smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C1(CN)C[NH3+] ZINC000218192108 241303428 /nfs/dbraw/zinc/30/34/28/241303428.db2.gz IDFMGVMICDREKX-WDEREUQCSA-N 1 1 333.251 0.863 40 0 ECABMO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257200675 244117116 /nfs/dbraw/zinc/11/71/16/244117116.db2.gz AELIGDAKUMEXAV-ZIAGYGMSSA-N 1 1 342.390 0.872 40 0 ECABMO C[N@@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H](C(N)=O)C1 ZINC000257200801 244118550 /nfs/dbraw/zinc/11/85/50/244118550.db2.gz AEZCBHDARKMJLE-LLVKDONJSA-N 1 1 329.356 0.282 40 0 ECABMO C[N@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H](C(N)=O)C1 ZINC000257200801 244118554 /nfs/dbraw/zinc/11/85/54/244118554.db2.gz AEZCBHDARKMJLE-LLVKDONJSA-N 1 1 329.356 0.282 40 0 ECABMO Cn1c(=O)cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)n(C)c1=O ZINC000257209197 244144624 /nfs/dbraw/zinc/14/46/24/244144624.db2.gz BPIYUGDTRXDCHG-HNNXBMFYSA-N 1 1 342.399 0.213 40 0 ECABMO Cn1c(=O)cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)n(C)c1=O ZINC000257209197 244144628 /nfs/dbraw/zinc/14/46/28/244144628.db2.gz BPIYUGDTRXDCHG-HNNXBMFYSA-N 1 1 342.399 0.213 40 0 ECABMO Cc1nc2cc(C(=O)N3CC[C@@](O)(C[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000257221540 244186331 /nfs/dbraw/zinc/18/63/31/244186331.db2.gz DPMWREPUECMQMQ-GOSISDBHSA-N 1 1 344.415 0.781 40 0 ECABMO CNc1cc(CC[C@H]2CN(S(=O)(=O)N(C)C)CCO2)cc[nH+]1 ZINC000257222048 244188126 /nfs/dbraw/zinc/18/81/26/244188126.db2.gz DRRDDSOOMBFPDG-ZDUSSCGKSA-N 1 1 328.438 0.563 40 0 ECABMO CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1 ZINC000257236903 244233012 /nfs/dbraw/zinc/23/30/12/244233012.db2.gz HEHBQCLKQWBPED-HZPDHXFCSA-N 1 1 330.388 0.784 40 0 ECABMO CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1 ZINC000257236903 244233017 /nfs/dbraw/zinc/23/30/17/244233017.db2.gz HEHBQCLKQWBPED-HZPDHXFCSA-N 1 1 330.388 0.784 40 0 ECABMO Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c(O)c1 ZINC000257260520 244347728 /nfs/dbraw/zinc/34/77/28/244347728.db2.gz LDFOIFVCSMSIDV-BFYDXBDKSA-N 1 1 334.416 0.997 40 0 ECABMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000019720266 212056636 /nfs/dbraw/zinc/05/66/36/212056636.db2.gz DYGNQCKQAYURAH-ZDUSSCGKSA-N 1 1 325.434 0.436 40 0 ECABMO COc1cccc(-c2nc3n(n2)CC[N@H+](CC(=O)N(C)C)CC3)c1 ZINC000306137204 257923557 /nfs/dbraw/zinc/92/35/57/257923557.db2.gz QOVHVYGVKKCVOZ-UHFFFAOYSA-N 1 1 329.404 0.900 40 0 ECABMO COc1cccc(-c2nc3n(n2)CC[N@@H+](CC(=O)N(C)C)CC3)c1 ZINC000306137204 257923558 /nfs/dbraw/zinc/92/35/58/257923558.db2.gz QOVHVYGVKKCVOZ-UHFFFAOYSA-N 1 1 329.404 0.900 40 0 ECABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cn2cnnc2[nH]c1=O ZINC000257213752 277045341 /nfs/dbraw/zinc/04/53/41/277045341.db2.gz CIYMIMJPKZYHMB-CHWSQXEVSA-N 1 1 330.392 0.919 40 0 ECABMO CC(C)c1ccc(C(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000257220000 280596299 /nfs/dbraw/zinc/59/62/99/280596299.db2.gz DJDVKYUVVYERJC-GOSISDBHSA-N 1 1 349.431 0.820 40 0 ECABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000004981496 435983937 /nfs/dbraw/zinc/98/39/37/435983937.db2.gz XZOHEMOCOXPGLY-UHFFFAOYSA-N 1 1 345.443 0.973 40 0 ECABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 ZINC000006953352 436004943 /nfs/dbraw/zinc/00/49/43/436004943.db2.gz NTIVTHZVKGRPBW-UHFFFAOYSA-N 1 1 343.424 0.756 40 0 ECABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@@H]2N1C(C)=O ZINC000096182736 436520161 /nfs/dbraw/zinc/52/01/61/436520161.db2.gz PVEGYQYPBXYHLM-KFWWJZLASA-N 1 1 332.404 0.257 40 0 ECABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@@H]2N1C(C)=O ZINC000096182736 436520162 /nfs/dbraw/zinc/52/01/62/436520162.db2.gz PVEGYQYPBXYHLM-KFWWJZLASA-N 1 1 332.404 0.257 40 0 ECABMO C[N@H+](Cc1ccco1)C[C@@H]1Cn2ccnc2CN(S(C)(=O)=O)C1 ZINC000096188692 436520367 /nfs/dbraw/zinc/52/03/67/436520367.db2.gz IOUIEIVUILDTEE-CYBMUJFWSA-N 1 1 338.433 1.000 40 0 ECABMO CCOc1ccc([C@H]([NH3+])c2nc(Cn3cncn3)n[nH]2)cc1OC ZINC000095534256 436499659 /nfs/dbraw/zinc/49/96/59/436499659.db2.gz UTXQHHLYYLYOOW-AWEZNQCLSA-N 1 1 329.364 0.900 40 0 ECABMO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@@H]21 ZINC000096043432 436504951 /nfs/dbraw/zinc/50/49/51/436504951.db2.gz AOXIVHKLBOORNA-BZUAXINKSA-N 1 1 337.420 0.973 40 0 ECABMO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@@H]21 ZINC000096043432 436504956 /nfs/dbraw/zinc/50/49/56/436504956.db2.gz AOXIVHKLBOORNA-BZUAXINKSA-N 1 1 337.420 0.973 40 0 ECABMO CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccccn3)O2)CC1 ZINC000096057347 436506013 /nfs/dbraw/zinc/50/60/13/436506013.db2.gz IDVCJYXCWLSQLR-KURKYZTESA-N 1 1 344.459 0.978 40 0 ECABMO Cn1ccc(C(=O)N2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)n1 ZINC000096224767 436524326 /nfs/dbraw/zinc/52/43/26/436524326.db2.gz GTHCEYPWDQPYII-CQSZACIVSA-N 1 1 334.420 0.516 40 0 ECABMO Cc1nc(CN2CCOC[C@@]3(C[N@H+](CCO)CCO3)C2)cs1 ZINC000096229557 436527293 /nfs/dbraw/zinc/52/72/93/436527293.db2.gz KPDFVEMJLZHHKT-OAHLLOKOSA-N 1 1 327.450 0.347 40 0 ECABMO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](CCO)CCO3)C2)cs1 ZINC000096229557 436527296 /nfs/dbraw/zinc/52/72/96/436527296.db2.gz KPDFVEMJLZHHKT-OAHLLOKOSA-N 1 1 327.450 0.347 40 0 ECABMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cccnc3)CC[C@@H]21 ZINC000096249286 436528916 /nfs/dbraw/zinc/52/89/16/436528916.db2.gz JZHCVLQGJRSLPJ-IRXDYDNUSA-N 1 1 333.432 0.962 40 0 ECABMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cccnc3)CC[C@@H]21 ZINC000096249286 436528918 /nfs/dbraw/zinc/52/89/18/436528918.db2.gz JZHCVLQGJRSLPJ-IRXDYDNUSA-N 1 1 333.432 0.962 40 0 ECABMO C[NH+]1CCN(c2nc(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc(=O)[nH]2)CC1 