2.gz	BBLFNZDQLITSHA-AQOAWAETSA-N	1	1	442.520	0.850	40	0		ICABMO
C[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)C1	ZINC000019697814	556855774	/nfs/dbraw/zinc/85/57/74/556855774.db2.gz	NVBFOWBSCHVWDR-GOSISDBHSA-N	1	1	444.580	0.940	40	0		ICABMO
C[C@H]1CCC[N@@H+](CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)C1	ZINC000019697815	556855759	/nfs/dbraw/zinc/85/57/59/556855759.db2.gz	NVBFOWBSCHVWDR-SFHVURJKSA-N	1	1	444.580	0.940	40	0		ICABMO
CC(=O)NCc1ccc([C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C(=O)N(C)C)cc1	ZINC000019698787	569230135	/nfs/dbraw/zinc/23/01/35/569230135.db2.gz	AVILPIZHPXEIGB-RTWAWAEBSA-N	1	1	430.549	0.675	40	0		ICABMO
CN(C)C(=O)C[NH+]1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1	ZINC000019699423	556858797	/nfs/dbraw/zinc/85/87/97/556858797.db2.gz	LYYKEUOYNUSYBT-UHFFFAOYSA-N	1	1	441.532	0.766	40	0		ICABMO
CN(C)C(=O)C[N@H+]1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1	ZINC000019699680	556859315	/nfs/dbraw/zinc/85/93/15/556859315.db2.gz	OEXPLCRBEHWOEE-GOSISDBHSA-N	1	1	441.532	0.766	40	0		ICABMO
CN(C)C(=O)C[N@@H+]1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1	ZINC000019699680	556859312	/nfs/dbraw/zinc/85/93/12/556859312.db2.gz	OEXPLCRBEHWOEE-GOSISDBHSA-N	1	1	441.532	0.766	40	0		ICABMO
CN(C)C(=O)C[N@H+]1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1	ZINC000019699681	556859361	/nfs/dbraw/zinc/85/93/61/556859361.db2.gz	OEXPLCRBEHWOEE-SFHVURJKSA-N	1	1	441.532	0.766	40	0		ICABMO
CN(C)C(=O)C[N@@H+]1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1	ZINC000019699681	556859358	/nfs/dbraw/zinc/85/93/58/556859358.db2.gz	OEXPLCRBEHWOEE-SFHVURJKSA-N	1	1	441.532	0.766	40	0		ICABMO
Cc1nc(C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C	ZINC000019739304	556877215	/nfs/dbraw/zinc/87/72/15/556877215.db2.gz	FHKIZHYPAMGQCI-QGZVFWFLSA-N	1	1	442.564	0.987	40	0		ICABMO
Cc1nc(C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C	ZINC000019739305	556877234	/nfs/dbraw/zinc/87/72/34/556877234.db2.gz	FHKIZHYPAMGQCI-KRWDZBQOSA-N	1	1	442.564	0.987	40	0		ICABMO
CC(=O)NCC(=O)N1CCO[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1	ZINC000019759597	556903467	/nfs/dbraw/zinc/90/34/67/556903467.db2.gz	MORTVOKOOCNREW-NRFANRHFSA-N	1	1	439.516	0.658	40	0		ICABMO
CC(=O)NCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1	ZINC000019759599	556903360	/nfs/dbraw/zinc/90/33/60/556903360.db2.gz	MORTVOKOOCNREW-OAQYLSRUSA-N	1	1	439.516	0.658	40	0		ICABMO
COc1ccc2cc(CN(CCO)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1	ZINC000019824599	557508567	/nfs/dbraw/zinc/50/85/67/557508567.db2.gz	XIQKHYFEIHGKLM-UHFFFAOYSA-N	1	1	434.562	0.928	40	0		ICABMO
COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+]3CCOCC3)cc2c1	ZINC000019824789	557508525	/nfs/dbraw/zinc/50/85/25/557508525.db2.gz	SSVKAXHTMWLMFZ-UHFFFAOYSA-N	1	1	434.562	0.928	40	0		ICABMO
O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCCC[NH+]1CCOCC1)OCO3	ZINC000019940459	557510540	/nfs/dbraw/zinc/51/05/40/557510540.db2.gz	UVMVACUXWMPICK-UHFFFAOYSA-N	1	1	448.545	0.648	40	0		ICABMO
C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	ZINC000019961909	556955679	/nfs/dbraw/zinc/95/56/79/556955679.db2.gz	PZVKPWKNGITQQT-INIZCTEOSA-N	1	1	442.347	0.896	40	0		ICABMO
C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	ZINC000019961911	556955625	/nfs/dbraw/zinc/95/56/25/556955625.db2.gz	PZVKPWKNGITQQT-MRXNPFEDSA-N	1	1	442.347	0.896	40	0		ICABMO
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CC[NH+](C)CC3)cc2c1	ZINC000019973323	557511620	/nfs/dbraw/zinc/51/16/20/557511620.db2.gz	OKYXFXJLPNOGRQ-LJQANCHMSA-N	1	1	427.509	0.897	40	0		ICABMO
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](C)CC3)cc2c1	ZINC000019973324	557511643	/nfs/dbraw/zinc/51/16/43/557511643.db2.gz	OKYXFXJLPNOGRQ-IBGZPJMESA-N	1	1	427.509	0.897	40	0		ICABMO
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](C)CC1	ZINC000019973376	557511710	/nfs/dbraw/zinc/51/17/10/557511710.db2.gz	SHEVWZCGMLXBNR-SFHVURJKSA-N	1	1	427.465	0.227	40	0		ICABMO
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](C)CC1	ZINC000019973377	557511678	/nfs/dbraw/zinc/51/16/78/557511678.db2.gz	SHEVWZCGMLXBNR-GOSISDBHSA-N	1	1	427.465	0.227	40	0		ICABMO
COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(CO)o3)[C@@H]2O)CC1	ZINC000020463814	524563007	/nfs/dbraw/zinc/56/30/07/524563007.db2.gz	SLRSSNVZJPDTJA-FWKCKQQBSA-N	1	1	445.516	0.546	40	0	biogenic,in-vitro	ICABMO
COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccccn3)[C@@H]2O)CC1	ZINC000020463824	524561341	/nfs/dbraw/zinc/56/13/41/524561341.db2.gz	OWWCMDHXCSSWQG-FWKCKQQBSA-N	1	1	426.517	0.855	40	0	biogenic,in-vitro	ICABMO
NC(=O)C1CC[NH+]([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(OC(F)(F)F)cc3)[C@@H]2O)CC1	ZINC000020463887	526857761	/nfs/dbraw/zinc/85/77/61/526857761.db2.gz	RSDKNTKBZFDGLT-ZQOJQMTGSA-N	1	1	445.438	0.725	40	0	biogenic,in-vitro	ICABMO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)c1cccc(F)c1	ZINC000020464886	526630075	/nfs/dbraw/zinc/63/00/75/526630075.db2.gz	WTUODMLGPJMNSS-CLAROIROSA-N	1	1	429.492	0.867	40	0	biogenic,in-vitro	ICABMO
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000020464888	523710123	/nfs/dbraw/zinc/71/01/23/523710123.db2.gz	DSKYTSPXYITEET-WZYRSQIMSA-N	1	1	441.528	0.736	40	0	biogenic,in-vitro	ICABMO
C[NH+]1CCN([C@H]2[C@@H](CNC(=O)Nc3ccc(OC(F)(F)F)cc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465168	523922416	/nfs/dbraw/zinc/92/24/16/523922416.db2.gz	FFSDRKAZUOCNKX-LTIDMASMSA-N	1	1	448.442	0.443	40	0	biogenic,in-vitro	ICABMO
COC[C@H]1CCC[N@H+]1[C@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465302	522834719	/nfs/dbraw/zinc/83/47/19/522834719.db2.gz	WMAZLPSOGFVPQT-FWEDZOCSSA-N	1	1	434.942	0.218	40	0	biogenic,in-vitro	ICABMO
COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465302	522834710	/nfs/dbraw/zinc/83/47/10/522834710.db2.gz	WMAZLPSOGFVPQT-FWEDZOCSSA-N	1	1	434.942	0.218	40	0	biogenic,in-vitro	ICABMO
C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465785	522956724	/nfs/dbraw/zinc/95/67/24/522956724.db2.gz	OAFVYMQCMWRKBG-IVAOSVALSA-N	1	1	438.521	0.768	40	0	biogenic,in-vitro	ICABMO
C[N@@H+](CCc1ccccn1)[C@H]1[C@@H](CNS(=O)(=O)c2cccs2)O[C@@H](CO)[C@H]1O	ZINC000020465869	522965715	/nfs/dbraw/zinc/96/57/15/522965715.db2.gz	NOJWAJOEAMURLF-MXSMSXNCSA-N	1	1	427.548	0.085	40	0	biogenic,in-vitro	ICABMO
C[N@@H+](CCc1ccccn1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465875	522964754	/nfs/dbraw/zinc/96/47/54/522964754.db2.gz	RDUKKZYGMBRTNQ-FUMNGEBKSA-N	1	1	439.509	0.163	40	0	biogenic,in-vitro	ICABMO
