smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699943	518826754	/nfs/dbraw/zinc/82/67/54/518826754.db2.gz	WXPYNLGDVBVYSK-SFHVURJKSA-N	1	3	370.497	1.710	40	0		FDABHO
C[N@H+](CC1CCN(Cc2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292032	551580179	/nfs/dbraw/zinc/58/01/79/551580179.db2.gz	VUSKLHZTXQTFOK-QRVBRYPASA-N	1	3	352.450	1.090	40	0		FDABHO
C[N@@H+](CC1CCN(Cc2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292032	551580182	/nfs/dbraw/zinc/58/01/82/551580182.db2.gz	VUSKLHZTXQTFOK-QRVBRYPASA-N	1	3	352.450	1.090	40	0		FDABHO
Cc1ccc(C[NH+]2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)cc1	ZINC000044913704	205114880	/nfs/dbraw/zinc/11/48/80/205114880.db2.gz	FFQJHSWYOKQSRI-UHFFFAOYSA-N	1	3	372.557	1.961	40	0		FDABHO
CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccccn3)C[C@H]21	ZINC000096185750	525150092	/nfs/dbraw/zinc/15/00/92/525150092.db2.gz	MRYDISGJVDJGBZ-QXAKKESOSA-N	1	3	359.518	1.043	40	0		FDABHO
CN1CCCC[C@]1(C)C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257276095	571157324	/nfs/dbraw/zinc/15/73/24/571157324.db2.gz	NSHYUPAXHFIQFY-SJORKVTESA-N	1	3	359.461	1.555	40	0		FDABHO
CN1CCCC[C@]1(C)C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276095	571157326	/nfs/dbraw/zinc/15/73/26/571157326.db2.gz	NSHYUPAXHFIQFY-SJORKVTESA-N	1	3	359.461	1.555	40	0		FDABHO
COc1cc(NC(=O)[C@@H](C)NC(=O)[C@H](N)CCCC[NH3+])cc2ccccc21	ZINC000001578627	204014147	/nfs/dbraw/zinc/01/41/47/204014147.db2.gz	NVFAVOGMBNAYET-CXAGYDPISA-N	1	3	372.469	1.748	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455915	204684392	/nfs/dbraw/zinc/68/43/92/204684392.db2.gz	OMKCYIINUUUFDC-HUUCEWRRSA-N	1	3	364.490	1.157	40	0		FDABHO
COCCN1CCN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1	ZINC000019593422	518821255	/nfs/dbraw/zinc/82/12/55/518821255.db2.gz	YGMMMOAMUQZKEQ-UHFFFAOYSA-N	1	3	357.502	1.794	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1	ZINC000072397264	522232268	/nfs/dbraw/zinc/23/22/68/522232268.db2.gz	GAHSAUULUXXIID-SJORKVTESA-N	1	3	371.529	1.902	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1	ZINC000072397264	522232272	/nfs/dbraw/zinc/23/22/72/522232272.db2.gz	GAHSAUULUXXIID-SJORKVTESA-N	1	3	371.529	1.902	40	0		FDABHO
CN1CCN(C[C@@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160305	525143839	/nfs/dbraw/zinc/14/38/39/525143839.db2.gz	FPIFWDXHACCGHB-LEWJYISDSA-N	1	3	359.514	1.684	40	0		FDABHO
CN1CCN(C[C@@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160305	525143845	/nfs/dbraw/zinc/14/38/45/525143845.db2.gz	FPIFWDXHACCGHB-LEWJYISDSA-N	1	3	359.514	1.684	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000012220701	518596573	/nfs/dbraw/zinc/59/65/73/518596573.db2.gz	VEMDVYBDOWZISY-SPYBWZPUSA-N	1	3	364.490	1.157	40	0		FDABHO
O=C1NCC[C@]12CN(Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096036349	209096320	/nfs/dbraw/zinc/09/63/20/209096320.db2.gz	VAKAIYVGNPDGPW-NRFANRHFSA-N	1	3	354.498	1.896	40	0		FDABHO
CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccncc3)C[C@H]21	ZINC000096064518	209107384	/nfs/dbraw/zinc/10/73/84/209107384.db2.gz	USEACMFJEDYUCQ-IPMKNSEASA-N	1	3	359.518	1.043	40	0		FDABHO
COc1cc(NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCCC[NH3+])cc2ccccc21	ZINC000001578629	518233236	/nfs/dbraw/zinc/23/32/36/518233236.db2.gz	NVFAVOGMBNAYET-DYVFJYSZSA-N	1	3	372.469	1.748	40	0		FDABHO
O[C@H]1CC[C@@H](Cc2cc(-c3ccccn3)on2)O[C@@H]1C[NH2+]C1CCNCC1	ZINC000077263113	208199293	/nfs/dbraw/zinc/19/92/93/208199293.db2.gz	ATXODTKISZYIKL-XKGZKEIXSA-N	1	3	372.469	1.529	40	0	biogenic,in-vitro	FDABHO
Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019697999	518826703	/nfs/dbraw/zinc/82/67/03/518826703.db2.gz	VASIHLVMCITSLB-GOSISDBHSA-N	1	3	357.502	1.559	40	0		FDABHO
CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1	ZINC000585289971	551579646	/nfs/dbraw/zinc/57/96/46/551579646.db2.gz	YKFYADVPUUGILL-RCCFBDPRSA-N	1	3	352.450	1.533	40	0		FDABHO
C[N@H+](CC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290791	551579812	/nfs/dbraw/zinc/57/98/12/551579812.db2.gz	FYPCWHBYFQGVLE-QRVBRYPASA-N	1	3	352.450	1.090	40	0		FDABHO
C[N@@H+](CC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290791	551579815	/nfs/dbraw/zinc/57/98/15/551579815.db2.gz	FYPCWHBYFQGVLE-QRVBRYPASA-N	1	3	352.450	1.090	40	0		FDABHO
CN1CCCC[C@]1(C)C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257276093	571157165	/nfs/dbraw/zinc/15/71/65/571157165.db2.gz	NSHYUPAXHFIQFY-IAGOWNOFSA-N	1	3	359.461	1.555	40	0		FDABHO
CN1CCCC[C@]1(C)C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276093	571157167	/nfs/dbraw/zinc/15/71/67/571157167.db2.gz	NSHYUPAXHFIQFY-IAGOWNOFSA-N	1	3	359.461	1.555	40	0		FDABHO
CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1	ZINC000257231945	571152352	/nfs/dbraw/zinc/15/23/52/571152352.db2.gz	GIUPTAVVBZZZGL-OAQYLSRUSA-N	1	3	374.529	1.647	40	0		FDABHO
COc1cc(NC(=O)[C@H](C)NC(=O)[C@H](N)CCCC[NH3+])cc2ccccc21	ZINC000001578626	210359665	/nfs/dbraw/zinc/35/96/65/210359665.db2.gz	NVFAVOGMBNAYET-SUMWQHHRSA-N	1	3	372.469	1.748	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@H]2c1cccnc1	ZINC000009265088	518501208	/nfs/dbraw/zinc/50/12/08/518501208.db2.gz	ZSLPISOHWZAGGZ-QGZVFWFLSA-N	1	3	367.457	1.351	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@H]2c1cccnc1	ZINC000009265088	518501214	/nfs/dbraw/zinc/50/12/14/518501214.db2.gz	ZSLPISOHWZAGGZ-QGZVFWFLSA-N	1	3	367.457	1.351	40	0		FDABHO
CN1CCCC[C@@]1(C)C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257276092	571157152	/nfs/dbraw/zinc/15/71/52/571157152.db2.gz	NSHYUPAXHFIQFY-DLBZAZTESA-N	1	3	359.461	1.555	40	0		FDABHO
CN1CCCC[C@@]1(C)C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276092	571157154	/nfs/dbraw/zinc/15/71/54/571157154.db2.gz	NSHYUPAXHFIQFY-DLBZAZTESA-N	1	3	359.461	1.555	40	0		FDABHO