ZINC000248121786 436800254 /nfs/dbraw/zinc/80/02/54/436800254.db2.gz KJVNTFGWZMDDQP-FOLVSLTJSA-N 1 1 345.447 0.986 40 0 ECABMO CC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O ZINC000257238494 436858817 /nfs/dbraw/zinc/85/88/17/436858817.db2.gz HLFHKDKTYKWMPT-DJIMGWMZSA-N 1 1 340.395 0.467 40 0 ECABMO C[N@H+]1CCN(C(=O)CCN2CCc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257283998 436861893 /nfs/dbraw/zinc/86/18/93/436861893.db2.gz PAUWPDPEKITQHE-HNNXBMFYSA-N 1 1 330.432 0.315 40 0 ECABMO Cc1nc(N)cc([C@H]2CCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257292271 436863753 /nfs/dbraw/zinc/86/37/53/436863753.db2.gz QKSREEFUDGVDEN-CQSZACIVSA-N 1 1 339.465 0.928 40 0 ECABMO Cc1cnccc1C[N@H+]1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1 ZINC000257289556 436864819 /nfs/dbraw/zinc/86/48/19/436864819.db2.gz PZDUIYRQWUWXTB-NVXWUHKLSA-N 1 1 346.387 0.106 40 0 ECABMO C[NH+]1CCN([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)C[C@H]2O)CC1 ZINC000257303617 436866552 /nfs/dbraw/zinc/86/65/52/436866552.db2.gz SHYHRIKCVSHYQL-IAGOWNOFSA-N 1 1 347.434 0.676 40 0 ECABMO Cc1cccc(C)c1C[N@H+]1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1 ZINC000257297887 436867170 /nfs/dbraw/zinc/86/71/70/436867170.db2.gz RJFCPZKPBMQMRF-AWEZNQCLSA-N 1 1 339.461 0.482 40 0 ECABMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000257308932 436867964 /nfs/dbraw/zinc/86/79/64/436867964.db2.gz TYUFYKOHIGXUPR-HOTGVXAUSA-N 1 1 329.400 0.903 40 0 ECABMO C[N@@H+](CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1)C1CCCC1 ZINC000257329367 436871956 /nfs/dbraw/zinc/87/19/56/436871956.db2.gz XJRJLZWCEJFBNV-QGZVFWFLSA-N 1 1 333.436 0.408 40 0 ECABMO C[N@H+]1CCN(C(=O)Cc2c(F)cccc2Cl)C[C@@H](C(N)=O)C1 ZINC000257327845 436872538 /nfs/dbraw/zinc/87/25/38/436872538.db2.gz XCZZKUBMKBVEFP-JTQLQIEISA-N 1 1 327.787 0.897 40 0 ECABMO O=C(C[N@H+]1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1)N1CCCC1 ZINC000306127508 437165148 /nfs/dbraw/zinc/16/51/48/437165148.db2.gz GAJMLIIZTKPECX-RRFJBIMHSA-N 1 1 331.420 0.458 40 0 ECABMO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306126569 437165864 /nfs/dbraw/zinc/16/58/64/437165864.db2.gz DZCVFYQEMCLMAB-KGLIPLIRSA-N 1 1 338.415 0.870 40 0 ECABMO OCCC[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290332 438813285 /nfs/dbraw/zinc/81/32/85/438813285.db2.gz XLYWOOZQUNOQJD-RBUKOAKNSA-N 1 1 345.487 0.417 40 0 biogenic,in-vitro ECABMO OCCCN1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1 ZINC000514290332 438813293 /nfs/dbraw/zinc/81/32/93/438813293.db2.gz XLYWOOZQUNOQJD-RBUKOAKNSA-N 1 1 345.487 0.417 40 0 biogenic,in-vitro ECABMO CC(C)(C)C[NH+]1CC2(C1)CN(S(C)(=O)=O)C[C@@H]1COCCN12 ZINC000604382343 439313180 /nfs/dbraw/zinc/31/31/80/439313180.db2.gz ORTDRDKLNGXWJO-CYBMUJFWSA-N 1 1 331.482 0.063 40 0 biogenic,in-vitro ECABMO CCCc1nnsc1C(=O)N1CC[N@H+](C)C[C@@H](C(=O)NC)C1 ZINC000585182328 439636177 /nfs/dbraw/zinc/63/61/77/439636177.db2.gz MAIRBQALLJWQTA-SNVBAGLBSA-N 1 1 325.438 0.240 40 0 ECABMO CCCc1nnsc1C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)NC)C1 ZINC000585182328 439636180 /nfs/dbraw/zinc/63/61/80/439636180.db2.gz MAIRBQALLJWQTA-SNVBAGLBSA-N 1 1 325.438 0.240 40 0 ECABMO CO[C@H]1CCC[N@@H+](CC2(O)CCOCC2)[C@H]1CCC(=O)N(C)C ZINC000585276252 439636538 /nfs/dbraw/zinc/63/65/38/439636538.db2.gz FGKVRXZCJYRUDE-GJZGRUSLSA-N 1 1 328.453 0.876 40 0 ECABMO CNC(=O)C[C@]1(O)COCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000585280229 439639214 /nfs/dbraw/zinc/63/92/14/439639214.db2.gz DEUXZSUQAYCNKD-GOSISDBHSA-N 1 1 329.400 0.934 40 0 ECABMO CCC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288257 439641678 /nfs/dbraw/zinc/64/16/78/439641678.db2.gz SKYXJXVLTMCGLA-INMHGKMJSA-N 1 1 340.395 0.275 40 0 ECABMO CCC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585288257 439641680 /nfs/dbraw/zinc/64/16/80/439641680.db2.gz SKYXJXVLTMCGLA-INMHGKMJSA-N 1 1 340.395 0.275 40 0 ECABMO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585290495 439642093 /nfs/dbraw/zinc/64/20/93/439642093.db2.gz XENUDIUBXHGJOT-XDIASTCQSA-N 1 1 325.453 0.225 40 0 ECABMO Cc1c(C[N@@H+]2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cnn1C ZINC000019745780 202018516 /nfs/dbraw/zinc/01/85/16/202018516.db2.gz JZFLEAGTKWCXOD-HNNXBMFYSA-N 1 1 343.497 0.869 40 0 ECABMO Cc1ccn(C[C@@H](C)C(=O)N2CC(C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000019748717 202019100 /nfs/dbraw/zinc/01/91/00/202019100.db2.gz NFCLFCAWLUWCDM-CYBMUJFWSA-N 1 1 333.436 0.060 40 0 ECABMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000068050564 202202311 /nfs/dbraw/zinc/20/23/11/202202311.db2.gz OJEYBLPSWYUOIW-NSHDSACASA-N 1 1 345.852 0.781 40 0 ECABMO NC(=O)[C@H]1CN(C2CCOCC2)CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000257289805 283326823 /nfs/dbraw/zinc/32/68/23/283326823.db2.gz QAGNWDPMEIWBQR-OAHLLOKOSA-N 1 1 339.480 0.580 40 0 ECABMO NC(=O)[C@@H]1CN(CC2(O)CCCCC2)CC[N@@H+](C2CCOCC2)C1 ZINC000257289805 283326824 /nfs/dbraw/zinc/32/68/24/283326824.db2.gz QAGNWDPMEIWBQR-OAHLLOKOSA-N 1 1 339.480 0.580 40 0 ECABMO NC(=O)[C@@H]1CN(CC2(O)CCCCC2)CC[N@H+](C2CCOCC2)C1 ZINC000257289805 283326825 /nfs/dbraw/zinc/32/68/25/283326825.db2.gz QAGNWDPMEIWBQR-OAHLLOKOSA-N 1 1 339.480 0.580 40 0 ECABMO O=C(CCc1cc(Cl)no1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257206010 244132545 /nfs/dbraw/zinc/13/25/45/244132545.db2.gz BBMOSLZIZVGHTJ-OAHLLOKOSA-N 1 1 343.811 0.556 40 0 ECABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1NC(=O)Cn1c(C)nc2ccccc21 ZINC000257203493 244128075 /nfs/dbraw/zinc/12/80/75/244128075.db2.gz AQIHBNADZDWPHG-OCCSQVGLSA-N 1 1 329.404 0.137 40 0 ECABMO