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)CCc2ccccn2)cc1	ZINC000020465881	525577471	/nfs/dbraw/zinc/57/74/71/525577471.db2.gz	RYGWLXFEDYTBCQ-IVAOSVALSA-N	1	1	435.546	0.332	40	0	biogenic,in-vitro	ICABMO
COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)CCc2ccccn2)c1	ZINC000020465903	526192046	/nfs/dbraw/zinc/19/20/46/526192046.db2.gz	QXJJUDAFIIQPOT-IVAOSVALSA-N	1	1	430.505	0.875	40	0	biogenic,in-vitro	ICABMO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000020566434	523807727	/nfs/dbraw/zinc/80/77/27/523807727.db2.gz	SYBQALHEBYPZNF-JTJHUGLZSA-N	1	1	438.278	0.197	40	0		ICABMO
COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC[NH+]2CCOCC2)c1	ZINC000022230289	523795716	/nfs/dbraw/zinc/79/57/16/523795716.db2.gz	OXIFRJHNXKQOTJ-GOSISDBHSA-N	1	1	425.551	0.995	40	0		ICABMO
COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC[NH+]2CCOCC2)c1	ZINC000022230292	523797953	/nfs/dbraw/zinc/79/79/53/523797953.db2.gz	OXIFRJHNXKQOTJ-SFHVURJKSA-N	1	1	425.551	0.995	40	0		ICABMO
CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1	ZINC000022250322	521663190	/nfs/dbraw/zinc/66/31/90/521663190.db2.gz	YXADBBVMQYKEJG-UHFFFAOYSA-N	1	1	431.942	0.904	40	0		ICABMO
CCN(c1cc(OC)c(OC)cc1C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000022252333	521479111	/nfs/dbraw/zinc/47/91/11/521479111.db2.gz	DABIDWCOYFPSAY-UHFFFAOYSA-N	1	1	429.539	0.942	40	0		ICABMO
CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCC[NH+]1CCOCC1	ZINC000022253080	521658709	/nfs/dbraw/zinc/65/87/09/521658709.db2.gz	DLZRILKSOIWVME-UHFFFAOYSA-N	1	1	429.539	0.942	40	0		ICABMO
Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)N(C)C)c1	ZINC000022511889	524117288	/nfs/dbraw/zinc/11/72/88/524117288.db2.gz	KADYQSWQWPSDJK-UHFFFAOYSA-N	1	1	425.599	0.670	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	ZINC000022525172	523897533	/nfs/dbraw/zinc/89/75/33/523897533.db2.gz	JNKMDFLZTPZELK-KRWDZBQOSA-N	1	1	430.958	0.621	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	ZINC000022525178	523896522	/nfs/dbraw/zinc/89/65/22/523896522.db2.gz	JNKMDFLZTPZELK-QGZVFWFLSA-N	1	1	430.958	0.621	40	0		ICABMO
COc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1Cl	ZINC000022829588	557271256	/nfs/dbraw/zinc/27/12/56/557271256.db2.gz	MYKMGXBXJWYXIC-UHFFFAOYSA-N	1	1	432.974	0.868	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1	ZINC000022829597	557271093	/nfs/dbraw/zinc/27/10/93/557271093.db2.gz	DZXGBKBFJXXMDB-UHFFFAOYSA-N	1	1	447.399	0.969	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1	ZINC000022829932	557271580	/nfs/dbraw/zinc/27/15/80/557271580.db2.gz	IITLHXDSEREZCO-UHFFFAOYSA-N	1	1	444.985	0.728	40	0		ICABMO
CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)OCCO2	ZINC000022829991	557271703	/nfs/dbraw/zinc/27/17/03/557271703.db2.gz	FKXGERFCJKQNIR-UHFFFAOYSA-N	1	1	440.566	0.368	40	0		ICABMO
C[NH+]1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]2O)CC1	ZINC000022922184	556340902	/nfs/dbraw/zinc/34/09/02/556340902.db2.gz	QZFRJVNEYDXGGE-OVYGPGRDSA-N	1	1	430.427	0.928	40	0	biogenic,in-vitro	ICABMO
Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(C)CC2)[N@@H+]3C)cc1	ZINC000022923502	556341480	/nfs/dbraw/zinc/34/14/80/556341480.db2.gz	GIPWNCGSPMWBBI-XJUOHMSHSA-N	1	1	427.593	0.922	40	0	biogenic,in-vitro	ICABMO
COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O	ZINC000022933224	557051207	/nfs/dbraw/zinc/05/12/07/557051207.db2.gz	PZJRKIINLUXBAS-UHFFFAOYSA-N	1	1	432.974	0.868	40	0		ICABMO
CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)OCO2	ZINC000022933312	557051063	/nfs/dbraw/zinc/05/10/63/557051063.db2.gz	LVUHZWRFZFQIGM-UHFFFAOYSA-N	1	1	426.539	0.325	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1	ZINC000022933457	557051338	/nfs/dbraw/zinc/05/13/38/557051338.db2.gz	QKTJXJKOKXRNBS-UHFFFAOYSA-N	1	1	447.399	0.969	40	0		ICABMO
COc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c(OC)c1	ZINC000022933905	557051609	/nfs/dbraw/zinc/05/16/09/557051609.db2.gz	MVJJAKXUKGZKAB-UHFFFAOYSA-N	1	1	428.555	0.224	40	0		ICABMO
COc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1OC	ZINC000022934581	557051942	/nfs/dbraw/zinc/05/19/42/557051942.db2.gz	FNTDDCDQWVSXEL-UHFFFAOYSA-N	1	1	428.555	0.224	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1	ZINC000022934607	557052032	/nfs/dbraw/zinc/05/20/32/557052032.db2.gz	DVQWROGHLHFSBR-UHFFFAOYSA-N	1	1	440.566	0.715	40	0		ICABMO
COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000022934714	557052208	/nfs/dbraw/zinc/05/22/08/557052208.db2.gz	FGZMTHDSSUWNQK-UHFFFAOYSA-N	1	1	428.555	0.224	40	0		ICABMO
CN1CC[NH+](CCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1	ZINC000022934813	557052123	/nfs/dbraw/zinc/05/21/23/557052123.db2.gz	PDEZCIFEIJZLCX-UHFFFAOYSA-N	1	1	447.399	0.969	40	0		ICABMO
CCOc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000022934846	557052217	/nfs/dbraw/zinc/05/22/17/557052217.db2.gz	IROMEZYMEKBOPD-KRWDZBQOSA-N	1	1	426.583	0.994	40	0		ICABMO
CCOc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000022934850	557052002	/nfs/dbraw/zinc/05/20/02/557052002.db2.gz	IROMEZYMEKBOPD-QGZVFWFLSA-N	1	1	426.583	0.994	40	0		ICABMO
C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000022934910	557052225	/nfs/dbraw/zinc/05/22/25/557052225.db2.gz	KOFSVQXQGZYNLF-MRXNPFEDSA-N	1	1	440.566	0.366	40	0		ICABMO
C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000022934914	557052185	/nfs/dbraw/zinc/05/21/85/557052185.db2.gz	KOFSVQXQGZYNLF-INIZCTEOSA-N	1	1	440.566	0.366	40	0		ICABMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000022935105	557052390	/nfs/dbraw/zinc/05/23/90/557052390.db2.gz	RCWZRWHZYGGGPT-UHFFFAOYSA-N	1	1	440.566	0.083	40	0		ICABMO
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000029214304	556470258	/nfs/dbraw/zinc/47/02/58/556470258.db2.gz	XUNKDYNHOSMQTR-UHFFFAOYSA-N	1	1	429.498	0.980	40	0		ICABMO
COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)cc1	ZINC000030879700	291314264	/nfs/dbraw/zinc/31/42/64/291314264.db2.gz	RUTOXJIHETVKJC-IVAOSVALSA-N	1	1	436.530	0.595	40	0	biogenic,in-vitro	ICABMO
O=S(=O)(c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1)N1CCOCC1	ZINC000035311636	527279154	/nfs/dbraw/zinc/27/91/54/527279154.db2.gz	LWCNMVGAZOMFQD-UHFFFAOYSA-N	1	1	443.591	0.956	40	0		ICABMO
CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2cc(Br)ccc2NC1=O	ZINC000035375477	522107580	/nfs/dbraw/zinc/10/75/80/522107580.db2.gz	AKGKVHNQYDQQTE-ZIQVDXLISA-N	1	1	449.305	0.843	40	0		ICABMO