C[NH+](C)CCOc1cccc(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1	ZINC000585292212	551580545	/nfs/dbraw/zinc/58/05/45/551580545.db2.gz	GEBBWIODTALGAM-YPAWHYETSA-N	1	3	370.493	1.948	40	0		FDABHO
CN(C)CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1	ZINC000585292212	551580549	/nfs/dbraw/zinc/58/05/49/551580549.db2.gz	GEBBWIODTALGAM-YPAWHYETSA-N	1	3	370.493	1.948	40	0		FDABHO
CN(C)CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1	ZINC000585292212	551580550	/nfs/dbraw/zinc/58/05/50/551580550.db2.gz	GEBBWIODTALGAM-YPAWHYETSA-N	1	3	370.493	1.948	40	0		FDABHO
CN1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699942	211247372	/nfs/dbraw/zinc/24/73/72/211247372.db2.gz	WXPYNLGDVBVYSK-GOSISDBHSA-N	1	3	370.497	1.710	40	0		FDABHO
CN1CCCC[C@@]1(C)C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257276094	571157224	/nfs/dbraw/zinc/15/72/24/571157224.db2.gz	NSHYUPAXHFIQFY-IRXDYDNUSA-N	1	3	359.461	1.555	40	0		FDABHO
CN1CCCC[C@@]1(C)C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276094	571157227	/nfs/dbraw/zinc/15/72/27/571157227.db2.gz	NSHYUPAXHFIQFY-IRXDYDNUSA-N	1	3	359.461	1.555	40	0		FDABHO
CN1CCN(C[C@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160311	222059425	/nfs/dbraw/zinc/05/94/25/222059425.db2.gz	FPIFWDXHACCGHB-RTWAWAEBSA-N	1	3	359.514	1.684	40	0		FDABHO
CN1CCN(C[C@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160311	222059428	/nfs/dbraw/zinc/05/94/28/222059428.db2.gz	FPIFWDXHACCGHB-RTWAWAEBSA-N	1	3	359.514	1.684	40	0		FDABHO
C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1	ZINC000072394720	522232226	/nfs/dbraw/zinc/23/22/26/522232226.db2.gz	ZKDGKJDMLMKKAY-RTBURBONSA-N	1	3	353.466	1.908	40	0		FDABHO
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1	ZINC000072394723	522232379	/nfs/dbraw/zinc/23/23/79/522232379.db2.gz	ZKDGKJDMLMKKAY-OALUTQOASA-N	1	3	353.466	1.908	40	0		FDABHO
O=C(CN1CCCCCC1)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21	ZINC000019346761	211215931	/nfs/dbraw/zinc/21/59/31/211215931.db2.gz	JWAUMHDTKBXJLO-MRXNPFEDSA-N	1	3	370.501	1.500	40	0		FDABHO
COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1	ZINC000257257603	533541121	/nfs/dbraw/zinc/54/11/21/533541121.db2.gz	KQJFWECOQOODCC-FQEVSTJZSA-N	1	3	363.502	1.608	40	0		FDABHO
COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1	ZINC000257257603	533541130	/nfs/dbraw/zinc/54/11/30/533541130.db2.gz	KQJFWECOQOODCC-FQEVSTJZSA-N	1	3	363.502	1.608	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000012220703	518597177	/nfs/dbraw/zinc/59/71/77/518597177.db2.gz	VEMDVYBDOWZISY-CLCXKQKWSA-N	1	3	364.490	1.157	40	0		FDABHO
C[NH+]1CCC(N2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)CC1	ZINC000604381848	553870055	/nfs/dbraw/zinc/87/00/55/553870055.db2.gz	RLPYIOHCXSPNNP-OAQYLSRUSA-N	1	3	370.541	1.352	40	0	biogenic,in-vitro	FDABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)n1	ZINC000329018771	210130146	/nfs/dbraw/zinc/13/01/46/210130146.db2.gz	NSEOGKOIJMBMJA-UHFFFAOYSA-N	1	3	368.529	1.763	40	0		FDABHO
