smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)Nc1ccccc1 ZINC000077265083 202391169 /nfs/dbraw/zinc/39/11/69/202391169.db2.gz KIRBKHFEJXLHOS-OAGGEKHMSA-N 0 3 335.404 0.705 40 0 biogenic,in-vitro ECABHN CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218192108 241303430 /nfs/dbraw/zinc/30/34/30/241303430.db2.gz IDFMGVMICDREKX-WDEREUQCSA-N 0 3 333.251 0.863 40 0 ECABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000257240343 244241769 /nfs/dbraw/zinc/24/17/69/244241769.db2.gz HTBSLQRSDYLOLD-NCOADZHNSA-N 0 3 344.415 0.661 40 0 ECABHN Cc1noc(C)c1-c1cc(CC[C@@H]2CN(C(=O)CN)CCO2)ncn1 ZINC000257249297 244266807 /nfs/dbraw/zinc/26/68/07/244266807.db2.gz JHOZLRDUGGJQNT-CQSZACIVSA-N 0 3 345.403 0.867 40 0 ECABHN Cc1nccn1CC(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257274179 244388651 /nfs/dbraw/zinc/38/86/51/244388651.db2.gz NJWNLBAZINRSLJ-OAHLLOKOSA-N 0 3 342.390 0.886 40 0 ECABHN CC(C)[C@@H](N)C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000012366432 279870849 /nfs/dbraw/zinc/87/08/49/279870849.db2.gz RPSDDDUHCQNFCQ-LBTNJELSSA-N 0 3 329.400 0.813 40 0 ECABHN C[C@@H](C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2)N1CCOCC1 ZINC000019078820 436105648 /nfs/dbraw/zinc/10/56/48/436105648.db2.gz FRZSXXOOYYVGBR-BBRMVZONSA-N 0 3 345.447 0.507 40 0 ECABHN CN(Cc1ccco1)C[C@@H]1Cn2ccnc2CN(S(C)(=O)=O)C1 ZINC000096188692 436520380 /nfs/dbraw/zinc/52/03/80/436520380.db2.gz IOUIEIVUILDTEE-CYBMUJFWSA-N 0 3 338.433 1.000 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CCOC2)C1 ZINC000096188994 436520717 /nfs/dbraw/zinc/52/07/17/436520717.db2.gz VKJIHZGHDXJXAO-GJZGRUSLSA-N 0 3 336.436 0.456 40 0 ECABHN CCOc1ccc([C@H](N)c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095534256 436499664 /nfs/dbraw/zinc/49/96/64/436499664.db2.gz UTXQHHLYYLYOOW-AWEZNQCLSA-N 0 3 329.364 0.900 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(Cc1cnn(C)c1)CCC2 ZINC000096058823 436507957 /nfs/dbraw/zinc/50/79/57/436507957.db2.gz ANFMJXOPWVFMSI-UHFFFAOYSA-N 0 3 333.440 0.496 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC000096067611 436510650 /nfs/dbraw/zinc/51/06/50/436510650.db2.gz ILRZYXTVSWWRLT-HOCLYGCPSA-N 0 3 333.432 0.562 40 0 ECABHN CN1CCN(C(=O)CCN2CCc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257283998 436861896 /nfs/dbraw/zinc/86/18/96/436861896.db2.gz PAUWPDPEKITQHE-HNNXBMFYSA-N 0 3 330.432 0.315 40 0 ECABHN O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cccnc1 ZINC000257293213 436864801 /nfs/dbraw/zinc/86/48/01/436864801.db2.gz QOOLGTOIOYOPGQ-RBSFLKMASA-N 0 3 325.434 0.738 40 0 ECABHN Cc1ccnn1CCC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257311649 436869143 /nfs/dbraw/zinc/86/91/43/436869143.db2.gz UKLOBTNBWVEEGA-IRXDYDNUSA-N 0 3 349.479 0.181 40 0 ECABHN CN(CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1)C1CCCC1 ZINC000257329367 436871959 /nfs/dbraw/zinc/87/19/59/436871959.db2.gz XJRJLZWCEJFBNV-QGZVFWFLSA-N 0 3 333.436 0.408 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306126569 437165869 /nfs/dbraw/zinc/16/58/69/437165869.db2.gz DZCVFYQEMCLMAB-KGLIPLIRSA-N 0 3 338.415 0.870 40 0 ECABHN OCCCN1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290332 438813302 /nfs/dbraw/zinc/81/33/02/438813302.db2.gz XLYWOOZQUNOQJD-RBUKOAKNSA-N 0 3 345.487 0.417 40 0 biogenic,in-vitro ECABHN CN(C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585290495 439642095 /nfs/dbraw/zinc/64/20/95/439642095.db2.gz XENUDIUBXHGJOT-XDIASTCQSA-N 0 3 325.453 0.225 40 0 ECABHN Cc1cccc(CNC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)n1 ZINC000019747581 202017894 /nfs/dbraw/zinc/01/78/94/202017894.db2.gz WAXMXIQBSLKLGR-UHFFFAOYSA-N 0 3 330.432 0.806 40 0 ECABHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccccc1 ZINC000019818036 202022648 /nfs/dbraw/zinc/02/26/48/202022648.db2.gz ICYGTKXWRYSLGX-UONOGXRCSA-N 0 3 330.388 0.250 40 0 ECABHN Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC3CCC3)[C@@H]2O)cc1 ZINC000077264702 202391148 /nfs/dbraw/zinc/39/11/48/202391148.db2.gz WIVNZFDHFRFQBG-OAGGEKHMSA-N 0 3 340.445 0.544 40 0 biogenic,in-vitro ECABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)Cn1c(C)nc2ccccc21 ZINC000257203493 244128105 /nfs/dbraw/zinc/12/81/05/244128105.db2.gz AQIHBNADZDWPHG-OCCSQVGLSA-N 0 3 329.404 0.137 40 0 ECABHN CCCn1ccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257219100 244176939 /nfs/dbraw/zinc/17/69/39/244176939.db2.gz DFOOQDVYZLDVBK-IRXDYDNUSA-N 0 3 349.479 0.506 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)C3CCOCC3)CC[C@@H]2O)CC1 ZINC000257236251 244228744 /nfs/dbraw/zinc/22/87/44/244228744.db2.gz HBIVWICWQSORNO-HOTGVXAUSA-N 0 3 325.453 0.012 40 0 ECABHN O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224268 304446603 /nfs/dbraw/zinc/44/66/03/304446603.db2.gz ZFAHRDOLYBLJPI-QFBILLFUSA-N 0 3 349.475 0.960 40 0 ECABHN CN(C)CCN1CC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1=O ZINC000096073956 289156358 /nfs/dbraw/zinc/15/63/58/289156358.db2.gz HXIGSJMTTVUQMC-KRWDZBQOSA-N 0 3 331.420 0.493 40 0 ECABHN CC(C)[C@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 ZINC000012220099 436049133 /nfs/dbraw/zinc/04/91/33/436049133.db2.gz VRVVUSMLXLYWKO-YEWDVWPNSA-N 0 3 344.415 0.569 40 0 ECABHN CN(C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000096188825 436521753 /nfs/dbraw/zinc/52/17/53/436521753.db2.gz HBKOFUPUYRMNDR-CQSZACIVSA-N 0 3 331.420 0.786 40 0 ECABHN COc1ncccc1CN1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096038651 436504539 /nfs/dbraw/zinc/50/45/39/436504539.db2.gz NLVDUIFWHMCCKT-BZUAXINKSA-N 0 3 347.415 0.949 40 0 ECABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2cccnc2)C3)cn1 ZINC000096061021 436508223 /nfs/dbraw/zinc/50/82/23/436508223.db2.gz DZHZQLISNMOYDL-CQSZACIVSA-N 0 3 325.376 0.762 40 0 ECABHN Cc1noc(C)c1CNC[C@H]1Cn2nnc(-c3ccnn3C)c2CO1 ZINC000096069331 436510254 /nfs/dbraw/zinc/51/02/54/436510254.db2.gz DKYAVMPGYKNFDF-LBPRGKRZSA-N 0 3 343.391 0.972 40 0 ECABHN Cn1cc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)cn1 ZINC000096113417 436513094 /nfs/dbraw/zinc/51/30/94/436513094.db2.gz PJQJVAVWCPVKJM-GDBMZVCRSA-N 0 3 347.463 0.806 40 0 biogenic,in-vitro ECABHN Cn1cc(CN2CCC3(C[C@H](NS(C)(=O)=O)CO3)CC2)cn1 ZINC000096224812 436524751 /nfs/dbraw/zinc/52/47/51/436524751.db2.gz OPEHPZXZNIPLBF-ZDUSSCGKSA-N 0 3 328.438 0.093 40 0 ECABHN Cc1cccc(CN2CCO[C@@]3(C2)COCCN(CCN(C)C)C3)n1 ZINC000096228919 436526235 /nfs/dbraw/zinc/52/62/35/436526235.db2.gz TUDARFIHBHWNHX-IBGZPJMESA-N 0 3 348.491 0.855 40 0 ECABHN COCCN1C[C@H](COC)C2(C1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000247952931 436798511 /nfs/dbraw/zinc/79/85/11/436798511.db2.gz MRVYTBJDTHXFNK-CQSZACIVSA-N 0 3 349.497 0.100 40 0 ECABHN CC(C)NC(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O ZINC000514289165 438812389 /nfs/dbraw/zinc/81/23/89/438812389.db2.gz WQGACXUFWJDOHW-YESZJQIVSA-N 0 3 335.448 0.997 40 0 biogenic,in-vitro ECABHN CN1CCN([C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1 ZINC000585269912 439636643 /nfs/dbraw/zinc/63/66/43/439636643.db2.gz PRWLMEXVNYDZIG-OALUTQOASA-N 0 3 349.475 0.240 40 0 ECABHN O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1cccs1 ZINC000077264182 202391791 /nfs/dbraw/zinc/39/17/91/202391791.db2.gz DAGIGQSJZXRTHM-BZPMIXESSA-N 0 3 326.418 0.375 40 0 biogenic,in-vitro ECABHN CN1CCN([C@H]2CCN(C(=O)CCc3cccnc3)CC[C@@H]2O)CC1 ZINC000257212676 244156432 /nfs/dbraw/zinc/15/64/32/244156432.db2.gz CEMIQGADDNNCLZ-ROUUACIJSA-N 0 3 346.475 0.614 40 0 ECABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1 ZINC000257219328 244177040 /nfs/dbraw/zinc/17/70/40/244177040.db2.gz DGKPNVCEKWGGAP-GOSISDBHSA-N 0 3 343.431 0.914 40 0 ECABHN NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN(C2CCOCC2)C1 ZINC000257245755 244256115 /nfs/dbraw/zinc/25/61/15/244256115.db2.gz IQYVJOCYUUNFFE-AWEZNQCLSA-N 0 3 332.404 0.120 40 0 ECABHN NC(=O)[C@@H]1CN(C(=O)Cc2cccnc2)CCN(C2CCOCC2)C1 ZINC000257264439 244355043 /nfs/dbraw/zinc/35/50/43/244355043.db2.gz LUJYADSTKNMWBC-HNNXBMFYSA-N 0 3 346.431 0.049 40 0 ECABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cnc(C)cn3)CC[C@@H]21 ZINC000096185572 203853637 /nfs/dbraw/zinc/85/36/37/203853637.db2.gz DZJYSCKXLXMPPE-VYDXJSESSA-N 0 3 345.447 0.798 40 0 ECABHN CCS(=O)(=O)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 ZINC000096062341 280015213 /nfs/dbraw/zinc/01/52/13/280015213.db2.gz JMNFSMRPPLEUBU-OAHLLOKOSA-N 0 3 332.466 0.539 40 0 ECABHN CN(C)CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438396 435989829 /nfs/dbraw/zinc/98/98/29/435989829.db2.gz LDZDSBQCCCLIEQ-UHFFFAOYSA-N 0 3 325.434 0.908 40 0 ECABHN CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225518860 436712353 /nfs/dbraw/zinc/71/23/53/436712353.db2.gz RPCYTYXDVVSNPJ-LZFBMIIGSA-N 0 3 334.363 0.092 40 0 biogenic,in-vitro ECABHN CNC(=O)[C@@H]1CN(C(=O)c2ccccc2)CCN(C2CCOCC2)C1 ZINC000257338698 436874440 /nfs/dbraw/zinc/87/44/40/436874440.db2.gz YYOMVBHGBPVOQN-INIZCTEOSA-N 0 3 345.443 0.986 40 0 ECABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCCC2)C1 ZINC000585289451 439642380 /nfs/dbraw/zinc/64/23/80/439642380.db2.gz GPNWALYMGREWQZ-WBVHZDCISA-N 0 3 338.835 0.913 40 0 ECABHN CC(=O)N[C@H]1CC2(CCN(Cc3[nH]cnc3C)CC2)OC[C@]1(C)O ZINC000257270845 534651123 /nfs/dbraw/zinc/65/11/23/534651123.db2.gz MVWKSJWALMKQQA-HOTGVXAUSA-N 0 3 336.436 0.729 40 0 ECABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)CC1 ZINC000015674040 282703951 /nfs/dbraw/zinc/70/39/51/282703951.db2.gz NSIHVUMPBZSCBW-OCCSQVGLSA-N 0 3 330.392 0.729 40 0 biogenic,in-vitro ECABHN O=C(c1ccc(=O)[nH]n1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257231010 244213185 /nfs/dbraw/zinc/21/31/85/244213185.db2.gz GEUSIZQSCPSCLD-CQSZACIVSA-N 0 3 342.346 0.078 40 0 ECABHN OCC(CO)N1CCC(c2nccnc2Nc2cnccn2)CC1 ZINC000072363675 203205711 /nfs/dbraw/zinc/20/57/11/203205711.db2.gz WYNQUVCMJOWNPV-UHFFFAOYSA-N 0 3 330.392 0.543 40 0 ECABHN O=C(NC[C@]1(O)CN(CCc2ccccc2)C[C@H]1O)c1cscn1 ZINC000257254322 244278636 /nfs/dbraw/zinc/27/86/36/244278636.db2.gz KCOMIQHZAKLKAN-WBVHZDCISA-N 0 3 347.440 0.523 40 0 ECABHN Cc1ccccc1CN1C[C@@H](O)[C@](O)(CNC(=O)c2cscn2)C1 ZINC000257272700 244382601 /nfs/dbraw/zinc/38/26/01/244382601.db2.gz NDLTZMGMAHKVNG-WBVHZDCISA-N 0 3 347.440 0.789 40 0 ECABHN CN(C)CCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000010111699 211148758 /nfs/dbraw/zinc/14/87/58/211148758.db2.gz NZLRRKKVXXHAJI-UHFFFAOYSA-N 0 3 343.449 0.135 40 0 ECABHN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036753 273953417 /nfs/dbraw/zinc/95/34/17/273953417.db2.gz OKADOMNJNCJEOS-HNNXBMFYSA-N 0 3 341.415 0.914 40 0 ECABHN CCCS(=O)(=O)N1CCC2(CC1)COCCN(CCN(C)C)C2 ZINC000096078162 278849971 /nfs/dbraw/zinc/84/99/71/278849971.db2.gz MOZMUBLFHYSWNA-UHFFFAOYSA-N 0 3 347.525 0.702 40 0 ECABHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000004373351 435981639 /nfs/dbraw/zinc/98/16/39/435981639.db2.gz FDMVHHVYOGARCF-INWMFGNUSA-N 0 3 349.431 0.854 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccccn1)CCC2 ZINC000096084347 436511669 /nfs/dbraw/zinc/51/16/69/436511669.db2.gz DMERLCOOACXTEP-UHFFFAOYSA-N 0 3 344.419 0.797 40 0 ECABHN CN(C)CCN1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)C1=O ZINC000096268239 436530319 /nfs/dbraw/zinc/53/03/19/436530319.db2.gz DCZHXIKMPQCYBB-UHFFFAOYSA-N 0 3 344.415 0.625 40 0 ECABHN CNC(=O)c1cccc([C@@H]2CN(CC3(O)CCOCC3)CCN2C)c1 ZINC000257294170 436864385 /nfs/dbraw/zinc/86/43/85/436864385.db2.gz QSWUVSORMOBICR-KRWDZBQOSA-N 0 3 347.459 0.876 40 0 ECABHN CN(CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1)C1CCCC1 ZINC000257302101 436866100 /nfs/dbraw/zinc/86/61/00/436866100.db2.gz SBNVHWKUZHYDCG-QGZVFWFLSA-N 0 3 333.436 0.408 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000257318820 436869701 /nfs/dbraw/zinc/86/97/01/436869701.db2.gz VPNBSLGIXPGFSE-KRWDZBQOSA-N 0 3 329.444 0.854 40 0 ECABHN Cc1nc(C)c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c(=O)[n-]1 ZINC000257332264 436873355 /nfs/dbraw/zinc/87/33/55/436873355.db2.gz XWMBUOGVMKEMBR-QGZVFWFLSA-N 0 3 336.436 0.647 40 0 ECABHN Cc1cc(C)n2ncc(CN3CCN(C)C[C@H](C(=O)N(C)C)C3)c2n1 ZINC000257343516 436877349 /nfs/dbraw/zinc/87/73/49/436877349.db2.gz ZTIBQHPELHGRMU-INIZCTEOSA-N 0 3 344.463 0.798 40 0 ECABHN Cn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@@H]3C2)cn1 ZINC000306127187 437165250 /nfs/dbraw/zinc/16/52/50/437165250.db2.gz FRDNXLVOVZZFPV-CHWSQXEVSA-N 0 3 341.419 0.208 40 0 ECABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1 ZINC000514290117 438813638 /nfs/dbraw/zinc/81/36/38/438813638.db2.gz TYRQTSMEYJYFOH-DLBZAZTESA-N 0 3 344.459 0.683 40 0 biogenic,in-vitro ECABHN CN1CC[C@@H](c2nc(CNC(=O)CN3CCCCCC3=O)c[nH]2)C1 ZINC000257246183 536460098 /nfs/dbraw/zinc/46/00/98/536460098.db2.gz ISXJMZHNPDKRBR-CYBMUJFWSA-N 0 3 333.436 0.848 40 0 ECABHN CN(C)CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000224454018 564042880 /nfs/dbraw/zinc/04/28/80/564042880.db2.gz RTKSTDWWDZQSRM-UHFFFAOYSA-N 0 3 331.413 0.265 40 0 ECABHN Cc1cc(N)cc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 ZINC000257230235 244211492 /nfs/dbraw/zinc/21/14/92/244211492.db2.gz GBJWIKILHJITII-AWEZNQCLSA-N 0 3 330.392 0.899 40 0 ECABHN CN(C)CC(=O)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380488 203210216 /nfs/dbraw/zinc/21/02/16/203210216.db2.gz TYRVCROLBOLQLD-ZDUSSCGKSA-N 0 3 349.435 0.150 40 0 ECABHN Cc1cc(NCCN(C)C)nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072365009 203205866 /nfs/dbraw/zinc/20/58/66/203205866.db2.gz UUGXYKGZWGWCSG-LBPRGKRZSA-N 0 3 327.454 0.855 40 0 ECABHN CN(C)c1cc(C[C@@H]2CN(C)CCN(c3cnccn3)C2)ncn1 ZINC000072378182 203208700 /nfs/dbraw/zinc/20/87/00/203208700.db2.gz KCVCIAZLYPLPBR-CQSZACIVSA-N 0 3 327.436 0.943 40 0 ECABHN CN1CCN(C[C@@]2(O)CCN(C(=O)[C@@]3(C)CCCCN3C)C2)CC1 ZINC000072369446 277108046 /nfs/dbraw/zinc/10/80/46/277108046.db2.gz HOMKOLMDEUFOBL-MSOLQXFVSA-N 0 3 338.496 0.072 40 0 ECABHN CN1[C@H](C(=O)N2CCN(C)CC2)C[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000248115506 277215581 /nfs/dbraw/zinc/21/55/81/277215581.db2.gz IMGSVHYDFYZRGP-BHYGNILZSA-N 0 3 332.448 0.558 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000257338002 277253454 /nfs/dbraw/zinc/25/34/54/277253454.db2.gz YVKACQMPPNUYRZ-ZDUSSCGKSA-N 0 3 328.416 0.928 40 0 ECABHN CC(=O)N1CCN(CCCOc2ccccc2F)C[C@H](C(N)=O)C1 ZINC000257272933 278040888 /nfs/dbraw/zinc/04/08/88/278040888.db2.gz NELFWYMBLHATDS-AWEZNQCLSA-N 0 3 337.395 0.860 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)c2ccoc2)Cc2nnn(C)c21 ZINC000096045446 289170800 /nfs/dbraw/zinc/17/08/00/289170800.db2.gz SYSOQMKAQYPDGG-CYBMUJFWSA-N 0 3 333.392 0.726 40 0 ECABHN CN(C)CCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000010111644 436037142 /nfs/dbraw/zinc/03/71/42/436037142.db2.gz FLMOUTDAXGGNAG-UHFFFAOYSA-N 0 3 335.376 0.409 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000096196658 436521584 /nfs/dbraw/zinc/52/15/84/436521584.db2.gz QZSAZJHBQXJMCU-OAHLLOKOSA-N 0 3 333.432 0.374 40 0 ECABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049482 436506459 /nfs/dbraw/zinc/50/64/59/436506459.db2.gz YSPOVZOJQZULLV-QGZVFWFLSA-N 0 3 335.452 0.081 40 0 ECABHN Cn1cc(CN2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cn1 ZINC000096052212 436507204 /nfs/dbraw/zinc/50/72/04/436507204.db2.gz QDZPUIQJLMDVEU-INIZCTEOSA-N 0 3 348.447 0.508 40 0 ECABHN COCCn1cc2c(n1)[C@H](CNC(=O)C1CCN(C)CC1)OCC2 ZINC000096068167 436510603 /nfs/dbraw/zinc/51/06/03/436510603.db2.gz RZURJRREINBVTG-HNNXBMFYSA-N 0 3 336.436 0.601 40 0 ECABHN C[C@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096201536 436523884 /nfs/dbraw/zinc/52/38/84/436523884.db2.gz ZCPDXXTXIYKNNV-CQSZACIVSA-N 0 3 348.447 0.798 40 0 ECABHN Cc1ncsc1CN1CCN(C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257341756 436874337 /nfs/dbraw/zinc/87/43/37/436874337.db2.gz ZLWLOWVWAKEAJZ-CYBMUJFWSA-N 0 3 338.477 0.850 40 0 ECABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cnccn1 ZINC000257308241 436868058 /nfs/dbraw/zinc/86/80/58/436868058.db2.gz TVYZBIARUKGZSS-SIXLDLHFSA-N 0 3 342.399 0.717 40 0 ECABHN C[C@]1(N(CCN)S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000575426528 438749231 /nfs/dbraw/zinc/74/92/31/438749231.db2.gz UWSSIDPNSNHMRL-ZDUSSCGKSA-N 0 3 332.447 0.213 40 0 ECABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1 ZINC000514290120 438812260 /nfs/dbraw/zinc/81/22/60/438812260.db2.gz TYRQTSMEYJYFOH-IAGOWNOFSA-N 0 3 344.459 0.683 40 0 biogenic,in-vitro ECABHN O=C(N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1)C1(F)CCC1 ZINC000585107718 439629418 /nfs/dbraw/zinc/62/94/18/439629418.db2.gz CUZFDSTXBXQJJO-CABCVRRESA-N 0 3 325.428 0.886 40 0 ECABHN NC(=O)CN1CCCC[C@H]2CN(C(=O)C=Cc3c[nH]cn3)CC[C@H]21 ZINC000585290259 439641449 /nfs/dbraw/zinc/64/14/49/439641449.db2.gz ALDAKCHEZLYZTF-GMOCUTOCSA-N 0 3 331.420 0.611 40 0 ECABHN CN(C)C/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585289418 439641783 /nfs/dbraw/zinc/64/17/83/439641783.db2.gz JEDDGDKAVYGSGX-SXVPMFKMSA-N 0 3 339.480 0.567 40 0 ECABHN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000224903953 564043923 /nfs/dbraw/zinc/04/39/23/564043923.db2.gz ANIFKGJFWXTHJH-LBPRGKRZSA-N 0 3 343.449 0.528 40 0 ECABHN CCOC(=O)[C@@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1 ZINC000034781521 202276483 /nfs/dbraw/zinc/27/64/83/202276483.db2.gz OUCUGSVEWPYBKR-ZHZXCYKASA-N 0 3 329.393 0.499 40 0 ECABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(CN)COC ZINC000218145890 241302279 /nfs/dbraw/zinc/30/22/79/241302279.db2.gz LLXSNSPNPDJJQN-RRFJBIMHSA-N 0 3 327.402 0.907 40 0 ECABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccnc(N2CCCC2)c1 ZINC000257202967 244123341 /nfs/dbraw/zinc/12/33/41/244123341.db2.gz AOBXGWHVCRFIJV-KGLIPLIRSA-N 0 3 331.420 0.088 40 0 ECABHN Cc1cccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)n1 ZINC000107208034 204228321 /nfs/dbraw/zinc/22/83/21/204228321.db2.gz VZMAEOGKCVKJIH-FVQBIDKESA-N 0 3 339.461 0.776 40 0 ECABHN CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059735 288973086 /nfs/dbraw/zinc/97/30/86/288973086.db2.gz WMTTYQYFQFTFLI-OAHLLOKOSA-N 0 3 329.404 0.770 40 0 ECABHN O=S(=O)(c1cncc(Cl)c1N1CCNCC1)N1CCCC1 ZINC000072210755 436035787 /nfs/dbraw/zinc/03/57/87/436035787.db2.gz ORDCJQMJSVZOAJ-UHFFFAOYSA-N 0 3 330.841 0.929 40 0 ECABHN COc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013646497 436065684 /nfs/dbraw/zinc/06/56/84/436065684.db2.gz XDGRFVAFIVRSFA-UHFFFAOYSA-N 0 3 329.422 0.139 40 0 ECABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)CC1 ZINC000022926946 436122804 /nfs/dbraw/zinc/12/28/04/436122804.db2.gz IGSCSJMEIQTNMZ-YESZJQIVSA-N 0 3 346.475 0.967 40 0 biogenic,in-vitro ECABHN O=S1(=O)CC[C@@H](NCCCCCO[C@H]2CCS(=O)(=O)C2)C1 ZINC000040177509 436261517 /nfs/dbraw/zinc/26/15/17/436261517.db2.gz DWSCIUVDGYPMSM-OLZOCXBDSA-N 0 3 339.479 0.137 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)cn1 ZINC000096057228 436506379 /nfs/dbraw/zinc/50/63/79/436506379.db2.gz AHQDJCKKXAKPMK-ZACQAIPSSA-N 0 3 348.447 0.363 40 0 ECABHN Cn1cc(-c2nnn3c2CO[C@@H](CNCc2ccncc2)C3)cn1 ZINC000096061022 436509147 /nfs/dbraw/zinc/50/91/47/436509147.db2.gz HLUCSMXXCTZOAS-AWEZNQCLSA-N 0 3 325.376 0.762 40 0 ECABHN CN(C)CCOC[C@@H]1CN(Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060660 436509175 /nfs/dbraw/zinc/50/91/75/436509175.db2.gz TZJAQIBGFFZALY-AWEZNQCLSA-N 0 3 333.440 0.226 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)Cc3cccs3)CC[C@@H]2O)CC1 ZINC000257283165 436861956 /nfs/dbraw/zinc/86/19/56/436861956.db2.gz OWZWRYKOVBJZCF-HOTGVXAUSA-N 0 3 337.489 0.890 40 0 ECABHN C[C@]1(C(=O)N2CCOCC2)CN(CC2(O)CCCCC2)CCO1 ZINC000257339331 436875649 /nfs/dbraw/zinc/87/56/49/436875649.db2.gz ZBGPJYZOHHZOIE-MRXNPFEDSA-N 0 3 326.437 0.631 40 0 ECABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(C)C2)cs1 ZINC000306140949 437167698 /nfs/dbraw/zinc/16/76/98/437167698.db2.gz VHMLEAXJHLYCJE-HNNXBMFYSA-N 0 3 333.417 0.195 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306133916 437168378 /nfs/dbraw/zinc/16/83/78/437168378.db2.gz MZDYBZHJDJCCFF-KBPBESRZSA-N 0 3 338.415 0.870 40 0 ECABHN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CN2CCCC2)C1 ZINC000306142538 437168527 /nfs/dbraw/zinc/16/85/27/437168527.db2.gz XCMFELGREQPSKP-CYBMUJFWSA-N 0 3 327.454 0.217 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585110540 439631091 /nfs/dbraw/zinc/63/10/91/439631091.db2.gz IOFZCZQNVTXEAS-UHFFFAOYSA-N 0 3 339.415 0.981 40 0 ECABHN COC[C@@H]1C[N@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000585093843 439627544 /nfs/dbraw/zinc/62/75/44/439627544.db2.gz IWLSRLLDHPMOJA-ZDUSSCGKSA-N 0 3 332.404 0.755 40 0 ECABHN COC[C@@H]1C[N@@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000585093843 439627548 /nfs/dbraw/zinc/62/75/48/439627548.db2.gz IWLSRLLDHPMOJA-ZDUSSCGKSA-N 0 3 332.404 0.755 40 0 ECABHN Cc1cc(CN2CC3(C2)C[C@H](COCC(=O)N(C)C)CN3C)n(C)n1 ZINC000585093800 439627866 /nfs/dbraw/zinc/62/78/66/439627866.db2.gz GLUOBIMGPSLOTN-HNNXBMFYSA-N 0 3 349.479 0.339 40 0 ECABHN CN(C)Cc1nccnc1C1CCN(CC(=O)N2CCOCC2)CC1 ZINC000257249602 536064170 /nfs/dbraw/zinc/06/41/70/536064170.db2.gz JJAVMZCERHXHDE-UHFFFAOYSA-N 0 3 347.463 0.576 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2cc(C)ccc2OC)C1 ZINC000257250430 536398803 /nfs/dbraw/zinc/39/88/03/536398803.db2.gz JMMPMCFPYHJPFR-HNNXBMFYSA-N 0 3 333.432 0.682 40 0 ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@H]2CCOC2)C1 ZINC000096188995 282109187 /nfs/dbraw/zinc/10/91/87/282109187.db2.gz VKJIHZGHDXJXAO-CABCVRRESA-N 0 3 336.436 0.456 40 0 ECABHN CCS(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(OC)cc2)C1 ZINC000257245187 244256193 /nfs/dbraw/zinc/25/61/93/244256193.db2.gz IOKUJOQRIBUDJO-MRXNPFEDSA-N 0 3 342.461 0.914 40 0 ECABHN COCCC(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391659 203213855 /nfs/dbraw/zinc/21/38/55/203213855.db2.gz NCQTUAVAZCAUEI-GFCCVEGCSA-N 0 3 332.408 0.398 40 0 ECABHN NC(=O)[C@H]1CN(C(=O)Cc2cccnc2)CCN(C2CCOCC2)C1 ZINC000257264440 244355257 /nfs/dbraw/zinc/35/52/57/244355257.db2.gz LUJYADSTKNMWBC-OAHLLOKOSA-N 0 3 346.431 0.049 40 0 ECABHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCCN(C)CC3)C2=O)cc1 ZINC000019929964 212085863 /nfs/dbraw/zinc/08/58/63/212085863.db2.gz AVEGWBUGBHQHEH-MRXNPFEDSA-N 0 3 344.415 0.914 40 0 ECABHN CS(=O)(=O)N1CCC(N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000257280522 286604640 /nfs/dbraw/zinc/60/46/40/286604640.db2.gz OLFBMDCCLQSOOK-AWEZNQCLSA-N 0 3 332.466 0.416 40 0 ECABHN O=C1CO[C@@H]2CN(CC3(O)CCOCC3)C[C@H]2N1Cc1ccccc1 ZINC000257298241 275019240 /nfs/dbraw/zinc/01/92/40/275019240.db2.gz RKUZPNLAOOQTAH-IAGOWNOFSA-N 0 3 346.427 0.640 40 0 ECABHN CCCC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000019699481 436107315 /nfs/dbraw/zinc/10/73/15/436107315.db2.gz WPJQBNMZMAAAKH-UHFFFAOYSA-N 0 3 336.436 0.794 40 0 ECABHN CCc1ccccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013675291 436065844 /nfs/dbraw/zinc/06/58/44/436065844.db2.gz KKQSQUWTQVXGMN-UHFFFAOYSA-N 0 3 327.450 0.693 40 0 ECABHN CN(C)CCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000044840981 436349805 /nfs/dbraw/zinc/34/98/05/436349805.db2.gz XQPVVWNESGCCLV-UHFFFAOYSA-N 0 3 346.428 0.116 40 0 ECABHN Cn1cc(C(=O)NCc2cnc3n2CCN(CC2CC2)CC3)cn1 ZINC000096197077 436520435 /nfs/dbraw/zinc/52/04/35/436520435.db2.gz JZBNAPNCFJDSAA-UHFFFAOYSA-N 0 3 328.420 0.815 40 0 ECABHN CS(=O)(=O)NCc1cncc2c1CCN(C[C@H]1CCOC1)C2 ZINC000096189486 436520673 /nfs/dbraw/zinc/52/06/73/436520673.db2.gz XIKCVFZDXKEHPT-GFCCVEGCSA-N 0 3 325.434 0.525 40 0 ECABHN CCOC(=O)[C@@]12CN(C(C)C)C[C@@H]1CN(S(C)(=O)=O)CCC2 ZINC000096055921 436506723 /nfs/dbraw/zinc/50/67/23/436506723.db2.gz QEVNOMWYEKQJNN-HIFRSBDPSA-N 0 3 332.466 0.932 40 0 ECABHN CN(C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCCN1CCCC1 ZINC000096068743 436509612 /nfs/dbraw/zinc/50/96/12/436509612.db2.gz YEMVKPTYYBLYJS-AWEZNQCLSA-N 0 3 336.440 0.508 40 0 ECABHN COC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccccc1 ZINC000054121091 436545869 /nfs/dbraw/zinc/54/58/69/436545869.db2.gz ICYGTKXWRYSLGX-KGLIPLIRSA-N 0 3 330.388 0.250 40 0 ECABHN NCc1cnn(-c2ccccc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000257328785 436872569 /nfs/dbraw/zinc/87/25/69/436872569.db2.gz XHCOLBWCKQEMRF-ZDUSSCGKSA-N 0 3 327.388 0.669 40 0 ECABHN CCn1ncc(S(=O)(=O)N2CC[C@](O)(CN3CCCC3)C2)c1C ZINC000257257251 535828540 /nfs/dbraw/zinc/82/85/40/535828540.db2.gz KOTPVEBFCXONQD-HNNXBMFYSA-N 0 3 342.465 0.433 40 0 ECABHN CCn1ncc(S(=O)(=O)N2CC[C@@](O)(CN3CCCC3)C2)c1C ZINC000257257252 535828816 /nfs/dbraw/zinc/82/88/16/535828816.db2.gz KOTPVEBFCXONQD-OAHLLOKOSA-N 0 3 342.465 0.433 40 0 ECABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298449 545656217 /nfs/dbraw/zinc/65/62/17/545656217.db2.gz IKBVCTCWJMSXLQ-UHTWSYAYSA-N 0 3 348.432 0.576 40 0 biogenic,in-vitro ECABHN CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218192518 241304542 /nfs/dbraw/zinc/30/45/42/241304542.db2.gz RJIROVUMEBHVLO-SDDRHHMPSA-N 0 3 334.235 0.897 40 0 ECABHN Cc1cc(N)cc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)n1 ZINC000257230236 244210517 /nfs/dbraw/zinc/21/05/17/244210517.db2.gz GBJWIKILHJITII-CQSZACIVSA-N 0 3 330.392 0.899 40 0 ECABHN Cn1ccnc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318717 274896971 /nfs/dbraw/zinc/89/69/71/274896971.db2.gz VPBQKMGDKIUFBO-AWEZNQCLSA-N 0 3 328.363 0.728 40 0 ECABHN CN(C)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210838 436036282 /nfs/dbraw/zinc/03/62/82/436036282.db2.gz KCMNALZUHQZGCG-UHFFFAOYSA-N 0 3 349.254 0.504 40 0 ECABHN CCOc1ccccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013649825 436065388 /nfs/dbraw/zinc/06/53/88/436065388.db2.gz PWJJYNYCKLBAIO-UHFFFAOYSA-N 0 3 343.449 0.529 40 0 ECABHN CCC(=O)N1CCC(N2C(=O)NC3(CCN(CC)CC3)C2=O)CC1 ZINC000019699550 436109000 /nfs/dbraw/zinc/10/90/00/436109000.db2.gz OYVHUMISKLXUJU-UHFFFAOYSA-N 0 3 336.436 0.794 40 0 ECABHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(CC1CC1)C2 ZINC000096050464 436506648 /nfs/dbraw/zinc/50/66/48/436506648.db2.gz PHRSDTAZSNQKLS-QGZVFWFLSA-N 0 3 331.420 0.470 40 0 ECABHN CN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000054147886 436547870 /nfs/dbraw/zinc/54/78/70/436547870.db2.gz JVNROOSYPIPPRX-UHFFFAOYSA-N 0 3 325.434 0.518 40 0 ECABHN CCCCCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000062720575 436640848 /nfs/dbraw/zinc/64/08/48/436640848.db2.gz MJADDUFCHFAFRS-UHFFFAOYSA-N 0 3 334.424 0.034 40 0 ECABHN CNC(=O)CCc1cccc(C2CCN([C@H]3COC[C@H]3O)CC2)n1 ZINC000257288584 436864002 /nfs/dbraw/zinc/86/40/02/436864002.db2.gz PUVURPXBODRXHM-DLBZAZTESA-N 0 3 333.432 0.699 40 0 ECABHN OCCCN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290265 438811453 /nfs/dbraw/zinc/81/14/53/438811453.db2.gz VVRXGLVJBLKZCS-QZTJIDSGSA-N 0 3 331.460 0.374 40 0 biogenic,in-vitro ECABHN CCN(CC)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccs2)[C@H]1O ZINC000514288946 438814020 /nfs/dbraw/zinc/81/40/20/438814020.db2.gz LOBQNCPBBIPSPQ-GMXVVIOVSA-N 0 3 334.463 0.497 40 0 biogenic,in-vitro ECABHN CN(CCO)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585289834 439641116 /nfs/dbraw/zinc/64/11/16/439641116.db2.gz KLLMFMBGQWTZTI-HOCLYGCPSA-N 0 3 342.823 0.202 40 0 ECABHN CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218192446 241303574 /nfs/dbraw/zinc/30/35/74/241303574.db2.gz RJIROVUMEBHVLO-QJPTWQEYSA-N 0 3 334.235 0.897 40 0 ECABHN CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218192377 241303705 /nfs/dbraw/zinc/30/37/05/241303705.db2.gz RJIROVUMEBHVLO-GRYCIOLGSA-N 0 3 334.235 0.897 40 0 ECABHN CC(C)[C@@H](N)C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1 ZINC000012220098 211321782 /nfs/dbraw/zinc/32/17/82/211321782.db2.gz VRVVUSMLXLYWKO-WRSAYESZSA-N 0 3 344.415 0.569 40 0 ECABHN O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@@H](CCO)CC1 ZINC000333321687 297124354 /nfs/dbraw/zinc/12/43/54/297124354.db2.gz UQBUPSHQSWWBAO-CQSZACIVSA-N 0 