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2cc(Br)ccc2NC1=O	ZINC000035375479	523946184	/nfs/dbraw/zinc/94/61/84/523946184.db2.gz	AKGKVHNQYDQQTE-VWXNNKAKSA-N	1	1	449.305	0.843	40	0		ICABMO
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(Br)ccc2NC1=O	ZINC000035375481	522106590	/nfs/dbraw/zinc/10/65/90/522106590.db2.gz	AKGKVHNQYDQQTE-WCCRFQNCSA-N	1	1	449.305	0.843	40	0		ICABMO
CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccn3)CC1)[N@H+]2C	ZINC000035442493	519688785	/nfs/dbraw/zinc/68/87/85/519688785.db2.gz	CJERDTNQWWEJBT-JQVVWYNYSA-N	1	1	428.581	0.792	40	0	biogenic,in-vitro	ICABMO
CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccn3)CC1)[N@@H+]2C	ZINC000035442493	519688784	/nfs/dbraw/zinc/68/87/84/519688784.db2.gz	CJERDTNQWWEJBT-JQVVWYNYSA-N	1	1	428.581	0.792	40	0	biogenic,in-vitro	ICABMO
CC(C)[N@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccn3)CC1)N2C	ZINC000035442493	519688783	/nfs/dbraw/zinc/68/87/83/519688783.db2.gz	CJERDTNQWWEJBT-JQVVWYNYSA-N	1	1	428.581	0.792	40	0	biogenic,in-vitro	ICABMO
COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@H+]3C)cc1	ZINC000035442501	524037607	/nfs/dbraw/zinc/03/76/07/524037607.db2.gz	JQLGJSZODRLPFH-DWLFOUALSA-N	1	1	430.549	0.707	40	0	biogenic,in-vitro	ICABMO
O=C(c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1)N(CCO)CCO	ZINC000057761863	557261878	/nfs/dbraw/zinc/26/18/78/557261878.db2.gz	FEPUMNIAWZBJAT-UHFFFAOYSA-N	1	1	436.512	0.882	40	0		ICABMO
COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ncccn2)CC1	ZINC000067870884	291312640	/nfs/dbraw/zinc/31/26/40/291312640.db2.gz	DJXFIGZRSCBWTO-GBESFXJTSA-N	1	1	433.626	0.420	40	0	biogenic,in-vitro	ICABMO
CC[N@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14	ZINC000070691758	291311366	/nfs/dbraw/zinc/31/13/66/291311366.db2.gz	XRARAKHBJHWUHW-SMCICNQZSA-N	1	1	437.577	0.502	40	0	biogenic,in-vitro	ICABMO
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)N1	ZINC000072335163	556907970	/nfs/dbraw/zinc/90/79/70/556907970.db2.gz	XFGGTXKBXBOLCM-VQTJNVASSA-N	1	1	446.577	0.653	40	0		ICABMO
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)N1	ZINC000072335164	556907907	/nfs/dbraw/zinc/90/79/07/556907907.db2.gz	XFGGTXKBXBOLCM-WOJBJXKFSA-N	1	1	446.577	0.653	40	0		ICABMO
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)N1	ZINC000072335165	556908005	/nfs/dbraw/zinc/90/80/05/556908005.db2.gz	XFGGTXKBXBOLCM-PMACEKPBSA-N	1	1	446.577	0.653	40	0		ICABMO
Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)N(C)S(=O)(=O)N1	ZINC000072335166	556907920	/nfs/dbraw/zinc/90/79/20/556907920.db2.gz	XFGGTXKBXBOLCM-UXHICEINSA-N	1	1	446.577	0.653	40	0		ICABMO
CCN1CC[NH+](CCC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1	ZINC000072338832	556911389	/nfs/dbraw/zinc/91/13/89/556911389.db2.gz	KNGUBNQWLXUXSD-OAQYLSRUSA-N	1	1	435.594	0.983	40	0		ICABMO
CCN1CC[NH+](CCC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1	ZINC000072338833	556911272	/nfs/dbraw/zinc/91/12/72/556911272.db2.gz	KNGUBNQWLXUXSD-NRFANRHFSA-N	1	1	435.594	0.983	40	0		ICABMO
NC(=O)C1CCN(C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1	ZINC000072339668	556911704	/nfs/dbraw/zinc/91/17/04/556911704.db2.gz	UZAMXQFCMPFNSB-UHFFFAOYSA-N	1	1	428.489	0.636	40	0		ICABMO
CC[NH+]1CCN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)CC1	ZINC000072342457	521663174	/nfs/dbraw/zinc/66/31/74/521663174.db2.gz	ZTHHAHXVJKREGL-FQEVSTJZSA-N	1	1	435.550	0.263	40	0		ICABMO
CC[NH+]1CCN(C(=O)CN2CC[C@]3(CCC2=O)Nc2ccccc2S(=O)(=O)N3)CC1	ZINC000072342458	521662919	/nfs/dbraw/zinc/66/29/19/521662919.db2.gz	ZTHHAHXVJKREGL-HXUWFJFHSA-N	1	1	435.550	0.263	40	0		ICABMO
Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnc(N3CCOCC3)nc2)n1	ZINC000072394808	556966150	/nfs/dbraw/zinc/96/61/50/556966150.db2.gz	XQFSXSABCFKOHI-QIDMFYOTSA-N	1	1	426.521	0.736	40	0		ICABMO
CNC(=O)CN1CC2(CC[NH+](Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O	ZINC000096037192	557164436	/nfs/dbraw/zinc/16/44/36/557164436.db2.gz	JFXZVEWISIWILW-UHFFFAOYSA-N	1	1	447.561	0.832	40	0		ICABMO
Cn1cc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cn1	ZINC000096056165	557167455	/nfs/dbraw/zinc/16/74/55/557167455.db2.gz	UNIIQMFYQZVRFY-UGKGYDQZSA-N	1	1	425.537	0.788	40	0		ICABMO
Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1	ZINC000096056189	557167324	/nfs/dbraw/zinc/16/73/24/557167324.db2.gz	TTXCDUDVARTYIM-GMAHTHKFSA-N	1	1	441.580	0.727	40	0		ICABMO
Cn1cc(CN2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1	ZINC000096056189	557167321	/nfs/dbraw/zinc/16/73/21/557167321.db2.gz	TTXCDUDVARTYIM-GMAHTHKFSA-N	1	1	441.580	0.727	40	0		ICABMO
Cn1cc(CN2CCC[C@]3(C(=O)N4CCOCC4)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cn1	ZINC000096056189	557167314	/nfs/dbraw/zinc/16/73/14/557167314.db2.gz	TTXCDUDVARTYIM-GMAHTHKFSA-N	1	1	441.580	0.727	40	0		ICABMO
CN(C)C(=O)CN1[C@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O	ZINC000096145844	557175641	/nfs/dbraw/zinc/17/56/41/557175641.db2.gz	SRZYEZLUKGPAGG-HOTGVXAUSA-N	1	1	438.550	0.079	40	0		ICABMO
CN(C)C(=O)CN1[C@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O	ZINC000096145844	557175635	/nfs/dbraw/zinc/17/56/35/557175635.db2.gz	SRZYEZLUKGPAGG-HOTGVXAUSA-N	1	1	438.550	0.079	40	0		ICABMO
CC(C)NC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC000096251505	557189051	/nfs/dbraw/zinc/18/90/51/557189051.db2.gz	CNZVMWKXPARQTP-KNQAVFIVSA-N	1	1	432.569	0.911	40	0		ICABMO
CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cn32)CC1	ZINC000096267387	557193230	/nfs/dbraw/zinc/19/32/30/557193230.db2.gz	VMOAAUGLERTRNZ-UHFFFAOYSA-N	1	1	426.565	0.927	40	0		ICABMO
CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC[N@H+](C)CC4)cn32)CC1	ZINC000096267387	557193227	/nfs/dbraw/zinc/19/32/27/557193227.db2.gz	VMOAAUGLERTRNZ-UHFFFAOYSA-N	1	1	426.565	0.927	40	0		ICABMO
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ncc[nH]3)[N@H+]2C)cc1	ZINC000096536582	291314214	/nfs/dbraw/zinc/31/42/14/291314214.db2.gz	KXZMWVSWCNPQAZ-KPLVRAHFSA-N	1	1	440.548	0.888	40	0	biogenic,in-vitro	ICABMO
C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)CC1	ZINC000101482327	568844285	/nfs/dbraw/zinc/84/42/85/568844285.db2.gz	FECKGFUNQBTNPX-HDICACEKSA-N	1	1	436.578	0.662	40	0		ICABMO
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(Br)ccc2NC1=O	ZINC000102856008	557309565	/nfs/dbraw/zinc/30/95/65/557309565.db2.gz	AKGKVHNQYDQQTE-CAFOKOFXSA-N	1	1	449.305	0.843	40	0		ICABMO
NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000103517936	557138402	/nfs/dbraw/zinc/13/84/02/557138402.db2.gz	SKXPXFPKMWAWBT-JJOMQTDWSA-N	1	1	432.864	0.115	40	0		ICABMO