O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCCN1CCCC1	ZINC000096220545	222083982	/nfs/dbraw/zinc/08/39/82/222083982.db2.gz	AYLOOUVNFTXOLW-XUVXKRRUSA-N	1	3	357.498	1.878	40	0		FDABHO
O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCCN1CCCC1	ZINC000096220545	222083985	/nfs/dbraw/zinc/08/39/85/222083985.db2.gz	AYLOOUVNFTXOLW-XUVXKRRUSA-N	1	3	357.498	1.878	40	0		FDABHO
O=c1c2c(nc3n1CC1(C3)CC[NH2+]CC1)CCN(Cc1ccccc1)C2	ZINC000306142374	223112710	/nfs/dbraw/zinc/11/27/10/223112710.db2.gz	WXZHVROZBPQAIF-UHFFFAOYSA-N	1	3	350.466	1.728	40	0		FDABHO
C[C@@H](CN(C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455913	220258806	/nfs/dbraw/zinc/25/88/06/220258806.db2.gz	OMKCYIINUUUFDC-LSDHHAIUSA-N	1	3	364.490	1.157	40	0		FDABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)n1	ZINC000328957086	223126497	/nfs/dbraw/zinc/12/64/97/223126497.db2.gz	AJCXVAGFYYMYJB-UHFFFAOYSA-N	1	3	369.517	1.158	40	0		FDABHO
CN1CCN(C[C@@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160309	222060142	/nfs/dbraw/zinc/06/01/42/222060142.db2.gz	FPIFWDXHACCGHB-SFTDATJTSA-N	1	3	359.514	1.684	40	0		FDABHO
CN1CCN(C[C@@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160309	222060146	/nfs/dbraw/zinc/06/01/46/222060146.db2.gz	FPIFWDXHACCGHB-SFTDATJTSA-N	1	3	359.514	1.684	40	0		FDABHO
CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1	ZINC000257231944	528861265	/nfs/dbraw/zinc/86/12/65/528861265.db2.gz	GIUPTAVVBZZZGL-NRFANRHFSA-N	1	3	374.529	1.647	40	0		FDABHO
COc1ccccc1CN1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1	ZINC000019570040	220274771	/nfs/dbraw/zinc/27/47/71/220274771.db2.gz	VGQXWXNINCWXSM-OAHLLOKOSA-N	1	3	352.442	1.783	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000248022916	537163378	/nfs/dbraw/zinc/16/33/78/537163378.db2.gz	VEMDVYBDOWZISY-ZRGWGRIASA-N	1	3	364.490	1.157	40	0		FDABHO
COC[C@@H]1CC2(CN1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2	ZINC000096217474	222082752	/nfs/dbraw/zinc/08/27/52/222082752.db2.gz	OZSCGBYQZUKJMN-KRWDZBQOSA-N	1	3	353.507	1.057	40	0		FDABHO
O=C1NCC[C@@]12CN(Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096036348	525125520	/nfs/dbraw/zinc/12/55/20/525125520.db2.gz	VAKAIYVGNPDGPW-OAQYLSRUSA-N	1	3	354.498	1.896	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000248022911	537163261	/nfs/dbraw/zinc/16/32/61/537163261.db2.gz	VEMDVYBDOWZISY-VCBZYWHSSA-N	1	3	364.490	1.157	40	0		FDABHO
COc1ccccc1CN1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1	ZINC000019570044	220274764	/nfs/dbraw/zinc/27/47/64/220274764.db2.gz	VGQXWXNINCWXSM-HNNXBMFYSA-N	1	3	352.442	1.783	40	0		FDABHO
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@H]1c1nnc2n1CCNCC2	ZINC000019710631	220288497	/nfs/dbraw/zinc/28/84/97/220288497.db2.gz	LGFIZPAGFWFAFY-KRWDZBQOSA-N	1	3	374.533	1.744	40	0		FDABHO
CN(C)CCN1CC[C@]2(C[N@@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201883	222074701	/nfs/dbraw/zinc/07/47/01/222074701.db2.gz	CWIYFXSQUQAHJL-IRFCIJBXSA-N	1	3	357.498	1.655	40	0		FDABHO
