smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc(-n2cccc2CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c1 ZINC000019238220 202001798 /nfs/dbraw/zinc/00/17/98/202001798.db2.gz FXUCZOMCLJQTCS-CGTJXYLNSA-N 1 0 326.444 1.820 40 0 EDABRO COc1cc2c(cc1C[N@@H+]1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019285216 202002661 /nfs/dbraw/zinc/00/26/61/202002661.db2.gz DRZKTGXYNUYTAM-LBPRGKRZSA-N 1 0 343.383 1.805 40 0 EDABRO CCC(CC)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019500268 202008219 /nfs/dbraw/zinc/00/82/19/202008219.db2.gz LCMXODQXAXYBDT-CYBMUJFWSA-N 1 0 330.436 1.456 40 0 EDABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497866 202008903 /nfs/dbraw/zinc/00/89/03/202008903.db2.gz VGCPWXJXJIRKQZ-SUMWQHHRSA-N 1 0 338.473 1.917 40 0 EDABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CCOC)CC2 ZINC000019711445 202016953 /nfs/dbraw/zinc/01/69/53/202016953.db2.gz JRZVDWZZVCQZFR-ZDUSSCGKSA-N 1 0 347.463 1.249 40 0 EDABRO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000036718964 202329081 /nfs/dbraw/zinc/32/90/81/202329081.db2.gz BEERMGACMMQTOF-XOSAIJSUSA-N 1 0 332.444 1.733 40 0 EDABRO C[NH+]1CCN(CCCNc2c(C=O)c(=O)[nH]c3ccccc32)CC1 ZINC000023247826 212362792 /nfs/dbraw/zinc/36/27/92/212362792.db2.gz OOLDWBZNVMRCRO-UHFFFAOYSA-N 1 0 328.416 1.390 40 0 EDABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C[NH3+])cc1 ZINC000218524637 241328797 /nfs/dbraw/zinc/32/87/97/241328797.db2.gz GPAMHLUBMHNDQF-RCCFBDPRSA-N 1 0 330.453 1.899 40 0 EDABRO c1ncn(C[C@@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC000253596854 244032886 /nfs/dbraw/zinc/03/28/86/244032886.db2.gz WMPCQOOXUXPMFM-ROUUACIJSA-N 1 0 328.416 1.728 40 0 EDABRO Cc1ncc(CNC(=O)Cn2cc(Cl)cn2)c([C@H]2CCC[N@H+]2C)n1 ZINC000257207185 244135163 /nfs/dbraw/zinc/13/51/63/244135163.db2.gz BGRWPBUWSZMVOP-CQSZACIVSA-N 1 0 348.838 1.718 40 0 EDABRO Cc1nc([C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)cc(=O)[nH]1 ZINC000257218600 244173684 /nfs/dbraw/zinc/17/36/84/244173684.db2.gz DDTKWVRPNACWHF-OAHLLOKOSA-N 1 0 334.420 1.265 40 0 EDABRO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@@H+]2Cc2ccc(Cl)cn2)C1 ZINC000257212583 244158449 /nfs/dbraw/zinc/15/84/49/244158449.db2.gz CEBMRYSPKGYMRV-RRQGHBQHSA-N 1 0 337.851 1.929 40 0 EDABRO CCc1nccn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000257225538 244199904 /nfs/dbraw/zinc/19/99/04/244199904.db2.gz FGQXKUFBQCHTPX-MRXNPFEDSA-N 1 0 328.416 1.627 40 0 EDABRO Cn1ccnc1C[NH+]1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000257234032 244223125 /nfs/dbraw/zinc/22/31/25/244223125.db2.gz GRUSZZFSVHFPIS-MRXNPFEDSA-N 1 0 327.432 1.824 40 0 EDABRO COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340207 203203477 /nfs/dbraw/zinc/20/34/77/203203477.db2.gz MMUMROJPLZJRGC-VCBZYWHSSA-N 1 0 345.395 1.715 40 0 EDABRO CC(=O)NC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000072365884 203207729 /nfs/dbraw/zinc/20/77/29/203207729.db2.gz JFAYUIDHRCBITI-KRWDZBQOSA-N 1 0 330.432 1.589 40 0 EDABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 ZINC000072391637 203214166 /nfs/dbraw/zinc/21/41/66/203214166.db2.gz XNFAEOAVQPOYRB-LBPRGKRZSA-N 1 0 330.436 1.408 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257256324 244280480 /nfs/dbraw/zinc/28/04/80/244280480.db2.gz KKZJOCTZRZNTSN-HNNXBMFYSA-N 1 0 327.375 1.333 40 0 EDABRO O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257266948 244363122 /nfs/dbraw/zinc/36/31/22/244363122.db2.gz MFGTWIAVLQOHBG-GOSISDBHSA-N 1 0 332.400 1.017 40 0 EDABRO Nc1ncnc2c1ncn2[C@H]1CC[N@H+](Cc2cncs2)CC[C@@H]1O ZINC000257276800 244394839 /nfs/dbraw/zinc/39/48/39/244394839.db2.gz NVDPENQJLMRIMU-RYUDHWBXSA-N 1 0 345.432 1.063 40 0 EDABRO CCC[C@H](c1nnnn1CCOC)N1CC[NH+](C2CCCC2)CC1 ZINC000019501900 212033561 /nfs/dbraw/zinc/03/35/61/212033561.db2.gz VPWSQSDNZNKJKK-MRXNPFEDSA-N 1 0 336.484 1.721 40 0 EDABRO Cc1cccc(CO[C@@H]2COC3(C2)CCN(C(=O)C[NH+](C)C)CC3)n1 ZINC000096207995 203867499 /nfs/dbraw/zinc/86/74/99/203867499.db2.gz LTWSUGMYYREBKV-KRWDZBQOSA-N 1 0 347.459 1.618 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cn1 ZINC000096207387 203867565 /nfs/dbraw/zinc/86/75/65/203867565.db2.gz ASGVIEUPAIRIMO-BZUAXINKSA-N 1 0 343.431 1.760 40 0 EDABRO C[NH+](C)C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)O1 ZINC000096209113 203869224 /nfs/dbraw/zinc/86/92/24/203869224.db2.gz JFNUWEDUCVJTJX-GOEBONIOSA-N 1 0 339.461 1.346 40 0 EDABRO CS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096220172 203875042 /nfs/dbraw/zinc/87/50/42/203875042.db2.gz VECATTZMRYKBRF-IAGOWNOFSA-N 1 0 342.505 1.407 40 0 EDABRO C[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249554 203882622 /nfs/dbraw/zinc/88/26/22/203882622.db2.gz UGFUHAPZPHELPT-IUODEOHRSA-N 1 0 328.409 1.167 40 0 EDABRO COCC[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC000107712161 204245739 /nfs/dbraw/zinc/24/57/39/204245739.db2.gz WCLWCGWEWIKNPW-WMZOPIPTSA-N 1 0 340.464 1.143 40 0 EDABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccc(OC)cc1 ZINC000257213191 285158643 /nfs/dbraw/zinc/15/86/43/285158643.db2.gz CGNHBUIZYGHONE-AEFFLSMTSA-N 1 0 347.459 1.673 40 0 EDABRO CNC(=O)c1cnn2c1nccc2C1CC[NH+](C2CCOCC2)CC1 ZINC000257275857 277019266 /nfs/dbraw/zinc/01/92/66/277019266.db2.gz NRGAAYLIKOEGQJ-UHFFFAOYSA-N 1 0 343.431 1.447 40 0 EDABRO CNC(=O)[C@@H]1CN(Cc2ccsc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257203239 277245829 /nfs/dbraw/zinc/24/58/29/277245829.db2.gz APEDYBGETIUNEV-OAHLLOKOSA-N 1 0 337.489 1.407 40 0 EDABRO CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(OCC[NH3+])cc1)CC2 ZINC000257287308 277285929 /nfs/dbraw/zinc/28/59/29/277285929.db2.gz PPJWKAIEWLJAFB-QGZVFWFLSA-N 1 0 348.443 1.824 40 0 EDABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)nc1 ZINC000257269628 289224757 /nfs/dbraw/zinc/22/47/57/289224757.db2.gz MQSSKPPSODHQPT-HNNXBMFYSA-N 1 0 335.433 1.392 40 0 EDABRO C[NH+]1CCC2(C[C@@H](COCC3CC3)N(S(=O)(=O)C3CC3)C2)CC1 ZINC000096219612 289910144 /nfs/dbraw/zinc/91/01/44/289910144.db2.gz IOXDKLAPUAVURY-HNNXBMFYSA-N 1 0 342.505 1.692 40 0 EDABRO Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)C[NH3+])n1 ZINC000257213932 303365491 /nfs/dbraw/zinc/36/54/91/303365491.db2.gz CJTKAKBRSUGCGD-AWEZNQCLSA-N 1 0 329.379 1.877 40 0 EDABRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1NS(C)(=O)=O ZINC000010112494 441110194 /nfs/dbraw/zinc/11/01/94/441110194.db2.gz GWYWEYVUVUDFQS-UHFFFAOYSA-N 1 0 339.461 1.582 40 0 EDABRO O=c1c2ncn(C[NH+]3CCCCC3)c2ncn1CN1CCCCC1 ZINC000059483922 441228701 /nfs/dbraw/zinc/22/87/01/441228701.db2.gz NAKIIQSHUAOOMY-UHFFFAOYSA-N 1 0 330.436 1.480 40 0 EDABRO Cc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019209300 441255770 /nfs/dbraw/zinc/25/57/70/441255770.db2.gz JINIBJGBOGWVJY-MRXNPFEDSA-N 1 0 336.439 1.989 40 0 EDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)C1CCCCC1 ZINC000019404444 441257750 /nfs/dbraw/zinc/25/77/50/441257750.db2.gz BTVPVQMTLTXYPF-AWEZNQCLSA-N 1 0 342.447 1.600 40 0 EDABRO CC[NH+]1CCN(CC(=O)Nc2nc3ccc(OC)cc3s2)CC1 ZINC000019528164 441257841 /nfs/dbraw/zinc/25/78/41/441257841.db2.gz ZOZSICPMGAPOKJ-UHFFFAOYSA-N 1 0 334.445 1.881 40 0 EDABRO Cc1cc(C)c2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000028641165 441435057 /nfs/dbraw/zinc/43/50/57/441435057.db2.gz LOQRCCKYROIAPO-UHFFFAOYSA-N 1 0 329.444 1.957 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536520 441462001 /nfs/dbraw/zinc/46/20/01/441462001.db2.gz MGADSNVINHDKGA-HOCLYGCPSA-N 1 0 338.402 1.890 40 0 EDABRO COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000038342901 441614595 /nfs/dbraw/zinc/61/45/95/441614595.db2.gz CPBHSHYQQLFAPW-ZWKOTPCHSA-N 1 0 339.407 1.523 40 0 investigational EDABRO Cn1nnc2c1CCN(CC[NH+](C)C)[C@@H]2COCc1ccccc1 ZINC000096045325 441993872 /nfs/dbraw/zinc/99/38/72/441993872.db2.gz DLMMIFWPYFLURH-QGZVFWFLSA-N 1 0 329.448 1.493 40 0 EDABRO CN(C)C(=O)CN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096046843 441994833 /nfs/dbraw/zinc/99/48/33/441994833.db2.gz YPNKMBIETDEWBH-UHFFFAOYSA-N 1 0 335.473 1.651 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cn1 ZINC000096046564 441994985 /nfs/dbraw/zinc/99/49/85/441994985.db2.gz JELITLIDQPSZBK-UHFFFAOYSA-N 1 0 339.443 1.943 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039528 441985855 /nfs/dbraw/zinc/98/58/55/441985855.db2.gz LTYGDNFTKVJDMB-AEFFLSMTSA-N 1 0 336.432 1.869 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)N1CCOCC1 ZINC000096057235 442004315 /nfs/dbraw/zinc/00/43/15/442004315.db2.gz MUMUDXPOCUXXQI-KURKYZTESA-N 1 0 345.443 1.025 40 0 EDABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1)N1CCOCC1 ZINC000096057490 442004839 /nfs/dbraw/zinc/00/48/39/442004839.db2.gz CGNNMAWQMIAQRG-BZUAXINKSA-N 1 0 336.457 1.729 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)o1 ZINC000096058302 442007161 /nfs/dbraw/zinc/00/71/61/442007161.db2.gz LCVNFUIXFFWQCI-IXDOHACOSA-N 1 0 334.416 1.979 40 0 EDABRO C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccccn1 ZINC000096062021 442010159 /nfs/dbraw/zinc/01/01/59/442010159.db2.gz BSSUXAQUHFYOPB-INIZCTEOSA-N 1 0 340.475 1.602 40 0 EDABRO CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1ccnnc1)C2 ZINC000096078535 442021511 /nfs/dbraw/zinc/02/15/11/442021511.db2.gz PXEFGEDBJFGAAP-QAPCUYQASA-N 1 0 348.447 1.065 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)n1 ZINC000096081526 442023167 /nfs/dbraw/zinc/02/31/67/442023167.db2.gz VZNPDHBJNAFWPJ-HZPDHXFCSA-N 1 0 337.427 1.774 40 0 EDABRO [NH3+]CC(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000079393008 442044488 /nfs/dbraw/zinc/04/44/88/442044488.db2.gz NCIGNJFZICRRNR-UHFFFAOYSA-N 1 0 345.443 1.985 40 0 EDABRO C[NH+](C)CCO[C@H]1CN(C(=O)NCc2ccccc2)[C@@H]2COC[C@H]12 ZINC000096185002 442058475 /nfs/dbraw/zinc/05/84/75/442058475.db2.gz FANUPJSFAIYKJK-BBWFWOEESA-N 1 0 333.432 1.174 40 0 EDABRO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096187231 442064744 /nfs/dbraw/zinc/06/47/44/442064744.db2.gz MHSOLRJFJMRSJI-IIAWOOMASA-N 1 0 332.400 1.625 40 0 EDABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)C[C@H]1C=CCC1)C2 ZINC000096198531 442072074 /nfs/dbraw/zinc/07/20/74/442072074.db2.gz GRMMASUGZOYRKB-LSDHHAIUSA-N 1 0 347.463 1.175 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cn1 ZINC000096209911 442085644 /nfs/dbraw/zinc/08/56/44/442085644.db2.gz WLMCZMLOLSBTDU-OAHLLOKOSA-N 1 0 334.420 1.098 40 0 EDABRO Cc1cccc(CN2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC2CC2)n1 ZINC000096230284 442097075 /nfs/dbraw/zinc/09/70/75/442097075.db2.gz CQNCZCKAWJOGLF-UHFFFAOYSA-N 1 0 342.487 1.909 40 0 EDABRO CC(C)CN1c2ccccc2[C@@]2(C[C@H]2C(=O)NCC[NH+](C)C)C1=O ZINC000096243465 442100310 /nfs/dbraw/zinc/10/03/10/442100310.db2.gz GBNBIGZWGQKBBX-HNAYVOBHSA-N 1 0 329.444 1.625 40 0 EDABRO Cc1cnc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cn1 ZINC000257292071 443133702 /nfs/dbraw/zinc/13/37/02/443133702.db2.gz QJVPLYIIHSEYNI-QGZVFWFLSA-N 1 0 341.415 1.768 40 0 EDABRO CC[NH+]1CCN(CC(=O)N2CCC(Cc3ccncc3)CC2)CC1 ZINC000257302352 443138453 /nfs/dbraw/zinc/13/84/53/443138453.db2.gz SCOWADJLCGHNRW-UHFFFAOYSA-N 1 0 330.476 1.500 40 0 EDABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@H](c3cncc(C)n3)C2)CC1 ZINC000257315523 443144385 /nfs/dbraw/zinc/14/43/85/443144385.db2.gz VBUNHXZABUZQJX-MRXNPFEDSA-N 1 0 332.448 1.338 40 0 EDABRO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](Cc3cccc(O)c3)CC1)O2 ZINC000257211060 443124742 /nfs/dbraw/zinc/12/47/42/443124742.db2.gz BXIXYDPKHHAVCR-SFHVURJKSA-N 1 0 341.415 1.706 40 0 EDABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257282688 443128840 /nfs/dbraw/zinc/12/88/40/443128840.db2.gz OUVBUTNWDBJUPF-GOSISDBHSA-N 1 0 331.460 1.852 40 0 EDABRO COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)C[NH3+])n2)cc1 ZINC000257285664 443131080 /nfs/dbraw/zinc/13/10/80/443131080.db2.gz PIEBIZMQIMREOZ-OAHLLOKOSA-N 1 0 328.372 1.900 40 0 EDABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C[NH3+])C3)n2)n1 ZINC000257328603 443150040 /nfs/dbraw/zinc/15/00/40/443150040.db2.gz XGKFCMMOZDTLJV-LLVKDONJSA-N 1 0 332.433 1.568 40 0 EDABRO CCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1C ZINC000257329970 443150170 /nfs/dbraw/zinc/15/01/70/443150170.db2.gz XMFUGDJRJBAKFN-ZDUSSCGKSA-N 1 0 346.460 1.896 40 0 EDABRO CC1CC[NH+](CC(=O)N2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257328872 443150435 /nfs/dbraw/zinc/15/04/35/443150435.db2.gz XHKVGNSAYSVWCS-MRXNPFEDSA-N 1 0 332.448 1.226 40 0 EDABRO O=C([C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1)N1CCC(F)(F)CC1 ZINC000257331822 443150690 /nfs/dbraw/zinc/15/06/90/443150690.db2.gz XUKKOVKPBDMOKW-AWEZNQCLSA-N 1 0 327.350 1.862 40 0 EDABRO O=C(c1cccc2ncccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257335576 443152651 /nfs/dbraw/zinc/15/26/51/443152651.db2.gz YKUUXQSZZFHZHL-IBGZPJMESA-N 1 0 325.412 1.908 40 0 EDABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccnn2C)cc1 ZINC000257340964 443155133 /nfs/dbraw/zinc/15/51/33/443155133.db2.gz ZIGWRHYZKFTGDA-KRWDZBQOSA-N 1 0 328.416 1.994 40 0 EDABRO CCN(C)C(=O)c1ccc2c(c1)c(C)nnc2N1CC[NH+](C)CC1 ZINC000306132357 444286269 /nfs/dbraw/zinc/28/62/69/444286269.db2.gz LGHJHJNEHNXVAO-UHFFFAOYSA-N 1 0 327.432 1.782 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)o1 ZINC000306142486 444287639 /nfs/dbraw/zinc/28/76/39/444287639.db2.gz XAMLIXNHCSBRGO-KBAYOESNSA-N 1 0 341.411 1.860 40 0 EDABRO CNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)[nH+]1 ZINC000329039673 444454295 /nfs/dbraw/zinc/45/42/95/444454295.db2.gz RYPGNNSORINPIU-UHFFFAOYSA-N 1 0 333.417 1.037 40 0 EDABRO COCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000585105010 448687874 /nfs/dbraw/zinc/68/78/74/448687874.db2.gz YOZMXAPATGJVJS-IBGZPJMESA-N 1 0 348.443 1.393 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000575404046 449091659 /nfs/dbraw/zinc/09/16/59/449091659.db2.gz LVLLNMYLRCDUCT-GFCCVEGCSA-N 1 0 339.436 1.638 40 0 EDABRO C[NH+](C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382050 449219424 /nfs/dbraw/zinc/21/94/24/449219424.db2.gz AZPOASJDRNAJFN-QBPKDAKJSA-N 1 0 328.416 1.001 40 0 biogenic,in-vitro EDABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C)n1 ZINC000604382624 449219827 /nfs/dbraw/zinc/21/98/27/449219827.db2.gz VOBJXHAYIVSVKQ-UAFMIMERSA-N 1 0 341.455 1.784 40 0 biogenic,in-vitro EDABRO CC(C)C[C@H](NC(=O)[C@H](NCC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000224555034 486171638 /nfs/dbraw/zinc/17/16/38/486171638.db2.gz UABCFHFXPFDWCS-DLBZAZTESA-N 1 0 348.491 1.729 40 0 EDABRO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019333194 202004464 /nfs/dbraw/zinc/00/44/64/202004464.db2.gz SNNREJJWLQNWTF-AWEZNQCLSA-N 1 0 340.402 1.820 40 0 EDABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)cnn1C ZINC000019553660 202011604 /nfs/dbraw/zinc/01/16/04/202011604.db2.gz WBVVIENSVXNXMB-CYBMUJFWSA-N 1 0 343.431 1.988 40 0 EDABRO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706372 202016799 /nfs/dbraw/zinc/01/67/99/202016799.db2.gz YCFIVRHRCQUIOP-HNNXBMFYSA-N 1 0 343.406 1.469 40 0 EDABRO CCCn1c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2sc1=O ZINC000225727759 242007622 /nfs/dbraw/zinc/00/76/22/242007622.db2.gz UTWDHEVBRBRIMD-UHFFFAOYSA-N 1 0 343.474 1.313 40 0 EDABRO Cc1ccc2c(CC(=O)N3CC[N@@H+](C)C[C@H](C(N)=O)C3)coc2c1 ZINC000257214404 244159639 /nfs/dbraw/zinc/15/96/39/244159639.db2.gz CLVWOGCJKAINRL-AWEZNQCLSA-N 1 0 329.400 1.159 40 0 EDABRO O=C(C1CC[NH2+]CC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 ZINC000257217238 244170470 /nfs/dbraw/zinc/17/04/70/244170470.db2.gz CYEHVGTUFDDJRS-IRXDYDNUSA-N 1 0 336.407 1.556 40 0 EDABRO Cn1ccnc1C[NH+]1CCC2(CO[C@@H](Cc3cnccn3)C2)CC1 ZINC000257239841 244238517 /nfs/dbraw/zinc/23/85/17/244238517.db2.gz HRAXSOQENVRIEJ-INIZCTEOSA-N 1 0 327.432 1.824 40 0 EDABRO c1cc(C[C@H]2COCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000257241617 244243608 /nfs/dbraw/zinc/24/36/08/244243608.db2.gz HYTUGTDHABXMSB-MRXNPFEDSA-N 1 0 341.411 1.939 40 0 EDABRO C[NH2+]CC(=O)N1CCC(c2cccc(CCC(=O)N(C)C)n2)CC1 ZINC000072367001 203207128 /nfs/dbraw/zinc/20/71/28/203207128.db2.gz BUPUKUHTFRMWNK-UHFFFAOYSA-N 1 0 332.448 1.028 40 0 EDABRO Cn1ccnc1C[N@@H+]1CCC[C@](CCCc2ccccn2)(C(N)=O)C1 ZINC000072367263 203207678 /nfs/dbraw/zinc/20/76/78/203207678.db2.gz LLRHAWZUUHAOPG-IBGZPJMESA-N 1 0 341.459 1.906 40 0 EDABRO Nc1ncnc2c1ncn2[C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1O ZINC000257247174 244261402 /nfs/dbraw/zinc/26/14/02/244261402.db2.gz IXULEUJFBIQHBZ-STQMWFEESA-N 1 0 344.444 1.668 40 0 EDABRO CNC(=O)c1cccc([C@H]2CN(C3CC[NH+](C)CC3)CCN2C)c1 ZINC000257254015 244275399 /nfs/dbraw/zinc/27/53/99/244275399.db2.gz KBGABUOGFVBGJK-GOSISDBHSA-N 1 0 330.476 1.429 40 0 EDABRO Cc1cc([C@@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)nc(C)n1 ZINC000257258729 244290295 /nfs/dbraw/zinc/29/02/95/244290295.db2.gz KVGFORNEBUREQZ-KRWDZBQOSA-N 1 0 332.448 1.868 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)c2cc3ccccc3s2)CC[N@H+](C)C1 ZINC000257266853 244363354 /nfs/dbraw/zinc/36/33/54/244363354.db2.gz MEVZGJAFVYSICE-CYBMUJFWSA-N 1 0 331.441 1.651 40 0 EDABRO CO[C@H]1CN(C(=O)CC[N@H+](C)Cc2ccccn2)C[C@@]12CCCO2 ZINC000257262783 244353748 /nfs/dbraw/zinc/35/37/48/244353748.db2.gz LMWVAUTZFYRIOK-WMZOPIPTSA-N 1 0 333.432 1.310 40 0 EDABRO CC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1ccnc(C)n1)CC2 ZINC000257274807 244389750 /nfs/dbraw/zinc/38/97/50/244389750.db2.gz NMSQWBAWAVVJJC-KRWDZBQOSA-N 1 0 332.448 1.370 40 0 EDABRO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)s1 ZINC000257318654 244513076 /nfs/dbraw/zinc/51/30/76/244513076.db2.gz VOXAWGCQRAFMRL-CKEIUWERSA-N 1 0 337.489 1.796 40 0 EDABRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000096050055 203807136 /nfs/dbraw/zinc/80/71/36/203807136.db2.gz LIXBFYSCSQQVPO-UHFFFAOYSA-N 1 0 330.476 1.846 40 0 EDABRO O=C1C[C@H](c2cccnc2)C2(CC[NH+](CC3CCOCC3)CC2)N1 ZINC000096061477 203817163 /nfs/dbraw/zinc/81/71/63/203817163.db2.gz AUQXLVCQKFRZRB-QGZVFWFLSA-N 1 0 329.444 1.946 40 0 EDABRO COc1cc(N2CCC[C@@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)ncn1 ZINC000107790507 204247074 /nfs/dbraw/zinc/24/70/74/204247074.db2.gz KHMYICPPSZOJLN-MAUKXSAKSA-N 1 0 348.447 1.193 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525876 204265592 /nfs/dbraw/zinc/26/55/92/204265592.db2.gz NDIOSXSUMRLJBH-FUHWJXTLSA-N 1 0 332.448 1.271 40 0 EDABRO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000276270836 273157191 /nfs/dbraw/zinc/15/71/91/273157191.db2.gz QULCQCPWLNULGV-GGPKGHCWSA-N 1 0 345.487 1.615 40 0 EDABRO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](CC1CC1)C2 ZINC000096051319 275019185 /nfs/dbraw/zinc/01/91/85/275019185.db2.gz PMAZQODNHANVLB-SFHVURJKSA-N 1 0 334.391 1.670 40 0 EDABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CN(C(=O)C(F)(F)F)CC2 ZINC000257199989 277305430 /nfs/dbraw/zinc/30/54/30/277305430.db2.gz ABOBYGVAIMNPQT-JTQLQIEISA-N 1 0 329.326 1.390 40 0 EDABRO C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000015674093 441207774 /nfs/dbraw/zinc/20/77/74/441207774.db2.gz KJRNBPNXZGATER-CVEARBPZSA-N 1 0 328.416 1.939 40 0 biogenic,in-vitro EDABRO COCC[N@@H+]1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 ZINC000096043265 441991680 /nfs/dbraw/zinc/99/16/80/441991680.db2.gz UIVFWZMTUXPXFS-UAGQMJEPSA-N 1 0 333.432 1.166 40 0 EDABRO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)c1 ZINC000096049496 441997405 /nfs/dbraw/zinc/99/74/05/441997405.db2.gz CUJLVTXBAVASJG-KRWDZBQOSA-N 1 0 347.488 1.981 40 0 EDABRO Cc1ccccc1C(=O)N1CCO[C@H]2[C@H](OCC[NH+](C)C)CC[C@@H]21 ZINC000096041493 441988591 /nfs/dbraw/zinc/98/85/91/441988591.db2.gz MMRYWAUVPLSRLK-RCCFBDPRSA-N 1 0 332.444 1.945 40 0 EDABRO Cc1occc1C(=O)N1Cc2nnn(C)c2[C@@H](COCC[NH+](C)C)C1 ZINC000096060679 442008645 /nfs/dbraw/zinc/00/86/45/442008645.db2.gz JHGIWFTWCJBGEN-CYBMUJFWSA-N 1 0 347.419 1.034 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cn1 ZINC000096061450 442009896 /nfs/dbraw/zinc/00/98/96/442009896.db2.gz SMLBVGKUNFJURX-INIZCTEOSA-N 1 0 325.416 1.453 40 0 EDABRO O=C(c1cscn1)N1CC[N@@H+]2C[C@H](Oc3cccnc3)C[C@H]2C1 ZINC000096063767 442011442 /nfs/dbraw/zinc/01/14/42/442011442.db2.gz GFOOOGXBSDJOIR-GXTWGEPZSA-N 1 0 330.413 1.516 40 0 EDABRO Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCOCC3)[C@@H]2C1 ZINC000096065225 442012605 /nfs/dbraw/zinc/01/26/05/442012605.db2.gz NNUYWPWFXDCXBH-QRVBRYPASA-N 1 0 344.455 1.548 40 0 EDABRO COc1cccc(CC(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC000096066899 442014088 /nfs/dbraw/zinc/01/40/88/442014088.db2.gz AOPNFKYPWSFZOV-INIZCTEOSA-N 1 0 342.443 1.654 40 0 EDABRO O=C(c1cccnc1)N1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000096081477 442023341 /nfs/dbraw/zinc/02/33/41/442023341.db2.gz WHECLFOUUUWZBC-ZWKOTPCHSA-N 1 0 328.460 1.571 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(CO[C@H](COc3cccnc3)C2)CC1 ZINC000096106115 442029444 /nfs/dbraw/zinc/02/94/44/442029444.db2.gz CZSLPFDNXZAIDV-INIZCTEOSA-N 1 0 333.432 1.420 40 0 EDABRO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108281 442031468 /nfs/dbraw/zinc/03/14/68/442031468.db2.gz WTGOZQVXFUKBHC-MJGOQNOKSA-N 1 0 332.444 1.476 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000096108307 442031589 /nfs/dbraw/zinc/03/15/89/442031589.db2.gz PKNGQNCZQXRBBH-QAPCUYQASA-N 1 0 330.432 1.335 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000096108275 442032283 /nfs/dbraw/zinc/03/22/83/442032283.db2.gz FVKBXKNGTIOPFV-MJGOQNOKSA-N 1 0 332.444 1.476 40 0 EDABRO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cccc(OC)c3)C[C@@H]2[N@@H+]1C(C)C ZINC000096182708 442055517 /nfs/dbraw/zinc/05/55/17/442055517.db2.gz CFXCFWNNPPSXBN-OIISXLGYSA-N 1 0 345.443 1.365 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)C2CCOCC2)n1 ZINC000096184773 442058146 /nfs/dbraw/zinc/05/81/46/442058146.db2.gz QSDNSMXBEGMIRM-ZWKOTPCHSA-N 1 0 329.444 1.992 40 0 EDABRO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]21 ZINC000096185624 442059274 /nfs/dbraw/zinc/05/92/74/442059274.db2.gz XJSRAUADKBTEGS-RDBSUJKOSA-N 1 0 331.445 1.575 40 0 EDABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1cnn(C)c1 ZINC000096200947 442075886 /nfs/dbraw/zinc/07/58/86/442075886.db2.gz FSDILFASCOPCST-IXDOHACOSA-N 1 0 334.464 1.451 40 0 EDABRO C[C@H]1N(CC[NH+](C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 ZINC000096201534 442076140 /nfs/dbraw/zinc/07/61/40/442076140.db2.gz APNDJRRRQDZEEG-CQSZACIVSA-N 1 0 349.431 1.063 40 0 EDABRO COCCNC(=O)C[C@]12COC[C@H]1C[N@H+](Cc1cc(C)ccc1C)C2 ZINC000096206285 442080509 /nfs/dbraw/zinc/08/05/09/442080509.db2.gz UGGAHXAHMKQOES-QUCCMNQESA-N 1 0 346.471 1.905 40 0 EDABRO O=S(=O)(NC[C@@H]1CCC[C@]2(CC[N@@H+](C3CCC3)C2)O1)C1CC1 ZINC000096207793 442081886 /nfs/dbraw/zinc/08/18/86/442081886.db2.gz PUNLSZIWDIJRIY-GOEBONIOSA-N 1 0 328.478 1.634 40 0 EDABRO COc1ccccc1C[N@@H+]1C[C@H]2OC[C@H](C(=O)N3CCCO3)[C@H]2C1 ZINC000096216856 442088108 /nfs/dbraw/zinc/08/81/08/442088108.db2.gz MROSAFPJZPCBEM-HLLBOEOZSA-N 1 0 332.400 1.306 40 0 EDABRO Cn1cnc(C(=O)N2CCC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096228405 442096083 /nfs/dbraw/zinc/09/60/83/442096083.db2.gz BRGPTFBYZZANJU-CRAIPNDOSA-N 1 0 332.448 1.527 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12)c1ccccc1 ZINC000247414104 442852671 /nfs/dbraw/zinc/85/26/71/442852671.db2.gz PZYFWGSWGLOKHG-GUDVDZBRSA-N 1 0 337.423 1.958 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)s1 ZINC000248101052 442881521 /nfs/dbraw/zinc/88/15/21/442881521.db2.gz NVARQQDMHSMAOX-MRVWCRGKSA-N 1 0 330.475 1.053 40 0 EDABRO Cc1cc(C)cc(CN2CCN3C[C@@H](C(=O)[O-])C[N@H+](C)C[C@@H]3C2)c1 ZINC000248109933 442881836 /nfs/dbraw/zinc/88/18/36/442881836.db2.gz HAAJGIZHSDYHTL-ZWKOTPCHSA-N 1 0 331.460 1.436 40 0 EDABRO COc1ccc(CC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1 ZINC000257293118 443134698 /nfs/dbraw/zinc/13/46/98/443134698.db2.gz QOEOISRLKLEBHH-ZHALLVOQSA-N 1 0 332.444 1.684 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257319647 443145030 /nfs/dbraw/zinc/14/50/30/443145030.db2.gz VTLVJUISKWCEPA-CYBMUJFWSA-N 1 0 349.460 1.368 40 0 EDABRO CC(=O)N[C@@H]1CO[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C[C@@H]2C[C@@]1(C)O ZINC000257279132 443126628 /nfs/dbraw/zinc/12/66/28/443126628.db2.gz OFDIMMMGNHCNLG-MTQWCTHYSA-N 1 0 346.471 1.862 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1O ZINC000257331185 443150521 /nfs/dbraw/zinc/15/05/21/443150521.db2.gz XRSSGQSJTJLCLD-HZPDHXFCSA-N 1 0 345.374 1.244 40 0 EDABRO Cc1nc2ccccn2c1CC(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257332303 443150885 /nfs/dbraw/zinc/15/08/85/443150885.db2.gz XWRUJZNMXBJTBP-SPYBWZPUSA-N 1 0 342.443 1.289 40 0 EDABRO COc1ccc(C[N@@H+]2CCN(C)C[C@H](C(N)=O)C2)c2ccccc12 ZINC000257336906 443153080 /nfs/dbraw/zinc/15/30/80/443153080.db2.gz YQNILUGWFCBNBW-HNNXBMFYSA-N 1 0 327.428 1.697 40 0 EDABRO Cc1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)on1 ZINC000257338342 443154100 /nfs/dbraw/zinc/15/41/00/443154100.db2.gz YWYOOYYXAPWRHI-HOCLYGCPSA-N 1 0 337.420 1.059 40 0 EDABRO O=C(N[C@@H]1CCOC[C@]12CC[N@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000306135692 444286727 /nfs/dbraw/zinc/28/67/27/444286727.db2.gz OXXQELVUKWZOGS-IEBWSBKVSA-N 1 0 344.459 1.868 40 0 EDABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306139010 444287109 /nfs/dbraw/zinc/28/71/09/444287109.db2.gz SNDKCIVLSRPLSL-DZGCQCFKSA-N 1 0 342.399 1.027 40 0 EDABRO CNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306136999 444287288 /nfs/dbraw/zinc/28/72/88/444287288.db2.gz QIRYGLIEDUFPOH-UHFFFAOYSA-N 1 0 340.431 1.261 40 0 EDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000306143750 444288063 /nfs/dbraw/zinc/28/80/63/444288063.db2.gz YLJBKUOXPNDLKE-QAPCUYQASA-N 1 0 344.455 1.949 40 0 EDABRO C[NH+](C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(C2CC2)n1 ZINC000328983291 444433224 /nfs/dbraw/zinc/43/32/24/444433224.db2.gz HGACAMIPUKHOGC-UHFFFAOYSA-N 1 0 340.431 1.006 40 0 EDABRO CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCOC ZINC000409424016 447684552 /nfs/dbraw/zinc/68/45/52/447684552.db2.gz WQRNXFGYPGGSCZ-QWHCGFSZSA-N 1 0 330.425 1.411 40 0 EDABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100731 448685373 /nfs/dbraw/zinc/68/53/73/448685373.db2.gz UXAXLPUBSLEUFS-GOEBONIOSA-N 1 0 330.494 1.677 40 0 EDABRO CCC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4nc(C)cc(C)n4)CC3)[C@@H]2C1 ZINC000585105992 448688007 /nfs/dbraw/zinc/68/80/07/448688007.db2.gz ANXWHWICUBMNMB-JKSUJKDBSA-N 1 0 343.475 1.520 40 0 EDABRO Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1C[NH+](C)C ZINC000585096701 448679749 /nfs/dbraw/zinc/67/97/49/448679749.db2.gz ASDRFSCWLGDQGU-MRXNPFEDSA-N 1 0 342.443 1.933 40 0 EDABRO Cc1ccccc1C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC000585279812 448729020 /nfs/dbraw/zinc/72/90/20/448729020.db2.gz PRYIJSXUUCRMAO-MSOLQXFVSA-N 1 0 332.444 1.079 40 0 EDABRO CNC(=O)[C@]1(C)C[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585284940 448731791 /nfs/dbraw/zinc/73/17/91/448731791.db2.gz KJYKLIFYJKNCGA-YSIASYRMSA-N 1 0 346.471 1.912 40 0 EDABRO COc1ccc([C@H]2CN(C(=O)c3ccnn3C)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257221022 536944448 /nfs/dbraw/zinc/94/44/48/536944448.db2.gz DNESCKYBGQPVMG-BRWVUGGUSA-N 1 0 340.427 1.646 40 0 EDABRO CCc1ccccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000187800484 529607428 /nfs/dbraw/zinc/60/74/28/529607428.db2.gz KQUKFZDDOFELNH-OAHLLOKOSA-N 1 0 339.505 1.553 40 0 EDABRO C[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)[NH+]1CCCC1 ZINC000019456457 202008818 /nfs/dbraw/zinc/00/88/18/202008818.db2.gz HLQBKKIAFJWDAP-NSHDSACASA-N 1 0 344.381 1.991 40 0 EDABRO CCC(CC)C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019500069 202009118 /nfs/dbraw/zinc/00/91/18/202009118.db2.gz WOFCOYARSFZIDQ-CYBMUJFWSA-N 1 0 330.436 1.537 40 0 EDABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000019575860 202013657 /nfs/dbraw/zinc/01/36/57/202013657.db2.gz YSLQVUOJLZKJEI-AEGPPILISA-N 1 0 336.432 1.352 40 0 EDABRO CN(C)Cc1cc(C2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)nn1C ZINC000019710236 202017308 /nfs/dbraw/zinc/01/73/08/202017308.db2.gz DMTOBOIEVOUGQC-OAHLLOKOSA-N 1 0 333.480 1.187 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218585196 241332177 /nfs/dbraw/zinc/33/21/77/241332177.db2.gz MPSWWIWTYUUGEJ-KCQAQPDRSA-N 1 0 329.393 1.234 40 0 EDABRO N[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574378 241332807 /nfs/dbraw/zinc/33/28/07/241332807.db2.gz AMPDDUOBEOSGMI-OWCLPIDISA-N 1 0 336.844 1.936 40 0 EDABRO Cc1ccc(C(=O)NCC[NH+](C)C)c(I)c1 ZINC000225026274 241788295 /nfs/dbraw/zinc/78/82/95/241788295.db2.gz LMCMXWYQODMXQC-UHFFFAOYSA-N 1 0 332.185 1.891 40 0 EDABRO CC(C)C(=O)N[C@H]1CC[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1O ZINC000257205933 244134316 /nfs/dbraw/zinc/13/43/16/244134316.db2.gz BBCMJJYUKYVMJP-IRXDYDNUSA-N 1 0 338.423 1.802 40 0 EDABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2C(=O)CN2CCOCC2)cc1 ZINC000257215751 244167750 /nfs/dbraw/zinc/16/77/50/244167750.db2.gz CRMOPLDFRGWLQZ-GOSISDBHSA-N 1 0 347.459 1.279 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)[nH+]1 ZINC000257223523 244190920 /nfs/dbraw/zinc/19/09/20/244190920.db2.gz DXSXBUSZBWHVLA-KRWDZBQOSA-N 1 0 326.400 1.900 40 0 EDABRO O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257232023 244217170 /nfs/dbraw/zinc/21/71/70/244217170.db2.gz GJBHBKQQMQRQFD-IBGZPJMESA-N 1 0 346.475 1.742 40 0 EDABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C[NH3+])C3)n2)n1 ZINC000072382985 203210694 /nfs/dbraw/zinc/21/06/94/203210694.db2.gz OZKYMRZHWPTNJX-CYBMUJFWSA-N 1 0 326.404 1.507 40 0 EDABRO COCCNc1ccc(C[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC000072387331 203212532 /nfs/dbraw/zinc/21/25/32/203212532.db2.gz HSQGLELZJUBWND-OAHLLOKOSA-N 1 0 344.463 1.723 40 0 EDABRO O=C(CCOc1ccccc1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257240721 244243027 /nfs/dbraw/zinc/24/30/27/244243027.db2.gz HUVINYWWDKMBHV-ZHALLVOQSA-N 1 0 332.444 1.950 40 0 EDABRO Cc1cc(Nc2cccc(CC3CC[NH+](CC(N)=O)CC3)n2)no1 ZINC000072361869 203206636 /nfs/dbraw/zinc/20/66/36/203206636.db2.gz AKFLDZNTDGKAQD-UHFFFAOYSA-N 1 0 329.404 1.861 40 0 EDABRO C[N@@H+]1CCCC[C@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 ZINC000072367360 203208093 /nfs/dbraw/zinc/20/80/93/203208093.db2.gz XPCGEJMDLZDZKK-GOSISDBHSA-N 1 0 347.463 1.095 40 0 EDABRO Cc1noc2nc(C)cc(C(=O)N[C@@H]3CC[C@@H]([NH+]4CCCC4)[C@@H]3O)c12 ZINC000257249820 244266292 /nfs/dbraw/zinc/26/62/92/244266292.db2.gz JJXFXIWDUWUDPP-IIAWOOMASA-N 1 0 344.415 1.557 40 0 EDABRO CC[NH+]1CCC(N2CCN(C)[C@@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250438 244267342 /nfs/dbraw/zinc/26/73/42/244267342.db2.gz JMNSJGKEBMCNFK-LJQANCHMSA-N 1 0 344.503 1.819 40 0 EDABRO CN(C)C(=O)[C@@H]1CN(CC2=Cc3ccccc3OC2)CC[N@H+](C)C1 ZINC000257270769 244375895 /nfs/dbraw/zinc/37/58/95/244375895.db2.gz MVPACKHUWOIGBO-KRWDZBQOSA-N 1 0 329.444 1.414 40 0 EDABRO CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000257276433 244395429 /nfs/dbraw/zinc/39/54/29/244395429.db2.gz NTSYFIDHVUEHLJ-QGZVFWFLSA-N 1 0 347.459 1.500 40 0 EDABRO O=C(NCc1ccc(CO)cc1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257284900 244417716 /nfs/dbraw/zinc/41/77/16/244417716.db2.gz PETWIRQQWOIAQT-GOSISDBHSA-N 1 0 343.402 1.413 40 0 EDABRO Cn1nnc2c1[C@@H](COCc1ccncc1)C[N@H+](C[C@@H]1CCOC1)C2 ZINC000096045492 203803532 /nfs/dbraw/zinc/80/35/32/203803532.db2.gz VZWVRSRBTLVYAF-JKSUJKDBSA-N 1 0 343.431 1.363 40 0 EDABRO COc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncn1 ZINC000096196856 203861050 /nfs/dbraw/zinc/86/10/50/203861050.db2.gz HLTFKFOCBGDKKS-UHFFFAOYSA-N 1 0 328.420 1.340 40 0 EDABRO Cc1ccc2c(n1)N(CCn1cccn1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000107215407 204227469 /nfs/dbraw/zinc/22/74/69/204227469.db2.gz MZSVYJDFXQDCFQ-QGZVFWFLSA-N 1 0 341.459 1.945 40 0 EDABRO Cc1cccc(C[N@H+]2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 ZINC000107254597 204230389 /nfs/dbraw/zinc/23/03/89/204230389.db2.gz SBLOFDLAPSCSAR-YOEHRIQHSA-N 1 0 325.416 1.608 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108524424 204266333 /nfs/dbraw/zinc/26/63/33/204266333.db2.gz RPWQAUBGYUDRMD-UHFFFAOYSA-N 1 0 339.443 1.908 40 0 EDABRO c1cn2c(n1)CN(Cc1ccccn1)C[C@H](C[NH+]1CCOCC1)C2 ZINC000096188501 285539123 /nfs/dbraw/zinc/53/91/23/285539123.db2.gz RCNRURAJGCTCAI-INIZCTEOSA-N 1 0 327.432 1.242 40 0 EDABRO COCCN1c2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC000104788185 277228468 /nfs/dbraw/zinc/22/84/68/277228468.db2.gz FSRXMJQNBZYEBW-UHFFFAOYSA-N 1 0 345.443 1.101 40 0 EDABRO Cc1ncc(CNc2ccccc2N2CC[NH+](CCO)CC2)cn1 ZINC000057823024 441137071 /nfs/dbraw/zinc/13/70/71/441137071.db2.gz TVFCHYABWLPPPP-UHFFFAOYSA-N 1 0 327.432 1.511 40 0 EDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)C1CCCC1 ZINC000019404437 441257699 /nfs/dbraw/zinc/25/76/99/441257699.db2.gz VRHFNUACZKXJHG-ZDUSSCGKSA-N 1 0 328.420 1.210 40 0 EDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)[C@@H]1CC=CCC1 ZINC000019404431 441257739 /nfs/dbraw/zinc/25/77/39/441257739.db2.gz POHXILHRTPYKRY-KGLIPLIRSA-N 1 0 340.431 1.376 40 0 EDABRO COCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3cccs3)[C@H]2C1 ZINC000096043492 441992772 /nfs/dbraw/zinc/99/27/72/441992772.db2.gz ZVSRHOYJAAFNNZ-BZUAXINKSA-N 1 0 338.473 1.738 40 0 EDABRO C/C=C/C(=O)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000096024212 441981107 /nfs/dbraw/zinc/98/11/07/441981107.db2.gz AFTRBYLYEUBBLO-FARCUNLSSA-N 1 0 340.427 1.685 40 0 EDABRO O=C(c1ccc(F)cc1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC000096038544 441984254 /nfs/dbraw/zinc/98/42/54/441984254.db2.gz SWSUPDCKRYVBBK-JKSUJKDBSA-N 1 0 342.374 1.593 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096040902 441988721 /nfs/dbraw/zinc/98/87/21/441988721.db2.gz HOZBBSGGMXYCIF-OAGGEKHMSA-N 1 0 339.399 1.632 40 0 EDABRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096056397 442003532 /nfs/dbraw/zinc/00/35/32/442003532.db2.gz WDINDWQBAADGLD-BZUAXINKSA-N 1 0 338.473 1.975 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 ZINC000096058291 442006608 /nfs/dbraw/zinc/00/66/08/442006608.db2.gz ZLUSDXIQPMCJJO-IXDOHACOSA-N 1 0 348.447 1.201 40 0 EDABRO Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCC[NH+](C)C)C2)o1 ZINC000096060664 442008320 /nfs/dbraw/zinc/00/83/20/442008320.db2.gz QYZOYNUXRLBMRS-AWEZNQCLSA-N 1 0 333.436 1.394 40 0 EDABRO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096069798 442017277 /nfs/dbraw/zinc/01/72/77/442017277.db2.gz OULAWYYDOZYMPN-DOTOQJQBSA-N 1 0 329.444 1.898 40 0 EDABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC000096090644 442026175 /nfs/dbraw/zinc/02/61/75/442026175.db2.gz XETPJFNCRYBGDU-IAGOWNOFSA-N 1 0 343.452 1.834 40 0 EDABRO CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NCc2cccnc2)CCCCC1 ZINC000096113092 442037706 /nfs/dbraw/zinc/03/77/06/442037706.db2.gz JUQIPYSNZAQGMD-INIZCTEOSA-N 1 0 344.459 1.611 40 0 biogenic,in-vitro EDABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cc1 ZINC000096184162 442057797 /nfs/dbraw/zinc/05/77/97/442057797.db2.gz UEOUSYLRIBPGBQ-DLBZAZTESA-N 1 0 326.400 1.809 40 0 EDABRO COCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@@H]2C ZINC000096201616 442076635 /nfs/dbraw/zinc/07/66/35/442076635.db2.gz XUDZMDYWTYSVLE-MRXNPFEDSA-N 1 0 347.459 1.618 40 0 EDABRO COCCC(=O)N1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202187 442077532 /nfs/dbraw/zinc/07/75/32/442077532.db2.gz FZTABOIGWOPOTB-KRWDZBQOSA-N 1 0 338.473 1.836 40 0 EDABRO CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccncc3)C2)O1 ZINC000096208354 442083960 /nfs/dbraw/zinc/08/39/60/442083960.db2.gz VROXISMHOMLJKR-HZPDHXFCSA-N 1 0 339.461 1.144 40 0 EDABRO CNC(=O)C[NH+]1CCC2(CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000096217496 442087998 /nfs/dbraw/zinc/08/79/98/442087998.db2.gz VAHWBCGVWTZEOC-UHFFFAOYSA-N 1 0 347.434 1.890 40 0 EDABRO O=C(NCc1ccccn1)[C@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC000096218539 442089253 /nfs/dbraw/zinc/08/92/53/442089253.db2.gz ZDWIHNIFYYMFNY-FGTMMUONSA-N 1 0 345.443 1.071 40 0 EDABRO Cc1noc(C)c1CN1C[C@@]2(CC[N@@H+](Cc3cnn(C)c3)C2)CC1=O ZINC000096239397 442099882 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Cc1cccc(OC[C@@]2(O)COCC[N@H+](CC3(O)CCCC3)C2)c1 ZINC000585287261 485898472 /nfs/dbraw/zinc/89/84/72/485898472.db2.gz LQYSZOCHNDGURV-IBGZPJMESA-N 1 0 335.444 1.742 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218580059 486154970 /nfs/dbraw/zinc/15/49/70/486154970.db2.gz PACMMUHJVBRHGH-KCQAQPDRSA-N 1 0 329.393 1.234 40 0 EDABRO O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292204 202003172 /nfs/dbraw/zinc/00/31/72/202003172.db2.gz BCASGFXUQBYAPV-OAHLLOKOSA-N 1 0 339.399 1.965 40 0 EDABRO COc1ccccc1C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019568865 202012189 /nfs/dbraw/zinc/01/21/89/202012189.db2.gz IICGBNCAHCAQDX-CYBMUJFWSA-N 1 0 338.411 1.761 40 0 EDABRO CN1CCC(CNC(=O)[C@H]2OCOc3ccccc32)([NH+](C)C)CC1 ZINC000036740675 202330738 /nfs/dbraw/zinc/33/07/38/202330738.db2.gz CQLOCLNHTCVQRB-INIZCTEOSA-N 1 0 333.432 1.236 40 0 EDABRO Cn1cc(C[NH2+][C@@H]2[C@@H](c3cccnc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000077261947 202391835 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O=C(NC1CC1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](CCOCc2ccccc2)C1 ZINC000107710927 204246045 /nfs/dbraw/zinc/24/60/45/204246045.db2.gz NJPVUTPDOFOTOT-BHIYHBOVSA-N 1 0 344.455 1.961 40 0 EDABRO Cc1cccnc1C[N@@H+]1C[C@H](C(=O)NCc2ccco2)[C@H]2OCC[C@H]21 ZINC000108528775 204265921 /nfs/dbraw/zinc/26/59/21/204265921.db2.gz OPIYMNAHEIRZEM-CGTJXYLNSA-N 1 0 341.411 1.889 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 ZINC000049169721 204370415 /nfs/dbraw/zinc/37/04/15/204370415.db2.gz RYPZAYAHAJVMGB-HNNXBMFYSA-N 1 0 341.415 1.932 40 0 biogenic,in-vitro EDABRO CN1CC[NH+](C[C@H]2OC[C@@H]3CCN(C(=O)c4ccoc4)C[C@@H]32)CC1 ZINC000096056262 277108720 /nfs/dbraw/zinc/10/87/20/277108720.db2.gz MYJXHNNWTXNGNE-BHYGNILZSA-N 1 0 333.432 1.004 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079413142 280272274 /nfs/dbraw/zinc/27/22/74/280272274.db2.gz AKKLOIKWYLJFON-CVEARBPZSA-N 1 0 333.432 1.887 40 0 EDABRO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000012326147 441130459 /nfs/dbraw/zinc/13/04/59/441130459.db2.gz DAJHBMOQLNEMEZ-MRXNPFEDSA-N 1 0 336.407 1.404 40 0 EDABRO COCCC[NH2+]Cc1cc(-c2ccccc2)cn2c1nn(C)c2=O ZINC000012337326 441131414 /nfs/dbraw/zinc/13/14/14/441131414.db2.gz DRNHCDTYTCYBGJ-UHFFFAOYSA-N 1 0 326.400 1.826 40 0 EDABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000013673624 441163405 /nfs/dbraw/zinc/16/34/05/441163405.db2.gz GGDREPWGEBJEPS-CQSZACIVSA-N 1 0 341.477 1.136 40 0 EDABRO O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2)N1CCOCC1 ZINC000108526282 441458794 /nfs/dbraw/zinc/45/87/94/441458794.db2.gz HZNYWWJHQOOTIH-PKOBYXMFSA-N 1 0 329.444 1.933 40 0 EDABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21)N1CCCCO1 ZINC000096038638 441985592 /nfs/dbraw/zinc/98/55/92/441985592.db2.gz YGDBDBAUFDAUJF-BRWVUGGUSA-N 1 0 331.416 1.330 40 0 EDABRO O=C(NC1CC1)[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2OCC[C@H]21 ZINC000096041168 441987983 /nfs/dbraw/zinc/98/79/83/441987983.db2.gz PQULBHUVLFCWGO-RLFYNMQTSA-N 1 0 344.411 1.531 40 0 EDABRO O=C(NCCc1ccncc1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](C2CCC2)C1 ZINC000096041314 441988703 /nfs/dbraw/zinc/98/87/03/441988703.db2.gz MGBHEHHVXCBDAS-CGTJXYLNSA-N 1 0 329.444 1.772 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21)N1CCCCO1 ZINC000096057285 442004925 /nfs/dbraw/zinc/00/49/25/442004925.db2.gz YPWSFWAJEOPPKS-INMHGKMJSA-N 1 0 334.416 1.918 40 0 EDABRO c1ccc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)nc1 ZINC000096057934 442006745 /nfs/dbraw/zinc/00/67/45/442006745.db2.gz JRQZWEWCIWNVSZ-IPMKNSEASA-N 1 0 331.460 1.926 40 0 EDABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccccn4)C3)C2=O)cn1 ZINC000096074092 442020308 /nfs/dbraw/zinc/02/03/08/442020308.db2.gz UFQBNENLFIZBLK-SFHVURJKSA-N 1 0 325.416 1.834 40 0 EDABRO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096108084 442031974 /nfs/dbraw/zinc/03/19/74/442031974.db2.gz CGDNXDUFQOTVRI-HZPDHXFCSA-N 1 0 346.456 1.455 40 0 EDABRO Cc1nc(CO[C@H]2CO[C@@]3(CCN(C(=O)C[NH+](C)C)C3)C2)cs1 ZINC000096107789 442032393 /nfs/dbraw/zinc/03/23/93/442032393.db2.gz OVIUWOJFLJNDPF-ZBFHGGJFSA-N 1 0 339.461 1.290 40 0 EDABRO Cc1csc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)CN(C)C(=O)C2)n1 ZINC000096113462 442037801 /nfs/dbraw/zinc/03/78/01/442037801.db2.gz UJQRZDQAIZMORD-CHWSQXEVSA-N 1 0 338.477 1.969 40 0 biogenic,in-vitro EDABRO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH2+]CC2 ZINC000096144922 442043738 /nfs/dbraw/zinc/04/37/38/442043738.db2.gz VMMUZDGXSVCYHJ-UHFFFAOYSA-N 1 0 346.456 1.404 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cn1 ZINC000096159120 442049432 /nfs/dbraw/zinc/04/94/32/442049432.db2.gz VEBQAZVCYZHRGX-UHFFFAOYSA-N 1 0 340.427 1.818 40 0 EDABRO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185168 442059916 /nfs/dbraw/zinc/05/99/16/442059916.db2.gz WTHJPVJGYQDMMW-YOEHRIQHSA-N 1 0 338.473 1.993 40 0 EDABRO O=C(c1ccnnc1)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188373 442066045 /nfs/dbraw/zinc/06/60/45/442066045.db2.gz ZGPYAODLRYKHRF-CQSZACIVSA-N 1 0 326.404 1.041 40 0 EDABRO C[NH+](C)Cc1cncc2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000096189453 442068464 /nfs/dbraw/zinc/06/84/64/442068464.db2.gz NACKOBJFGOTLKG-UHFFFAOYSA-N 1 0 337.470 1.952 40 0 EDABRO CC[NH+](CC)Cc1cnc2n1CCN(C(=O)N1CCOCC1)CC2 ZINC000096196838 442068823 /nfs/dbraw/zinc/06/88/23/442068823.db2.gz HQLYYSAZQCZMAB-UHFFFAOYSA-N 1 0 335.452 1.035 40 0 EDABRO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CN(C(=O)N(C)C)CCO2)C1 ZINC000096226726 442095344 /nfs/dbraw/zinc/09/53/44/442095344.db2.gz NRBFCQFUAOANIX-QGZVFWFLSA-N 1 0 336.436 1.640 40 0 EDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)Cc1ccccn1)C2 ZINC000096201065 442074975 /nfs/dbraw/zinc/07/49/75/442074975.db2.gz QZINYZFDSDISNK-UHFFFAOYSA-N 1 0 327.432 1.703 40 0 EDABRO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200913 442075202 /nfs/dbraw/zinc/07/52/02/442075202.db2.gz VUBLEQPEUZTHML-SJORKVTESA-N 1 0 327.432 1.511 40 0 EDABRO COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228781 442095849 /nfs/dbraw/zinc/09/58/49/442095849.db2.gz FJHQJJFXCSKMDO-FQEVSTJZSA-N 1 0 