O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257244697 244252271 /nfs/dbraw/zinc/25/22/71/244252271.db2.gz IMKLEQSNPBQMAX-OAHLLOKOSA-N 1 1 341.795 0.350 40 0 ECABMO CN(C)c1cnc(C[C@H]2COCC[N@H+](Cc3cncn3C)C2)cn1 ZINC000072388217 203212508 /nfs/dbraw/zinc/21/25/08/203212508.db2.gz BIBGNNALDCDMFA-CQSZACIVSA-N 1 1 330.436 0.967 40 0 ECABMO CN(C)c1cnc(C[C@H]2COCC[N@@H+](Cc3cncn3C)C2)cn1 ZINC000072388217 203212511 /nfs/dbraw/zinc/21/25/11/203212511.db2.gz BIBGNNALDCDMFA-CQSZACIVSA-N 1 1 330.436 0.967 40 0 ECABMO CN(C)C(=O)[C@H]1CN(Cc2ncc[nH]2)CC[N@H+](C2CCOCC2)C1 ZINC000257246794 244258767 /nfs/dbraw/zinc/25/87/67/244258767.db2.gz IVWBMLALXMBTEP-AWEZNQCLSA-N 1 1 335.452 0.411 40 0 ECABMO Cc1cccc(N2CCC[C@@H](NC(=O)Cn3cccnc3=O)C2)[nH+]1 ZINC000257259639 244293316 /nfs/dbraw/zinc/29/33/16/244293316.db2.gz KZHIOWRWTPIVSM-CQSZACIVSA-N 1 1 327.388 0.732 40 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/nfs/dbraw/zinc/10/90/82/436109082.db2.gz WRKLBVQWGPOSDP-INIZCTEOSA-N 1 1 330.436 0.965 40 0 ECABMO C[N@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)Cn1nc(C(F)(F)F)nc1N ZINC000019712536 436109298 /nfs/dbraw/zinc/10/92/98/436109298.db2.gz VJJYMPQBOMYDBD-NXEZZACHSA-N 1 1 346.357 0.964 40 0 ECABMO COc1ccccc1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000023973058 436129828 /nfs/dbraw/zinc/12/98/28/436129828.db2.gz BPONWAXAPPEDMR-UHFFFAOYSA-N 1 1 335.404 0.150 40 0 ECABMO COCCC(=O)N1CCOC[C@]2(CC[N@H+](Cc3nccn3C)C2)C1 ZINC000096202086 436523002 /nfs/dbraw/zinc/52/30/02/436523002.db2.gz MPCHIWJMMXRTDX-KRWDZBQOSA-N 1 1 336.436 0.508 40 0 ECABMO COCCC(=O)N1CCOC[C@]2(CC[N@@H+](Cc3nccn3C)C2)C1 ZINC000096202086 436523005 /nfs/dbraw/zinc/52/30/05/436523005.db2.gz MPCHIWJMMXRTDX-KRWDZBQOSA-N 1 1 336.436 0.508 40 0 ECABMO Cc1cnc(N2C[C@H]3C[C@H](C(=O)N4CCN(C)CC4)[N@H+](C)[C@H]3C2)nc1 ZINC000096182590 436519053 /nfs/dbraw/zinc/51/90/53/436519053.db2.gz FGAQFFFYKVUWMB-OAGGEKHMSA-N 1 1 344.463 0.068 40 0 ECABMO Cn1cc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)cn1 ZINC000096187243 436520185 /nfs/dbraw/zinc/52/01/85/436520185.db2.gz UYCITWDVPXRKBD-BZUAXINKSA-N 1 1 334.420 0.401 40 0 ECABMO C[N@H+](Cc1ccco1)C[C@H]1Cn2ccnc2CN(S(C)(=O)=O)C1 ZINC000096188693 436521319 /nfs/dbraw/zinc/52/13/19/436521319.db2.gz IOUIEIVUILDTEE-ZDUSSCGKSA-N 1 1 338.433 1.000 40 0 ECABMO COCCNC(=O)C[C@@H]1COC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000096057191 436506740 /nfs/dbraw/zinc/50/67/40/436506740.db2.gz OAYLXLNHVBXAKH-MCIONIFRSA-N 1 1 339.461 0.990 40 0 ECABMO Cn1cc(C[N@@H+]2CCc3c(CNS(C)(=O)=O)cncc3C2)cn1 ZINC000096067412 436509500 /nfs/dbraw/zinc/50/95/00/436509500.db2.gz AFXPHJNLKMVSHZ-UHFFFAOYSA-N 1 1 335.433 0.423 40 0 ECABMO Cn1cc(C[N@H+]2CCc3c(CNS(C)(=O)=O)cncc3C2)cn1 ZINC000096067412 436509505 /nfs/dbraw/zinc/50/95/05/436509505.db2.gz AFXPHJNLKMVSHZ-UHFFFAOYSA-N 1 1 335.433 0.423 40 0 ECABMO Cn1cccc1C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2CC1CC1 ZINC000096077187 436509821 /nfs/dbraw/zinc/50/98/21/436509821.db2.gz FUEQUGSWPLINQT-UHFFFAOYSA-N 1 1 330.432 0.842 40 0 ECABMO O=C(CC1(O)CCCCC1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257287741 436861707 /nfs/dbraw/zinc/86/17/07/436861707.db2.gz PRHUSCNAVYLVCR-QGZVFWFLSA-N 1 1 326.437 0.367 40 0 ECABMO Cc1cn([C@H]2CC[N@@H+](Cc3cccnc3)C[C@]2(C)O)c(=O)[nH]c1=O ZINC000257295443 436862933 /nfs/dbraw/zinc/86/29/33/436862933.db2.gz QYHKSXSOIYMTRW-YOEHRIQHSA-N 1 1 330.388 0.850 40 0 ECABMO C[NH+]1CCN([C@@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@H]2O)CC1 ZINC000257294200 436862943 /nfs/dbraw/zinc/86/29/43/436862943.db2.gz QTANOWRHUAYYOQ-CHWSQXEVSA-N 1 1 342.827 0.080 40 0 ECABMO CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257291101 436864423 /nfs/dbraw/zinc/86/44/23/436864423.db2.gz QFQZQBPNWAURGS-RBSFLKMASA-N 1 1 335.404 0.434 40 0 ECABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccc(F)cc3)C2)CC1 ZINC000257296825 436866387 /nfs/dbraw/zinc/86/63/87/436866387.db2.gz RENLMYNAJMGSDT-IBGZPJMESA-N 1 1 349.450 0.969 40 0 ECABMO CCOc1ccc(CN2CC[N@@H+](C)C[C@H](C(=O)NC)C2)cc1CO ZINC000257324426 436872373 /nfs/dbraw/zinc/87/23/73/436872373.db2.gz WOQBQWATPGGTSA-INIZCTEOSA-N 1 1 335.448 0.687 40 0 ECABMO CCOc1ccc(C[N@@H+]2CCN(C)C[C@H](C(=O)NC)C2)cc1CO ZINC000257324426 436872377 /nfs/dbraw/zinc/87/23/77/436872377.db2.gz WOQBQWATPGGTSA-INIZCTEOSA-N 1 1 335.448 0.687 40 0 ECABMO CCOc1ccc(C[N@H+]2CCN(C)C[C@H](C(=O)NC)C2)cc1CO ZINC000257324426 436872381 /nfs/dbraw/zinc/87/23/81/436872381.db2.gz WOQBQWATPGGTSA-INIZCTEOSA-N 1 1 335.448 0.687 40 0 ECABMO C[N@@H+](CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)C1CCCC1 ZINC000257329366 436872943 /nfs/dbraw/zinc/87/29/43/436872943.db2.gz XJRJLZWCEJFBNV-KRWDZBQOSA-N 1 1 333.436 0.408 40 0 ECABMO Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@@H+](Cc3ccsc3)C1)OC2 ZINC000306141752 437167941 /nfs/dbraw/zinc/16/79/41/437167941.db2.gz WFMMQFZJKHBZNK-HNNXBMFYSA-N 1 1 334.401 0.178 40 0 ECABMO OCCCN1CC2(C1)C[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289528 438813214 /nfs/dbraw/zinc/81/32/14/438813214.db2.gz NGUCWUXQWKNELA-RBUKOAKNSA-N 1 1 345.487 0.417 40 0 biogenic,in-vitro ECABMO OCCCN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514289528 438813231 /nfs/dbraw/zinc/81/32/31/438813231.db2.gz NGUCWUXQWKNELA-RBUKOAKNSA-N 1 1 345.487 0.417 40 0 biogenic,in-vitro ECABMO CNC(=O)CCc1cc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc(C)n1 ZINC000072367055 283311606 /nfs/dbraw/zinc/31/16/06/283311606.db2.gz ILHLSKVSPAVGQN-AWEZNQCLSA-N 1 1 347.463 0.731 40 0 ECABMO CNC(=O)CCc1cc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc(C)n1 ZINC000072367055 283311611 /nfs/dbraw/zinc/31/16/11/283311611.db2.gz ILHLSKVSPAVGQN-AWEZNQCLSA-N 1 1 347.463 