CN(C)CCN1CC[C@]2(C[N@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201883	222074705	/nfs/dbraw/zinc/07/47/05/222074705.db2.gz	CWIYFXSQUQAHJL-IRFCIJBXSA-N	1	3	357.498	1.655	40	0		FDABHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCC(=O)Nc2cccnc2)c1	ZINC000001716435	534961449	/nfs/dbraw/zinc/96/14/49/534961449.db2.gz	ZNEMTJUMFDMPNL-UHFFFAOYSA-N	1	3	365.441	1.838	40	0		FDABHO
CCCCN1c2ccccc2[C@@]2(N=C(N3CCCCC3)NC(=[NH2+])N2)C1=O	ZINC000019330867	206326394	/nfs/dbraw/zinc/32/63/94/206326394.db2.gz	MWHRSYVXPYLSMF-LJQANCHMSA-N	1	3	354.458	1.746	40	0		FDABHO
C[NH+](C)CCO[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN2C1	ZINC000096183172	525146651	/nfs/dbraw/zinc/14/66/51/525146651.db2.gz	FNWGVZYKKHABMS-DLBZAZTESA-N	1	3	351.878	1.817	40	0		FDABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccn2)n1	ZINC000329008533	571107129	/nfs/dbraw/zinc/10/71/29/571107129.db2.gz	LSQBOQRYQCQJHR-UHFFFAOYSA-N	1	3	369.517	1.158	40	0		FDABHO
COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1	ZINC000257257604	571155119	/nfs/dbraw/zinc/15/51/19/571155119.db2.gz	KQJFWECOQOODCC-HXUWFJFHSA-N	1	3	363.502	1.608	40	0		FDABHO
COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)C(C)(C)N)CC2)cc1	ZINC000257257604	571155120	/nfs/dbraw/zinc/15/51/20/571155120.db2.gz	KQJFWECOQOODCC-HXUWFJFHSA-N	1	3	363.502	1.608	40	0		FDABHO
C[C@H]1CCCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000004895362	206182008	/nfs/dbraw/zinc/18/20/08/206182008.db2.gz	URXLDHINOKWZPK-ROUUACIJSA-N	1	3	364.534	1.406	40	0		FDABHO
C[C@H]1CCCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C)CC1	ZINC000004895362	206182011	/nfs/dbraw/zinc/18/20/11/206182011.db2.gz	URXLDHINOKWZPK-ROUUACIJSA-N	1	3	364.534	1.406	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1	ZINC000019496503	518812938	/nfs/dbraw/zinc/81/29/38/518812938.db2.gz	GAHSAUULUXXIID-DLBZAZTESA-N	1	3	371.529	1.902	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1	ZINC000019496503	518812947	/nfs/dbraw/zinc/81/29/47/518812947.db2.gz	GAHSAUULUXXIID-DLBZAZTESA-N	1	3	371.529	1.902	40	0		FDABHO
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(Cc1ccco1)CCC2	ZINC000096055932	525128069	/nfs/dbraw/zinc/12/80/69/525128069.db2.gz	CQJAMEMENPYHAS-PXNSSMCTSA-N	1	3	363.502	1.918	40	0		FDABHO
CN1CCN(C[C@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160307	525144729	/nfs/dbraw/zinc/14/47/29/525144729.db2.gz	FPIFWDXHACCGHB-NHCUHLMSSA-N	1	3	359.514	1.684	40	0		FDABHO
CN1CCN(C[C@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160307	525144736	/nfs/dbraw/zinc/14/47/36/525144736.db2.gz	FPIFWDXHACCGHB-NHCUHLMSSA-N	1	3	359.514	1.684	40	0		FDABHO
CCCCN1c2ccccc2[C@]2(N=C(N3CCCCC3)NC(=[NH2+])N2)C1=O	ZINC000019330871	206326302	/nfs/dbraw/zinc/32/63/02/206326302.db2.gz	MWHRSYVXPYLSMF-IBGZPJMESA-N	1	3	354.458	1.746	40	0		FDABHO