3 348.451 0.903 40 0 ECABHN CN(C)CCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013673134 436066128 /nfs/dbraw/zinc/06/61/28/436066128.db2.gz POBMXRUASLCKHC-UHFFFAOYSA-N 0 3 333.841 0.784 40 0 ECABHN Cn1cc(CN2CCc3ncc(CN4CCN(C)CC4)n3CC2)cn1 ZINC000096196925 436520695 /nfs/dbraw/zinc/52/06/95/436520695.db2.gz UXRLRCSVNZZAGR-UHFFFAOYSA-N 0 3 343.479 0.422 40 0 ECABHN Cn1cc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)cn1 ZINC000096056286 436505880 /nfs/dbraw/zinc/50/58/80/436505880.db2.gz VJPQUSJWBMXVOU-OFQRWUPVSA-N 0 3 345.403 0.675 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC000096067612 436509838 /nfs/dbraw/zinc/50/98/38/436509838.db2.gz ILRZYXTVSWWRLT-ZBFHGGJFSA-N 0 3 333.432 0.562 40 0 ECABHN O=C([C@H]1CCCO1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096068106 436511016 /nfs/dbraw/zinc/51/10/16/436511016.db2.gz XFPJUDBUOCOOEN-OAHLLOKOSA-N 0 3 346.431 0.750 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1cccn1C)CCC2 ZINC000096084344 436511674 /nfs/dbraw/zinc/51/16/74/436511674.db2.gz DTBTUHQBACBVSP-UHFFFAOYSA-N 0 3 346.435 0.741 40 0 ECABHN CN(C)CCN1CC2(CCN(C(=O)c3ccoc3)CC2)OCC1=O ZINC000096201356 436523623 /nfs/dbraw/zinc/52/36/23/436523623.db2.gz ZXJVZKOZLIYOFW-UHFFFAOYSA-N 0 3 335.404 0.675 40 0 ECABHN Cn1cncc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108527465 436618735 /nfs/dbraw/zinc/61/87/35/436618735.db2.gz QAQXJHHWJQSDKQ-ZDUSSCGKSA-N 0 3 342.465 0.483 40 0 ECABHN COCC(=O)NCC[C@@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000247855201 436797823 /nfs/dbraw/zinc/79/78/23/436797823.db2.gz TWYNHVCHGKKBIP-AWEZNQCLSA-N 0 3 336.436 0.647 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000257338884 436874887 /nfs/dbraw/zinc/87/48/87/436874887.db2.gz YZHLTIRVVUXKDK-HNNXBMFYSA-N 0 3 329.400 0.599 40 0 ECABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cnn(C)c3)C[C@H]1C2 ZINC000306136089 437168222 /nfs/dbraw/zinc/16/82/22/437168222.db2.gz PISBSNXNUBZQMM-ZIAGYGMSSA-N 0 3 343.435 0.454 40 0 ECABHN Cc1[nH]nc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1C ZINC000333988137 437291789 /nfs/dbraw/zinc/29/17/89/437291789.db2.gz HXVQSQAAOKXQSK-UHFFFAOYSA-N 0 3 335.452 0.553 40 0 ECABHN OCCCN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290266 438811529 /nfs/dbraw/zinc/81/15/29/438811529.db2.gz VVRXGLVJBLKZCS-ZWKOTPCHSA-N 0 3 331.460 0.374 40 0 biogenic,in-vitro ECABHN Cc1nc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)c[nH]1 ZINC000585104898 439630133 /nfs/dbraw/zinc/63/01/33/439630133.db2.gz WGJZFGONSUUICW-LSDHHAIUSA-N 0 3 348.447 0.796 40 0 ECABHN CC(C)N(C)CC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1 ZINC000585110648 439630795 /nfs/dbraw/zinc/63/07/95/439630795.db2.gz RWTRFTRBBWTJIA-UHFFFAOYSA-N 0 3 349.479 0.440 40 0 ECABHN CC(=O)N1CCN(C(=O)c2cc(C3CCN(C)CC3)nc(C)n2)CC1 ZINC000072382883 216184286 /nfs/dbraw/zinc/18/42/86/216184286.db2.gz LTENMAAUMOHOPI-UHFFFAOYSA-N 0 3 345.447 0.899 40 0 ECABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)CCc1nc2ccccc2[nH]1 ZINC000257205750 244132209 /nfs/dbraw/zinc/13/22/09/244132209.db2.gz BALLBFMNPASFIP-RISCZKNCSA-N 0 3 329.404 0.288 40 0 ECABHN Cc1nccn1CC(=O)N1CCO[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257219938 244183068 /nfs/dbraw/zinc/18/30/68/244183068.db2.gz DIXPTZMYVKURPO-AWEZNQCLSA-N 0 3 332.408 0.576 40 0 ECABHN Cc1nccn1CC(=O)N1CCO[C@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257219938 244183077 /nfs/dbraw/zinc/18/30/77/244183077.db2.gz DIXPTZMYVKURPO-AWEZNQCLSA-N 0 3 332.408 0.576 40 0 ECABHN CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCN3)nc2NC)C1 ZINC000019708619 212055549 /nfs/dbraw/zinc/05/55/49/212055549.db2.gz SAVVPSBEWLWDKA-NSHDSACASA-N 0 3 325.438 0.651 40 0 ECABHN COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019590234 212049166 /nfs/dbraw/zinc/04/91/66/212049166.db2.gz IVTMLBPCYUCPSD-LBPRGKRZSA-N 0 3 334.420 0.913 40 0 ECABHN COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019590234 212049168 /nfs/dbraw/zinc/04/91/68/212049168.db2.gz IVTMLBPCYUCPSD-LBPRGKRZSA-N 0 3 334.420 0.913 40 0 ECABHN O=C(COc1ccc(CN2CC[C@H](CO)C2)cc1)N1CCOCC1 ZINC000012191762 211315069 /nfs/dbraw/zinc/31/50/69/211315069.db2.gz XGALLLMZGKIUHO-INIZCTEOSA-N 0 3 334.416 0.738 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cnccn2)C1 ZINC000096188980 289170728 /nfs/dbraw/zinc/17/07/28/289170728.db2.gz WDVSQDWVTSZAOJ-AWEZNQCLSA-N 0 3 344.419 0.524 40 0 ECABHN Cc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013673828 436064494 /nfs/dbraw/zinc/06/44/94/436064494.db2.gz QWYSBQLRVPFLIN-CYBMUJFWSA-N 0 3 327.450 0.827 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(Cc2cnn(C)c2)C1 ZINC000096188961 436522068 /nfs/dbraw/zinc/52/20/68/436522068.db2.gz GDVVZEDZUHWCJO-INIZCTEOSA-N 0 3 332.452 0.827 40 0 ECABHN CN(C)C(=O)COC[C@H]1Cn2nccc2CN(CCN2CCCC2)C1 ZINC000096189079 436522116 /nfs/dbraw/zinc/52/21/16/436522116.db2.gz JZPACRUQNYXMFD-MRXNPFEDSA-N 0 3 349.479 0.516 40 0 ECABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21 ZINC000096043314 436505434 /nfs/dbraw/zinc/50/54/34/436505434.db2.gz AWYGTILRAYKIDA-OWCLPIDISA-N 0 3 336.436 0.410 40 0 ECABHN O=C1CO[C@@H]2CN(CC3CCOCC3)C[C@H]2N1Cc1ccncc1 ZINC000096054272 436506341 /nfs/dbraw/zinc/50/63/41/436506341.db2.gz WABBPBUKQLUBPB-IAGOWNOFSA-N 0 3 331.416 0.920 40 0 ECABHN O=C(N[C@H]1CN(CC2CCOCC2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000096056367 436506450 /nfs/dbraw/zinc/50/64/50/436506450.db2.gz HGYZGTLCOQQZDK-ULQDDVLXSA-N 0 3 346.431 0.865 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccncc1)CCC2 ZINC000096058832 436508431 /nfs/dbraw/zinc/50/84/31/436508431.db2.gz LBODRKVDOBLKQY-UHFFFAOYSA-N 0 3 344.419 0.797 40 0 ECABHN Cc1cc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)no1 ZINC000096067608 436510387 /nfs/dbraw/zinc/51/03/87/436510387.db2.gz WSXXZAYECBLBFY-AWEZNQCLSA-N 0 3 344.415 0.994 40 0 ECABHN Cc1cncc(C(=O)N2C[C@H]3OCC(=O)N(CCN(C)C)[C@@H]3C2)c1 ZINC000096081571 436510869 /nfs/dbraw/zinc/51/08/69/436510869.db2.gz OBTLJOUBTWHXFX-HUUCEWRRSA-N 0 3 332.404 0.003 40 0 ECABHN CN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 ZINC000096107735 436511406 /nfs/dbraw/zinc/51/14/06/436511406.db2.gz FAIZPICWKARMLM-CABCVRRESA-N 0 3 347.481 0.139 40 0 ECABHN CN(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000120337044 436684785 /nfs/dbraw/zinc/68/47/85/436684785.db2.gz OHNSBMAXUIZUGP-UHFFFAOYSA-N 0 3 333.841 0.638 40 0 ECABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306127190 437164901 /nfs/dbraw/zinc/16/49/01/437164901.db2.gz FRDNXLVOVZZFPV-STQMWFEESA-N 0 3 341.419 0.208 40 0 ECABHN COC[C@H]1C[N@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000585093842 439628192 /nfs/dbraw/zinc/62/81/92/439628192.db2.gz IWLSRLLDHPMOJA-CYBMUJFWSA-N 0 3 332.404 0.755 40 0 ECABHN COC[C@H]1C[N@@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000585093842 439628195 /nfs/dbraw/zinc/62/81/95/439628195.db2.gz IWLSRLLDHPMOJA-CYBMUJFWSA-N 0 3 332.404 0.755 40 0 ECABHN CN(C)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000585289943 439641584 /nfs/dbraw/zinc/64/15/84/439641584.db2.gz NNHVQKIASMOWPX-ZBFHGGJFSA-N 0 3 326.824 0.768 40 0 ECABHN CN(C)S(=O)(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257263517 244353371 /nfs/dbraw/zinc/35/33/71/244353371.db2.gz LQHDERGZFWZFMC-OAHLLOKOSA-N 0 3 345.440 0.501 40 0 ECABHN Cn1ccnc1C(=O)N[C@@H]1CN(CC2CCOCC2)[C@@H]2CCCO[C@H]12 ZINC000096056357 279373474 /nfs/dbraw/zinc/37/34/74/279373474.db2.gz UKHYSLDLJPHWAH-BZUAXINKSA-N 0 3 348.447 0.808 40 0 ECABHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000001612761 435962709 /nfs/dbraw/zinc/96/27/09/435962709.db2.gz SXWOYINHNFSCIE-LLVKDONJSA-N 0 3 339.417 0.263 40 0 ECABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCC(N)=O ZINC000008535045 436031510 /nfs/dbraw/zinc/03/15/10/436031510.db2.gz NWZSEIDBLYABCY-MRVPVSSYSA-N 0 3 347.209 0.792 40 0 ECABHN CN(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000030871928 436224230 /nfs/dbraw/zinc/22/42/30/436224230.db2.gz COQRRSSKOZERKS-UHFFFAOYSA-N 0 3 346.428 0.116 40 0 ECABHN O=C(c1ccnnc1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054388 436505894 /nfs/dbraw/zinc/50/58/94/436505894.db2.gz USZFNHCJPFIJGV-CVEARBPZSA-N 0 3 331.420 0.098 40 0 ECABHN Cc1noc(C)c1CN1CC[C@@H]2[C@@H](CO[C@H]2CNS(C)(=O)=O)C1 ZINC000096064306 436507755 /nfs/dbraw/zinc/50/77/55/436507755.db2.gz ZYPRUWRLHZZJFC-NFAWXSAZSA-N 0 3 343.449 0.678 40 0 ECABHN CN1CCC(NC(=O)[C@H]2CO[C@@H]3CN(c4ccncn4)C[C@H]23)CC1 ZINC000096215898 436524544 /nfs/dbraw/zinc/52/45/44/436524544.db2.gz ZMKUADVDPBLILG-QLFBSQMISA-N 0 3 331.420 0.138 40 0 ECABHN COCCNC(=O)[C@H]1CO[C@@H]2CN(Cc3ccc(OC)cc3)C[C@H]12 ZINC000096218562 436525343 /nfs/dbraw/zinc/52/53/43/436525343.db2.gz GPCGPXFKLFQBRT-IXDOHACOSA-N 0 3 334.416 0.905 40 0 ECABHN O=S(=O)(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1ccccc1 ZINC000096296117 436530683 /nfs/dbraw/zinc/53/06/83/436530683.db2.gz GYBKFNSMKJNJFR-KFWWJZLASA-N 0 3 326.418 0.235 40 0 biogenic,in-vitro ECABHN CC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCCF)cc2)[C@H](O)C1 ZINC000257331687 436871818 /nfs/dbraw/zinc/87/18/18/436871818.db2.gz XTUZTRCQQRQZLH-DJIMGWMZSA-N 0 3 340.395 0.467 40 0 ECABHN NCc1cnn(-c2ccccc2C(=O)NCCN2CCOCC2)c1 ZINC000257334212 436875242 /nfs/dbraw/zinc/87/52/42/436875242.db2.gz YFAQEHNOOPDROX-UHFFFAOYSA-N 0 3 329.404 0.393 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288874 438813068 /nfs/dbraw/zinc/81/30/68/438813068.db2.gz KYFKEZNQJQWUDO-QLFBSQMISA-N 0 3 328.434 0.435 40 0 biogenic,in-vitro ECABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O ZINC000514289161 438813133 /nfs/dbraw/zinc/81/31/33/438813133.db2.gz WNWGNWNIJSRSSE-LTIDMASMSA-N 0 3 334.416 0.656 40 0 biogenic,in-vitro ECABHN O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(CC4CC4)C3)N2C1 ZINC000514289849 438813656 /nfs/dbraw/zinc/81/36/56/438813656.db2.gz PGKWQWZEYZQHKJ-QZTJIDSGSA-N 0 3 328.460 0.797 40 0 biogenic,in-vitro ECABHN COCCOc1cccc(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)c1 ZINC000585291275 439641655 /nfs/dbraw/zinc/64/16/55/439641655.db2.gz OKDFMHPMHWLEEG-OIISXLGYSA-N 0 3 325.405 0.512 40 0 ECABHN Cc1nn(C)c(C)c1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585294498 439642067 /nfs/dbraw/zinc/64/20/67/439642067.db2.gz GXSMZRDDEFUXDF-ZSYWTGECSA-N 0 3 345.443 0.547 40 0 ECABHN Cc1cc(CN2CC3(C2)C[C@H](COCC(=O)N(C)C)CN3C)[nH]n1 ZINC000585093760 439627271 /nfs/dbraw/zinc/62/72/71/439627271.db2.gz CYQRPORRLCTEOT-AWEZNQCLSA-N 0 3 335.452 0.329 40 0 ECABHN Cc1cc(CN2CC3(C2)C[C@H](COCC(=O)N(C)C)CN3C)n[nH]1 ZINC000585093760 439627275 /nfs/dbraw/zinc/62/72/75/439627275.db2.gz CYQRPORRLCTEOT-AWEZNQCLSA-N 0 3 335.452 0.329 40 0 ECABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298935 734890805 /nfs/dbraw/zinc/89/08/05/734890805.db2.gz FEULKVYAGBVSJI-XYPHTWIQSA-N 0 3 347.463 0.930 40 0 biogenic,in-vitro ECABHN CN(C)CCN1CCOCC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000096239848 282101379 /nfs/dbraw/zinc/10/13/79/282101379.db2.gz NUKCGTYYHWVFMT-INIZCTEOSA-N 0 3 339.480 0.526 40 0 ECABHN CNCC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257217773 244174735 /nfs/dbraw/zinc/17/47/35/244174735.db2.gz DANXRQFXHLMLDP-LBPRGKRZSA-N 0 3 327.392 0.936 40 0 ECABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1 ZINC000257216184 244167397 /nfs/dbraw/zinc/16/73/97/244167397.db2.gz CTMJKNCGXZDROG-GOSISDBHSA-N 0 3 343.431 0.764 40 0 ECABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)CCn1ncc2ccccc21 ZINC000257216596 244169298 /nfs/dbraw/zinc/16/92/98/244169298.db2.gz CVGLETRGPCAOKP-KGLIPLIRSA-N 0 3 329.404 0.219 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2cc(C)ccc2OC)C1 ZINC000257250431 244268866 /nfs/dbraw/zinc/26/88/66/244268866.db2.gz JMMPMCFPYHJPFR-OAHLLOKOSA-N 0 3 333.432 0.682 40 0 ECABHN NC(=O)[C@H]1CCCN(CCN2CCN3CCc4cccc(c43)C2=O)C1 ZINC000019346804 212019310 /nfs/dbraw/zinc/01/93/10/212019310.db2.gz BYVJTIBECGJXLT-HNNXBMFYSA-N 0 3 342.443 0.702 40 0 ECABHN CCN(CC)CCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1 ZINC000019364783 276098313 /nfs/dbraw/zinc/09/83/13/276098313.db2.gz SJCULHUSAZAQGA-UHFFFAOYSA-N 0 3 330.432 0.930 40 0 ECABHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCCN1C ZINC000000000731 435950703 /nfs/dbraw/zinc/95/07/03/435950703.db2.gz QCKAYJICSQJJCU-SNVBAGLBSA-N 0 3 327.406 0.167 40 0 in-man ECABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)c1ccno1)CC2 ZINC000096196654 436521223 /nfs/dbraw/zinc/52/12/23/436521223.db2.gz HGBUNTTYANVAFE-UHFFFAOYSA-N 0 3 330.388 0.639 40 0 ECABHN Cc1cccc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)n1 ZINC000096038599 436504592 /nfs/dbraw/zinc/50/45/92/436504592.db2.gz HPDVAEQAJXFGJX-KBAYOESNSA-N 0 3 345.443 0.943 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2nnn(C)c21 ZINC000096045467 436506166 /nfs/dbraw/zinc/50/61/66/436506166.db2.gz MHLXVUTWQPGCHG-ZDUSSCGKSA-N 0 3 336.440 0.508 40 0 ECABHN CN(C)CCN1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C1=O ZINC000096244957 436526542 /nfs/dbraw/zinc/52/65/42/436526542.db2.gz AQDOYHVOWXFMQG-NEPJUHHUSA-N 0 3 343.474 0.389 40 0 ECABHN NCc1cnn(-c2ccccc2C(=O)NCCCN2CCOCC2)c1 ZINC000257290810 436863554 /nfs/dbraw/zinc/86/35/54/436863554.db2.gz QEKLOSNTEHZNML-UHFFFAOYSA-N 0 3 343.431 0.783 40 0 ECABHN CNC(=O)[C@]1(CCCc2cnccn2)CCCN(C(=O)C(C)(C)N)C1 ZINC000257292858 436864484 /nfs/dbraw/zinc/86/44/84/436864484.db2.gz QNFLTSJYXGHCSA-GOSISDBHSA-N 0 3 347.463 0.891 40 0 ECABHN Cc1cc(C)n(CC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257297993 436866499 /nfs/dbraw/zinc/86/64/99/436866499.db2.gz RJQSULZQNVWFGM-IRXDYDNUSA-N 0 3 349.479 0.099 40 0 ECABHN CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000306142093 437166897 /nfs/dbraw/zinc/16/68/97/437166897.db2.gz WPGPITCHIFOFNJ-AWEZNQCLSA-N 0 3 327.454 0.532 40 0 ECABHN CCc1ccc(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420138 438748428 /nfs/dbraw/zinc/74/84/28/438748428.db2.gz GGXPJMNAUMKENB-CYBMUJFWSA-N 0 3 346.474 0.386 40 0 ECABHN Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)c1 ZINC000575420858 438748812 /nfs/dbraw/zinc/74/88/12/438748812.db2.gz FSEFGODCFCXRRH-ZDUSSCGKSA-N 0 3 346.474 0.440 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O ZINC000514288590 438811790 /nfs/dbraw/zinc/81/17/90/438811790.db2.gz IUDCHPFCBOXYBS-HRCADAONSA-N 0 3 342.461 0.743 40 0 biogenic,in-vitro ECABHN CNC(=O)C[C@@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@H]1OC ZINC000585276136 439637544 /nfs/dbraw/zinc/63/75/44/439637544.db2.gz KEAQGDVKUNDAPN-UKRRQHHQSA-N 0 3 325.453 0.860 40 0 ECABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585284402 439639956 /nfs/dbraw/zinc/63/99/56/439639956.db2.gz FKQTYUXPXQNYLS-HOCLYGCPSA-N 0 3 326.824 0.768 40 0 ECABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cnc(NC)nc1 ZINC000585290478 439641007 /nfs/dbraw/zinc/64/10/07/439641007.db2.gz DRZBDXPUFZCSDS-KBXCAEBGSA-N 0 3 347.463 1.557 40 0 ECABHN CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN(C2CCOCC2)C1 ZINC000257271559 536397905 /nfs/dbraw/zinc/39/79/05/536397905.db2.gz MYUVIGYLELGYMV-OAHLLOKOSA-N 0 3 346.431 0.381 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)c2ccoc2)Cc2nnn(C)c21 ZINC000096045447 282108632 /nfs/dbraw/zinc/10/86/32/282108632.db2.gz SYSOQMKAQYPDGG-ZDUSSCGKSA-N 0 3 333.392 0.726 40 0 ECABHN N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034263536 212976382 /nfs/dbraw/zinc/97/63/82/212976382.db2.gz RVKIPWVMZANZLI-HIFRSBDPSA-N 0 3 332.404 0.736 40 0 endogenous,in-man ECABHN CNCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1 ZINC000072383032 216184094 /nfs/dbraw/zinc/18/40/94/216184094.db2.gz XXONPFREIVHLDY-GFCCVEGCSA-N 0 3 327.392 0.854 40 0 ECABHN CCS(=O)(=O)NCC[C@@H]1CCOC12CN(CC1CCOCC1)C2 ZINC000253492454 244004673 /nfs/dbraw/zinc/00/46/73/244004673.db2.gz PWPKGKQDUBUECM-OAHLLOKOSA-N 0 3 346.493 0.833 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCN2CCc3ccccc32)C1 ZINC000257218269 244172964 /nfs/dbraw/zinc/17/29/64/244172964.db2.gz DCLVLIUUONNDNK-MRXNPFEDSA-N 0 3 344.459 0.575 40 0 ECABHN CC(C)(C)c1cc(C(=O)N2[C@@H](CC(N)=O)CC[C@H]2C[NH3+])[n-]c(=O)n1 ZINC000257219859 244181466 /nfs/dbraw/zinc/18/14/66/244181466.db2.gz DIMVBNBLOARSJV-ZJUUUORDSA-N 0 3 335.408 0.287 40 0 ECABHN CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CCN(C2CCOCC2)C1 ZINC000257261698 244349385 /nfs/dbraw/zinc/34/93/85/244349385.db2.gz LILFGVATHBRKFH-AWEZNQCLSA-N 0 3 346.431 0.381 40 0 ECABHN CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N)c1 ZINC000003842020 435976882 /nfs/dbraw/zinc/97/68/82/435976882.db2.gz YXUGJOAWRMPQDZ-IGQOVBAYSA-N 0 3 332.364 0.197 40 0 biogenic,in-vitro ECABHN CN(C)c1cc(CN(C)S(=O)(=O)N(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760274 436108026 /nfs/dbraw/zinc/10/80/26/436108026.db2.gz YJRPZECGHUBNQW-LBPRGKRZSA-N 0 3 342.469 0.205 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)cn1 ZINC000096108804 436514185 /nfs/dbraw/zinc/51/41/85/436514185.db2.gz UPVKKBOQNZHTSB-AEFFLSMTSA-N 0 3 348.447 0.508 40 0 ECABHN Cn1ccnc1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)[C@@H]2CCCO[C@H]12 ZINC000096185933 436519217 /nfs/dbraw/zinc/51/92/17/436519217.db2.gz COABLFHCUBWNOP-GBJTYRQASA-N 0 3 334.420 0.418 40 0 ECABHN CN1CCC(NC(=O)[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)CC1 ZINC000096043245 436504941 /nfs/dbraw/zinc/50/49/41/436504941.db2.gz VPTDWWHIDQVMQD-IMJJTQAJSA-N 0 3 345.447 0.671 40 0 ECABHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(CC1CC1)C2 ZINC000096050463 436506486 /nfs/dbraw/zinc/50/64/86/436506486.db2.gz PHRSDTAZSNQKLS-KRWDZBQOSA-N 0 3 331.420 0.470 40 0 ECABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1 ZINC000096062624 436508045 /nfs/dbraw/zinc/50/80/45/436508045.db2.gz VRCGOKKWAMWHGW-OAHLLOKOSA-N 0 3 341.415 0.914 40 0 ECABHN CN(C)S(=O)(=O)N1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC000096108001 436511866 /nfs/dbraw/zinc/51/18/66/436511866.db2.gz ZZUXAAMFRFUOLU-LSDHHAIUSA-N 0 3 331.482 0.616 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)cn1 ZINC000096207095 436523346 /nfs/dbraw/zinc/52/33/46/436523346.db2.gz ZZLYTFBHZPTNFO-IUODEOHRSA-N 0 3 340.374 0.782 40 0 ECABHN CCn1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1C ZINC000257343284 436874355 /nfs/dbraw/zinc/87/43/55/436874355.db2.gz ZSGYBQMUCCILSC-UMVBOHGHSA-N 0 3 342.465 0.477 40 0 ECABHN Cc1nccn1CC(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257331913 436872654 /nfs/dbraw/zinc/87/26/54/436872654.db2.gz XUVCGCFWIBZKAU-BFYDXBDKSA-N 0 3 336.436 0.312 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306133918 437167607 /nfs/dbraw/zinc/16/76/07/437167607.db2.gz MZDYBZHJDJCCFF-UONOGXRCSA-N 0 3 338.415 0.870 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000585182336 439635357 /nfs/dbraw/zinc/63/53/57/439635357.db2.gz PVOUQJVAMACBCB-CQSZACIVSA-N 0 3 343.431 0.563 40 0 ECABHN O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1 ZINC000585285839 439639601 /nfs/dbraw/zinc/63/96/01/439639601.db2.gz UJNGPWCMDCZXBQ-HKUYNNGSSA-N 0 3 348.443 0.010 40 0 ECABHN CN1C[C@H](COCC(=O)N2CCCC2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093733 439628096 /nfs/dbraw/zinc/62/80/96/439628096.db2.gz AVTYNOZOBUYBOO-OAHLLOKOSA-N 0 3 347.463 0.555 40 0 ECABHN CN(C)CCN1CCOCC2(CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000096239851 282101457 /nfs/dbraw/zinc/10/14/57/282101457.db2.gz PNOLVYQXWBICQA-INIZCTEOSA-N 0 3 339.480 0.668 40 0 ECABHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197549 282144807 /nfs/dbraw/zinc/14/48/07/282144807.db2.gz QDXHHDZQUIDSJD-UHFFFAOYSA-N 0 3 326.422 0.003 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218070493 241295104 /nfs/dbraw/zinc/29/51/04/241295104.db2.gz PFDNRDUVVJRKFR-KCQAQPDRSA-N 0 3 327.402 0.714 40 0 ECABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(CN)COC ZINC000218145740 241301504 /nfs/dbraw/zinc/30/15/04/241301504.db2.gz LLXSNSPNPDJJQN-RBSFLKMASA-N 0 3 327.402 0.907 40 0 ECABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(CN)COC ZINC000218145967 241302592 /nfs/dbraw/zinc/30/25/92/241302592.db2.gz LLXSNSPNPDJJQN-SOUVJXGZSA-N 0 3 327.402 0.907 40 0 ECABHN NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN(C2CCOCC2)C1 ZINC000257245756 244254685 /nfs/dbraw/zinc/25/46/85/244254685.db2.gz IQYVJOCYUUNFFE-CQSZACIVSA-N 0 3 332.404 0.120 40 0 ECABHN CN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C[C@@H](C(N)=O)C1 ZINC000257240334 244241501 /nfs/dbraw/zinc/24/15/01/244241501.db2.gz HTBIROQSQGYFHJ-KRWDZBQOSA-N 0 3 329.444 0.983 40 0 ECABHN CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 ZINC000257241249 244246065 /nfs/dbraw/zinc/24/60/65/244246065.db2.gz HXHZUWYCQMLQRZ-AWEZNQCLSA-N 0 3 341.415 0.929 40 0 ECABHN CC(=O)N1CCC[C@H]1C(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257266412 244364903 /nfs/dbraw/zinc/36/49/03/244364903.db2.gz MCXMCEXRRUSNGV-INIZCTEOSA-N 0 3 345.447 0.913 40 0 ECABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257264071 244356418 /nfs/dbraw/zinc/35/64/18/244356418.db2.gz LSUHMDPIZUUKAU-HNNXBMFYSA-N 0 3 346.479 0.529 40 0 ECABHN CCOCC(=O)N1Cc2nccn2C[C@@H](CN2CCN(C)CC2)C1 ZINC000096067035 286024361 /nfs/dbraw/zinc/02/43/61/286024361.db2.gz KEIJPACNQWTZLL-OAHLLOKOSA-N 0 3 335.452 0.125 40 0 ECABHN COc1ccc(N([C@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013668567 436065132 /nfs/dbraw/zinc/06/51/32/436065132.db2.gz PUYGGJFPJMBWQK-GFCCVEGCSA-N 0 3 343.449 0.528 40 0 ECABHN CN1CC[C@@H]2[C@H]1CCCCN2C(=O)Cn1nc(C(F)(F)F)nc1N ZINC000019712536 436109301 /nfs/dbraw/zinc/10/93/01/436109301.db2.gz VJJYMPQBOMYDBD-NXEZZACHSA-N 0 3 346.357 0.964 40 0 ECABHN CN(C(=O)C1CCC(CNS(C)(=O)=O)CC1)C1CCN(C)CC1 ZINC000036709706 436258417 /nfs/dbraw/zinc/25/84/17/436258417.db2.gz SSLCONCFGVLGJD-UHFFFAOYSA-N 0 3 345.509 0.895 40 0 ECABHN CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccccc1 ZINC000096183816 436520007 /nfs/dbraw/zinc/52/00/07/436520007.db2.gz PUSWJNSVBXOBIW-LSDHHAIUSA-N 0 3 337.445 0.612 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@H](NC(=O)c1cnccn1)C2 ZINC000096189644 436520879 /nfs/dbraw/zinc/52/08/79/436520879.db2.gz PKUIWPSGTDLUOE-AWEZNQCLSA-N 0 3 341.415 0.487 40 0 ECABHN CN(Cc1ccco1)C[C@H]1Cn2ccnc2CN(S(C)(=O)=O)C1 ZINC000096188693 436521330 /nfs/dbraw/zinc/52/13/30/436521330.db2.gz IOUIEIVUILDTEE-ZDUSSCGKSA-N 0 3 338.433 1.000 40 0 ECABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccncc2)C3)cn1 ZINC000096061023 436508465 /nfs/dbraw/zinc/50/84/65/436508465.db2.gz HLUCSMXXCTZOAS-CQSZACIVSA-N 0 3 325.376 0.762 40 0 ECABHN CN(C)CCN1CCC2(CCN(C(=O)c3cnccn3)CC2)C1=O ZINC000096062934 436508731 /nfs/dbraw/zinc/50/87/31/436508731.db2.gz SGUKGOISLPYLJO-UHFFFAOYSA-N 0 3 331.420 0.493 40 0 ECABHN Cn1cc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cn1 ZINC000096061011 436508772 /nfs/dbraw/zinc/50/87/72/436508772.db2.gz YLYGWYBNNRIBGP-ZDUSSCGKSA-N 0 3 328.380 0.101 40 0 ECABHN Cn1ccnc1CN1CCC2(C[C@H](N3CCN(C)CC3)CO2)CC1 ZINC000096220821 436525254 /nfs/dbraw/zinc/52/52/54/436525254.db2.gz SHQLZDXXWAETGF-INIZCTEOSA-N 0 3 333.480 0.791 40 0 ECABHN O=c1n(Cc2cccc(F)c2)nc2c(N3CCNCC3)nccn12 ZINC000096530669 436534388 /nfs/dbraw/zinc/53/43/88/436534388.db2.gz SXRJOSFJOKYAKB-UHFFFAOYSA-N 0 3 328.351 0.488 40 0 ECABHN NC1c2cc(S(N)(=O)=O)ccc2-c2ccc(S(N)(=O)=O)cc21 ZINC000225746971 436713794 /nfs/dbraw/zinc/71/37/94/436713794.db2.gz UGLWPOVIVDBVQQ-UHFFFAOYSA-N 0 3 339.398 0.010 40 0 ECABHN CCOc1ccc(CN2CCN(C)C[C@H](C(=O)NC)C2)cc1CO ZINC000257324426 436872385 /nfs/dbraw/zinc/87/23/85/436872385.db2.gz WOQBQWATPGGTSA-INIZCTEOSA-N 0 3 335.448 0.687 40 0 ECABHN CN(CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)C1CCCC1 ZINC000257329366 436872948 /nfs/dbraw/zinc/87/29/48/436872948.db2.gz XJRJLZWCEJFBNV-KRWDZBQOSA-N 0 3 333.436 0.408 40 0 ECABHN Cc1ccn(CCC(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 ZINC000257336475 436874941 /nfs/dbraw/zinc/87/49/41/436874941.db2.gz YOPYJDDAAKVFFG-IRXDYDNUSA-N 0 3 349.479 0.181 40 0 ECABHN OCCCN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289528 438813239 /nfs/dbraw/zinc/81/32/39/438813239.db2.gz NGUCWUXQWKNELA-RBUKOAKNSA-N 0 3 345.487 0.417 40 0 biogenic,in-vitro ECABHN CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CCOCC1)CCC2 ZINC000096197551 282144720 /nfs/dbraw/zinc/14/47/20/282144720.db2.gz NQOYTQXJCAPUJV-UHFFFAOYSA-N 0 3 334.420 0.464 40 0 ECABHN CN(C)c1cc(C[C@@H]2CNCCN(C(=O)c3ccncc3)C2)ncn1 ZINC000072355130 216164192 /nfs/dbraw/zinc/16/41/92/216164192.db2.gz UMCCJKOCXSGHCC-CQSZACIVSA-N 0 3 340.431 0.842 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218131381 241300108 /nfs/dbraw/zinc/30/01/08/241300108.db2.gz DPYIVCDNAIVXRK-KCQAQPDRSA-N 0 3 341.385 0.434 40 0 ECABHN CN(CCN1CCCCC1)C(=O)Cn1nc(C(F)(F)F)nc1N ZINC000019656547 212052441 /nfs/dbraw/zinc/05/24/41/212052441.db2.gz WMWHKOAOBXOUHZ-UHFFFAOYSA-N 0 3 334.346 0.823 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)N2CCCC2)Cc2nnn(C)c21 ZINC000096045466 218532408 /nfs/dbraw/zinc/53/24/08/218532408.db2.gz MHLXVUTWQPGCHG-CYBMUJFWSA-N 0 3 336.440 0.508 40 0 ECABHN COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@@H](C)N)C1)O2 ZINC000012122820 286386389 /nfs/dbraw/zinc/38/63/89/286386389.db2.gz ZLPRBAUHNDQSCV-PIGZYNQJSA-N 0 3 333.388 0.526 40 0 ECABHN CNC(=O)[C@H]1CN(C(=O)C2CCCC2)CCN(C2CCOCC2)C1 ZINC000257260719 277253157 /nfs/dbraw/zinc/25/31/57/277253157.db2.gz LEAMSFLFTYHWFF-OAHLLOKOSA-N 0 3 337.464 0.862 40 0 ECABHN O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264384 436228349 /nfs/dbraw/zinc/22/83/49/436228349.db2.gz FRUWIPAWBVFJAI-OAGGEKHMSA-N 0 3 338.379 0.452 40 0 biogenic,in-vitro ECABHN O=C(c1ccncn1)N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096040936 436504580 /nfs/dbraw/zinc/50/45/80/436504580.db2.gz KRUDRRSDZWCAKA-IKGGRYGDSA-N 0 3 346.431 0.961 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)c2ccco2)Cc2nnn(C)c21 ZINC000096045444 436506729 /nfs/dbraw/zinc/50/67/29/436506729.db2.gz CIUIIQANERHAQA-GFCCVEGCSA-N 0 3 333.392 0.726 40 0 ECABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccn1 ZINC000096065756 436507848 /nfs/dbraw/zinc/50/78/48/436507848.db2.gz OMQXMDCEPOZZMN-LZLYRXPVSA-N 0 3 333.432 0.961 40 0 ECABHN Cc1cc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CCN(C)C)C2)no1 ZINC000096067607 436509903 /nfs/dbraw/zinc/50/99/03/436509903.db2.gz WSXXZAYECBLBFY-CQSZACIVSA-N 0 3 344.415 0.994 40 0 ECABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 ZINC000096076297 436511087 /nfs/dbraw/zinc/51/10/87/436511087.db2.gz KMWXUUWUNNSTOG-KRWDZBQOSA-N 0 3 336.436 0.621 40 0 ECABHN CN1CCC(NC(=O)[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)CC1 ZINC000097953357 436545807 /nfs/dbraw/zinc/54/58/07/436545807.db2.gz OOVSDJJLASSZSH-CRAIPNDOSA-N 0 3 345.447 0.672 40 0 ECABHN COCCN1C[C@@H](COC)C2(C1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000247952927 436797726 /nfs/dbraw/zinc/79/77/26/436797726.db2.gz MRVYTBJDTHXFNK-AWEZNQCLSA-N 0 3 349.497 0.100 40 0 ECABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(CCO)CC2 ZINC000257310370 436867545 /nfs/dbraw/zinc/86/75/45/436867545.db2.gz UEVAECJGBRNEFM-GUDVDZBRSA-N 0 3 345.443 0.779 40 0 ECABHN CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CN(C)C1CCCC1 ZINC000257308577 436868683 /nfs/dbraw/zinc/86/86/83/436868683.db2.gz TXGTYKBWXQMCJB-SFHVURJKSA-N 0 3 347.463 0.751 40 0 ECABHN CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1 ZINC000257332689 436872856 /nfs/dbraw/zinc/87/28/56/436872856.db2.gz XYGZPDZUMZBJEE-YRGRVCCFSA-N 0 3 328.438 0.028 40 0 ECABHN CN([C@H](C(=O)NC1CCN(C)CC1)c1ccccc1)S(C)(=O)=O ZINC000260846757 436877649 /nfs/dbraw/zinc/87/76/49/436877649.db2.gz YVUWVJOAGIMDOV-HNNXBMFYSA-N 0 3 339.461 0.830 40 0 ECABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(C(F)(F)F)n1 ZINC000329066858 437311043 /nfs/dbraw/zinc/31/10/43/437311043.db2.gz YDJWPKDPKDIYCY-JTQLQIEISA-N 0 3 333.358 0.904 40 0 ECABHN Cc1cccnc1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585293778 