0.731 40 0 ECABMO CCOC(=O)Cn1nnnc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000035310880 213020197 /nfs/dbraw/zinc/02/01/97/213020197.db2.gz GBHVOBPGQSEWKI-UHFFFAOYSA-N 1 1 344.419 0.554 40 0 ECABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CC[N@H+](C(CO)CO)C2)n1 ZINC000072363668 216170557 /nfs/dbraw/zinc/17/05/57/216170557.db2.gz KYXSHIKTYGNNNM-GFCCVEGCSA-N 1 1 330.392 0.461 40 0 ECABMO CCc1[nH]c(CN2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c(C)[nH+]1 ZINC000257205417 244133442 /nfs/dbraw/zinc/13/34/42/244133442.db2.gz AYXLSGWXESHHCW-QGZVFWFLSA-N 1 1 336.436 0.730 40 0 ECABMO Cc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnco3)[C@H](O)C2)cn1 ZINC000257250234 244269216 /nfs/dbraw/zinc/26/92/16/244269216.db2.gz JLRNMXABNAYONE-NVXWUHKLSA-N 1 1 346.387 0.106 40 0 ECABMO Cc1ccc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnco3)[C@H](O)C2)cn1 ZINC000257250234 244269222 /nfs/dbraw/zinc/26/92/22/244269222.db2.gz JLRNMXABNAYONE-NVXWUHKLSA-N 1 1 346.387 0.106 40 0 ECABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000257312047 277108118 /nfs/dbraw/zinc/10/81/18/277108118.db2.gz UMFZIHDNPUBZQK-IBGZPJMESA-N 1 1 347.459 0.666 40 0 ECABMO CNC(=O)[C@H]1CN(C(=O)C2CCCC2)CC[N@H+](C2CCOCC2)C1 ZINC000257260719 277253156 /nfs/dbraw/zinc/25/31/56/277253156.db2.gz LEAMSFLFTYHWFF-OAHLLOKOSA-N 1 1 337.464 0.862 40 0 ECABMO Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)N[C@@H](C)CO)n1 ZINC000006796830 436003258 /nfs/dbraw/zinc/00/32/58/436003258.db2.gz XPZQCCUSDMLBQD-LBPRGKRZSA-N 1 1 339.465 0.126 40 0 ECABMO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1scnc1C)C2 ZINC000096108381 436513934 /nfs/dbraw/zinc/51/39/34/436513934.db2.gz NALCVCZQIZCVFM-OCCSQVGLSA-N 1 1 345.490 0.839 40 0 ECABMO O=C(NC[C@]12COC[C@H]1C[N@@H+](Cc1ccncc1)C2)c1ccno1 ZINC000096108476 436514275 /nfs/dbraw/zinc/51/42/75/436514275.db2.gz TWIFGNZEEUEWEP-PBHICJAKSA-N 1 1 328.372 0.948 40 0 ECABMO COCCNC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2O1 ZINC000096207217 436522450 /nfs/dbraw/zinc/52/24/50/436522450.db2.gz OZSNPNIPHZBLTK-ARFHVFGLSA-N 1 1 349.431 0.832 40 0 ECABMO COCCNC(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2O1 ZINC000096207217 436522455 /nfs/dbraw/zinc/52/24/55/436522455.db2.gz OZSNPNIPHZBLTK-ARFHVFGLSA-N 1 1 349.431 0.832 40 0 ECABMO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccncc3)[C@@H]3CCCO[C@H]23)cn1 ZINC000096056345 436506800 /nfs/dbraw/zinc/50/68/00/436506800.db2.gz FLAIUOYJNTZOMJ-BRWVUGGUSA-N 1 1 341.415 0.977 40 0 ECABMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccncc3)[C@@H]3CCCO[C@H]23)cn1 ZINC000096056345 436506803 /nfs/dbraw/zinc/50/68/03/436506803.db2.gz FLAIUOYJNTZOMJ-BRWVUGGUSA-N 1 1 341.415 0.977 40 0 ECABMO CC(=O)NCC(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096064583 436508362 /nfs/dbraw/zinc/50/83/62/436508362.db2.gz HUEUQHGWHUWUOO-NUJGCVRESA-N 1 1 346.431 0.408 40 0 ECABMO CC(=O)NCC(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096064583 436508365 /nfs/dbraw/zinc/50/83/65/436508365.db2.gz HUEUQHGWHUWUOO-NUJGCVRESA-N 1 1 346.431 0.408 40 0 ECABMO COCC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 ZINC000096076297 436511083 /nfs/dbraw/zinc/51/10/83/436511083.db2.gz KMWXUUWUNNSTOG-KRWDZBQOSA-N 1 1 336.436 0.621 40 0 ECABMO CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000096249463 436528522 /nfs/dbraw/zinc/52/85/22/436528522.db2.gz IFXZPSOLIOEHGS-GJZGRUSLSA-N 1 1 325.434 0.706 40 0 ECABMO CS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000247510506 436795036 /nfs/dbraw/zinc/79/50/36/436795036.db2.gz IFXZPSOLIOEHGS-HUUCEWRRSA-N 1 1 325.434 0.706 40 0 ECABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000247952927 436797722 /nfs/dbraw/zinc/79/77/22/436797722.db2.gz MRVYTBJDTHXFNK-AWEZNQCLSA-N 1 1 349.497 0.100 40 0 ECABMO CNc1cccc([C@H]2C[N@H+](CC3(O)CCN(C(C)=O)CC3)CCO2)n1 ZINC000257291889 436864670 /nfs/dbraw/zinc/86/46/70/436864670.db2.gz QJBJKTNRFSGITF-MRXNPFEDSA-N 1 1 348.447 0.870 40 0 ECABMO CNc1cccc([C@H]2C[N@@H+](CC3(O)CCN(C(C)=O)CC3)CCO2)n1 ZINC000257291889 436864675 /nfs/dbraw/zinc/86/46/75/436864675.db2.gz QJBJKTNRFSGITF-MRXNPFEDSA-N 1 1 348.447 0.870 40 0 ECABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CCO)CC2 ZINC000257310370 436867541 /nfs/dbraw/zinc/86/75/41/436867541.db2.gz UEVAECJGBRNEFM-GUDVDZBRSA-N 1 1 345.443 0.779 40 0 ECABMO CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)C[N@@H+](C)C1CCCC1 ZINC000257308577 436868680 /nfs/dbraw/zinc/86/86/80/436868680.db2.gz TXGTYKBWXQMCJB-SFHVURJKSA-N 1 1 347.463 0.751 40 0 ECABMO CC[N@@H+](Cc1ccncc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC000257314742 436871053 /nfs/dbraw/zinc/87/10/53/436871053.db2.gz UYGDDLLXACHQDO-IAGOWNOFSA-N 1 1 333.432 0.902 40 0 ECABMO Nc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)nc[nH+]1 ZINC000257324883 436872100 /nfs/dbraw/zinc/87/21/00/436872100.db2.gz WQPHXXKNRUABCU-ZIAGYGMSSA-N 1 1 325.372 0.675 40 0 ECABMO Cc1nc(C)c(CC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)s1 ZINC000257341434 436873987 /nfs/dbraw/zinc/87/39/87/436873987.db2.gz ZKHCRZRYSOLSLQ-MRXNPFEDSA-N 1 1 339.461 0.598 40 0 ECABMO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000408707848 438583364 /nfs/dbraw/zinc/58/33/64/438583364.db2.gz RKPDBNYCMKWJLQ-OAHLLOKOSA-N 1 1 333.432 0.745 40 0 ECABMO CC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514288899 438813777 /nfs/dbraw/zinc/81/37/77/438813777.db2.gz GTQJAMCRPWMLGA-DLBZAZTESA-N 1 1 343.427 0.107 40 0 biogenic,in-vitro ECABMO CC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514288899 438813783 /nfs/dbraw/zinc/81/37/83/438813783.db2.gz GTQJAMCRPWMLGA-DLBZAZTESA-N 1 1 343.427 