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1	ZINC000072394721	522232465	/nfs/dbraw/zinc/23/24/65/522232465.db2.gz	ZKDGKJDMLMKKAY-RBUKOAKNSA-N	1	3	353.466	1.908	40	0		FDABHO
O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCCN1CCCC1	ZINC000096220792	525151534	/nfs/dbraw/zinc/15/15/34/525151534.db2.gz	AYLOOUVNFTXOLW-SLFFLAALSA-N	1	3	357.498	1.878	40	0		FDABHO
O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCCN1CCCC1	ZINC000096220792	525151543	/nfs/dbraw/zinc/15/15/43/525151543.db2.gz	AYLOOUVNFTXOLW-SLFFLAALSA-N	1	3	357.498	1.878	40	0		FDABHO
CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCCN(C)C)no1	ZINC000015673353	518730363	/nfs/dbraw/zinc/73/03/63/518730363.db2.gz	LMBLAROLURFRID-HOTGVXAUSA-N	1	3	350.507	1.853	40	0	biogenic,in-vitro	FDABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329022684	571107671	/nfs/dbraw/zinc/10/76/71/571107671.db2.gz	OPPLLKVNYQASMT-UHFFFAOYSA-N	1	3	360.428	1.114	40	0		FDABHO
O=C(CN1CCCCCC1)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1	ZINC000072370882	522225750	/nfs/dbraw/zinc/22/57/50/522225750.db2.gz	QREZMHQCRVMBCH-MRXNPFEDSA-N	1	3	360.506	1.006	40	0		FDABHO
C[C@@H]1CCCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C)CC1	ZINC000004489277	518299531	/nfs/dbraw/zinc/29/95/31/518299531.db2.gz	URXLDHINOKWZPK-QZTJIDSGSA-N	1	3	364.534	1.406	40	0		FDABHO
C[C@@H]1CCCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C)CC1	ZINC000004489277	518299539	/nfs/dbraw/zinc/29/95/39/518299539.db2.gz	URXLDHINOKWZPK-QZTJIDSGSA-N	1	3	364.534	1.406	40	0		FDABHO
O=C(C1CC[NH2+]CC1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257277470	571157180	/nfs/dbraw/zinc/15/71/80/571157180.db2.gz	NYCOMGIXTNIJLO-QGZVFWFLSA-N	1	3	359.461	1.461	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1	ZINC000072397265	522231519	/nfs/dbraw/zinc/23/15/19/522231519.db2.gz	GAHSAUULUXXIID-IRXDYDNUSA-N	1	3	371.529	1.902	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1	ZINC000072397265	522231531	/nfs/dbraw/zinc/23/15/31/522231531.db2.gz	GAHSAUULUXXIID-IRXDYDNUSA-N	1	3	371.529	1.902	40	0		FDABHO
COC(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C(=O)c1ccc(CC[NH3+])cc1	ZINC000257290477	571158737	/nfs/dbraw/zinc/15/87/37/571158737.db2.gz	QDCMUIQQFNOYHD-QYZOEREBSA-N	1	3	367.449	1.644	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@H]2c1ccccc1	ZINC000009289399	518501879	/nfs/dbraw/zinc/50/18/79/518501879.db2.gz	QXCQHEMXBGGWCT-GOSISDBHSA-N	1	3	366.469	1.956	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@H]2c1ccccc1	ZINC000009289399	518501887	/nfs/dbraw/zinc/50/18/87/518501887.db2.gz	QXCQHEMXBGGWCT-GOSISDBHSA-N	1	3	366.469	1.956	40	0		FDABHO
CN(C)CCN1CC[C@]2(C[N@@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201882	209133191	/nfs/dbraw/zinc/13/31/91/209133191.db2.gz	CWIYFXSQUQAHJL-SVFBPWRDSA-N	1	3	357.498	1.655	40	0		FDABHO