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000105352356	557331117	/nfs/dbraw/zinc/33/11/17/557331117.db2.gz	SYBQALHEBYPZNF-LPRHKYBASA-N	1	1	438.278	0.197	40	0		ICABMO
COc1ccc(OC)c(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1	ZINC000220218437	557286163	/nfs/dbraw/zinc/28/61/63/557286163.db2.gz	QUPARNUEDIVXAS-HNNXBMFYSA-N	1	1	429.539	0.697	40	0		ICABMO
COc1ccc(OC)c(N([C@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)c1	ZINC000220218503	557286151	/nfs/dbraw/zinc/28/61/51/557286151.db2.gz	QUPARNUEDIVXAS-OAHLLOKOSA-N	1	1	429.539	0.697	40	0		ICABMO
COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1OC	ZINC000220237645	557287327	/nfs/dbraw/zinc/28/73/27/557287327.db2.gz	VRTZRMAHDGJPCR-HNNXBMFYSA-N	1	1	429.539	0.697	40	0		ICABMO
COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCOCC2)S(C)(=O)=O)cc1OC	ZINC000220237712	557287376	/nfs/dbraw/zinc/28/73/76/557287376.db2.gz	VRTZRMAHDGJPCR-OAHLLOKOSA-N	1	1	429.539	0.697	40	0		ICABMO
CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000222673203	557371940	/nfs/dbraw/zinc/37/19/40/557371940.db2.gz	NOZVGSRISJFYTF-UHFFFAOYSA-N	1	1	441.550	0.843	40	0		ICABMO
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000224720081	557643867	/nfs/dbraw/zinc/64/38/67/557643867.db2.gz	GHSQEAMURRZUMZ-UHFFFAOYSA-N	1	1	429.498	0.980	40	0		ICABMO
CC(=O)N1CCC([NH+]2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)CC1	ZINC000225385921	291310549	/nfs/dbraw/zinc/31/05/49/291310549.db2.gz	GVEHFEKOVRWLAF-UXHICEINSA-N	1	1	426.517	0.056	40	0	biogenic,in-vitro	ICABMO
CC(=O)N1CCC([NH+]2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)CC1	ZINC000225389778	291310565	/nfs/dbraw/zinc/31/05/65/291310565.db2.gz	NHULNWQZGIYBSE-QUCCMNQESA-N	1	1	444.507	0.195	40	0	biogenic,in-vitro	ICABMO
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](CC(C)(C)C)C3)C2=O)cc1	ZINC000225396300	291312379	/nfs/dbraw/zinc/31/23/79/291312379.db2.gz	LFRRZKMUHXJQCY-MSOLQXFVSA-N	1	1	429.517	0.878	40	0	biogenic,in-vitro	ICABMO
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCOCC4)C3)C2=O)cc1	ZINC000225396359	291312402	/nfs/dbraw/zinc/31/24/02/291312402.db2.gz	QJHLSWFCCHNNDZ-MOPGFXCFSA-N	1	1	443.500	0.011	40	0	biogenic,in-vitro	ICABMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1	ZINC000250657106	569207865	/nfs/dbraw/zinc/20/78/65/569207865.db2.gz	CEUKNIIYXDBSGC-FUHWJXTLSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1	ZINC000250657106	569207864	/nfs/dbraw/zinc/20/78/64/569207864.db2.gz	CEUKNIIYXDBSGC-FUHWJXTLSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1	ZINC000250657109	569207856	/nfs/dbraw/zinc/20/78/56/569207856.db2.gz	CEUKNIIYXDBSGC-SJLPKXTDSA-N	1	1	430.505	0.617	40	0		ICABMO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1	ZINC000250657109	569207854	/nfs/dbraw/zinc/20/78/54/569207854.db2.gz	CEUKNIIYXDBSGC-SJLPKXTDSA-N	1	1	430.505	0.617	40	0		ICABMO
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[NH2+]C[C@H]3C(=O)NC[C@H]1O2	ZINC000253399057	569264780	/nfs/dbraw/zinc/26/47/80/569264780.db2.gz	ICFXUXYXWYDMTR-ZNWBIBPKSA-N	1	1	430.505	0.052	40	0		ICABMO
CC(C)CC[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccccc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1	ZINC000253403210	569265118	/nfs/dbraw/zinc/26/51/18/569265118.db2.gz	PNXMDLKYELBSFP-UGNRZPKXSA-N	1	1	442.578	0.568	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3nnn(-c4ccccc4)c3C)[C@H]2O)CC1	ZINC000257200549	568665156	/nfs/dbraw/zinc/66/51/56/568665156.db2.gz	ADTHUIWMCGEGQE-SFHLNBCPSA-N	1	1	426.521	0.752	40	0		ICABMO
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCCOCCO)cc2)C[C@H]1O	ZINC000257205367	556701635	/nfs/dbraw/zinc/70/16/35/556701635.db2.gz	AYSAAJPGFLMDEE-MISYRCLQSA-N	1	1	440.537	0.895	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)C(C)(C)NC(=O)c3cccc(F)c3)[C@H]2O)CC1	ZINC000257206458	568668158	/nfs/dbraw/zinc/66/81/58/568668158.db2.gz	BDNLJJXNTYINSN-VAMGGRTRSA-N	1	1	448.539	0.896	40	0		ICABMO
O=C(CN1CC[NH+](CCO)CC1)NCc1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)cc1	ZINC000257207562	568668671	/nfs/dbraw/zinc/66/86/71/568668671.db2.gz	BIHYAWXZWOYDOJ-JBACZVJFSA-N	1	1	431.537	0.019	40	0		ICABMO
CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3nc(C)n(-c4ccccc4)n3)CC[C@@H]2O)CC1	ZINC000257214451	568671601	/nfs/dbraw/zinc/67/16/01/568671601.db2.gz	CMBBZIYCONQAAE-PMACEKPBSA-N	1	1	426.521	0.705	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3nnn(-c4ccccc4F)c3C)[C@H]2O)CC1	ZINC000257219456	568674120	/nfs/dbraw/zinc/67/41/20/568674120.db2.gz	DGVMZIMAOWUHJD-YFVAEKQCSA-N	1	1	444.511	0.891	40	0		ICABMO
C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1	ZINC000257226046	556708559	/nfs/dbraw/zinc/70/85/59/556708559.db2.gz	FIXHAJYXKBVYIR-HSZRJFAPSA-N	1	1	441.532	0.787	40	0		ICABMO
C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1	ZINC000257226047	556708635	/nfs/dbraw/zinc/70/86/35/556708635.db2.gz	FIXHAJYXKBVYIR-QHCPKHFHSA-N	1	1	441.532	0.787	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3nnn(-c4ccc(F)cc4)c3C)[C@H]2O)CC1	ZINC000257226585	568677254	/nfs/dbraw/zinc/67/72/54/568677254.db2.gz	FLGOGBOYXZOLAI-SFHLNBCPSA-N	1	1	444.511	0.891	40	0		ICABMO
CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C[C@@H]2O)CC1	ZINC000257227429	556708603	/nfs/dbraw/zinc/70/86/03/556708603.db2.gz	FPFUNTWAIYZPGZ-GOTSBHOMSA-N	1	1	444.576	0.787	40	0		ICABMO
CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)CC1	ZINC000257231100	568679455	/nfs/dbraw/zinc/67/94/55/568679455.db2.gz	GFFZUKOEOUWREF-HSZRJFAPSA-N	1	1	434.556	0.758	40	0		ICABMO
CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)CC1	ZINC000257231101	568679344	/nfs/dbraw/zinc/67/93/44/568679344.db2.gz	GFFZUKOEOUWREF-QHCPKHFHSA-N	1	1	434.556	0.758	40	0		ICABMO
O=C(CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257237514	568682700	/nfs/dbraw/zinc/68/27/00/568682700.db2.gz	HGVRUUQZHJUXBL-VALFRTSSSA-N	1	1	448.495	0.371	40	0		ICABMO
O=C(CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257237515	568682739	/nfs/dbraw/zinc/68/27/39/568682739.db2.gz	HGVRUUQZHJUXBL-VRVBVOGLSA-N	1	1	448.495	0.371	40	0		ICABMO
CN(C(=O)CC[C@]1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257239872	568683677	/nfs/dbraw/zinc/68/36/77/568683677.db2.gz	HREBNIOBZGDVQT-VALFRTSSSA-N	1	1	448.495	0.323	40	0		ICABMO
CN(C(=O)CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257239873	568683687	/nfs/dbraw/zinc/68/36/87/568683687.db2.gz	HREBNIOBZGDVQT-VRVBVOGLSA-N	1	1	448.495	0.323	40	0		ICABMO
CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C)CC[C@@H]2O)CC1	ZINC000257243720	568685523	/nfs/dbraw/zinc/68/55/23/568685523.db2.gz	IIGKNQMKWJKDFC-PMACEKPBSA-N	1	1	444.511	0.844	40	0		ICABMO