0.107 40 0 biogenic,in-vitro ECABMO COCC[N@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100525 439630178 /nfs/dbraw/zinc/63/01/78/439630178.db2.gz MDYOYYVAQIREAV-OAHLLOKOSA-N 1 1 332.466 0.525 40 0 ECABMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2[N@H+]1C(C)C ZINC000585107711 439630199 /nfs/dbraw/zinc/63/01/99/439630199.db2.gz OHFZSAIRXCSEQE-MELADBBJSA-N 1 1 334.395 0.890 40 0 ECABMO Cc1cccnc1C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585293778 439641166 /nfs/dbraw/zinc/64/11/66/439641166.db2.gz AEBRTUARJZUMJX-ZSYWTGECSA-N 1 1 328.412 0.900 40 0 ECABMO C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)N2CCCC2)nn1 ZINC000008300133 560208654 /nfs/dbraw/zinc/20/86/54/560208654.db2.gz PDOILEBUMRZQGI-IMJJTQAJSA-N 1 1 332.452 0.330 40 0 biogenic,in-vitro ECABMO CNCc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)N2CCCC2)nn1 ZINC000008300133 560208658 /nfs/dbraw/zinc/20/86/58/560208658.db2.gz PDOILEBUMRZQGI-IMJJTQAJSA-N 1 1 332.452 0.330 40 0 biogenic,in-vitro ECABMO CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000100619734 219102814 /nfs/dbraw/zinc/10/28/14/219102814.db2.gz HTCPMFRPBGABKN-OAHLLOKOSA-N 1 1 330.388 0.524 40 0 ECABMO COC[C@H]1CN(C(=O)CNC(C)=O)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354514 216164532 /nfs/dbraw/zinc/16/45/32/216164532.db2.gz JZRNWDDLNLLEQL-GOSISDBHSA-N 1 1 347.459 0.772 40 0 ECABMO CCS(=O)(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000253494063 244003179 /nfs/dbraw/zinc/00/31/79/244003179.db2.gz WHKCDYYDWIYUNT-LSDHHAIUSA-N 1 1 325.434 0.706 40 0 ECABMO C[N@@H+](C1CCOCC1)[C@H]1CCN(C(=O)c2ncccn2)CC[C@@H]1O ZINC000257207004 244135401 /nfs/dbraw/zinc/13/54/01/244135401.db2.gz BFWFLQWXVBAEIM-GJZGRUSLSA-N 1 1 334.420 0.553 40 0 ECABMO Cc1cnn(CC(=O)N2C[C@@H](O)[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000257227220 244204456 /nfs/dbraw/zinc/20/44/56/244204456.db2.gz FOEGWZKPNNULHQ-QZTJIDSGSA-N 1 1 340.427 0.822 40 0 ECABMO CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000257231710 244215349 /nfs/dbraw/zinc/21/53/49/244215349.db2.gz GHXIAXYMPBVVQM-OAHLLOKOSA-N 1 1 339.461 0.434 40 0 ECABMO O=C(CCc1cccnc1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257268672 244370953 /nfs/dbraw/zinc/37/09/53/244370953.db2.gz MMRDCKUHMYINGJ-JFIYKMOQSA-N 1 1 333.432 0.745 40 0 ECABMO CN(C)C(=O)[C@H]1CN(Cc2ccnc(N3CCCC3)n2)CC[N@@H+](C)C1 ZINC000257264072 244356641 /nfs/dbraw/zinc/35/66/41/244356641.db2.gz LSUHMDPIZUUKAU-OAHLLOKOSA-N 1 1 346.479 0.529 40 0 ECABMO O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@@H+](C2CCOCC2)C1 ZINC000096067160 285223012 /nfs/dbraw/zinc/22/30/12/285223012.db2.gz CDJMQTWZYNJCFZ-CQSZACIVSA-N 1 1 329.404 0.751 40 0 ECABMO O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@H+](C2CCOCC2)C1 ZINC000096067160 285223014 /nfs/dbraw/zinc/22/30/14/285223014.db2.gz CDJMQTWZYNJCFZ-CQSZACIVSA-N 1 1 329.404 0.751 40 0 ECABMO CCCn1cc(C[N@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)cn1 ZINC000257334519 276058877 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C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C(N)=O)C1 ZINC000257291929 436863402 /nfs/dbraw/zinc/86/34/02/436863402.db2.gz QJGURCVIXJCONQ-VIFPVBQESA-N 1 1 333.360 0.002 40 0 ECABMO C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H](C(N)=O)C1 ZINC000257291929 436863404 /nfs/dbraw/zinc/86/34/04/436863404.db2.gz QJGURCVIXJCONQ-VIFPVBQESA-N 1 1 333.360 0.002 40 0 ECABMO Nc1cnc(C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)CC2)cn1 ZINC000257295978 436863642 /nfs/dbraw/zinc/86/36/42/436863642.db2.gz RAQVGTMBXJQGOH-OAHLLOKOSA-N 1 1 347.463 0.952 40 0 ECABMO Cc1cccc(N2CCC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)[nH+]1 ZINC000257310720 436868289 /nfs/dbraw/zinc/86/82/89/436868289.db2.gz UGFYLQRPZWJVJP-GFCCVEGCSA-N 1 1 331.376 0.027 40 0 ECABMO CCOc1ccc(CN2CC[N@@H+](C)C[C@@H](C(=O)NC)C2)cc1CO ZINC000257324427 436873138 /nfs/dbraw/zinc/87/31/38/436873138.db2.gz WOQBQWATPGGTSA-MRXNPFEDSA-N 1 1 335.448 0.687 40 0 ECABMO CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H](C(=O)NC)C2)cc1CO ZINC000257324427 436873140 /nfs/dbraw/zinc/87/31/40/436873140.db2.gz WOQBQWATPGGTSA-MRXNPFEDSA-N 1 1 335.448 0.687 40 0 ECABMO CCOc1ccc(C[N@H+]2CCN(C)C[C@@H](C(=O)NC)C2)cc1CO ZINC000257324427 436873145 /nfs/dbraw/zinc/87/31/45/436873145.db2.gz WOQBQWATPGGTSA-MRXNPFEDSA-N 1 1 335.448 0.687 40 0 ECABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccnc3)C2)C1 ZINC000514288531 438813939 /nfs/dbraw/zinc/81/39/39/438813939.db2.gz CBRQRDPAGFIHSZ-DLBZAZTESA-N 1 1 344.459 0.569 40 0 biogenic,in-vitro ECABMO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccnc3)C2)C1 ZINC000514288531 438813947 /nfs/dbraw/zinc/81/39/47/438813947.db2.gz CBRQRDPAGFIHSZ-DLBZAZTESA-N 1 1 344.459 0.569 40 0 biogenic,in-vitro ECABMO COCC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1 ZINC000585104994 439629678 /nfs/dbraw/zinc/62/96/78/439629678.db2.gz XPCBLCIYYMHEBD-QGZVFWFLSA-N 1 1 337.420 0.989 40 0 ECABMO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291210 439641972 /nfs/dbraw/zinc/64/19/72/439641972.db2.gz NGAHLWZBKIZYTH-MYZZLAAOSA-N 1 1 348.443 0.480 40 0 ECABMO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291210 439641975 /nfs/dbraw/zinc/64/19/75/439641975.db2.gz NGAHLWZBKIZYTH-MYZZLAAOSA-N 1 1 348.443 0.480 40 0 ECABMO CNC(=O)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@@H+](C)C1 ZINC000257256750 536398399 /nfs/dbraw/zinc/39/83/99/536398399.db2.gz KMTBYPRAKBUKQS-ZDUSSCGKSA-N 1 1 346.431 0.416 40 0 ECABMO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000257255754 536400006 /nfs/dbraw/zinc/40/00/06/536400006.db2.gz KIRYUQYPOBGXNZ-HNNXBMFYSA-N 1 1 347.415 