CN(C)CCN1CC[C@]2(C[N@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201882	209133196	/nfs/dbraw/zinc/13/31/96/209133196.db2.gz	CWIYFXSQUQAHJL-SVFBPWRDSA-N	1	3	357.498	1.655	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@@H]2c1cccnc1	ZINC000009265085	518500661	/nfs/dbraw/zinc/50/06/61/518500661.db2.gz	ZSLPISOHWZAGGZ-KRWDZBQOSA-N	1	3	367.457	1.351	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@@H]2c1cccnc1	ZINC000009265085	518500671	/nfs/dbraw/zinc/50/06/71/518500671.db2.gz	ZSLPISOHWZAGGZ-KRWDZBQOSA-N	1	3	367.457	1.351	40	0		FDABHO
C[C@H](CN(C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455919	518812358	/nfs/dbraw/zinc/81/23/58/518812358.db2.gz	OMKCYIINUUUFDC-CABCVRRESA-N	1	3	364.490	1.157	40	0		FDABHO
Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019697998	518826261	/nfs/dbraw/zinc/82/62/61/518826261.db2.gz	VASIHLVMCITSLB-SFHVURJKSA-N	1	3	357.502	1.559	40	0		FDABHO
C[C@@H](CN(C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455917	211224358	/nfs/dbraw/zinc/22/43/58/211224358.db2.gz	OMKCYIINUUUFDC-GJZGRUSLSA-N	1	3	364.490	1.157	40	0		FDABHO
Cc1cccc(C[NH+]2CCC(C(=O)NCCCN3CCN(C)CC3)CC2)c1	ZINC000044913701	522019130	/nfs/dbraw/zinc/01/91/30/522019130.db2.gz	MDHYXQGWHLQKJY-UHFFFAOYSA-N	1	3	372.557	1.961	40	0		FDABHO
COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OCCC[NH+](C)C	ZINC000257201162	570627094	/nfs/dbraw/zinc/62/70/94/570627094.db2.gz	AGOCZSKDUGRVBR-IRXDYDNUSA-N	1	3	351.491	1.132	40	0		FDABHO
COC[C@H]1CC2(CN1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2	ZINC000096217472	222081597	/nfs/dbraw/zinc/08/15/97/222081597.db2.gz	OZSCGBYQZUKJMN-QGZVFWFLSA-N	1	3	353.507	1.057	40	0		FDABHO
CN(C)C(=O)[C@@]12CCC3(CCN(Cc4cnn(C)c4)CC3)[C@@H]1C[N@H+](C)C2	ZINC000097952833	222217673	/nfs/dbraw/zinc/21/76/73/222217673.db2.gz	OAUFTIGUYBJIMP-FXAWDEMLSA-N	1	3	359.518	1.432	40	0		FDABHO
CN(C)C(=O)[C@@]12CCC3(CCN(Cc4cnn(C)c4)CC3)[C@@H]1C[N@@H+](C)C2	ZINC000097952833	222217674	/nfs/dbraw/zinc/21/76/74/222217674.db2.gz	OAUFTIGUYBJIMP-FXAWDEMLSA-N	1	3	359.518	1.432	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1	ZINC000019496502	518813104	/nfs/dbraw/zinc/81/31/04/518813104.db2.gz	GAHSAUULUXXIID-IAGOWNOFSA-N	1	3	371.529	1.902	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1	ZINC000019496502	518813109	/nfs/dbraw/zinc/81/31/09/518813109.db2.gz	GAHSAUULUXXIID-IAGOWNOFSA-N	1	3	371.529	1.902	40	0		FDABHO
COc1cccc(CN2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019564740	211233841	/nfs/dbraw/zinc/23/38/41/211233841.db2.gz	HFFOXCDTMBBQSS-HNNXBMFYSA-N	1	3	352.442	1.783	40	0		FDABHO
CN(C)CCNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12	ZINC000306127371	210050419	/nfs/dbraw/zinc/05/04/19/210050419.db2.gz	FWWNXMMAOYFZOZ-UHFFFAOYSA-N	1	3	368.485	1.656	40	0		FDABHO
O=C(C1CC[NH2+]CC1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257277469	223048364	/nfs/dbraw/zinc/04/83/64/223048364.db2.gz	NYCOMGIXTNIJLO-KRWDZBQOSA-N	1	3	359.461	1.461	40	0		FDABHO