346.471 1.817 40 0 EDABRO C[NH+](C)CCN1C(=O)CC[C@]12CCCN(C(=O)C1CC=CC1)CC2 ZINC000096217756 442089091 /nfs/dbraw/zinc/08/90/91/442089091.db2.gz NPTHDVUEJCLEEN-IBGZPJMESA-N 1 0 333.476 1.888 40 0 EDABRO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)cn1 ZINC000096248719 442102269 /nfs/dbraw/zinc/10/22/69/442102269.db2.gz CUXGDSBEINZXHO-MSOLQXFVSA-N 1 0 344.459 1.011 40 0 EDABRO c1ncc(N2CCOC[C@]3(CCC[N@@H+](C[C@H]4CCOC4)C3)C2)cn1 ZINC000247928465 442873430 /nfs/dbraw/zinc/87/34/30/442873430.db2.gz BMMGXVROIKTCOL-AEFFLSMTSA-N 1 0 332.448 1.432 40 0 EDABRO Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccnn4C)[C@H]3C2)o1 ZINC000248048808 442879494 /nfs/dbraw/zinc/87/94/94/442879494.db2.gz QISTXZQWRYZTQT-FRFSOERESA-N 1 0 344.415 1.198 40 0 EDABRO Cc1cccc(S(=O)(=O)N2CC3(C2)CC[C@H](C[NH+](C)C)CO3)c1 ZINC000248117057 442882702 /nfs/dbraw/zinc/88/27/02/442882702.db2.gz LUUNPEYKOLAMPY-OAHLLOKOSA-N 1 0 338.473 1.726 40 0 EDABRO CNc1ncccc1CN1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257287994 443132563 /nfs/dbraw/zinc/13/25/63/443132563.db2.gz PSICQRGWQVOOTG-INIZCTEOSA-N 1 0 327.432 1.934 40 0 EDABRO Cc1cc2nc(C3CC[NH+](CC(=O)N4CCOCC4)CC3)ccn2n1 ZINC000257308098 443140656 /nfs/dbraw/zinc/14/06/56/443140656.db2.gz TVKABDCGZMDQEA-UHFFFAOYSA-N 1 0 343.431 1.076 40 0 EDABRO Cc1cc(-c2nccn2C)nc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)n1 ZINC000257313148 443143549 /nfs/dbraw/zinc/14/35/49/443143549.db2.gz URFFCUKJGRBEQH-CYBMUJFWSA-N 1 0 328.420 1.063 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)c2cc(C3CCCCC3)no2)CC[N@H+](C)C1 ZINC000257314851 443143744 /nfs/dbraw/zinc/14/37/44/443143744.db2.gz UYUCOZIEPIPVCY-AWEZNQCLSA-N 1 0 348.447 1.472 40 0 EDABRO O=C(c1ccncc1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257228551 443125425 /nfs/dbraw/zinc/12/54/25/443125425.db2.gz FUGMFEDEKBVYLK-OAHLLOKOSA-N 1 0 325.359 1.390 40 0 EDABRO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@H+](CC3CC3)C[C@H]12)c1ccccc1 ZINC000245482586 443231378 /nfs/dbraw/zinc/23/13/78/443231378.db2.gz RVUDWODJNVETRS-DJIMGWMZSA-N 1 0 336.457 1.322 40 0 EDABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000306135184 444286762 /nfs/dbraw/zinc/28/67/62/444286762.db2.gz OKHYOGIAVDUJEQ-YOEHRIQHSA-N 1 0 330.428 1.559 40 0 EDABRO CC(C)n1cnc([C@H]2C[NH2+]C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141830 444287656 /nfs/dbraw/zinc/28/76/56/444287656.db2.gz WHQLDHXIBWUOKN-APWZRJJASA-N 1 0 339.443 1.965 40 0 EDABRO CCC[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3cccnc3)n12 ZINC000306144111 444288383 /nfs/dbraw/zinc/28/83/83/444288383.db2.gz YWHOMKDZUPFRJQ-UHFFFAOYSA-N 1 0 326.448 1.987 40 0 EDABRO C[N@@H+]1C[C@@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093818 448675625 /nfs/dbraw/zinc/67/56/25/448675625.db2.gz HOOAWFIUEDXYEO-INIZCTEOSA-N 1 0 327.432 1.528 40 0 EDABRO Cn1cc(C(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c(C(F)F)n1 ZINC000585108265 448689137 /nfs/dbraw/zinc/68/91/37/448689137.db2.gz KPNVMANGMXYNAN-BMIGLBTASA-N 1 0 328.363 1.008 40 0 EDABRO OCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000585267188 448715118 /nfs/dbraw/zinc/71/51/18/448715118.db2.gz GWFSMPZQIAGXRY-OALUTQOASA-N 1 0 347.386 1.821 40 0 EDABRO COc1ccc2cc(C[N@H+](C)C[C@@H]3COC[C@@H](O)[C@H]3O)ccc2c1 ZINC000585290829 448736117 /nfs/dbraw/zinc/73/61/17/448736117.db2.gz HCCGZRFSPUADLC-QRQLOZEOSA-N 1 0 331.412 1.648 40 0 EDABRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000257282621 535974830 /nfs/dbraw/zinc/97/48/30/535974830.db2.gz OUNNNFWASDNNFJ-SFHVURJKSA-N 1 0 334.464 1.597 40 0 EDABRO CCn1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCC(=O)N3CCOC)cn1 ZINC000257245435 536057531 /nfs/dbraw/zinc/05/75/31/536057531.db2.gz IPMNGENXQGWQNI-DLBZAZTESA-N 1 0 334.464 1.752 40 0 EDABRO C[C@H](c1cc(=O)[nH]c(N(C)CC[NH+](C)C)n1)n1cnc2ccccc21 ZINC000019458300 202008764 /nfs/dbraw/zinc/00/87/64/202008764.db2.gz TZFFEMQMVYNUAM-CYBMUJFWSA-N 1 0 340.431 1.727 40 0 EDABRO C[NH+](C)CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000038752650 202406897 /nfs/dbraw/zinc/40/68/97/202406897.db2.gz RRJYGCQKGAMYPJ-UHFFFAOYSA-N 1 0 333.841 1.393 40 0 EDABRO CC(C)CN1CCN2[C@@H](C1)C[N@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253398475 201186850 /nfs/dbraw/zinc/18/68/50/201186850.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 1 0 331.504 1.895 40 0 biogenic,in-vitro EDABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2csc(C)n2)c1 ZINC000257201456 244121436 /nfs/dbraw/zinc/12/14/36/244121436.db2.gz AHUOEXNPZKGWLU-MRXNPFEDSA-N 1 0 330.457 1.958 40 0 EDABRO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1ccccc1)CC2 ZINC000257209475 244147812 /nfs/dbraw/zinc/14/78/12/244147812.db2.gz BQNIFEBPANOVQF-LJQANCHMSA-N 1 0 346.471 1.899 40 0 EDABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257221402 244186150 /nfs/dbraw/zinc/18/61/50/244186150.db2.gz DOXRNTIGAVVKJQ-GOSISDBHSA-N 1 0 334.464 1.408 40 0 EDABRO CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCC[NH2+]C3)o2)CC1 ZINC000257232847 244220550 /nfs/dbraw/zinc/22/05/50/244220550.db2.gz GMRCXGCYOXCVLN-GFCCVEGCSA-N 1 0 328.438 1.066 40 0 EDABRO CC(=O)N1CCC[C@](O)(C[NH+]2CCC(c3nc(C)no3)CC2)CC1 ZINC000072367444 203207168 /nfs/dbraw/zinc/20/71/68/203207168.db2.gz CYIXQUJGGCGUNN-QGZVFWFLSA-N 1 0 336.436 1.321 40 0 EDABRO c1ccc(-c2cc(C[NH2+]CCN3CCOCC3)c3nnnn3c2)cc1 ZINC000072392313 203214045 /nfs/dbraw/zinc/21/40/45/203214045.db2.gz DEMZATDPHDRTHL-UHFFFAOYSA-N 1 0 338.415 1.213 40 0 EDABRO Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257253318 244275626 /nfs/dbraw/zinc/27/56/26/244275626.db2.gz JYKRSUHAJJDWCJ-MRXNPFEDSA-N 1 0 345.403 1.290 40 0 EDABRO COc1ccc(C(=O)NCc2c[nH]c([C@@H]3CC[N@H+](C)C3)n2)cc1F ZINC000257257231 244284994 /nfs/dbraw/zinc/28/49/94/244284994.db2.gz KOQWYWCUSGKDGM-GFCCVEGCSA-N 1 0 332.379 1.907 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3cccs3)C[C@H]21)N1CCOCC1 ZINC000096040716 203799985 /nfs/dbraw/zinc/79/99/85/203799985.db2.gz OTZOUVAQVOTMBQ-BMFZPTHFSA-N 1 0 336.457 1.301 40 0 EDABRO Cc1cc(C)cc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)c1 ZINC000104278618 204103411 /nfs/dbraw/zinc/10/34/11/204103411.db2.gz JTUXIWPSJOUDBQ-INIZCTEOSA-N 1 0 344.411 1.774 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccncc2)C1 ZINC000107710987 204244722 /nfs/dbraw/zinc/24/47/22/204244722.db2.gz QUNOLZFTACZKED-BZUAXINKSA-N 1 0 339.399 1.490 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccccn2)cc(-c2ccncc2)n1 ZINC000329003409 257906859 /nfs/dbraw/zinc/90/68/59/257906859.db2.gz KMROXUHUQDZXCB-UHFFFAOYSA-N 1 0 349.442 1.363 40 0 EDABRO C[NH+](C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 ZINC000306125471 257917836 /nfs/dbraw/zinc/91/78/36/257917836.db2.gz CSBXZYNJDVZDME-RDTXWAMCSA-N 1 0 349.431 1.504 40 0 EDABRO CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112772 274173892 /nfs/dbraw/zinc/17/38/92/274173892.db2.gz JFXQWPWWPGELCM-LBPRGKRZSA-N 1 0 335.429 1.653 40 0 biogenic,in-vitro EDABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CN(C(=O)C(F)(F)F)CC2 ZINC000257199990 277305543 /nfs/dbraw/zinc/30/55/43/277305543.db2.gz ABOBYGVAIMNPQT-SNVBAGLBSA-N 1 0 329.326 1.390 40 0 EDABRO O=C(N/C(=C\c1ccccc1)C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000005767565 440969064 /nfs/dbraw/zinc/96/90/64/440969064.db2.gz BTYHARCYXAXIJA-SDXDJHTJSA-N 1 0 335.407 1.889 40 0 EDABRO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1ccc(C)s1)C2 ZINC000097952777 441147362 /nfs/dbraw/zinc/14/73/62/441147362.db2.gz LAIDIMIYWNNVBY-GOSISDBHSA-N 1 0 349.500 1.959 40 0 EDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 ZINC000019576024 441258385 /nfs/dbraw/zinc/25/83/85/441258385.db2.gz MRBIULBTMNMENR-USXIJHARSA-N 1 0 331.464 1.106 40 0 EDABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1cnc(N(C)C)nc1 ZINC000019712371 441260281 /nfs/dbraw/zinc/26/02/81/441260281.db2.gz ROYBAZXFRZPBTR-DLBZAZTESA-N 1 0 331.464 1.908 40 0 EDABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O1 ZINC000096043036 441991310 /nfs/dbraw/zinc/99/13/10/441991310.db2.gz OXCRJYYMPCOIAC-RYQLBKOJSA-N 1 0 329.444 1.929 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cn1 ZINC000096043299 441991667 /nfs/dbraw/zinc/99/16/67/441991667.db2.gz PMRNPGAMLFFSGX-IXDOHACOSA-N 1 0 332.448 1.173 40 0 EDABRO CC(C)NC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096038674 441985841 /nfs/dbraw/zinc/98/58/41/441985841.db2.gz LMKOTHHDTKZKNA-IEBWSBKVSA-N 1 0 346.427 1.921 40 0 EDABRO COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096057189 442005022 /nfs/dbraw/zinc/00/50/22/442005022.db2.gz CIARGCGYYQPDAN-OAGGEKHMSA-N 1 0 338.473 1.595 40 0 EDABRO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccncc2)C1 ZINC000096057714 442004650 /nfs/dbraw/zinc/00/46/50/442004650.db2.gz MZCJTDSDWICXOM-CGTJXYLNSA-N 1 0 341.411 1.970 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21)N1CCCC1 ZINC000096057214 442004713 /nfs/dbraw/zinc/00/47/13/442004713.db2.gz DURSQUHEQPZVHR-KURKYZTESA-N 1 0 329.444 1.789 40 0 EDABRO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccc(F)cc1)OCC2 ZINC000096059730 442007666 /nfs/dbraw/zinc/00/76/66/442007666.db2.gz YBFIWKLDRQHYRH-INIZCTEOSA-N 1 0 346.406 1.514 40 0 EDABRO Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](CC2CCOCC2)CC3)cn1 ZINC000096061537 442010119 /nfs/dbraw/zinc/01/01/19/442010119.db2.gz CONZULOVBPCHOK-QGZVFWFLSA-N 1 0 346.475 1.627 40 0 EDABRO c1cnc(NCc2cncc3c2CC[N@H+](C[C@H]2CCOC2)C3)nc1 ZINC000096067446 442016281 /nfs/dbraw/zinc/01/62/81/442016281.db2.gz KAEWLTBXFFLALA-CQSZACIVSA-N 1 0 325.416 1.878 40 0 EDABRO Cc1oncc1C(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096108486 442033282 /nfs/dbraw/zinc/03/32/82/442033282.db2.gz LAQJEVPVWITPET-APWZRJJASA-N 1 0 341.411 1.861 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)c1cscn1 ZINC000096108494 442033936 /nfs/dbraw/zinc/03/39/36/442033936.db2.gz DYDDCYIPPCKEBI-PBHICJAKSA-N 1 0 344.440 1.417 40 0 EDABRO O=C(NCc1cccnc1)[C@]12COC[C@H]1C[N@H+](Cc1nccs1)C2 ZINC000096110072 442036035 /nfs/dbraw/zinc/03/60/35/442036035.db2.gz VUQCEFVIEHGNTI-RHSMWYFYSA-N 1 0 344.440 1.303 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@H]2OC[C@@H](CC(=O)N3CCCO3)[C@H]2C1 ZINC000096219557 442090595 /nfs/dbraw/zinc/09/05/95/442090595.db2.gz QWMAQGZJOVUPDQ-MGPQQGTHSA-N 1 0 337.445 1.452 40 0 EDABRO O=C(COc1ccccc1)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096220082 442092156 /nfs/dbraw/zinc/09/21/56/442092156.db2.gz GDDXQURQSFCFMP-FUHWJXTLSA-N 1 0 330.428 1.635 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393239 442044402 /nfs/dbraw/zinc/04/44/02/442044402.db2.gz LPRTVGCQHOXMGS-HOTGVXAUSA-N 1 0 333.432 1.745 40 0 EDABRO O=C(c1cnccn1)N1CCC2(CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000096157658 442048537 /nfs/dbraw/zinc/04/85/37/442048537.db2.gz SFBGTYLCUIJRMU-HNNXBMFYSA-N 1 0 330.432 1.441 40 0 EDABRO Cc1ccsc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC000096185625 442059289 /nfs/dbraw/zinc/05/92/89/442059289.db2.gz DPFGIIDGOJUJGU-ILXRZTDVSA-N 1 0 345.472 1.883 40 0 EDABRO O=C(c1cnccn1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188370 442065571 /nfs/dbraw/zinc/06/55/71/442065571.db2.gz WMIUAJPFZCVCPP-AWEZNQCLSA-N 1 0 326.404 1.041 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCCC[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096203132 442079623 /nfs/dbraw/zinc/07/96/23/442079623.db2.gz IVUCKNKLUUDDGL-IBGZPJMESA-N 1 0 329.444 1.845 40 0 EDABRO O=S(=O)(N[C@H]1CCO[C@]2(CC[N@@H+](C3CCCC3)C2)C1)C1CC1 ZINC000096207304 442082146 /nfs/dbraw/zinc/08/21/46/442082146.db2.gz OBRBJVKVTXZYHS-XJKSGUPXSA-N 1 0 328.478 1.634 40 0 EDABRO O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096208864 442084216 /nfs/dbraw/zinc/08/42/16/442084216.db2.gz KBDUVTHDXFEVRO-FUHWJXTLSA-N 1 0 332.419 1.937 40 0 EDABRO C[NH+](C)CC(=O)N1Cc2nc(C(=O)NCc3cccs3)oc2C1 ZINC000096266025 442109332 /nfs/dbraw/zinc/10/93/32/442109332.db2.gz LNZNGJRSKOKTSB-UHFFFAOYSA-N 1 0 334.401 1.070 40 0 EDABRO COC[C@@H]1CC2(C[N@@H+]1Cc1csc(C)n1)CCN(C(N)=O)CC2 ZINC000096240364 442099256 /nfs/dbraw/zinc/09/92/56/442099256.db2.gz KHZHYOQUHVFYHC-AWEZNQCLSA-N 1 0 338.477 1.833 40 0 EDABRO C(O[C@@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1)C1CCOCC1 ZINC000247922469 442873239 /nfs/dbraw/zinc/87/32/39/442873239.db2.gz CQKHPOOMRLDVFP-QGZVFWFLSA-N 1 0 325.449 1.842 40 0 EDABRO C[NH+](C)CC(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000248059795 442879239 /nfs/dbraw/zinc/87/92/39/442879239.db2.gz YVSFAMWXHQDWPP-CQSZACIVSA-N 1 0 328.478 1.078 40 0 EDABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 ZINC000257290535 443133462 /nfs/dbraw/zinc/13/34/62/443133462.db2.gz QDISTQUFOXHAHQ-QGZVFWFLSA-N 1 0 343.431 1.927 40 0 EDABRO O=C(CCOc1ccccc1F)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257296222 443135383 /nfs/dbraw/zinc/13/53/83/443135383.db2.gz RBUAIMKJQXXJMT-GOSISDBHSA-N 1 0 336.407 1.654 40 0 EDABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(=O)CCOc1ccccc1 ZINC000257284909 443130103 /nfs/dbraw/zinc/13/01/03/443130103.db2.gz PEUUMPUJAOGUJW-MRXNPFEDSA-N 1 0 333.432 1.123 40 0 EDABRO COc1nc(OC)nc(N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)n1 ZINC000257335024 443151876 /nfs/dbraw/zinc/15/18/76/443151876.db2.gz YIJJTNINRWCRCM-CQSZACIVSA-N 1 0 344.419 1.687 40 0 EDABRO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)Cc1ccccn1)C2 ZINC000306124566 444285309 /nfs/dbraw/zinc/28/53/09/444285309.db2.gz BTQMNKTZNOZLKR-KRWDZBQOSA-N 1 0 343.471 1.974 40 0 EDABRO CN1CCN(c2ncc3c(n2)CC[C@H]([NH2+]Cc2nccs2)C3)CC1 ZINC000306130983 444286352 /nfs/dbraw/zinc/28/63/52/444286352.db2.gz JUATWALSFWFUHT-AWEZNQCLSA-N 1 0 344.488 1.332 40 0 EDABRO CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000306134248 444286595 /nfs/dbraw/zinc/28/65/95/444286595.db2.gz NGZMOGIMQPFWCL-HNNXBMFYSA-N 1 0 330.436 1.557 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](CNS(C)(=O)=O)[C@H]3C2)s1 ZINC000306136204 444286835 /nfs/dbraw/zinc/28/68/35/444286835.db2.gz PMOVYHQXPWVRKR-MRVWCRGKSA-N 1 0 330.475 1.053 40 0 EDABRO CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306138450 444287117 /nfs/dbraw/zinc/28/71/17/444287117.db2.gz RXSNBASTOSGVNY-OIISXLGYSA-N 1 0 348.516 1.027 40 0 EDABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139061 444287309 /nfs/dbraw/zinc/28/73/09/444287309.db2.gz SOHKUPKMVOUKHZ-HOCLYGCPSA-N 1 0 334.427 1.983 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccco1 ZINC000306141918 444287723 /nfs/dbraw/zinc/28/77/23/444287723.db2.gz WJZGSAZEZLYNTM-UMVBOHGHSA-N 1 0 340.445 1.153 40 0 EDABRO C[NH+](C)CCNc1nc(NCCc2ccccn2)cc(C2CC2)n1 ZINC000328994423 444437539 /nfs/dbraw/zinc/43/75/39/444437539.db2.gz JDLYFKQACIELST-UHFFFAOYSA-N 1 0 326.448 1.221 40 0 EDABRO CC(C)C[NH+]1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289462 448159772 /nfs/dbraw/zinc/15/97/72/448159772.db2.gz LKPOSCOSDYEXHG-ZWKOTPCHSA-N 1 0 330.476 1.043 40 0 biogenic,in-vitro EDABRO C[N@@H+]1C[C@@H](COc2cccnc2)CC12CN(c1ncc(F)cn1)C2 ZINC000585093747 448675274 /nfs/dbraw/zinc/67/52/74/448675274.db2.gz BUWNTZARUCKZNP-ZDUSSCGKSA-N 1 0 329.379 1.600 40 0 EDABRO C[N@@H+]1C[C@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093857 448675473 /nfs/dbraw/zinc/67/54/73/448675473.db2.gz KCYUKIRVGDHIQI-OAHLLOKOSA-N 1 0 327.432 1.528 40 0 EDABRO O=C(C1CC[NH2+]CC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269460 448718141 /nfs/dbraw/zinc/71/81/41/448718141.db2.gz VIVJQESSFBSKNA-GOSISDBHSA-N 1 0 336.407 1.558 40 0 EDABRO Cn1ncc(C(F)(F)F)c1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752805 452501929 /nfs/dbraw/zinc/50/19/29/452501929.db2.gz ROIASVMPAURRSE-LBPRGKRZSA-N 1 0 332.370 1.782 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)c1ccccc1 ZINC000019369065 202005875 /nfs/dbraw/zinc/00/58/75/202005875.db2.gz IHTVYRSRZCSGBA-CQSZACIVSA-N 1 0 336.399 1.333 40 0 EDABRO C[C@H](Cc1ccccn1)NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000019457020 202008604 /nfs/dbraw/zinc/00/86/04/202008604.db2.gz GITIQSKMMSYTGM-MRXNPFEDSA-N 1 0 344.503 1.935 40 0 EDABRO O=S(=O)(NCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000044503917 202523432 /nfs/dbraw/zinc/52/34/32/202523432.db2.gz YPOKCRUQVLBGSE-UHFFFAOYSA-N 1 0 333.251 1.727 40 0 EDABRO O=C(c1cncs1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257200711 244119190 /nfs/dbraw/zinc/11/91/90/244119190.db2.gz AEOWMTXQBMRWSZ-CYBMUJFWSA-N 1 0 331.388 1.451 40 0 EDABRO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@@H+]2C2CCOCC2)n1 ZINC000257244258 244253189 /nfs/dbraw/zinc/25/31/89/244253189.db2.gz IKPGJZAFNRQSRH-SFHVURJKSA-N 1 0 332.448 1.977 40 0 EDABRO CNC(=O)C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257234817 244226384 /nfs/dbraw/zinc/22/63/84/244226384.db2.gz GVFLRHJWZFUPIN-MRXNPFEDSA-N 1 0 330.432 1.447 40 0 EDABRO C[C@]12C[C@@H](O)[C@@H](O)C[NH2+][C@@H]1CCCC(=O)N2Cc1ccccc1F ZINC000257237314 244231897 /nfs/dbraw/zinc/23/18/97/244231897.db2.gz HFXYJJDZZAXENW-HPFXQQBRSA-N 1 0 336.407 1.181 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnccn3)CCO2)[nH+]1 ZINC000257238076 244236301 /nfs/dbraw/zinc/23/63/01/244236301.db2.gz HJLYYWOBMRKICX-INIZCTEOSA-N 1 0 327.388 1.460 40 0 EDABRO Cc1cc(CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)ncn1 ZINC000257255983 244280595 /nfs/dbraw/zinc/28/05/95/244280595.db2.gz KJQQXMIUVRAKEX-SFHVURJKSA-N 1 0 346.475 1.819 40 0 EDABRO Cc1ccsc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1 ZINC000257255476 244281219 /nfs/dbraw/zinc/28/12/19/244281219.db2.gz KHQHIWMRALAVRY-AWEZNQCLSA-N 1 0 337.489 1.455 40 0 EDABRO Cc1cc([C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)nc(C)n1 ZINC000257258730 244291541 /nfs/dbraw/zinc/29/15/41/244291541.db2.gz KVGFORNEBUREQZ-QGZVFWFLSA-N 1 0 332.448 1.868 40 0 EDABRO Cc1cccc(C[C@@H]2COCCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000257267775 244367495 /nfs/dbraw/zinc/36/74/95/244367495.db2.gz MISCLGXOQQNIGZ-KRWDZBQOSA-N 1 0 331.460 1.893 40 0 EDABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)Cc3cccnc3)CC2)OC[C@]1(C)O ZINC000257274551 244388227 /nfs/dbraw/zinc/38/82/27/244388227.db2.gz NLNSBCHLUOIRKM-WMZOPIPTSA-N 1 0 347.459 1.087 40 0 EDABRO CN(C)c1cc(CC[C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)ccn1 ZINC000257277071 244394427 /nfs/dbraw/zinc/39/44/27/244394427.db2.gz NWHZTUYYFXRFCG-QGZVFWFLSA-N 1 0 349.475 1.323 40 0 EDABRO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[NH2+]C2 ZINC000257289692 244431102 /nfs/dbraw/zinc/43/11/02/244431102.db2.gz PZUYFOMWCRBZLB-HNNXBMFYSA-N 1 0 341.390 1.586 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000257332176 244551814 /nfs/dbraw/zinc/55/18/14/244551814.db2.gz XWCBMXPTIJDRBN-UHFFFAOYSA-N 1 0 331.460 1.710 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)n1 ZINC000096043529 203804660 /nfs/dbraw/zinc/80/46/60/203804660.db2.gz PQFVHUTZWWZQPX-KZNAEPCWSA-N 1 0 345.443 1.781 40 0 EDABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000107191940 204226670 /nfs/dbraw/zinc/22/66/70/204226670.db2.gz JHRBPOVCHQZQNP-UYAOXDASSA-N 1 0 343.471 1.975 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCO1 ZINC000107713841 204245957 /nfs/dbraw/zinc/24/59/57/204245957.db2.gz WRIQIBKUGIXPSO-KURKYZTESA-N 1 0 330.428 1.935 40 0 EDABRO COc1ccccc1C[N@@H+]1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 ZINC000108536616 204267123 /nfs/dbraw/zinc/26/71/23/204267123.db2.gz UVEPEDJRIGOZQU-LZLYRXPVSA-N 1 0 346.427 1.839 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000108536539 204267960 /nfs/dbraw/zinc/26/79/60/204267960.db2.gz LHKIMAVKYRDURP-PKOBYXMFSA-N 1 0 346.475 1.580 40 0 EDABRO O=C1Nc2ccccc2[C@]12[NH2+]C[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000011851491 284943874 /nfs/dbraw/zinc/94/38/74/284943874.db2.gz JDMJJGKWPZNOCL-GQWAEJPESA-N 1 0 347.374 1.239 40 0 EDABRO CCN(CC)S(=O)(=O)c1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000072210731 257690274 /nfs/dbraw/zinc/69/02/74/257690274.db2.gz FBOQQRRLINTANI-UHFFFAOYSA-N 1 0 332.857 1.175 40 0 EDABRO CO[C@]12C[C@@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@H]2O ZINC000006472698 277360940 /nfs/dbraw/zinc/36/09/40/277360940.db2.gz YAPXMAINSYHBRI-NIKGAXFTSA-O 1 0 330.404 1.691 40 0 EDABRO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000257250326 278125128 /nfs/dbraw/zinc/12/51/28/278125128.db2.gz JMBWDLWUQMNWEB-GOSISDBHSA-N 1 0 345.447 1.261 40 0 EDABRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000004238047 440913564 /nfs/dbraw/zinc/91/35/64/440913564.db2.gz ZOMNJDXYLURUPP-UHFFFAOYSA-N 1 0 329.491 1.781 40 0 EDABRO COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2cccc(Cl)c2C)n1 ZINC000009938574 441108368 /nfs/dbraw/zinc/10/83/68/441108368.db2.gz CQGJUQHSISTJGN-UHFFFAOYSA-N 1 0 349.778 1.906 40 0 EDABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012362918 441132341 /nfs/dbraw/zinc/13/23/41/441132341.db2.gz SATONLMCLJGEKX-AWEZNQCLSA-N 1 0 342.443 1.846 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cn1 ZINC000096049513 441997915 /nfs/dbraw/zinc/99/79/15/441997915.db2.gz MMQOMOBAVHSJRG-GOSISDBHSA-N 1 0 342.447 1.329 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)o1 ZINC000096057493 442005684 /nfs/dbraw/zinc/00/56/84/442005684.db2.gz IZCNDHFHXITYJN-BRWVUGGUSA-N 1 0 334.416 1.569 40 0 EDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)N(C)C)CCC2 ZINC000096055924 442003487 /nfs/dbraw/zinc/00/34/87/442003487.db2.gz WRHKJDQCDMUKDN-YOEHRIQHSA-N 1 0 325.453 1.654 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(c2cccnc2)C(=O)CO3)cn1 ZINC000096070216 442017798 /nfs/dbraw/zinc/01/77/98/442017798.db2.gz NMDSNEHFZWDESJ-UHFFFAOYSA-N 1 0 341.415 1.213 40 0 EDABRO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccsc4)CCO[C@@H]3C2)cn1 ZINC000096108235 442031571 /nfs/dbraw/zinc/03/15/71/442031571.db2.gz MODGDPBYGZCGOK-JKSUJKDBSA-N 1 0 346.456 1.455 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)CCc1ccccc1)CC[C@H]2OC ZINC000096108548 442033375 /nfs/dbraw/zinc/03/33/75/442033375.db2.gz VLOPBHJVTSOGBT-IPMKNSEASA-N 1 0 346.471 1.813 40 0 EDABRO O=C(NCc1cccnc1)[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096110070 442034583 /nfs/dbraw/zinc/03/45/83/442034583.db2.gz MIRBJLWPRALMIH-CRAIPNDOSA-N 1 0 343.452 1.908 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)NCc2ccco2)C1 ZINC000096111150 442036322 /nfs/dbraw/zinc/03/63/22/442036322.db2.gz GVYUBKUYTZQNIL-CXAGYDPISA-N 1 0 347.440 1.809 40 0 EDABRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cnn(C)c4)CC[N@@H+]3C2)n1 ZINC000096110694 442036524 /nfs/dbraw/zinc/03/65/24/442036524.db2.gz ZPBMFJWMBZOQNU-RTBURBONSA-N 1 0 341.459 1.599 40 0 EDABRO Cc1noc(C[C@H]2CO[C@@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]23)n1 ZINC000096219456 442090336 /nfs/dbraw/zinc/09/03/36/442090336.db2.gz BOZFWENHMDQUJN-JJRVBVJISA-N 1 0 343.383 1.796 40 0 EDABRO COCC(=O)N[C@H]1COCCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096219136 442090454 /nfs/dbraw/zinc/09/04/54/442090454.db2.gz HPAZKEOHBKDXTQ-INIZCTEOSA-N 1 0 336.432 1.722 40 0 EDABRO O=C1NC[C@@H](COc2cccnc2)[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096219134 442090610 /nfs/dbraw/zinc/09/06/10/442090610.db2.gz TXUFNOPADISDAF-HNAYVOBHSA-N 1 0 338.411 1.494 40 0 EDABRO CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000079412879 442045262 /nfs/dbraw/zinc/04/52/62/442045262.db2.gz VOZLTXSTLXMXDS-AWEZNQCLSA-N 1 0 333.432 1.983 40 0 EDABRO O=C(c1cccnc1)N1CC[N@@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183499 442055813 /nfs/dbraw/zinc/05/58/13/442055813.db2.gz JALGTKZIGVFIPC-ZWKOTPCHSA-N 1 0 338.411 1.592 40 0 EDABRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(F)c2)N1CCN1CCOCC1 ZINC000096183967 442057229 /nfs/dbraw/zinc/05/72/29/442057229.db2.gz DYBKSJNAOMYFQO-ZWKOTPCHSA-N 1 0 347.434 1.333 40 0 EDABRO C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000096183823 442058100 /nfs/dbraw/zinc/05/81/00/442058100.db2.gz OWDKTMDNKVPPKX-DLBZAZTESA-N 1 0 340.427 1.545 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)cn1 ZINC000096187295 442063975 /nfs/dbraw/zinc/06/39/75/442063975.db2.gz BXPQEBYIIGUHGC-BZUAXINKSA-N 1 0 334.420 1.096 40 0 EDABRO Cc1cnc(C(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)cn1 ZINC000096197226 442070056 /nfs/dbraw/zinc/07/00/56/442070056.db2.gz NMBMYTQZEMRDTH-UHFFFAOYSA-N 1 0 326.404 1.233 40 0 EDABRO O=C(CC1CC1)NCc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096197050 442070069 /nfs/dbraw/zinc/07/00/69/442070069.db2.gz BOYLRYSAVFOVFN-OAHLLOKOSA-N 1 0 332.448 1.194 40 0 EDABRO Cn1cc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)cn1 ZINC000096199537 442072694 /nfs/dbraw/zinc/07/26/94/442072694.db2.gz NECQLVSNZLJEPB-MRXNPFEDSA-N 1 0 325.416 1.453 40 0 EDABRO CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)O1 ZINC000096206746 442080295 /nfs/dbraw/zinc/08/02/95/442080295.db2.gz NZKBTZHJFWOUNH-HUUCEWRRSA-N 1 0 344.502 1.811 40 0 EDABRO CNC(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]2O1 ZINC000096218845 442088850 /nfs/dbraw/zinc/08/88/50/442088850.db2.gz HWHAFXVUJRAFRS-QILLFSRXSA-N 1 0 325.412 1.960 40 0 EDABRO Cc1ccccc1S(=O)(=O)N1CC2(C1)CC[C@@H](C[NH+](C)C)CO2 ZINC000248103745 442881784 /nfs/dbraw/zinc/88/17/84/442881784.db2.gz IDTXAQALTYEERA-HNNXBMFYSA-N 1 0 338.473 1.726 40 0 EDABRO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000257293103 443134735 /nfs/dbraw/zinc/13/47/35/443134735.db2.gz QOCPVYXRZWEHJA-KRWDZBQOSA-N 1 0 345.447 1.261 40 0 EDABRO O=C(C1=Cc2ccccc2OC1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257325553 443148365 /nfs/dbraw/zinc/14/83/65/443148365.db2.gz WTLZIWSRDIVIHL-LJQANCHMSA-N 1 0 328.412 1.522 40 0 EDABRO O=C(c1cc[nH]n1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257312507 443142563 /nfs/dbraw/zinc/14/25/63/443142563.db2.gz UOHMKDXGBJEUQL-OAHLLOKOSA-N 1 0 342.390 1.498 40 0 EDABRO Cc1cc(C(=O)N2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)on1 ZINC000257311386 443142601 /nfs/dbraw/zinc/14/26/01/443142601.db2.gz UJEYRAGVZGNNRZ-UHFFFAOYSA-N 1 0 343.431 1.930 40 0 EDABRO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)C1CCCC1 ZINC000257317988 443145201 /nfs/dbraw/zinc/14/52/01/443145201.db2.gz VMAQJCFTCZRPCB-IAGOWNOFSA-N 1 0 336.407 1.651 40 0 EDABRO O=C(Cc1cccnc1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257283878 443130353 /nfs/dbraw/zinc/13/03/53/443130353.db2.gz PAGYVXNBNGETRB-RTBURBONSA-N 1 0 337.423 1.254 40 0 EDABRO CC(=O)n1ccc2cc(C[C@@H]3COCC[N@H+](CCC(N)=O)C3)ccc21 ZINC000257326286 443149465 /nfs/dbraw/zinc/14/94/65/443149465.db2.gz WWQJVQNWOOUBHB-INIZCTEOSA-N 1 0 343.427 1.668 40 0 EDABRO CCOc1ncccc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257341188 443155365 /nfs/dbraw/zinc/15/53/65/443155365.db2.gz ZJFGTCHVSUWOSU-BRWVUGGUSA-N 1 0 347.459 1.930 40 0 EDABRO Cn1nccc1[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCCN(C)C2=O ZINC000306125528 444285263 /nfs/dbraw/zinc/28/52/63/444285263.db2.gz CTHKIIMXHXQZSG-SUMWQHHRSA-N 1 0 345.472 1.715 40 0 EDABRO Cn1cccc1C(=O)NC[C@H]1Cn2nccc2C[N@H+](CC2CCC2)C1 ZINC000306127757 444285776 /nfs/dbraw/zinc/28/57/76/444285776.db2.gz GGKXQXHWGFGROK-MRXNPFEDSA-N 1 0 341.459 1.884 40 0 EDABRO CC(C)n1cnc([C@H]2C[NH2+]C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306133236 444286064 /nfs/dbraw/zinc/28/60/64/444286064.db2.gz MGFNRAPIDQLVLY-APWZRJJASA-N 1 0 339.443 1.965 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccco2)cc(-c2ccccn2)n1 ZINC000329048469 444457568 /nfs/dbraw/zinc/45/75/68/444457568.db2.gz UKMKKPIJCVPMAO-UHFFFAOYSA-N 1 0 338.415 1.561 40 0 EDABRO CC(C)(C)OC(=O)NC1CN([C@H](C(=[NH2+])NO)c2cccs2)C1 ZINC000409440514 447684436 /nfs/dbraw/zinc/68/44/36/447684436.db2.gz LIAUNKHOFCLHIM-NSHDSACASA-N 1 0 326.422 1.954 40 0 EDABRO COc1cccc(C(=O)N2CC3(C2)C[C@H](CO)C[N@@H+]3CC2CC2)c1 ZINC000585093788 448675564 /nfs/dbraw/zinc/67/55/64/448675564.db2.gz GCKVJBLUYCRGAA-HNNXBMFYSA-N 1 0 330.428 1.614 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000585269207 448716786 /nfs/dbraw/zinc/71/67/86/448716786.db2.gz LOSNEDKYBLBLBK-IBGZPJMESA-N 1 0 332.444 1.303 40 0 EDABRO O=S(=O)(NCC[C@H]1Cn2cccc2C[N@@H+](C2CCC2)C1)C1CC1 ZINC000585095240 448678736 /nfs/dbraw/zinc/67/87/36/448678736.db2.gz JDZPWERZECRLKH-AWEZNQCLSA-N 1 0 337.489 1.944 40 0 EDABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585098576 448683993 /nfs/dbraw/zinc/68/39/93/448683993.db2.gz ZLACSNDHFLFTCO-AWEZNQCLSA-N 1 0 342.399 1.588 40 0 EDABRO O[C@H]1CC[N@@H+](C2CCOCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585285185 448731710 /nfs/dbraw/zinc/73/17/10/448731710.db2.gz CQUMVRPENIUMFS-IRXDYDNUSA-N 1 0 343.370 1.320 40 0 EDABRO COCCN1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585289641 448734133 /nfs/dbraw/zinc/73/41/33/448734133.db2.gz TUAYHWOMCFCJAD-DFQSSKMNSA-N 1 0 348.487 1.920 40 0 EDABRO COc1ccc2c(c1)cc(C1CC[NH+]([C@@H]3COC[C@H]3O)CC1)[nH]c2=O ZINC000257226539 537015560 /nfs/dbraw/zinc/01/55/60/537015560.db2.gz FLBDQUMSDGBUNX-QZTJIDSGSA-N 1 0 344.411 1.888 40 0 EDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(S(=O)(=O)c2cccs2)C1 ZINC000096188236 282141545 /nfs/dbraw/zinc/14/15/45/282141545.db2.gz ACRQMUVRBRYLOZ-LBPRGKRZSA-N 1 0 340.474 1.327 40 0 EDABRO CC(C)CNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000012220155 201832809 /nfs/dbraw/zinc/83/28/09/201832809.db2.gz FXTKSEXHGARECT-KBXCAEBGSA-N 1 0 335.448 1.863 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1ccccn1 ZINC000019400358 202007241 /nfs/dbraw/zinc/00/72/41/202007241.db2.gz AXHYTVRWSQWVNT-CYBMUJFWSA-N 1 0 336.399 1.333 40 0 EDABRO C[C@@]1(CNc2nc(CCC[NH+]3CCOCC3)cc(=O)[nH]2)CCCO1 ZINC000019461248 202009151 /nfs/dbraw/zinc/00/91/51/202009151.db2.gz JWAIANKETBYHHH-KRWDZBQOSA-N 1 0 336.436 1.016 40 0 EDABRO NC(=O)C[N@@H+]1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000072363505 283288983 /nfs/dbraw/zinc/28/89/83/283288983.db2.gz FVVGVPNXTWBVMD-CQSZACIVSA-N 1 0 325.416 1.960 40 0 EDABRO CC[N@@H+]1CCN2[C@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 ZINC000253398856 201186901 /nfs/dbraw/zinc/18/69/01/201186901.db2.gz HSTLHISDCFVMGA-KRWDZBQOSA-N 1 0 330.476 1.997 40 0 biogenic,in-vitro EDABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000022440954 212298014 /nfs/dbraw/zinc/29/80/14/212298014.db2.gz RZFAIKCBLNHNNW-ZSYWTGECSA-N 1 0 342.524 1.435 40 0 EDABRO Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(C[NH3+])c2)n1 ZINC000257208843 244144550 /nfs/dbraw/zinc/14/45/50/244144550.db2.gz BNUIZCHRGGPHRN-UHFFFAOYSA-N 1 0 338.415 1.574 40 0 EDABRO CCCN1CCN(C(=O)c2cncc([C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000257223189 244190750 /nfs/dbraw/zinc/19/07/50/244190750.db2.gz DWHOJEFZJQHDGT-HNNXBMFYSA-N 1 0 331.464 1.454 40 0 EDABRO COCCNc1ccc(C[C@@H]2CCC[N@@H+](C3CCOCC3)C2)nn1 ZINC000072387297 203211661 /nfs/dbraw/zinc/21/16/61/203211661.db2.gz DUDFRJKNGBGPLF-HNNXBMFYSA-N 1 0 334.464 1.968 40 0 EDABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000257233175 244221254 /nfs/dbraw/zinc/22/12/54/244221254.db2.gz GOCTWJAAJCTPEH-MRXNPFEDSA-N 1 0 329.444 1.336 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360902 203206148 /nfs/dbraw/zinc/20/61/48/203206148.db2.gz CIOBILFLYBKSTK-CYBMUJFWSA-N 1 0 326.404 1.541 40 0 EDABRO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072361649 203206601 /nfs/dbraw/zinc/20/66/01/203206601.db2.gz ZHZPXSFIZZIGOS-CQSZACIVSA-N 1 0 328.420 1.799 40 0 EDABRO CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3cccn3C)CC2)OC[C@]1(C)O ZINC000257241456 244244493 /nfs/dbraw/zinc/24/44/93/244244493.db2.gz HYBZVAHOQVLIPJ-ROUUACIJSA-N 1 0 349.475 1.378 40 0 EDABRO C[NH+](C)[C@H]1[C@H](NC(=O)c2ccccc2)C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257248218 244263010 /nfs/dbraw/zinc/26/30/10/244263010.db2.gz JCRNNSFHKZXLFX-YRXWBPOGSA-N 1 0 340.423 1.927 40 0 EDABRO NC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257248943 244263074 /nfs/dbraw/zinc/26/30/74/244263074.db2.gz JFXHZSQQFZTRTE-LLVKDONJSA-N 1 0 342.428 1.664 40 0 EDABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3ccccn3)CC2)ncn1 ZINC000257266772 244364283 /nfs/dbraw/zinc/36/42/83/244364283.db2.gz MEMJJBNORHLYFZ-CQSZACIVSA-N 1 0 325.416 1.815 40 0 EDABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@H]3COC[C@@H]3O)CC2)n1 ZINC000257268051 244366857 /nfs/dbraw/zinc/36/68/57/244366857.db2.gz MJZYBDUQJMFZTP-RYUDHWBXSA-N 1 0 331.338 1.743 40 0 EDABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257273549 244386805 /nfs/dbraw/zinc/38/68/05/244386805.db2.gz NHCHOCLNJSCXGE-HKUYNNGSSA-N 1 0 348.443 1.383 40 0 EDABRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000257275303 244390855 /nfs/dbraw/zinc/39/08/55/244390855.db2.gz NOUCLAFHXSGPOO-LJQANCHMSA-N 1 0 342.443 1.996 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)[C@@H](c2ccncc2)CC(=O)N3C)cn1 ZINC000096199980 203861940 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CC(C)[C@@H]([NH3+])C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012089001 441126526 /nfs/dbraw/zinc/12/65/26/441126526.db2.gz ZVRMPUDBLPLPRN-MRXNPFEDSA-N 1 0 330.432 1.373 40 0 EDABRO CCN(CC)c1ccc(NC(=O)C[NH2+]CCN2CCOCC2)c(C)c1 ZINC000057698731 441127398 /nfs/dbraw/zinc/12/73/98/441127398.db2.gz UIECGGNOUNXPKV-UHFFFAOYSA-N 1 0 348.491 1.702 40 0 EDABRO Cc1nc2cccnc2n1C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000012114697 441127796 /nfs/dbraw/zinc/12/77/96/441127796.db2.gz RPHOHKMNLOWIEM-UHFFFAOYSA-N 1 0 343.431 1.235 40 0 EDABRO O=C([C@H]1C[N@H+](Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCCO1 ZINC000097953842 441147533 /nfs/dbraw/zinc/14/75/33/441147533.db2.gz CUBNRPBXVKWGBW-YESZJQIVSA-N 1 0 331.416 1.473 40 0 EDABRO COCC[NH+]1CCC(c2nc(N(C)C)ncc2-c2cncnc2)CC1 ZINC000019695254 441258663 /nfs/dbraw/zinc/25/86/63/441258663.db2.gz NAMXBQUOXNOJSJ-UHFFFAOYSA-N 1 0 342.447 1.825 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cn1 ZINC000096049629 441998369 /nfs/dbraw/zinc/99/83/69/441998369.db2.gz 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ZINC000096071817 442019121 /nfs/dbraw/zinc/01/91/21/442019121.db2.gz DPWWRLPFZJOTLK-UHFFFAOYSA-N 1 0 330.432 1.146 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)n1 ZINC000096108310 442032048 /nfs/dbraw/zinc/03/20/48/442032048.db2.gz FMCALYZYUCCVQQ-APWZRJJASA-N 1 0 344.459 1.644 40 0 EDABRO CO[C@@H]1CCN(C(=O)c2ncccn2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108619 442033435 /nfs/dbraw/zinc/03/34/35/442033435.db2.gz DYSPNQJUWSCPAR-ARFHVFGLSA-N 1 0 342.399 1.431 40 0 EDABRO COc1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c1 ZINC000096110952 442036367 /nfs/dbraw/zinc/03/63/67/442036367.db2.gz BOLLBWLPCXCDQS-PXAZEXFGSA-N 1 0 338.835 1.999 40 0 EDABRO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)cn1 ZINC000096220700 442091641 /nfs/dbraw/zinc/09/16/41/442091641.db2.gz QOHWHEGSNVQIBK-FUHWJXTLSA-N 1 0 332.448 1.241 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)o1 ZINC000096220115 442091770 /nfs/dbraw/zinc/09/17/70/442091770.db2.gz LXTLPZCNTFACRO-HNNXBMFYSA-N 1 0 342.461 1.508 40 0 EDABRO C[C@H]([NH3+])C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413061 442045723 /nfs/dbraw/zinc/04/57/23/442045723.db2.gz AZMXTTOLMYGCJD-GOEBONIOSA-N 1 0 345.443 1.983 40 0 EDABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cc1 ZINC000096184521 442057119 /nfs/dbraw/zinc/05/71/19/442057119.db2.gz OGNOIKRUKYFORZ-SJORKVTESA-N 1 0 336.457 1.836 40 0 EDABRO O=C(c1ccncc1F)N1CC[C@@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184468 442057663 /nfs/dbraw/zinc/05/76/63/442057663.db2.gz XHQDBYCYNCBCPY-IAGOWNOFSA-N 1 0 333.407 1.936 40 0 EDABRO Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CC[N@@H+]3CC3CCCC3)O2)cn1 ZINC000096183737 442057875 /nfs/dbraw/zinc/05/78/75/442057875.db2.gz LRMYSTCHOBKCBP-OKZBNKHCSA-N 1 0 344.459 1.823 40 0 EDABRO O=C(c1ccno1)N1CC[C@@H]2O[C@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096186095 442060633 /nfs/dbraw/zinc/06/06/33/442060633.db2.gz OSHQIIIQTMFWIU-JYJNAYRXSA-N 1 0 349.431 1.549 40 0 EDABRO C[NH+]1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)CC1 ZINC000096186728 442063007 /nfs/dbraw/zinc/06/30/07/442063007.db2.gz NFKGHNNPSFGPDE-SQNIBIBYSA-N 1 0 346.475 1.961 40 0 EDABRO COCC(=O)N1CCC2(C[C@@H](COC)[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096216097 442087659 /nfs/dbraw/zinc/08/76/59/442087659.db2.gz UCLREFBSOGORHA-KRWDZBQOSA-N 1 0 347.459 1.558 40 0 EDABRO C[NH+](C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccnc1)CC2 ZINC000096217736 442088347 /nfs/dbraw/zinc/08/83/47/442088347.db2.gz YLHAIUKNHROLII-IBGZPJMESA-N 1 0 344.459 1.631 40 0 EDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000096218475 442089378 /nfs/dbraw/zinc/08/93/78/442089378.db2.gz FPZQAKXTZOARIG-HNAYVOBHSA-N 1 0 346.427 1.385 40 0 EDABRO C[NH+](C)CC(=O)N1Cc2nc(C(=O)NCc3ccccc3)oc2C1 ZINC000096266028 442109819 /nfs/dbraw/zinc/10/98/19/442109819.db2.gz MNKXYAYCTNOJHJ-UHFFFAOYSA-N 1 0 328.372 1.008 40 0 EDABRO COCC[N@@H+]1CCOC[C@]2(CN(C(=O)c3ccc(C)cc3)CCO2)C1 ZINC000096228910 442096411 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Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)n1 ZINC000257306034 443139465 /nfs/dbraw/zinc/13/94/65/443139465.db2.gz SSQAHSGAOFVOOE-INIZCTEOSA-N 1 0 328.416 1.993 40 0 EDABRO Cc1nc([C@]2(C)CCC[N@@H+](C3CCOCC3)C2)nc2c1CC(=O)N2C ZINC000257311281 443142210 /nfs/dbraw/zinc/14/22/10/443142210.db2.gz UITPSJBFCYURAY-LJQANCHMSA-N 1 0 344.459 1.836 40 0 EDABRO Cc1cnc(C(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)cn1 ZINC000257335158 443152883 /nfs/dbraw/zinc/15/28/83/443152883.db2.gz YIXNDCJOQCSHHB-OAHLLOKOSA-N 1 0 326.404 1.580 40 0 EDABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)[nH+]1 ZINC000257338092 443154311 /nfs/dbraw/zinc/15/43/11/443154311.db2.gz YVTQNGWDUBSKAD-QGZVFWFLSA-N 1 0 333.432 1.783 40 0 EDABRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000257344774 443156905 /nfs/dbraw/zinc/15/69/05/443156905.db2.gz ZYQCNJNIGXPOGZ-ZIAGYGMSSA-N 1 0 326.466 1.664 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000242723056 443211903 /nfs/dbraw/zinc/21/19/03/443211903.db2.gz YCKAMNPVQMGNAF-ZACQAIPSSA-N 1 0 331.393 1.991 40 0 EDABRO O[C@@H](COCc1ccccc1F)C[NH+]1CCC(n2cncn2)CC1 ZINC000303257188 444236056 /nfs/dbraw/zinc/23/60/56/444236056.db2.gz IXNLODCTZZTLKO-MRXNPFEDSA-N 1 0 334.395 1.632 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306125618 444284991 /nfs/dbraw/zinc/28/49/91/444284991.db2.gz CVZXZEPLYIHNFI-OLZOCXBDSA-N 1 0 327.388 1.068 40 0 EDABRO Cc1cnc(CNC(=O)[C@@H]2C[N@H+](CC3CC3)Cc3ncn(C)c32)cn1 ZINC000306124739 444285375 /nfs/dbraw/zinc/28/53/75/444285375.db2.gz BXZDCELRFBLVJR-OAHLLOKOSA-N 1 0 340.431 1.144 40 0 EDABRO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)C)C2 ZINC000585105001 448688476 /nfs/dbraw/zinc/68/84/76/448688476.db2.gz XPICIKPTUZCNSU-GOSISDBHSA-N 1 0 335.448 1.998 40 0 EDABRO O=C(C1CC(O)C1)N1CC[N@@H+]2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107887 448688937 /nfs/dbraw/zinc/68/89/37/448688937.db2.gz AXPAEWNQPBUIPB-MYBQVCMBSA-N 1 0 348.418 1.398 40 0 EDABRO 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O=S(=O)(C1CC1)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202163 442077816 /nfs/dbraw/zinc/07/78/16/442077816.db2.gz GDXVCHADKNXNHP-MRXNPFEDSA-N 1 0 340.445 1.296 40 0 EDABRO CC(C)CN1c2ccccc2[C@]2(C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC000096243462 442100681 /nfs/dbraw/zinc/10/06/81/442100681.db2.gz GBNBIGZWGQKBBX-BEFAXECRSA-N 1 0 329.444 1.625 40 0 EDABRO O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@H]1O2 ZINC000096253470 442104849 /nfs/dbraw/zinc/10/48/49/442104849.db2.gz FXFQCMGWOUXIGJ-JKIFEVAISA-N 1 0 330.384 1.853 40 0 EDABRO COc1ccc2c3c1O[C@]1(CO)C(OC)=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000253504857 443072236 /nfs/dbraw/zinc/07/22/36/443072236.db2.gz MBCREQDZNVPNRN-VOBQZIQPSA-N 1 0 341.407 1.787 40 0 biogenic,in-vitro EDABRO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)C[NH+](C)C)CC2 ZINC000257290365 443133259 /nfs/dbraw/zinc/13/32/59/443133259.db2.gz QCRJLRRAVDMAQI-KRWDZBQOSA-N 1 0 349.450 1.974 40 0 EDABRO C[N@H+](CCC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1cccnc1 ZINC000257302810 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COCC[NH+]1CCC2(CC1)CN(C(=O)c1c(C)noc1C)CCO2 ZINC000585101273 448685323 /nfs/dbraw/zinc/68/53/23/448685323.db2.gz PJSIMWOHWGYFFN-UHFFFAOYSA-N 1 0 337.420 1.245 40 0 EDABRO COCCN1C[C@]2(CC1=O)COCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585104426 448686626 /nfs/dbraw/zinc/68/66/26/448686626.db2.gz MZFKRZPBZATHBV-QFBILLFUSA-N 1 0 332.444 1.945 40 0 EDABRO Cn1ccc(CC(=O)N2C[C@@H]3CC[N@H+](Cc4cccnc4)[C@@H]3C2)n1 ZINC000585107677 448688212 /nfs/dbraw/zinc/68/82/12/448688212.db2.gz QSDPFIPKNNNTBJ-DOTOQJQBSA-N 1 0 325.416 1.091 40 0 EDABRO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000585178737 448715356 /nfs/dbraw/zinc/71/53/56/448715356.db2.gz BOVAVMLAPPDALC-KRWDZBQOSA-N 1 0 340.427 1.261 40 0 EDABRO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095090 448676977 /nfs/dbraw/zinc/67/69/77/448676977.db2.gz DYWJUSNLFSWZKZ-MRXNPFEDSA-N 1 0 349.475 1.594 40 0 EDABRO CC[NH+](CC)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289849 448734651 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1.486 40 0 EDABRO Cc1nccn1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000036752978 213117012 /nfs/dbraw/zinc/11/70/12/213117012.db2.gz VMKRUGLBPVEKDU-MRXNPFEDSA-N 1 0 327.432 1.615 40 0 EDABRO Cc1nc(C2(C)CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)cc(=O)[nH]1 ZINC000072367344 216175236 /nfs/dbraw/zinc/17/52/36/216175236.db2.gz ZLOPLCFTAZNYDV-SFHVURJKSA-N 1 0 332.448 1.903 40 0 EDABRO C[C@@]1(c2n[nH]cc2C(N)=O)CCC[N@H+](CCOc2ccccc2)C1 ZINC000072388830 216190204 /nfs/dbraw/zinc/19/02/04/216190204.db2.gz BYQSSGQBIRFASL-GOSISDBHSA-N 1 0 328.416 1.941 40 0 EDABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000022075770 212276237 /nfs/dbraw/zinc/27/62/37/212276237.db2.gz PMAQIAGNLUTLOL-UHFFFAOYSA-N 1 0 343.855 1.644 40 0 EDABRO COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000257221625 244186391 /nfs/dbraw/zinc/18/63/91/244186391.db2.gz DPXGYAKSQJIMJV-NCOADZHNSA-N 1 0 349.431 1.099 40 0 EDABRO CCS(=O)(=O)N1CC[C@@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257220523 244182094 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c1cn2c(n1)CN(Cc1ccsc1)C[C@H](C[NH+]1CCOCC1)C2 ZINC000096188491 296631884 /nfs/dbraw/zinc/63/18/84/296631884.db2.gz YTQHTIIIFNWMRJ-INIZCTEOSA-N 1 0 332.473 1.909 40 0 EDABRO O=C1CC[C@]2(CCCN(c3ncccn3)C2)N1CC[NH+]1CCCC1 ZINC000096071230 280261641 /nfs/dbraw/zinc/26/16/41/280261641.db2.gz FDMNMWRQJCJHET-SFHVURJKSA-N 1 0 329.448 1.534 40 0 EDABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)COC2CCCCC2)C1 ZINC000005997914 440977194 /nfs/dbraw/zinc/97/71/94/440977194.db2.gz DXUPJBKWHBRLDL-GVDBMIGSSA-N 1 0 346.471 1.978 40 0 EDABRO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335612 441229682 /nfs/dbraw/zinc/22/96/82/441229682.db2.gz JBEDGBCEBIPOIS-KBPBESRZSA-N 1 0 332.448 1.401 40 0 EDABRO O=c1cc([C@@H]2CCC[N@H+](CC3CCCC3)C2)nc(N2CCOCC2)[nH]1 ZINC000019291978 441256447 /nfs/dbraw/zinc/25/64/47/441256447.db2.gz QYDNTRZTFNPIKF-MRXNPFEDSA-N 1 0 346.475 1.976 40 0 EDABRO O=C(CCn1cccn1)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019406091 441257793 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O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](C3CCOCC3)CCN12 ZINC000085436185 441440182 /nfs/dbraw/zinc/44/01/82/441440182.db2.gz UDQKLFNSOHJWTJ-QGZVFWFLSA-N 1 0 333.407 1.927 40 0 biogenic,in-vitro EDABRO Cc1nc(C[NH+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)c[nH]1 ZINC000108525225 441459532 /nfs/dbraw/zinc/45/95/32/441459532.db2.gz HSYKQMJJFALXMY-UHFFFAOYSA-N 1 0 338.477 1.545 40 0 EDABRO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108527189 441459774 /nfs/dbraw/zinc/45/97/74/441459774.db2.gz KURBIPBTYKVACL-MRXNPFEDSA-N 1 0 349.479 1.513 40 0 EDABRO CS(=O)(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000108534770 441462104 /nfs/dbraw/zinc/46/21/04/441462104.db2.gz LMQVWCBIJZXOEB-CYBMUJFWSA-N 1 0 328.434 1.342 40 0 EDABRO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)CC2=O)cs1 ZINC000096050903 441999823 /nfs/dbraw/zinc/99/98/23/441999823.db2.gz JHGDJCDGRPPKMC-QGZVFWFLSA-N 1 0 345.472 1.810 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21)N1CCCO1 ZINC000096057305 442005239 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Cc1nc(CN2CCOC[C@]3(CCC[N@H+](CCO)C3)C2)cs1 ZINC000096229366 442096131 /nfs/dbraw/zinc/09/61/31/442096131.db2.gz MWXRMNHHFDNOFY-INIZCTEOSA-N 1 0 325.478 1.358 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)cn1 ZINC000096159157 442049687 /nfs/dbraw/zinc/04/96/87/442049687.db2.gz JDCHJXUOFGOWPO-UHFFFAOYSA-N 1 0 346.456 1.880 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096183706 442058318 /nfs/dbraw/zinc/05/83/18/442058318.db2.gz QDDZYEZEWQZWOR-YESZJQIVSA-N 1 0 327.384 1.723 40 0 EDABRO O=c1ccc2c(n1Cc1cccnc1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096196712 442069474 /nfs/dbraw/zinc/06/94/74/442069474.db2.gz XTNWOOJVTRDSET-QGZVFWFLSA-N 1 0 339.439 1.729 40 0 EDABRO COc1ccc(C(=O)N2CCc3ncc(C[NH+](C)C)n3CC2)cc1 ZINC000096196812 442069529 /nfs/dbraw/zinc/06/95/29/442069529.db2.gz TVQYNGMUMVDZIF-UHFFFAOYSA-N 1 0 328.416 1.652 40 0 EDABRO COCCO[C@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1cnn(C)c1 ZINC000096200645 442075682 /nfs/dbraw/zinc/07/56/82/442075682.db2.gz HUDLOZNMZYNESH-ROUUACIJSA-N 1 0 330.432 1.664 40 0 EDABRO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)O1 ZINC000096207147 442081918 /nfs/dbraw/zinc/08/19/18/442081918.db2.gz OEZCWSAIHWUIKL-DZGCQCFKSA-N 1 0 344.502 1.811 40 0 EDABRO O=S(=O)(NC[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2)C1CC1 ZINC000096208562 442083114 /nfs/dbraw/zinc/08/31/14/442083114.db2.gz WYFNEWMRHHJUJE-HIFRSBDPSA-N 1 0 342.486 1.278 40 0 EDABRO CN(C)C(=O)[C@]12C[N@H+](CC3CC3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251169 442104603 /nfs/dbraw/zinc/10/46/03/442104603.db2.gz LQGVBNCQQFGGJT-CRAIPNDOSA-N 1 0 329.448 1.246 40 0 EDABRO COCC(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]12 ZINC000247846629 442870294 /nfs/dbraw/zinc/87/02/94/442870294.db2.gz PUHQYHKIDAOCTP-KZNAEPCWSA-N 1 0 332.444 1.513 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cn1 ZINC000248136955 442883787 /nfs/dbraw/zinc/88/37/87/442883787.db2.gz OVWWKDRAUJBMEU-ROUUACIJSA-N 1 0 327.432 1.685 40 0 EDABRO COc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)c1 ZINC000257291468 443133274 /nfs/dbraw/zinc/13/32/74/443133274.db2.gz QHAYIMHNJWSUKZ-MRXNPFEDSA-N 1 0 347.459 1.093 40 0 EDABRO CNC(=O)[C@H]1CN(Cc2c[nH]nc2-c2cccs2)CC[N@H+](C)C1 ZINC000257318902 443145236 /nfs/dbraw/zinc/14/52/36/443145236.db2.gz VPWXRQKYHVNZJN-CYBMUJFWSA-N 1 0 333.461 1.248 40 0 EDABRO C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cscn1 ZINC000257318952 443145586 /nfs/dbraw/zinc/14/55/86/443145586.db2.gz VQBNGPLVQOYSAB-OJLVUWQFSA-N 1 0 347.440 1.384 40 0 EDABRO Nc1cc(CC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)cc[nH+]1 ZINC000257285200 443130881 /nfs/dbraw/zinc/13/08/81/443130881.db2.gz PGBRSUQJHNWNPQ-CYBMUJFWSA-N 1 0 341.415 1.349 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306136635 444286656 /nfs/dbraw/zinc/28/66/56/444286656.db2.gz PYUPQMAVRVPSLI-RYUDHWBXSA-N 1 0 343.456 1.536 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289532 448160996 /nfs/dbraw/zinc/16/09/96/448160996.db2.gz NKMKSNSKXMBMJB-VQTJNVASSA-N 1 0 343.515 1.690 40 0 biogenic,in-vitro EDABRO CC(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106055 448688275 /nfs/dbraw/zinc/68/82/75/448688275.db2.gz HYKZELXHDXOWSL-JKSUJKDBSA-N 1 0 343.475 1.540 40 0 EDABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C(C)C)C[C@@H]21 ZINC000585109580 448690018 /nfs/dbraw/zinc/69/00/18/448690018.db2.gz BVYXACYPMOGKPJ-JENIJYKNSA-N 1 0 332.444 1.944 40 0 EDABRO CO[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@H]1CC(=O)N1CCCC1 ZINC000585275386 448719376 /nfs/dbraw/zinc/71/93/76/448719376.db2.gz BEFKYHUGSGQYNE-IAGOWNOFSA-N 1 0 332.448 1.634 40 0 EDABRO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095089 448677855 /nfs/dbraw/zinc/67/78/55/448677855.db2.gz DYWJUSNLFSWZKZ-INIZCTEOSA-N 1 0 349.475 1.594 40 0 EDABRO Cc1ccc(OC[C@@]2(O)C[N@H+](CC3(O)CCCCC3)CC[C@@H]2O)cc1 ZINC000585282438 448729921 /nfs/dbraw/zinc/72/99/21/448729921.db2.gz KCEBROILLHIRFK-ICSRJNTNSA-N 1 0 349.471 1.867 40 0 EDABRO CNC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@H+](C)C1 ZINC000257261506 536398845 /nfs/dbraw/zinc/39/88/45/536398845.db2.gz LHQLLUYNTCBIOL-ZDUSSCGKSA-N 1 0 329.366 1.815 40 0 EDABRO CC(C)[N@H+](C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000097953435 219064155 /nfs/dbraw/zinc/06/41/55/219064155.db2.gz MVJYYGWRWILGNB-WDYCEAGBSA-N 1 0 331.460 1.970 40 0 EDABRO C[N@@H+]1CCCC[C@@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 ZINC000072367361 216174135 /nfs/dbraw/zinc/17/41/35/216174135.db2.gz XPCGEJMDLZDZKK-SFHVURJKSA-N 1 0 347.463 1.095 40 0 EDABRO Cc1cc(CCC(=O)NCc2ccncc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366932 216173669 /nfs/dbraw/zinc/17/36/69/216173669.db2.gz GVCZGNCDVUMQAV-MRXNPFEDSA-N 1 0 339.443 1.896 40 0 EDABRO CC(C)CCOC[C@H](O)CNCC[NH2+]C[C@H](O)COCCC(C)C ZINC000023477110 212377955 /nfs/dbraw/zinc/37/79/55/212377955.db2.gz OXAYASBURPDVLO-HDICACEKSA-N 1 0 348.528 1.013 40 0 EDABRO c1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc(N2CCCC2)n1 ZINC000022863186 212329756 /nfs/dbraw/zinc/32/97/56/212329756.db2.gz XBWGYCSWLWDOOC-QGZVFWFLSA-N 1 0 331.464 1.373 40 0 EDABRO C[NH+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000216475990 241194410 /nfs/dbraw/zinc/19/44/10/241194410.db2.gz IKHOWARGEADANQ-UHFFFAOYSA-N 1 0 333.841 1.393 40 0 EDABRO Cc1ncc(CNC(=O)Cc2cccnc2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257216666 244170627 /nfs/dbraw/zinc/17/06/27/244170627.db2.gz CVPKWZORBQEKEC-INIZCTEOSA-N 1 0 325.416 1.806 40 0 EDABRO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257247606 244260711 /nfs/dbraw/zinc/26/07/11/244260711.db2.gz IZRIRHHZJCEDII-MRXNPFEDSA-N 1 0 326.444 1.687 40 0 EDABRO NC(=O)[C@H]1CN(CCCc2ccccc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257272559 244384459 /nfs/dbraw/zinc/38/44/59/244384459.db2.gz NCWGCIWSCIUXFB-SFHVURJKSA-N 1 0 345.487 1.517 40 0 EDABRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H](C(=O)N(C)C)C2)cc1 ZINC000257277708 244399462 /nfs/dbraw/zinc/39/94/62/244399462.db2.gz NZBRYLHQKPQEFG-QGZVFWFLSA-N 1 0 347.459 1.454 40 0 EDABRO Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)CC[NH3+])C2)n1 ZINC000257313146 244497676 /nfs/dbraw/zinc/49/76/76/244497676.db2.gz URFDRLGCBDHWKC-CYBMUJFWSA-N 1 0 329.404 1.488 40 0 EDABRO CN1CCN(C(=O)c2cc([C@@H]3C[NH2+]CCO3)nc3ccccc32)CC1 ZINC000257325528 244531416 /nfs/dbraw/zinc/53/14/16/244531416.db2.gz WTIOMBRJEBXXQM-SFHVURJKSA-N 1 0 340.427 1.283 40 0 EDABRO CC(C)N(C(=O)OCc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079412494 217221419 /nfs/dbraw/zinc/22/14/19/217221419.db2.gz VIDGPTPAJQLEMY-UHFFFAOYSA-N 1 0 333.432 1.983 40 0 EDABRO [NH3+]CC(=O)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393002 217218811 /nfs/dbraw/zinc/21/88/11/217218811.db2.gz WFUMRLFJPYLNPZ-MRXNPFEDSA-N 1 0 345.443 1.985 40 0 EDABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)CCCn1cncn1 ZINC000012366152 211357794 /nfs/dbraw/zinc/35/77/94/211357794.db2.gz BXHCJJUCIPJVTK-MRXNPFEDSA-N 1 0 343.431 1.410 40 0 EDABRO C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccccn1 ZINC000096062020 278112746 /nfs/dbraw/zinc/11/27/46/278112746.db2.gz BSSUXAQUHFYOPB-MRXNPFEDSA-N 1 0 340.475 1.602 40 0 EDABRO [NH3+][C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218484503 279691814 /nfs/dbraw/zinc/69/18/14/279691814.db2.gz JKUXKKNUZIABGL-OWCLPIDISA-N 1 0 337.828 1.970 40 0 EDABRO C[NH+](C)CCSc1nnc2c3ccccc3n(CC(N)=O)c2n1 ZINC000001507819 440845956 /nfs/dbraw/zinc/84/59/56/440845956.db2.gz XGFLNWCYNGGSHW-UHFFFAOYSA-N 1 0 330.417 1.119 40 0 EDABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCC(N)=O ZINC000008327022 441089707 /nfs/dbraw/zinc/08/97/07/441089707.db2.gz LOGHKQAEVCAMSY-LLVKDONJSA-N 1 0 330.812 1.463 40 0 EDABRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)c1 ZINC000107201734 441404244 /nfs/dbraw/zinc/40/42/44/441404244.db2.gz CMHFWXTVVRJGBR-OIISXLGYSA-N 1 0 338.473 1.582 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)cn1 ZINC000107230262 441405053 /nfs/dbraw/zinc/40/50/53/441405053.db2.gz XBEOTTRNUDUXIA-FUHWJXTLSA-N 1 0 332.448 1.317 40 0 EDABRO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609650 441666218 /nfs/dbraw/zinc/66/62/18/441666218.db2.gz HNCPFNHYASQUJW-HOTGVXAUSA-N 1 0 344.463 1.442 40 0 EDABRO c1ccc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052341 442001825 /nfs/dbraw/zinc/00/18/25/442001825.db2.gz SNDXCMOLZYGYGD-MOPGFXCFSA-N 1 0 331.460 1.927 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)N3CCOCC3)C2)n1 ZINC000096038719 441985948 /nfs/dbraw/zinc/98/59/48/441985948.db2.gz GDNRRKODEQCLCA-IEBWSBKVSA-N 1 0 345.443 1.230 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21)N1CCOCC1 ZINC000096040844 441987019 /nfs/dbraw/zinc/98/70/19/441987019.db2.gz HEBFIIHURIOXHS-KURKYZTESA-N 1 0 345.443 1.025 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[N@@H+](C2CCOCC2)C[C@H]2OCC[C@H]21 ZINC000096041176 441988780 /nfs/dbraw/zinc/98/87/80/441988780.db2.gz JCGNFNBWOXJCNW-OKZBNKHCSA-N 1 0 345.443 1.214 40 0 EDABRO Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096055602 442003789 /nfs/dbraw/zinc/00/37/89/442003789.db2.gz KNNGZMTYHYEEHO-KFWWJZLASA-N 1 0 346.456 1.530 40 0 EDABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(Cc1ccc(OC)cc1)C2 ZINC000096062310 442009357 /nfs/dbraw/zinc/00/93/57/442009357.db2.gz YSLDMFZEJGEHKV-LJQANCHMSA-N 1 0 334.460 1.866 40 0 EDABRO O=c1cc(C[NH+]2CCCC2)nc2n1CCCN(Cc1ccoc1)C2 ZINC000096059571 442007836 /nfs/dbraw/zinc/00/78/36/442007836.db2.gz QVCLRSFJBWOMSR-UHFFFAOYSA-N 1 0 328.416 1.838 40 0 EDABRO CN(Cc1cncnc1)[C@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096065216 442013290 /nfs/dbraw/zinc/01/32/90/442013290.db2.gz VRWXGUIKOHJLGG-QYZOEREBSA-N 1 0 339.443 1.735 40 0 EDABRO CN1CC[NH+](C[C@@H]2OC[C@H]3CN(C(=O)c4ccsc4)CC[C@@H]23)CC1 ZINC000096064303 442012410 /nfs/dbraw/zinc/01/24/10/442012410.db2.gz IMLNWCGELOVLIS-ZACQAIPSSA-N 1 0 349.500 1.473 40 0 EDABRO Cn1nc(COCC[NH+](C)C)c2c1CN(C(=O)c1ccsc1)CC2 ZINC000096084998 442024199 /nfs/dbraw/zinc/02/41/99/442024199.db2.gz PJMTUFPLECQEJB-UHFFFAOYSA-N 1 0 348.472 1.758 40 0 EDABRO C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2ccsc2)C3)CC1 ZINC000096087566 442026040 /nfs/dbraw/zinc/02/60/40/442026040.db2.gz QCKHFWGYICVDDU-UHFFFAOYSA-N 1 0 345.472 1.348 40 0 EDABRO CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108377 442032467 /nfs/dbraw/zinc/03/24/67/442032467.db2.gz JPDXKAHPIIVZRG-SJORKVTESA-N 1 0 338.473 1.117 40 0 EDABRO Cc1ccsc1C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC000096108706 442033517 /nfs/dbraw/zinc/03/35/17/442033517.db2.gz LULNIIOWRWAMGF-PBHICJAKSA-N 1 0 338.473 1.610 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2)c1cccnc1 ZINC000096108504 442033583 /nfs/dbraw/zinc/03/35/83/442033583.db2.gz HTLISDDATYXPMJ-QAPCUYQASA-N 1 0 327.384 1.553 40 0 EDABRO Cn1ccnc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096200809 442075719 /nfs/dbraw/zinc/07/57/19/442075719.db2.gz YPBVAZZOWYEWSE-MOPGFXCFSA-N 1 0 340.471 1.938 40 0 EDABRO Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2ccco2)cn1 ZINC000096200950 442075922 /nfs/dbraw/zinc/07/59/22/442075922.db2.gz AHVJGYTYBYMGCA-MSOLQXFVSA-N 1 0 330.432 1.531 40 0 EDABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096201984 442077446 /nfs/dbraw/zinc/07/74/46/442077446.db2.gz PCXQCTNZODVUKN-SFHVURJKSA-N 1 0 335.448 1.261 40 0 EDABRO CS(=O)(=O)N[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096216990 442088198 /nfs/dbraw/zinc/08/81/98/442088198.db2.gz BNUXTWXJQXZEKL-AWEZNQCLSA-N 1 0 344.502 1.668 40 0 EDABRO CN(C)C(=O)CN1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096239863 442099441 /nfs/dbraw/zinc/09/94/41/442099441.db2.gz ZZLXJQVDIIOOMI-UHFFFAOYSA-N 1 0 335.448 1.282 40 0 EDABRO C[NH+]1CCC(CCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000156382303 442474628 /nfs/dbraw/zinc/47/46/28/442474628.db2.gz CRQZNPPDUFKSSD-UHFFFAOYSA-N 1 0 339.461 1.520 40 0 EDABRO C[NH+](C)CC(=O)N1CC2(C1)C[C@H](CCOc1ccccn1)CCO2 ZINC000247954573 442874657 /nfs/dbraw/zinc/87/46/57/442874657.db2.gz CNXYPQCLWAADPM-OAHLLOKOSA-N 1 0 333.432 1.420 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(OC)cc1 ZINC000252513919 443039466 /nfs/dbraw/zinc/03/94/66/443039466.db2.gz AVRKSDQXIJUDCM-IIAWOOMASA-N 1 0 341.429 1.104 40 0 EDABRO [NH3+]CCCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257286557 443131205 /nfs/dbraw/zinc/13/12/05/443131205.db2.gz PLZZRQIAYCSVQE-WMZOPIPTSA-N 1 0 334.416 1.170 40 0 EDABRO Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C4CC[NH2+]CC4)C3)ccc12 ZINC000257287780 443132985 /nfs/dbraw/zinc/13/29/85/443132985.db2.gz PRMRIOQWELGKCL-LBPRGKRZSA-N 1 0 328.420 1.246 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[N@H+](CC3CCOCC3)CCN2C)c1 ZINC000257299969 443137369 /nfs/dbraw/zinc/13/73/69/443137369.db2.gz RSIWFUORFBSUNF-SFHVURJKSA-N 1 0 331.460 1.761 40 0 EDABRO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]12 ZINC000257266109 443126538 /nfs/dbraw/zinc/12/65/38/443126538.db2.gz MBPYLWCXQWKMIF-IXDOHACOSA-N 1 0 343.475 1.636 40 0 EDABRO CCCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1C ZINC000257284986 443130238 /nfs/dbraw/zinc/13/02/38/443130238.db2.gz PFEBMOIMLKAFGC-BFYDXBDKSA-N 1 0 334.464 1.627 40 0 EDABRO Cc1csc(Nc2cc(C)nc([C@H]3CCN(C(=O)C[NH3+])C3)n2)n1 ZINC000257328604 443150350 /nfs/dbraw/zinc/15/03/50/443150350.db2.gz XGKFCMMOZDTLJV-NSHDSACASA-N 1 0 332.433 1.568 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1([NH3+])CO ZINC000242614918 443211315 /nfs/dbraw/zinc/21/13/15/443211315.db2.gz PLZZNICIVUHIIE-QJPTWQEYSA-N 1 0 334.235 1.039 40 0 EDABRO O=C(NCC[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21)c1cnccn1 ZINC000306140058 444287179 /nfs/dbraw/zinc/28/71/79/444287179.db2.gz UIJZAOWNMCLHIS-OAHLLOKOSA-N 1 0 340.431 1.650 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2cccs2)cc(C(F)(F)F)n1 ZINC000329071549 444464368 /nfs/dbraw/zinc/46/43/68/444464368.db2.gz ZQTYHFDRHGSYPT-UHFFFAOYSA-N 1 0 345.394 1.986 40 0 EDABRO Cc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc2nncn21 ZINC000413239244 447086766 /nfs/dbraw/zinc/08/67/66/447086766.db2.gz MMZZFRRYSSVKBK-YJBOKZPZSA-N 1 0 337.431 1.957 40 0 EDABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O ZINC000514288372 448160434 /nfs/dbraw/zinc/16/04/34/448160434.db2.gz BLWIXRSHGRATLN-HRCADAONSA-N 1 0 337.420 1.287 40 0 biogenic,in-vitro EDABRO CC(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000585106053 448688288 /nfs/dbraw/zinc/68/82/88/448688288.db2.gz HYKZELXHDXOWSL-HOTGVXAUSA-N 1 0 343.475 1.540 40 0 EDABRO CNC(=O)C[C@@]1(OC)COCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000585279507 448728132 /nfs/dbraw/zinc/72/81/32/448728132.db2.gz NHXTWXQOCGHPKF-SFHVURJKSA-N 1 0 331.416 1.521 40 0 EDABRO CC[NH+]1CCC(N2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585279338 448728352 /nfs/dbraw/zinc/72/83/52/448728352.db2.gz YDZJOHXWFNDSNU-FQEVSTJZSA-N 1 0 348.487 1.921 40 0 EDABRO CC[NH+](CC)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585289932 448734781 /nfs/dbraw/zinc/73/47/81/448734781.db2.gz NCTRPNYICFBXQQ-RDJZCZTQSA-N 1 0 340.851 1.620 40 0 EDABRO S=C(NC[C@H]1CCCO1)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217785 485814218 /nfs/dbraw/zinc/81/42/18/485814218.db2.gz RZUATOZWRUUZKR-CQSZACIVSA-N 1 0 329.535 1.553 40 0 EDABRO Cc1cc(C)n(C(=O)C[NH2+]C[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000585287255 485898297 /nfs/dbraw/zinc/89/82/97/485898297.db2.gz WARUBPXVMBHNJV-SZVBFZGTSA-N 1 0 343.427 1.948 40 0 EDABRO CN1CCC[C@H]1c1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000306131420 517912068 /nfs/dbraw/zinc/91/20/68/517912068.db2.gz KDWOQIDFHNRTGG-ZBFHGGJFSA-N 1 0 341.459 1.877 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218514244 535596261 /nfs/dbraw/zinc/59/62/61/535596261.db2.gz SIPVHLNMZGRCOT-IPYPFGDCSA-N 1 0 345.848 1.749 40 0 EDABRO C[NH+](C)C[C@@H]1Cn2nccc2CN(C(=O)CCOc2ccccc2)C1 ZINC000248129780 535949974 /nfs/dbraw/zinc/94/99/74/535949974.db2.gz PYHODYKNBJKLEP-INIZCTEOSA-N 1 0 342.443 1.872 40 0 EDABRO Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257276099 536021013 /nfs/dbraw/zinc/02/10/13/536021013.db2.gz NSJOUDFQXAILKH-HNNXBMFYSA-N 1 0 349.460 1.403 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000097953631 219064611 /nfs/dbraw/zinc/06/46/11/219064611.db2.gz AVIXKMCOEHUROG-OKZBNKHCSA-N 1 0 329.444 1.849 40 0 EDABRO NC(=O)[C@@]1(CCCc2ccncc2)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072367220 216172422 /nfs/dbraw/zinc/17/24/22/216172422.db2.gz WREMWZQUPMNIMU-SFHVURJKSA-N 1 0 327.432 1.895 40 0 EDABRO COCCNc1ccc(C[C@H]2CCC[N@@H+](C3CCOCC3)C2)nn1 ZINC000072387298 216186906 /nfs/dbraw/zinc/18/69/06/216186906.db2.gz DUDFRJKNGBGPLF-OAHLLOKOSA-N 1 0 334.464 1.968 40 0 EDABRO Cc1ccc(OCCCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022829978 212326545 /nfs/dbraw/zinc/32/65/45/212326545.db2.gz VWTWWMADPIXRHK-UHFFFAOYSA-N 1 0 333.476 1.908 40 0 EDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218206911 241305575 /nfs/dbraw/zinc/30/55/75/241305575.db2.gz PLZZNICIVUHIIE-WOPDTQHZSA-N 1 0 334.235 1.039 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2([NH3+])CO)cc1 ZINC000218570800 241332902 /nfs/dbraw/zinc/33/29/02/241332902.db2.gz HJGLTZLPAOUQSF-BBWFWOEESA-N 1 0 335.400 1.764 40 0 EDABRO CNc1cc(C)nc(CC2CC[NH+](CC3(O)CCOCC3)CC2)n1 ZINC000257211560 244153529 /nfs/dbraw/zinc/15/35/29/244153529.db2.gz BZINHVHQOKDQRU-UHFFFAOYSA-N 1 0 334.464 1.623 40 0 EDABRO Cc1ccc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257244064 244253343 /nfs/dbraw/zinc/25/33/43/244253343.db2.gz IJRXOXCUKJQFCG-MRXNPFEDSA-N 1 0 326.400 1.841 40 0 EDABRO Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)n1 ZINC000257239059 244238800 /nfs/dbraw/zinc/23/88/00/244238800.db2.gz HNTUDOCXQZKSKV-INIZCTEOSA-N 1 0 342.447 1.681 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC[N@H+](C)C1 ZINC000257249939 244266016 /nfs/dbraw/zinc/26/60/16/244266016.db2.gz JKINDMRACQTRAX-OAHLLOKOSA-N 1 0 342.443 1.535 40 0 EDABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cnn2cccnc12 ZINC000257249797 244266780 /nfs/dbraw/zinc/26/67/80/244266780.db2.gz JJUZETHNFGYDKY-BZUAXINKSA-N 1 0 343.431 1.227 40 0 EDABRO CNc1cc(C)[nH+]c([C@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)c1 ZINC000257255760 244281258 /nfs/dbraw/zinc/28/12/58/244281258.db2.gz KISKQKMMAOJUAT-ZDUSSCGKSA-N 1 0 349.460 1.652 40 0 EDABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O ZINC000077263862 216859999 /nfs/dbraw/zinc/85/99/99/216859999.db2.gz IZDILAHNFPUJST-NFAWXSAZSA-N 1 0 348.434 1.835 40 0 biogenic,in-vitro EDABRO Cc1ccn(CCC(=O)N2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257262285 244349120 /nfs/dbraw/zinc/34/91/20/244349120.db2.gz LKVMPNZVSIJCSR-MRXNPFEDSA-N 1 0 329.404 1.467 40 0 EDABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)COC(C)C)n1 ZINC000019709996 212056597 /nfs/dbraw/zinc/05/65/97/212056597.db2.gz YGMAXTSANWAXRU-CYBMUJFWSA-N 1 0 335.452 1.369 40 0 EDABRO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000019575838 212045661 /nfs/dbraw/zinc/04/56/61/212045661.db2.gz BEERMGACMMQTOF-NXNVCVFFSA-N 1 0 332.444 1.733 40 0 EDABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cnn1C ZINC000019553663 212041638 /nfs/dbraw/zinc/04/16/38/212041638.db2.gz WBVVIENSVXNXMB-ZDUSSCGKSA-N 1 0 343.431 1.988 40 0 EDABRO