0.484 40 0 ECABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccco2)n2ncnc2N1 ZINC000054672260 214250283 /nfs/dbraw/zinc/25/02/83/214250283.db2.gz SNXGQTZPHNPFNZ-AWEZNQCLSA-N 1 1 328.376 0.934 40 0 ECABMO Cc1cc2ccccc2n1CCC(=O)N1CC[N@@H+](C)C[C@H]1C(N)=O ZINC000072350854 216162943 /nfs/dbraw/zinc/16/29/43/216162943.db2.gz AAVHOTMUCCPITJ-INIZCTEOSA-N 1 1 328.416 0.968 40 0 ECABMO Cc1cc2ccccc2n1CCC(=O)N1CC[N@H+](C)C[C@H]1C(N)=O ZINC000072350854 216162948 /nfs/dbraw/zinc/16/29/48/216162948.db2.gz AAVHOTMUCCPITJ-INIZCTEOSA-N 1 1 328.416 0.968 40 0 ECABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380483 216182776 /nfs/dbraw/zinc/18/27/76/216182776.db2.gz GDBUBGZSNQNREL-CYBMUJFWSA-N 1 1 349.435 0.150 40 0 ECABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380483 216182778 /nfs/dbraw/zinc/18/27/78/216182778.db2.gz GDBUBGZSNQNREL-CYBMUJFWSA-N 1 1 349.435 0.150 40 0 ECABMO CN([C@@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O ZINC000225769548 242026220 /nfs/dbraw/zinc/02/62/20/242026220.db2.gz RYWOHECQTXJFNX-CQSZACIVSA-N 1 1 325.434 0.393 40 0 ECABMO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cncs1 ZINC000257244663 244253644 /nfs/dbraw/zinc/25/36/44/244253644.db2.gz IMHKKYPCJLOYKA-YRGRVCCFSA-N 1 1 325.434 0.877 40 0 ECABMO O=C(c1n[nH]c2c1CCC2)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257270738 244376280 /nfs/dbraw/zinc/37/62/80/244376280.db2.gz MVLXQAVZYMEUJQ-GJZGRUSLSA-N 1 1 334.420 0.196 40 0 ECABMO CCOc1ncccc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257273596 244386858 /nfs/dbraw/zinc/38/68/58/244386858.db2.gz NHIKLUNEOWUISA-HOTGVXAUSA-N 1 1 349.431 0.778 40 0 ECABMO COCCN1Cn2c3ccccc3nc2N(N2CC[NH+](C)CC2)C1 ZINC000020637215 274033560 /nfs/dbraw/zinc/03/35/60/274033560.db2.gz QAWYWZWRKSGXKK-UHFFFAOYSA-N 1 1 330.436 0.882 40 0 ECABMO CCS(=O)(=O)CC[NH+]1CCC2(CN(C(C)=O)C[C@H]2COC)CC1 ZINC000253491251 276387886 /nfs/dbraw/zinc/38/78/86/276387886.db2.gz LUEPGXLTONZSNA-HNNXBMFYSA-N 1 1 346.493 0.628 40 0 ECABMO C[N@H+]1CCN(C(=O)CCn2cnc3ccccc32)C[C@@H](C(N)=O)C1 ZINC000257319805 277089542 /nfs/dbraw/zinc/08/95/42/277089542.db2.gz VUCDPHLTWXFMPP-ZDUSSCGKSA-N 1 1 329.404 0.302 40 0 ECABMO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O)c1ccccc1 ZINC000077264313 436228094 /nfs/dbraw/zinc/22/80/94/436228094.db2.gz HZMKZHAFSIMZIH-ZACQAIPSSA-N 1 1 327.384 0.730 40 0 biogenic,in-vitro ECABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1 ZINC000096108343 436513942 /nfs/dbraw/zinc/51/39/42/436513942.db2.gz YABXGHFNNMWXDG-YPMHNXCESA-N 1 1 331.463 0.449 40 0 ECABMO COCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC000096185661 436519504 /nfs/dbraw/zinc/51/95/04/436519504.db2.gz VQNFMEDWAHFGCG-PMPSAXMXSA-N 1 1 333.436 0.626 40 0 ECABMO O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@@H+](C[C@@H]2CCOC2)C1 ZINC000096188740 436521558 /nfs/dbraw/zinc/52/15/58/436521558.db2.gz UTYLUWCPPIVAMI-GJZGRUSLSA-N 1 1 329.404 0.608 40 0 ECABMO CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@@H+](C[C@@H]2CCOC2)C1 ZINC000096189076 436521645 /nfs/dbraw/zinc/52/16/45/436521645.db2.gz XFVZOHRZSRBSKX-GJZGRUSLSA-N 1 1 336.436 0.456 40 0 ECABMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccn2C)O1 ZINC000096064606 436508117 /nfs/dbraw/zinc/50/81/17/436508117.db2.gz KEEUFIBIHNCJBB-KKUMJFAQSA-N 1 1 336.436 0.647 40 0 ECABMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccn2C)O1 ZINC000096064606 436508119 /nfs/dbraw/zinc/50/81/19/436508119.db2.gz KEEUFIBIHNCJBB-KKUMJFAQSA-N 1 1 336.436 0.647 40 0 ECABMO COCCNC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1nc(C)cs1)C2 ZINC000096110032 436513008 /nfs/dbraw/zinc/51/30/08/436513008.db2.gz COQIXFUTIDBVAD-IUODEOHRSA-N 1 1 325.434 0.663 40 0 ECABMO Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@H+]2C[C@@H]2CCOC2)cn1 ZINC000096200967 436523762 /nfs/dbraw/zinc/52/37/62/436523762.db2.gz VRTPZEFCEBWESD-UHOSZYNNSA-N 1 1 347.507 0.689 40 0 ECABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cccnc1=O ZINC000257226830 436860207 /nfs/dbraw/zinc/86/02/07/436860207.db2.gz FMJCYXJMLNMIDB-CQSZACIVSA-N 1 1 328.372 0.425 40 0 ECABMO CNC(=O)[C@H]1CN(Cc2ccncc2)CC[N@H+](C2CCOCC2)C1 ZINC000257280731 436862436 /nfs/dbraw/zinc/86/24/36/436862436.db2.gz OMCRVONXAMUHHT-INIZCTEOSA-N 1 1 332.448 0.740 40 0 ECABMO CC(=O)N1CCCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC000257284391 436862630 /nfs/dbraw/zinc/86/26/30/436862630.db2.gz PCMNAFXUOKLZHU-IAGOWNOFSA-N 1 1 337.464 0.958 40 0 ECABMO CN(C)c1cc(C[C@@H]2CN(c3ncccn3)CC[N@@H+](C)C2)ncn1 ZINC000257283006 436862757 /nfs/dbraw/zinc/86/27/57/436862757.db2.gz OWIMCJGMZJEMJC-AWEZNQCLSA-N 1 1 327.436 0.943 40 0 ECABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3F)C2)CC1 ZINC000257288299 436864449 /nfs/dbraw/zinc/86/44/49/436864449.db2.gz PTRBTDWHMDBUAP-IBGZPJMESA-N 1 1 349.450 0.969 40 0 ECABMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000257308933 436868358 /nfs/dbraw/zinc/86/83/58/436868358.db2.gz TYUFYKOHIGXUPR-JKSUJKDBSA-N 1 1 329.400 0.903 40 0 ECABMO Cc1noc(C)c1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257340867 436875338 /nfs/dbraw/zinc/87/53/38/436875338.db2.gz ZHVBZVWGCWZXIV-IIAWOOMASA-N 1 1 337.420 0.978 40 0 ECABMO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12)C1CC1 ZINC000306139290 437168237 /nfs/dbraw/zinc/16/82/37/437168237.db2.gz SUBRFTDGKWKWAQ-APHBMKBZSA-N 1 1 337.445 0.610 40 0 ECABMO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]12)C1CC1 ZINC000306139290 437168241 /nfs/dbraw/zinc/16/82/41/437168241.db2.gz SUBRFTDGKWKWAQ-APHBMKBZSA-N 1 1 337.445 0.610 40 0 ECABMO CC(C)C(=O)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290047 438813746 /nfs/dbraw/zinc/81/37/46/438813746.db2.gz