C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257256305	568691399	/nfs/dbraw/zinc/69/13/99/568691399.db2.gz	KKWWTZCUQKQOOI-DNVFCKCGSA-N	1	1	446.592	0.994	40	0		ICABMO
CCn1nc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)[C@@H]2O)c2ccccc2c1=O	ZINC000257259905	568693015	/nfs/dbraw/zinc/69/30/15/568693015.db2.gz	LAPSHYXPRIIKAR-SFHLNBCPSA-N	1	1	441.532	0.544	40	0		ICABMO
CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3nnn(-c4ccccc4F)c3C)CC[C@@H]2O)CC1	ZINC000257262947	568694763	/nfs/dbraw/zinc/69/47/63/568694763.db2.gz	LNTAGWFMSBFILR-PMACEKPBSA-N	1	1	444.511	0.844	40	0		ICABMO
CC(=O)NC1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279523	556714525	/nfs/dbraw/zinc/71/45/25/556714525.db2.gz	OGZYBLZXBUKADZ-HSZRJFAPSA-N	1	1	435.565	0.612	40	0		ICABMO
CC(=O)NC1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279523	556714522	/nfs/dbraw/zinc/71/45/22/556714522.db2.gz	OGZYBLZXBUKADZ-HSZRJFAPSA-N	1	1	435.565	0.612	40	0		ICABMO
CC(=O)NC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279524	556714914	/nfs/dbraw/zinc/71/49/14/556714914.db2.gz	OGZYBLZXBUKADZ-QHCPKHFHSA-N	1	1	435.565	0.612	40	0		ICABMO
CC(=O)NC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279524	556714911	/nfs/dbraw/zinc/71/49/11/556714911.db2.gz	OGZYBLZXBUKADZ-QHCPKHFHSA-N	1	1	435.565	0.612	40	0		ICABMO
CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COCc3nc4ccccc4n3C)CC[C@@H]2O)CC1	ZINC000257281821	568703128	/nfs/dbraw/zinc/70/31/28/568703128.db2.gz	ORDLWZVOFKMAFU-SFTDATJTSA-N	1	1	443.548	0.606	40	0		ICABMO
CN1CCC[N@@H+](C[C@@]2(O)CCCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000257281912	568702950	/nfs/dbraw/zinc/70/29/50/568702950.db2.gz	ORLFBJNXJPUSNA-JOCHJYFZSA-N	1	1	430.553	0.649	40	0		ICABMO
CN1CCC[N@@H+](C[C@]2(O)CCCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000257281913	568703118	/nfs/dbraw/zinc/70/31/18/568703118.db2.gz	ORLFBJNXJPUSNA-QFIPXVFZSA-N	1	1	430.553	0.649	40	0		ICABMO
COCCn1cnc2cc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCN(C(C)=O)CC4)CC3)ccc21	ZINC000257285439	568704639	/nfs/dbraw/zinc/70/46/39/568704639.db2.gz	PHBWDVBUVKNNEP-VXKWHMMOSA-N	1	1	443.548	0.812	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)C(C)(C)NC(=O)c3ccc(F)cc3)[C@H]2O)CC1	ZINC000257286852	568705349	/nfs/dbraw/zinc/70/53/49/568705349.db2.gz	PNIJEMNIVDCKKR-VAMGGRTRSA-N	1	1	448.539	0.896	40	0		ICABMO
Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)cc1	ZINC000257310847	556718552	/nfs/dbraw/zinc/71/85/52/556718552.db2.gz	UGXBGRPSDCMGQR-DENIHFKCSA-N	1	1	440.504	0.450	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3nnn(-c4ccccc4F)c3C)[C@H]2O)CC1	ZINC000257312894	568716901	/nfs/dbraw/zinc/71/69/01/568716901.db2.gz	UQCOJPXIBRTCAP-SFHLNBCPSA-N	1	1	444.511	0.843	40	0		ICABMO
COCCOc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OC	ZINC000257314512	556703954	/nfs/dbraw/zinc/70/39/54/556703954.db2.gz	UXHOMAAMECGRNY-TZIWHRDSSA-N	1	1	434.493	0.171	40	0		ICABMO
COCCOc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OC	ZINC000257314512	556703951	/nfs/dbraw/zinc/70/39/51/556703951.db2.gz	UXHOMAAMECGRNY-TZIWHRDSSA-N	1	1	434.493	0.171	40	0		ICABMO
C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]2Oc2ccccc2)CC1	ZINC000257320563	568720138	/nfs/dbraw/zinc/72/01/38/568720138.db2.gz	VXJNFWMKVMHMGV-UNMCSNQZSA-N	1	1	444.576	0.779	40	0		ICABMO
CCn1nc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C(C)=O)CC3)CC2)c2ccccc2c1=O	ZINC000257325358	568722410	/nfs/dbraw/zinc/72/24/10/568722410.db2.gz	WSPJKNWYKRVHAZ-PMACEKPBSA-N	1	1	441.532	0.546	40	0		ICABMO
CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)CC[C@H]2O	ZINC000257329593	568724026	/nfs/dbraw/zinc/72/40/26/568724026.db2.gz	XKRJNEYUGSQBDE-RRPPUSTOSA-N	1	1	442.560	0.408	40	0		ICABMO
CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)CC[C@H]2O	ZINC000257329594	568724231	/nfs/dbraw/zinc/72/42/31/568724231.db2.gz	XKRJNEYUGSQBDE-YDLBFBONSA-N	1	1	442.560	0.408	40	0		ICABMO
CN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1	ZINC000257339906	556706983	/nfs/dbraw/zinc/70/69/83/556706983.db2.gz	ZDQKCIJOUMSIBO-HSZRJFAPSA-N	1	1	432.565	0.108	40	0		ICABMO
CN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1	ZINC000257339907	556707157	/nfs/dbraw/zinc/70/71/57/556707157.db2.gz	ZDQKCIJOUMSIBO-QHCPKHFHSA-N	1	1	432.565	0.108	40	0		ICABMO
O=C(CN1CC[NH+](CCO)CC1)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1	ZINC000257340690	568728985	/nfs/dbraw/zinc/72/89/85/568728985.db2.gz	ZHERMQIKRLTDKW-JBACZVJFSA-N	1	1	431.537	0.019	40	0		ICABMO
CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)CC1	ZINC000257344452	568730573	/nfs/dbraw/zinc/73/05/73/568730573.db2.gz	ZXGAUBHWUZEMKZ-HSZRJFAPSA-N	1	1	434.556	0.758	40	0		ICABMO
CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)CC1	ZINC000257344453	568730615	/nfs/dbraw/zinc/73/06/15/568730615.db2.gz	ZXGAUBHWUZEMKZ-QHCPKHFHSA-N	1	1	434.556	0.758	40	0		ICABMO
O=S(=O)(C1CC1)N1Cc2cnc(N3CCOCC3)nc2[C@]2(CC[N@@H+](CC3CC3)C2)C1	ZINC000306127909	568764965	/nfs/dbraw/zinc/76/49/65/568764965.db2.gz	GKLSXPCWMWGGEO-NRFANRHFSA-N	1	1	433.578	0.975	40	0		ICABMO
O=S(=O)(C1CC1)N1Cc2cnc(N3CCOCC3)nc2[C@@]2(CC[N@@H+](CC3CC3)C2)C1	ZINC000306127910	568764888	/nfs/dbraw/zinc/76/48/88/568764888.db2.gz	GKLSXPCWMWGGEO-OAQYLSRUSA-N	1	1	433.578	0.975	40	0		ICABMO
CS(=O)(=O)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CC[NH+](Cc2nccs2)CC1	ZINC000306134404	568768450	/nfs/dbraw/zinc/76/84/50/568768450.db2.gz	NMGPYRYDKIGLAL-UHFFFAOYSA-N	1	1	435.575	0.856	40	0		ICABMO
CN1CCn2c(C(=O)NCC[NH+]3CCCC3)nnc2C12CCN(Cc1cccnc1)CC2	ZINC000306138593	568770674	/nfs/dbraw/zinc/77/06/74/568770674.db2.gz	SBGFPHURZVDOMF-UHFFFAOYSA-N	1	1	438.580	0.935	40	0		ICABMO
CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCC[NH+]3CCOCC3)c3ccccn32)C1	ZINC000306141776	568772350	/nfs/dbraw/zinc/77/23/50/568772350.db2.gz	WGFGMDJZVIRGHC-KRWDZBQOSA-N	1	1	449.577	0.925	40	0		ICABMO
CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCC[NH+]3CCOCC3)c3ccccn32)C1	ZINC000306141777	568772407	/nfs/dbraw/zinc/77/24/07/568772407.db2.gz	WGFGMDJZVIRGHC-QGZVFWFLSA-N	1	1	449.577	0.925	40	0		ICABMO
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCC[NH+]1CCOCC1	ZINC000408590399	555947680	/nfs/dbraw/zinc/94/76/80/555947680.db2.gz	HAXUVCPWPVXVQN-UHFFFAOYSA-N	1	1	425.551	0.997	40	0		ICABMO
C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCC[NH+]1CCOCC1	ZINC000408592173	555953626	/nfs/dbraw/zinc/95/36/26/555953626.db2.gz	KJRBAPUBQFAPBQ-CYBMUJFWSA-N	1	1	434.356	0.954	40	0		ICABMO