O=C(C1CC1)N1CCC(c2nc([C@H]3CCC[NH2+]C3)cc(=O)[nH]2)CC1 ZINC000019291968 212011274 /nfs/dbraw/zinc/01/12/74/212011274.db2.gz QWJUGBLBBRCXLO-AWEZNQCLSA-N 1 0 330.432 1.353 40 0 EDABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079412850 217222365 /nfs/dbraw/zinc/22/23/65/217222365.db2.gz KSFWCZYOIPKJBX-GOEBONIOSA-N 1 0 333.432 1.983 40 0 EDABRO O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000012146515 211306515 /nfs/dbraw/zinc/30/65/15/211306515.db2.gz USKDPIUEMFWRHK-QZTJIDSGSA-N 1 0 332.423 1.637 40 0 EDABRO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccccc1C ZINC000010339409 211167441 /nfs/dbraw/zinc/16/74/41/211167441.db2.gz QBSQLDIJHHESLE-HUUCEWRRSA-N 1 0 345.399 1.033 40 0 EDABRO CC1CCN(C(=O)[C@@H]2C[C@@H]3CCN(CC[NH+]4CCCC4)C[C@@H]3O2)CC1 ZINC000096065483 218561166 /nfs/dbraw/zinc/56/11/66/218561166.db2.gz JGRUGFOVNULHGV-FHWLQOOXSA-N 1 0 349.519 1.820 40 0 EDABRO Cn1cccc1C(=O)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188368 218656439 /nfs/dbraw/zinc/65/64/39/218656439.db2.gz CPCQWSBPSYEGKS-HNNXBMFYSA-N 1 0 327.432 1.590 40 0 EDABRO O=C(c1cccnc1)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096041626 280215030 /nfs/dbraw/zinc/21/50/30/280215030.db2.gz LWJZZSWDISENHB-RCCFBDPRSA-N 1 0 345.443 1.566 40 0 EDABRO COC[C@H]1c2nnn(CC3CC3)c2CCN1CC[NH+]1CCCCC1 ZINC000096068804 293241624 /nfs/dbraw/zinc/24/16/24/293241624.db2.gz VLORHSPAIRSRJE-KRWDZBQOSA-N 1 0 333.480 1.720 40 0 EDABRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000012739558 441140382 /nfs/dbraw/zinc/14/03/82/441140382.db2.gz FZHKONYHLVEDDV-BFYDXBDKSA-N 1 0 339.457 1.218 40 0 EDABRO CC(=O)N[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc3ccccc3o1)CC2 ZINC000019713023 441259357 /nfs/dbraw/zinc/25/93/57/441259357.db2.gz XEQNDSFCDZYZFR-KBXCAEBGSA-N 1 0 327.384 1.373 40 0 EDABRO CC(C)c1ccc(OCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000061524894 441275564 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C[NH+]1CCC(C(=O)NC[C@H]2OCCc3cn(CC4CC4)nc32)CC1 ZINC000096044392 441992952 /nfs/dbraw/zinc/99/29/52/441992952.db2.gz VGTXUPUYYFNVOU-MRXNPFEDSA-N 1 0 332.448 1.365 40 0 EDABRO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](CC1CCOCC1)C2 ZINC000096048726 441996136 /nfs/dbraw/zinc/99/61/36/441996136.db2.gz ONMPEJQXGCKNGO-SFHVURJKSA-N 1 0 330.432 1.722 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cn1 ZINC000096038489 441984011 /nfs/dbraw/zinc/98/40/11/441984011.db2.gz MORZTYDUPRSVRM-INIZCTEOSA-N 1 0 330.432 1.047 40 0 EDABRO COCCNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096038704 441985993 /nfs/dbraw/zinc/98/59/93/441985993.db2.gz MOOPUHNMTUQMMJ-GDBMZVCRSA-N 1 0 339.461 1.195 40 0 EDABRO COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000096057487 442004901 /nfs/dbraw/zinc/00/49/01/442004901.db2.gz VMNMUBZKBJXHOA-BZUAXINKSA-N 1 0 338.473 1.941 40 0 EDABRO Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096061526 442009296 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c1cnc(N[C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000096221652 442092085 /nfs/dbraw/zinc/09/20/85/442092085.db2.gz MRJGUOCKRAEDFS-MRXNPFEDSA-N 1 0 332.448 1.939 40 0 EDABRO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)n1 ZINC000096224184 442092361 /nfs/dbraw/zinc/09/23/61/442092361.db2.gz YBEUDMWVBQYCER-LJQANCHMSA-N 1 0 344.459 1.293 40 0 EDABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096158230 442048171 /nfs/dbraw/zinc/04/81/71/442048171.db2.gz JHRBPOVCHQZQNP-ICSRJNTNSA-N 1 0 343.471 1.975 40 0 EDABRO Cn1ccnc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096159476 442049736 /nfs/dbraw/zinc/04/97/36/442049736.db2.gz KLSLXLAAFRWMLS-SFHVURJKSA-N 1 0 325.416 1.440 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)o1 ZINC000096160163 442051065 /nfs/dbraw/zinc/05/10/65/442051065.db2.gz BIQQNBMFXMHLAR-KRWDZBQOSA-N 1 0 348.443 1.675 40 0 EDABRO CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096182572 442055735 /nfs/dbraw/zinc/05/57/35/442055735.db2.gz IVUQRARAZFMTCB-ZACQAIPSSA-N 1 0 348.516 1.027 40 0 EDABRO O=C(c1cscn1)N1CC[N@@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183488 442056587 /nfs/dbraw/zinc/05/65/87/442056587.db2.gz VRGABNHTTMXUMA-LSDHHAIUSA-N 1 0 344.440 1.654 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CN(C(=O)C3CC3)CCO2)C1 ZINC000096226725 442095186 /nfs/dbraw/zinc/09/51/86/442095186.db2.gz AQCKMOIDKXGPBO-SFHVURJKSA-N 1 0 333.432 1.895 40 0 EDABRO CC[NH+](CC)Cc1cnc2n1CCN(C(=O)c1cccn1C)CC2 ZINC000096196830 442069036 /nfs/dbraw/zinc/06/90/36/442069036.db2.gz GUCPUJBMADYNJO-UHFFFAOYSA-N 1 0 329.448 1.762 40 0 EDABRO O=S(=O)(c1ccccc1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC000096197231 442071041 /nfs/dbraw/zinc/07/10/41/442071041.db2.gz FPFUAAUWICEXIU-UHFFFAOYSA-N 1 0 346.456 1.683 40 0 EDABRO O=C(c1ccoc1)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096202052 442077364 /nfs/dbraw/zinc/07/73/64/442077364.db2.gz IGLHBNJWADKGEM-GOSISDBHSA-N 1 0 334.416 1.623 40 0 EDABRO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)O1 ZINC000096206483 442080155 /nfs/dbraw/zinc/08/01/55/442080155.db2.gz XBNWROZHWJWTAX-DZGCQCFKSA-N 1 0 328.434 1.342 40 0 EDABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21)N1CCCO1 ZINC000096207028 442080238 /nfs/dbraw/zinc/08/02/38/442080238.db2.gz BOWPRQOEBAHIBS-DJIMGWMZSA-N 1 0 331.416 1.473 40 0 EDABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12)N1CCCCO1 ZINC000096216332 442087122 /nfs/dbraw/zinc/08/71/22/442087122.db2.gz TZELIYDTOLXRNP-BRWVUGGUSA-N 1 0 331.416 1.473 40 0 EDABRO CCOCC(=O)N1CCC2(CCC(=O)N2CC[NH+]2CCCC2)CC1 ZINC000096228145 442096097 /nfs/dbraw/zinc/09/60/97/442096097.db2.gz RIEFVPZVOFJOFQ-UHFFFAOYSA-N 1 0 337.464 1.102 40 0 EDABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(C(=O)c1cccnc1)CC2 ZINC000096230266 442097430 /nfs/dbraw/zinc/09/74/30/442097430.db2.gz OHDUKHUIIRCUND-UHFFFAOYSA-N 1 0 344.459 1.486 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000183986589 442980371 /nfs/dbraw/zinc/98/03/71/442980371.db2.gz GWOSFDBZSPMXFM-IRXDYDNUSA-N 1 0 345.443 1.015 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCc2ccnn2C)cc1 ZINC000257290041 443133878 /nfs/dbraw/zinc/13/38/78/443133878.db2.gz QBHOETKEBNKVPL-QGZVFWFLSA-N 1 0 328.416 1.534 40 0 EDABRO CN(C)C(=O)[C@H]1CN(Cc2ccncc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257293364 443134345 /nfs/dbraw/zinc/13/43/45/443134345.db2.gz QPDSIVJVDXEYHC-KRWDZBQOSA-N 1 0 346.475 1.083 40 0 EDABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1 ZINC000257294077 443134665 /nfs/dbraw/zinc/13/46/65/443134665.db2.gz QSHUNPBLSQYGIM-LLVKDONJSA-N 1 0 332.379 1.105 40 0 EDABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1 ZINC000257294078 443134936 /nfs/dbraw/zinc/13/49/36/443134936.db2.gz QSHUNPBLSQYGIM-NSHDSACASA-N 1 0 332.379 1.105 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)c2c(C)oc3c2CCCC3)CC[N@H+](C)C1 ZINC000257299712 443136713 /nfs/dbraw/zinc/13/67/13/443136713.db2.gz RREHKDVOIOAUMT-CYBMUJFWSA-N 1 0 333.432 1.217 40 0 EDABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)c1 ZINC000257280042 443127986 /nfs/dbraw/zinc/12/79/86/443127986.db2.gz OJFPOPWVGQYLPB-HKUYNNGSSA-N 1 0 348.443 1.383 40 0 EDABRO O=S(=O)(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccc(F)c1 ZINC000257329185 443150265 /nfs/dbraw/zinc/15/02/65/443150265.db2.gz XIVSWWCJJHGWKK-BZUAXINKSA-N 1 0 342.436 1.482 40 0 EDABRO N[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242620141 443211004 /nfs/dbraw/zinc/21/10/04/443211004.db2.gz PUTKWDGOBAMMIB-XHSDSOJGSA-N 1 0 336.844 1.936 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@H]1C2 ZINC000306130742 444285634 /nfs/dbraw/zinc/28/56/34/444285634.db2.gz JOHILYODECFVKI-NEPJUHHUSA-N 1 0 327.388 1.068 40 0 EDABRO Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]12 ZINC000306141484 444287933 /nfs/dbraw/zinc/28/79/33/444287933.db2.gz VXTDLWJYEPHZNW-ZMSDIMECSA-N 1 0 329.400 1.495 40 0 EDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 ZINC000306143748 444288321 /nfs/dbraw/zinc/28/83/21/444288321.db2.gz YLJBKUOXPNDLKE-CRAIPNDOSA-N 1 0 344.455 1.949 40 0 EDABRO C[C@@]1([NH2+]CCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 ZINC000575423161 447857592 /nfs/dbraw/zinc/85/75/92/447857592.db2.gz YMPJFDURSBYXJW-CQSZACIVSA-N 1 0 327.475 1.140 40 0 EDABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288998 448159856 /nfs/dbraw/zinc/15/98/56/448159856.db2.gz HWVNBWPPEFDGTO-ZWKOTPCHSA-N 1 0 343.471 1.288 40 0 biogenic,in-vitro EDABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1 ZINC000585097875 448682810 /nfs/dbraw/zinc/68/28/10/448682810.db2.gz SLWIXUAIDYDPMU-INIZCTEOSA-N 1 0 330.407 1.927 40 0 EDABRO Cn1cncc1C[N@@H+]1CCC[C@]2(CCC(=O)N2C[C@H]2CCCO2)CC1 ZINC000585099796 448684893 /nfs/dbraw/zinc/68/48/93/448684893.db2.gz AWJJHGOEKNGKJV-MJGOQNOKSA-N 1 0 346.475 1.946 40 0 EDABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000585285192 448731404 /nfs/dbraw/zinc/73/14/04/448731404.db2.gz OZMOCBQMDOGXLO-AZUAARDMSA-N 1 0 340.423 1.414 40 0 EDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCCCC2)[C@@H](O)C1 ZINC000585283810 448731660 /nfs/dbraw/zinc/73/16/60/448731660.db2.gz HVRPHSWSIAFKPQ-ICSRJNTNSA-N 1 0 346.471 1.429 40 0 EDABRO Cn1cc(C(=O)N2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)cn1 ZINC000257222046 536053240 /nfs/dbraw/zinc/05/32/40/536053240.db2.gz DRQWSADBGQYZRN-UHFFFAOYSA-N 1 0 342.447 1.367 40 0 EDABRO C[N@H+](CCC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)Cc1cccnc1 ZINC000257230407 536304690 /nfs/dbraw/zinc/30/46/90/536304690.db2.gz GCEICFLJSLUEKR-WMZOPIPTSA-N 1 0 333.432 1.046 40 0 EDABRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1 ZINC000036300043 213083553 /nfs/dbraw/zinc/08/35/53/213083553.db2.gz JQFAWDFWZWIKMR-UHFFFAOYSA-N 1 0 333.251 1.822 40 0 EDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000072908570 216327712 /nfs/dbraw/zinc/32/77/12/216327712.db2.gz OXWWSLOWEMEHMK-KRWDZBQOSA-N 1 0 329.444 1.767 40 0 EDABRO CC(C)C[C@H](NC(=O)[C@@H](NCC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000022028907 212272698 /nfs/dbraw/zinc/27/26/98/212272698.db2.gz UABCFHFXPFDWCS-IRXDYDNUSA-N 1 0 348.491 1.729 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H]([NH3+])[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218173890 241303276 /nfs/dbraw/zinc/30/32/76/241303276.db2.gz YCKAMNPVQMGNAF-GVDBMIGSSA-N 1 0 331.393 1.991 40 0 EDABRO O=C(c1cc(=O)c2ccccc2o1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257215666 244167769 /nfs/dbraw/zinc/16/77/69/244167769.db2.gz CRDMKYKCQYQNGD-IBGZPJMESA-N 1 0 342.395 1.466 40 0 EDABRO Cc1ncccc1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257217334 244169780 /nfs/dbraw/zinc/16/97/80/244169780.db2.gz CYNDDBOEHIXPSK-HNNXBMFYSA-N 1 0 326.400 1.841 40 0 EDABRO CC[NH+]1CCC(N2CCC[C@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222801 244191400 /nfs/dbraw/zinc/19/14/00/244191400.db2.gz DUSOQJOJDIFIEA-SFHVURJKSA-N 1 0 331.464 1.734 40 0 EDABRO CN(C)C(=O)[C@H]1CN(CC2=Cc3ccccc3OC2)CC[N@H+](C)C1 ZINC000257270770 244377538 /nfs/dbraw/zinc/37/75/38/244377538.db2.gz MVPACKHUWOIGBO-QGZVFWFLSA-N 1 0 329.444 1.414 40 0 EDABRO CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)C[NH3+] ZINC000079392922 217219584 /nfs/dbraw/zinc/21/95/84/217219584.db2.gz AFXLMVJKLZNEJR-UHFFFAOYSA-N 1 0 333.432 1.842 40 0 EDABRO [NH3+]CC(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079412613 217222395 /nfs/dbraw/zinc/22/23/95/217222395.db2.gz ZZZVBQLVKCCZIG-UHFFFAOYSA-N 1 0 345.443 1.985 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079428175 217223647 /nfs/dbraw/zinc/22/36/47/217223647.db2.gz NWDZJCVJRLHSSM-INIZCTEOSA-N 1 0 333.432 1.887 40 0 EDABRO O=C(N1CCCC1)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000012366010 211356824 /nfs/dbraw/zinc/35/68/24/211356824.db2.gz NGSVPKRRRKJYQU-RDTXWAMCSA-N 1 0 333.432 1.713 40 0 EDABRO Cn1cc([C@H](O)C[NH+]2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000036741317 132392944 /nfs/dbraw/zinc/39/29/44/132392944.db2.gz AFIZAACUIUFHCQ-GOSISDBHSA-N 1 0 337.427 1.824 40 0 EDABRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@H](CCO)CC3)cc2C1 ZINC000333240638 141286241 /nfs/dbraw/zinc/28/62/41/141286241.db2.gz DTZYHIIVHVKDEV-DZGCQCFKSA-N 1 0 332.448 1.914 40 0 EDABRO CNC(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2O1 ZINC000096218887 277232419 /nfs/dbraw/zinc/23/24/19/277232419.db2.gz RQHVXCXXAMXTMV-RRQGHBQHSA-N 1 0 334.416 1.429 40 0 EDABRO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C1CC[NH+](C)CC1 ZINC000257260630 295392048 /nfs/dbraw/zinc/39/20/48/295392048.db2.gz LDRKNYWWLFIMTB-SFHVURJKSA-N 1 0 331.460 1.995 40 0 EDABRO CC[C@H](C(=O)NCCC[NH+](C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013711808 441165429 /nfs/dbraw/zinc/16/54/29/441165429.db2.gz CDVXQBWYIRQHQE-OAHLLOKOSA-N 1 0 341.477 1.299 40 0 EDABRO CN(c1ncccn1)[C@H]1CO[C@]2(CC[N@H+](Cc3cncn3C)C2)C1 ZINC000107226761 441404476 /nfs/dbraw/zinc/40/44/76/441404476.db2.gz HSRVEPUIZZWXEP-RHSMWYFYSA-N 1 0 328.420 1.080 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525885 441458972 /nfs/dbraw/zinc/45/89/72/441458972.db2.gz NDIOSXSUMRLJBH-AEFFLSMTSA-N 1 0 332.448 1.271 40 0 EDABRO COCCNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108531967 441460169 /nfs/dbraw/zinc/46/01/69/441460169.db2.gz SYBDUMTWVVUHHZ-WMZOPIPTSA-N 1 0 334.464 1.483 40 0 EDABRO C=C1NC(NN)=[NH+][C@@H](c2ccc(O)c(OCC)c2)C1C(=O)OCC ZINC000033445667 441595033 /nfs/dbraw/zinc/59/50/33/441595033.db2.gz KAZIDDXGMXBDHY-AWEZNQCLSA-N 1 0 334.376 1.092 40 0 EDABRO C[NH+](C)CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000040639928 441629570 /nfs/dbraw/zinc/62/95/70/441629570.db2.gz FQPZLMMGBBRMPE-UHFFFAOYSA-N 1 0 339.461 1.298 40 0 EDABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)o1 ZINC000096049502 441997628 /nfs/dbraw/zinc/99/76/28/441997628.db2.gz KIQFGRWPRHMOCU-SFHVURJKSA-N 1 0 345.447 1.821 40 0 EDABRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](CC1CC1)C2 ZINC000096050201 441998160 /nfs/dbraw/zinc/99/81/60/441998160.db2.gz ZMTQZWHLUQAROK-SFHVURJKSA-N 1 0 328.416 1.131 40 0 EDABRO c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](CC2CCOCC2)C3)cn1 ZINC000096052085 442000754 /nfs/dbraw/zinc/00/07/54/442000754.db2.gz BLYASCITYFFUQL-ZWKOTPCHSA-N 1 0 335.448 1.417 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096040762 441986469 /nfs/dbraw/zinc/98/64/69/441986469.db2.gz LKSHHUSPFHDACY-OAGGEKHMSA-N 1 0 339.399 1.205 40 0 EDABRO O=C(C[C@@H]1C[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2O1)N1CCCCO1 ZINC000096218749 442089526 /nfs/dbraw/zinc/08/95/26/442089526.db2.gz BEQRNCNZBRFYEH-YESZJQIVSA-N 1 0 338.448 1.446 40 0 EDABRO O=C(NC1CC1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]12 ZINC000096219478 442090480 /nfs/dbraw/zinc/09/04/80/442090480.db2.gz NHPMUCLISXWLBN-ZIFCJYIRSA-N 1 0 337.423 1.960 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)cn1 ZINC000096222586 442093042 /nfs/dbraw/zinc/09/30/42/442093042.db2.gz JBCTUKLDMJBKBV-RDJZCZTQSA-N 1 0 329.404 1.413 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)cn1 ZINC000096185522 442059282 /nfs/dbraw/zinc/05/92/82/442059282.db2.gz ZBWXDWIHDJIDFL-HRCADAONSA-N 1 0 328.420 1.159 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)o1 ZINC000096185494 442059751 /nfs/dbraw/zinc/05/97/51/442059751.db2.gz ZACGPJULOWWTHL-JLJPHGGASA-N 1 0 345.399 1.843 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](N4CCN(C)CC4)[C@@H]3C2)cc1 ZINC000096185726 442061205 /nfs/dbraw/zinc/06/12/05/442061205.db2.gz SXFVPSZSJNNESO-RLLQIKCJSA-N 1 0 345.487 1.389 40 0 EDABRO COc1ccc(CC(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC000096188228 442065415 /nfs/dbraw/zinc/06/54/15/442065415.db2.gz JYGTZAYTAXPFNR-MRXNPFEDSA-N 1 0 342.443 1.654 40 0 EDABRO C[NH+](C)CCN1CCOC[C@@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096229385 442096389 /nfs/dbraw/zinc/09/63/89/442096389.db2.gz GAOWKCAYUZYYON-KRWDZBQOSA-N 1 0 339.505 1.213 40 0 EDABRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 ZINC000096197559 442071529 /nfs/dbraw/zinc/07/15/29/442071529.db2.gz QPMMWOMJKAOFJA-UHFFFAOYSA-N 1 0 347.488 1.946 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)[C@H]1CC=CCC1)C2 ZINC000096198536 442072401 /nfs/dbraw/zinc/07/24/01/442072401.db2.gz CUAHIMKQAJDPGB-GJZGRUSLSA-N 1 0 347.463 1.175 40 0 EDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2C(=O)Cc2cccs2)cn1 ZINC000096200919 442074835 /nfs/dbraw/zinc/07/48/35/442074835.db2.gz RATYLMYYLSLCIG-CVEARBPZSA-N 1 0 332.473 1.798 40 0 EDABRO O=C([C@@H]1CO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C1)N1CCCO1 ZINC000096205783 442079687 /nfs/dbraw/zinc/07/96/87/442079687.db2.gz CBJNIMJEPXBXKV-YQQAZPJKSA-N 1 0 331.416 1.473 40 0 EDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1cccnc1OC)CC2 ZINC000096208263 442082933 /nfs/dbraw/zinc/08/29/33/442082933.db2.gz ZDQMROKGQOYNNM-CQSZACIVSA-N 1 0 333.432 1.663 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096208989 442084993 /nfs/dbraw/zinc/08/49/93/442084993.db2.gz RHDAOMFFUXAXJK-INIZCTEOSA-N 1 0 333.432 1.310 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(S(C)(=O)=O)C2 ZINC000096215478 442086965 /nfs/dbraw/zinc/08/69/65/442086965.db2.gz YMIPSQARRLINOF-OAHLLOKOSA-N 1 0 327.450 1.539 40 0 EDABRO O=C(NCC[NH+]1CCCC1)c1nc2c(o1)CN(Cc1cccnc1)C2 ZINC000096266017 442108974 /nfs/dbraw/zinc/10/89/74/442108974.db2.gz GLSLAIZLZMGSMB-UHFFFAOYSA-N 1 0 341.415 1.411 40 0 EDABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000096230256 442097474 /nfs/dbraw/zinc/09/74/74/442097474.db2.gz BTWBYENQPHYNKG-UHFFFAOYSA-N 1 0 336.505 1.908 40 0 EDABRO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](Cc3cccnc3)C1)COC2 ZINC000096243987 442101083 /nfs/dbraw/zinc/10/10/83/442101083.db2.gz BXNWXUQAPKCJLB-SFHVURJKSA-N 1 0 325.416 1.612 40 0 EDABRO Cc1cc(C(=O)N2CC[C@@H]3OCCN(CC[NH+](C)C)[C@H]3CC2)c(C)o1 ZINC000096249256 442102754 /nfs/dbraw/zinc/10/27/54/442102754.db2.gz QEWJOMDRUNQROY-ROUUACIJSA-N 1 0 349.475 1.763 40 0 EDABRO O=S(=O)(C1CC1)N1CCO[C@@H]2CC[N@H+](Cc3ccoc3)CC[C@H]21 ZINC000096249481 442103387 /nfs/dbraw/zinc/10/33/87/442103387.db2.gz HHJDPSPTYHJBCN-HZPDHXFCSA-N 1 0 340.445 1.437 40 0 EDABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)c1 ZINC000257290534 443133321 /nfs/dbraw/zinc/13/33/21/443133321.db2.gz QDISTQUFOXHAHQ-KRWDZBQOSA-N 1 0 343.431 1.927 40 0 EDABRO O=C(C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000257291728 443133517 /nfs/dbraw/zinc/13/35/17/443133517.db2.gz QIJJQDPDXOYXMT-VQFNDLOPSA-N 1 0 330.428 1.635 40 0 EDABRO CNc1ncccc1C[N@@H+]1CC[C@@H]2OCC(=O)N(CC(C)C)[C@H]2CC1 ZINC000257292396 443134354 /nfs/dbraw/zinc/13/43/54/443134354.db2.gz QLGYFDDTRRYBHL-IRXDYDNUSA-N 1 0 346.475 1.971 40 0 EDABRO O=C(N1CC[C@](O)(C[NH+]2CCCC2)C1)C1(c2ccccc2F)CC1 ZINC000257299104 443136940 /nfs/dbraw/zinc/13/69/40/443136940.db2.gz ROSOOLBKJNOKLW-SFHVURJKSA-N 1 0 332.419 1.917 40 0 EDABRO NC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000257302293 443138400 /nfs/dbraw/zinc/13/84/00/443138400.db2.gz SCJGYFSCSAUPIC-GFCCVEGCSA-N 1 0 329.404 1.187 40 0 EDABRO Cn1nc(N)c2ccc([C@@H]3CCCN(C(=O)C4([NH3+])CCCC4)C3)nc21 ZINC000257302889 443138779 /nfs/dbraw/zinc/13/87/79/443138779.db2.gz SEVVIYWMRRDQQX-GFCCVEGCSA-N 1 0 342.447 1.528 40 0 EDABRO CN1CCC([N@@H+]2CCC[C@@H](Cc3cc(C(N)=O)ncn3)CC2)CC1 ZINC000257317589 443145119 /nfs/dbraw/zinc/14/51/19/443145119.db2.gz VKKHHNYSXDFWHJ-CQSZACIVSA-N 1 0 331.464 1.314 40 0 EDABRO COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)C[NH3+])c1 ZINC000257279488 443128449 /nfs/dbraw/zinc/12/84/49/443128449.db2.gz OGWVZKLKROXRRH-OAHLLOKOSA-N 1 0 341.415 1.747 40 0 EDABRO CN(C)c1cc(CC[C@H]2CN(C(=O)C3CC[NH2+]CC3)CCO2)ccn1 ZINC000257283382 443129409 /nfs/dbraw/zinc/12/94/09/443129409.db2.gz OYBAIPCKJFMEEY-KRWDZBQOSA-N 1 0 346.475 1.307 40 0 EDABRO O=C(C1CC1)N1CC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000257341592 443156108 /nfs/dbraw/zinc/15/61/08/443156108.db2.gz ZKZIOBMOMWNIDB-IBGZPJMESA-N 1 0 329.444 1.182 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306126103 444285217 /nfs/dbraw/zinc/28/52/17/444285217.db2.gz DNACZGGXNRWKSQ-KGLIPLIRSA-N 1 0 343.406 1.471 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306127547 444285833 /nfs/dbraw/zinc/28/58/33/444285833.db2.gz GBNHLNNBTXDALT-KBPBESRZSA-N 1 0 329.404 1.314 40 0 EDABRO Cc1nc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCCCC2)c[nH]1 ZINC000585097417 448681028 /nfs/dbraw/zinc/68/10/28/448681028.db2.gz LMDRULDPMSGVMU-OAHLLOKOSA-N 1 0 342.447 1.815 40 0 EDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382210 449219943 /nfs/dbraw/zinc/21/99/43/449219943.db2.gz KVVODTDSDBMMPK-BRSBDYLESA-N 1 0 331.460 1.787 40 0 biogenic,in-vitro EDABRO Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382225 449220232 /nfs/dbraw/zinc/22/02/32/449220232.db2.gz LPFMDDXDHJBZDB-NCXUSEDFSA-N 1 0 345.418 1.614 40 0 biogenic,in-vitro EDABRO CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257254013 534321180 /nfs/dbraw/zinc/32/11/80/534321180.db2.gz KBFUTMCOCLHDCZ-LNLFQRSKSA-N 1 0 329.444 1.649 40 0 EDABRO C[NH+](C)C[C@@H]1CO[C@@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@H]12 ZINC000248053261 535948157 /nfs/dbraw/zinc/94/81/57/535948157.db2.gz XUONVGFBGOGWFO-IIDMSEBBSA-N 1 0 346.427 1.497 