439641169 /nfs/dbraw/zinc/64/11/69/439641169.db2.gz AEBRTUARJZUMJX-ZSYWTGECSA-N 0 3 328.412 0.900 40 0 ECABHN CN(C)C/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585289061 439642124 /nfs/dbraw/zinc/64/21/24/439642124.db2.gz DXHLHPZGWUABFS-XDIASTCQSA-N 0 3 325.453 0.177 40 0 ECABHN CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCCC2)nn1 ZINC000008300133 560208660 /nfs/dbraw/zinc/20/86/60/560208660.db2.gz PDOILEBUMRZQGI-IMJJTQAJSA-N 0 3 332.452 0.330 40 0 biogenic,in-vitro ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@H]2CCCO2)C1 ZINC000096188997 282109168 /nfs/dbraw/zinc/10/91/68/282109168.db2.gz GOZRJUXIOPGJGV-GDBMZVCRSA-N 0 3 336.436 0.599 40 0 ECABHN CCN1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 ZINC000054121089 214216252 /nfs/dbraw/zinc/21/62/52/214216252.db2.gz FQBNKBBVURYZHV-HUUCEWRRSA-N 0 3 344.415 0.640 40 0 ECABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)CNC(C)=O)C1 ZINC000072354514 216164533 /nfs/dbraw/zinc/16/45/33/216164533.db2.gz JZRNWDDLNLLEQL-GOSISDBHSA-N 0 3 347.459 0.772 40 0 ECABHN Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257242862 244249101 /nfs/dbraw/zinc/24/91/01/244249101.db2.gz IENCJWKBZHJUAS-UMVBOHGHSA-N 0 3 342.465 0.466 40 0 ECABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257264072 244356644 /nfs/dbraw/zinc/35/66/44/244356644.db2.gz LSUHMDPIZUUKAU-OAHLLOKOSA-N 0 3 346.479 0.529 40 0 ECABHN CCn1c2ncc3c(c2c(=O)n(CCN)c1=O)CC(C)(C)CC3=O ZINC000022610641 276712640 /nfs/dbraw/zinc/71/26/40/276712640.db2.gz JFLDFTCOTIGTIT-UHFFFAOYSA-N 0 3 330.388 0.692 40 0 ECABHN COc1ccc(C)cc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000010111566 436036565 /nfs/dbraw/zinc/03/65/65/436036565.db2.gz YCWZTDFGCSSOOX-UHFFFAOYSA-N 0 3 343.449 0.447 40 0 ECABHN CCn1ccc(C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)n1 ZINC000019745451 436107295 /nfs/dbraw/zinc/10/72/95/436107295.db2.gz ODDJMTWYSCLAKP-HNNXBMFYSA-N 0 3 347.463 0.967 40 0 ECABHN C[C@@H]1N(CCN(C)C)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096201537 436523893 /nfs/dbraw/zinc/52/38/93/436523893.db2.gz ZCPDXXTXIYKNNV-AWEZNQCLSA-N 0 3 348.447 0.798 40 0 ECABHN CN(C)CCN1CCN(C)C2(CCN(c3cnccn3)CC2)C1=O ZINC000096230062 436527206 /nfs/dbraw/zinc/52/72/06/436527206.db2.gz CTIDTCCEBGPQOR-UHFFFAOYSA-N 0 3 332.452 0.151 40 0 ECABHN CCCNC(=O)N[C@H]1CO[C@@H](CN(C)CCc2ccccc2)[C@@H]1O ZINC000514288793 438813988 /nfs/dbraw/zinc/81/39/88/438813988.db2.gz DBOSJRZVTMIPPT-YESZJQIVSA-N 0 3 335.448 0.998 40 0 biogenic,in-vitro ECABHN C[C@@H](N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012144252 524986928 /nfs/dbraw/zinc/98/69/28/524986928.db2.gz WCXOOIKAGWRFDY-CYBMUJFWSA-N 0 3 343.431 0.881 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)CCCn3ccnc3)CC[C@@H]2O)CC1 ZINC000257201703 244120170 /nfs/dbraw/zinc/12/01/70/244120170.db2.gz AIQVCDYUMSORMT-IRXDYDNUSA-N 0 3 349.479 0.263 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCCn2nc(C)cc2C)C1 ZINC000257252684 244272071 /nfs/dbraw/zinc/27/20/71/244272071.db2.gz JVSGAKJENMTYAE-OAHLLOKOSA-N 0 3 335.452 0.416 40 0 ECABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2OC)[C@@H]1O ZINC000012483640 211392466 /nfs/dbraw/zinc/39/24/66/211392466.db2.gz KCTBWWZPDORMQG-HSFUPAIVSA-N 0 3 336.432 0.980 40 0 biogenic,in-vitro ECABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000122839850 222170788 /nfs/dbraw/zinc/17/07/88/222170788.db2.gz MMRFCYWZDKJKNM-AWEZNQCLSA-N 0 3 339.461 0.765 40 0 ECABHN O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186299 280232238 /nfs/dbraw/zinc/23/22/38/280232238.db2.gz GGVFLTKAUJRQBZ-HOTGVXAUSA-N 0 3 343.431 0.778 40 0 ECABHN Cc1ccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c(C)c1 ZINC000010111554 436038546 /nfs/dbraw/zinc/03/85/46/436038546.db2.gz YAPUQNIFNWNMHE-UHFFFAOYSA-N 0 3 327.450 0.747 40 0 ECABHN O=S1(=O)CC[C@@H](OCCCCCN[C@H]2CCS(=O)(=O)C2)C1 ZINC000040177508 436263116 /nfs/dbraw/zinc/26/31/16/436263116.db2.gz DWSCIUVDGYPMSM-QWHCGFSZSA-N 0 3 339.479 0.137 40 0 ECABHN Cn1nnc2c1CCN(C(=O)C1CC1)[C@H]2COCCN1CCCC1 ZINC000096045310 436507020 /nfs/dbraw/zinc/50/70/20/436507020.db2.gz PTRLJFHGMHOIDQ-HNNXBMFYSA-N 0 3 333.436 0.763 40 0 ECABHN CN(C)C(=O)CN1CCC2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096046851 436507137 /nfs/dbraw/zinc/50/71/37/436507137.db2.gz QSKKTIILGXWNSE-UHFFFAOYSA-N 0 3 330.432 0.984 40 0 ECABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096047821 436507300 /nfs/dbraw/zinc/50/73/00/436507300.db2.gz WBNBOPDUODZNNV-OAHLLOKOSA-N 0 3 336.436 0.648 40 0 ECABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccncc3)CC[C@@H]21 ZINC000096082191 436509745 /nfs/dbraw/zinc/50/97/45/436509745.db2.gz ZSOCNNLVGHORTI-DLBZAZTESA-N 0 3 332.448 0.949 40 0 ECABHN CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3cccnc3)C2)C1=O ZINC000096224176 436525459 /nfs/dbraw/zinc/52/54/59/436525459.db2.gz AAUURRPQNIOPFA-SFHVURJKSA-N 0 3 330.432 0.984 40 0 ECABHN N[C@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)C1 ZINC000096530688 436533671 /nfs/dbraw/zinc/53/36/71/436533671.db2.gz FIOLBRKZVHZYTE-LBPRGKRZSA-N 0 3 328.351 0.616 40 0 ECABHN Cn1nccc1C(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257284317 436861379 /nfs/dbraw/zinc/86/13/79/436861379.db2.gz PCFIOYABUDYODX-AWEZNQCLSA-N 0 3 328.363 0.728 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306133917 437168566 /nfs/dbraw/zinc/16/85/66/437168566.db2.gz MZDYBZHJDJCCFF-KGLIPLIRSA-N 0 3 338.415 0.870 40 0 ECABHN CCN(C)S(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000180376071 437287353 /nfs/dbraw/zinc/28/73/53/437287353.db2.gz AUQSFEJTHHOJOZ-MRXNPFEDSA-N 0 3 341.477 0.929 40 0 ECABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)n1 ZINC000328960023 437292815 /nfs/dbraw/zinc/29/28/15/437292815.db2.gz AWIHGWAAROVKKL-HNNXBMFYSA-N 0 3 342.447 0.947 40 0 ECABHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514289837 438813843 /nfs/dbraw/zinc/81/38/43/438813843.db2.gz PBTSIJJSBRGSOP-ZWKOTPCHSA-N 0 3 328.460 0.939 40 0 biogenic,in-vitro ECABHN O=C(C1CC(F)C1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000585107719 439629707 /nfs/dbraw/zinc/62/97/07/439629707.db2.gz SRMMKTWDFWXJEM-FJBKBRRZSA-N 0 3 325.428 0.742 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000585182331 439635925 /nfs/dbraw/zinc/63/59/25/439635925.db2.gz NUNZOMQNFAZJFG-INIZCTEOSA-N 0 3 332.448 0.498 40 0 ECABHN Cc1cccc(O[C@@H]2CCC[C@H](NCCNS(C)(=O)=O)[C@H]2O)c1 ZINC000585288571 439641429 /nfs/dbraw/zinc/64/14/29/439641429.db2.gz DXRNSDKQZAQUOM-ARFHVFGLSA-N 0 3 342.461 0.795 40 0 ECABHN CNC(=O)[C@H]1CN(C(=O)c2ccccn2)CCN(C2CCOCC2)C1 ZINC000257261699 536397947 /nfs/dbraw/zinc/39/79/47/536397947.db2.gz LILFGVATHBRKFH-CQSZACIVSA-N 0 3 346.431 0.381 40 0 ECABHN CNCC(=O)N1CCC[C@](CCCc2cccnc2)(C(=O)NC)C1 ZINC000257203413 244127185 /nfs/dbraw/zinc/12/71/85/244127185.db2.gz APYDAERBAIYXJR-SFHVURJKSA-N 0 3 332.448 0.979 40 0 ECABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC)cc2)[C@@H]1O ZINC000012483551 211392211 /nfs/dbraw/zinc/39/22/11/211392211.db2.gz AWGVZAALCGUFAS-HSFUPAIVSA-N 0 3 336.432 0.980 40 0 biogenic,in-vitro ECABHN CS(=O)(=O)NCc1cncc2c1CCN(C[C@@H]1CCOC1)C2 ZINC000096189485 436521721 /nfs/dbraw/zinc/52/17/21/436521721.db2.gz XIKCVFZDXKEHPT-LBPRGKRZSA-N 0 3 325.434 0.525 40 0 ECABHN CCS(=O)(=O)N1CCc2c(COCCN(C)C)cncc2C1 ZINC000096189354 436521822 /nfs/dbraw/zinc/52/18/22/436521822.db2.gz RZWQPAZTXIBTGE-UHFFFAOYSA-N 0 3 327.450 0.868 40 0 ECABHN O=C(c1cccnc1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054386 436506883 /nfs/dbraw/zinc/50/68/83/436506883.db2.gz AXJCXTVZMSLPEB-SJORKVTESA-N 0 3 330.432 0.703 40 0 ECABHN CN(C)CCOC[C@@H]1CN(Cc2nccs2)Cc2nnn(C)c21 ZINC000096060663 436508693 /nfs/dbraw/zinc/50/86/93/436508693.db2.gz QZUKNBLSNOCMCS-LBPRGKRZSA-N 0 3 336.465 0.949 40 0 ECABHN Cn1cc(CN2C[C@@H]3CN(Cc4cnn(C)c4)CCO[C@@H]3C2)cn1 ZINC000096108100 436513517 /nfs/dbraw/zinc/51/35/17/436513517.db2.gz NDZGRIRHCCPZPR-DLBZAZTESA-N 0 3 330.436 0.486 40 0 ECABHN C[C@H]1N(CCN(C)C)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 ZINC000096201526 436523480 /nfs/dbraw/zinc/52/34/80/436523480.db2.gz MKRMIKMKIHRJNO-OAHLLOKOSA-N 0 3 349.479 0.564 40 0 ECABHN COc1cccc(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)c1 ZINC000257318281 436870913 /nfs/dbraw/zinc/87/09/13/436870913.db2.gz VNFVJOKVGMTMNI-ROUUACIJSA-N 0 3 347.459 0.908 40 0 ECABHN CNCC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1 ZINC000257322676 436871329 /nfs/dbraw/zinc/87/13/29/436871329.db2.gz WGYLKNUOYWFVSV-GOSISDBHSA-N 0 3 347.463 0.716 40 0 ECABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708718 438583233 /nfs/dbraw/zinc/58/32/33/438583233.db2.gz LKDVMMYNEMGVLW-UHFFFAOYSA-N 0 3 346.431 0.975 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)C1CC(F)C1)CCC2 ZINC000585110542 439630869 /nfs/dbraw/zinc/63/08/69/439630869.db2.gz REFHUUOJLAWJTQ-UHFFFAOYSA-N 0 3 339.415 0.837 40 0 ECABHN COc1cc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)cc2c1OCCCO2 ZINC000585287364 439639707 /nfs/dbraw/zinc/63/97/07/439639707.db2.gz YRCVVGTYZKRCLJ-IOASZLSFSA-N 0 3 339.388 0.314 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218070423 535596344 /nfs/dbraw/zinc/59/63/44/535596344.db2.gz PFDNRDUVVJRKFR-YDHLFZDLSA-N 0 3 327.402 0.714 40 0 ECABHN CN1CCN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257202043 244121227 /nfs/dbraw/zinc/12/12/27/244121227.db2.gz AKFNBCLZQMFDSQ-LLVKDONJSA-N 0 3 327.787 0.897 40 0 ECABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cnn(C)c3)C[C@H]1C2 ZINC000306136087 257922783 /nfs/dbraw/zinc/92/27/83/257922783.db2.gz PISBSNXNUBZQMM-KGLIPLIRSA-N 0 3 343.435 0.454 40 0 ECABHN CCS(=O)(=O)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 ZINC000096062340 280015178 /nfs/dbraw/zinc/01/51/78/280015178.db2.gz JMNFSMRPPLEUBU-HNNXBMFYSA-N 0 3 332.466 0.539 40 0 ECABHN COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@H](C)N)C1)O2 ZINC000012122826 295256495 /nfs/dbraw/zinc/25/64/95/295256495.db2.gz ZLPRBAUHNDQSCV-GTNSWQLSSA-N 0 3 333.388 0.526 40 0 ECABHN CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2ccco2)CC3)CC1 ZINC000096187418 436522129 /nfs/dbraw/zinc/52/21/29/436522129.db2.gz ATVFWEACBYSROC-UHFFFAOYSA-N 0 3 329.404 0.949 40 0 ECABHN COCCNC(=O)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 ZINC000096066184 436508613 /nfs/dbraw/zinc/50/86/13/436508613.db2.gz VNWPVYXAYXMZKE-HRCADAONSA-N 0 3 325.453 0.324 40 0 ECABHN CS(=O)(=O)NC[C@H]1OC[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000096092166 436511445 /nfs/dbraw/zinc/51/14/45/436511445.db2.gz QMOGRZUSNFOCAH-SOUVJXGZSA-N 0 3 325.434 0.468 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257326026 436873637 /nfs/dbraw/zinc/87/36/37/436873637.db2.gz WVMBIUTVJLXDNQ-JTQLQIEISA-N 0 3 328.800 0.397 40 0 ECABHN COCC(=O)NC[C@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000306124284 437165411 /nfs/dbraw/zinc/16/54/11/437165411.db2.gz BLSINHYHJIBDNX-OAHLLOKOSA-N 0 3 336.436 0.504 40 0 ECABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)n1 ZINC000328967545 437295459 /nfs/dbraw/zinc/29/54/59/437295459.db2.gz CUXKOGCXRCSULY-HNNXBMFYSA-N 0 3 342.447 0.947 40 0 ECABHN CCc1ccc(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420139 438748469 /nfs/dbraw/zinc/74/84/69/438748469.db2.gz GGXPJMNAUMKENB-ZDUSSCGKSA-N 0 3 346.474 0.386 40 0 ECABHN O=C(c1ccnc(F)c1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000585107720 439629799 /nfs/dbraw/zinc/62/97/99/439629799.db2.gz XGRBMPGPCPLWBL-CVEARBPZSA-N 0 3 348.422 0.842 40 0 ECABHN CN(CCC(=O)N1CC[C@H]2OCC(=O)N(C)[C@H]2C1)Cc1cccnc1 ZINC000257259531 536304035 /nfs/dbraw/zinc/30/40/35/536304035.db2.gz KYTVONSMKQQFLZ-JKSUJKDBSA-N 0 3 346.431 0.362 40 0 ECABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@]1(CN)COC ZINC000242548447 545934680 /nfs/dbraw/zinc/93/46/80/545934680.db2.gz LLXSNSPNPDJJQN-KFWWJZLASA-N 0 3 327.402 0.907 40 0 ECABHN CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008297992 564164092 /nfs/dbraw/zinc/16/40/92/564164092.db2.gz FKNCYKDUQFWNGR-MJBXVCDLSA-N 0 3 335.452 0.741 40 0 biogenic,in-vitro ECABHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000004373357 210181346 /nfs/dbraw/zinc/18/13/46/210181346.db2.gz FDMVHHVYOGARCF-IVMMDQJWSA-N 0 3 349.431 0.854 40 0 ECABHN CN(C)CCNc1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000072365005 216171980 /nfs/dbraw/zinc/17/19/80/216171980.db2.gz SRSQAOSFTGBVHN-LBPRGKRZSA-N 0 3 327.454 0.589 40 0 ECABHN C[NH2+]CC(=O)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072383018 216184158 /nfs/dbraw/zinc/18/41/58/216184158.db2.gz CXPHLVUDAWJVRZ-LBPRGKRZSA-N 0 3 327.392 0.936 40 0 ECABHN CCOC[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133903 241300396 /nfs/dbraw/zinc/30/03/96/241300396.db2.gz CPFFRSNGZKOVOH-ILXRZTDVSA-N 0 3 327.402 0.907 40 0 ECABHN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)Nc1ccccc1 ZINC000020465033 212135062 /nfs/dbraw/zinc/13/50/62/212135062.db2.gz QECQIILHBCQFHE-FXUDXRNXSA-N 0 3 335.404 0.393 40 0 biogenic,in-vitro ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCn2ncc3ccccc32)C1 ZINC000257248558 244263245 /nfs/dbraw/zinc/26/32/45/244263245.db2.gz JEFDRVZLXJNQTC-OAHLLOKOSA-N 0 3 343.431 0.563 40 0 ECABHN Cc1nc(N2CCOCC2)nc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096254567 218725132 /nfs/dbraw/zinc/72/51/32/218725132.db2.gz LLYHQNXFLBWZBV-UHFFFAOYSA-N 0 3 342.447 0.956 40 0 ECABHN COCCN1CC2(C[C@@H]1COC)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096206120 285008898 /nfs/dbraw/zinc/00/88/98/285008898.db2.gz DPYCGUMCBZARTQ-CQSZACIVSA-N 0 3 349.497 0.242 40 0 ECABHN Cc1ccccc1OC[C@@H](O)CNCCn1cc(C)c(=O)[nH]c1=O ZINC000001532363 435958355 /nfs/dbraw/zinc/95/83/55/435958355.db2.gz RETPFDTUCPKFEC-AWEZNQCLSA-N 0 3 333.388 0.183 40 0 in-man ECABHN COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1 ZINC000030878706 436224255 /nfs/dbraw/zinc/22/42/55/436224255.db2.gz CBWBMYDVGSDMRO-JYJNAYRXSA-N 0 3 344.452 0.158 40 0 biogenic,in-vitro ECABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000045164771 436361832 /nfs/dbraw/zinc/36/18/32/436361832.db2.gz RWTCYENJTFHZND-UHFFFAOYSA-N 0 3 339.461 0.765 40 0 ECABHN COCCN1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cnc(C)cn1)C2 ZINC000096202383 436522335 /nfs/dbraw/zinc/52/23/35/436522335.db2.gz IFLBVXFEDXQJAX-KDOFPFPSSA-N 0 3 348.447 0.842 40 0 ECABHN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccncc3)CC2)O1 ZINC000096062623 436508414 /nfs/dbraw/zinc/50/84/14/436508414.db2.gz VRCGOKKWAMWHGW-HNNXBMFYSA-N 0 3 341.415 0.914 40 0 ECABHN COc1cc(N2CCc3ccc(=O)n(CCN(C)C)c3CC2)ncn1 ZINC000096067730 436510244 /nfs/dbraw/zinc/51/02/44/436510244.db2.gz COMXXQDTDLNGCY-UHFFFAOYSA-N 0 3 343.431 0.814 40 0 ECABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)n1 ZINC000096108700 436512942 /nfs/dbraw/zinc/51/29/42/436512942.db2.gz DXSMGRNXEWBNFW-QAPCUYQASA-N 0 3 333.432 0.943 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2nnc(C(C)C)o2)C1 ZINC000257282495 436862554 /nfs/dbraw/zinc/86/25/54/436862554.db2.gz OTYMPKCNENZFLL-LBPRGKRZSA-N 0 3 337.424 0.262 40 0 ECABHN O=C(CO)N1CCC[C@@](O)(CN2CCN(c3ccccc3)CC2)CC1 ZINC000257299576 436865478 /nfs/dbraw/zinc/86/54/78/436865478.db2.gz RQQHAFVWNXJEAI-IBGZPJMESA-N 0 3 347.459 0.545 40 0 ECABHN CCOc1ccc(CN2CCN(C)C[C@@H](C(=O)NC)C2)cc1CO ZINC000257324427 436873147 /nfs/dbraw/zinc/87/31/47/436873147.db2.gz WOQBQWATPGGTSA-MRXNPFEDSA-N 0 3 335.448 0.687 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@@H](NS(=O)(=O)c2cccs2)[C@H]1O ZINC000514288951 438812850 /nfs/dbraw/zinc/81/28/50/438812850.db2.gz LOBQNCPBBIPSPQ-NTZNESFSSA-N 0 3 334.463 0.497 40 0 biogenic,in-vitro ECABHN COCCN1CCOC[C@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 ZINC000585104994 439629680 /nfs/dbraw/zinc/62/96/80/439629680.db2.gz XPCBLCIYYMHEBD-QGZVFWFLSA-N 0 3 337.420 0.989 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218131120 535596518 /nfs/dbraw/zinc/59/65/18/535596518.db2.gz DPYIVCDNAIVXRK-IPYPFGDCSA-N 0 3 341.385 0.434 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000257256750 536398401 /nfs/dbraw/zinc/39/84/01/536398401.db2.gz KMTBYPRAKBUKQS-ZDUSSCGKSA-N 0 3 346.431 0.416 40 0 ECABHN CC(=O)N1CCC(NC2(Cc3cc(CN(C)C)on3)COC2)CC1 ZINC000067897780 215245400 /nfs/dbraw/zinc/24/54/00/215245400.db2.gz UDIPLAYWDMWKTH-UHFFFAOYSA-N 0 3 336.436 0.648 40 0 biogenic,in-vitro ECABHN CCOC[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218134079 241299171 /nfs/dbraw/zinc/29/91/71/241299171.db2.gz CPFFRSNGZKOVOH-KKUMJFAQSA-N 0 3 327.402 0.907 40 0 ECABHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OC(C)(C)C ZINC000079419994 284099555 /nfs/dbraw/zinc/09/95/55/284099555.db2.gz HWIVCTVMXOBHGQ-RYUDHWBXSA-N 0 3 343.424 0.591 40 0 ECABHN COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](N)C(C)C)C(C)C)C(C)C ZINC000004778065 210277509 /nfs/dbraw/zinc/27/75/09/210277509.db2.gz LIUXYJCYYMVZRA-UPJWGTAASA-N 0 3 329.441 0.424 40 0 ECABHN CN1CCN(C(=O)CCn2cnc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257319805 277089543 /nfs/dbraw/zinc/08/95/43/277089543.db2.gz VUCDPHLTWXFMPP-ZDUSSCGKSA-N 0 3 329.404 0.302 40 0 ECABHN CN(C)C(=O)CN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096157802 436517008 /nfs/dbraw/zinc/51/70/08/436517008.db2.gz BRIYWIGNFAAMCJ-UHFFFAOYSA-N 0 3 330.432 0.984 40 0 ECABHN CN(C)CCOC[C@H]1CN(Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060676 436509250 /nfs/dbraw/zinc/50/92/50/436509250.db2.gz HLHIEIYQUOEJFM-OAHLLOKOSA-N 0 3 330.436 0.888 40 0 ECABHN COCCC(=O)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096073998 436511096 /nfs/dbraw/zinc/51/10/96/436511096.db2.gz BFENYVVZPMMPBM-SFHVURJKSA-N 0 3 337.464 0.960 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1cccnc1)CCC2 ZINC000096084345 436512744 /nfs/dbraw/zinc/51/27/44/436512744.db2.gz IKWZSWCKFIYVPB-UHFFFAOYSA-N 0 3 344.419 0.797 40 0 ECABHN CN(C)c1cc(C[C@H]2CN(C)CCN(c3ncccn3)C2)ncn1 ZINC000257283006 436862762 /nfs/dbraw/zinc/86/27/62/436862762.db2.gz OWIMCJGMZJEMJC-AWEZNQCLSA-N 0 3 327.436 0.943 40 0 ECABHN COCCNC[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O ZINC000585286742 439640363 /nfs/dbraw/zinc/64/03/63/439640363.db2.gz UPRKVASVASINSA-AEFFLSMTSA-N 0 3 336.432 0.180 40 0 ECABHN CO[C@H]1CCCN(C(=O)/C=C/CN(C)C)[C@H]1CCC(=O)N(C)C ZINC000585289278 439641328 /nfs/dbraw/zinc/64/13/28/439641328.db2.gz HFDJHVMYPZEOTR-LADOHOGBSA-N 0 3 325.453 0.979 40 0 ECABHN COc1ncccc1C(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257242647 537152723 /nfs/dbraw/zinc/15/27/23/537152723.db2.gz IDLQTPXMHTTZBA-HOTGVXAUSA-N 0 3 348.447 0.303 40 0 ECABHN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCN(C)C ZINC000224903919 564043905 /nfs/dbraw/zinc/04/39/05/564043905.db2.gz ANIFKGJFWXTHJH-GFCCVEGCSA-N 0 3 343.449 0.528 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)c2ccncc2)Cc2nnn(C)c21 ZINC000096068817 282109129 /nfs/dbraw/zinc/10/91/29/282109129.db2.gz UFBXACUJBVRQPJ-CQSZACIVSA-N 0 3 344.419 0.528 40 0 ECABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)c3ccccn3)C2)ncn1 ZINC000072355135 216164223 /nfs/dbraw/zinc/16/42/23/216164223.db2.gz MKKMRYRQPDSAHC-AWEZNQCLSA-N 0 3 340.431 0.842 40 0 ECABHN Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nc(C2CCN(C)CC2)n1 ZINC000072365919 216171698 /nfs/dbraw/zinc/17/16/98/216171698.db2.gz GEHHAUPEJVPCEW-UHFFFAOYSA-N 0 3 345.447 0.932 40 0 ECABHN Cc1cc(N(C)C)cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257204358 244129842 /nfs/dbraw/zinc/12/98/42/244129842.db2.gz AUDWJJFJHXPKRY-AWEZNQCLSA-N 0 3 328.438 0.636 40 0 ECABHN O=C(c1ccc(=O)[nH]n1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257231009 244212434 /nfs/dbraw/zinc/21/24/34/244212434.db2.gz GEUSIZQSCPSCLD-AWEZNQCLSA-N 0 3 342.346 0.078 40 0 ECABHN O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCC2 ZINC000257274117 244386970 /nfs/dbraw/zinc/38/69/70/244386970.db2.gz NJQHUDKHPCEBDL-IIAWOOMASA-N 0 3 334.420 0.242 40 0 ECABHN CN1CCC[C@H](NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 ZINC000019749814 212062362 /nfs/dbraw/zinc/06/23/62/212062362.db2.gz UINQVOQGWNLMCS-ZDUSSCGKSA-N 0 3 342.403 0.741 40 0 ECABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096228776 218705287 /nfs/dbraw/zinc/70/52/87/218705287.db2.gz WEGCMHCUOCXHCA-KRWDZBQOSA-N 0 3 336.436 0.621 40 0 ECABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@@H]2OC ZINC000096109407 436514121 /nfs/dbraw/zinc/51/41/21/436514121.db2.gz XUDHREMINVGAKW-ZNMIVQPWSA-N 0 3 325.434 0.811 40 0 ECABHN O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](OCCN3CCCC3)CO2)C1 ZINC000096110865 436514264 /nfs/dbraw/zinc/51/42/64/436514264.db2.gz BSFSBFXKZLUGKX-HOCLYGCPSA-N 0 3 344.477 0.824 40 0 ECABHN CS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2CC2CC2)C1 ZINC000096185662 436519020 /nfs/dbraw/zinc/51/90/20/436519020.db2.gz XNRKIFHEJJCQBO-ILXRZTDVSA-N 0 3 339.465 0.413 40 0 ECABHN Cn1cc(-c2nnn3c2CO[C@@H](CNCc2cccnc2)C3)cn1 ZINC000096061020 436508865 /nfs/dbraw/zinc/50/88/65/436508865.db2.gz DZHZQLISNMOYDL-AWEZNQCLSA-N 0 3 325.376 0.762 40 0 ECABHN CN(C)CCN1CC2(CCN(Cc3nccn3C)CC2)OCC1=O ZINC000096201352 436522871 /nfs/dbraw/zinc/52/28/71/436522871.db2.gz LMVTUYGKVBTYLQ-UHFFFAOYSA-N 0 3 335.452 0.175 40 0 ECABHN COc1ccc(CN2C(=O)CO[C@@H]3CN(CCN(C)C)C[C@H]32)cc1 ZINC000096081667 436510523 /nfs/dbraw/zinc/51/05/23/436510523.db2.gz KKLSMDCCHUWSMW-IAGOWNOFSA-N 0 3 333.432 0.668 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccoc1)CCC2 ZINC000096084342 436511940 /nfs/dbraw/zinc/51/19/40/436511940.db2.gz ZXGRCHCNGIJTTN-UHFFFAOYSA-N 0 3 333.392 0.995 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccnnc1)CCC2 ZINC000096084346 436512711 /nfs/dbraw/zinc/51/27/11/436512711.db2.gz RIVAKXKUQQGGLJ-UHFFFAOYSA-N 0 3 345.407 0.192 40 0 ECABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096228842 436527326 /nfs/dbraw/zinc/52/73/26/436527326.db2.gz RTVGNLMPRODAMJ-SFHVURJKSA-N 0 3 332.448 0.742 40 0 ECABHN N[C@H]1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)C1 ZINC000096530692 436533919 /nfs/dbraw/zinc/53/39/19/436533919.db2.gz RWGVHHCMZDUWJG-ZDUSSCGKSA-N 0 3 328.351 0.616 40 0 ECABHN Cc1cnc(N2CCO[C@@]3(C2)COCCN(CCN(C)C)C3)nc1 ZINC000096229391 302351641 /nfs/dbraw/zinc/35/16/41/302351641.db2.gz NKUBZQBKXLXUKR-KRWDZBQOSA-N 0 3 335.452 0.254 40 0 ECABHN CN1CCN(C[C@]2(O)CCN(C(=O)[C@]3(C)CCCCN3C)C2)CC1 ZINC000248077229 436799757 /nfs/dbraw/zinc/79/97/57/436799757.db2.gz HOMKOLMDEUFOBL-ZWKOTPCHSA-N 0 3 338.496 0.072 40 0 ECABHN CC(=O)N1CCC([N@@H+]2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)CC1 ZINC000257310404 436868276 /nfs/dbraw/zinc/86/82/76/436868276.db2.gz UEYHKSMWQZAOOE-CQSZACIVSA-N 0 3 334.420 0.684 40 0 ECABHN CC(=O)N1CCC([N@H+]2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)CC1 ZINC000257310404 436868279 /nfs/dbraw/zinc/86/82/79/436868279.db2.gz UEYHKSMWQZAOOE-CQSZACIVSA-N 0 3 334.420 0.684 40 0 ECABHN COc1ccc(CN(C)[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)cc1 ZINC000257332836 436872905 /nfs/dbraw/zinc/87/29/05/436872905.db2.gz XYXPYNRRQNHNSM-QZTJIDSGSA-N 0 3 347.459 0.795 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306126568 437163650 /nfs/dbraw/zinc/16/36/50/437163650.db2.gz DZCVFYQEMCLMAB-KBPBESRZSA-N 0 3 338.415 0.870 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306126571 437165525 /nfs/dbraw/zinc/16/55/25/437165525.db2.gz DZCVFYQEMCLMAB-ZIAGYGMSSA-N 0 3 338.415 0.870 40 0 ECABHN O=C(N1CC2(C1)C[C@@H](CO)CN2CC1CC1)C1(F)CCOCC1 ZINC000585093803 439627320 /nfs/dbraw/zinc/62/73/20/439627320.db2.gz GRBJYGJNBYCCNQ-CQSZACIVSA-N 0 3 326.412 0.810 40 0 ECABHN C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)C2)[C@H]3O ZINC000257212936 244157980 /nfs/dbraw/zinc/15/79/80/244157980.db2.gz CFMVVOYYEFTHCD-RIOGYKSTSA-N 0 3 348.403 0.194 40 0 ECABHN C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)C2)[C@H]3O ZINC000257212936 244157987 /nfs/dbraw/zinc/15/79/87/244157987.db2.gz CFMVVOYYEFTHCD-RIOGYKSTSA-N 0 3 348.403 0.194 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2c(C)nc3ccccn32)C1 ZINC000257224200 244195562 /nfs/dbraw/zinc/19/55/62/244195562.db2.gz FASFJVIRZUQIDG-CQSZACIVSA-N 0 3 343.431 0.321 40 0 ECABHN O=C(COc1ccc(CN2CC[C@@H](CO)C2)cc1)N1CCOCC1 ZINC000012191761 211315995 /nfs/dbraw/zinc/31/59/95/211315995.db2.gz XGALLLMZGKIUHO-MRXNPFEDSA-N 0 3 334.416 0.738 40 0 ECABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000252514483 257659767 /nfs/dbraw/zinc/65/97/67/257659767.db2.gz CPFFRSNGZKOVOH-RBSFLKMASA-N 0 3 327.402 0.907 40 0 ECABHN CNCc1cc(NC)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000019760775 436108481 /nfs/dbraw/zinc/10/84/81/436108481.db2.gz GZTPRIHPRNWGQZ-NSHDSACASA-N 0 3 328.442 0.181 40 0 ECABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000044901344 436352780 /nfs/dbraw/zinc/35/27/80/436352780.db2.gz KDZLYSXSEPPEJJ-UHFFFAOYSA-N 0 3 345.490 0.827 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2ccnnc2)C1 ZINC000096188982 436522080 /nfs/dbraw/zinc/52/20/80/436522080.db2.gz JMYJXKDTMHUZEQ-AWEZNQCLSA-N 0 3 344.419 0.524 40 0 ECABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1cccnc1OC)C2 ZINC000096038702 436504844 /nfs/dbraw/zinc/50/48/44/436504844.db2.gz YBYVWWUJNNSWQK-CRAIPNDOSA-N 0 3 349.431 0.834 40 0 ECABHN CN(C)CCN1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049776 436506388 /nfs/dbraw/zinc/50/63/88/436506388.db2.gz HBFOALUOMROWGV-INIZCTEOSA-N 0 3 340.493 0.608 40 0 ECABHN O=S(=O)(C1CC1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096057943 436508017 /nfs/dbraw/zinc/50/80/17/436508017.db2.gz UGLYBHBDXUTVFT-ARFHVFGLSA-N 0 3 344.477 0.823 40 0 ECABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@H]2OC ZINC000096108529 436513163 /nfs/dbraw/zinc/51/31/63/436513163.db2.gz XUDHREMINVGAKW-RRFJBIMHSA-N 0 3 325.434 0.811 40 0 ECABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1cccc(C)n1)C2 ZINC000096206389 436523915 /nfs/dbraw/zinc/52/39/15/436523915.db2.gz VHIANXGPNFVLTK-QAPCUYQASA-N 0 3 333.432 0.991 40 0 ECABHN CC(=O)N1CCC(N2CCN3[C@H](CN(C(C)=O)CC3(C)C)C2)CC1 ZINC000253407002 436841269 /nfs/dbraw/zinc/84/12/69/436841269.db2.gz VNTKANBZEBRQMQ-KRWDZBQOSA-N 0 3 336.480 0.624 40 0 biogenic,in-vitro ECABHN CN(C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCN(C)CC3)C2)cc1 ZINC000257314648 436871071 /nfs/dbraw/zinc/87/10/71/436871071.db2.gz UXWYVJTZQGDMAZ-QZTJIDSGSA-N 0 3 346.475 0.181 40 0 ECABHN CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288493 438812716 /nfs/dbraw/zinc/81/27/16/438812716.db2.gz GCKIXHFGLURUGY-HRCADAONSA-N 0 3 342.461 0.825 40 0 biogenic,in-vitro ECABHN CCc1ccc(CN2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000253606113 536180258 /nfs/dbraw/zinc/18/02/58/536180258.db2.gz IWSSTIDCLHIMHN-KCPJHIHWSA-N 0 3 328.434 0.838 40 0 ECABHN COC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccccc1 ZINC000054121095 214216750 /nfs/dbraw/zinc/21/67/50/214216750.db2.gz ICYGTKXWRYSLGX-ZIAGYGMSSA-N 0 3 330.388 0.250 40 0 ECABHN Cc1nc2ccccn2c1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257204989 244130204 /nfs/dbraw/zinc/13/02/04/244130204.db2.gz AXDKJTDBPGGZOD-HZPDHXFCSA-N 0 3 328.416 0.853 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2O)CC1 ZINC000257201198 244120381 /nfs/dbraw/zinc/12/03/81/244120381.db2.gz AGSSEAFNMGFMBM-HOTGVXAUSA-N 0 3 347.463 0.111 40 0 ECABHN CNCC(=O)N1CCC[C@@](CCCc2cccnc2)(C(=O)NC)C1 ZINC000257203412 244127786 /nfs/dbraw/zinc/12/77/86/244127786.db2.gz APYDAERBAIYXJR-GOSISDBHSA-N 0 3 332.448 0.979 40 0 ECABHN COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257216648 244170810 /nfs/dbraw/zinc/17/08/10/244170810.db2.gz CVNJXNWRHZOGES-LMSBXDPUSA-N 0 3 334.416 0.794 40 0 ECABHN CN1CCC(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 ZINC000019749833 212062497 /nfs/dbraw/zinc/06/24/97/212062497.db2.gz NKOQXJHUYUIRMV-UHFFFAOYSA-N 0 3 342.403 0.741 40 0 ECABHN CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)CC1 ZINC000096043005 436505360 /nfs/dbraw/zinc/50/53/60/436505360.db2.gz VPTDWWHIDQVMQD-CWRNSKLLSA-N 0 3 345.447 0.671 40 0 ECABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1cnn(C)c1)C2 ZINC000096060859 436509062 /nfs/dbraw/zinc/50/90/62/436509062.db2.gz LWACESJLBRWFBE-HNNXBMFYSA-N 0 3 347.467 0.709 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)C1CC1)C2 ZINC000096067613 436509725 /nfs/dbraw/zinc/50/97/25/436509725.db2.gz FZLJWIKKLLTJLT-ZDUSSCGKSA-N 0 3 339.461 0.349 40 0 ECABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)N1CCOCC1 ZINC000096206551 436523611 /nfs/dbraw/zinc/52/36/11/436523611.db2.gz YGECJUJGIJTSDO-AEFFLSMTSA-N 0 3 331.416 0.779 40 0 ECABHN Cn1ccnc1CN1CCC2(CC1)C(=O)N(C)CCN2CC1CC1 ZINC000096230279 436527450 /nfs/dbraw/zinc/52/74/50/436527450.db2.gz IQFVNFQOLXRIHK-UHFFFAOYSA-N 0 3 331.464 0.939 40 0 ECABHN CC1=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261486 436528720 /nfs/dbraw/zinc/52/87/20/436528720.db2.gz LMJCOLJCDCQREA-RVKKMQEKSA-N 0 3 332.448 0.826 40 0 ECABHN O=C(Cn1cccn1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257284273 436862829 /nfs/dbraw/zinc/86/28/29/436862829.db2.gz PBZWHZCSTVKCMN-LJQANCHMSA-N 0 3 340.427 0.905 40 0 ECABHN C[NH+](C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)c2cn[n-]c2)n1 ZINC000257303823 436865813 /nfs/dbraw/zinc/86/58/13/436865813.db2.gz SIWMXBUXJSGXIM-CYBMUJFWSA-N 0 3 336.421 0.787 40 0 ECABHN CC(=O)N1CCN(C(=O)c2ccc(CN(C)C)cc2)C[C@H](C(N)=O)C1 ZINC000257337340 436874188 /nfs/dbraw/zinc/87/41/88/436874188.db2.gz YSKUVJWBGRSVNT-MRXNPFEDSA-N 0 3 346.431 0.154 40 0 ECABHN CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC000306124391 437164952 /nfs/dbraw/zinc/16/49/52/437164952.db2.gz BOKRNVDHIWDNME-ZACQAIPSSA-N 0 3 332.448 0.558 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1 ZINC000097953306 219064393 /nfs/dbraw/zinc/06/43/93/219064393.db2.gz AIDBGNIQKCXSAI-RBSFLKMASA-N 0 3 342.403 0.543 40 0 ECABHN O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1NCCN1CCOCC1 ZINC000022913526 212332495 /nfs/dbraw/zinc/33/24/95/212332495.db2.gz QKVYQARBKGSYCV-QZTJIDSGSA-N 0 3 337.439 0.683 40 0 ECABHN COc1ccc(CN(C)[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2O)cc1 ZINC000257232223 244215335 /nfs/dbraw/zinc/21/53/35/244215335.db2.gz GJWLJZVDIMMEGQ-IAGOWNOFSA-N 0 3 347.459 0.970 40 0 ECABHN CC(=O)N1CCN(CCCOc2ccccc2F)C[C@@H](C(N)=O)C1 ZINC000257272934 244384355 /nfs/dbraw/zinc/38/43/55/244384355.db2.gz NELFWYMBLHATDS-CQSZACIVSA-N 0 3 337.395 0.860 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]2O)CC1 ZINC000257275296 244392165 /nfs/dbraw/zinc/39/21/65/244392165.db2.gz NOSXBLNASJERTF-HOTGVXAUSA-N 0 3 337.489 0.890 40 0 ECABHN Cc1ccoc1C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)CO2 ZINC000096201358 218673491 /nfs/dbraw/zinc/67/34/91/218673491.db2.gz MLHQISXFVKMRAC-UHFFFAOYSA-N 0 3 349.431 0.983 40 0 ECABHN O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(CC4CC4)C3)N2C1 ZINC000514289850 257845659 /nfs/dbraw/zinc/84/56/59/257845659.db2.gz PGKWQWZEYZQHKJ-ZWKOTPCHSA-N 0 3 328.460 0.797 40 0 biogenic,in-vitro ECABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096263055 273956351 /nfs/dbraw/zinc/95/63/51/273956351.db2.gz AFTGIQNEGVUFMA-CQSZACIVSA-N 0 3 344.419 0.253 40 0 ECABHN Cc1ccc(C)c(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c1 ZINC000013675201 436066308 /nfs/dbraw/zinc/06/63/08/436066308.db2.gz MBDTXMPNSABGSS-UHFFFAOYSA-N 0 3 327.450 0.747 40 0 ECABHN COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096109923 436513648 /nfs/dbraw/zinc/51/36/48/436513648.db2.gz BRSXVUJWUPYBAN-HNNXBMFYSA-N 0 3 336.436 0.696 40 0 ECABHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1Cc1ccc(Cl)cc1)O3 ZINC000096145965 436515185 /nfs/dbraw/zinc/51/51/85/436515185.db2.gz MYGYCBISUTXKFU-RDBSUJKOSA-N 0 3 328.821 0.985 40 0 ECABHN CCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC000096185631 436518570 /nfs/dbraw/zinc/51/85/70/436518570.db2.gz ZRGLWBLOYRDVCC-RDBSUJKOSA-N 0 3 327.454 0.413 40 0 ECABHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(CC1CC1)CC2 ZINC000096197085 436520979 /nfs/dbraw/zinc/52/09/79/436520979.db2.gz NSCBHOHTLDDOJP-UHFFFAOYSA-N 0 3 328.420 0.815 40 0 ECABHN CS(=O)(=O)N[C@@H]1CCN(C[C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200882 436523508 /nfs/dbraw/zinc/52/35/08/436523508.db2.gz FCTULRPCRBGGHG-XHSDSOJGSA-N 0 3 339.461 0.653 40 0 ECABHN O=C(c1cnccn1)N1CCOC2(CCN([C@@H]3CCOC3)CC2)C1 ZINC000107193269 436608770 /nfs/dbraw/zinc/60/87/70/436608770.db2.gz LATFFDXDCGYMFY-CQSZACIVSA-N 0 3 332.404 0.573 40 0 ECABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)CNC(C)=O)C2)cc1 ZINC000257284213 436862362 /nfs/dbraw/zinc/86/23/62/436862362.db2.gz PBTXQRCCDPPNFX-SFHVURJKSA-N 0 3 349.431 0.227 40 0 ECABHN C[N@@H+]1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc([O-])c3)CCC[C@@]21C ZINC000257297647 436865268 /nfs/dbraw/zinc/86/52/68/436865268.db2.gz RIGVLYMQWRIXEK-YJBOKZPZSA-N 0 3 346.431 0.992 40 0 ECABHN C[N@H+]1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc([O-])c3)CCC[C@@]21C ZINC000257297647 436865272 /nfs/dbraw/zinc/86/52/72/436865272.db2.gz RIGVLYMQWRIXEK-YJBOKZPZSA-N 0 3 346.431 0.992 40 0 ECABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)s1 ZINC000306127167 437164252 /nfs/dbraw/zinc/16/42/52/437164252.db2.gz FQHTVEZUQTXDLE-INIZCTEOSA-N 0 3 348.428 0.487 40 0 ECABHN CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289108 438813516 /nfs/dbraw/zinc/81/35/16/438813516.db2.gz OVNGEJMZBRMZKG-MELADBBJSA-N 0 3 348.490 0.887 40 0 biogenic,in-vitro ECABHN O=c1[nH]c2cc3c(cc2cc1CNCCN1CCOCC1)OCO3 ZINC000023247890 212363180 /nfs/dbraw/zinc/36/31/80/212363180.db2.gz FBMUTDLXDCFAIZ-UHFFFAOYSA-N 0 3 331.372 0.679 40 0 ECABHN CNCC(=O)N1CCC[C@@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1 ZINC000257241852 244244357 /nfs/dbraw/zinc/24/43/57/244244357.db2.gz HZXDCCNIFCCNTR-CQSZACIVSA-N 0 3 347.463 0.731 40 0 ECABHN O=C(CN1CCOCC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257264634 244357584 /nfs/dbraw/zinc/35/75/84/244357584.db2.gz LVJMMDPQWBDMQV-OAHLLOKOSA-N 0 3 347.406 0.013 40 0 ECABHN Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@H]2c1cccnc1 ZINC000009265098 211060010 /nfs/dbraw/zinc/06/00/10/211060010.db2.gz YQAJJUMKNYTPCX-OAHLLOKOSA-N 0 3 339.403 0.523 40 0 ECABHN Cc1cccc(CN2CCN3C[C@H](OCC(=O)N(C)C)C[C@H]3C2)n1 ZINC000096183266 218645812 /nfs/dbraw/zinc/64/58/12/218645812.db2.gz HZDNZVHFJYUJMF-DLBZAZTESA-N 0 3 332.448 0.753 40 0 ECABHN CN(C)CCN1CC[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1=O ZINC000096223882 289156010 /nfs/dbraw/zinc/15/60/10/289156010.db2.gz CXGKNYAOLGRHHM-HNNXBMFYSA-N 0 3 329.466 0.355 40 0 ECABHN CCOc1cc(CNCCO)cc(Br)c1OCC(N)=O ZINC000008253726 436023601 /nfs/dbraw/zinc/02/36/01/436023601.db2.gz OBMBBHZNXHWEGQ-UHFFFAOYSA-N 0 3 347.209 0.794 40 0 ECABHN COC(=O)c1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCc2ccccc2)nn1 ZINC000006137880 435996560 /nfs/dbraw/zinc/99/65/60/435996560.db2.gz LDPKPJNVADTJCW-CAOSSQGBSA-N 0 3 344.371 0.562 40 0 biogenic,in-vitro ECABHN CNCc1cc(NC)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000019760778 436107773 /nfs/dbraw/zinc/10/77/73/436107773.db2.gz GZTPRIHPRNWGQZ-LLVKDONJSA-N 0 3 328.442 0.181 40 0 ECABHN Cn1cc(CN2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cn1 ZINC000096052211 436506130 /nfs/dbraw/zinc/50/61/30/436506130.db2.gz QDZPUIQJLMDVEU-MRXNPFEDSA-N 0 3 348.447 0.508 40 0 ECABHN O=C(c1cccnc1)N1C[C@@H]2CN(CCN3CCCC3)C(=O)[C@@H]2C1 ZINC000096245057 436527389 /nfs/dbraw/zinc/52/73/89/436527389.db2.gz OISCCRFDTQAYOH-JKSUJKDBSA-N 0 3 328.416 0.708 40 0 ECABHN COCCN1CCO[C@@H]2CN(C(=O)NCc3cccnc3)CC[C@@H]2C1 ZINC000096249613 436528670 /nfs/dbraw/zinc/52/86/70/436528670.db2.gz ZNOXAYYYIUADPB-IAGOWNOFSA-N 0 3 348.447 0.960 40 0 ECABHN O=C(c1ccc(-n2ccnc2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257315354 436871362 /nfs/dbraw/zinc/87/13/62/436871362.db2.gz VAYPJKXCEAJTIW-HUUCEWRRSA-N 0 3 327.388 0.548 40 0 ECABHN Cc1snnc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC000585108411 439630912 /nfs/dbraw/zinc/63/09/12/439630912.db2.gz FFPBHGFPHCSWJY-VXGBXAGGSA-N 0 3 337.449 0.614 40 0 ECABHN CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000585290484 439642389 /nfs/dbraw/zinc/64/23/89/439642389.db2.gz WUSQNVOIUZDCKP-DBWMJRBXSA-N 0 3 325.453 0.980 40 0 ECABHN CN(CCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1)Cc1cccnc1 ZINC000257246507 536304688 /nfs/dbraw/zinc/30/46/88/536304688.db2.gz IUJRSJUKORUUOF-IAGOWNOFSA-N 0 3 332.448 0.571 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2c(C)nc3ccccn32)C1 ZINC000257224199 536398965 /nfs/dbraw/zinc/39/89/65/536398965.db2.gz FASFJVIRZUQIDG-AWEZNQCLSA-N 0 3 343.431 0.321 40 0 ECABHN COC(=O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1 ZINC000008299778 734890930 /nfs/dbraw/zinc/89/09/30/734890930.db2.gz AVYDXVMUWDREHR-UHTWSYAYSA-N 0 3 333.392 0.054 40 0 biogenic,in-vitro ECABHN CN(C)c1cc(C[C@@H]2CN(C)CCN(c3ncccn3)C2)ncn1 ZINC000072378185 216179874 /nfs/dbraw/zinc/17/98/74/216179874.db2.gz OWIMCJGMZJEMJC-CQSZACIVSA-N 0 3 327.436 0.943 40 0 ECABHN Cc1cc(N(C)C)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257204359 244131207 /nfs/dbraw/zinc/13/12/07/244131207.db2.gz AUDWJJFJHXPKRY-CQSZACIVSA-N 0 3 328.438 0.636 40 0 ECABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@H]1COCCO1)OCCO3 ZINC000019292527 212013531 /nfs/dbraw/zinc/01/35/31/212013531.db2.gz DWMGRRKCELBBRJ-ZDUSSCGKSA-N 0 3 332.356 0.804 40 0 ECABHN O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224262 304353944 /nfs/dbraw/zinc/35/39/44/304353944.db2.gz ZFAHRDOLYBLJPI-APWZRJJASA-N 0 3 349.475 0.960 40 0 ECABHN CN1C[C@@H](C(=O)N2CCOCC2)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019587073 290263114 /nfs/dbraw/zinc/26/31/14/290263114.db2.gz TZWFMQFXJIDXJQ-QFBILLFUSA-N 0 3 343.427 0.522 40 0 ECABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCC(N)=O ZINC000008497868 436028912 /nfs/dbraw/zinc/02/89/12/436028912.db2.gz NWZSEIDBLYABCY-QMMMGPOBSA-N 0 3 347.209 0.792 40 0 ECABHN CC(C)NC(=O)C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O ZINC000008624287 436030949 /nfs/dbraw/zinc/03/09/49/436030949.db2.gz SLXKACSBWGSJOW-HDEZJCGLSA-N 0 3 340.395 0.319 40 0 biogenic,in-vitro ECABHN Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NC(C)C)[C@@H]2O)cc1 ZINC000077264696 436229370 /nfs/dbraw/zinc/22/93/70/436229370.db2.gz RVEKRCSHYLZODM-KFWWJZLASA-N 0 3 328.434 0.400 40 0 biogenic,in-vitro ECABHN CN(C)CCO[C@H]1CN(S(=O)(=O)c2cccs2)[C@@H]2COC[C@H]12 ZINC000096184992 436518783 /nfs/dbraw/zinc/51/87/83/436518783.db2.gz VVLYEIKVXNHJMP-XQQFMLRXSA-N 0 3 346.474 0.714 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2ccncc2)C1 ZINC000096188842 436521837 /nfs/dbraw/zinc/52/18/37/436521837.db2.gz VFLFQZMYSFSILE-INIZCTEOSA-N 0 3 342.447 0.588 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)cn1 ZINC000096205991 436522814 /nfs/dbraw/zinc/52/28/14/436522814.db2.gz NIOJYGIZGSXPHZ-SJLPKXTDSA-N 0 3 341.415 0.580 40 0 ECABHN CN(C)CCN1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1 ZINC000096229389 436527434 /nfs/dbraw/zinc/52/74/34/436527434.db2.gz BZWYQTQMRXXZGH-SFHVURJKSA-N 0 3 348.447 0.187 40 0 ECABHN CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1 ZINC000061031646 436635453 /nfs/dbraw/zinc/63/54/53/436635453.db2.gz PVEJPDCJVCOLPU-UHFFFAOYSA-N 0 3 339.461 0.738 40 0 ECABHN O=C(c1cncnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257248911 436859402 /nfs/dbraw/zinc/85/94/02/436859402.db2.gz JFTYZIHENQUKAF-AWEZNQCLSA-N 0 3 326.347 0.785 40 0 ECABHN C[NH+](C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)c2cn[n-]c2)n1 ZINC000257303824 436865585 /nfs/dbraw/zinc/86/55/85/436865585.db2.gz SIWMXBUXJSGXIM-ZDUSSCGKSA-N 0 3 336.421 0.787 40 0 ECABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccnn1C ZINC000257339531 436873968 /nfs/dbraw/zinc/87/39/68/436873968.db2.gz ZCCRYZXHFMFOFU-SIXLDLHFSA-N 0 3 344.415 0.661 40 0 ECABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(C(F)(F)F)n1 ZINC000329066859 437310658 /nfs/dbraw/zinc/31/06/58/437310658.db2.gz YDJWPKDPKDIYCY-SNVBAGLBSA-N 0 3 333.358 0.904 40 0 ECABHN OCCCN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289006 438813168 /nfs/dbraw/zinc/81/31/68/438813168.db2.gz HZRFZTKBQTXGRH-ZWKOTPCHSA-N 0 3 331.460 0.374 40 0 biogenic,in-vitro ECABHN CN(CCO)C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O ZINC000585285619 439640007 /nfs/dbraw/zinc/64/00/07/439640007.db2.gz LJWKTERWAKYGKK-ZBFHGGJFSA-N 0 3 342.823 0.202 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCn2ncc3ccccc32)C1 ZINC000257248557 536398735 /nfs/dbraw/zinc/39/87/35/536398735.db2.gz JEFDRVZLXJNQTC-HNNXBMFYSA-N 0 3 343.431 0.563 40 0 ECABHN CN(C)CCn1cc2[nH]c([C@H]3CCCN3CC(N)=O)ccc-2c1=O ZINC000072355314 216163791 /nfs/dbraw/zinc/16/37/91/216163791.db2.gz HPWHPMOYRBQRPN-OAHLLOKOSA-N 0 3 331.420 0.221 40 0 ECABHN Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O ZINC000257278261 244396939 /nfs/dbraw/zinc/39/69/39/244396939.db2.gz OBNLFYVJXDVYIS-UMVBOHGHSA-N 0 3 342.465 0.385 40 0 ECABHN CN(C)CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H]2COC[C@H]12 ZINC000096185000 218648538 /nfs/dbraw/zinc/64/85/38/218648538.db2.gz HONBBLYHCXFBPB-VBQJREDUSA-N 0 3 348.399 0.833 40 0 ECABHN CNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CCN(C2CCOCC2)C1 ZINC000257260718 277245116 /nfs/dbraw/zinc/24/51/16/277245116.db2.gz LEAMSFLFTYHWFF-HNNXBMFYSA-N 0 3 337.464 0.862 40 0 ECABHN O=C([C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCOCC1 ZINC000096040718 436504106 /nfs/dbraw/zinc/50/41/06/436504106.db2.gz USJYORVRESQPED-OIISXLGYSA-N 0 3 331.416 0.635 40 0 ECABHN O=C(c1cnccn1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054387 436506535 /nfs/dbraw/zinc/50/65/35/436506535.db2.gz GMTCHPUKZRTDNE-CVEARBPZSA-N 0 3 331.420 0.098 40 0 ECABHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccc[nH]3)CC2)C1=O ZINC000096077139 436510304 /nfs/dbraw/zinc/51/03/04/436510304.db2.gz LBBJFGBQZPFBSH-UHFFFAOYSA-N 0 3 347.463 0.325 40 0 ECABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]21 ZINC000096082190 436510579 /nfs/dbraw/zinc/51/05/79/436510579.db2.gz ZSOCNNLVGHORTI-IRXDYDNUSA-N 0 3 332.448 0.949 40 0 ECABHN Cc1occc1C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)CO2 ZINC000096201357 436523875 /nfs/dbraw/zinc/52/38/75/436523875.db2.gz BLBALCUDGRTCNL-UHFFFAOYSA-N 0 3 349.431 0.983 40 0 ECABHN O=C(c1cnccn1)N1CCOC2(CCN([C@H]3CCOC3)CC2)C1 ZINC000107193266 436608736 /nfs/dbraw/zinc/60/87/36/436608736.db2.gz LATFFDXDCGYMFY-AWEZNQCLSA-N 0 3 332.404 0.573 40 0 ECABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2cccc(OCCO)c2)C1 ZINC000257301831 436866048 /nfs/dbraw/zinc/86/60/48/436866048.db2.gz SACZWFULWZCIJD-INIZCTEOSA-N 0 3 335.448 0.510 40 0 ECABHN Cc1cc(N2CCOC[C@@H](Cc3cccc(C(N)=O)n3)C2)nc(N)n1 ZINC000257299461 436866477 /nfs/dbraw/zinc/86/64/77/436866477.db2.gz RQDDXRXIQOWRFZ-LBPRGKRZSA-N 0 3 342.403 0.557 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000257318821 436869510 /nfs/dbraw/zinc/86/95/10/436869510.db2.gz VPNBSLGIXPGFSE-QGZVFWFLSA-N 0 3 329.444 0.854 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306133919 437168178 /nfs/dbraw/zinc/16/81/78/437168178.db2.gz MZDYBZHJDJCCFF-ZIAGYGMSSA-N 0 3 338.415 0.870 40 0 ECABHN O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514289833 438812232 /nfs/dbraw/zinc/81/22/32/438812232.db2.gz PBTSIJJSBRGSOP-QZTJIDSGSA-N 0 3 328.460 0.939 40 0 biogenic,in-vitro ECABHN OCCCN1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290334 438814112 /nfs/dbraw/zinc/81/41/12/438814112.db2.gz XLYWOOZQUNOQJD-RTBURBONSA-N 0 3 345.487 0.417 40 0 biogenic,in-vitro ECABHN CN(C)c1cc(C[C@@H]2CNCCN(C(=O)c3ccccn3)C2)ncn1 ZINC000072355134 216164261 /nfs/dbraw/zinc/16/42/61/216164261.db2.gz MKKMRYRQPDSAHC-CQSZACIVSA-N 0 3 340.431 0.842 40 0 ECABHN CN(C)CCn1cc2[nH]c([C@@H]3CCCN3CC(N)=O)ccc-2c1=O ZINC000072355313 216164419 /nfs/dbraw/zinc/16/44/19/216164419.db2.gz HPWHPMOYRBQRPN-HNNXBMFYSA-N 0 3 331.420 0.221 40 0 ECABHN CC1(C)O[C@H]2O[C@H](CN3CCN[C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1 ZINC000022115793 212278029 /nfs/dbraw/zinc/27/80/29/212278029.db2.gz BSMLOGYQCJGNEB-DMRKSPOLSA-N 0 3 334.416 0.870 40 0 ECABHN Cc1nccn1CC(=O)N1CCO[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257219939 244180847 /nfs/dbraw/zinc/18/08/47/244180847.db2.gz DIXPTZMYVKURPO-CQSZACIVSA-N 0 3 332.408 0.576 40 0 ECABHN Cc1nccn1CC(=O)N1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257219939 244180853 /nfs/dbraw/zinc/18/08/53/244180853.db2.gz DIXPTZMYVKURPO-CQSZACIVSA-N 0 3 332.408 0.576 40 0 ECABHN COC(=O)[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OC(C)(C)C ZINC000079419998 284392801 /nfs/dbraw/zinc/39/28/01/284392801.db2.gz HWIVCTVMXOBHGQ-NEPJUHHUSA-N 0 3 343.424 0.591 40 0 ECABHN CCOCC(=O)N1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC000096067034 286024300 /nfs/dbraw/zinc/02/43/00/286024300.db2.gz KEIJPACNQWTZLL-HNNXBMFYSA-N 0 3 335.452 0.125 40 0 ECABHN CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)OCO2 ZINC000096183825 436519263 /nfs/dbraw/zinc/51/92/63/436519263.db2.gz ZEWRKGKKRIMDRZ-UONOGXRCSA-N 0 3 345.399 0.792 40 0 ECABHN CNC(=O)CN1CCCC12CCN(C(=O)c1cnc(C)cn1)CC2 ZINC000096075257 436510615 /nfs/dbraw/zinc/51/06/15/436510615.db2.gz LWJBGDWDIZBDBO-UHFFFAOYSA-N 0 3 331.420 0.602 40 0 ECABHN C[C@H]1CN(Cc2nccn2C)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000096201699 436523265 /nfs/dbraw/zinc/52/32/65/436523265.db2.gz STGGCPGWUWJSHV-GUYCJALGSA-N 0 3 333.436 0.179 40 0 ECABHN CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cccnc3)C2)C1=O ZINC000096224179 436524677 /nfs/dbraw/zinc/52/46/77/436524677.db2.gz AAUURRPQNIOPFA-GOSISDBHSA-N 0 3 330.432 0.984 40 0 ECABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096228777 436526265 /nfs/dbraw/zinc/52/62/65/436526265.db2.gz WEGCMHCUOCXHCA-QGZVFWFLSA-N 0 3 336.436 0.621 40 0 ECABHN Cc1nc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)c[nH]1 ZINC000108525593 436619708 /nfs/dbraw/zinc/61/97/08/436619708.db2.gz XIBREDLHIACVHL-CYBMUJFWSA-N 0 3 342.465 0.781 40 0 ECABHN Cc1ncc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)[nH]1 ZINC000108525593 436619710 /nfs/dbraw/zinc/61/97/10/436619710.db2.gz XIBREDLHIACVHL-CYBMUJFWSA-N 0 3 342.465 0.781 40 0 ECABHN Cn1ccnc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257318718 436869838 /nfs/dbraw/zinc/86/98/38/436869838.db2.gz VPBQKMGDKIUFBO-CQSZACIVSA-N 0 3 328.363 0.728 40 0 ECABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cnn(C)c2)CC1 ZINC000306131634 437167047 /nfs/dbraw/zinc/16/70/47/437167047.db2.gz KKSVOMBZGIINNE-UHFFFAOYSA-N 0 3 343.435 0.600 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289726 438812210 /nfs/dbraw/zinc/81/22/10/438812210.db2.gz ZMTQAKMGJAORAM-RWMBFGLXSA-N 0 3 334.463 0.497 40 0 biogenic,in-vitro ECABHN Cn1nccc1C(=O)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000585107398 439629875 /nfs/dbraw/zinc/62/98/75/439629875.db2.gz XSBJSFKQCOESRC-KGLIPLIRSA-N 0 3 331.420 0.046 40 0 ECABHN Cc1cccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)n1 ZINC000585295299 439641035 /nfs/dbraw/zinc/64/10/35/439641035.db2.gz TZONOTMTFWBCBL-ZSYWTGECSA-N 0 3 328.412 0.900 40 0 ECABHN COCCNC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289450 439641665 /nfs/dbraw/zinc/64/16/65/439641665.db2.gz GNXYONWHLBNDPO-WMZOPIPTSA-N 0 3 336.432 0.180 40 0 ECABHN O=C(N1CC2(C1)C[C@H](CO)CN2CC1CC1)C1(F)CCOCC1 ZINC000585093802 439627162 /nfs/dbraw/zinc/62/71/62/439627162.db2.gz GRBJYGJNBYCCNQ-AWEZNQCLSA-N 0 3 326.412 0.810 40 0 ECABHN CC(=O)N1CCC[C@](O)(CN2CC(c3[nH]nc4nccnc43)C2)CC1 ZINC000072367466 216174583 /nfs/dbraw/zinc/17/45/83/216174583.db2.gz RDZALAYKDMHKHN-QGZVFWFLSA-N 0 3 344.419 0.516 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096196645 436520736 /nfs/dbraw/zinc/52/07/36/436520736.db2.gz KTCFEYLOLUAYTR-UHFFFAOYSA-N 0 3 329.448 0.744 40 0 ECABHN CCOc1ccc([C@@H](N)c2nnc(Cn3cncn3)[nH]2)cc1OC ZINC000095534257 436499976 /nfs/dbraw/zinc/49/99/76/436499976.db2.gz UTXQHHLYYLYOOW-CQSZACIVSA-N 0 3 329.364 0.900 40 0 ECABHN O=C(c1ccccn1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054390 436506271 /nfs/dbraw/zinc/50/62/71/436506271.db2.gz ANOVSRQNXVAVCA-SJORKVTESA-N 0 3 330.432 0.703 40 0 ECABHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2CCN1CCCCC1 ZINC000096065775 436508027 /nfs/dbraw/zinc/50/80/27/436508027.db2.gz HPEUDTXJWSLWQC-LZLYRXPVSA-N 0 3 339.480 0.809 40 0 ECABHN CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4ccccn4)C[C@H]3O2)CC1 ZINC000096207666 436523499 /nfs/dbraw/zinc/52/34/99/436523499.db2.gz OLGUBBHKBVECRT-RYQLBKOJSA-N 0 3 344.459 0.835 40 0 ECABHN CN(C)CCN1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 ZINC000096229388 436527265 /nfs/dbraw/zinc/52/72/65/436527265.db2.gz BZWYQTQMRXXZGH-GOSISDBHSA-N 0 3 348.447 0.187 40 0 ECABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cnn(C)c1)CC2 ZINC000096260305 436528980 /nfs/dbraw/zinc/52/89/80/436528980.db2.gz YHKWIOZATMMBPC-UHFFFAOYSA-N 0 3 342.447 0.842 40 0 ECABHN Cc1cn(C)c([C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257296285 436865800 /nfs/dbraw/zinc/86/58/00/436865800.db2.gz RCBKZXNKHKVWMI-CYBMUJFWSA-N 0 3 326.466 0.942 40 0 ECABHN CC(=O)N[C@]12CN(CCO)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257330024 436872801 /nfs/dbraw/zinc/87/28/01/436872801.db2.gz XMLVDKYKQKLBFP-GUDVDZBRSA-N 0 3 345.443 0.779 40 0 ECABHN NC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN(C2CCOCC2)C1 ZINC000585182324 439635240 /nfs/dbraw/zinc/63/52/40/439635240.db2.gz KEWZVSGHORRROX-LBPRGKRZSA-N 0 3 337.445 0.786 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000257272614 536398631 /nfs/dbraw/zinc/39/86/31/536398631.db2.gz NDCBCASILUXYRH-LBPRGKRZSA-N 0 3 337.424 0.262 40 0 ECABHN CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)CO ZINC000242648883 545934794 /nfs/dbraw/zinc/93/47/94/545934794.db2.gz RJIROVUMEBHVLO-TUAOUCFPSA-N 0 3 334.235 0.897 40 0 ECABHN CC1CCN([C@H]2[C@@H](CNC(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465990 212134319 /nfs/dbraw/zinc/13/43/19/212134319.db2.gz QRCCXXXUJBERKO-VSZNYVQBSA-N 0 3 348.443 0.638 40 0 biogenic,in-vitro ECABHN Cc1noc(C)c1-c1cc(CC[C@H]2CN(C(=O)CN)CCO2)ncn1 ZINC000257249296 244265496 /nfs/dbraw/zinc/26/54/96/244265496.db2.gz JHOZLRDUGGJQNT-AWEZNQCLSA-N 0 3 345.403 0.867 40 0 ECABHN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCN1CCCCC1 ZINC000013688951 436066370 /nfs/dbraw/zinc/06/63/70/436066370.db2.gz NJTZQUJQMKMJMK-GASCZTMLSA-N 0 3 333.432 0.930 40 0 ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)c2ccnnc2)C1 ZINC000096188983 436520768 /nfs/dbraw/zinc/52/07/68/436520768.db2.gz JMYJXKDTMHUZEQ-CQSZACIVSA-N 0 3 344.419 0.524 40 0 ECABHN CN(C)C(=O)COC[C@@]12CCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096206218 436522658 /nfs/dbraw/zinc/52/26/58/436522658.db2.gz FKKPPEOYLDWMNC-WBVHZDCISA-N 0 3 336.436 0.506 40 0 ECABHN Cn1cc(CN2CCCn3c(=O)cc(CN4CCCC4)nc3C2)cn1 ZINC000096059573 436507705 /nfs/dbraw/zinc/50/77/05/436507705.db2.gz HVEYHZWVDYXTIO-UHFFFAOYSA-N 0 3 342.447 0.979 40 0 ECABHN CN(C)CCOC[C@H]1CN(Cc2ccccn2)Cc2nnn(C)c21 ZINC000096060672 436508703 /nfs/dbraw/zinc/50/87/03/436508703.db2.gz FVHBCSYVEAMFHK-CQSZACIVSA-N 0 3 330.436 0.888 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)cn1 ZINC000096205801 436523465 /nfs/dbraw/zinc/52/34/65/436523465.db2.gz FLTPCEOWXZTJQX-WBVHZDCISA-N 0 3 334.420 0.117 40 0 ECABHN Cc1cccc(CN2C[C@@H]3CCN(CC(=O)N(C)C)C(=O)[C@H]3C2)n1 ZINC000096249055 436528400 /nfs/dbraw/zinc/52/84/00/436528400.db2.gz HTVDPARLDHUWIB-HOCLYGCPSA-N 0 3 330.432 0.759 40 0 ECABHN N[C@H]1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)C1 ZINC000096530697 436534851 /nfs/dbraw/zinc/53/48/51/436534851.db2.gz GCQRXGZYLFJDBU-ZDUSSCGKSA-N 0 3 328.351 0.616 40 0 ECABHN CNC(=O)CCc1cccc(C2CCN([C@@H]3COC[C@H]3O)CC2)n1 ZINC000257288585 436864241 /nfs/dbraw/zinc/86/42/41/436864241.db2.gz PUVURPXBODRXHM-IAGOWNOFSA-N 0 3 333.432 0.699 40 0 ECABHN CN(C)CCNc1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257308319 436868768 /nfs/dbraw/zinc/86/87/68/436868768.db2.gz TWHSBPFAAISMOA-CYBMUJFWSA-N 0 3 326.466 0.879 40 0 ECABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)c3cccnc3)C2)ncn1 ZINC000257312763 436868993 /nfs/dbraw/zinc/86/89/93/436868993.db2.gz UPKWGBXRRSMCLH-AWEZNQCLSA-N 0 3 340.431 0.842 40 0 ECABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC000257324066 436871737 /nfs/dbraw/zinc/87/17/37/436871737.db2.gz WMZUXPLALXXLBT-ZDUSSCGKSA-N 0 3 329.408 0.849 40 0 ECABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306126570 437165853 /nfs/dbraw/zinc/16/58/53/437165853.db2.gz DZCVFYQEMCLMAB-UONOGXRCSA-N 0 3 338.415 0.870 40 0 ECABHN Cc1cccc(N2CCC(O)(CN3CCO[C@](C)(C(N)=O)C3)CC2)c1 ZINC000585282582 439640589 /nfs/dbraw/zinc/64/05/89/439640589.db2.gz HFUOVULGZFOREG-SFHVURJKSA-N 0 3 347.459 0.903 40 0 ECABHN CN(C)C(=O)COC[C@H]1CN(C)C2(CN(c3ncc(F)cn3)C2)C1 ZINC000585093824 439627667 /nfs/dbraw/zinc/62/76/67/439627667.db2.gz HYZPNFAUYJRDQO-GFCCVEGCSA-N 0 3 337.399 0.231 40 0 ECABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)c3ccncc3)C2)ncn1 ZINC000072355131 216163894 /nfs/dbraw/zinc/16/38/94/216163894.db2.gz UMCCJKOCXSGHCC-AWEZNQCLSA-N 0 3 340.431 0.842 40 0 ECABHN O=C(c1cncc(O)c1)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000257217439 244170602 /nfs/dbraw/zinc/17/06/02/244170602.db2.gz CYYHZEYQUJOHJC-KRWDZBQOSA-N 0 3 335.404 0.477 40 0 ECABHN COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C ZINC000004778064 210276522 /nfs/dbraw/zinc/27/65/22/210276522.db2.gz LIUXYJCYYMVZRA-XQQFMLRXSA-N 0 3 329.441 0.424 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCOC2)C1 ZINC000096188992 276792235 /nfs/dbraw/zinc/79/22/35/276792235.db2.gz VKJIHZGHDXJXAO-LSDHHAIUSA-N 0 3 336.436 0.456 40 0 ECABHN Cc1cnc(N2CCO[C@]3(C2)COCCN(CCN(C)C)C3)nc1 ZINC000096229390 292911462 /nfs/dbraw/zinc/91/14/62/292911462.db2.gz NKUBZQBKXLXUKR-QGZVFWFLSA-N 0 3 335.452 0.254 40 0 ECABHN COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@@H](C)N)C1)O2 ZINC000012122813 295256534 /nfs/dbraw/zinc/25/65/34/295256534.db2.gz ZLPRBAUHNDQSCV-DIFFPNOSSA-N 0 3 333.388 0.526 40 0 ECABHN COCC(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000019079630 436105532 /nfs/dbraw/zinc/10/55/32/436105532.db2.gz GTLLJYZPOCKMOI-HIFRSBDPSA-N 0 3 349.431 0.489 40 0 ECABHN CN(C)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1cn(C)cn1)CC2 ZINC000096158637 436517528 /nfs/dbraw/zinc/51/75/28/436517528.db2.gz OUUNTQXGVKPFGD-LBPRGKRZSA-N 0 3 328.438 0.294 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)C2=CCCC2)Cc2nnn(C)c21 ZINC000096045470 436506605 /nfs/dbraw/zinc/50/66/05/436506605.db2.gz YHCHMUJLDRPCMX-CQSZACIVSA-N 0 3 333.436 0.929 40 0 ECABHN CN(C)CCOC[C@H]1CN(Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060674 436509291 /nfs/dbraw/zinc/50/92/91/436509291.db2.gz FTUMKSYARKXUKP-OAHLLOKOSA-N 0 3 330.436 0.888 40 0 ECABHN Cc1cnc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)cn1 ZINC000096092177 436512161 /nfs/dbraw/zinc/51/21/61/436512161.db2.gz GFJBFCAAXIGSRS-YCPHGPKFSA-N 0 3 341.419 0.612 40 0 ECABHN CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@H]3CCOC3)C2)CC1 ZINC000107209770 436607891 /nfs/dbraw/zinc/60/78/91/436607891.db2.gz GLEVNPSKTIISFW-SJORKVTESA-N 0 3 333.480 0.599 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000242463913 436759884 /nfs/dbraw/zinc/75/98/84/436759884.db2.gz DPYIVCDNAIVXRK-UMVBOHGHSA-N 0 3 341.385 0.434 40 0 ECABHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000248241389 436801164 /nfs/dbraw/zinc/80/11/64/436801164.db2.gz FDMVHHVYOGARCF-JGGQBBKZSA-N 0 3 349.431 0.854 40 0 ECABHN CS(=O)(=O)NC[C@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000306133450 437167806 /nfs/dbraw/zinc/16/78/06/437167806.db2.gz MLVGVEPAWJDNPZ-BPLDGKMQSA-N 0 3 325.434 0.468 40 0 ECABHN CCCCN(C)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccs2)[C@H]1O