C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCC[NH+]1CCOCC1	ZINC000408592178	555953516	/nfs/dbraw/zinc/95/35/16/555953516.db2.gz	KJRBAPUBQFAPBQ-ZDUSSCGKSA-N	1	1	434.356	0.954	40	0		ICABMO
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1	ZINC000408595552	555961695	/nfs/dbraw/zinc/96/16/95/555961695.db2.gz	SERMPMMEGHANCD-KRWDZBQOSA-N	1	1	425.551	0.934	40	0		ICABMO
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1	ZINC000408595554	555961690	/nfs/dbraw/zinc/96/16/90/555961690.db2.gz	SERMPMMEGHANCD-QGZVFWFLSA-N	1	1	425.551	0.934	40	0		ICABMO
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Cl)c1	ZINC000408636376	556019020	/nfs/dbraw/zinc/01/90/20/556019020.db2.gz	PEMBLUVDKRMAIG-UHFFFAOYSA-N	1	1	449.957	0.482	40	0		ICABMO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCOCC1	ZINC000408703549	556108482	/nfs/dbraw/zinc/10/84/82/556108482.db2.gz	SMAXVKJONQIGAB-UHFFFAOYSA-N	1	1	427.523	0.168	40	0		ICABMO
CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2	ZINC000408703994	556108837	/nfs/dbraw/zinc/10/88/37/556108837.db2.gz	IADKRZWNWOMGAE-UHFFFAOYSA-N	1	1	427.523	0.800	40	0		ICABMO
C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000408704456	556109925	/nfs/dbraw/zinc/10/99/25/556109925.db2.gz	NRYOMNIPJZVVJR-HNNXBMFYSA-N	1	1	427.523	0.451	40	0		ICABMO
C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000408704457	556109904	/nfs/dbraw/zinc/10/99/04/556109904.db2.gz	NRYOMNIPJZVVJR-OAHLLOKOSA-N	1	1	427.523	0.451	40	0		ICABMO
CC(=O)N1CCC[N@@H+](C[C@@H]2OC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H]2O)CC1	ZINC000514288984	556625530	/nfs/dbraw/zinc/62/55/30/556625530.db2.gz	LVPCQNYGIYMKAS-OKZBNKHCSA-N	1	1	431.942	0.301	40	0	biogenic,in-vitro	ICABMO
CC(=O)N1CCC[N@H+](C[C@@H]2OC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H]2O)CC1	ZINC000514288984	556625529	/nfs/dbraw/zinc/62/55/29/556625529.db2.gz	LVPCQNYGIYMKAS-OKZBNKHCSA-N	1	1	431.942	0.301	40	0	biogenic,in-vitro	ICABMO
COCCNC(=O)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O	ZINC000514289320	556625384	/nfs/dbraw/zinc/62/53/84/556625384.db2.gz	PYJGQGHRPBPXPH-OKZBNKHCSA-N	1	1	446.470	0.901	40	0	biogenic,in-vitro	ICABMO
CC(=O)N1CCC(N2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@@H+]23)CC1	ZINC000514289481	556623483	/nfs/dbraw/zinc/62/34/83/556623483.db2.gz	MBMHTCUYZOAXJD-FCHUYYIVSA-N	1	1	426.561	0.572	40	0	biogenic,in-vitro	ICABMO
CC(=O)N1CCC(N2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)C[N@H+]23)CC1	ZINC000514289481	556623482	/nfs/dbraw/zinc/62/34/82/556623482.db2.gz	MBMHTCUYZOAXJD-FCHUYYIVSA-N	1	1	426.561	0.572	40	0	biogenic,in-vitro	ICABMO
CC(=O)N1CCC([NH+]2CC3(C2)CN(C(=O)Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)CC1	ZINC000514289481	556623479	/nfs/dbraw/zinc/62/34/79/556623479.db2.gz	MBMHTCUYZOAXJD-FCHUYYIVSA-N	1	1	426.561	0.572	40	0	biogenic,in-vitro	ICABMO
O=C(NCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)[C@H]1CC[C@@H](Cn2cnnn2)CC1	ZINC000524729964	569188473	/nfs/dbraw/zinc/18/84/73/569188473.db2.gz	PMUMDPLNZHYFQZ-INDMIFKZSA-N	1	1	425.537	0.877	40	0		ICABMO
O=C(NC1CS(=O)(=O)C1)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2	ZINC000585101981	557035488	/nfs/dbraw/zinc/03/54/88/557035488.db2.gz	PWBNPHGRVOGNPF-IBGZPJMESA-N	1	1	438.546	0.200	40	0		ICABMO
O=C(NC1CS(=O)(=O)C1)[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2	ZINC000585101982	557035781	/nfs/dbraw/zinc/03/57/81/557035781.db2.gz	PWBNPHGRVOGNPF-LJQANCHMSA-N	1	1	438.546	0.200	40	0		ICABMO
CCOC(=O)[C@@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]2C[N@@H+](Cc2ccco2)C1	ZINC000585108227	557043840	/nfs/dbraw/zinc/04/38/40/557043840.db2.gz	ZYYRHUDIESTCHP-HKUYNNGSSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]2C[N@H+](Cc2ccco2)C1	ZINC000585108227	557043839	/nfs/dbraw/zinc/04/38/39/557043839.db2.gz	ZYYRHUDIESTCHP-HKUYNNGSSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@H]2C[N@@H+](Cc2ccco2)C1	ZINC000585108228	557043889	/nfs/dbraw/zinc/04/38/89/557043889.db2.gz	ZYYRHUDIESTCHP-IEBWSBKVSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@H]2C[N@H+](Cc2ccco2)C1	ZINC000585108228	557043887	/nfs/dbraw/zinc/04/38/87/557043887.db2.gz	ZYYRHUDIESTCHP-IEBWSBKVSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]2C[N@@H+](Cc2ccco2)C1	ZINC000585108229	557043897	/nfs/dbraw/zinc/04/38/97/557043897.db2.gz	ZYYRHUDIESTCHP-MJGOQNOKSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]2C[N@H+](Cc2ccco2)C1	ZINC000585108229	557043894	/nfs/dbraw/zinc/04/38/94/557043894.db2.gz	ZYYRHUDIESTCHP-MJGOQNOKSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@H]2C[N@@H+](Cc2ccco2)C1	ZINC000585108230	557043828	/nfs/dbraw/zinc/04/38/28/557043828.db2.gz	ZYYRHUDIESTCHP-PKOBYXMFSA-N	1	1	429.521	0.764	40	0		ICABMO
CCOC(=O)[C@@H]1CN2CCN(C(=O)Cc3ccn(C)n3)C[C@H]2C[N@H+](Cc2ccco2)C1	ZINC000585108230	557043826	/nfs/dbraw/zinc/04/38/26/557043826.db2.gz	ZYYRHUDIESTCHP-PKOBYXMFSA-N	1	1	429.521	0.764	40	0		ICABMO
O=C(NC1CS(=O)(=O)C1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1	ZINC000585108719	557043906	/nfs/dbraw/zinc/04/39/06/557043906.db2.gz	IHMFWVTYHXYUDM-PWIZWCRZSA-N	1	1	430.530	0.765	40	0		ICABMO
O=C(NC1CS(=O)(=O)C1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(-n3ccnc3)cc2)C1	ZINC000585108719	557043905	/nfs/dbraw/zinc/04/39/05/557043905.db2.gz	IHMFWVTYHXYUDM-PWIZWCRZSA-N	1	1	430.530	0.765	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)C(C)(C)NC(=O)c3ccccc3F)[C@H]2O)CC1	ZINC000585269135	557210810	/nfs/dbraw/zinc/21/08/10/557210810.db2.gz	MVTAEBBTJVWPOX-VAMGGRTRSA-N	1	1	448.539	0.896	40	0		ICABMO
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3nc(C)n(-c4ccccc4)n3)[C@H]2O)CC1	ZINC000585269167	557208247	/nfs/dbraw/zinc/20/82/47/557208247.db2.gz	RVLOOIMNMUOXAS-VAMGGRTRSA-N	1	1	426.521	0.752	40	0		ICABMO
COCCOc1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)ccc1OC	ZINC000585270389	557214065	/nfs/dbraw/zinc/21/40/65/557214065.db2.gz	JAPAUTKUVUDGJF-IRLDBZIGSA-N	1	1	431.489	0.453	40	0		ICABMO
COCCOc1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)ccc1OC	ZINC000585270389	557214059	/nfs/dbraw/zinc/21/40/59/557214059.db2.gz	JAPAUTKUVUDGJF-IRLDBZIGSA-N	1	1	431.489	0.453	40	0		ICABMO
COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O	ZINC000585270409	557214287	/nfs/dbraw/zinc/21/42/87/557214287.db2.gz	JGLYRAYITRQXOG-FYYLOGMGSA-N	1	1	446.548	0.639	40	0		ICABMO
O=C(NC[C@]1(O)C[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O)c1ccccn1	ZINC000585270414	557214243	/nfs/dbraw/zinc/21/42/43/557214243.db2.gz	JIARJAKJTDASLP-GGAORHGYSA-N	1	1	437.500	0.695	40	0		ICABMO
CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)CC1	ZINC000585270436	557213997	/nfs/dbraw/zinc/21/39/97/557213997.db2.gz	JYGXIQXLGMDLFW-VXKWHMMOSA-N	1	1	430.549	0.397	40	0		ICABMO
Cn1ccnc1COc1ccc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)cc1	ZINC000585270503	568616734	/nfs/dbraw/zinc/61/67/34/568616734.db2.gz	LNESAGOLRVZUMA-NQIIRXRSSA-N	1	1	443.529	0.793	40	0		ICABMO
COCC(=O)NC[C@]1(O)C[N@@H+](Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O	ZINC000585270579	568617011	/nfs/dbraw/zinc/61/70/11/568617011.db2.gz	MPRRDJFDMGQWRA-IRLDBZIGSA-N	1	1	432.521	0.249	40	0		ICABMO
O=C(NC[C@]1(O)C[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O)c1cscn1	ZINC000585270602	568617063	/nfs/dbraw/zinc/61/70/63/568617063.db2.gz	NEMAQEOPLNKRQG-CTNGQTDRSA-N	1	1	443.529	0.756	40	0		ICABMO
COCCOc1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OC	ZINC000585270623	568617286	/nfs/dbraw/zinc/61/72/86/568617286.db2.gz	NRKZZYFKKLMKKJ-QUCCMNQESA-N	1	1	437.518	0.515	40	0		ICABMO
COCCOc1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OC	ZINC000585270623	568617285	/nfs/dbraw/zinc/61/72/85/568617285.db2.gz	NRKZZYFKKLMKKJ-QUCCMNQESA-N	1	1	437.518	0.515	40	0		ICABMO
Cn1ccnc1COc1ccc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1	ZINC000585270652	568617320	/nfs/dbraw/zinc/61/73/20/568617320.db2.gz	OEHRGUMQOHXALX-OFNKIYASSA-N	1	1	437.500	0.732	40	0		ICABMO
O=C(NC[C@]1(O)C[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1O)c1ccccn1	ZINC000585270741	568617258	/nfs/dbraw/zinc/61/72/58/568617258.db2.gz	ATTJRVISFWNJMS-GGAORHGYSA-N	1	1	426.517	0.251	40	0		ICABMO
CCOc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585270753	568617273	/nfs/dbraw/zinc/61/72/73/568617273.db2.gz	AXLPZAMBRSKRAB-SFTDATJTSA-N	1	1	435.565	0.674	40	0		ICABMO
COc1cc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585271344	568618135	/nfs/dbraw/zinc/61/81/35/568618135.db2.gz	FKEYISIDKNVUHV-HSZRJFAPSA-N	1	1	435.565	0.675	40	0		ICABMO
COc1cc(C[N@H+]2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585271345	568618181	/nfs/dbraw/zinc/61/81/81/568618181.db2.gz	FKEYISIDKNVUHV-QHCPKHFHSA-N	1	1	435.565	0.675	40	0		ICABMO
COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCCN3CCCC3=O)cc2)C[C@H]1O	ZINC000585271524	557213389	/nfs/dbraw/zinc/21/33/89/557213389.db2.gz	ZOONULKXVTVQEE-NFBKMPQASA-N	1	1	449.548	0.138	40	0		ICABMO
C[NH+](C)CCOc1ccc(CN2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)cc1	ZINC000585271758	557216375	/nfs/dbraw/zinc/21/63/75/557216375.db2.gz	HFSPMYLOGGUIPK-TZIWHRDSSA-N	1	1	434.562	0.811	40	0		ICABMO
CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(OCCN4CCOCC4)cc3)C[C@@H]2O)CC1	ZINC000585274196	557218537	/nfs/dbraw/zinc/21/85/37/557218537.db2.gz	UMQXWUMBOYQSBU-GOTSBHOMSA-N	1	1	432.565	0.107	40	0		ICABMO
O=C(NC[C@]1(O)C[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1O)c1cscn1	ZINC000585274459	568618426	/nfs/dbraw/zinc/61/84/26/568618426.db2.gz	XOKDZTZKFIDSRZ-CTNGQTDRSA-N	1	1	432.546	0.313	40	0		ICABMO
CC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1	ZINC000585282452	557221682	/nfs/dbraw/zinc/22/16/82/557221682.db2.gz	KIDQXRNXZJGLRK-PXNSSMCTSA-N	1	1	432.439	0.654	40	0		ICABMO
COCC(=O)N1CC[N@H+](C2CCN(C(C)=O)CC2)C[C@](O)(COc2cccc(F)c2)C1	ZINC000585282455	557221727	/nfs/dbraw/zinc/22/17/27/557221727.db2.gz	KIKWHZHQZYILPS-JOCHJYFZSA-N	1	1	437.512	0.737	40	0		ICABMO
COCC(=O)N1CC[N@H+](C2CCN(C(C)=O)CC2)C[C@@](O)(COc2cccc(F)c2)C1	ZINC000585282457	557221744	/nfs/dbraw/zinc/22/17/44/557221744.db2.gz	KIKWHZHQZYILPS-QFIPXVFZSA-N	1	1	437.512	0.737	40	0		ICABMO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1	ZINC000585282495	557221720	/nfs/dbraw/zinc/22/17/20/557221720.db2.gz	FDHLRZNSVZCATK-INIZCTEOSA-N	1	1	442.557	0.096	40	0		ICABMO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1	ZINC000585282498	557221675	/nfs/dbraw/zinc/22/16/75/557221675.db2.gz	FDHLRZNSVZCATK-MRXNPFEDSA-N	1	1	442.557	0.096	40	0		ICABMO
CC(=O)N1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@](O)(COc2cccc(F)c2)C1	ZINC000585282714	557222023	/nfs/dbraw/zinc/22/20/23/557222023.db2.gz	NCFWYPCWZDZFIV-FQEVSTJZSA-N	1	1	443.541	0.524	40	0		ICABMO
CC(=O)N1CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C[C@](O)(COc2cccc(F)c2)C1	ZINC000585282714	557222020	/nfs/dbraw/zinc/22/20/20/557222020.db2.gz	NCFWYPCWZDZFIV-FQEVSTJZSA-N	1	1	443.541	0.524	40	0		ICABMO
CC(=O)N1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@@](O)(COc2cccc(F)c2)C1	ZINC000585282718	557222156	/nfs/dbraw/zinc/22/21/56/557222156.db2.gz	NCFWYPCWZDZFIV-HXUWFJFHSA-N	1	1	443.541	0.524	40	0		ICABMO
CC(=O)N1CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C[C@@](O)(COc2cccc(F)c2)C1	ZINC000585282718	557222154	/nfs/dbraw/zinc/22/21/54/557222154.db2.gz	NCFWYPCWZDZFIV-HXUWFJFHSA-N	1	1	443.541	0.524	40	0		ICABMO
COCC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1	ZINC000585283083	557222354	/nfs/dbraw/zinc/22/23/54/557222354.db2.gz	PPNHVFRTUVYUPH-HSZRJFAPSA-N	1	1	436.549	0.745	40	0		ICABMO
COCC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1	ZINC000585283088	557222400	/nfs/dbraw/zinc/22/24/00/557222400.db2.gz	PPNHVFRTUVYUPH-QHCPKHFHSA-N	1	1	436.549	0.745	40	0		ICABMO
CC(=O)N1CCC(O)(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1	ZINC000585283104	557222501	/nfs/dbraw/zinc/22/25/01/557222501.db2.gz	PTWYNEOHQZACAW-DEOSSOPVSA-N	1	1	447.576	0.951	40	0		ICABMO
CC(=O)N1CCC(O)(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1	ZINC000585283107	557222345	/nfs/dbraw/zinc/22/23/45/557222345.db2.gz	PTWYNEOHQZACAW-XMMPIXPASA-N	1	1	447.576	0.951	40	0		ICABMO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C1	ZINC000585283259	557222896	/nfs/dbraw/zinc/22/28/96/557222896.db2.gz	MOHHQXDTWNOOSV-GOSISDBHSA-N	1	1	438.594	0.266	40	0		ICABMO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C1	ZINC000585283261	557222871	/nfs/dbraw/zinc/22/28/71/557222871.db2.gz	MOHHQXDTWNOOSV-SFHVURJKSA-N	1	1	438.594	0.266	40	0		ICABMO
COCC[NH+]1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1	ZINC000585283835	557223027	/nfs/dbraw/zinc/22/30/27/557223027.db2.gz	IAJYTXVNYRKLNA-FPOVZHCZSA-N	1	1	425.957	0.471	40	0		ICABMO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C1	ZINC000585283943	557223187	/nfs/dbraw/zinc/22/31/87/557223187.db2.gz	PTAGMXYEMPPSTD-GOSISDBHSA-N	1	1	438.594	0.266	40	0		ICABMO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C1	ZINC000585283946	557223488	/nfs/dbraw/zinc/22/34/88/557223488.db2.gz	PTAGMXYEMPPSTD-SFHVURJKSA-N	1	1	438.594	0.266	40	0		ICABMO