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065019 282109277 /nfs/dbraw/zinc/10/92/77/282109277.db2.gz DPBVLBJZRJBCRS-SJLPKXTDSA-N 1 0 348.447 1.066 40 0 EDABRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC000097952739 219064226 /nfs/dbraw/zinc/06/42/26/219064226.db2.gz IIANKUMIMVBQDX-LJQANCHMSA-N 1 0 345.443 1.208 40 0 EDABRO c1c(CC2([NH2+]CC3CCCCC3)COC2)noc1CN1CCOCC1 ZINC000067898379 215245218 /nfs/dbraw/zinc/24/52/18/215245218.db2.gz NIASXUWKTSLCHC-UHFFFAOYSA-N 1 0 349.475 1.988 40 0 biogenic,in-vitro EDABRO NC(=O)CC[NH+]1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257292699 283285409 /nfs/dbraw/zinc/28/54/09/283285409.db2.gz QMPLNMJLWAJYQS-WMLDXEAASA-N 1 0 346.427 1.962 40 0 EDABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccnc(N2CCSCC2)n1 ZINC000072324590 216150976 /nfs/dbraw/zinc/15/09/76/216150976.db2.gz YLYPAVACJISXTG-HOCLYGCPSA-N 1 0 333.505 1.698 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360925 216167596 /nfs/dbraw/zinc/16/75/96/216167596.db2.gz HXEMAVOCUOJFJP-GFCCVEGCSA-N 1 0 332.433 1.868 40 0 EDABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 ZINC000072394825 216193222 /nfs/dbraw/zinc/19/32/22/216193222.db2.gz RKJWBTBHIXKZQT-KRWDZBQOSA-N 1 0 325.412 1.976 40 0 EDABRO C[NH+](C)CCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000225814809 242050107 /nfs/dbraw/zinc/05/01/07/242050107.db2.gz SWLISOCXNRIYML-UHFFFAOYSA-N 1 0 345.440 1.050 40 0 EDABRO c1ccc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000253596539 244031046 /nfs/dbraw/zinc/03/10/46/244031046.db2.gz SNDXCMOLZYGYGD-RBUKOAKNSA-N 1 0 331.460 1.927 40 0 EDABRO O=C(c1cnco1)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257205801 244133523 /nfs/dbraw/zinc/13/35/23/244133523.db2.gz BAPJSBXCOCEHEL-GOSISDBHSA-N 1 0 327.384 1.310 40 0 EDABRO O=C(c1cncs1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257231075 244213748 /nfs/dbraw/zinc/21/37/48/244213748.db2.gz GFCHZUSJUYUOHW-SFHVURJKSA-N 1 0 343.452 1.778 40 0 EDABRO O=C(CCn1cnc2ccccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257327038 244537764 /nfs/dbraw/zinc/53/77/64/244537764.db2.gz WZPUEVSHHBRBER-LJQANCHMSA-N 1 0 342.443 1.486 40 0 EDABRO Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)o1 ZINC000019748091 212061211 /nfs/dbraw/zinc/06/12/11/212061211.db2.gz KPCLZZVNZDTIPF-OAHLLOKOSA-N 1 0 348.447 1.356 40 0 EDABRO C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCC[NH+]1CCCC1 ZINC000019576240 212045718 /nfs/dbraw/zinc/04/57/18/212045718.db2.gz PRDMVUACVHYQFM-QMTMVMCOSA-N 1 0 341.411 1.286 40 0 EDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 ZINC000019368648 212023294 /nfs/dbraw/zinc/02/32/94/212023294.db2.gz NDIZNYOHQBDYHD-CQSZACIVSA-N 1 0 336.399 1.415 40 0 EDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1ccccc1 ZINC000019369067 212023072 /nfs/dbraw/zinc/02/30/72/212023072.db2.gz IHTVYRSRZCSGBA-AWEZNQCLSA-N 1 0 336.399 1.333 40 0 EDABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C=C1NNC(=O)[C@H]2C=CC=C[C@H]12 ZINC000012362934 211356279 /nfs/dbraw/zinc/35/62/79/211356279.db2.gz UAKPYRQPXYEEHT-PMPSAXMXSA-N 1 0 344.459 1.601 40 0 EDABRO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 ZINC000096197554 218666792 /nfs/dbraw/zinc/66/67/92/218666792.db2.gz WJCWTOLTOSIRFI-UHFFFAOYSA-N 1 0 347.488 1.948 40 0 EDABRO Cc1nc2c(nnn2Cc2ccccc2F)c(N2CC[NH+](C)CC2)n1 ZINC000004985356 210350252 /nfs/dbraw/zinc/35/02/52/210350252.db2.gz WNTAEBRQHNFOBA-UHFFFAOYSA-N 1 0 341.394 1.469 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C(C)C)CCN2C(C)(C)C1 ZINC000514289887 257845696 /nfs/dbraw/zinc/84/56/96/257845696.db2.gz PMUAOIASGIDOOI-OAHLLOKOSA-N 1 0 331.526 1.461 40 0 biogenic,in-vitro EDABRO Cn1cc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139062 257923842 /nfs/dbraw/zinc/92/38/42/257923842.db2.gz SOHKUPKMVOUKHZ-ZBFHGGJFSA-N 1 0 334.427 1.983 40 0 EDABRO CCC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000007262299 441043664 /nfs/dbraw/zinc/04/36/64/441043664.db2.gz CPCIHCUJWFXKHO-UHFFFAOYSA-N 1 0 331.210 1.821 40 0 EDABRO Cc1c(Cl)cccc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000013672038 441163492 /nfs/dbraw/zinc/16/34/92/441163492.db2.gz KRDDBOYFNNBJTL-UHFFFAOYSA-N 1 0 347.868 1.092 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536516 441462018 /nfs/dbraw/zinc/46/20/18/441462018.db2.gz MGADSNVINHDKGA-GOEBONIOSA-N 1 0 338.402 1.890 40 0 EDABRO O=C(NCCc1ccccn1)[C@@H]1CCO[C@@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC000096043378 441993048 /nfs/dbraw/zinc/99/30/48/441993048.db2.gz GQWGRZLBFIUDSZ-CEXWTWQISA-N 1 0 343.471 1.877 40 0 EDABRO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049478 441998749 /nfs/dbraw/zinc/99/87/49/441998749.db2.gz JCVPFMXOUAFIIZ-QGZVFWFLSA-N 1 0 337.489 1.409 40 0 EDABRO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2cn[nH]n2)C3)c1 ZINC000096049495 441998794 /nfs/dbraw/zinc/99/87/94/441998794.db2.gz CUJLVTXBAVASJG-QGZVFWFLSA-N 1 0 347.488 1.981 40 0 EDABRO c1cc(CN2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052029 441999787 /nfs/dbraw/zinc/99/97/87/441999787.db2.gz MDFLFNLRLXNNOU-MOPGFXCFSA-N 1 0 331.460 1.785 40 0 EDABRO O=C([C@@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2)N1CCOCC1 ZINC000096052224 442001502 /nfs/dbraw/zinc/00/15/02/442001502.db2.gz SUUDRIOWAKLZBP-KRWDZBQOSA-N 1 0 345.443 1.169 40 0 EDABRO Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CC[N@@H+](C2CCCC2)C3)cn1 ZINC000096038804 441985138 /nfs/dbraw/zinc/98/51/38/441985138.db2.gz LBMCJPUAKWONEY-IEBWSBKVSA-N 1 0 344.459 1.825 40 0 EDABRO COCCNC(=O)[C@H]1C[N@H+](CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096041138 441988141 /nfs/dbraw/zinc/98/81/41/441988141.db2.gz YDMDDXIVPFMXQN-OKZBNKHCSA-N 1 0 332.444 1.329 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCOCC1 ZINC000096057234 442005069 /nfs/dbraw/zinc/00/50/69/442005069.db2.gz GLXIYSDWBCGAIM-NUJGCVRESA-N 1 0 345.443 1.025 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]21)c1cccnc1 ZINC000096056213 442002459 /nfs/dbraw/zinc/00/24/59/442002459.db2.gz WIGRYQORBFZAQE-RYQLBKOJSA-N 1 0 341.411 1.942 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21)c1cccnc1 ZINC000096056215 442002829 /nfs/dbraw/zinc/00/28/29/442002829.db2.gz UBXRAFMTRWNLCJ-OKZBNKHCSA-N 1 0 341.411 1.942 40 0 EDABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)O1)N1CCCCO1 ZINC000096057399 442004803 /nfs/dbraw/zinc/00/48/03/442004803.db2.gz WZRZETKDJYPQDG-ZACQAIPSSA-N 1 0 331.416 1.758 40 0 EDABRO CCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096109451 442034815 /nfs/dbraw/zinc/03/48/15/442034815.db2.gz YAKBDSVJBWXJQH-JQHSSLGASA-N 1 0 346.475 1.783 40 0 EDABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 ZINC000096111596 442036584 /nfs/dbraw/zinc/03/65/84/442036584.db2.gz WGRJZZBBBPDABA-INMHGKMJSA-N 1 0 346.452 1.704 40 0 biogenic,in-vitro EDABRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 ZINC000096219582 442090922 /nfs/dbraw/zinc/09/09/22/442090922.db2.gz JTHLGIYEZXSOMJ-GOEBONIOSA-N 1 0 332.383 1.195 40 0 EDABRO O=C([C@@H]1CCOC1)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157573 442048121 /nfs/dbraw/zinc/04/81/21/442048121.db2.gz YJUDTJSGYGBTER-MRXNPFEDSA-N 1 0 329.444 1.933 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)cn1 ZINC000096158298 442048181 /nfs/dbraw/zinc/04/81/81/442048181.db2.gz GOWZBGRTYSVZKS-KRWDZBQOSA-N 1 0 330.411 1.842 40 0 EDABRO c1cn2c(n1)C[N@H+](C[C@@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000096188137 442066081 /nfs/dbraw/zinc/06/60/81/442066081.db2.gz CIPQPPFWMORJAI-DLBZAZTESA-N 1 0 342.443 1.963 40 0 EDABRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CC[NH+](Cc1ccco1)CC2 ZINC000096201608 442076152 /nfs/dbraw/zinc/07/61/52/442076152.db2.gz JGTMTMVEYBXMSF-CQSZACIVSA-N 1 0 344.415 1.800 40 0 EDABRO Cn1ccnc1CN1CC[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096202074 442077343 /nfs/dbraw/zinc/07/73/43/442077343.db2.gz JCSHTVOMUKFDLO-IBGZPJMESA-N 1 0 341.459 1.540 40 0 EDABRO CN(C)C(=O)COC[C@@H]1CC2(CO1)CC[NH+](Cc1cccnc1)CC2 ZINC000096208566 442082798 /nfs/dbraw/zinc/08/27/98/442082798.db2.gz MNABQBPFVBNTTG-KRWDZBQOSA-N 1 0 347.459 1.558 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@@H]2OC ZINC000096215110 442085729 /nfs/dbraw/zinc/08/57/29/442085729.db2.gz QXVJHFRJSBTFGW-ZNMIVQPWSA-N 1 0 325.478 1.619 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@H]2OC[C@H](C(=O)Nc3cccnc3)[C@H]2C1 ZINC000096215909 442087445 /nfs/dbraw/zinc/08/74/45/442087445.db2.gz CDQWAIUYLDQFAL-IXDOHACOSA-N 1 0 342.399 1.772 40 0 EDABRO O=C(c1nccn2ccnc12)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450192 442134791 /nfs/dbraw/zinc/13/47/91/442134791.db2.gz FSYAADNGAMIQOG-RRFJBIMHSA-N 1 0 325.416 1.676 40 0 EDABRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096251715 442104836 /nfs/dbraw/zinc/10/48/36/442104836.db2.gz GAPJWRQEHRINEP-BZSNNMDCSA-N 1 0 339.443 1.962 40 0 EDABRO Cc1cccc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)n1 ZINC000096255710 442106102 /nfs/dbraw/zinc/10/61/02/442106102.db2.gz VFJKJSFBWQQOEV-UHFFFAOYSA-N 1 0 339.443 1.617 40 0 EDABRO C[NH+]1CCN(c2ccc(NC(=S)NC[C@H]3CCCO3)cn2)CC1 ZINC000223898642 443094775 /nfs/dbraw/zinc/09/47/75/443094775.db2.gz FLELWTRWTHCZPC-CQSZACIVSA-N 1 0 335.477 1.299 40 0 EDABRO Cc1cncc(C[N@@H+]2CC[C@H](n3cc(C)c(=O)[nH]c3=O)[C@@](C)(O)C2)c1 ZINC000257214558 443125039 /nfs/dbraw/zinc/12/50/39/443125039.db2.gz CMLKIGFHXILSAL-YJBOKZPZSA-N 1 0 344.415 1.159 40 0 EDABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1C1CC[NH+](C)CC1 ZINC000257260629 443126668 /nfs/dbraw/zinc/12/66/68/443126668.db2.gz LDRKNYWWLFIMTB-GOSISDBHSA-N 1 0 331.460 1.995 40 0 EDABRO COCC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CC[N@@H+]2C ZINC000306123380 444284722 /nfs/dbraw/zinc/28/47/22/444284722.db2.gz ALTWRQVVGRVDJF-OAHLLOKOSA-N 1 0 333.432 1.167 40 0 EDABRO CN(C)c1cc(N2C[C@H]3OC[C@@H](C[NH+]4CCCCC4)[C@H]3C2)ncn1 ZINC000306123363 444284881 /nfs/dbraw/zinc/28/48/81/444284881.db2.gz AKYUGMHIYZQJEV-BZUAXINKSA-N 1 0 331.464 1.480 40 0 EDABRO 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O=C(CN1CCOCC1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257205376 244134641 /nfs/dbraw/zinc/13/46/41/244134641.db2.gz AYSYKBHZYVYUML-QZTJIDSGSA-N 1 0 335.492 1.574 40 0 EDABRO Cc1c[nH]c([C@H]2COCCN2C(=O)CC[N@@H+](C)Cc2ccccn2)n1 ZINC000257200353 244116737 /nfs/dbraw/zinc/11/67/37/244116737.db2.gz ACYFDEAVOAKEKK-MRXNPFEDSA-N 1 0 343.431 1.535 40 0 EDABRO CS(=O)(=O)N1CCC([NH+]2CCC(Cc3ccncc3)CC2)CC1 ZINC000257226101 244201461 /nfs/dbraw/zinc/20/14/61/244201461.db2.gz FJDWUBQBWDYVBW-UHFFFAOYSA-N 1 0 337.489 1.760 40 0 EDABRO COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2O)cc1 ZINC000257226351 244201780 /nfs/dbraw/zinc/20/17/80/244201780.db2.gz FKIIBIIYIIVLJV-QZTJIDSGSA-N 1 0 341.411 1.408 40 0 EDABRO O=C(C[N@@H+]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000257256066 244280617 /nfs/dbraw/zinc/28/06/17/244280617.db2.gz KJYMTMQGTIDPKQ-BWTSREIZSA-N 1 0 344.455 1.772 40 0 EDABRO CCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)CC2)c1C ZINC000257265868 244362130 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Cn1cc(C[N@@H+]2C[C@H]3C[C@H](CNC(=O)c4ccsc4)O[C@H]3C2)cn1 ZINC000096251663 218722752 /nfs/dbraw/zinc/72/27/52/218722752.db2.gz AANVARRETJSOLI-OAGGEKHMSA-N 1 0 346.456 1.501 40 0 EDABRO C[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000329016465 257905468 /nfs/dbraw/zinc/90/54/68/257905468.db2.gz NGXWZNHXLJTGAJ-SNVBAGLBSA-N 1 0 334.370 1.881 40 0 EDABRO COc1ncccc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC000096246204 274170382 /nfs/dbraw/zinc/17/03/82/274170382.db2.gz GKJJHBZLWLIMBF-GDBMZVCRSA-N 1 0 325.416 1.839 40 0 EDABRO CN1CCC([N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000067897184 277029162 /nfs/dbraw/zinc/02/91/62/277029162.db2.gz MVZUMVGDXIJTLZ-MSOLQXFVSA-N 1 0 347.434 1.332 40 0 biogenic,in-vitro EDABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193710 277269165 /nfs/dbraw/zinc/26/91/65/277269165.db2.gz KDGARTSPQVYESW-RWMBFGLXSA-N 1 0 348.262 1.551 40 0 EDABRO CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@@H+](C3CCCCC3)CCN21 ZINC000253395213 278340029 /nfs/dbraw/zinc/34/00/29/278340029.db2.gz BRJGIASNLUVTRY-HNNXBMFYSA-N 1 0 329.510 1.359 40 0 biogenic,in-vitro EDABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnn3C)CCO2)[nH+]1 ZINC000257343696 280537080 /nfs/dbraw/zinc/53/70/80/280537080.db2.gz ZUAWRBHWBRQYMM-MRXNPFEDSA-N 1 0 329.404 1.403 40 0 EDABRO Cc1nn(CCC(=O)NCCC[NH+](C)C)c(C)c1Br ZINC000002781958 440877324 /nfs/dbraw/zinc/87/73/24/440877324.db2.gz DHESNZAYVQMMDC-UHFFFAOYSA-N 1 0 331.258 1.720 40 0 EDABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000044883455 440898877 /nfs/dbraw/zinc/89/88/77/440898877.db2.gz VEQHBYOLIKQWLU-CQSZACIVSA-N 1 0 339.867 1.861 40 0 EDABRO C[N@@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019082889 441254569 /nfs/dbraw/zinc/25/45/69/441254569.db2.gz GEOSDODXIVTPDD-HNAYVOBHSA-N 1 0 329.444 1.578 40 0 EDABRO COCc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1CCc1ccccc1 ZINC000022448740 441280467 /nfs/dbraw/zinc/28/04/67/441280467.db2.gz MWKVOOVSAYUYTN-UHFFFAOYSA-N 1 0 342.443 1.453 40 0 EDABRO O=C(N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1)N1CCOCC1 ZINC000107196299 441403118 /nfs/dbraw/zinc/40/31/18/441403118.db2.gz SMVVZPUNZOYQFD-IYBDPMFKSA-N 1 0 333.407 1.642 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108525065 441458781 /nfs/dbraw/zinc/45/87/81/441458781.db2.gz SZLDTJQONFCOQO-UHFFFAOYSA-N 1 0 338.477 1.165 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)o1 ZINC000108526109 441459149 /nfs/dbraw/zinc/45/91/49/441459149.db2.gz UUADHUHXSDFCBS-AWEZNQCLSA-N 1 0 342.461 1.651 40 0 EDABRO Nc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000031343314 441522612 /nfs/dbraw/zinc/52/26/12/441522612.db2.gz HREXQHZXEKRKSY-GOSISDBHSA-N 1 0 327.428 1.831 40 0 EDABRO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000077261923 441742839 /nfs/dbraw/zinc/74/28/39/441742839.db2.gz FQCYHRSNFAXDDO-PSBWJHGTSA-N 1 0 344.411 1.466 40 0 biogenic,in-vitro EDABRO CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000096052007 441999960 /nfs/dbraw/zinc/99/99/60/441999960.db2.gz BJROJFCKNVYNAG-WMZOPIPTSA-N 1 0 339.480 1.650 40 0 EDABRO c1cncc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052343 442000885 /nfs/dbraw/zinc/00/08/85/442000885.db2.gz FZTUUTIRZIHIFQ-MOPGFXCFSA-N 1 0 331.460 1.927 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1 ZINC000096041090 441988905 /nfs/dbraw/zinc/98/89/05/441988905.db2.gz HOZBBSGGMXYCIF-BZUAXINKSA-N 1 0 339.399 1.632 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21)NCC1CC1 ZINC000096057164 442005365 /nfs/dbraw/zinc/00/53/65/442005365.db2.gz UJHGAXSFYRIQMF-KFWWJZLASA-N 1 0 335.473 1.754 40 0 EDABRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC000096055014 442002772 /nfs/dbraw/zinc/00/27/72/442002772.db2.gz ARRYSNRQDNUHPZ-SJLPKXTDSA-N 1 0 340.427 1.823 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCCC1 ZINC000096057212 442004874 /nfs/dbraw/zinc/00/48/74/442004874.db2.gz VVFHWRZEEUNDTB-NUJGCVRESA-N 1 0 329.444 1.789 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)cn1 ZINC000096061167 442008017 /nfs/dbraw/zinc/00/80/17/442008017.db2.gz BIKRWWBTWYOLKN-INIZCTEOSA-N 1 0 332.448 1.460 40 0 EDABRO CN(C)C(=O)CO[C@H]1CO[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000096072344 442019195 /nfs/dbraw/zinc/01/91/95/442019195.db2.gz UBXRWUZKDUZISX-SJLPKXTDSA-N 1 0 336.407 1.664 40 0 EDABRO O=C(c1ncccn1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108234 442031193 /nfs/dbraw/zinc/03/11/93/442031193.db2.gz XCDLTCBEJLJKFK-LSDHHAIUSA-N 1 0 344.440 1.511 40 0 EDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)COc3ccccc3OC)C[C@@H]2C1 ZINC000096107968 442031218 /nfs/dbraw/zinc/03/12/18/442031218.db2.gz XZVQYDVLDQYXQU-WMLDXEAASA-N 1 0 334.416 1.253 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)N1CCCC1 ZINC000096108308 442032025 /nfs/dbraw/zinc/03/20/25/442032025.db2.gz YKKBJOMAIKESRY-AEFFLSMTSA-N 1 0 330.432 1.335 40 0 EDABRO C[NH+]1CCC2(C[C@H](COCC3CC3)N(S(=O)(=O)C3CC3)C2)CC1 ZINC000096219610 442090947 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Cc1cc(C[N@@H+]2CCOC[C@@]3(CC[C@H](Cn4cncn4)O3)C2)oc1C ZINC000096160573 442050591 /nfs/dbraw/zinc/05/05/91/442050591.db2.gz KMMAJRXHWLNABL-SJLPKXTDSA-N 1 0 346.431 1.938 40 0 EDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000096196813 442069485 /nfs/dbraw/zinc/06/94/85/442069485.db2.gz ALFJDMODESECHB-UHFFFAOYSA-N 1 0 330.407 1.711 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000096198538 442072172 /nfs/dbraw/zinc/07/21/72/442072172.db2.gz CUAHIMKQAJDPGB-CABCVRRESA-N 1 0 347.463 1.175 40 0 EDABRO O=C(C[C@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@@H]12)NCc1cccnc1 ZINC000096208686 442083591 /nfs/dbraw/zinc/08/35/91/442083591.db2.gz VCANFGFCAQOULE-KZNAEPCWSA-N 1 0 329.444 1.835 40 0 EDABRO Cn1cc(C(=O)N2CCC3(CC[C@H](COCC4CC4)[N@@H+]3C)CC2)cn1 ZINC000096209270 442084155 /nfs/dbraw/zinc/08/41/55/442084155.db2.gz CMKRJJVQQQRDBG-QGZVFWFLSA-N 1 0 346.475 1.916 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2)c1ccnnc1 ZINC000096215000 442086378 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/nfs/dbraw/zinc/14/47/26/443144726.db2.gz VDVAFXWJNIFTID-UHFFFAOYSA-N 1 0 340.387 1.555 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@H]3OC[C@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000306130294 444285421 /nfs/dbraw/zinc/28/54/21/444285421.db2.gz JBPGEMIVJPEYFC-CGTJXYLNSA-N 1 0 330.428 1.764 40 0 EDABRO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12)c1ccncc1 ZINC000306129914 444285839 /nfs/dbraw/zinc/28/58/39/444285839.db2.gz IQOSFDCRJNXTOJ-RCCFBDPRSA-N 1 0 338.411 1.353 40 0 EDABRO CC[NH+](CC)C[C@@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1 ZINC000306134796 444286749 /nfs/dbraw/zinc/28/67/49/444286749.db2.gz NYJGMEQUVXFXHQ-AWEZNQCLSA-N 1 0 330.436 1.452 40 0 EDABRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585103948 448686601 /nfs/dbraw/zinc/68/66/01/448686601.db2.gz HMCQLDQADOQVTN-GOSISDBHSA-N 1 0 335.448 1.998 40 0 EDABRO COc1ccc2cc(C[N@@H+]3CCN(C)C[C@H](C(N)=O)C3)ccc2c1 ZINC000585182342 448715620 /nfs/dbraw/zinc/71/56/20/448715620.db2.gz WCLNYQCDAOUYPQ-KRWDZBQOSA-N 1 0 327.428 1.697 40 0 EDABRO Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2C[NH+]2CCCCC2)no1 ZINC000585094596 448678145 /nfs/dbraw/zinc/67/81/45/448678145.db2.gz DICRVLWIEWRVDX-CQSZACIVSA-N 1 0 343.431 1.770 40 0 EDABRO CC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2ccccc2)C1 ZINC000585281761 448730408 /nfs/dbraw/zinc/73/04/08/448730408.db2.gz QWTDSVGHHQDUTQ-IBGZPJMESA-N 1 0 332.444 1.903 40 0 EDABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@@](C)(C(N)=O)C3)CC2)cc1 ZINC000585282541 448731589 /nfs/dbraw/zinc/73/15/89/448731589.db2.gz GFHCDIMYOLAZFM-LJQANCHMSA-N 1 0 345.487 1.914 40 0 EDABRO CCOCC(=O)N1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1 ZINC000257249752 535412535 /nfs/dbraw/zinc/41/25/35/535412535.db2.gz JJQDAHQOKNIHEL-ICSRJNTNSA-N 1 0 346.471 1.693 40 0 EDABRO C[NH+](C)CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000054360895 214233101 /nfs/dbraw/zinc/23/31/01/214233101.db2.gz WMJXXAOHKGITOB-KAMYIIQDSA-N 1 0 347.440 1.791 40 0 EDABRO C[NH2+]CC(=O)N1CC[C@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072383027 216183611 /nfs/dbraw/zinc/18/36/11/216183611.db2.gz SSIVPYAVSRQDJP-ZDUSSCGKSA-N 1 0 326.404 1.459 40 0 EDABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 ZINC000072387183 216186423 /nfs/dbraw/zinc/18/64/23/216186423.db2.gz ZOMJYAHHEFQWJG-OAHLLOKOSA-N 1 0 345.491 1.841 40 0 EDABRO CCCCCOC[C@H](O)CNCC[NH2+]C[C@@H](O)COCCCCC ZINC000022584284 212307692 /nfs/dbraw/zinc/30/76/92/212307692.db2.gz PSPSDCDWUSVNRF-QZTJIDSGSA-N 1 0 348.528 1.301 40 0 EDABRO Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218399618 241319934 /nfs/dbraw/zinc/31/99/34/241319934.db2.gz GURMLFBGOVMKKE-BZSNNMDCSA-N 1 0 331.437 1.872 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)[nH+]1 ZINC000257200532 244118688 /nfs/dbraw/zinc/11/86/88/244118688.db2.gz ADSCMBWHAUYEGJ-INIZCTEOSA-N 1 0 329.404 1.963 40 0 EDABRO CC(=O)N1CC[N@H+](CCc2ccc(F)cc2)C[C@H](C(=O)N(C)C)C1 ZINC000257227210 244204787 /nfs/dbraw/zinc/20/47/87/244204787.db2.gz FODDAUDCKNFJGI-INIZCTEOSA-N 1 0 335.423 1.237 40 0 EDABRO O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257236075 244230507 /nfs/dbraw/zinc/23/05/07/244230507.db2.gz HARLFVFDZYELJX-OAHLLOKOSA-N 1 0 346.399 1.186 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)[nH+]1 ZINC000257240345 244240616 /nfs/dbraw/zinc/24/06/16/244240616.db2.gz HTBXHDMMCVNJOG-CQSZACIVSA-N 1 0 340.427 1.784 40 0 EDABRO O=C(Cc1ccc2c(c1)CCC2)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257248991 244263390 /nfs/dbraw/zinc/26/33/90/244263390.db2.gz JGFDBVYRNYSJID-FQEVSTJZSA-N 1 0 328.456 1.777 40 0 EDABRO CN(C)C(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)CC[N@H+](C)C1 ZINC000257276204 244394266 /nfs/dbraw/zinc/39/42/66/244394266.db2.gz NSUBBQJWRWGTBO-INIZCTEOSA-N 1 0 326.444 1.687 40 0 EDABRO Cc1cc(C)n(CCCC(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)n1 ZINC000257293342 244439746 /nfs/dbraw/zinc/43/97/46/244439746.db2.gz QPCIFVGFXINNPY-GOSISDBHSA-N 