RYZQGBGWFBXDQD-DLBZAZTESA-N 1 1 344.459 0.569 40 0 biogenic,in-vitro ECABMO CC(C)C(=O)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290047 438813753 /nfs/dbraw/zinc/81/37/53/438813753.db2.gz RYZQGBGWFBXDQD-DLBZAZTESA-N 1 1 344.459 0.569 40 0 biogenic,in-vitro ECABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099350 439630054 /nfs/dbraw/zinc/63/00/54/439630054.db2.gz GWBDUMGZJGAKRD-SFHVURJKSA-N 1 1 341.415 0.748 40 0 ECABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099350 439630059 /nfs/dbraw/zinc/63/00/59/439630059.db2.gz GWBDUMGZJGAKRD-SFHVURJKSA-N 1 1 341.415 0.748 40 0 ECABMO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2C(=O)C2CCOCC2)c1 ZINC000585182275 439636207 /nfs/dbraw/zinc/63/62/07/439636207.db2.gz 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/nfs/dbraw/zinc/51/39/01/436513901.db2.gz OPUOYZXIBOHTTE-DOMZBBRYSA-N 1 1 325.434 0.696 40 0 ECABMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](Cc1nccs1)C2 ZINC000096108693 436513903 /nfs/dbraw/zinc/51/39/03/436513903.db2.gz OPUOYZXIBOHTTE-DOMZBBRYSA-N 1 1 325.434 0.696 40 0 ECABMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@@H+](C[C@@H]4CCOC4)CC[C@H]32)cn1 ZINC000096185327 436519924 /nfs/dbraw/zinc/51/99/24/436519924.db2.gz DOMDNEAFTDZVMP-SVGFKBNWSA-N 1 1 348.447 0.523 40 0 ECABMO CCN1C[C@@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096036133 436505005 /nfs/dbraw/zinc/50/50/05/436505005.db2.gz QCUMFLJUIYVZID-KRWDZBQOSA-N 1 1 333.436 0.323 40 0 ECABMO CCN1C[C@@]2(CC1=O)CN(C(C)=O)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096036133 436505007 /nfs/dbraw/zinc/50/50/07/436505007.db2.gz QCUMFLJUIYVZID-KRWDZBQOSA-N 1 1 333.436 0.323 40 0 ECABMO O=C([C@@H]1COC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21)N1CCOCC1 ZINC000096038598 436505390 /nfs/dbraw/zinc/50/53/90/436505390.db2.gz USJYORVRESQPED-DJIMGWMZSA-N 1 1 331.416 0.635 40 0 ECABMO O=C(c1cscn1)N1Cc2nccn2C[C@@H](C[NH+]2CCOCC2)C1 ZINC000096066998 436507661 /nfs/dbraw/zinc/50/76/61/436507661.db2.gz BNVWMPBUXUMKBI-CYBMUJFWSA-N 1 1 347.444 0.944 40 0 ECABMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CCOCC1 ZINC000096057873 436508389 /nfs/dbraw/zinc/50/83/89/436508389.db2.gz MDJWWSVOWQTTKV-ZMSDIMECSA-N 1 1 326.437 0.750 40 0 ECABMO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(CC1CCOCC1)C2 ZINC000096060686 436508583 /nfs/dbraw/zinc/50/85/83/436508583.db2.gz HBDUOGIMBGMCJF-OAHLLOKOSA-N 1 1 337.468 0.719 40 0 ECABMO CCOC(=O)C[NH+]1CCC2(C[C@@H](NC(=O)c3ccccn3)CO2)CC1 ZINC000096221184 436524806 /nfs/dbraw/zinc/52/48/06/436524806.db2.gz RGICVMMVCABUJJ-CQSZACIVSA-N 1 1 347.415 0.998 40 0 ECABMO CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000096217494 436524853 /nfs/dbraw/zinc/52/48/53/436524853.db2.gz JWUHYKFYPQVDSL-ARFHVFGLSA-N 1 1 339.461 0.952 40 0 ECABMO Cn1cc(C[N@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)cn1 ZINC000096218374 436525568 /nfs/dbraw/zinc/52/55/68/436525568.db2.gz UWOKUYRRNGKFNG-CRAIPNDOSA-N 1 1 341.415 0.832 40 0 ECABMO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3nccs3)C2)C1 ZINC000096228845 436526179 /nfs/dbraw/zinc/52/61/79/436526179.db2.gz OIUGFCGYVUANIQ-MRXNPFEDSA-N 1 1 338.477 0.804 40 0 ECABMO CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](Cc3nccs3)C2)C1 ZINC000096228845 436526182 /nfs/dbraw/zinc/52/61/82/436526182.db2.gz OIUGFCGYVUANIQ-MRXNPFEDSA-N 1 1 338.477 0.804 40 0 ECABMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096228845 436526185 /nfs/dbraw/zinc/52/61/85/436526185.db2.gz OIUGFCGYVUANIQ-MRXNPFEDSA-N 1 1 338.477 0.804 40 0 ECABMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096228845 436526190 /nfs/dbraw/zinc/52/61/90/436526190.db2.gz OIUGFCGYVUANIQ-MRXNPFEDSA-N 1 1 338.477 0.804 40 0 ECABMO O=C(N[C@@H]1C[N@H+](C2CCOCC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000107713350 436614571 /nfs/dbraw/zinc/61/45/71/436614571.db2.gz YDHNOXRJGHTSIT-XKQJLSEDSA-N 1 1 346.431 0.865 40 0 ECABMO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1=O ZINC000225381613 436710056 /nfs/dbraw/zinc/71/00/56/436710056.db2.gz MJUWHJAOJPOVIH-NEPJUHHUSA-N 1 1 343.374 0.053 40 0 biogenic,in-vitro ECABMO C(CN1CCOCC1)OC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2CCOC2)O1 ZINC000247899411 436798216 /nfs/dbraw/zinc/79/82/16/436798216.db2.gz VNUKIGKABVFRSG-OWSLCNJRSA-N 1 1 340.464 0.746 40 0 ECABMO CCc1[nH+]ccn1CC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1 ZINC000257281156 436861570 /nfs/dbraw/zinc/86/15/70/436861570.db2.gz ONWMFWGXMJEPJC-KRWDZBQOSA-N 1 1 344.419 0.335 40 0 ECABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)c3ccsc3)[C@H]2O)CC1 ZINC000257295832 436864188 /nfs/dbraw/zinc/86/41/88/436864188.db2.gz RABXUGFQSJHPRE-RBSFLKMASA-N 1 1 337.445 0.534 40 0 ECABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)CN3C(=O)CNC3=O)C2)[nH+]1 ZINC000257290915 436864475 /nfs/dbraw/zinc/86/44/75/436864475.db2.gz QEUXBNDVWHOSOS-CYBMUJFWSA-N 1 1 345.403 0.369 40 0 ECABMO Cc1cn(C)c([C@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257296286 436866683 /nfs/dbraw/zinc/86/66/83/436866683.db2.gz RCBKZXNKHKVWMI-ZDUSSCGKSA-N 1 1 326.466 0.942 40 0 ECABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)C(C)(C)n2cncn2)[C@H]1O ZINC000257308629 436867808 /nfs/dbraw/zinc/86/78/08/436867808.db2.gz TXLKKDIIFNVZNE-MGPQQGTHSA-N 1 1 332.408 0.789 40 0 ECABMO CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000575420039 438748439 /nfs/dbraw/zinc/74/84/39/438748439.db2.gz DQBRWIOAYDQIKD-QWHCGFSZSA-N 1 1 330.381 0.827 40 0 ECABMO CN(C)CC[N@@H+]1CCOCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 ZINC000585102421 439629821 /nfs/dbraw/zinc/62/98/21/439629821.db2.gz BURURKYSKDYDJU-UHFFFAOYSA-N 