CCOC(=O)N1CCC(O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1	ZINC000585284112	557223385	/nfs/dbraw/zinc/22/33/85/557223385.db2.gz	VBAZPGQHEBXFMM-RXVVDRJESA-N	1	1	426.485	0.986	40	0		ICABMO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1	ZINC000585284640	557224124	/nfs/dbraw/zinc/22/41/24/557224124.db2.gz	UIAMLFJXOBPSOA-INIZCTEOSA-N	1	1	442.557	0.096	40	0		ICABMO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1	ZINC000585284642	557224245	/nfs/dbraw/zinc/22/42/45/557224245.db2.gz	UIAMLFJXOBPSOA-MRXNPFEDSA-N	1	1	442.557	0.096	40	0		ICABMO
COCC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	ZINC000585285863	557224844	/nfs/dbraw/zinc/22/48/44/557224844.db2.gz	DKXNIRJSGDHOFW-NRFANRHFSA-N	1	1	444.475	0.407	40	0		ICABMO
COCC(=O)N1CC[N@@H+](CC2(O)CCOCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1	ZINC000585285870	557224828	/nfs/dbraw/zinc/22/48/28/557224828.db2.gz	DKXNIRJSGDHOFW-OAQYLSRUSA-N	1	1	444.475	0.407	40	0		ICABMO
O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)[C@@H](O)C1	ZINC000585286301	557225242	/nfs/dbraw/zinc/22/52/42/557225242.db2.gz	POOCQJWFOPATRD-UGKGYDQZSA-N	1	1	445.951	0.819	40	0		ICABMO
O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000585286739	557225518	/nfs/dbraw/zinc/22/55/18/557225518.db2.gz	UOJRQBMOLBHQPJ-OFNKIYASSA-N	1	1	425.533	0.556	40	0		ICABMO
O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000585286835	557225662	/nfs/dbraw/zinc/22/56/62/557225662.db2.gz	VQRPBKGSEUDDCM-NQIIRXRSSA-N	1	1	431.924	0.890	40	0		ICABMO
CC(=O)N1CCC(O)(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1	ZINC000585287224	557225992	/nfs/dbraw/zinc/22/59/92/557225992.db2.gz	LBZMTVYQTPWZSY-DEOSSOPVSA-N	1	1	447.576	0.951	40	0		ICABMO
CC(=O)N1CCC(O)(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1	ZINC000585287225	557226331	/nfs/dbraw/zinc/22/63/31/557226331.db2.gz	LBZMTVYQTPWZSY-XMMPIXPASA-N	1	1	447.576	0.951	40	0		ICABMO
CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585288890	557226285	/nfs/dbraw/zinc/22/62/85/557226285.db2.gz	LBFHFIBOBFNVOO-GSEOLPGOSA-N	1	1	439.578	0.629	40	0		ICABMO
CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585288897	557226270	/nfs/dbraw/zinc/22/62/70/557226270.db2.gz	LBFHFIBOBFNVOO-IJXRJRJASA-N	1	1	439.578	0.629	40	0		ICABMO
O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)[C@@H](O)C1	ZINC000585289118	557226577	/nfs/dbraw/zinc/22/65/77/557226577.db2.gz	FBMKYTJRNGUJRQ-REWPJTCUSA-N	1	1	425.533	0.556	40	0		ICABMO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585289142	557226592	/nfs/dbraw/zinc/22/65/92/557226592.db2.gz	MYWZWPMPFOXUAG-GDAAHCPNSA-N	1	1	425.551	0.287	40	0		ICABMO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585289148	557226691	/nfs/dbraw/zinc/22/66/91/557226691.db2.gz	MYWZWPMPFOXUAG-QXCFHYIPSA-N	1	1	425.551	0.287	40	0		ICABMO
O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000585289426	557226572	/nfs/dbraw/zinc/22/65/72/557226572.db2.gz	FZNTZCIVOJFZKF-NQIIRXRSSA-N	1	1	431.924	0.429	40	0		ICABMO
COc1ccc(OCC[N@@H+](C)C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1	ZINC000585289507	557226667	/nfs/dbraw/zinc/22/66/67/557226667.db2.gz	JKSNPTXZUAIFKP-RTWAWAEBSA-N	1	1	436.530	0.802	40	0		ICABMO
O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCN(c3ncccn3)CC2)[C@@H](O)C1	ZINC000585290716	557227959	/nfs/dbraw/zinc/22/79/59/557227959.db2.gz	VCIVHIZGIMYLAA-RXVVDRJESA-N	1	1	431.924	0.890	40	0		ICABMO
Cc1cc(N2CCN(C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)nc(C)[nH+]1	ZINC000585290763	557227859	/nfs/dbraw/zinc/22/78/59/557227859.db2.gz	DTWWSSWZLYSION-CTNGQTDRSA-N	1	1	447.561	0.012	40	0		ICABMO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CC[NH+](CCc3ccccn3)CC2)C1	ZINC000585291242	557228615	/nfs/dbraw/zinc/22/86/15/557228615.db2.gz	MCFGTKLIQWOHDM-YADHBBJMSA-N	1	1	446.573	0.038	40	0		ICABMO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CC(c3[nH]nc4ncccc43)C2)C1	ZINC000585291348	557228634	/nfs/dbraw/zinc/22/86/34/557228634.db2.gz	NXTPDUCOAIBMOU-XLIONFOSSA-N	1	1	429.502	0.154	40	0		ICABMO
Cn1nc(C2C[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)C2)c2cccnc21	ZINC000585291568	557228973	/nfs/dbraw/zinc/22/89/73/557228973.db2.gz	RVTXMPVPZLTICY-NQIIRXRSSA-N	1	1	443.529	0.164	40	0		ICABMO
COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCN(C(C)=O)CC4)C3)C2)cc1	ZINC000604381950	557236843	/nfs/dbraw/zinc/23/68/43/557236843.db2.gz	WJNTXNJLWUYZDE-OAQYLSRUSA-N	1	1	442.560	0.917	40	0	biogenic,in-vitro	ICABMO
COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCN(C(C)=O)CC4)C3)C2)c1	ZINC000604382420	557237039	/nfs/dbraw/zinc/23/70/39/557237039.db2.gz	RPRQYLCAJYGYLL-OAQYLSRUSA-N	1	1	442.560	0.917	40	0	biogenic,in-vitro	ICABMO
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](C)C[C@H]21	ZINC001534612047	1071431962	/nfs/dbraw/zinc/43/19/62/1071431962.db2.gz	DIFXCEHZKVJMKU-SCTDSRPQSA-N	1	1	425.551	0.227	40	0		ICABMO
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](C)C[C@H]21	ZINC001534612047	1071431957	/nfs/dbraw/zinc/43/19/57/1071431957.db2.gz	DIFXCEHZKVJMKU-SCTDSRPQSA-N	1	1	425.551	0.227	40	0		ICABMO
CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cnn(C)c3)ccc1S(=O)(=O)NC[C@H](O)CN2C	ZINC001534613880	1071432904	/nfs/dbraw/zinc/43/29/04/1071432904.db2.gz	ZTTIAPJAPYCRTP-NSHGMRRFSA-N	1	1	449.577	0.513	40	0		ICABMO
COc1ccc(CN2[C@@H]3C[N@H+](C4CCN(C(C)=O)CC4)C[C@@H]3OCCS2(=O)=O)cc1	ZINC001534645843	1071433753	/nfs/dbraw/zinc/43/37/53/1071433753.db2.gz	KJCGOGZKIPCTPC-RTWAWAEBSA-N	1	1	437.562	0.921	40	0		ICABMO
CN1CCc2c(Br)c3c(c(OCC(=O)N4CC[NH+](C)CC4)c2C1=O)OCO3	ZINC001547138764	1072255955	/nfs/dbraw/zinc/25/59/55/1072255955.db2.gz	GNUADAAYNDAONT-UHFFFAOYSA-N	1	1	440.294	0.959	40	0		ICABMO
CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C)CC2)C12CN(S(C)(=O)=O)C2	ZINC001549167633	1072462488	/nfs/dbraw/zinc/46/24/88/1072462488.db2.gz	QOOAAWBBAISEIB-GOSISDBHSA-N	1	1	434.562	0.422	40	0		ICABMO
CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C)CC2)C12CN(S(C)(=O)=O)C2	ZINC001549167638	1072462613	/nfs/dbraw/zinc/46/26/13/1072462613.db2.gz	QOOAAWBBAISEIB-SFHVURJKSA-N	1	1	434.562	0.422	40	0		ICABMO
COCC(=O)N1CC2(C1)[C@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1C(=O)N2C(C)C	ZINC001549175046	1072462547	/nfs/dbraw/zinc/46/25/47/1072462547.db2.gz	XQUGLZRTOSSEEC-FQEVSTJZSA-N	1	1	428.533	0.636	40	0		ICABMO
COCC(=O)N1CC2(C1)[C@@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1C(=O)N2C(C)C	ZINC001549175056	1072462569	/nfs/dbraw/zinc/46/25/69/1072462569.db2.gz	XQUGLZRTOSSEEC-HXUWFJFHSA-N	1	1	428.533	0.636	40	0		ICABMO