ZINC000514289573 438812786 /nfs/dbraw/zinc/81/27/86/438812786.db2.gz VMLNYJQOCCVEEG-SGMGOOAPSA-N 0 3 348.490 0.887 40 0 biogenic,in-vitro ECABHN COCC(=O)NC[C@]1(O)CCN(Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC000585261361 439635555 /nfs/dbraw/zinc/63/55/55/439635555.db2.gz GDAACFZARTYXMH-SJLPKXTDSA-N 0 3 347.415 0.228 40 0 ECABHN CC1(C)C[C@]2(CCCN2CC(=O)N2CCOCC2)[C@H](CC(N)=O)O1 ZINC000585292296 439641795 /nfs/dbraw/zinc/64/17/95/439641795.db2.gz ZWQBCTJSHOXAKF-SUMWQHHRSA-N 0 3 339.436 0.123 40 0 ECABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298932 560208544 /nfs/dbraw/zinc/20/85/44/560208544.db2.gz FEULKVYAGBVSJI-XKQJLSEDSA-N 0 3 347.463 0.930 40 0 biogenic,in-vitro ECABHN CCN1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1 ZINC000019818000 202022878 /nfs/dbraw/zinc/02/28/78/202022878.db2.gz FQBNKBBVURYZHV-GJZGRUSLSA-N 0 3 344.415 0.640 40 0 ECABHN O=c1cc([C@@H]2CC[N@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1 ZINC000072394673 203213624 /nfs/dbraw/zinc/21/36/24/203213624.db2.gz MAZGWJDNJYFNPY-CQSZACIVSA-N 0 3 341.415 0.991 40 0 ECABHN O=c1cc([C@@H]2CC[N@@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1 ZINC000072394673 203213627 /nfs/dbraw/zinc/21/36/27/203213627.db2.gz MAZGWJDNJYFNPY-CQSZACIVSA-N 0 3 341.415 0.991 40 0 ECABHN Cc1cccc(CN2C[C@H]3C[C@@H](C(=O)NCCN(C)C)[C@@H](C2)O3)n1 ZINC000107266356 204230753 /nfs/dbraw/zinc/23/07/53/204230753.db2.gz VFCGOONFAZHXQU-BRWVUGGUSA-N 0 3 332.448 0.657 40 0 ECABHN COCCN1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 ZINC000096243701 292524112 /nfs/dbraw/zinc/52/41/12/292524112.db2.gz NFXIXBNFRLXJNM-OAHLLOKOSA-N 0 3 348.447 0.842 40 0 ECABHN Cc1noc(C)c1CN1C[C@H]2C[C@H](C(=O)NCCN(C)C)N(C)[C@H]2C1 ZINC000096182621 436518720 /nfs/dbraw/zinc/51/87/20/436518720.db2.gz MMMXRSDKXNDDHV-OIISXLGYSA-N 0 3 349.479 0.474 40 0 ECABHN O=C(N[C@H]1CN(CC2CCOCC2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186917 436519994 /nfs/dbraw/zinc/51/99/94/436519994.db2.gz HGYZGTLCOQQZDK-GVDBMIGSSA-N 0 3 346.431 0.865 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000096196660 436520778 /nfs/dbraw/zinc/52/07/78/436520778.db2.gz ARPFDQGPBXXGJU-MRXNPFEDSA-N 0 3 333.432 0.516 40 0 ECABHN CCN(CC)[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@H]2COC[C@H]12 ZINC000096092142 436512108 /nfs/dbraw/zinc/51/21/08/436512108.db2.gz XOSRWYIHFZXCFN-JHJVBQTASA-N 0 3 328.438 0.150 40 0 ECABHN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN([C@H]3CCOC3)CC2)O1 ZINC000096243670 436527003 /nfs/dbraw/zinc/52/70/03/436527003.db2.gz QICGVQNMWBMJQI-LSDHHAIUSA-N 0 3 348.447 0.887 40 0 ECABHN CS(=O)(=O)N1CCC(N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000257280523 436862002 /nfs/dbraw/zinc/86/20/02/436862002.db2.gz OLFBMDCCLQSOOK-CQSZACIVSA-N 0 3 332.466 0.416 40 0 ECABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2cccc(OCCO)c2)C1 ZINC000257301832 436865744 /nfs/dbraw/zinc/86/57/44/436865744.db2.gz SACZWFULWZCIJD-MRXNPFEDSA-N 0 3 335.448 0.510 40 0 ECABHN CN(CC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1)C1CCCC1 ZINC000257302100 436866264 /nfs/dbraw/zinc/86/62/64/436866264.db2.gz SBNVHWKUZHYDCG-KRWDZBQOSA-N 0 3 333.436 0.408 40 0 ECABHN NCC(=O)N1CCC[C@](O)(CN2CCN(c3ccccc3)CC2)CC1 ZINC000257309522 436868403 /nfs/dbraw/zinc/86/84/03/436868403.db2.gz UBFPIADAZVNGAL-LJQANCHMSA-N 0 3 346.475 0.511 40 0 ECABHN Cc1noc(C)c1CN1CC[C@@H]2[C@@H](CO[C@@H]2CNS(C)(=O)=O)C1 ZINC000252023400 436831803 /nfs/dbraw/zinc/83/18/03/436831803.db2.gz ZYPRUWRLHZZJFC-UMVBOHGHSA-N 0 3 343.449 0.678 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000257338001 436874957 /nfs/dbraw/zinc/87/49/57/436874957.db2.gz YVKACQMPPNUYRZ-CYBMUJFWSA-N 0 3 328.416 0.928 40 0 ECABHN Cc1nc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)c[nH]1 ZINC000585104895 439629060 /nfs/dbraw/zinc/62/90/60/439629060.db2.gz WGJZFGONSUUICW-CABCVRRESA-N 0 3 348.447 0.796 40 0 ECABHN Cc1nc(C(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)c[nH]1 ZINC000585104896 439629591 /nfs/dbraw/zinc/62/95/91/439629591.db2.gz WGJZFGONSUUICW-GJZGRUSLSA-N 0 3 348.447 0.796 40 0 ECABHN CN1CCN([C@@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1 ZINC000585269907 439636483 /nfs/dbraw/zinc/63/64/83/439636483.db2.gz PRWLMEXVNYDZIG-MOPGFXCFSA-N 0 3 349.475 0.240 40 0 ECABHN Cc1ccccc1C(=O)N1CCC(N(C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585287898 439640280 /nfs/dbraw/zinc/64/02/80/439640280.db2.gz GVNZHGWAQKCHGA-KURKYZTESA-N 0 3 348.443 0.652 40 0 ECABHN Cc1cccc(C(=O)N2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1 ZINC000585288396 439641963 /nfs/dbraw/zinc/64/19/63/439641963.db2.gz ZKYIDVGIFNENTK-KURKYZTESA-N 0 3 348.443 0.652 40 0 ECABHN Cc1cc(CN2CC3(C2)C[C@@H](COCC(=O)N(C)C)CN3C)[nH]n1 ZINC000585093761 439627953 /nfs/dbraw/zinc/62/79/53/439627953.db2.gz CYQRPORRLCTEOT-CQSZACIVSA-N 0 3 335.452 0.329 40 0 ECABHN Cc1cc(CN2CC3(C2)C[C@@H](COCC(=O)N(C)C)CN3C)n[nH]1 ZINC000585093761 439627955 /nfs/dbraw/zinc/62/79/55/439627955.db2.gz CYQRPORRLCTEOT-CQSZACIVSA-N 0 3 335.452 0.329 40 0 ECABHN CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCN3)nc2NC)C1 ZINC000019708620 202017137 /nfs/dbraw/zinc/01/71/37/202017137.db2.gz SAVVPSBEWLWDKA-LLVKDONJSA-N 0 3 325.438 0.651 40 0 ECABHN CC1CCN([C@H]2[C@@H](CNC(=O)c3ccco3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465984 212135234 /nfs/dbraw/zinc/13/52/34/212135234.db2.gz SKCGAZXRIRODIZ-FXUDXRNXSA-N 0 3 338.404 0.231 40 0 biogenic,in-vitro ECABHN CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000257234679 244222977 /nfs/dbraw/zinc/22/29/77/244222977.db2.gz GUQAXBAIKVGTLV-SJORKVTESA-N 0 3 329.444 0.900 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000257256749 244284147 /nfs/dbraw/zinc/28/41/47/244284147.db2.gz KMTBYPRAKBUKQS-CYBMUJFWSA-N 0 3 346.431 0.416 40 0 ECABHN CNC(=O)C1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 ZINC000257268063 244366025 /nfs/dbraw/zinc/36/60/25/244366025.db2.gz MKAXZIWAPAZKJW-UHFFFAOYSA-N 0 3 341.415 0.929 40 0 ECABHN O=C(CO)N1CCC[C@](O)(CN2CCN(c3ccccc3)CC2)CC1 ZINC000257299577 244459089 /nfs/dbraw/zinc/45/90/89/244459089.db2.gz RQQHAFVWNXJEAI-LJQANCHMSA-N 0 3 347.459 0.545 40 0 ECABHN COCCC(=O)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096073999 292271183 /nfs/dbraw/zinc/27/11/83/292271183.db2.gz BFENYVVZPMMPBM-GOSISDBHSA-N 0 3 337.464 0.960 40 0 ECABHN CN(C)C(=O)Cn1cc2c(n1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059734 288973081 /nfs/dbraw/zinc/97/30/81/288973081.db2.gz WMTTYQYFQFTFLI-HNNXBMFYSA-N 0 3 329.404 0.770 40 0 ECABHN CNc1cc(CN(C)S(=O)(=O)N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760716 436107913 /nfs/dbraw/zinc/10/79/13/436107913.db2.gz RVGVCNOQUQJQSN-LLVKDONJSA-N 0 3 328.442 0.181 40 0 ECABHN CN(CCN1CCCCC1)C(=O)c1cnc(N2CCOCC2)nc1 ZINC000019717597 436108283 /nfs/dbraw/zinc/10/82/83/436108283.db2.gz QMAQEACDSWVRCY-UHFFFAOYSA-N 0 3 333.436 0.871 40 0 ECABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1scnc1C)C2 ZINC000096108408 436514000 /nfs/dbraw/zinc/51/40/00/436514000.db2.gz ZWZDSWYRZCZDBA-DOMZBBRYSA-N 0 3 325.434 0.663 40 0 ECABHN CN(C)CCO[C@H]1CN(S(=O)(=O)c2ccccc2)[C@@H]2COC[C@H]12 ZINC000096184994 436520112 /nfs/dbraw/zinc/52/01/12/436520112.db2.gz SYROHTFDEZUEOM-XHSDSOJGSA-N 0 3 340.445 0.653 40 0 ECABHN CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C(C)C)C1 ZINC000096185642 436520159 /nfs/dbraw/zinc/52/01/59/436520159.db2.gz WRAVQLPEEXLONF-ILXRZTDVSA-N 0 3 341.481 0.801 40 0 ECABHN Cn1cc(-c2nnn3c2CO[C@H](CNCc2ccccn2)C3)cn1 ZINC000096199176 436522053 /nfs/dbraw/zinc/52/20/53/436522053.db2.gz DZKAJNCDSODZML-CQSZACIVSA-N 0 3 325.376 0.762 40 0 ECABHN CC(C)NC(=O)N1Cc2nccn2C[C@@H](CN2CCN(C)CC2)C1 ZINC000096067039 436510433 /nfs/dbraw/zinc/51/04/33/436510433.db2.gz LRJXDMPZRBVBQS-OAHLLOKOSA-N 0 3 334.468 0.680 40 0 ECABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1=O ZINC000096073957 436511030 /nfs/dbraw/zinc/51/10/30/436511030.db2.gz HXIGSJMTTVUQMC-QGZVFWFLSA-N 0 3 331.420 0.493 40 0 ECABHN CN(C)[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1O ZINC000257338593 436874868 /nfs/dbraw/zinc/87/48/68/436874868.db2.gz YYCPGTBXEJMDGV-OALUTQOASA-N 0 3 349.475 0.504 40 0 ECABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccn2)n1 ZINC000329026691 437305566 /nfs/dbraw/zinc/30/55/66/437305566.db2.gz POOGPSWEYBREBD-CQSZACIVSA-N 0 3 342.447 0.947 40 0 ECABHN Cc1nc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)c[nH]1 ZINC000585104897 439629353 /nfs/dbraw/zinc/62/93/53/439629353.db2.gz WGJZFGONSUUICW-HUUCEWRRSA-N 0 3 348.447 0.796 40 0 ECABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)N1CCCC1)CC2 ZINC000019711546 202016675 /nfs/dbraw/zinc/01/66/75/202016675.db2.gz NORXZXSSBGVILI-HNNXBMFYSA-N 0 3 344.463 0.923 40 0 ECABHN Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000072360882 203206615 /nfs/dbraw/zinc/20/66/15/203206615.db2.gz XXAPHKOYYHJOLV-LBPRGKRZSA-N 0 3 327.392 0.983 40 0 ECABHN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN([C@@H]3CCOC3)CC2)O1 ZINC000096243668 273539674 /nfs/dbraw/zinc/53/96/74/273539674.db2.gz QICGVQNMWBMJQI-HUUCEWRRSA-N 0 3 348.447 0.887 40 0 ECABHN CC(C)[C@H](N)C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000012366433 280273225 /nfs/dbraw/zinc/27/32/25/280273225.db2.gz RPSDDDUHCQNFCQ-GLJUWKHASA-N 0 3 329.400 0.813 40 0 ECABHN C[C@H](C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2)N1CCOCC1 ZINC000019078810 436105737 /nfs/dbraw/zinc/10/57/37/436105737.db2.gz FRZSXXOOYYVGBR-CZUORRHYSA-N 0 3 345.447 0.507 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2nccs2)C1 ZINC000096188834 436522108 /nfs/dbraw/zinc/52/21/08/436522108.db2.gz WEPOINMIDLPZDH-ZDUSSCGKSA-N 0 3 348.476 0.649 40 0 ECABHN CN1CCC(NC(=O)[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)CC1 ZINC000096042773 436504773 /nfs/dbraw/zinc/50/47/73/436504773.db2.gz VPTDWWHIDQVMQD-NUEKZKHPSA-N 0 3 345.447 0.671 40 0 ECABHN CN(C)CCN1CC2(CCN(Cc3ccccn3)CC2)OCC1=O ZINC000096070203 436510358 /nfs/dbraw/zinc/51/03/58/436510358.db2.gz RRBCKRRDEHYEME-UHFFFAOYSA-N 0 3 332.448 0.837 40 0 ECABHN N[C@@H]1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)C1 ZINC000096530695 436534669 /nfs/dbraw/zinc/53/46/69/436534669.db2.gz RWGVHHCMZDUWJG-CYBMUJFWSA-N 0 3 328.351 0.616 40 0 ECABHN O=C(CN1CCCC1=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257252706 436862214 /nfs/dbraw/zinc/86/22/14/436862214.db2.gz JVUFQZBUFDSSKW-HNNXBMFYSA-N 0 3 345.390 0.303 40 0 ECABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)CO)CC2)cc1 ZINC000257343418 436877702 /nfs/dbraw/zinc/87/77/02/436877702.db2.gz ZSXKBBNNAONXNX-GOSISDBHSA-N 0 3 336.432 0.863 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289725 438813815 /nfs/dbraw/zinc/81/38/15/438813815.db2.gz ZMTQAKMGJAORAM-FRRDWIJNSA-N 0 3 334.463 0.497 40 0 biogenic,in-vitro ECABHN Cc1nccc(C[C@H]2[C@H](NCc3ccccn3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382132 439312715 /nfs/dbraw/zinc/31/27/15/439312715.db2.gz GTNASQSTWXZAIQ-BRSBDYLESA-N 0 3 328.416 0.870 40 0 biogenic,in-vitro ECABHN O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1 ZINC000585290621 439642112 /nfs/dbraw/zinc/64/21/12/439642112.db2.gz RFMFOQNIXPYUNP-MJGOQNOKSA-N 0 3 348.443 0.329 40 0 ECABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(CN)COC ZINC000242548448 545934763 /nfs/dbraw/zinc/93/47/63/545934763.db2.gz LLXSNSPNPDJJQN-ZNMIVQPWSA-N 0 3 327.402 0.907 40 0 ECABHN Cc1ccc(S(=O)(=O)NC2=NCN(CCN(C)C)CN2)cc1 ZINC000030874771 202200464 /nfs/dbraw/zinc/20/04/64/202200464.db2.gz LCZOLIHSKGDESA-UHFFFAOYSA-N 0 3 325.438 0.011 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257232688 244219015 /nfs/dbraw/zinc/21/90/15/244219015.db2.gz GLYQJQMMJOSCOD-CQSZACIVSA-N 0 3 326.400 0.985 40 0 ECABHN CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@@H]3CCOC3)C2)CC1 ZINC000096188537 290046964 /nfs/dbraw/zinc/04/69/64/290046964.db2.gz GLEVNPSKTIISFW-DLBZAZTESA-N 0 3 333.480 0.599 40 0 ECABHN CN(C)CCOC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCOC2)C1 ZINC000096066823 436508217 /nfs/dbraw/zinc/50/82/17/436508217.db2.gz HQCZBGBQIVJGAH-LSDHHAIUSA-N 0 3 336.436 0.456 40 0 ECABHN CCc1cnc(N2C[C@H]3C[C@H](C(=O)NCCN(C)C)[C@@H](C2)O3)nc1 ZINC000096253149 436528685 /nfs/dbraw/zinc/52/86/85/436528685.db2.gz VUVQFWIBEFHUQP-QLFBSQMISA-N 0 3 333.436 0.311 40 0 ECABHN COCCN1CCO[C@@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC000096249606 436529185 /nfs/dbraw/zinc/52/91/85/436529185.db2.gz CJIYUGYTIRRJDR-TZMCWYRMSA-N 0 3 325.434 0.952 40 0 ECABHN COCCN1C(C)=N[C@@]2(CC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)C1=O ZINC000096261523 436529256 /nfs/dbraw/zinc/52/92/56/436529256.db2.gz DNTRPHAJKXTBFS-JKIFEVAISA-N 0 3 336.436 0.062 40 0 ECABHN O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1n[nH]c2ccccc21 ZINC000257289131 436864089 /nfs/dbraw/zinc/86/40/89/436864089.db2.gz PXCDJRKEANLAJL-IIAWOOMASA-N 0 3 330.388 0.517 40 0 ECABHN CNC(=O)[C@H]1CN(Cc2cncs2)CCN(C2CCOCC2)C1 ZINC000257312857 436868389 /nfs/dbraw/zinc/86/83/89/436868389.db2.gz UPVVCEFRVOULJN-ZDUSSCGKSA-N 0 3 338.477 0.802 40 0 ECABHN NC(=O)[C@H]1CN(C(=O)CC2CCCC2)CCN(C2CCOCC2)C1 ZINC000257325357 436872048 /nfs/dbraw/zinc/87/20/48/436872048.db2.gz WSPIVXBYARGDSC-OAHLLOKOSA-N 0 3 337.464 0.991 40 0 ECABHN CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1 ZINC000257338988 436875681 /nfs/dbraw/zinc/87/56/81/436875681.db2.gz YZSOUCXEBYSXOW-UMVBOHGHSA-N 0 3 342.465 0.418 40 0 ECABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)CO)CC2)cc1 ZINC000257343419 436877560 /nfs/dbraw/zinc/87/75/60/436877560.db2.gz ZSXKBBNNAONXNX-SFHVURJKSA-N 0 3 336.432 0.863 40 0 ECABHN COCC(=O)NC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000306124283 437165209 /nfs/dbraw/zinc/16/52/09/437165209.db2.gz BLSINHYHJIBDNX-HNNXBMFYSA-N 0 3 336.436 0.504 40 0 ECABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)C3CCOCC3)[C@H]2O)CC1 ZINC000514288420 438813469 /nfs/dbraw/zinc/81/34/69/438813469.db2.gz DSGPDJKKBBLRAC-HRCADAONSA-N 0 3 326.437 0.389 40 0 biogenic,in-vitro ECABHN CN(C)C(=O)COC[C@@H]1CN(C)C2(CN(c3ncc(F)cn3)C2)C1 ZINC000585093825 439628415 /nfs/dbraw/zinc/62/84/15/439628415.db2.gz HYZPNFAUYJRDQO-LBPRGKRZSA-N 0 3 337.399 0.231 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000585182332 439635318 /nfs/dbraw/zinc/63/53/18/439635318.db2.gz NUNZOMQNFAZJFG-MRXNPFEDSA-N 0 3 332.448 0.498 40 0 ECABHN CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N(C)C1CCN(C)CC1 ZINC000585280742 439640116 /nfs/dbraw/zinc/64/01/16/439640116.db2.gz OHMBXJZDYHCKDY-GDBMZVCRSA-N 0 3 325.453 0.813 40 0 ECABHN COCCOc1cccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C(C)C)c1 ZINC000585295398 439641479 /nfs/dbraw/zinc/64/14/79/439641479.db2.gz YBLMRGLJROLHFF-XDNAFOTISA-N 0 3 339.432 0.635 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)c2cccnc2)Cc2nnn(C)c21 ZINC000096060680 282109224 /nfs/dbraw/zinc/10/92/24/282109224.db2.gz ADBZNVALSBNNTK-CQSZACIVSA-N 0 3 344.419 0.528 40 0 ECABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)COC)CC2 ZINC000019711079 202016723 /nfs/dbraw/zinc/01/67/23/202016723.db2.gz MIMDJZCLNNVBSV-UHFFFAOYSA-N 0 3 333.436 0.859 40 0 ECABHN O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000257200713 244117357 /nfs/dbraw/zinc/11/73/57/244117357.db2.gz AEPAFOFNRQYYDD-BFYDXBDKSA-N 0 3 348.447 0.633 40 0 ECABHN O=C(c1ccnc(N2CCCC2)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257218046 244172843 /nfs/dbraw/zinc/17/28/43/244172843.db2.gz DBQHXCANKSFRAU-HZPDHXFCSA-N 0 3 330.432 0.963 40 0 ECABHN COCCC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391658 203213457 /nfs/dbraw/zinc/21/34/57/203213457.db2.gz NCQTUAVAZCAUEI-LBPRGKRZSA-N 0 3 332.408 0.398 40 0 ECABHN CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN(C)C)c1 ZINC000257254938 244280005 /nfs/dbraw/zinc/28/00/05/244280005.db2.gz KFJJBJTWOCDRAE-UHFFFAOYSA-N 0 3 329.404 0.800 40 0 ECABHN COCCNC(=O)[C@H]1CN(Cc2ccc3c(c2)CCO3)[C@@H]2CCO[C@@H]21 ZINC000108527329 204266268 /nfs/dbraw/zinc/26/62/68/204266268.db2.gz BRSIDMVAEUCJOR-LZLYRXPVSA-N 0 3 346.427 0.973 40 0 ECABHN CN(C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccccn2)n1 ZINC000329026689 257904365 /nfs/dbraw/zinc/90/43/65/257904365.db2.gz POOGPSWEYBREBD-AWEZNQCLSA-N 0 3 342.447 0.947 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218070345 285955196 /nfs/dbraw/zinc/95/51/96/285955196.db2.gz PFDNRDUVVJRKFR-VNHYZAJKSA-N 0 3 327.402 0.714 40 0 ECABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccnc1OC)CC[C@H]2OC ZINC000096218679 436524558 /nfs/dbraw/zinc/52/45/58/436524558.db2.gz FSAXPLLSTFAXLU-ARFHVFGLSA-N 0 3 349.431 0.898 40 0 ECABHN CS(=O)(=O)N[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224815 436525388 /nfs/dbraw/zinc/52/53/88/436525388.db2.gz IQZSDKDOHJIXQO-AWEZNQCLSA-N 0 3 325.434 0.754 40 0 ECABHN CN(C)CCN1C(=O)CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]21 ZINC000096246290 436527664 /nfs/dbraw/zinc/52/76/64/436527664.db2.gz OIPKGFLOVOAOBQ-HZPDHXFCSA-N 0 3 347.415 0.065 40 0 ECABHN CS(=O)(=O)NCc1noc2c1CN(CCN1CCCC1)CC2 ZINC000096259750 436528621 /nfs/dbraw/zinc/52/86/21/436528621.db2.gz GAVDPSGFNLBRJM-UHFFFAOYSA-N 0 3 328.438 0.178 40 0 ECABHN CN(C)CCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225403729 436710485 /nfs/dbraw/zinc/71/04/85/436710485.db2.gz BIOUJUJTVSZNOZ-UHFFFAOYSA-N 0 3 330.479 0.930 40 0 ECABHN O[C@@H]1[C@@H](Cn2cc(C3CC3)nn2)C[C@@H](NCc2cccnc2)[C@@H]1O ZINC000225500597 436711177 /nfs/dbraw/zinc/71/11/77/436711177.db2.gz ODYFAAQDLPHPQH-SRABZTEZSA-N 0 3 329.404 0.451 40 0 biogenic,in-vitro ECABHN CN(C)CCN1CC2(CCN(Cc3cnn(C)c3)CC2)OCC1=O ZINC000247978760 436797564 /nfs/dbraw/zinc/79/75/64/436797564.db2.gz JACGGMMKKZGEPZ-UHFFFAOYSA-N 0 3 335.452 0.175 40 0 ECABHN CN1CCN(C(=O)CCN2CCc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257283999 436860955 /nfs/dbraw/zinc/86/09/55/436860955.db2.gz PAUWPDPEKITQHE-OAHLLOKOSA-N 0 3 330.432 0.315 40 0 ECABHN CC(=O)N1CCC([N@@H+]2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)CC1 ZINC000257310403 436867570 /nfs/dbraw/zinc/86/75/70/436867570.db2.gz UEYHKSMWQZAOOE-AWEZNQCLSA-N 0 3 334.420 0.684 40 0 ECABHN CC(=O)N1CCC([N@H+]2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)CC1 ZINC000257310403 436867574 /nfs/dbraw/zinc/86/75/74/436867574.db2.gz UEYHKSMWQZAOOE-AWEZNQCLSA-N 0 3 334.420 0.684 40 0 ECABHN COc1cccc(S(=O)(=O)N2CC[C@@](O)(CN3CCCC3)C2)c1 ZINC000257306544 436868323 /nfs/dbraw/zinc/86/83/23/436868323.db2.gz SURUDXNCSOIGEP-MRXNPFEDSA-N 0 3 340.445 0.917 40 0 ECABHN NCc1cn(-c2ccccc2C(=O)NCCCN2CCOCC2)cn1 ZINC000257332953 436873588 /nfs/dbraw/zinc/87/35/88/436873588.db2.gz XZLGMDMJDWSDAT-UHFFFAOYSA-N 0 3 343.431 0.783 40 0 ECABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)Cc1ccn(C)n1)CCC2 ZINC000585108200 439631129 /nfs/dbraw/zinc/63/11/29/439631129.db2.gz RQZTVPXMXBUOMC-KDOFPFPSSA-N 0 3 348.447 0.696 40 0 ECABHN Cc1cncc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1 ZINC000585291573 439641321 /nfs/dbraw/zinc/64/13/21/439641321.db2.gz QIJIIMUCHBLDAX-KURKYZTESA-N 0 3 335.448 0.407 40 0 ECABHN COc1ccccc1C(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257239984 244241733 /nfs/dbraw/zinc/24/17/33/244241733.db2.gz HRQGXDIEKBSMEP-IRXDYDNUSA-N 0 3 347.459 0.908 40 0 ECABHN OCC(CO)N1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072363671 203206489 /nfs/dbraw/zinc/20/64/89/203206489.db2.gz OWHQRNOPBBGNOW-LBPRGKRZSA-N 0 3 330.392 0.543 40 0 ECABHN O=C(Cn1cccn1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257250959 244268410 /nfs/dbraw/zinc/26/84/10/244268410.db2.gz JOTUBDQKDOVJLU-CQSZACIVSA-N 0 3 328.363 0.578 40 0 ECABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514288982 257847033 /nfs/dbraw/zinc/84/70/33/257847033.db2.gz MILUNPATMACARC-ORIJERBGSA-N 0 3 328.453 0.778 40 0 biogenic,in-vitro ECABHN CN(C)CCOCc1nnn2c1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096256051 289170780 /nfs/dbraw/zinc/17/07/80/289170780.db2.gz XPKTWDKTSIXQSF-UHFFFAOYSA-N 0 3 343.453 0.054 40 0 ECABHN Cc1cnc(C(=O)N2CCCn3c(=O)cc(CN(C)C)nc3C2)cn1 ZINC000096197540 292873292 /nfs/dbraw/zinc/87/32/92/292873292.db2.gz KGYZUMACBBMBEZ-UHFFFAOYSA-N 0 3 342.403 0.449 40 0 ECABHN CCN(C(=O)c1cnc(N2CCOCC2)nc1)C1CCN(C)CC1 ZINC000019657114 436108172 /nfs/dbraw/zinc/10/81/72/436108172.db2.gz REEMASOPGHYDRP-UHFFFAOYSA-N 0 3 333.436 0.870 40 0 ECABHN CNC(=O)C1(N2CCC[C@H]2C(=O)N2CCN(C)CC2)CCCCC1 ZINC000096113088 436514152 /nfs/dbraw/zinc/51/41/52/436514152.db2.gz GICXOZXOAPDORT-HNNXBMFYSA-N 0 3 336.480 0.674 40 0 biogenic,in-vitro ECABHN Cc1cnc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)cn1 ZINC000096200909 436522668 /nfs/dbraw/zinc/52/26/68/436522668.db2.gz UMBBGXIKMDWDJH-CVEARBPZSA-N 0 3 328.420 0.906 40 0 ECABHN CN(C)CCOC[C@@H]1CN(Cc2cccnc2)Cc2nnn(C)c21 ZINC000096060675 436508148 /nfs/dbraw/zinc/50/81/48/436508148.db2.gz FTUMKSYARKXUKP-HNNXBMFYSA-N 0 3 330.436 0.888 40 0 ECABHN CN(C)C(=O)N1CCc2c(nnn2C)[C@H]1COCCN1CCCC1 ZINC000096068744 436509928 /nfs/dbraw/zinc/50/99/28/436509928.db2.gz YEMVKPTYYBLYJS-CQSZACIVSA-N 0 3 336.440 0.508 40 0 ECABHN CCN1CCO[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CC[C@@H]2C1 ZINC000096249568 436528088 /nfs/dbraw/zinc/52/80/88/436528088.db2.gz XSZQLGIJAXLDMO-CHWSQXEVSA-N 0 3 328.438 0.151 40 0 ECABHN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1 ZINC000306142539 437168344 /nfs/dbraw/zinc/16/83/44/437168344.db2.gz XCMFELGREQPSKP-ZDUSSCGKSA-N 0 3 327.454 0.217 40 0 ECABHN Cc1noc(C)c1CN1C[C@@]2(CCCN(CC(=O)N(C)C)C2)C1=O ZINC000585099321 439629102 /nfs/dbraw/zinc/62/91/02/439629102.db2.gz DKWLBZZEYLIJBV-KRWDZBQOSA-N 0 3 334.420 0.804 40 0 ECABHN COC[C@]1(CC(N)=O)CN(C(=O)c2ccc(CN(C)C)cc2)CCO1 ZINC000585276721 439637762 /nfs/dbraw/zinc/63/77/62/439637762.db2.gz DAZZJVBNSNYJKM-SFHVURJKSA-N 0 3 349.431 0.481 40 0 ECABHN Cc1cc(C(=O)N2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)ccn1 ZINC000585287919 439640098 /nfs/dbraw/zinc/64/00/98/439640098.db2.gz HYCBJNQHNGVISS-ZACQAIPSSA-N 0 3 349.431 0.047 40 0 ECABHN C[C@H](C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2)N1CCOCC1 ZINC000019078817 201998870 /nfs/dbraw/zinc/99/88/70/201998870.db2.gz FRZSXXOOYYVGBR-CJNGLKHVSA-N 0 3 345.447 0.507 40 0 ECABHN CC1CCN(C(=O)CN2CCc3nnc([C@@H]4CCCN4)n3CC2)CC1 ZINC000019706304 202017357 /nfs/dbraw/zinc/01/73/57/202017357.db2.gz IZIYXFATRPBOKW-HNNXBMFYSA-N 0 3 346.479 0.819 40 0 ECABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1 ZINC000257216611 244170153 /nfs/dbraw/zinc/17/01/53/244170153.db2.gz CVIWPHAOKHWHPZ-SFHVURJKSA-N 0 3 343.431 0.914 40 0 ECABHN CN1CCN(C(=O)CCn2ncc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257226073 244200665 /nfs/dbraw/zinc/20/06/65/244200665.db2.gz FJADJRKSDOJJRS-CQSZACIVSA-N 0 3 329.404 0.302 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O ZINC000252516004 257660053 /nfs/dbraw/zinc/66/00/53/257660053.db2.gz PFDNRDUVVJRKFR-GZBFAFLISA-N 0 3 327.402 0.714 40 0 ECABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000298124027 265224863 /nfs/dbraw/zinc/22/48/63/265224863.db2.gz AMPNOTXKNRIWOF-OAHLLOKOSA-N 0 3 333.432 0.954 40 0 ECABHN O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@H](CCO)CC1 ZINC000333321686 297124114 /nfs/dbraw/zinc/12/41/14/297124114.db2.gz UQBUPSHQSWWBAO-AWEZNQCLSA-N 0 3 348.451 0.903 40 0 ECABHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000004373354 435980232 /nfs/dbraw/zinc/98/02/32/435980232.db2.gz FDMVHHVYOGARCF-NOLJZWGESA-N 0 3 349.431 0.854 40 0 ECABHN Cc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013673830 436066257 /nfs/dbraw/zinc/06/62/57/436066257.db2.gz QWYSBQLRVPFLIN-ZDUSSCGKSA-N 0 3 327.450 0.827 40 0 ECABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049491 436506142 /nfs/dbraw/zinc/50/61/42/436506142.db2.gz JZOGFVSGROLXFR-SFHVURJKSA-N 0 3 332.448 0.742 40 0 ECABHN CN(C)CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2nnn(C)c21 ZINC000096060661 436507648 /nfs/dbraw/zinc/50/76/48/436507648.db2.gz TZJAQIBGFFZALY-CQSZACIVSA-N 0 3 333.440 0.226 40 0 ECABHN Cc1cnc(C(=O)N2CCC3(CCN(CCN(C)C)C3=O)CC2)cn1 ZINC000096062933 436507697 /nfs/dbraw/zinc/50/76/97/436507697.db2.gz FUEZROAAVQJGOZ-UHFFFAOYSA-N 0 3 345.447 0.801 40 0 ECABHN CCS(=O)(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096057942 436508530 /nfs/dbraw/zinc/50/85/30/436508530.db2.gz CEKWRWVPVVXIOR-RRFJBIMHSA-N 0 3 332.466 0.680 40 0 ECABHN Cn1cc(CN2CCc3ncnc(N4CCOCC4)c3CC2)cn1 ZINC000096255705 436527725 /nfs/dbraw/zinc/52/77/25/436527725.db2.gz AMRQAOSLKCYTKE-UHFFFAOYSA-N 0 3 328.420 0.648 40 0 ECABHN Cn1ccnc1CN1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC000096255672 436528745 /nfs/dbraw/zinc/52/87/45/436528745.db2.gz ODRAFVVBFYIVBD-UHFFFAOYSA-N 0 3 341.463 0.563 40 0 ECABHN CN(C)c1cc(C[C@H]2CN(C)CCN(c3cnccn3)C2)ncn1 ZINC000257254385 436862503 /nfs/dbraw/zinc/86/25/03/436862503.db2.gz KCVCIAZLYPLPBR-AWEZNQCLSA-N 0 3 327.436 0.943 40 0 ECABHN CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H](C(N)=O)C1 ZINC000257298348 436865613 /nfs/dbraw/zinc/86/56/13/436865613.db2.gz RLHXEVGAUJYMBM-GFCCVEGCSA-N 0 3 329.404 0.371 40 0 ECABHN CNc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1 ZINC000328985303 437299493 /nfs/dbraw/zinc/29/94/93/437299493.db2.gz HSNJCPZWQNYPGQ-UHFFFAOYSA-N 0 3 326.448 0.688 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H]1O ZINC000514288603 438813120 /nfs/dbraw/zinc/81/31/20/438813120.db2.gz JBCQZPPDCQFIMK-SOUVJXGZSA-N 0 3 346.424 0.574 40 0 biogenic,in-vitro ECABHN CN1CCN([C@@H]2CN(Cc3ccc(OCCF)cc3)C[C@@H]2O)CC1 ZINC000585270310 439636439 /nfs/dbraw/zinc/63/64/39/439636439.db2.gz UMVDLLIIHNDADV-MSOLQXFVSA-N 0 3 337.439 0.827 40 0 ECABHN CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/CN(C)C)C1 ZINC000585290485 439640982 /nfs/dbraw/zinc/64/09/82/439640982.db2.gz WUSQNVOIUZDCKP-JKNJVXJCSA-N 0 3 325.453 0.980 40 0 ECABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1 ZINC000008298516 578130448 /nfs/dbraw/zinc/13/04/48/578130448.db2.gz SAXPRUSRNFUQEA-YUTCNCBUSA-N 0 3 333.436 0.495 40 0 biogenic,in-vitro ECABHN CN(C)CCNc1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1 ZINC000072365004 203205778 /nfs/dbraw/zinc/20/57/78/203205778.db2.gz SRSQAOSFTGBVHN-GFCCVEGCSA-N 0 3 327.454 0.589 40 0 ECABHN O=c1cc([C@H]2CC[N@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1 ZINC000072394672 203213440 /nfs/dbraw/zinc/21/34/40/203213440.db2.gz MAZGWJDNJYFNPY-AWEZNQCLSA-N 0 3 341.415 0.991 40 0 ECABHN O=c1cc([C@H]2CC[N@@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[n-]1 ZINC000072394672 203213442 /nfs/dbraw/zinc/21/34/42/203213442.db2.gz MAZGWJDNJYFNPY-AWEZNQCLSA-N 0 3 341.415 0.991 40 0 ECABHN COc1cccc(CCN2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000107185246 204226658 /nfs/dbraw/zinc/22/66/58/204226658.db2.gz QFYRCZCUGQFUSU-PMPSAXMXSA-N 0 3 338.429 0.383 40 0 ECABHN Cc1nc(CN2C[C@H]3C[C@@H](C(=O)NCCN(C)C)[C@@H](C2)O3)cs1 ZINC000107266347 204229537 /nfs/dbraw/zinc/22/95/37/204229537.db2.gz NSZZCINNMKTWQC-RBSFLKMASA-N 0 3 338.477 0.719 40 0 ECABHN O=S1(=O)CC[C@H](NCCCCCO[C@H]2CCS(=O)(=O)C2)C1 ZINC000040177510 257691762 /nfs/dbraw/zinc/69/17/62/257691762.db2.gz DWSCIUVDGYPMSM-STQMWFEESA-N 0 3 339.479 0.137 40 0 ECABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096036754 273956145 /nfs/dbraw/zinc/95/61/45/273956145.db2.gz OKADOMNJNCJEOS-OAHLLOKOSA-N 0 3 341.415 0.914 40 0 ECABHN CN1CCN(Cc2cccnc2)C(=O)C12CCN([C@H]1CCOC1)CC2 ZINC000096230136 277109546 /nfs/dbraw/zinc/10/95/46/277109546.db2.gz IOHBUCPDHJUXGN-KRWDZBQOSA-N 0 3 344.459 0.979 40 0 ECABHN CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC)CC3)C2=O)C1 ZINC000019699886 436107682 /nfs/dbraw/zinc/10/76/82/436107682.db2.gz ZWMUNFBHOQMASB-CYBMUJFWSA-N 0 3 336.436 0.794 40 0 ECABHN CS(=O)(=O)CC(=O)N1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC000096108002 436514208 /nfs/dbraw/zinc/51/42/08/436514208.db2.gz KVZXBPXWRMNHAF-LSDHHAIUSA-N 0 3 344.477 0.380 40 0 ECABHN Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cnn(C)c2)cn1 