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CCNCC2	ZINC000019710630	211247301	/nfs/dbraw/zinc/24/73/01/211247301.db2.gz	LGFIZPAGFWFAFY-QGZVFWFLSA-N	1	3	374.533	1.744	40	0		FDABHO
CCN(CC)CCn1c2ccccc2c(=O)n(CC[NH+](CC)CC)c1=O	ZINC000001608633	210361525	/nfs/dbraw/zinc/36/15/25/210361525.db2.gz	AXDCLGFGKORUQH-UHFFFAOYSA-N	1	3	360.502	1.847	40	0		FDABHO
C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1	ZINC000072394722	522230475	/nfs/dbraw/zinc/23/04/75/522230475.db2.gz	ZKDGKJDMLMKKAY-MOPGFXCFSA-N	1	3	353.466	1.908	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)CC2)C1	ZINC000013084594	220057452	/nfs/dbraw/zinc/05/74/52/220057452.db2.gz	PXZFTQIYTKXVSW-QZTJIDSGSA-N	1	3	364.534	1.121	40	0		FDABHO
C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)C3)CC2)C1	ZINC000013084594	220057454	/nfs/dbraw/zinc/05/74/54/220057454.db2.gz	PXZFTQIYTKXVSW-QZTJIDSGSA-N	1	3	364.534	1.121	40	0		FDABHO
COc1ccc(CN2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1	ZINC000019554905	220272043	/nfs/dbraw/zinc/27/20/43/220272043.db2.gz	KUSZROZRACRELO-HNNXBMFYSA-N	1	3	352.442	1.783	40	0		FDABHO
COc1ccc(CN2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1	ZINC000019554901	220271857	/nfs/dbraw/zinc/27/18/57/220271857.db2.gz	KUSZROZRACRELO-OAHLLOKOSA-N	1	3	352.442	1.783	40	0		FDABHO
COc1cccc(CN2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019564736	220273993	/nfs/dbraw/zinc/27/39/93/220273993.db2.gz	HFFOXCDTMBBQSS-OAHLLOKOSA-N	1	3	352.442	1.783	40	0		FDABHO
O=C(CN1CCCCCC1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21	ZINC000019346763	220251609	/nfs/dbraw/zinc/25/16/09/220251609.db2.gz	JWAUMHDTKBXJLO-INIZCTEOSA-N	1	3	370.501	1.500	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC2)C1	ZINC000004895370	518316495	/nfs/dbraw/zinc/31/64/95/518316495.db2.gz	PXZFTQIYTKXVSW-ROUUACIJSA-N	1	3	364.534	1.121	40	0		FDABHO
C[C@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)C1	ZINC000004895370	518316502	/nfs/dbraw/zinc/31/65/02/518316502.db2.gz	PXZFTQIYTKXVSW-ROUUACIJSA-N	1	3	364.534	1.121	40	0		FDABHO
Cc1ccccc1C[NH+]1CCC(C(=O)NCCCN2CCN(C)CC2)CC1	ZINC000044913698	522017875	/nfs/dbraw/zinc/01/78/75/522017875.db2.gz	HRNSZOGXOYJVBA-UHFFFAOYSA-N	1	3	372.557	1.961	40	0		FDABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)n1	ZINC000329012094	223129059	/nfs/dbraw/zinc/12/90/59/223129059.db2.gz	MJFZHMYPUAXBGV-UHFFFAOYSA-N	1	3	369.517	1.158	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@@H]2c1ccccc1	ZINC000009289396	518501646	/nfs/dbraw/zinc/50/16/46/518501646.db2.gz	QXCQHEMXBGGWCT-SFHVURJKSA-N	1	3	366.469	1.956	40	0		FDABHO
Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@@H]2c1ccccc1	ZINC000009289396	518501652	/nfs/dbraw/zinc/50/16/52/518501652.db2.gz	QXCQHEMXBGGWCT-SFHVURJKSA-N	1	3	366.469	1.956	40	0		FDABHO
O=C(CN1CCCCCC1)N1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1	ZINC000072370883	522224441	/nfs/dbraw/zinc/22/44/41/522224441.db2.gz	QREZMHQCRVMBCH-INIZCTEOSA-N	1	3	360.506	1.006	40	0		FDABHO