1 1 339.480 0.260 40 0 ECABMO CN(C)CC[N@H+]1CCOCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 ZINC000585102421 439629826 /nfs/dbraw/zinc/62/98/26/439629826.db2.gz BURURKYSKDYDJU-UHFFFAOYSA-N 1 1 339.480 0.260 40 0 ECABMO CCOC(=O)[C@@]12C[N@@H+](C)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2 ZINC000585108199 439631510 /nfs/dbraw/zinc/63/15/10/439631510.db2.gz QYFBUQDUTAHKRQ-WBMJQRKESA-N 1 1 335.408 0.162 40 0 ECABMO CCC[N@H+](CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287852 439640104 /nfs/dbraw/zinc/64/01/04/439640104.db2.gz GBRPMBUCRSAOFU-NUJGCVRESA-N 1 1 336.432 0.178 40 0 ECABMO CCC[N@@H+](CC(=O)NCCc1ccccc1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585287852 439640108 /nfs/dbraw/zinc/64/01/08/439640108.db2.gz GBRPMBUCRSAOFU-NUJGCVRESA-N 1 1 336.432 0.178 40 0 ECABMO CO[C@@H]1COC[C@@H](N(C)Cc2cccc(OCC[NH+](C)C)c2)[C@@H]1O ZINC000585291599 439641195 /nfs/dbraw/zinc/64/11/95/439641195.db2.gz QOKCQJAPUXJABU-KURKYZTESA-N 1 1 338.448 0.834 40 0 ECABMO CCC[N@H+](Cc1cc2c(cc1OC)OCO2)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290298 439642232 /nfs/dbraw/zinc/64/22/32/439642232.db2.gz BFPQMERZQATGAG-XNJGSVPQSA-N 1 1 339.388 0.757 40 0 ECABMO CCC[N@@H+](Cc1cc2c(cc1OC)OCO2)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290298 439642233 /nfs/dbraw/zinc/64/22/33/439642233.db2.gz BFPQMERZQATGAG-XNJGSVPQSA-N 1 1 339.388 0.757 40 0 ECABMO CC[N@@H+](C)CCN1C(C)=CC(=C2C(=O)NC(=S)NC2=O)C=C1C ZINC000584906275 439626125 /nfs/dbraw/zinc/62/61/25/439626125.db2.gz NQWWPKNLTZRRGC-UHFFFAOYSA-N 1 1 334.445 0.889 40 0 ECABMO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]12 ZINC000257271920 536302136 /nfs/dbraw/zinc/30/21/36/536302136.db2.gz NAIYCMOOZYOGOE-OWCLPIDISA-N 1 1 345.447 0.482 40 0 ECABMO C[NH+]1CCN(C[C@@]2(O)CCN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC000257206244 536414173 /nfs/dbraw/zinc/41/41/73/536414173.db2.gz BCOHPXHYKWMWBN-SFHVURJKSA-N 1 1 335.423 0.579 40 0 ECABMO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)[N@H+]1C ZINC000035442526 213028798 /nfs/dbraw/zinc/02/87/98/213028798.db2.gz INZSVMMQOHNSFI-UXLLHSPISA-N 1 1 338.496 0.917 40 0 biogenic,in-vitro ECABMO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@@H+]2C(C)C)N1C ZINC000035442526 213028801 /nfs/dbraw/zinc/02/88/01/213028801.db2.gz INZSVMMQOHNSFI-UXLLHSPISA-N 1 1 338.496 0.917 40 0 biogenic,in-vitro ECABMO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@H+]2C(C)C)N1C ZINC000035442526 213028804 /nfs/dbraw/zinc/02/88/04/213028804.db2.gz INZSVMMQOHNSFI-UXLLHSPISA-N 1 1 338.496 0.917 40 0 biogenic,in-vitro ECABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)ncc2C1 ZINC000072390868 216191359 /nfs/dbraw/zinc/19/13/59/216191359.db2.gz GJTCSCVLYAKDRZ-CQSZACIVSA-N 1 1 345.447 0.649 40 0 ECABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)ncc2C1 ZINC000072390868 216191361 /nfs/dbraw/zinc/19/13/61/216191361.db2.gz GJTCSCVLYAKDRZ-CQSZACIVSA-N 1 1 345.447 0.649 40 0 ECABMO O=C(NC[C@]1(O)C[N@H+](Cc2cccs2)C[C@H]1O)c1ccccn1 ZINC000257206858 244137839 /nfs/dbraw/zinc/13/78/39/244137839.db2.gz BFEPLUWSANHXNG-ZBFHGGJFSA-N 1 1 333.413 0.481 40 0 ECABMO CC(C)c1ncc(C(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)cn1 ZINC000257230116 244209719 /nfs/dbraw/zinc/20/97/19/244209719.db2.gz GAWWERHPEFUGLJ-QGZVFWFLSA-N 1 1 334.420 0.509 40 0 ECABMO CS(=O)(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@@H](C(N)=O)C1 ZINC000257231293 244213063 /nfs/dbraw/zinc/21/30/63/244213063.db2.gz GGBFAZBQFPZYIR-GFCCVEGCSA-N 1 1 329.397 0.004 40 0 ECABMO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H](C(N)=O)C1 ZINC000257231293 244213071 /nfs/dbraw/zinc/21/30/71/244213071.db2.gz GGBFAZBQFPZYIR-GFCCVEGCSA-N 1 1 329.397 0.004 40 0 ECABMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257219843 244181913 /nfs/dbraw/zinc/18/19/13/244181913.db2.gz DILAARMPKXKAHT-KRWDZBQOSA-N 1 1 344.419 0.471 40 0 ECABMO O=C(N[C@@H]1C[N@@H+](CCCOc2ccccc2F)C[C@H]1O)c1ccn[nH]1 ZINC000257234946 244225112 /nfs/dbraw/zinc/22/51/12/244225112.db2.gz GVSVQJYPXHYABO-HUUCEWRRSA-N 1 1 348.378 0.793 40 0 ECABMO O=C(N[C@@H]1C[N@H+](CCCOc2ccccc2F)C[C@H]1O)c1ccn[nH]1 ZINC000257234946 244225122 /nfs/dbraw/zinc/22/51/22/244225122.db2.gz GVSVQJYPXHYABO-HUUCEWRRSA-N 1 1 348.378 0.793 40 0 ECABMO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1ccncc1)C[C@@H]2O ZINC000257247470 244259689 /nfs/dbraw/zinc/25/96/89/244259689.db2.gz IZDCXZBCNFVWMQ-GJZGRUSLSA-N 1 1 325.434 0.442 40 0 ECABMO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccncc1)C[C@@H]2O ZINC000257247470 244259694 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biogenic,in-vitro ECABMO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCCO)C2)C1 ZINC000514290156 257845669 /nfs/dbraw/zinc/84/56/69/257845669.db2.gz UQTRRJHIHIVFQR-DLBZAZTESA-N 1 1 345.443 0.014 40 0 biogenic,in-vitro ECABMO COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)N2CCOCC2)cc1 ZINC000257298090 286378980 /nfs/dbraw/zinc/37/89/80/286378980.db2.gz RKBWJQIVSXDDRO-OAHLLOKOSA-N 1 1 341.433 0.219 40 0 ECABMO COc1cc2c(cc1OC)[C@@H]1C[C@](CC(N)=O)(C(N)=O)CC[N@H+]1CC2 ZINC000005766727 435992479 /nfs/dbraw/zinc/99/24/79/435992479.db2.gz ZYLDOXRRCGMALP-SCLBCKFNSA-N 1 1 347.415 0.744 40 0 ECABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(c2ccccc2)CC1 ZINC000013563541 436060994 /nfs/dbraw/zinc/06/09/94/436060994.db2.gz LIQVMGVNXKAQMM-SJORKVTESA-N 1 1 342.443 0.688 40 0 ECABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(c2ccccc2)CC1 ZINC000013563541 436061004 /nfs/dbraw/zinc/06/10/04/436061004.db2.gz LIQVMGVNXKAQMM-SJORKVTESA-N 1 1 342.443 0.688 40 0 ECABMO 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