ZINC000096061723 436507902 /nfs/dbraw/zinc/50/79/02/436507902.db2.gz JKOLPRKRLOUZMN-MSOLQXFVSA-N 0 3 344.463 0.671 40 0 ECABHN O=C(c1ccncn1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096065792 436508293 /nfs/dbraw/zinc/50/82/93/436508293.db2.gz UYOYDDJXIMGSKP-GVDBMIGSSA-N 0 3 346.431 0.961 40 0 ECABHN O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(C3CCOCC3)C2)C1 ZINC000096062343 436508314 /nfs/dbraw/zinc/50/83/14/436508314.db2.gz XOAIJWQAAVZNDT-MRXNPFEDSA-N 0 3 344.477 0.682 40 0 ECABHN CN(C)CCOC[C@@H]1CN(CC2CCOCC2)Cc2nnn(C)c21 ZINC000096060687 436508594 /nfs/dbraw/zinc/50/85/94/436508594.db2.gz HBDUOGIMBGMCJF-HNNXBMFYSA-N 0 3 337.468 0.719 40 0 ECABHN Cc1cnc(N2CCc3onc(C(=O)NCCN(C)C)c3C2)nc1 ZINC000096254350 436528335 /nfs/dbraw/zinc/52/83/35/436528335.db2.gz XIQNHXKANKAASZ-UHFFFAOYSA-N 0 3 330.392 0.627 40 0 ECABHN C[C@@]1(C(=O)N2CCOCC2)CN(CC2(O)CCCCC2)CCO1 ZINC000257339330 436874429 /nfs/dbraw/zinc/87/44/29/436874429.db2.gz ZBGPJYZOHHZOIE-INIZCTEOSA-N 0 3 326.437 0.631 40 0 ECABHN Cc1cc(C)n2nc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)cc2n1 ZINC000257289910 436863940 /nfs/dbraw/zinc/86/39/40/436863940.db2.gz QASUBTXUGVDMRL-HUUCEWRRSA-N 0 3 329.404 0.627 40 0 ECABHN O=C(NC[C@]1(O)CCN(CC2CCC2)C[C@H]1O)c1cscn1 ZINC000257308245 436867769 /nfs/dbraw/zinc/86/77/69/436867769.db2.gz TVZNJXNXCWFKMG-UKRRQHHQSA-N 0 3 325.434 0.471 40 0 ECABHN CNCC(=O)N1CCC[C@](CCCc2cnccn2)(C(=O)N(C)C)C1 ZINC000257322677 436869626 /nfs/dbraw/zinc/86/96/26/436869626.db2.gz WGYLKNUOYWFVSV-SFHVURJKSA-N 0 3 347.463 0.716 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H]1O ZINC000514288601 438812932 /nfs/dbraw/zinc/81/29/32/438812932.db2.gz JBCQZPPDCQFIMK-QLFBSQMISA-N 0 3 346.424 0.574 40 0 biogenic,in-vitro ECABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccnc2)C1 ZINC000585283664 439640082 /nfs/dbraw/zinc/64/00/82/439640082.db2.gz GOGPJSRFGSKDDB-PKOBYXMFSA-N 0 3 341.411 0.809 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257232687 536398558 /nfs/dbraw/zinc/39/85/58/536398558.db2.gz GLYQJQMMJOSCOD-AWEZNQCLSA-N 0 3 326.400 0.985 40 0 ECABHN C[C@H](C(=O)NCCN(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224745281 564043653 /nfs/dbraw/zinc/04/36/53/564043653.db2.gz COQDFJWKISYYRX-SNVBAGLBSA-N 0 3 349.403 0.797 40 0 ECABHN CN(C)CCOC[C@H]1CN(C(=O)c2ccccn2)Cc2nnn(C)c21 ZINC000096045454 282109206 /nfs/dbraw/zinc/10/92/06/282109206.db2.gz VQEUIUJACMTSON-CYBMUJFWSA-N 0 3 344.419 0.528 40 0 ECABHN CNCC(=O)N1CCC(c2cc(CCC(=O)N(C)C)nc(C)n2)CC1 ZINC000072367004 216173021 /nfs/dbraw/zinc/17/30/21/216173021.db2.gz LIGODPFEUKWISN-UHFFFAOYSA-N 0 3 347.463 0.731 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218131207 241300016 /nfs/dbraw/zinc/30/00/16/241300016.db2.gz DPYIVCDNAIVXRK-VNHYZAJKSA-N 0 3 341.385 0.434 40 0 ECABHN CC(C)(N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012144261 211305315 /nfs/dbraw/zinc/30/53/15/211305315.db2.gz COKJYEXEOZPEFF-UHFFFAOYSA-N 0 3 343.431 0.835 40 0 ECABHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCCN(C)CC3)C2=O)cc1 ZINC000100619748 277077328 /nfs/dbraw/zinc/07/73/28/277077328.db2.gz AVEGWBUGBHQHEH-INIZCTEOSA-N 0 3 344.415 0.914 40 0 ECABHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000005767480 435991930 /nfs/dbraw/zinc/99/19/30/435991930.db2.gz SXWOYINHNFSCIE-NSHDSACASA-N 0 3 339.417 0.263 40 0 ECABHN O=S(=O)(c1cncc(Cl)c1N1CCNCC1)N1CCOCC1 ZINC000072210774 436036704 /nfs/dbraw/zinc/03/67/04/436036704.db2.gz WRBJRGCSQOENNY-UHFFFAOYSA-N 0 3 346.840 0.166 40 0 ECABHN CCn1ccc(C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)n1 ZINC000019745449 436109037 /nfs/dbraw/zinc/10/90/37/436109037.db2.gz ODDJMTWYSCLAKP-OAHLLOKOSA-N 0 3 347.463 0.967 40 0 ECABHN CC(=O)N1CCC2(CC1)[C@@H]1CN(Cc3cccnc3)C[C@@H]1C(=O)N2C ZINC000096143579 436515910 /nfs/dbraw/zinc/51/59/10/436515910.db2.gz KSTBBGGQWOTMCC-DLBZAZTESA-N 0 3 342.443 0.983 40 0 ECABHN COCCN1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21 ZINC000096186721 436519300 /nfs/dbraw/zinc/51/93/00/436519300.db2.gz AAANHZDVWLOOQL-PMPSAXMXSA-N 0 3 326.437 0.894 40 0 ECABHN CCOCC(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041630 436504997 /nfs/dbraw/zinc/50/49/97/436504997.db2.gz NSOZXMKLIPMVTL-ZMSDIMECSA-N 0 3 326.437 0.894 40 0 ECABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000096057197 436507122 /nfs/dbraw/zinc/50/71/22/436507122.db2.gz CRGARWKHRLJYRS-ZACQAIPSSA-N 0 3 333.432 0.929 40 0 ECABHN COCCN1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000096228774 436527221 /nfs/dbraw/zinc/52/72/21/436527221.db2.gz FNSZMJHDGAXWSA-DOTOQJQBSA-N 0 3 326.437 0.753 40 0 ECABHN O=c1n(Cc2ccc(F)cc2)nc2c(N3CCNCC3)nccn12 ZINC000096530670 436534961 /nfs/dbraw/zinc/53/49/61/436534961.db2.gz FMKRCNZSHUXSNW-UHFFFAOYSA-N 0 3 328.351 0.488 40 0 ECABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O ZINC000242463911 436758859 /nfs/dbraw/zinc/75/88/59/436758859.db2.gz DPYIVCDNAIVXRK-GZBFAFLISA-N 0 3 341.385 0.434 40 0 ECABHN COCCN1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247825359 436796719 /nfs/dbraw/zinc/79/67/19/436796719.db2.gz FNSZMJHDGAXWSA-WBVHZDCISA-N 0 3 326.437 0.753 40 0 ECABHN CNCC(=O)N1CCC(c2cc(CCC(=O)NC)nc(C)n2)CC1 ZINC000257304294 436867094 /nfs/dbraw/zinc/86/70/94/436867094.db2.gz SKXPLVPQIIZXBZ-UHFFFAOYSA-N 0 3 333.436 0.389 40 0 ECABHN CNC(=O)[C@@H]1CN(Cc2cncs2)CCN(C2CCOCC2)C1 ZINC000257312856 436868447 /nfs/dbraw/zinc/86/84/47/436868447.db2.gz UPVVCEFRVOULJN-CYBMUJFWSA-N 0 3 338.477 0.802 40 0 ECABHN CC(=O)N1CCC(O)(CN2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257319759 436870976 /nfs/dbraw/zinc/87/09/76/436870976.db2.gz VTYPOHXWEBJCPF-MRXNPFEDSA-N 0 3 348.447 0.341 40 0 ECABHN O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@H]1CN1CCCC1 ZINC000585097253 439628941 /nfs/dbraw/zinc/62/89/41/439628941.db2.gz JEUCJVGKTMGXIZ-INIZCTEOSA-N 0 3 347.463 0.412 40 0 ECABHN O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 ZINC000585097255 439629891 /nfs/dbraw/zinc/62/98/91/439629891.db2.gz JEUCJVGKTMGXIZ-MRXNPFEDSA-N 0 3 347.463 0.412 40 0 ECABHN Cc1cc(CN2CCC(CN(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)no1 ZINC000585292117 439642016 /nfs/dbraw/zinc/64/20/16/439642016.db2.gz XXQPTJBIEXPHCY-ZACQAIPSSA-N 0 3 339.436 0.247 40 0 ECABHN CN(C)CCN1CCOCC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000096239852 282101288 /nfs/dbraw/zinc/10/12/88/282101288.db2.gz PNOLVYQXWBICQA-MRXNPFEDSA-N 0 3 339.480 0.668 40 0 ECABHN CN(C)CCNC(=O)c1nc2c(o1)CN(C(=O)c1cccnc1)C2 ZINC000096147303 282105795 /nfs/dbraw/zinc/10/57/95/282105795.db2.gz ZNYPPLCZPIAGNZ-UHFFFAOYSA-N 0 3 329.360 0.517 40 0 ECABHN O=C(Cn1ccc(C(F)(F)F)n1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257233799 244224433 /nfs/dbraw/zinc/22/44/33/244224433.db2.gz GQUARJSACRVFCT-GHMZBOCLSA-N 0 3 332.326 0.569 40 0 ECABHN NC(=O)CCC(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257276930 244393759 /nfs/dbraw/zinc/39/37/59/244393759.db2.gz NVSXCRWGMKKUQJ-HNNXBMFYSA-N 0 3 347.406 0.727 40 0 ECABHN COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(F)cc2)[C@@H]1O ZINC000012483780 211391657 /nfs/dbraw/zinc/39/16/57/211391657.db2.gz BHISAHWLOUZINM-DGXTUMSLSA-N 0 3 326.368 0.005 40 0 biogenic,in-vitro ECABHN CN(C)CCOC[C@@H]1CN(C(=O)c2ccco2)Cc2nnn(C)c21 ZINC000096045445 436506704 /nfs/dbraw/zinc/50/67/04/436506704.db2.gz CIUIIQANERHAQA-LBPRGKRZSA-N 0 3 333.392 0.726 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)C2=CCCC2)Cc2nnn(C)c21 ZINC000096045471 436506961 /nfs/dbraw/zinc/50/69/61/436506961.db2.gz YHCHMUJLDRPCMX-AWEZNQCLSA-N 0 3 333.436 0.929 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCOC2)C1 ZINC000096066824 436509114 /nfs/dbraw/zinc/50/91/14/436509114.db2.gz HQCZBGBQIVJGAH-CABCVRRESA-N 0 3 336.436 0.456 40 0 ECABHN O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(C3CCOCC3)C2)C1 ZINC000096062342 436509279 /nfs/dbraw/zinc/50/92/79/436509279.db2.gz XOAIJWQAAVZNDT-INIZCTEOSA-N 0 3 344.477 0.682 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@@H](NS(=O)(=O)C1CC1)C2 ZINC000096067614 436510672 /nfs/dbraw/zinc/51/06/72/436510672.db2.gz FZLJWIKKLLTJLT-CYBMUJFWSA-N 0 3 339.461 0.349 40 0 ECABHN CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(C(=O)C(C)(C)N)C1 ZINC000257292859 436864170 /nfs/dbraw/zinc/86/41/70/436864170.db2.gz QNFLTSJYXGHCSA-SFHVURJKSA-N 0 3 347.463 0.891 40 0 ECABHN CNC(=O)CCc1cccc(C2CCN([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000257288587 436864632 /nfs/dbraw/zinc/86/46/32/436864632.db2.gz PUVURPXBODRXHM-SJORKVTESA-N 0 3 333.432 0.699 40 0 ECABHN Cn1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cn1 ZINC000257310321 436868923 /nfs/dbraw/zinc/86/89/23/436868923.db2.gz UEQFZOKGOCVQON-AWEZNQCLSA-N 0 3 328.363 0.728 40 0 ECABHN C[C@@]1(N(CCN)S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000575426527 438749726 /nfs/dbraw/zinc/74/97/26/438749726.db2.gz UWSSIDPNSNHMRL-CYBMUJFWSA-N 0 3 332.447 0.213 40 0 ECABHN CC(=O)N1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289268 438812104 /nfs/dbraw/zinc/81/21/04/438812104.db2.gz KODQEKSVFNWFJZ-ZWKOTPCHSA-N 0 3 329.444 0.581 40 0 biogenic,in-vitro ECABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)c1ccnn1C)CCC2 ZINC000585108160 439631305 /nfs/dbraw/zinc/63/13/05/439631305.db2.gz IIHPPMVRPKZFFJ-DYVFJYSZSA-N 0 3 334.420 0.767 40 0 ECABHN CNC(=O)CC[C@]1(O)CCCN(C(=O)C2(C)CCN(C)CC2)C1 ZINC000585276680 439637674 /nfs/dbraw/zinc/63/76/74/439637674.db2.gz CIDFUHADRBENEF-QGZVFWFLSA-N 0 3 325.453 0.598 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218070273 535596718 /nfs/dbraw/zinc/59/67/18/535596718.db2.gz PFDNRDUVVJRKFR-IPYPFGDCSA-N 0 3 327.402 0.714 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 ZINC000097953320 219063781 /nfs/dbraw/zinc/06/37/81/219063781.db2.gz MYMUJLULUNSYQD-BZUAXINKSA-N 0 3 334.420 0.669 40 0 ECABHN Cc1cc(CCC(=O)N(C)C)nc(C2CCN(C(=O)CN)CC2)n1 ZINC000072366982 216173173 /nfs/dbraw/zinc/17/31/73/216173173.db2.gz VBUGBCWFGSQVJI-UHFFFAOYSA-N 0 3 333.436 0.471 40 0 ECABHN Cc1cc(CN(C)C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)[nH]n1 ZINC000019747172 212061309 /nfs/dbraw/zinc/06/13/09/212061309.db2.gz SXRDCKDRWVEYSN-UHFFFAOYSA-N 0 3 333.436 0.477 40 0 ECABHN CCS(=O)(=O)N1CCc2nc([C@H]3CCCN3)nc(NC)c2C1 ZINC000019711536 212057670 /nfs/dbraw/zinc/05/76/70/212057670.db2.gz SUSFVIAJNJFWCJ-GFCCVEGCSA-N 0 3 325.438 0.651 40 0 ECABHN COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019590233 212049387 /nfs/dbraw/zinc/04/93/87/212049387.db2.gz IVTMLBPCYUCPSD-GFCCVEGCSA-N 0 3 334.420 0.913 40 0 ECABHN COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019590233 212049389 /nfs/dbraw/zinc/04/93/89/212049389.db2.gz IVTMLBPCYUCPSD-GFCCVEGCSA-N 0 3 334.420 0.913 40 0 ECABHN C[C@@H]1CCc2c(sc(NC(=O)CN3CCNCC3)c2C(N)=O)C1 ZINC000019497183 212032539 /nfs/dbraw/zinc/03/25/39/212032539.db2.gz VIKKQGVAWJOUOM-SNVBAGLBSA-N 0 3 336.461 0.816 40 0 ECABHN COCCNC(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096109922 218604984 /nfs/dbraw/zinc/60/49/84/218604984.db2.gz BRSXVUJWUPYBAN-OAHLLOKOSA-N 0 3 336.436 0.696 40 0 ECABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000298124023 265225042 /nfs/dbraw/zinc/22/50/42/265225042.db2.gz AMPNOTXKNRIWOF-HNNXBMFYSA-N 0 3 333.432 0.954 40 0 ECABHN CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218192016 278118253 /nfs/dbraw/zinc/11/82/53/278118253.db2.gz IDFMGVMICDREKX-MNOVXSKESA-N 0 3 333.251 0.863 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CCCO2)C1 ZINC000096188996 289170972 /nfs/dbraw/zinc/17/09/72/289170972.db2.gz GOZRJUXIOPGJGV-GOEBONIOSA-N 0 3 336.436 0.599 40 0 ECABHN Cn1ccnc1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)[C@@H]2CCCO[C@H]12 ZINC000096185934 436519411 /nfs/dbraw/zinc/51/94/11/436519411.db2.gz COABLFHCUBWNOP-KBUPBQIOSA-N 0 3 334.420 0.418 40 0 ECABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)N1CCOCC1 ZINC000096205831 436522519 /nfs/dbraw/zinc/52/25/19/436522519.db2.gz KMQHLMPRCSYHJZ-AEFFLSMTSA-N 0 3 331.416 0.779 40 0 ECABHN Cc1cccc(CN2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)n1 ZINC000096040719 436505666 /nfs/dbraw/zinc/50/56/66/436505666.db2.gz HPDVAEQAJXFGJX-NXHRZFHOSA-N 0 3 345.443 0.943 40 0 ECABHN CN(C)[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]1Cc1ccncc1 ZINC000096070083 436509964 /nfs/dbraw/zinc/50/99/64/436509964.db2.gz UGVXYCYSTPLQFF-CABCVRRESA-N 0 3 349.460 0.751 40 0 ECABHN CC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096083068 436511552 /nfs/dbraw/zinc/51/15/52/436511552.db2.gz PCCJWUAKUFHWAN-AEFFLSMTSA-N 0 3 347.463 0.569 40 0 ECABHN COCCN1CC2(C[C@H]1COC)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096206121 436523838 /nfs/dbraw/zinc/52/38/38/436523838.db2.gz DPYCGUMCBZARTQ-AWEZNQCLSA-N 0 3 349.497 0.242 40 0 ECABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096228833 436527352 /nfs/dbraw/zinc/52/73/52/436527352.db2.gz UTCUXOIVOYNUTH-GOSISDBHSA-N 0 3 349.479 0.536 40 0 ECABHN N[C@@H]1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)C1 ZINC000096530699 436533746 /nfs/dbraw/zinc/53/37/46/436533746.db2.gz GCQRXGZYLFJDBU-CYBMUJFWSA-N 0 3 328.351 0.616 40 0 ECABHN Cc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)o1 ZINC000248133995 436801466 /nfs/dbraw/zinc/80/14/66/436801466.db2.gz ZPQBOZFTEWZEEY-RYQLBKOJSA-N 0 3 346.475 0.867 40 0 ECABHN Cn1c(=O)oc2ccc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)cc21 ZINC000257263843 436862778 /nfs/dbraw/zinc/86/27/78/436862778.db2.gz LRSKOLIJBDRZDT-ZIAGYGMSSA-N 0 3 331.372 0.413 40 0 ECABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1cccnc1 ZINC000257316875 436871281 /nfs/dbraw/zinc/87/12/81/436871281.db2.gz VHJLWFQCDQOOIZ-NCOADZHNSA-N 0 3 342.399 0.717 40 0 ECABHN NCc1cnn(-c2ccccc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000257328784 436871779 /nfs/dbraw/zinc/87/17/79/436871779.db2.gz XHCOLBWCKQEMRF-CYBMUJFWSA-N 0 3 327.388 0.669 40 0 ECABHN C[C@@H](C(=O)NCCN(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224745233 564043650 /nfs/dbraw/zinc/04/36/50/564043650.db2.gz COQDFJWKISYYRX-JTQLQIEISA-N 0 3 349.403 0.797 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1cnccn1)CCC2 ZINC000096058833 282109184 /nfs/dbraw/zinc/10/91/84/282109184.db2.gz MWIUAJPWZRLQMZ-UHFFFAOYSA-N 0 3 345.407 0.192 40 0 ECABHN Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000072360885 216167118 /nfs/dbraw/zinc/16/71/18/216167118.db2.gz CQFPIZGBEBAYMX-GFCCVEGCSA-N 0 3 327.392 0.983 40 0 ECABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(CN)COC ZINC000218145820 241301477 /nfs/dbraw/zinc/30/14/77/241301477.db2.gz LLXSNSPNPDJJQN-QLFBSQMISA-N 0 3 327.402 0.907 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000020511765 212141388 /nfs/dbraw/zinc/14/13/88/212141388.db2.gz UKUGTHSANDDSEY-CQSZACIVSA-N 0 3 346.497 0.107 40 0 ECABHN CN(C)CCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020484422 212136816 /nfs/dbraw/zinc/13/68/16/212136816.db2.gz GBATWQCNMVYKLS-UHFFFAOYSA-N 0 3 328.438 0.221 40 0 ECABHN CN1CCN(C(=O)CCn2ncc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257226072 244202749 /nfs/dbraw/zinc/20/27/49/244202749.db2.gz FJADJRKSDOJJRS-AWEZNQCLSA-N 0 3 329.404 0.302 40 0 ECABHN C[C@H]1CCc2c(sc(NC(=O)CN3CCNCC3)c2C(N)=O)C1 ZINC000019497184 212032140 /nfs/dbraw/zinc/03/21/40/212032140.db2.gz VIKKQGVAWJOUOM-JTQLQIEISA-N 0 3 336.461 0.816 40 0 ECABHN CN([C@@H](C(=O)NC1CCN(C)CC1)c1ccccc1)S(C)(=O)=O ZINC000224663655 289777647 /nfs/dbraw/zinc/77/76/47/289777647.db2.gz YVUWVJOAGIMDOV-OAHLLOKOSA-N 0 3 339.461 0.830 40 0 ECABHN Cc1ccccc1OC[C@H](O)CNCCn1cc(C)c(=O)[nH]c1=O ZINC000001532362 435959619 /nfs/dbraw/zinc/95/96/19/435959619.db2.gz RETPFDTUCPKFEC-CQSZACIVSA-N 0 3 333.388 0.183 40 0 in-man ECABHN Cn1cc(-c2nnn3c2CO[C@@H](CNCc2ccccn2)C3)cn1 ZINC000096199175 436520489 /nfs/dbraw/zinc/52/04/89/436520489.db2.gz DZKAJNCDSODZML-AWEZNQCLSA-N 0 3 325.376 0.762 40 0 ECABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(S(=O)(=O)CC)C2 ZINC000096045539 436505949 /nfs/dbraw/zinc/50/59/49/436505949.db2.gz CTLDPFACXOAUQK-LBPRGKRZSA-N 0 3 345.469 0.125 40 0 ECABHN COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)CNC(C)=O)C2)cc1 ZINC000257284212 436861688 /nfs/dbraw/zinc/86/16/88/436861688.db2.gz PBTXQRCCDPPNFX-GOSISDBHSA-N 0 3 349.431 0.227 40 0 ECABHN CC(=O)N1CCC(O)(CN2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257319758 436870558 /nfs/dbraw/zinc/87/05/58/436870558.db2.gz VTYPOHXWEBJCPF-INIZCTEOSA-N 0 3 348.447 0.341 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000257326027 436873610 /nfs/dbraw/zinc/87/36/10/436873610.db2.gz WVMBIUTVJLXDNQ-SNVBAGLBSA-N 0 3 328.800 0.397 40 0 ECABHN CC(=O)N1CCN(C(=O)c2ccc(CN(C)C)cc2)C[C@@H](C(N)=O)C1 ZINC000257337339 436875380 /nfs/dbraw/zinc/87/53/80/436875380.db2.gz YSKUVJWBGRSVNT-INIZCTEOSA-N 0 3 346.431 0.154 40 0 ECABHN O=C(CN1CCOCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257264633 303615254 /nfs/dbraw/zinc/61/52/54/303615254.db2.gz LVJMMDPQWBDMQV-HNNXBMFYSA-N 0 3 347.406 0.013 40 0 ECABHN COCCN1C(=O)CO[C@H]2CN(CC3(O)CCCCCC3)C[C@@H]21 ZINC000585283292 439640210 /nfs/dbraw/zinc/64/02/10/439640210.db2.gz MZOAHKZFJRBIPP-GJZGRUSLSA-N 0 3 326.437 0.630 40 0 ECABHN Cn1cc(CN2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cn1 ZINC000072352749 216163020 /nfs/dbraw/zinc/16/30/20/216163020.db2.gz ZZXAWYQBGWBHFL-HNNXBMFYSA-N 0 3 329.452 0.879 40 0 ECABHN Nc1cc(CC[C@H]2CN(S(=O)(=O)c3cn[n-]c3)CCO2)cc[nH+]1 ZINC000257229551 244207582 /nfs/dbraw/zinc/20/75/82/244207582.db2.gz FYMPOVNCAUUXLO-LBPRGKRZSA-N 0 3 337.405 0.409 40 0 ECABHN CN1CC[C@H](c2nc(CNC(=O)CN3CCCCCC3=O)c[nH]2)C1 ZINC000257246184 244258167 /nfs/dbraw/zinc/25/81/67/244258167.db2.gz ISXJMZHNPDKRBR-ZDUSSCGKSA-N 0 3 333.436 0.848 40 0 ECABHN CN(C)c1ncc(F)c(CC2CC3(C2)COCCN(CCO)C3)n1 ZINC000257264650 244358155 /nfs/dbraw/zinc/35/81/55/244358155.db2.gz LVLDZLYSGNBLIU-UHFFFAOYSA-N 0 3 338.427 0.945 40 0 ECABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)CO ZINC000218192314 278117134 /nfs/dbraw/zinc/11/71/34/278117134.db2.gz RJIROVUMEBHVLO-IJLUTSLNSA-N 0 3 334.235 0.897 40 0 ECABHN CN(C)C(=O)CN1CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O ZINC000096157798 436518120 /nfs/dbraw/zinc/51/81/20/436518120.db2.gz XGUMNHBHXFLFIP-UHFFFAOYSA-N 0 3 333.436 0.323 40 0 ECABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)N1CCOCC1 ZINC000096038598 436505399 /nfs/dbraw/zinc/50/53/99/436505399.db2.gz USJYORVRESQPED-DJIMGWMZSA-N 0 3 331.416 0.635 40 0 ECABHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1 ZINC000096057873 436508392 /nfs/dbraw/zinc/50/83/92/436508392.db2.gz MDJWWSVOWQTTKV-ZMSDIMECSA-N 0 3 326.437 0.750 40 0 ECABHN CN(C)CCOC[C@H]1CN(CC2CCOCC2)Cc2nnn(C)c21 ZINC000096060686 436508585 /nfs/dbraw/zinc/50/85/85/436508585.db2.gz HBDUOGIMBGMCJF-OAHLLOKOSA-N 0 3 337.468 0.719 40 0 ECABHN Cn1cc(CN2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)cn1 ZINC000096218374 436525571 /nfs/dbraw/zinc/52/55/71/436525571.db2.gz UWOKUYRRNGKFNG-CRAIPNDOSA-N 0 3 341.415 0.832 40 0 ECABHN O=C(N[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000107713350 436614573 /nfs/dbraw/zinc/61/45/73/436614573.db2.gz YDHNOXRJGHTSIT-XKQJLSEDSA-N 0 3 346.431 0.865 40 0 ECABHN CCc1cnc(N2C[C@H]3C[C@@H](C(=O)NCCN(C)C)[C@@H](C2)O3)nc1 ZINC000248042160 436799106 /nfs/dbraw/zinc/79/91/06/436799106.db2.gz VUVQFWIBEFHUQP-RBSFLKMASA-N 0 3 333.436 0.311 40 0 ECABHN CN1CCN(C[C@]2(O)CCN(C(=O)CN3CCCCCC3)C2)CC1 ZINC000257294231 436863388 /nfs/dbraw/zinc/86/33/88/436863388.db2.gz QTDIKDJPKSMSQO-GOSISDBHSA-N 0 3 338.496 0.073 40 0 ECABHN Cc1cn(C)c([C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257296286 436866695 /nfs/dbraw/zinc/86/66/95/436866695.db2.gz RCBKZXNKHKVWMI-ZDUSSCGKSA-N 0 3 326.466 0.942 40 0 ECABHN CC(=O)N1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289267 438813673 /nfs/dbraw/zinc/81/36/73/438813673.db2.gz KODQEKSVFNWFJZ-QZTJIDSGSA-N 0 3 329.444 0.581 40 0 biogenic,in-vitro ECABHN CN(C)CCN1CCOCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 ZINC000585102421 439629828 /nfs/dbraw/zinc/62/98/28/439629828.db2.gz BURURKYSKDYDJU-UHFFFAOYSA-N 0 3 339.480 0.260 40 0 ECABHN CCOC(=O)[C@@]12CN(C)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2 ZINC000585108199 439631512 /nfs/dbraw/zinc/63/15/12/439631512.db2.gz QYFBUQDUTAHKRQ-WBMJQRKESA-N 0 3 335.408 0.162 40 0 ECABHN CO[C@@H]1COC[C@@H](N(C)Cc2cccc(OCCN(C)C)c2)[C@@H]1O ZINC000585291599 439641200 /nfs/dbraw/zinc/64/12/00/439641200.db2.gz QOKCQJAPUXJABU-KURKYZTESA-N 0 3 338.448 0.834 40 0 ECABHN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]12 ZINC000257271920 536302137 /nfs/dbraw/zinc/30/21/37/536302137.db2.gz NAIYCMOOZYOGOE-OWCLPIDISA-N 0 3 345.447 0.482 40 0 ECABHN CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)N1C ZINC000035442526 213028806 /nfs/dbraw/zinc/02/88/06/213028806.db2.gz INZSVMMQOHNSFI-UXLLHSPISA-N 0 3 338.496 0.917 40 0 biogenic,in-vitro ECABHN CNCC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257217772 244175286 /nfs/dbraw/zinc/17/52/86/244175286.db2.gz DANXRQFXHLMLDP-GFCCVEGCSA-N 0 3 327.392 0.936 40 0 ECABHN CNC(=O)c1cccc([C@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)c1 ZINC000257224429 244194041 /nfs/dbraw/zinc/19/40/41/244194041.db2.gz FBTYOTVWCRAUGC-MRXNPFEDSA-N 0 3 341.415 0.827 40 0 ECABHN COC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccccc1 ZINC000019818038 212071551 /nfs/dbraw/zinc/07/15/51/212071551.db2.gz ICYGTKXWRYSLGX-KBPBESRZSA-N 0 3 330.388 0.250 40 0 ECABHN COc1cc(N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)ncn1 ZINC000096073945 286229144 /nfs/dbraw/zinc/22/91/44/286229144.db2.gz QSPCUVUFNMYZNS-QGZVFWFLSA-N 0 3 333.436 0.866 40 0 ECABHN COCC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000019079633 436105720 /nfs/dbraw/zinc/10/57/20/436105720.db2.gz GTLLJYZPOCKMOI-DZGCQCFKSA-N 0 3 349.431 0.489 40 0 ECABHN Cc1cccc(CN2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)n1 ZINC000096185450 436518618 /nfs/dbraw/zinc/51/86/18/436518618.db2.gz UVTQLZYEHUIAFE-CWRNSKLLSA-N 0 3 339.461 0.776 40 0 ECABHN CCOc1cc([C@H](N)c2nnc(Cn3cncn3)[nH]2)ccc1OC ZINC000095534400 436500384 /nfs/dbraw/zinc/50/03/84/436500384.db2.gz GRFJQTNFDPCEGI-AWEZNQCLSA-N 0 3 329.364 0.900 40 0 ECABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cn(C)cn1)CC[C@H]2OC ZINC000096206449 436522698 /nfs/dbraw/zinc/52/26/98/436522698.db2.gz BORPDDQSFHKPSR-YNEHKIRRSA-N 0 3 328.438 0.150 40 0 ECABHN CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)CC1 ZINC000096041026 436504569 /nfs/dbraw/zinc/50/45/69/436504569.db2.gz VPTDWWHIDQVMQD-BPUTZDHNSA-N 0 3 345.447 0.671 40 0 ECABHN COc1ccc(CN2CCC3(CC2)C(=O)N(CCO)CCN3C)cc1 ZINC000096050081 436507095 /nfs/dbraw/zinc/50/70/95/436507095.db2.gz MFGVONRRQLIALO-UHFFFAOYSA-N 0 3 347.459 0.796 40 0 ECABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1cnn(C)c1)C2 ZINC000096060858 436508856 /nfs/dbraw/zinc/50/88/56/436508856.db2.gz LWACESJLBRWFBE-OAHLLOKOSA-N 0 3 347.467 0.709 40 0 ECABHN COCCn1cc2c(n1)[C@@H](CNC(=O)C1CCN(C)CC1)OCC2 ZINC000096068166 436510442 /nfs/dbraw/zinc/51/04/42/436510442.db2.gz RZURJRREINBVTG-OAHLLOKOSA-N 0 3 336.436 0.601 40 0 ECABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096215822 436524403 /nfs/dbraw/zinc/52/44/03/436524403.db2.gz SPHCPXNTUBLBMU-OAHLLOKOSA-N 0 3 336.436 0.554 40 0 ECABHN COCCn1cnc2nnc3ccc(C(=O)NCCN(C)C)cc3c21 ZINC000096264249 436528412 /nfs/dbraw/zinc/52/84/12/436528412.db2.gz UFSMXVFZQYRNND-UHFFFAOYSA-N 0 3 342.403 0.917 40 0 ECABHN Cc1ncsc1CN1CCN(C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257341757 436874722 /nfs/dbraw/zinc/87/47/22/436874722.db2.gz ZLWLOWVWAKEAJZ-ZDUSSCGKSA-N 0 3 338.477 0.850 40 0 ECABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)n1 ZINC000328967546 437295025 /nfs/dbraw/zinc/29/50/25/437295025.db2.gz CUXKOGCXRCSULY-OAHLLOKOSA-N 0 3 342.447 0.947 40 0 ECABHN COCCN1CCOC[C@@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 ZINC000585104993 439629774 /nfs/dbraw/zinc/62/97/74/439629774.db2.gz XPCBLCIYYMHEBD-KRWDZBQOSA-N 0 3 337.420 0.989 40 0 ECABHN CO[C@@H]1CCN(Cc2c[nH]nc2C)C[C@H]1CC(=O)N1CCOCC1 ZINC000585273319 439637292 /nfs/dbraw/zinc/63/72/92/439637292.db2.gz BXJIRNSBOLSLSR-GDBMZVCRSA-N 0 3 336.436 0.804 40 0 ECABHN CN(C)CCN1CCOCC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000096239847 282101272 /nfs/dbraw/zinc/10/12/72/282101272.db2.gz NUKCGTYYHWVFMT-MRXNPFEDSA-N 0 3 339.480 0.526 40 0 ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCOC2)C1 ZINC000096188993 282109133 /nfs/dbraw/zinc/10/91/33/282109133.db2.gz VKJIHZGHDXJXAO-HUUCEWRRSA-N 0 3 336.436 0.456 40 0 ECABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218134151 241299646 /nfs/dbraw/zinc/29/96/46/241299646.db2.gz CPFFRSNGZKOVOH-SOUVJXGZSA-N 0 3 327.402 0.907 40 0 ECABHN CN1CCN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257202044 244121122 /nfs/dbraw/zinc/12/11/22/244121122.db2.gz AKFNBCLZQMFDSQ-NSHDSACASA-N 0 3 327.787 0.897 40 0 ECABHN O=C(c1cncnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257248912 244263822 /nfs/dbraw/zinc/26/38/22/244263822.db2.gz JFTYZIHENQUKAF-CQSZACIVSA-N 0 3 326.347 0.785 40 0 ECABHN CN1CCN(Cc2cnc(-c3ccccc3)nc2)C[C@@H](C(N)=O)C1 ZINC000257255645 244282380 /nfs/dbraw/zinc/28/23/80/244282380.db2.gz KIIFXRWOMCAQRO-INIZCTEOSA-N 0 3 325.416 0.993 40 0 ECABHN CN(C)S(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257263516 244352779 /nfs/dbraw/zinc/35/27/79/244352779.db2.gz LQHDERGZFWZFMC-HNNXBMFYSA-N 0 3 345.440 0.501 40 0 ECABHN C[C@@H](C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2)N1CCOCC1 ZINC000019078814 211998821 /nfs/dbraw/zinc/99/88/21/211998821.db2.gz FRZSXXOOYYVGBR-XJKSGUPXSA-N 0 3 345.447 0.507 40 0 ECABHN COCCN1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 ZINC000096243702 285014093 /nfs/dbraw/zinc/01/40/93/285014093.db2.gz NFXIXBNFRLXJNM-HNNXBMFYSA-N 0 3 348.447 0.842 40 0 ECABHN CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000306142094 257924919 /nfs/dbraw/zinc/92/49/19/257924919.db2.gz WPGPITCHIFOFNJ-CQSZACIVSA-N 0 3 327.454 0.532 40 0 ECABHN COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@H](C)N)C1)O2 ZINC000012122831 286386351 /nfs/dbraw/zinc/38/63/51/286386351.db2.gz ZLPRBAUHNDQSCV-APPDUMDISA-N 0 3 333.388 0.526 40 0 ECABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(C)CC1 ZINC000022926968 436122045 /nfs/dbraw/zinc/12/20/45/436122045.db2.gz MUIRNODWUQLLIJ-YESZJQIVSA-N 0 3 337.512 0.652 40 0 biogenic,in-vitro ECABHN O=C(c1cnccn1)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096041627 436504404 /nfs/dbraw/zinc/50/44/04/436504404.db2.gz FOVAFPIRNRASII-GVDBMIGSSA-N 0 3 346.431 0.961 40 0 ECABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049492 436506302 /nfs/dbraw/zinc/50/63/02/436506302.db2.gz JZOGFVSGROLXFR-GOSISDBHSA-N 0 3 332.448 0.742 40 0 ECABHN O=C(c1ccncc1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096054385 436506750 /nfs/dbraw/zinc/50/67/50/436506750.db2.gz KDEPILCBBYJQNE-SJORKVTESA-N 0 3 330.432 0.703 40 0 ECABHN CC(C)NC(=O)N1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC000096067038 436509993 /nfs/dbraw/zinc/50/99/93/436509993.db2.gz LRJXDMPZRBVBQS-HNNXBMFYSA-N 0 3 334.468 0.680 40 0 ECABHN CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCCN(C)C ZINC000096113018 436513138 /nfs/dbraw/zinc/51/31/38/436513138.db2.gz WGDQFBPZVNXXDG-DLBZAZTESA-N 0 3 346.475 0.486 40 0 biogenic,in-vitro ECABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3cccn3C)CC[C@H]21 ZINC000096249266 436529002 /nfs/dbraw/zinc/52/90/02/436529002.db2.gz WYJPTRDPSKQYFC-NVXWUHKLSA-N 0 3 334.464 0.892 40 0 ECABHN Cc1cccc(CN2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)n1 ZINC000107203777 436608291 /nfs/dbraw/zinc/60/82/91/436608291.db2.gz JMFLLHNFBOJVEW-YUELXQCFSA-N 0 3 325.434 0.386 40 0 ECABHN COCC(=O)NCC[C@H]1Cn2nccc2CN(C2CCOCC2)C1 ZINC000247855206 436797688 /nfs/dbraw/zinc/79/76/88/436797688.db2.gz TWYNHVCHGKKBIP-CQSZACIVSA-N 0 3 336.436 0.647 40 0 ECABHN CNCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O ZINC000257281691 436862732 /nfs/dbraw/zinc/86/27/32/436862732.db2.gz OQNDULDKHMOFEV-WBVHZDCISA-N 0 3 345.443 0.779 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(OC)cc1 ZINC000252516005 436836048 /nfs/dbraw/zinc/83/60/48/436836048.db2.gz PFDNRDUVVJRKFR-UMVBOHGHSA-N 0 3 327.402 0.714 40 0 ECABHN Cc1nccn1CC(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257274178 302714432 /nfs/dbraw/zinc/71/44/32/302714432.db2.gz NJWNLBAZINRSLJ-HNNXBMFYSA-N 0 3 342.390 0.886 40 0 ECABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cnn(C)c3)C[C@@H]1C2 ZINC000306136088 437167428 /nfs/dbraw/zinc/16/74/28/437167428.db2.gz PISBSNXNUBZQMM-UONOGXRCSA-N 0 3 343.435 0.454 40 0 ECABHN CNC(=O)CC[C@@]1(O)CCCN(C(=O)C2(C)CCN(C)CC2)C1 ZINC000585276677 439637419 /nfs/dbraw/zinc/63/74/19/439637419.db2.gz CIDFUHADRBENEF-KRWDZBQOSA-N 0 3 325.453 0.598 40 0 ECABHN Cc1ccc(CN(CC(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000224524877 564043057 /nfs/dbraw/zinc/04/30/57/564043057.db2.gz MORJOMCZHOTUPX-UHFFFAOYSA-N 0 3 327.450 0.434 40 0 ECABHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000004373358 210182256 /nfs/dbraw/zinc/18/22/56/210182256.db2.gz FDMVHHVYOGARCF-DUVNUKRYSA-N 0 3 349.431 0.854 40 0 ECABHN C[C@@]1(O)CN(Cc2cnc[nH]2)CC[C@H]1n1cnc2c1ncnc2N ZINC000257202186 244120323 /nfs/dbraw/zinc/12/03/23/244120323.db2.gz AKUKTKQBIDCFHR-IAQYHMDHSA-N 0 3 328.380 0.330 40 0 ECABHN Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3cn[n-]c3)CCO2)cc[nH+]1 ZINC000257229550 244207766 /nfs/dbraw/zinc/20/77/66/244207766.db2.gz FYMPOVNCAUUXLO-GFCCVEGCSA-N 0 3 337.405 0.409 40 0 ECABHN NC(=O)CCC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257276931 244395196 /nfs/dbraw/zinc/39/51/96/244395196.db2.gz NVSXCRWGMKKUQJ-OAHLLOKOSA-N 0 3 347.406 0.727 40 0 ECABHN CNC(=O)CCc1cccc(C2CCN([C@H]3COC[C@@H]3O)CC2)n1 ZINC000257288586 244430024 /nfs/dbraw/zinc/43/00/24/244430024.db2.gz PUVURPXBODRXHM-IRXDYDNUSA-N 0 3 333.432 0.699 40 0 ECABHN O=C(c1cc2c([nH]c1=O)CCCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257218764 284622029 /nfs/dbraw/zinc/62/20/29/284622029.db2.gz DEIPUXQZCKIYAK-HZPDHXFCSA-N 0 3 331.416 0.947 40 0 ECABHN CN(c1ccccc1C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000047615622 277003040 /nfs/dbraw/zinc/00/30/40/277003040.db2.gz BPFBSSQOUCYLPB-UHFFFAOYSA-N 0 3 325.434 0.906 40 0 ECABHN CCOC(=O)[C@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1 ZINC000034781522 436255540 /nfs/dbraw/zinc/25/55/40/436255540.db2.gz OUCUGSVEWPYBKR-GGAZOKNXSA-N 0 3 329.393 0.499 40 0 ECABHN CN(C)CCN1CC[C@H]2C[C@@H](C(=O)NCCc3ccccn3)O[C@@H]2C1 ZINC000096043100 436504299 /nfs/dbraw/zinc/50/42/99/436504299.db2.gz TXMHOGBIRGLBLL-RYQLBKOJSA-N 0 3 346.475 0.781 40 0 ECABHN CN(C)CCOC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCOC2)C1 ZINC000096066825 436508257 /nfs/dbraw/zinc/50/82/57/436508257.db2.gz HQCZBGBQIVJGAH-GJZGRUSLSA-N 0 3 336.436 0.456 40 0 ECABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000096058300 436508382 /nfs/dbraw/zinc/50/83/82/436508382.db2.gz KFIOQHFHPGAJCB-OWCLPIDISA-N 0 3 334.420 0.811 40 0 ECABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096215820 436525049 /nfs/dbraw/zinc/52/50/49/436525049.db2.gz SPHCPXNTUBLBMU-HNNXBMFYSA-N 0 3 336.436 0.554 40 0 ECABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096228843 436526677 /nfs/dbraw/zinc/52/66/77/436526677.db2.gz RTVGNLMPRODAMJ-GOSISDBHSA-N 0 3 332.448 0.742 40 0 ECABHN COCCN1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000096228775 436526843 /nfs/dbraw/zinc/52/68/43/436526843.db2.gz FNSZMJHDGAXWSA-RDJZCZTQSA-N 0 3 326.437 0.753 40 0 ECABHN CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000225425625 436710537 /nfs/dbraw/zinc/71/05/37/436710537.db2.gz BEALYHFEYJKUQA-UHFFFAOYSA-N 0 3 325.434 0.761 40 0 ECABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)o1 ZINC000248087879 436801103 /nfs/dbraw/zinc/80/11/03/436801103.db2.gz 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/nfs/dbraw/zinc/63/98/19/439639819.db2.gz NDZJBMSIXAHBQI-ZBFHGGJFSA-N 0 3 342.823 0.514 40 0 ECABHN COc1cc(N2CC3(C2)C[C@H](COCC(=O)N(C)C)CN3C)ncn1 ZINC000585093813 439628033 /nfs/dbraw/zinc/62/80/33/439628033.db2.gz GZUZERDQILQNLQ-ZDUSSCGKSA-N 0 3 349.435 0.101 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)c2cccnc2)Cc2nnn(C)c21 ZINC000096060681 282108645 /nfs/dbraw/zinc/10/86/45/282108645.db2.gz ADBZNVALSBNNTK-AWEZNQCLSA-N 0 3 344.419 0.528 40 0 ECABHN CCN1CCN(C2=NC(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)N2)CC1 ZINC000054121087 214216532 /nfs/dbraw/zinc/21/65/32/214216532.db2.gz FQBNKBBVURYZHV-CABCVRRESA-N 0 3 344.415 0.640 40 0 ECABHN CN(C)CC(=O)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380489 216182436 /nfs/dbraw/zinc/18/24/36/216182436.db2.gz TYRVCROLBOLQLD-CYBMUJFWSA-N 0 3 349.435 0.150 40 0 ECABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000020511767 212141774 /nfs/dbraw/zinc/14/17/74/212141774.db2.gz UKUGTHSANDDSEY-AWEZNQCLSA-N 0 3 346.497 0.107 40 0 ECABHN CCS(=O)(=O)NCC[C@H]1CCOC12CN(CC1CCOCC1)C2 ZINC000253492453 244004939 /nfs/dbraw/zinc/00/49/39/244004939.db2.gz PWPKGKQDUBUECM-HNNXBMFYSA-N 0 3 346.493 0.833 40 0 ECABHN CC1CCN(C(=O)CN2CCc3nnc([C@H]4CCCN4)n3CC2)CC1 ZINC000019706305 212055494 /nfs/dbraw/zinc/05/54/94/212055494.db2.gz IZIYXFATRPBOKW-OAHLLOKOSA-N 0 3 346.479 0.819 40 0 ECABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@@H]1COCCO1)OCCO3 ZINC000019292525 212012791 /nfs/dbraw/zinc/01/27/91/212012791.db2.gz DWMGRRKCELBBRJ-CYBMUJFWSA-N 0 3 332.356 0.804 40 0 ECABHN CN1CCN(C(=O)CCn2cnc3ccccc32)C[C@H](C(N)=O)C1 ZINC000257319804 290011427 /nfs/dbraw/zinc/01/14/27/290011427.db2.gz VUCDPHLTWXFMPP-CYBMUJFWSA-N 0 3 329.404 0.302 40 0 ECABHN CC[C@H](C)[C@H](N)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000007991640 436018763 /nfs/dbraw/zinc/01/87/63/436018763.db2.gz FDMVHHVYOGARCF-BJJXKVORSA-N 0 3 349.431 0.854 40 0 ECABHN CN(C)C(=O)CN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096046852 436507228 /nfs/dbraw/zinc/50/72/28/436507228.db2.gz 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/nfs/dbraw/zinc/52/51/70/436525170.db2.gz OPEHPZXZNIPLBF-CYBMUJFWSA-N 0 3 328.438 0.093 40 0 ECABHN Cc1cccc(CN2C[C@H]3C[C@H](C(=O)NCCN(C)C)[C@@H](C2)O3)n1 ZINC000096253814 436528569 /nfs/dbraw/zinc/52/85/69/436528569.db2.gz VFCGOONFAZHXQU-IXDOHACOSA-N 0 3 332.448 0.657 40 0 ECABHN CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@H]3CCOC3)C2)CC1 ZINC000107209766 436608133 /nfs/dbraw/zinc/60/81/33/436608133.db2.gz GLEVNPSKTIISFW-IAGOWNOFSA-N 0 3 333.480 0.599 40 0 ECABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccncc3)CC[C@H]21 ZINC000248066357 436799185 /nfs/dbraw/zinc/79/91/85/436799185.db2.gz ZSOCNNLVGHORTI-IAGOWNOFSA-N 0 3 332.448 0.949 40 0 ECABHN CC(=O)N1CCN(C(=O)c2ccccc2-n2cnc(CN)c2)CC1 ZINC000257313245 436870480 /nfs/dbraw/zinc/87/04/80/436870480.db2.gz URNWDTLUZRGKIK-UHFFFAOYSA-N 0 3 327.388 0.635 40 0 ECABHN Cn1cc(CN2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1 ZINC000306127188 437164180 /nfs/dbraw/zinc/16/41/80/437164180.db2.gz FRDNXLVOVZZFPV-OLZOCXBDSA-N 0 3 341.419 0.208 40 0 ECABHN COCCN1CC[C@@H]2O[C@H](COCC(=O)N3CCCC3)CC[C@@H]21 ZINC000306122947 437165625 /nfs/dbraw/zinc/16/56/25/437165625.db2.gz AAANHZDVWLOOQL-JYJNAYRXSA-N 0 3 326.437 0.894 40 0 ECABHN CCN(CC)C[C@@H]1OC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O ZINC000514288593 438813316 /nfs/dbraw/zinc/81/33/16/438813316.db2.gz IUDCHPFCBOXYBS-OWCLPIDISA-N 0 3 342.461 0.743 40 0 biogenic,in-vitro ECABHN Cc1ccccc1N1CCC(O)(CN2CCO[C@@](C)(C(N)=O)C2)CC1 ZINC000585283881 439640458 /nfs/dbraw/zinc/64/04/58/439640458.db2.gz PLVPITQSNWVZOM-GOSISDBHSA-N 0 3 347.459 0.903 40 0 ECABHN Cn1cc(CN2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cn1 ZINC000072352748 216162593 /nfs/dbraw/zinc/16/25/93/216162593.db2.gz ZZXAWYQBGWBHFL-OAHLLOKOSA-N 0 3 329.452 0.879 40 0 ECABHN O=C(CN1CCCC1=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257252707 244273099 /nfs/dbraw/zinc/27/30/99/244273099.db2.gz JVUFQZBUFDSSKW-OAHLLOKOSA-N 0 3 345.390 0.303 40 0 ECABHN CN(C)CCOc1cccc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257271537 244379377 /nfs/dbraw/zinc/37/93/77/244379377.db2.gz MYSNWSVRNWNCKY-WMZOPIPTSA-N 0 3 334.416 0.993 40 0 ECABHN CCS(=O)(=O)N1CCc2nc([C@@H]3CCCN3)nc(NC)c2C1 ZINC000019711535 212056750 /nfs/dbraw/zinc/05/67/50/212056750.db2.gz SUSFVIAJNJFWCJ-LBPRGKRZSA-N 0 3 325.438 0.651 40 0 ECABHN N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002384979 435964996 /nfs/dbraw/zinc/96/49/96/435964996.db2.gz RVKIPWVMZANZLI-ZFWWWQNUSA-N 0 3 332.404 0.736 40 0 endogenous,in-man ECABHN CCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC)CC3)C2=O)C1 ZINC000019699887 436107644 /nfs/dbraw/zinc/10/76/44/436107644.db2.gz ZWMUNFBHOQMASB-ZDUSSCGKSA-N 0 3 336.436 0.794 40 0 ECABHN CCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186308 436519778 /nfs/dbraw/zinc/51/97/78/436519778.db2.gz VLLLFEJGBPVNCR-GJZGRUSLSA-N 0 3 343.493 0.887 40 0 ECABHN CN(C)CCN1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@@H]2C1 ZINC000096042865 436504449 /nfs/dbraw/zinc/50/44/49/436504449.db2.gz TXMHOGBIRGLBLL-CGTJXYLNSA-N 0 3 346.475 0.781 40 0 ECABHN Cc1ccc(N2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@@H]3C)nn1 ZINC000096201533 436523368 /nfs/dbraw/zinc/52/33/68/436523368.db2.gz WHHKGRABWRKNCB-OAHLLOKOSA-N 0 3 347.463 0.933 40 0 ECABHN Cc1ccc(N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)nn1 ZINC000096230061 436525952 /nfs/dbraw/zinc/52/59/52/436525952.db2.gz DJDZHHGFPYEKSL-UHFFFAOYSA-N 0 3 346.479 0.460 40 0 ECABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccncc3)CC[C@H]21 ZINC000248066362 436798805 /nfs/dbraw/zinc/79/88/05/436798805.db2.gz ZSOCNNLVGHORTI-SJORKVTESA-N 0 3 332.448 0.949 40 0 ECABHN CNC(=O)[C@]1(C)CN(C(=O)CCN(C)Cc2cccnc2)CCO1 ZINC000257294702 436863520 /nfs/dbraw/zinc/86/35/20/436863520.db2.gz QVHXMZIULKLXOB-KRWDZBQOSA-N 0 3 334.420 0.267 40 0 ECABHN O=C(CN1CCCCCC1)N1CC[C@@](O)(CN2CCOCC2)C1 ZINC000257306196 436868657 /nfs/dbraw/zinc/86/86/57/436868657.db2.gz STGIXIQFXHXQLW-QGZVFWFLSA-N 0 3 325.453 0.158 40 0 ECABHN COCCNC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585289090 439640942 /nfs/dbraw/zinc/64/09/42/439640942.db2.gz DJTAADLEMVQAMP-HOCLYGCPSA-N 0 3 342.823 0.514 40 0 ECABHN CN1C(=O)CO[C@H]2CN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21 ZINC000585289251 439641183 /nfs/dbraw/zinc/64/11/83/439641183.db2.gz OVGKYRRJKADXRW-YUAHOQAQSA-N 0 3 346.427 0.889 40 0 ECABHN COc1cc(N2CC3(C2)C[C@@H](COCC(=O)N(C)C)CN3C)ncn1 ZINC000585093812 439627807 /nfs/dbraw/zinc/62/78/07/439627807.db2.gz GZUZERDQILQNLQ-CYBMUJFWSA-N 0 3 349.435 0.101 40 0 ECABHN CC(=O)N1CCC[C@@H]1C(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257266413 534769734 /nfs/dbraw/zinc/76/97/34/534769734.db2.gz MCXMCEXRRUSNGV-MRXNPFEDSA-N 0 3 345.447 0.913 40 0 ECABHN CNC(=O)c1cccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)c1 ZINC000257224428 244195214 /nfs/dbraw/zinc/19/52/14/244195214.db2.gz FBTYOTVWCRAUGC-INIZCTEOSA-N 0 3 341.415 0.827 40 0 ECABHN O=C(CCn1nnc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257245853 244254649 /nfs/dbraw/zinc/25/46/49/244254649.db2.gz IRIFPRHWLJQANS-HZPDHXFCSA-N 0 3 329.404 0.489 40 0 ECABHN O=C(c1n[nH]c(=O)c2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257235189 244226600 /nfs/dbraw/zinc/22/66/00/244226600.db2.gz GWVGZAQWFSPCLN-ZIAGYGMSSA-N 0 3 328.372 0.204 40 0 ECABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1 ZINC000257241851 244245636 /nfs/dbraw/zinc/24/56/36/244245636.db2.gz HZXDCCNIFCCNTR-AWEZNQCLSA-N 0 3 347.463 0.731 40 0 ECABHN COCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@H+](C)C3)CC1 ZINC000019590734 212048294 /nfs/dbraw/zinc/04/82/94/212048294.db2.gz DEVLRBSBRFRFHW-UHFFFAOYSA-N 0 3 334.420 0.913 40 0 ECABHN COCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@@H+](C)C3)CC1 ZINC000019590734 212048295 /nfs/dbraw/zinc/04/82/95/212048295.db2.gz DEVLRBSBRFRFHW-UHFFFAOYSA-N 0 3 334.420 0.913 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000122839660 222170371 /nfs/dbraw/zinc/17/03/71/222170371.db2.gz MMRFCYWZDKJKNM-CQSZACIVSA-N 0 3 339.461 0.765 40 0 ECABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(S(=O)(=O)C1CC1)CC2 ZINC000096217728 289151881 /nfs/dbraw/zinc/15/18/81/289151881.db2.gz GQLOWEGGEUZPLO-MRXNPFEDSA-N 0 3 343.493 0.887 40 0 ECABHN COCC(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C ZINC000019079636 436104502 /nfs/dbraw/zinc/10/45/02/436104502.db2.gz GTLLJYZPOCKMOI-UKRRQHHQSA-N 0 3 349.431 0.489 40 0 ECABHN NC(=O)[C@@H]1CCCN(CCN2CCN3CCc4cccc(c43)C2=O)C1 ZINC000019346802 436108420 /nfs/dbraw/zinc/10/84/20/436108420.db2.gz BYVJTIBECGJXLT-OAHLLOKOSA-N 0 3 342.443 0.702 40 0 ECABHN CN1CCc2nc(N)nc(-c3nc(N)nc4c3CN(C)CC4)c2C1 ZINC000031772093 436232673 /nfs/dbraw/zinc/23/26/73/436232673.db2.gz QDOFXHLKZYKCIA-UHFFFAOYSA-N 0 3 326.408 0.074 40 0 in-vitro ECABHN COc1ncccc1CN1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1 ZINC000096186826 436520100 /nfs/dbraw/zinc/52/01/00/436520100.db2.gz MPHYLBPVKPCOFA-BRWVUGGUSA-N 0 3 333.432 0.869 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000096196659 436521310 /nfs/dbraw/zinc/52/13/10/436521310.db2.gz QZSAZJHBQXJMCU-HNNXBMFYSA-N 0 3 333.432 0.374 40 0 ECABHN Cc1noc(C)c1CNC[C@@H]1Cn2nnc(-c3ccnn3C)c2CO1 ZINC000096069330 436510286 /nfs/dbraw/zinc/51/02/86/436510286.db2.gz DKYAVMPGYKNFDF-GFCCVEGCSA-N 0 3 343.391 0.972 40 0 ECABHN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN([C@H]3CCOC3)CC2)O1 ZINC000096243669 436526652 /nfs/dbraw/zinc/52/66/52/436526652.db2.gz QICGVQNMWBMJQI-GJZGRUSLSA-N 0 3 348.447 0.887 40 0 ECABHN CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096263054 436529400 /nfs/dbraw/zinc/52/94/00/436529400.db2.gz AFTGIQNEGVUFMA-AWEZNQCLSA-N 0 3 344.419 0.253 40 0 ECABHN NC(=O)[C@@H]1CN(C(=O)CC2CCCC2)CCN(C2CCOCC2)C1 ZINC000257325356 436872281 /nfs/dbraw/zinc/87/22/81/436872281.db2.gz WSPIVXBYARGDSC-HNNXBMFYSA-N 0 3 337.464 0.991 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000257338885 436873912 /nfs/dbraw/zinc/87/39/12/436873912.db2.gz YZHLTIRVVUXKDK-OAHLLOKOSA-N 0 3 329.400 0.599 40 0 ECABHN COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/CN(C)C)CC[C@H]21 ZINC000585289811 439641805 /nfs/dbraw/zinc/64/18/05/439641805.db2.gz NZQLPPVQJJAXHQ-AUPUMLSVSA-N 0 3 337.464 0.980 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCCn2nc(C)cc2C)C1 ZINC000257252683 536398699 /nfs/dbraw/zinc/39/86/99/536398699.db2.gz JVSGAKJENMTYAE-HNNXBMFYSA-N 0 3 335.452 0.416 40 0 ECABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000257213258 536414048 /nfs/dbraw/zinc/41/40/48/536414048.db2.gz CGUQIOPLFZXYNA-GOSISDBHSA-N 0 3 348.447 0.392 40 0 ECABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)CO ZINC000242648885 545934429 /nfs/dbraw/zinc/93/44/29/545934429.db2.gz RJIROVUMEBHVLO-UTUOFQBUSA-N 0 3 334.235 0.897 40 0 ECABHN CN(C)CCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000224874003 564043861 /nfs/dbraw/zinc/04/38/61/564043861.db2.gz YXQHQKRNALNBBS-UHFFFAOYSA-N 0 3 347.868 0.779 40 0 ECABHN Cc1cc(NCCN(C)C)nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072365010 216171250 /nfs/dbraw/zinc/17/12/50/216171250.db2.gz UUGXYKGZWGWCSG-GFCCVEGCSA-N 0 3 327.454 0.855 40 0 ECABHN CN1CCN([C@H]2CCN(C(=O)CCCn3cccn3)CC[C@@H]2O)CC1 ZINC000257262455 244350097 /nfs/dbraw/zinc/35/00/97/244350097.db2.gz LLLOIXFKJPUUBD-IRXDYDNUSA-N 0 3 349.479 0.263 40 0 ECABHN CN(C)CCN1CC[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)C1=O ZINC000096223885 289156556 /nfs/dbraw/zinc/15/65/56/289156556.db2.gz CXGKNYAOLGRHHM-OAHLLOKOSA-N 0 3 329.466 0.355 40 0 ECABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1 ZINC000008297959 436026056 /nfs/dbraw/zinc/02/60/56/436026056.db2.gz AZLNHLQPMVGKDE-BMFZPTHFSA-N 0 3 334.468 0.575 40 0 biogenic,in-vitro ECABHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1Cc1cccc(Cl)c1)O3 ZINC000096145977 436516432 /nfs/dbraw/zinc/51/64/32/436516432.db2.gz CHBGNFUAXNWUQQ-RDBSUJKOSA-N 0 3 328.821 0.985 40 0 ECABHN CN(C)[C@H]1COC2(C1)CCN(S(=O)(=O)c1cn(C)cn1)CC2 ZINC000096158638 436517061 /nfs/dbraw/zinc/51/70/61/436517061.db2.gz OUUNTQXGVKPFGD-GFCCVEGCSA-N 0 3 328.438 0.294 40 0 ECABHN CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCCO1)CCC2 ZINC000096197562 436521063 /nfs/dbraw/zinc/52/10/63/436521063.db2.gz DOSDFXPJJQKPHT-OAHLLOKOSA-N 0 3 348.447 0.995 40 0 ECABHN CNC(=O)CN1CCOC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096049481 436507241 /nfs/dbraw/zinc/50/72/41/436507241.db2.gz YSPOVZOJQZULLV-KRWDZBQOSA-N 0 3 335.452 0.081 40 0 ECABHN CN1CCN(Cc2cn3c(n2)CN(CC2CCOCC2)CC3)CC1 ZINC000096059428 436508950 /nfs/dbraw/zinc/50/89/50/436508950.db2.gz SZDCEWPOQAVHAX-UHFFFAOYSA-N 0 3 333.480 0.873 40 0 ECABHN Cc1cc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)no1 ZINC000096064391 436509191 /nfs/dbraw/zinc/50/91/91/436509191.db2.gz ZCDZEFKQZYKRCC-IPYPFGDCSA-N 0 3 330.392 0.810 40 0 ECABHN CS(=O)(=O)N1CCCn2nnc(COCCN3CCCC3)c2C1 ZINC000096258993 436528232 /nfs/dbraw/zinc/52/82/32/436528232.db2.gz OWAOZYHLJQCMAQ-UHFFFAOYSA-N 0 3 343.453 0.056 40 0 ECABHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(Cc1ccccn1)CC2 ZINC000096260682 436528876 /nfs/dbraw/zinc/52/88/76/436528876.db2.gz QJENNOOVHLLMQY-UHFFFAOYSA-N 0 3 340.427 0.932 40 0 ECABHN Cc1cc(CN2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)oc1C ZINC000247990024 436799305 /nfs/dbraw/zinc/79/93/05/436799305.db2.gz AIWXJICPZSSJDX-YUELXQCFSA-N 0 3 328.434 0.892 40 0 ECABHN O=C(Cn1cccn1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257284272 436862135 /nfs/dbraw/zinc/86/21/35/436862135.db2.gz PBZWHZCSTVKCMN-IBGZPJMESA-N 0 3 340.427 0.905 40 0 ECABHN Cc1ccc(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000575424379 438749478 /nfs/dbraw/zinc/74/94/78/438749478.db2.gz KTZQQNUHPQARAN-ZDUSSCGKSA-N 0 3 346.474 0.440 40 0 ECABHN CN1CCC(N2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)CC1 ZINC000514289846 438811297 /nfs/dbraw/zinc/81/12/97/438811297.db2.gz PHQLUQGQLZHYSE-HIFRSBDPSA-N 0 3 337.445 0.504 40 0 biogenic,in-vitro ECABHN CN1CCN([C@H]2CN(Cc3ccc(OCCF)cc3)C[C@@H]2O)CC1 ZINC000585270315 439637333 /nfs/dbraw/zinc/63/73/33/439637333.db2.gz UMVDLLIIHNDADV-ROUUACIJSA-N 0 3 337.439 0.827 40 0 ECABHN CN(C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291989 439641824 /nfs/dbraw/zinc/64/18/24/439641824.db2.gz UULLFOSLBMJPSO-KURKYZTESA-N 0 3 338.423 0.843 40 0 ECABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218131302 535596928 /nfs/dbraw/zinc/59/69/28/535596928.db2.gz DPYIVCDNAIVXRK-YDHLFZDLSA-N 0 3 341.385 0.434 40 0 ECABHN Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(=O)CN)C2)n1 ZINC000072360886 216167390 /nfs/dbraw/zinc/16/73/90/216167390.db2.gz CQFPIZGBEBAYMX-LBPRGKRZSA-N 0 3 327.392 0.983 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cn2c(C)nc3ccccc32)C1 ZINC000257206622 244137789 /nfs/dbraw/zinc/13/77/89/244137789.db2.gz BEGQJZYHYXELFL-CQSZACIVSA-N 0 3 343.431 0.481 40 0 ECABHN CN1CCN(C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000257213259 244157681 /nfs/dbraw/zinc/15/76/81/244157681.db2.gz CGUQIOPLFZXYNA-SFHVURJKSA-N 0 3 348.447 0.392 40 0 ECABHN CCS(=O)(=O)N1CC[C@](O)(CN(C)Cc2ccc(OC)cc2)C1 ZINC000257245186 244256222 /nfs/dbraw/zinc/25/62/22/244256222.db2.gz IOKUJOQRIBUDJO-INIZCTEOSA-N 0 3 342.461 0.914 40 0 ECABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(S(=O)(=O)CC)C2 ZINC000096045538 436506438 /nfs/dbraw/zinc/50/64/38/436506438.db2.gz CTLDPFACXOAUQK-GFCCVEGCSA-N 0 3 345.469 0.125 40 0 ECABHN CN(C)CCOC[C@@H]1CN(Cc2ccccn2)Cc2nnn(C)c21 ZINC000096060673 436508633 /nfs/dbraw/zinc/50/86/33/436508633.db2.gz FVHBCSYVEAMFHK-AWEZNQCLSA-N 0 3 330.436 0.888 40 0 ECABHN O[C@@H]1C[C@@](CNCc2cccnc2)(COc2cnccn2)C[C@@H]1O ZINC000107430551 436612339 /nfs/dbraw/zinc/61/23/39/436612339.db2.gz ZDZTUVZVUZBCKX-SCAQPMJSSA-N 0 3 330.388 0.542 40 0 biogenic,in-vitro ECABHN Cn1nccc1C(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257284318 436861948 /nfs/dbraw/zinc/86/19/48/436861948.db2.gz PCFIOYABUDYODX-CQSZACIVSA-N 0 3 328.363 0.728 40 0 ECABHN CNC(=O)[C@H]1CN(C(=O)c2ccccc2)CCN(C2CCOCC2)C1 ZINC000257338699 436875062 /nfs/dbraw/zinc/87/50/62/436875062.db2.gz YYOMVBHGBPVOQN-MRXNPFEDSA-N 0 3 345.443 0.986 40 0 ECABHN COCCN1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 ZINC000257255499 536871776 /nfs/dbraw/zinc/87/17/76/536871776.db2.gz KHSSATYVYCVQFD-UHFFFAOYSA-N 0 3 343.431 0.735 40 0 ECABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298446 545656371 /nfs/dbraw/zinc/65/63/71/545656371.db2.gz IKBVCTCWJMSXLQ-RTXFEEFZSA-N 0 3 348.432 0.576 40 0 biogenic,in-vitro ECABHN CN(C)CCN1C(=O)CC[C@]12CCCN(S(=O)(=O)C1CC1)CC2 ZINC000096217730 282098271 /nfs/dbraw/zinc/09/82/71/282098271.db2.gz GQLOWEGGEUZPLO-INIZCTEOSA-N 0 3 343.493 0.887 40 0 ECABHN CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCCC1)N2C ZINC000035442386 213028544 /nfs/dbraw/zinc/02/85/44/213028544.db2.gz LAASYKLWWXAWNN-UXLLHSPISA-N 0 3 336.480 0.671 40 0 biogenic,in-vitro ECABHN CC(=O)N1CCC[C@@](O)(CN2CC(c3[nH]nc4nccnc43)C2)CC1 ZINC000072367467 216174638 /nfs/dbraw/zinc/17/46/38/216174638.db2.gz RDZALAYKDMHKHN-KRWDZBQOSA-N 0 3 344.419 0.516 40 0 ECABHN Cn1cc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)cn1 ZINC000096110096 436513815 /nfs/dbraw/zinc/51/38/15/436513815.db2.gz DCKHOYYMUBPZRN-CRAIPNDOSA-N 0 3 341.415 0.580 40 0 ECABHN C[C@@H]1N(CCN(C)C)C(=O)COC12CCN(Cc1cnn(C)c1)CC2 ZINC000096201527 436522995 /nfs/dbraw/zinc/52/29/95/436522995.db2.gz MKRMIKMKIHRJNO-HNNXBMFYSA-N 0 3 349.479 0.564 40 0 ECABHN O=C1CC[C@H]2[C@H](CCN2S(=O)(=O)C2CC2)N1CCN1CCCC1 ZINC000096186309 436519810 /nfs/dbraw/zinc/51/98/10/436519810.db2.gz AEQRQEUCBWXPPQ-GJZGRUSLSA-N 0 3 341.477 0.640 40 0 ECABHN CN(C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1cnccn1)C2 ZINC000096189645 436522138 /nfs/dbraw/zinc/52/21/38/436522138.db2.gz PKUIWPSGTDLUOE-CQSZACIVSA-N 0 3 341.415 0.487 40 0 ECABHN CCOc1cc([C@@H](N)c2nnc(Cn3cncn3)[nH]2)ccc1OC ZINC000095534401 436500133 /nfs/dbraw/zinc/50/01/33/436500133.db2.gz GRFJQTNFDPCEGI-CQSZACIVSA-N 0 3 329.364 0.900 40 0 ECABHN CN1CCN(Cc2cnc3n2CCN(CC2CCOCC2)C3)CC1 ZINC000096087570 436511491 /nfs/dbraw/zinc/51/14/91/436511491.db2.gz HPKSBGHXEZYNQE-UHFFFAOYSA-N 0 3 333.480 0.873 40 0 ECABHN O=S(=O)(C1CC1)N1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]2C1 ZINC000096108055 436513032 /nfs/dbraw/zinc/51/30/32/436513032.db2.gz CHVUPIRBSWGXBJ-GDBMZVCRSA-N 0 3 344.477 0.538 40 0 ECABHN O=c1n(Cc2ccccc2F)nc2c(N3CCNCC3)nccn12 ZINC000096530666 436534073 /nfs/dbraw/zinc/53/40/73/436534073.db2.gz IAXDLMSDQGQUOF-UHFFFAOYSA-N 0 3 328.351 0.488 40 0 ECABHN CN(C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)n1 ZINC000328960024 437292910 /nfs/dbraw/zinc/29/29/10/437292910.db2.gz AWIHGWAAROVKKL-OAHLLOKOSA-N 0 3 342.447 0.947 40 0 ECABHN c1ccc(CN2C[C@@H]3COCCN3C3(CN(C4COC4)C3)C2)cc1 ZINC000604381684 439311852 /nfs/dbraw/zinc/31/18/52/439311852.db2.gz KZYHLNDIKFJKRI-QGZVFWFLSA-N 0 3 329.444 0.656 40 0 biogenic,in-vitro ECABHN Cc1ccccc1N1CCC(O)(CN2CCO[C@](C)(C(N)=O)C2)CC1 ZINC000585283882 439640389 /nfs/dbraw/zinc/64/03/89/439640389.db2.gz PLVPITQSNWVZOM-SFHVURJKSA-N 0 3 347.459 0.903 40 0 ECABHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCCN1C ZINC000004214355 210145293 /nfs/dbraw/zinc/14/52/93/210145293.db2.gz QCKAYJICSQJJCU-JTQLQIEISA-N 0 3 327.406 0.167 40 0 in-man ECABHN C[NH2+]CC(=O)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072383019 216184268 /nfs/dbraw/zinc/18/42/68/216184268.db2.gz CXPHLVUDAWJVRZ-GFCCVEGCSA-N 0 3 327.392 0.936 40 0 ECABHN Cc1cc(=O)n2c(n1)NC(N1CCN(C)CC1)=N[C@@H]2c1cccnc1 ZINC000009265096 211060429 /nfs/dbraw/zinc/06/04/29/211060429.db2.gz YQAJJUMKNYTPCX-HNNXBMFYSA-N 0 3 339.403 0.523 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000030868462 436222491 /nfs/dbraw/zinc/22/24/91/436222491.db2.gz MIHYGQOSLYHNRG-GFCCVEGCSA-N 0 3 345.490 0.827 40 0 ECABHN COCCN1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cnccn1)C2 ZINC000096202384 436523173 /nfs/dbraw/zinc/52/31/73/436523173.db2.gz JMCQZPHFLQDQKG-PBHICJAKSA-N 0 3 334.420 0.534 40 0 ECABHN CCS(=O)(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059591 436508644 /nfs/dbraw/zinc/50/86/44/436508644.db2.gz MAPIVXKNDAQEBF-UHFFFAOYSA-N 0 3 340.449 0.395 40 0 ECABHN CN(C)CCOC[C@H]1CN(Cc2nccs2)Cc2nnn(C)c21 ZINC000096060662 436508918 /nfs/dbraw/zinc/50/89/18/436508918.db2.gz QZUKNBLSNOCMCS-GFCCVEGCSA-N 0 3 336.465 0.949 40 0 ECABHN CN1CCN(C(=O)C[C@@H]2C[C@H]3CN(Cc4ccncc4)C[C@H]3O2)CC1 ZINC000096207265 436523312 /nfs/dbraw/zinc/52/33/12/436523312.db2.gz ABNZSEFCBPBTAX-OKZBNKHCSA-N 0 3 344.459 0.835 40 0 ECABHN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)cc1 ZINC000225615557 436712147 /nfs/dbraw/zinc/71/21/47/436712147.db2.gz XKJTWYRSQIAPSC-UHFFFAOYSA-N 0 3 345.490 0.707 40 0 ECABHN Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(C(=O)CN)C2)n1 ZINC000072360881 216167005 /nfs/dbraw/zinc/16/70/05/216167005.db2.gz XXAPHKOYYHJOLV-GFCCVEGCSA-N 0 3 327.392 0.983 40 0 ECABHN OCC(CO)N1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072363670 216169975 /nfs/dbraw/zinc/16/99/75/216169975.db2.gz OWHQRNOPBBGNOW-GFCCVEGCSA-N 0 3 330.392 0.543 40 0 ECABHN Cc1cc(NCCN(C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000072365854 216171753 /nfs/dbraw/zinc/17/17/53/216171753.db2.gz QGRUXKCNIGFTMJ-UHFFFAOYSA-N 0 3 341.481 0.898 40 0 ECABHN O=C(CCn1ccnc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257209707 244147146 /nfs/dbraw/zinc/14/71/46/244147146.db2.gz BROXNYVHSNRYLM-OAHLLOKOSA-N 0 3 342.390 0.968 40 0 ECABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1 ZINC000257216610 244171129 /nfs/dbraw/zinc/17/11/29/244171129.db2.gz CVIWPHAOKHWHPZ-GOSISDBHSA-N 0 3 343.431 0.914 40 0 ECABHN CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cccn3C)C2)CC1 ZINC000257309375 244487461 /nfs/dbraw/zinc/48/74/61/244487461.db2.gz UARSTTGFNAHRCF-GOSISDBHSA-N 0 3 348.447 0.203 40 0 ECABHN Cn1nnc2c1CCN(C(=O)C1CC1)[C@@H]2COCCN1CCCC1 ZINC000096045311 218530989 /nfs/dbraw/zinc/53/09/89/218530989.db2.gz PTRLJFHGMHOIDQ-OAHLLOKOSA-N 0 3 333.436 0.763 40 0 ECABHN COCC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000019079626 436105988 /nfs/dbraw/zinc/10/59/88/436105988.db2.gz GTLLJYZPOCKMOI-ZFWWWQNUSA-N 0 3 349.431 0.489 40 0 ECABHN COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC(C)C)O1 ZINC000030878746 436223844 /nfs/dbraw/zinc/22/38/44/436223844.db2.gz ZETVJEKQCUQNOM-JYJNAYRXSA-N 0 3 346.468 0.404 40 0 biogenic,in-vitro ECABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccncc2)N1CCN1CCOCC1 ZINC000096186319 436519743 /nfs/dbraw/zinc/51/97/43/436519743.db2.gz ZXWFQZZVXBEZFT-ROUUACIJSA-N 0 3 344.459 0.979 40 0 ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(Cc2cnn(C)c2)C1 ZINC000096188960 436521419 /nfs/dbraw/zinc/52/14/19/436521419.db2.gz GDVVZEDZUHWCJO-MRXNPFEDSA-N 0 3 332.452 0.827 40 0 ECABHN CN(C)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OCC1=O ZINC000096070206 436509790 /nfs/dbraw/zinc/50/97/90/436509790.db2.gz HYLCLCCCXJVNTK-UHFFFAOYSA-N 0 3 334.420 0.410 40 0 ECABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(OC)c1)C2 ZINC000096108405 436512996 /nfs/dbraw/zinc/51/29/96/436512996.db2.gz ZJYROUMUKRWJBD-QAPCUYQASA-N 0 3 334.416 0.906 40 0 ECABHN CN1CCN(C(=O)C[C@H]2C[C@H]3CN(Cc4ccccn4)C[C@H]3O2)CC1 ZINC000096207382 436523571 /nfs/dbraw/zinc/52/35/71/436523571.db2.gz OLGUBBHKBVECRT-CGTJXYLNSA-N 0 3 344.459 0.835 40 0 ECABHN Cc1ccc(N2CCC3(CC2)OCC(=O)N(CCN(C)C)[C@H]3C)nn1 ZINC000096201532 436523709 /nfs/dbraw/zinc/52/37/09/436523709.db2.gz WHHKGRABWRKNCB-HNNXBMFYSA-N 0 3 347.463 0.933 40 0 ECABHN Cc1nc(CN2C[C@H]3C[C@H](C(=O)NCCN(C)C)[C@@H](C2)O3)cs1 ZINC000096253813 436527949 /nfs/dbraw/zinc/52/79/49/436527949.db2.gz NSZZCINNMKTWQC-QLFBSQMISA-N 0 3 338.477 0.719 40 0 ECABHN COCCN1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247825354 436796968 /nfs/dbraw/zinc/79/69/68/436796968.db2.gz FNSZMJHDGAXWSA-NVXWUHKLSA-N 0 3 326.437 0.753 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000257301702 436867147 /nfs/dbraw/zinc/86/71/47/436867147.db2.gz RZMXQUHUDCKQSI-GFCCVEGCSA-N 0 3 325.359 0.644 40 0 ECABHN Cn1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cn1 ZINC000257310322 436868430 /nfs/dbraw/zinc/86/84/30/436868430.db2.gz UEQFZOKGOCVQON-CQSZACIVSA-N 0 3 328.363 0.728 40 0 ECABHN Cc1nc(C)c(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c(=O)[n-]1 ZINC000257332263 436871682 /nfs/dbraw/zinc/87/16/82/436871682.db2.gz XWMBUOGVMKEMBR-KRWDZBQOSA-N 0 3 336.436 0.647 40 0 ECABHN NCc1cn(-c2ccccc2C(=O)NCCN2CCOCC2)cn1 ZINC000257324817 436872673 /nfs/dbraw/zinc/87/26/73/436872673.db2.gz WQHWHXFJNKOABM-UHFFFAOYSA-N 0 3 329.404 0.393 40 0 ECABHN OCCCN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289005 438812371 /nfs/dbraw/zinc/81/23/71/438812371.db2.gz HZRFZTKBQTXGRH-QZTJIDSGSA-N 0 3 331.460 0.374 40 0 biogenic,in-vitro ECABHN Cc1cccc(N2CCC(O)(CN3CCO[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000585282581 439640029 /nfs/dbraw/zinc/64/00/29/439640029.db2.gz HFUOVULGZFOREG-GOSISDBHSA-N 0 3 347.459 0.903 40 0 ECABHN COCCNC[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585291585 439641090 /nfs/dbraw/zinc/64/10/90/439641090.db2.gz SBJONDXPFNNHJT-ZBFHGGJFSA-N 0 3 342.823 0.053 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)c2ccccn2)Cc2nnn(C)c21 ZINC000096045455 282108685 /nfs/dbraw/zinc/10/86/85/282108685.db2.gz VQEUIUJACMTSON-ZDUSSCGKSA-N 0 3 344.419 0.528 40 0 ECABHN CCOC[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O ZINC000218133994 241299314 /nfs/dbraw/zinc/29/93/14/241299314.db2.gz CPFFRSNGZKOVOH-QLFBSQMISA-N 0 3 327.402 0.907 40 0 ECABHN O=C(c1cncc(O)c1)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000257217440 244171825 /nfs/dbraw/zinc/17/18/25/244171825.db2.gz CYYHZEYQUJOHJC-QGZVFWFLSA-N 0 3 335.404 0.477 40 0 ECABHN COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)C(C)C)C(C)C ZINC000004778063 210276568 /nfs/dbraw/zinc/27/65/68/210276568.db2.gz LIUXYJCYYMVZRA-AGIUHOORSA-N 0 3 329.441 0.424 40 0 ECABHN CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218191959 278117168 /nfs/dbraw/zinc/11/71/68/278117168.db2.gz IDFMGVMICDREKX-GHMZBOCLSA-N 0 3 333.251 0.863 40 0 ECABHN CN(C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2ccncc2)C1 ZINC000096188843 436520511 /nfs/dbraw/zinc/52/05/11/436520511.db2.gz VFLFQZMYSFSILE-MRXNPFEDSA-N 0 3 342.447 0.588 40 0 ECABHN CN(C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2nccs2)C1 ZINC000096188835 436521011 /nfs/dbraw/zinc/52/10/11/436521011.db2.gz WEPOINMIDLPZDH-CYBMUJFWSA-N 0 3 348.476 0.649 40 0 ECABHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccncc3)CC[C@@H]21 ZINC000096064390 436508994 /nfs/dbraw/zinc/50/89/94/436508994.db2.gz PNVODVRWEMTKFX-PMPSAXMXSA-N 0 3 326.404 0.908 40 0 ECABHN CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H](C(N)=O)C1 ZINC000257298349 436866841 /nfs/dbraw/zinc/86/68/41/436866841.db2.gz RLHXEVGAUJYMBM-LBPRGKRZSA-N 0 3 329.404 0.371 40 0 ECABHN O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1[nH]nc2c1CCCC2 ZINC000257307490 436868314 /nfs/dbraw/zinc/86/83/14/436868314.db2.gz SYVUSXLPYGLKSU-IIAWOOMASA-N 0 3 334.420 0.242 40 0 ECABHN CC(=O)N1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 ZINC000257318248 436870487 /nfs/dbraw/zinc/87/04/87/436870487.db2.gz VNCBWQCVYXXJAD-UHFFFAOYSA-N 0 3 327.388 0.635 40 0 ECABHN Cc1ccc(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575420476 438748264 /nfs/dbraw/zinc/74/82/64/438748264.db2.gz BYEKDCWSRCSDAL-ZDUSSCGKSA-N 0 3 346.474 0.440 40 0 ECABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1 ZINC000257215993 244167330 /nfs/dbraw/zinc/16/73/30/244167330.db2.gz CSPCMZSHWSPJQQ-SFHVURJKSA-N 0 3 343.431 0.764 40 0 ECABHN CN1CCC[C@@H](NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1 ZINC000019749813 212062030 /nfs/dbraw/zinc/06/20/30/212062030.db2.gz UINQVOQGWNLMCS-CYBMUJFWSA-N 0 3 342.403 0.741 40 0 ECABHN O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224266 304446679 /nfs/dbraw/zinc/44/66/79/304446679.db2.gz ZFAHRDOLYBLJPI-LPHOPBHVSA-N 0 3 349.475 0.960 40 0 ECABHN CN(C)CCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000010111556 289160546 /nfs/dbraw/zinc/16/05/46/289160546.db2.gz FTGQRIUOZDVWQV-UHFFFAOYSA-N 0 3 333.841 0.784 40 0 ECABHN Cc1cccc(N(CC(=O)NCCN(C)C)S(C)(=O)=O)c1C ZINC000010111571 436037366 /nfs/dbraw/zinc/03/73/66/436037366.db2.gz DZIHLNVFSVCCDW-UHFFFAOYSA-N 0 3 327.450 0.747 40 0 ECABHN CN(C)c1cc(CN(C)S(=O)(=O)N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760276 436107135 /nfs/dbraw/zinc/10/71/35/436107135.db2.gz YJRPZECGHUBNQW-GFCCVEGCSA-N 0 3 342.469 0.205 40 0 ECABHN O=S1(=O)CC[C@@H](NCCCCCO[C@@H]2CCS(=O)(=O)C2)C1 ZINC000040177507 436262510 /nfs/dbraw/zinc/26/25/10/436262510.db2.gz DWSCIUVDGYPMSM-CHWSQXEVSA-N 0 3 339.479 0.137 40 0 ECABHN CN(C)CCNC(=O)[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2N1C ZINC000096185746 436518956 /nfs/dbraw/zinc/51/89/56/436518956.db2.gz KKCAZVPXVRHTQW-ARFHVFGLSA-N 0 3 336.505 0.930 40 0 ECABHN CN(C)C[C@H]1OC[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CC[C@H]12 ZINC000096185250 436519983 /nfs/dbraw/zinc/51/99/83/436519983.db2.gz BWVMAVFDRIJQSS-RWMBFGLXSA-N 0 3 328.438 0.007 40 0 ECABHN CS(=O)(=O)N[C@@H]1CCN(C[C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200883 436522396 /nfs/dbraw/zinc/52/23/96/436522396.db2.gz FCTULRPCRBGGHG-OAGGEKHMSA-N 0 3 339.461 0.653 40 0 ECABHN CN(C)CCOC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCOC2)C1 ZINC000096066822 436508506 /nfs/dbraw/zinc/50/85/06/436508506.db2.gz HQCZBGBQIVJGAH-HUUCEWRRSA-N 0 3 336.436 0.456 40 0 ECABHN COCCN1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251171 436528287 /nfs/dbraw/zinc/52/82/87/436528287.db2.gz PDTOMHTZDBSFLI-RHSMWYFYSA-N 0 3 333.436 0.482 40 0 ECABHN CCN(C)S(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000248405722 436802210 /nfs/dbraw/zinc/80/22/10/436802210.db2.gz AUQSFEJTHHOJOZ-INIZCTEOSA-N 0 3 341.477 0.929 40 0 ECABHN Cc1cc(C)n2ncc(CN3CCN(C)C[C@@H](C(=O)N(C)C)C3)c2n1 ZINC000257343517 436878086 /nfs/dbraw/zinc/87/80/86/436878086.db2.gz ZTIBQHPELHGRMU-MRXNPFEDSA-N 0 3 344.463 0.798 40 0 ECABHN Cc1nccc(C[C@H]2[C@H](NCc3cccnc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382124 439312869 /nfs/dbraw/zinc/31/28/69/439312869.db2.gz GFBFEUMEVUXSLC-BRSBDYLESA-N 0 3 328.416 0.870 40 0 biogenic,in-vitro ECABHN CN1C[C@@H](COCC(=O)N2CCCC2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093732 439628385 /nfs/dbraw/zinc/62/83/85/439628385.db2.gz AVTYNOZOBUYBOO-HNNXBMFYSA-N 0 3 347.463 0.555 40 0 ECABHN Cc1noc(C)c1CN1C[C@]2(CCCN(CC(=O)N(C)C)C2)C1=O ZINC000585099322 439629622 /nfs/dbraw/zinc/62/96/22/439629622.db2.gz DKWLBZZEYLIJBV-QGZVFWFLSA-N 0 3 334.420 0.804 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cnn3c2nc(C)cc3C)C1 ZINC000585182334 439636024 /nfs/dbraw/zinc/63/60/24/439636024.db2.gz NWZPVAPXOQPWTO-OAHLLOKOSA-N 0 3 330.436 0.456 40 0 ECABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(O)CC2)C1 ZINC000585290604 439642204 /nfs/dbraw/zinc/64/22/04/439642204.db2.gz DIQAHYIIMBCMGU-MJGOQNOKSA-N 0 3 348.443 0.010 40 0 ECABHN CNCC(=O)N1CC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 ZINC000072383033 216183622 /nfs/dbraw/zinc/18/36/22/216183622.db2.gz XXONPFREIVHLDY-LBPRGKRZSA-N 0 3 327.392 0.854 40 0 ECABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1 ZINC000257219329 244179189 /nfs/dbraw/zinc/17/91/89/244179189.db2.gz DGKPNVCEKWGGAP-SFHVURJKSA-N 0 3 343.431 0.914 40 0 ECABHN CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN(C2CCOCC2)C1 ZINC000257271558 244380751 /nfs/dbraw/zinc/38/07/51/244380751.db2.gz MYUVIGYLELGYMV-HNNXBMFYSA-N 0 3 346.431 0.381 40 0 ECABHN CCN1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 ZINC000019817994 212071992 /nfs/dbraw/zinc/07/19/92/212071992.db2.gz FQBNKBBVURYZHV-LSDHHAIUSA-N 0 3 344.415 0.640 40 0 ECABHN Cc1cccc(CN2CCO[C@]3(C2)COCCN(CCN(C)C)C3)n1 ZINC000096228918 281216933 /nfs/dbraw/zinc/21/69/33/281216933.db2.gz TUDARFIHBHWNHX-LJQANCHMSA-N 0 3 348.491 0.855 40 0 ECABHN CNc1cc(CN(C)S(=O)(=O)N(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760714 436107861 /nfs/dbraw/zinc/10/78/61/436107861.db2.gz RVGVCNOQUQJQSN-NSHDSACASA-N 0 3 328.442 0.181 40 0 ECABHN CN(C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000096188824 436521268 /nfs/dbraw/zinc/52/12/68/436521268.db2.gz HBKOFUPUYRMNDR-AWEZNQCLSA-N 0 3 331.420 0.786 40 0 ECABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 ZINC000096057190 436506904 /nfs/dbraw/zinc/50/69/04/436506904.db2.gz PISGTYMLJZZUEW-OAGGEKHMSA-N 0 3 336.436 0.267 40 0 ECABHN O=C(C1CCOCC1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1 ZINC000096081765 436510644 /nfs/dbraw/zinc/51/06/44/436510644.db2.gz YNHPXKLWMAPIQH-SJORKVTESA-N 0 3 337.464 0.420 40 0 ECABHN CN(C)CCN1CC2(CCN(C(=O)c3ccccn3)CC2)OCC1=O ZINC000096201359 436523718 /nfs/dbraw/zinc/52/37/18/436523718.db2.gz GYGBASYXDVYFGV-UHFFFAOYSA-N 0 3 346.431 0.477 40 0 ECABHN Cc1cccc(OC[C@]2(CNCc3cnn(C)c3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430383 436611847 /nfs/dbraw/zinc/61/18/47/436611847.db2.gz RCGBTWQCVZJORK-ALXJQNPVSA-N 0 3 346.431 0.794 40 0 biogenic,in-vitro ECABHN CN1CCN(C[C@]2(O)CCN(C(=O)[C@@]3(C)CCCCN3C)C2)CC1 ZINC000248077226 436799132 /nfs/dbraw/zinc/79/91/32/436799132.db2.gz HOMKOLMDEUFOBL-QZTJIDSGSA-N 0 3 338.496 0.072 40 0 ECABHN Cn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1 ZINC000306127189 437164699 /nfs/dbraw/zinc/16/46/99/437164699.db2.gz FRDNXLVOVZZFPV-QWHCGFSZSA-N 0 3 341.419 0.208 40 0 ECABHN OCCCN1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289529 438811624 /nfs/dbraw/zinc/81/16/24/438811624.db2.gz NGUCWUXQWKNELA-RTBURBONSA-N 0 3 345.487 0.417 40 0 biogenic,in-vitro ECABHN CSCC[C@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1 ZINC000585285599 439640628 /nfs/dbraw/zinc/64/06/28/439640628.db2.gz PJRLPTYFYKVXPF-KCQAQPDRSA-N 0 3 337.445 0.439 40 0 ECABHN CNc1ncccc1CN1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585294032 439641631 /nfs/dbraw/zinc/64/16/31/439641631.db2.gz CYZLHUPWPBWBKU-XWTMOSNGSA-N 0 3 343.427 0.633 40 0 ECABHN O=C(CNCCCN1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000035311464 213019794 /nfs/dbraw/zinc/01/97/94/213019794.db2.gz LZMFEGMZOYRNJN-UHFFFAOYSA-N 0 3 335.404 0.343 40 0 ECABHN CNCC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072360905 216167100 /nfs/dbraw/zinc/16/71/00/216167100.db2.gz ZFHGVMCLLQDODL-UHFFFAOYSA-N 0 3 327.392 0.936 40 0 ECABHN CNCC(=O)N1CCC(CCCc2cnccn2)(C(=O)N(C)C)CC1 ZINC000257204686 244130038 /nfs/dbraw/zinc/13/00/38/244130038.db2.gz AVXAWTPJPSLTAC-UHFFFAOYSA-N 0 3 347.463 0.716 40 0 ECABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2cccn2)C1 ZINC000257216185 244165475 /nfs/dbraw/zinc/16/54/75/244165475.db2.gz CTMJKNCGXZDROG-SFHVURJKSA-N 0 3 343.431 0.764 40 0 ECABHN CN1CCN(Cc2cnc(-c3ccccc3)nc2)C[C@H](C(N)=O)C1 ZINC000257255646 244282600 /nfs/dbraw/zinc/28/26/00/244282600.db2.gz KIIFXRWOMCAQRO-MRXNPFEDSA-N 0 3 325.416 0.993 40 0 ECABHN Cc1cc(N2CCOC[C@H](Cc3cccc(C(N)=O)n3)C2)nc(N)n1 ZINC000257299460 244457836 /nfs/dbraw/zinc/45/78/36/244457836.db2.gz RQDDXRXIQOWRFZ-GFCCVEGCSA-N 0 3 342.403 0.557 40 0 ECABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC000257324065 244527992 /nfs/dbraw/zinc/52/79/92/244527992.db2.gz WMZUXPLALXXLBT-CYBMUJFWSA-N 0 3 329.408 0.849 40 0 ECABHN CO[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)CC[C@@]12CCCO2 ZINC000257325230 286072887 /nfs/dbraw/zinc/07/28/87/286072887.db2.gz WSAAZQCDELUWON-GJZGRUSLSA-N 0 3 332.466 0.680 40 0 ECABHN CN1CCN(C[C@@]2(O)CCN(C(=O)[C@]3(C)CCCCN3C)C2)CC1 ZINC000072369447 277107947 /nfs/dbraw/zinc/10/79/47/277107947.db2.gz HOMKOLMDEUFOBL-ROUUACIJSA-N 0 3 338.496 0.072 40 0 ECABHN CNC(=O)c1cccc([C@H]2CN(CC3(O)CCOCC3)CCN2C)c1 ZINC000257294171 277261550 /nfs/dbraw/zinc/26/15/50/277261550.db2.gz QSWUVSORMOBICR-QGZVFWFLSA-N 0 3 347.459 0.876 40 0 ECABHN O=C(Cn1cccn1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257250958 295562247 /nfs/dbraw/zinc/56/22/47/295562247.db2.gz JOTUBDQKDOVJLU-AWEZNQCLSA-N 0 3 328.363 0.578 40 0 ECABHN COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C ZINC000001668495 435962510 /nfs/dbraw/zinc/96/25/10/435962510.db2.gz LIUXYJCYYMVZRA-AVGNSLFASA-N 0 3 329.441 0.424 40 0 ECABHN COc1cc(CNCCO)cc(Br)c1OCC(N)=O ZINC000008470002 436029006 /nfs/dbraw/zinc/02/90/06/436029006.db2.gz WXCMTNJZBYBQMG-UHFFFAOYSA-N 0 3 333.182 0.404 40 0 ECABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000030868468 436221628 /nfs/dbraw/zinc/22/16/28/436221628.db2.gz MIHYGQOSLYHNRG-LBPRGKRZSA-N 0 3 345.490 0.827 40 0 ECABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1 ZINC000096111601 436513787 /nfs/dbraw/zinc/51/37/87/436513787.db2.gz NSZKMZAPSSAVMV-ZACQAIPSSA-N 0 3 349.431 0.255 40 0 biogenic,in-vitro ECABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096043425 436505043 /nfs/dbraw/zinc/50/50/43/436505043.db2.gz AWYGTILRAYKIDA-BZUAXINKSA-N 0 3 336.436 0.410 40 0 ECABHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O ZINC000096077134 436510727 /nfs/dbraw/zinc/51/07/27/436510727.db2.gz HBVUWWYFXXSEIP-UHFFFAOYSA-N 0 3 348.447 0.590 40 0 ECABHN CS(=O)(=O)N[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224814 436525721 /nfs/dbraw/zinc/52/57/21/436525721.db2.gz IQZSDKDOHJIXQO-CQSZACIVSA-N 0 3 325.434 0.754 40 0 ECABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096228832 436526709 /nfs/dbraw/zinc/52/67/09/436526709.db2.gz UTCUXOIVOYNUTH-SFHVURJKSA-N 0 3 349.479 0.536 40 0 ECABHN O=C(CCn1ccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257209706 436859176 /nfs/dbraw/zinc/85/91/76/436859176.db2.gz BROXNYVHSNRYLM-HNNXBMFYSA-N 0 3 342.390 0.968 40 0 ECABHN CCOC[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O ZINC000252514484 436835489 /nfs/dbraw/zinc/83/54/89/436835489.db2.gz CPFFRSNGZKOVOH-RRFJBIMHSA-N 0 3 327.402 0.907 40 0 ECABHN Cc1ccc(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000575420475 438748881 /nfs/dbraw/zinc/74/88/81/438748881.db2.gz BYEKDCWSRCSDAL-CYBMUJFWSA-N 0 3 346.474 0.440 40 0 ECABHN NC(=O)[C@H]1CN(C(=O)c2cccs2)CCN(C2CCOCC2)C1 ZINC000585182323 439636156 /nfs/dbraw/zinc/63/61/56/439636156.db2.gz KEWZVSGHORRROX-GFCCVEGCSA-N 0 3 337.445 0.786 40 0 ECABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008297990 563625495 /nfs/dbraw/zinc/62/54/95/563625495.db2.gz FKNCYKDUQFWNGR-MCIONIFRSA-N 0 3 335.452 0.741 40 0 biogenic,in-vitro ECABHN Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1 ZINC000257301734 282202573 /nfs/dbraw/zinc/20/25/73/282202573.db2.gz RZSSHMNVEQNPHK-QZTJIDSGSA-N 0 3 340.427 0.822 40 0 ECABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)CNC(C)=O)C1 ZINC000072354513 216164808 /nfs/dbraw/zinc/16/48/08/216164808.db2.gz JZRNWDDLNLLEQL-SFHVURJKSA-N 0 3 347.459 0.772 40 0 ECABHN CN1CCN(CCCNC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000020688206 212162600 /nfs/dbraw/zinc/16/26/00/212162600.db2.gz SMHJPZYZKIKRCD-UHFFFAOYSA-N 0 3 346.431 0.166 40 0 ECABHN CN1CCN(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCOC1)CC2 ZINC000096230135 277109399 /nfs/dbraw/zinc/10/93/99/277109399.db2.gz IOHBUCPDHJUXGN-QGZVFWFLSA-N 0 3 344.459 0.979 40 0 ECABHN CN(C)CCOC[C@H]1Cn2nccc2CN(C(=O)c2cnccn2)C1 ZINC000096188981 289170823 /nfs/dbraw/zinc/17/08/23/289170823.db2.gz WDVSQDWVTSZAOJ-CQSZACIVSA-N 0 3 344.419 0.524 40 0 ECABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCOCC1 ZINC000096206910 436523212 /nfs/dbraw/zinc/52/32/12/436523212.db2.gz LETWCDKFYZSAFH-QAPCUYQASA-N 0 3 331.416 0.779 40 0 ECABHN CN(C)CCN1CCOC[C@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049775 436506200 /nfs/dbraw/zinc/50/62/00/436506200.db2.gz HBFOALUOMROWGV-MRXNPFEDSA-N 0 3 340.493 0.608 40 0 ECABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096108397 436512892 /nfs/dbraw/zinc/51/28/92/436512892.db2.gz FPIBDAKZEUODIS-KDOFPFPSSA-N 0 3 348.399 0.626 40 0 ECABHN N[C@@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)C1 ZINC000096530690 436534588 /nfs/dbraw/zinc/53/45/88/436534588.db2.gz FIOLBRKZVHZYTE-GFCCVEGCSA-N 0 3 328.351 0.616 40 0 ECABHN Cn1cncc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000108527469 436619129 /nfs/dbraw/zinc/61/91/29/436619129.db2.gz QAQXJHHWJQSDKQ-CYBMUJFWSA-N 0 3 342.465 0.483 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000257301703 436866318 /nfs/dbraw/zinc/86/63/18/436866318.db2.gz RZMXQUHUDCKQSI-LBPRGKRZSA-N 0 3 325.359 0.644 40 0 ECABHN C[C@@H]1CN(Cc2nccs2)C[C@]12CCN(CC(=O)N(C)C)C2=O ZINC000306125752 437165229 /nfs/dbraw/zinc/16/52/29/437165229.db2.gz DBENZVSJTSBAHE-MLGOLLRUSA-N 0 3 336.461 0.902 40 0 ECABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(C)C2)cs1 ZINC000306140950 437168153 /nfs/dbraw/zinc/16/81/53/437168153.db2.gz VHMLEAXJHLYCJE-OAHLLOKOSA-N 0 3 333.417 0.195 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000585182335 439636084 /nfs/dbraw/zinc/63/60/84/439636084.db2.gz PVOUQJVAMACBCB-AWEZNQCLSA-N 0 3 343.431 0.563 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)Cn2c(C)nc3ccccc32)C1 ZINC000257206621 536399075 /nfs/dbraw/zinc/39/90/75/536399075.db2.gz BEGQJZYHYXELFL-AWEZNQCLSA-N 0 3 343.431 0.481 40 0 ECABHN CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)C1(CN)CN ZINC000218192184 545920427 /nfs/dbraw/zinc/92/04/27/545920427.db2.gz IDFMGVMICDREKX-QWRGUYRKSA-N 0 3 333.251 0.863 40 0 ECABHN COc1cc(CNCCCO)c(Br)cc1OCC(N)=O ZINC000036612915 213101473 /nfs/dbraw/zinc/10/14/73/213101473.db2.gz AOXIMMXCTQOGNF-UHFFFAOYSA-N 0 3 347.209 0.794 40 0 ECABHN CC1(C)O[C@H]2O[C@H](CN3CCN[C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1 ZINC000022115789 212277890 /nfs/dbraw/zinc/27/78/90/212277890.db2.gz BSMLOGYQCJGNEB-NQNKBUKLSA-N 0 3 334.416 0.870 40 0 ECABHN COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257203262 244125813 /nfs/dbraw/zinc/12/58/13/244125813.db2.gz APGLUANJBHOBDS-WCVJEAGWSA-N 0 3 335.404 0.709 40 0 ECABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2ccnc2)C1 ZINC000257215992 244166672 /nfs/dbraw/zinc/16/66/72/244166672.db2.gz CSPCMZSHWSPJQQ-GOSISDBHSA-N 0 3 343.431 0.764 40 0 ECABHN CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)N1CCCC1)CC2 ZINC000019711547 212057659 /nfs/dbraw/zinc/05/76/59/212057659.db2.gz NORXZXSSBGVILI-OAHLLOKOSA-N 0 3 344.463 0.923 40 0 ECABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096040833 218523675 /nfs/dbraw/zinc/52/36/75/218523675.db2.gz ZJLQNJGCDMNNHB-ZACQAIPSSA-N 0 3 333.432 0.929 40 0 ECABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cccn3C)C2)CC1 ZINC000257309376 275478476 /nfs/dbraw/zinc/47/84/76/275478476.db2.gz UARSTTGFNAHRCF-SFHVURJKSA-N 0 3 348.447 0.203 40 0 ECABHN CN(C)C(=O)COC[C@@H]1Cn2nccc2CN(CCN2CCCC2)C1 ZINC000096189078 436521142 /nfs/dbraw/zinc/52/11/42/436521142.db2.gz JZPACRUQNYXMFD-INIZCTEOSA-N 0 3 349.479 0.516 40 0 ECABHN Cn1cc(C(=O)N[C@@H]2CN(CC3CCOCC3)[C@@H]3CCCO[C@H]23)cn1 ZINC000096056346 436506678 /nfs/dbraw/zinc/50/66/78/436506678.db2.gz JLLYPZIJNNHDNW-BRWVUGGUSA-N 0 3 348.447 0.808 40 0 ECABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096047820 436507285 /nfs/dbraw/zinc/50/72/85/436507285.db2.gz WBNBOPDUODZNNV-HNNXBMFYSA-N 0 3 336.436 0.648 40 0 ECABHN Cn1cccc1C(=O)N1C[C@H]2CN(CCN3CCCC3)C(=O)[C@H]2C1 ZINC000096245059 436527159 /nfs/dbraw/zinc/52/71/59/436527159.db2.gz QFPASIXRWAOKQS-CABCVRRESA-N 0 3 330.432 0.651 40 0 ECABHN O=C(CN1CCCCCC1)N1CC[C@](O)(CN2CCOCC2)C1 ZINC000257306195 436867886 /nfs/dbraw/zinc/86/78/86/436867886.db2.gz STGIXIQFXHXQLW-KRWDZBQOSA-N 0 3 325.453 0.158 40 0 ECABHN CN(C)CCNc1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000257308320 436867978 /nfs/dbraw/zinc/86/79/78/436867978.db2.gz TWHSBPFAAISMOA-ZDUSSCGKSA-N 0 3 326.466 0.879 40 0 ECABHN COc1cccc(S(=O)(=O)N2CC[C@](O)(CN3CCCC3)C2)c1 ZINC000257306543 436868894 /nfs/dbraw/zinc/86/88/94/436868894.db2.gz SURUDXNCSOIGEP-INIZCTEOSA-N 0 3 340.445 0.917 40 0 ECABHN Cn1nc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cc1C(F)(F)F ZINC000257321652 436870354 /nfs/dbraw/zinc/87/03/54/436870354.db2.gz WCOUCQFWCZNYOR-GHMZBOCLSA-N 0 3 332.326 0.720 40 0 ECABHN CC(C)NC(=O)C1(CCCc2cnccn2)CCN(C(=O)CN)CC1 ZINC000257342168 436875426 /nfs/dbraw/zinc/87/54/26/436875426.db2.gz ZNKDHITZYVPLTG-UHFFFAOYSA-N 0 3 347.463 0.891 40 0 ECABHN Cc1ccc(C)c(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000575420857 438748189 /nfs/dbraw/zinc/74/81/89/438748189.db2.gz FSEFGODCFCXRRH-CYBMUJFWSA-N 0 3 346.474 0.440 40 0 ECABHN Cc1ccc(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000575424378 438749709 /nfs/dbraw/zinc/74/97/09/438749709.db2.gz KTZQQNUHPQARAN-CYBMUJFWSA-N 0 3 346.474 0.440 40 0 ECABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)Oc2ncccc2C(=O)N3C)CC1 ZINC000514289688 438812457 /nfs/dbraw/zinc/81/24/57/438812457.db2.gz NMIPRCZDTNIHHB-CVEARBPZSA-N 0 3 344.415 0.610 40 0 biogenic,in-vitro ECABHN C[C@H](N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012144253 524819455 /nfs/dbraw/zinc/81/94/55/524819455.db2.gz WCXOOIKAGWRFDY-ZDUSSCGKSA-N 0 3 343.431 0.881 40 0 ECABHN CN(C)CCOC[C@@H]1CN(C(=O)c2ccncc2)Cc2nnn(C)c21 ZINC000096068818 282108703 /nfs/dbraw/zinc/10/87/03/282108703.db2.gz UFBXACUJBVRQPJ-AWEZNQCLSA-N 0 3 344.419 0.528 40 0 ECABHN CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 ZINC000257241250 244244788 /nfs/dbraw/zinc/24/47/88/244244788.db2.gz HXHZUWYCQMLQRZ-CQSZACIVSA-N 0 3 341.415 0.929 40 0 ECABHN O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(CCN3CCCC3)C2=O)C1 ZINC000096224264 304354081 /nfs/dbraw/zinc/35/40/81/304354081.db2.gz ZFAHRDOLYBLJPI-VQIMIIECSA-N 0 3 349.475 0.960 40 0 ECABHN CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCOC3)C2)CC1 ZINC000096188536 290045968 /nfs/dbraw/zinc/04/59/68/290045968.db2.gz GLEVNPSKTIISFW-IRXDYDNUSA-N 0 3 333.480 0.599 40 0 ECABHN COc1ccc(N([C@@H](C)C(=O)NCCN(C)C)S(C)(=O)=O)cc1 ZINC000013668566 436065714 /nfs/dbraw/zinc/06/57/14/436065714.db2.gz PUYGGJFPJMBWQK-LBPRGKRZSA-N 0 3 343.449 0.528 40 0 ECABHN CN(C)CCN1CCN(C(=O)N2CCOCC2)Cc2cccnc21 ZINC000096198842 436521922 /nfs/dbraw/zinc/52/19/22/436521922.db2.gz AZAAPBRBPCJYED-UHFFFAOYSA-N 0 3 333.436 0.717 40 0 ECABHN O=C(c1ccnnc1)N1C[C@H](OCCN2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096100059 436511721 /nfs/dbraw/zinc/51/17/21/436511721.db2.gz JNHHMNANDQRSOG-IKGGRYGDSA-N 0 3 346.431 0.961 40 0 ECABHN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN([C@@H]3CCOC3)CC2)O1 ZINC000096243667 436525855 /nfs/dbraw/zinc/52/58/55/436525855.db2.gz QICGVQNMWBMJQI-CABCVRRESA-N 0 3 348.447 0.887 40 0 ECABHN Cc1nc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)c[nH]1 ZINC000108525590 436619546 /nfs/dbraw/zinc/61/95/46/436619546.db2.gz XIBREDLHIACVHL-ZDUSSCGKSA-N 0 3 342.465 0.781 40 0 ECABHN Cc1ncc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)[nH]1 ZINC000108525590 436619548 /nfs/dbraw/zinc/61/95/48/436619548.db2.gz XIBREDLHIACVHL-ZDUSSCGKSA-N 0 3 342.465 0.781 40 0 ECABHN CN(C)CCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000222989008 436704297 /nfs/dbraw/zinc/70/42/97/436704297.db2.gz PNWLJDJTIHJUQD-UHFFFAOYSA-N 0 3 329.422 0.139 40 0 ECABHN O=C(c1ccc(-n2cccn2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257222150 436858901 /nfs/dbraw/zinc/85/89/01/436858901.db2.gz DSDKYLWCDCGOGZ-HUUCEWRRSA-N 0 3 327.388 0.548 40 0 ECABHN CNC(=O)[C@@]1(C)CN(C(=O)CCN(C)Cc2cccnc2)CCO1 ZINC000257294703 436864293 /nfs/dbraw/zinc/86/42/93/436864293.db2.gz QVHXMZIULKLXOB-QGZVFWFLSA-N 0 3 334.420 0.267 40 0 ECABHN CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CN(C)C1CCCC1 ZINC000257308576 436867683 /nfs/dbraw/zinc/86/76/83/436867683.db2.gz TXGTYKBWXQMCJB-GOSISDBHSA-N 0 3 347.463 0.751 40 0 ECABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NCc2nccn2C)[C@H]1O ZINC000514289208 438812560 /nfs/dbraw/zinc/81/25/60/438812560.db2.gz ZSUPZPYQXAHUDB-JENIJYKNSA-N 0 3 344.459 0.813 40 0 biogenic,in-vitro ECABHN CCN(CC)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O ZINC000514288878 438813009 /nfs/dbraw/zinc/81/30/09/438813009.db2.gz KYFKEZNQJQWUDO-SOUVJXGZSA-N 0 3 328.434 0.435 40 0 biogenic,in-vitro ECABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(F)c1 ZINC000585108477 439631379 /nfs/dbraw/zinc/63/13/79/439631379.db2.gz SYSOMVFEJVFBJA-ZIAGYGMSSA-N 0 3 334.395 0.988 40 0 ECABHN CO[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1CC(=O)N1CCOCC1 ZINC000585274659 439636597 /nfs/dbraw/zinc/63/65/97/439636597.db2.gz LVRRJMHGIOHFLU-HZPDHXFCSA-N 0 3 336.436 0.506 40 0 ECABHN CC(=O)N[C@H]1CC2(CCN(Cc3c[nH]nc3C)CC2)OC[C@]1(C)O ZINC000257239462 534650501 /nfs/dbraw/zinc/65/05/01/534650501.db2.gz HPIUGIRNOWQSDT-HOTGVXAUSA-N 0 3 336.436 0.729 40 0 ECABHN CNC(=O)[C@H]1CN(C)CCN(C(=O)CCN2CCc3ccccc32)C1 ZINC000257218268 536398482 /nfs/dbraw/zinc/39/84/82/536398482.db2.gz DCLVLIUUONNDNK-INIZCTEOSA-N 0 3 344.459 0.575 40 0 ECABHN CN1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C[C@H](C(N)=O)C1 ZINC000257240335 244241300 /nfs/dbraw/zinc/24/13/00/244241300.db2.gz HTBIROQSQGYFHJ-QGZVFWFLSA-N 0 3 329.444 0.983 40 0 ECABHN NCc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000257259228 244291602 /nfs/dbraw/zinc/29/16/02/244291602.db2.gz KXKBULAFCFKSLU-UHFFFAOYSA-N 0 3 327.388 0.669 40 0 ECABHN CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2nc(C(C)C)no2)C1 ZINC000257272613 244383842 /nfs/dbraw/zinc/38/38/42/244383842.db2.gz NDCBCASILUXYRH-GFCCVEGCSA-N 0 3 337.424 0.262 40 0 ECABHN Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O ZINC000257274157 244386415 /nfs/dbraw/zinc/38/64/15/244386415.db2.gz NJUGXGCSINEAFP-UMVBOHGHSA-N 0 3 342.465 0.337 40 0 ECABHN O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NC1CC1 ZINC000012603965 436053853 /nfs/dbraw/zinc/05/38/53/436053853.db2.gz PNHQRQMWFMNVTM-HDEZJCGLSA-N 0 3 338.379 0.073 40 0 biogenic,in-vitro ECABHN COc1ccccc1N(CC(=O)NCCN(C)C)S(C)(=O)=O ZINC000013676182 436065295 /nfs/dbraw/zinc/06/52/95/436065295.db2.gz FRNWXWCEZNJGRU-UHFFFAOYSA-N 0 3 329.422 0.139 40 0 ECABHN CCc1ccc(CN2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)o1 ZINC000096185731 436519789 /nfs/dbraw/zinc/51/97/89/436519789.db2.gz IWSSTIDCLHIMHN-DFBGVHRSSA-N 0 3 328.434 0.838 40 0 ECABHN CN(C)CCOC[C@@H]1CN(Cc2ccncc2)Cc2nnn(C)c21 ZINC000096060677 436508403 /nfs/dbraw/zinc/50/84/03/436508403.db2.gz HLHIEIYQUOEJFM-HNNXBMFYSA-N 0 3 330.436 0.888 40 0 ECABHN Cn1cc(CNC[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cn1 ZINC000096061010 436508621 /nfs/dbraw/zinc/50/86/21/436508621.db2.gz YLYGWYBNNRIBGP-CYBMUJFWSA-N 0 3 328.380 0.101 40 0 ECABHN CN(C)CCOCc1nnn2c1CN(C(=O)c1ccco1)CCC2 ZINC000096058831 436509072 /nfs/dbraw/zinc/50/90/72/436509072.db2.gz VTAZHSYQIWFZEE-UHFFFAOYSA-N 0 3 333.392 0.995 40 0 ECABHN COCCN1CCO[C@@H]2CN(C(=O)Cc3ccccn3)CC[C@@H]2C1 ZINC000096249610 436528005 /nfs/dbraw/zinc/52/80/05/436528005.db2.gz JQYWCQPJILVYQW-NVXWUHKLSA-N 0 3 333.432 0.820 40 0 ECABHN CN1CCN(C[C@@]2(O)CCN(C(=O)CN3CCCCCC3)C2)CC1 ZINC000257294232 436863418 /nfs/dbraw/zinc/86/34/18/436863418.db2.gz QTDIKDJPKSMSQO-SFHVURJKSA-N 0 3 338.496 0.073 40 0 ECABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)s1 ZINC000306127168 437164597 /nfs/dbraw/zinc/16/45/97/437164597.db2.gz FQHTVEZUQTXDLE-MRXNPFEDSA-N 0 3 348.428 0.487 40 0 ECABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cnn(C)c3)C[C@@H]1C2 ZINC000306136086 437167038 /nfs/dbraw/zinc/16/70/38/437167038.db2.gz PISBSNXNUBZQMM-KBPBESRZSA-N 0 3 343.435 0.454 40 0 ECABHN COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)NC2CCC2)[C@H]1O ZINC000514289111 438813262 /nfs/dbraw/zinc/81/32/62/438813262.db2.gz TVYNRLFYQBXWHU-CBBWQLFWSA-N 0 3 327.425 0.077 40 0 biogenic,in-vitro ECABHN Cc1cc(CN2CC3(C2)C[C@@H](COCC(=O)N(C)C)CN3C)n(C)n1 ZINC000585093801 439627781 /nfs/dbraw/zinc/62/77/81/439627781.db2.gz GLUOBIMGPSLOTN-OAHLLOKOSA-N 0 3 349.479 0.339 40 0 ECABHN