1 0 334.464 1.339 40 0 EDABRO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000019748915 212062243 /nfs/dbraw/zinc/06/22/43/212062243.db2.gz DSWQSYPBQANRDS-QGZVFWFLSA-N 1 0 331.464 1.958 40 0 EDABRO C[NH+]1CCC(C(=O)N2CCC(c3ccc4c(N)n[nH]c4n3)CC2)CC1 ZINC000019703364 212055394 /nfs/dbraw/zinc/05/53/94/212055394.db2.gz KGUBBWLOAIAJQM-UHFFFAOYSA-N 1 0 342.447 1.588 40 0 EDABRO COc1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc(OC)c1OC ZINC000019575858 212046223 /nfs/dbraw/zinc/04/62/23/212046223.db2.gz DZDZQFGBRSXCJD-NWANDNLSSA-N 1 0 336.432 1.352 40 0 EDABRO O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)CC[NH2+]CC1 ZINC000012186820 211313058 /nfs/dbraw/zinc/31/30/58/211313058.db2.gz MLDOCYJQHVGUKY-UHFFFAOYSA-N 1 0 325.821 1.740 40 0 EDABRO C[C@@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1CC(O)(Cn1ccc3ccncc31)C2 ZINC000012088949 211289951 /nfs/dbraw/zinc/28/99/51/211289951.db2.gz JJGKMUOINUOBSS-ZMSWOTSGSA-N 1 0 328.416 1.268 40 0 EDABRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(C(=O)c2cc(C)on2)C1 ZINC000096188288 218656475 /nfs/dbraw/zinc/65/64/75/218656475.db2.gz DECJTLSFXFEOIG-CQSZACIVSA-N 1 0 331.420 1.794 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)N2CCCCO2)C1 ZINC000096207451 218682177 /nfs/dbraw/zinc/68/21/77/218682177.db2.gz BVGWYINMBFDSMO-QAPCUYQASA-N 1 0 349.431 1.684 40 0 EDABRO Cn1cccc1C(=O)N1C[C@H](OCC2CC[NH+](C)CC2)[C@H]2COC[C@H]21 ZINC000096185055 279368564 /nfs/dbraw/zinc/36/85/64/279368564.db2.gz QYEYJEMCHHZVRC-JQHSSLGASA-N 1 0 347.459 1.223 40 0 EDABRO Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223276194 289153058 /nfs/dbraw/zinc/15/30/58/289153058.db2.gz LJHXVVIVDGVPLK-JKSUJKDBSA-N 1 0 329.473 1.954 40 0 EDABRO Cc1nc(CCC(=O)NCc2cccnc2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072366959 293255711 /nfs/dbraw/zinc/25/57/11/293255711.db2.gz HMWPHYNILFEJBI-MRXNPFEDSA-N 1 0 325.416 1.854 40 0 EDABRO Cc1ccc(N([C@@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1C ZINC000013674397 441163746 /nfs/dbraw/zinc/16/37/46/441163746.db2.gz JWWFSPCRTRRXKH-AWEZNQCLSA-N 1 0 341.477 1.136 40 0 EDABRO COCCn1nnnc1[C@@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019446011 441257966 /nfs/dbraw/zinc/25/79/66/441257966.db2.gz AGSOBQVZGWFWEQ-MRXNPFEDSA-N 1 0 336.484 1.577 40 0 EDABRO Cn1cncc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108526789 441459609 /nfs/dbraw/zinc/45/96/09/441459609.db2.gz WYPBAFFDKNSARH-HNNXBMFYSA-N 1 0 342.447 1.836 40 0 EDABRO COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000139575947 441819960 /nfs/dbraw/zinc/81/99/60/441819960.db2.gz CPBHSHYQQLFAPW-ROUUACIJSA-N 1 0 339.407 1.523 40 0 in-vitro EDABRO COc1ccc(F)cc1C[C@](O)(C1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000139576094 441820019 /nfs/dbraw/zinc/82/00/19/441820019.db2.gz CPBHSHYQQLFAPW-MSOLQXFVSA-N 1 0 339.407 1.523 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000096048617 441997136 /nfs/dbraw/zinc/99/71/36/441997136.db2.gz MZYQXZZHSHZZBV-LJQANCHMSA-N 1 0 339.443 1.830 40 0 EDABRO O=C(NCc1ccccn1)[C@@H]1C[N@H+](Cc2ccco2)C[C@H]2OCC[C@H]21 ZINC000096038904 441985569 /nfs/dbraw/zinc/98/55/69/441985569.db2.gz BZLVDGVKCAQZQQ-RCCFBDPRSA-N 1 0 341.411 1.828 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC000096040131 441987391 /nfs/dbraw/zinc/98/73/91/441987391.db2.gz IVUZTXOXRJTESO-PKOBYXMFSA-N 1 0 347.459 1.558 40 0 EDABRO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)o1 ZINC000096056666 442003221 /nfs/dbraw/zinc/00/32/21/442003221.db2.gz DBHQMWVDYDNHMC-KYJSFNMBSA-N 1 0 343.427 1.946 40 0 EDABRO Cc1ccc(C[NH2+]C[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)s1 ZINC000096059728 442007701 /nfs/dbraw/zinc/00/77/01/442007701.db2.gz JYMNFFOARIFADS-OAHLLOKOSA-N 1 0 348.472 1.745 40 0 EDABRO CCn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1ccccn1)C2 ZINC000096060869 442008121 /nfs/dbraw/zinc/00/81/21/442008121.db2.gz FPSWXKCTRKDYCM-HNNXBMFYSA-N 1 0 344.463 1.371 40 0 EDABRO O=c1cc(C[NH+]2CCCC2)nc2n1CCCN(Cc1cccnc1)C2 ZINC000096059580 442008459 /nfs/dbraw/zinc/00/84/59/442008459.db2.gz PIESHTXWBUYTAW-UHFFFAOYSA-N 1 0 339.443 1.640 40 0 EDABRO C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2cccs2)C3)CC1 ZINC000096061804 442009861 /nfs/dbraw/zinc/00/98/61/442009861.db2.gz VNCXNZCPIBVWHG-UHFFFAOYSA-N 1 0 345.472 1.348 40 0 EDABRO COCC[NH+]1CCC2(CC1)CN(Cc1cccc(C)n1)C(=O)CO2 ZINC000096070228 442017026 /nfs/dbraw/zinc/01/70/26/442017026.db2.gz RINLRVSUPWHWCH-UHFFFAOYSA-N 1 0 333.432 1.230 40 0 EDABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076370 442021670 /nfs/dbraw/zinc/02/16/70/442021670.db2.gz FFMIJGCAFIQBMP-IBGZPJMESA-N 1 0 346.475 1.198 40 0 EDABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccccn1)C2 ZINC000096075687 442022106 /nfs/dbraw/zinc/02/21/06/442022106.db2.gz MERZQYLIHYHXRG-QFBILLFUSA-N 1 0 347.459 1.671 40 0 EDABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1 ZINC000096080842 442023313 /nfs/dbraw/zinc/02/33/13/442023313.db2.gz YWYLUHSPXKLPHH-IAGOWNOFSA-N 1 0 343.452 1.834 40 0 EDABRO Cc1cnc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)cn1 ZINC000096184448 442057685 /nfs/dbraw/zinc/05/76/85/442057685.db2.gz AVGKTZCVNGVCBT-DLBZAZTESA-N 1 0 330.432 1.500 40 0 EDABRO Cn1cc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cn1 ZINC000096202036 442077398 /nfs/dbraw/zinc/07/73/98/442077398.db2.gz MBTWTMYQSJMESG-SFHVURJKSA-N 1 0 334.464 1.123 40 0 EDABRO CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000096208308 442083947 /nfs/dbraw/zinc/08/39/47/442083947.db2.gz FXWQYNFQSDMZSJ-IAGOWNOFSA-N 1 0 338.473 1.749 40 0 EDABRO CN(C)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216449 442087568 /nfs/dbraw/zinc/08/75/68/442087568.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 1 0 345.487 1.942 40 0 EDABRO COCC(=O)N[C@H]1COCCC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096216996 442088584 /nfs/dbraw/zinc/08/85/84/442088584.db2.gz PMDLRIBYVDMEAB-KRWDZBQOSA-N 1 0 347.459 1.524 40 0 EDABRO COC[C@@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)[N@@H+]1C ZINC000096218864 442089291 /nfs/dbraw/zinc/08/92/91/442089291.db2.gz NCHVWAFGGOVFMV-AWEZNQCLSA-N 1 0 339.461 1.346 40 0 EDABRO c1coc(CN2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)c1 ZINC000096258992 442107465 /nfs/dbraw/zinc/10/74/65/442107465.db2.gz MWMCJGZNTZSXMP-UHFFFAOYSA-N 1 0 345.447 1.889 40 0 EDABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(C)=O)CC3)C1=O ZINC000096262642 442108015 /nfs/dbraw/zinc/10/80/15/442108015.db2.gz QNIIABUZZVUWPA-IBGZPJMESA-N 1 0 335.492 1.825 40 0 EDABRO CC(=O)NC1CCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1 ZINC000257313339 443143806 /nfs/dbraw/zinc/14/38/06/443143806.db2.gz URYOPKOIFCYQRC-UHFFFAOYSA-N 1 0 341.415 1.072 40 0 EDABRO Cc1c(C[N@@H+]2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)cnn1C ZINC000257319127 443145491 /nfs/dbraw/zinc/14/54/91/443145491.db2.gz VQWYQVYQBVGQDF-HYVNUMGLSA-N 1 0 326.448 1.865 40 0 EDABRO CCCN1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](C)C3)nc(C)n2)CC1 ZINC000257284984 443130385 /nfs/dbraw/zinc/13/03/85/443130385.db2.gz PFDRLDWHTOEUAC-MRXNPFEDSA-N 1 0 345.491 1.762 40 0 EDABRO Cc1ccc2nc(C(=O)N3CC[C@@](O)(C[NH+]4CCCC4)C3)cn2c1 ZINC000257326138 443148833 /nfs/dbraw/zinc/14/88/33/443148833.db2.gz WVZKHTFGPVDEHV-GOSISDBHSA-N 1 0 328.416 1.316 40 0 EDABRO O=C1CO[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2N1C1CCOCC1 ZINC000257343598 443156050 /nfs/dbraw/zinc/15/60/50/443156050.db2.gz ZTQGZRBVBIMNRV-ROUUACIJSA-N 1 0 330.428 1.320 40 0 EDABRO CCn1nccc1/C=C/C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000245289672 443219870 /nfs/dbraw/zinc/21/98/70/443219870.db2.gz DJFCRFFWDDSKIX-YUFRHFIVSA-N 1 0 346.475 1.922 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000242688344 443211977 /nfs/dbraw/zinc/21/19/77/443211977.db2.gz VNHCISAJECAVFL-OUCADQQQSA-N 1 0 331.821 1.359 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306135890 444286774 /nfs/dbraw/zinc/28/67/74/444286774.db2.gz PDWBXKYTNXYWDK-UONOGXRCSA-N 1 0 343.406 1.471 40 0 EDABRO O=C(NCC[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21)c1cnccn1 ZINC000306140057 444287246 /nfs/dbraw/zinc/28/72/46/444287246.db2.gz UIJZAOWNMCLHIS-HNNXBMFYSA-N 1 0 340.431 1.650 40 0 EDABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)NC2CCC2)[C@H]1O ZINC000514288991 448160551 /nfs/dbraw/zinc/16/05/51/448160551.db2.gz MQHLZNUMQUWXNO-OKZBNKHCSA-N 1 0 347.459 1.141 40 0 biogenic,in-vitro EDABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC000585109611 448690165 /nfs/dbraw/zinc/69/01/65/448690165.db2.gz DEZNHUAXVXHRFX-JENIJYKNSA-N 1 0 348.443 1.182 40 0 EDABRO O=S(=O)(c1ccccc1)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093928 448677548 /nfs/dbraw/zinc/67/75/48/448677548.db2.gz PZECJDIUWVHVNX-HNNXBMFYSA-N 1 0 336.457 1.154 40 0 EDABRO CC(C)N(CCO)C(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585281159 448730207 /nfs/dbraw/zinc/73/02/07/448730207.db2.gz UHUMPRZUGFNYSO-KURKYZTESA-N 1 0 334.460 1.487 40 0 EDABRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000585286962 448732469 /nfs/dbraw/zinc/73/24/69/448732469.db2.gz PGLPCJFRHZZONC-DDUZABMNSA-N 1 0 345.399 1.730 40 0 EDABRO CCC[NH2+]C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585289814 448734664 /nfs/dbraw/zinc/73/46/64/448734664.db2.gz KGRRDZVIQZTYTL-HOCLYGCPSA-N 1 0 326.824 1.278 40 0 EDABRO CC(C)C(=O)N1C[C@@H]2COCCN2C2(C[NH+](CCC(C)(C)C)C2)C1 ZINC000604381745 449219811 /nfs/dbraw/zinc/21/98/11/449219811.db2.gz MNCJDUDQKDFQEZ-MRXNPFEDSA-N 1 0 337.508 1.676 40 0 biogenic,in-vitro EDABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1 ZINC000257275260 536021168 /nfs/dbraw/zinc/02/11/68/536021168.db2.gz NOPBAHJMYDLFNC-HNNXBMFYSA-N 1 0 327.388 1.204 40 0 EDABRO COc1ccc(OC)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000003605729 210064179 /nfs/dbraw/zinc/06/41/79/210064179.db2.gz XXBBSFSRCPWNHX-UHFFFAOYSA-N 1 0 335.389 1.389 40 0 EDABRO CC(=O)NC1(c2ccccc2F)CC[NH+](CCN2CCOCC2)CC1 ZINC000023089509 212347253 /nfs/dbraw/zinc/34/72/53/212347253.db2.gz WKVFYSDQVCNYHP-UHFFFAOYSA-N 1 0 349.450 1.585 40 0 EDABRO [NH3+][C@@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218488992 241325964 /nfs/dbraw/zinc/32/59/64/241325964.db2.gz KWSKWCXUZRABRJ-JYJNAYRXSA-N 1 0 337.828 1.970 40 0 EDABRO NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257199696 244113680 /nfs/dbraw/zinc/11/36/80/244113680.db2.gz AANFLRFQJRRJEJ-WCVJEAGWSA-N 1 0 337.395 1.229 40 0 EDABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)c1ccnnc1 ZINC000257221122 244186443 /nfs/dbraw/zinc/18/64/43/244186443.db2.gz DNOWNARORMUHAV-RWQQGDIJSA-N 1 0 346.475 1.953 40 0 EDABRO Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)C[NH3+])C2)ncn1 ZINC000257229659 244210568 /nfs/dbraw/zinc/21/05/68/244210568.db2.gz FZABATHYZXLANE-CYBMUJFWSA-N 1 0 329.404 1.488 40 0 EDABRO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)no1 ZINC000257230199 244211272 /nfs/dbraw/zinc/21/12/72/244211272.db2.gz GBGVVEBANNHNAQ-CQSZACIVSA-N 1 0 329.347 1.291 40 0 EDABRO COC1CC[NH+](Cc2cnc(CC3CCN(C(C)=O)CC3)cn2)CC1 ZINC000257253243 244273750 /nfs/dbraw/zinc/27/37/50/244273750.db2.gz JYCLTJBSQUXFPB-UHFFFAOYSA-N 1 0 346.475 1.888 40 0 EDABRO COc1cc(CCC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)on1 ZINC000257338377 244568811 /nfs/dbraw/zinc/56/88/11/244568811.db2.gz YXCFLPFHRNRGAB-CKEIUWERSA-N 1 0 337.420 1.062 40 0 EDABRO CCN(C(=O)CCn1c2ccccc2oc1=O)C1CC[NH+](C)CC1 ZINC000019657493 212054444 /nfs/dbraw/zinc/05/44/44/212054444.db2.gz PXUYBBDUDBKLMA-UHFFFAOYSA-N 1 0 331.416 1.927 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393092 217219375 /nfs/dbraw/zinc/21/93/75/217219375.db2.gz OERQWKFTWWGTTF-HOCLYGCPSA-N 1 0 333.432 1.841 40 0 EDABRO CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079412858 217221393 /nfs/dbraw/zinc/22/13/93/217221393.db2.gz KSFWCZYOIPKJBX-HOCLYGCPSA-N 1 0 333.432 1.983 40 0 EDABRO [NH3+]CC(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079412556 217221661 /nfs/dbraw/zinc/22/16/61/217221661.db2.gz CGLDJYCTFUDCHQ-OAHLLOKOSA-N 1 0 331.416 1.595 40 0 EDABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412796 217222078 /nfs/dbraw/zinc/22/20/78/217222078.db2.gz OMNWNOIDDVJALA-HOCLYGCPSA-N 1 0 333.432 1.841 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cn1 ZINC000096071245 218569593 /nfs/dbraw/zinc/56/95/93/218569593.db2.gz SKQMZOVKZBPPCV-LJQANCHMSA-N 1 0 339.443 1.972 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096185804 286309579 /nfs/dbraw/zinc/30/95/79/286309579.db2.gz AIBJYLJMCYNCNY-GBESFXJTSA-N 1 0 332.444 1.759 40 0 EDABRO CC(C)n1c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2sc1=O ZINC000225709954 276082251 /nfs/dbraw/zinc/08/22/51/276082251.db2.gz AVEHWPKYFZOBNU-UHFFFAOYSA-N 1 0 343.474 1.484 40 0 EDABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096207619 293189857 /nfs/dbraw/zinc/18/98/57/293189857.db2.gz BIHQQYNDTYTDCV-CQSZACIVSA-N 1 0 333.498 1.004 40 0 EDABRO CC(C)NC(=O)NCCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000000004779 440794607 /nfs/dbraw/zinc/79/46/07/440794607.db2.gz PKWZWSXSCKVUJB-MRXNPFEDSA-N 1 0 337.464 1.674 40 0 in-man EDABRO Cc1cc(C)nc(N2CCC[C@@H](c3nnc4n3CC[N@@H+](C)C4)C2)n1 ZINC000072352916 441230461 /nfs/dbraw/zinc/23/04/61/441230461.db2.gz JQYFHMMRRHDDCY-CQSZACIVSA-N 1 0 327.436 1.514 40 0 EDABRO Nc1ncc(Br)nc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000022113816 441276853 /nfs/dbraw/zinc/27/68/53/441276853.db2.gz IQNZGGJWXBMSKX-LLVKDONJSA-N 1 0 334.221 1.972 40 0 EDABRO Cn1nnc2c1[C@@H](COCc1ccncc1)C[N@H+](C[C@H]1CCOC1)C2 ZINC000107723561 441427965 /nfs/dbraw/zinc/42/79/65/441427965.db2.gz VZWVRSRBTLVYAF-HZPDHXFCSA-N 1 0 343.431 1.363 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 ZINC000107228228 441404439 /nfs/dbraw/zinc/40/44/39/441404439.db2.gz JBCTUKLDMJBKBV-WBVHZDCISA-N 1 0 329.404 1.413 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O)c1cccs1 ZINC000077264265 441743963 /nfs/dbraw/zinc/74/39/63/441743963.db2.gz CRIHULZUOARCGP-BZPMIXESSA-N 1 0 338.454 1.458 40 0 biogenic,in-vitro EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O)c1cccs1 ZINC000077264208 441744604 /nfs/dbraw/zinc/74/46/04/441744604.db2.gz DOIRSSYMZFBGNI-FMKPAKJESA-N 1 0 332.425 1.396 40 0 biogenic,in-vitro EDABRO CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000095626781 441952995 /nfs/dbraw/zinc/95/29/95/441952995.db2.gz UNBRKDKAWYKMIV-HBUWYVDXSA-N 1 0 339.439 1.925 40 0 in-vitro EDABRO c1cnc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)cn1 ZINC000096049643 441997713 /nfs/dbraw/zinc/99/77/13/441997713.db2.gz YAXIRKPCZALILJ-LJQANCHMSA-N 1 0 339.443 1.991 40 0 EDABRO O=C(NCc1ccco1)[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096038612 441983615 /nfs/dbraw/zinc/98/36/15/441983615.db2.gz OFDAGXMKRRHHQZ-BPLDGKMQSA-N 1 0 347.440 1.747 40 0 EDABRO C[NH+](C)CCOCc1nnn2c1CN(Cc1nccs1)CCC2 ZINC000096058824 442006635 /nfs/dbraw/zinc/00/66/35/442006635.db2.gz ALXYKWXXSHFGCR-UHFFFAOYSA-N 1 0 336.465 1.219 40 0 EDABRO CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccco1)C2 ZINC000096060850 442008679 /nfs/dbraw/zinc/00/86/79/442008679.db2.gz UYAKZDNGXMQSHO-CQSZACIVSA-N 1 0 333.436 1.569 40 0 EDABRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096064343 442013301 /nfs/dbraw/zinc/01/33/01/442013301.db2.gz UAKUXTHXUUKVSH-BHYGNILZSA-N 1 0 335.423 1.934 40 0 EDABRO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccccc1F)OCC2 ZINC000096068168 442015212 /nfs/dbraw/zinc/01/52/12/442015212.db2.gz HASYLAKYOMVWAN-INIZCTEOSA-N 1 0 346.406 1.514 40 0 EDABRO O=C(NCc1cncc2c1CC[N@H+](C[C@@H]1CCOC1)C2)c1ccno1 ZINC000096067436 442015312 /nfs/dbraw/zinc/01/53/12/442015312.db2.gz XBFGJAADNAJSFG-ZDUSSCGKSA-N 1 0 342.399 1.394 40 0 EDABRO Cn1cc(N2CC3(CC[NH+](Cc4ccccn4)CC3)OCC2=O)cn1 ZINC000096070221 442017697 /nfs/dbraw/zinc/01/76/97/442017697.db2.gz RPRHRJXOYUOMOZ-UHFFFAOYSA-N 1 0 341.415 1.213 40 0 EDABRO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](CCOCc3ccccc3)C[C@H]2O1 ZINC000096066076 442014471 /nfs/dbraw/zinc/01/44/71/442014471.db2.gz VCLUNHBAVBSTDJ-RCCFBDPRSA-N 1 0 332.444 1.771 40 0 EDABRO CNC(=O)CN1CCOCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096074658 442019804 /nfs/dbraw/zinc/01/98/04/442019804.db2.gz RRYXQSQHRCKGQZ-UHFFFAOYSA-N 1 0 335.423 1.239 40 0 EDABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cccn4C)C3)C2=O)cn1 ZINC000096074089 442020238 /nfs/dbraw/zinc/02/02/38/442020238.db2.gz HKJJDDBRLBDFFV-GOSISDBHSA-N 1 0 327.432 1.778 40 0 EDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)[C@@H]2C ZINC000096087583 442025859 /nfs/dbraw/zinc/02/58/59/442025859.db2.gz GRKPHSPDWZUHIU-CYBMUJFWSA-N 1 0 328.420 1.730 40 0 EDABRO Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1F ZINC000096108283 442031995 /nfs/dbraw/zinc/03/19/95/442031995.db2.gz CYVVEHFWRPCUKD-QAPCUYQASA-N 1 0 338.398 1.745 40 0 EDABRO COc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2=O)c1 ZINC000096159813 442049463 /nfs/dbraw/zinc/04/94/63/442049463.db2.gz IIKXAPGKNNKPAZ-APWZRJJASA-N 1 0 330.428 1.909 40 0 EDABRO O=C(c1ccccn1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188376 442065328 /nfs/dbraw/zinc/06/53/28/442065328.db2.gz CLBUZZAIYVMNIM-HNNXBMFYSA-N 1 0 325.416 1.646 40 0 EDABRO O=C(c1ccnnc1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096188372 442066077 /nfs/dbraw/zinc/06/60/77/442066077.db2.gz ZGPYAODLRYKHRF-AWEZNQCLSA-N 1 0 326.404 1.041 40 0 EDABRO Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](COCC[NH+](C)C)C1 ZINC000096188978 442066453 /nfs/dbraw/zinc/06/64/53/442066453.db2.gz NNSIYAKRCFHUIW-OAHLLOKOSA-N 1 0 345.447 1.072 40 0 EDABRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)c3nc(C)ccc3C2)no1 ZINC000096199016 442072926 /nfs/dbraw/zinc/07/29/26/442072926.db2.gz UWJPQDMRFBKAAT-UHFFFAOYSA-N 1 0 343.431 1.710 40 0 EDABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1ccccc1)C2 ZINC000096201997 442078004 /nfs/dbraw/zinc/07/80/04/442078004.db2.gz VCHGHNRUGASXKE-LJQANCHMSA-N 1 0 332.444 1.426 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096208859 442084095 /nfs/dbraw/zinc/08/40/95/442084095.db2.gz JTUYIHBFSSKHOQ-WMZOPIPTSA-N 1 0 333.432 1.310 40 0 EDABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2O1)N1CCCCO1 ZINC000096216982 442088540 /nfs/dbraw/zinc/08/85/40/442088540.db2.gz QVKQPYAEBSVDSI-YESZJQIVSA-N 1 0 331.416 1.615 40 0 EDABRO COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccnc3)CC2)[N@@H+]1C ZINC000096218866 442089039 /nfs/dbraw/zinc/08/90/39/442089039.db2.gz NCHVWAFGGOVFMV-CQSZACIVSA-N 1 0 339.461 1.346 40 0 EDABRO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2=O)cs1 ZINC000096245110 442101026 /nfs/dbraw/zinc/10/10/26/442101026.db2.gz SNHWRIVWVLDBBE-ZFWWWQNUSA-N 1 0 331.445 1.275 40 0 EDABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(c1nnc(C)s1)CC2 ZINC000247994912 442876445 /nfs/dbraw/zinc/87/64/45/442876445.db2.gz CNZMCJRDKGSZGE-CQSZACIVSA-N 1 0 340.493 1.658 40 0 EDABRO Cn1cc(C(=O)N2CC3(C2)C[C@@H](COCC2CC2)CC[N@@H+]3C)cn1 ZINC000248130507 442882802 /nfs/dbraw/zinc/88/28/02/442882802.db2.gz NAZFPXYZOJQOFP-HNNXBMFYSA-N 1 0 332.448 1.383 40 0 EDABRO Cc1ncccc1O[C@H]1CCN(C(=O)C[NH+]2CCCC2)CC[C@@H]1O ZINC000257296237 443135649 /nfs/dbraw/zinc/13/56/49/443135649.db2.gz RBVZSXHTBCEFCX-RDJZCZTQSA-N 1 0 333.432 1.217 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O ZINC000257300445 443137664 /nfs/dbraw/zinc/13/76/64/443137664.db2.gz RUHJRURFSBQLBL-QZTJIDSGSA-N 1 0 343.402 1.467 40 0 EDABRO Cc1cnccc1C(=O)N1CCc2c(nc([C@@H]3CCC[NH2+]3)[nH]c2=O)C1 ZINC000257314601 443143088 /nfs/dbraw/zinc/14/30/88/443143088.db2.gz UXRDCFMYEOVXLM-AWEZNQCLSA-N 1 0 339.399 1.509 40 0 EDABRO O=C(c1ccncc1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257228550 443125609 /nfs/dbraw/zinc/12/56/09/443125609.db2.gz FUGMFEDEKBVYLK-HNNXBMFYSA-N 1 0 325.359 1.390 40 0 EDABRO Cc1cc(CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)ncn1 ZINC000257329712 443150156 /nfs/dbraw/zinc/15/01/56/443150156.db2.gz XLEDIGWDVQVXDP-SFHVURJKSA-N 1 0 346.475 1.677 40 0 EDABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257336363 443153480 /nfs/dbraw/zinc/15/34/80/443153480.db2.gz YOBQCKAJCAURIE-MRXNPFEDSA-N 1 0 337.489 1.903 40 0 EDABRO CN(C)C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]12 ZINC000306128476 444285486 /nfs/dbraw/zinc/28/54/86/444285486.db2.gz HBEMCUFZDVOEQL-KZNAEPCWSA-N 1 0 347.459 1.421 40 0 EDABRO CC[C@H](C)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000585106071 448687423 /nfs/dbraw/zinc/68/74/23/448687423.db2.gz IXPURHDGDRMORQ-JYJNAYRXSA-N 1 0 343.475 1.540 40 0 EDABRO CNc1ncc(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cn1 ZINC000585276354 448721957 /nfs/dbraw/zinc/72/19/57/448721957.db2.gz ITXJUJBQIMWXLS-IRXDYDNUSA-N 1 0 330.407 2.225 40 0 EDABRO O[C@H]1CC[N@@H+](C2CCOCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284370 448731553 /nfs/dbraw/zinc/73/15/53/448731553.db2.gz XJAWDMUTRRGOIK-IRXDYDNUSA-N 1 0 343.370 1.320 40 0 EDABRO Cc1cc(OC[C@@]2(O)COCC[N@@H+](C3CCOCC3)C2)ccc1F ZINC000585284164 448731937 /nfs/dbraw/zinc/73/19/37/448731937.db2.gz VLDGWAASUSMFPY-SFHVURJKSA-N 1 0 339.407 1.755 40 0 EDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc(Cn3cccn3)cc2)[C@@H]1O ZINC000585291566 448735454 /nfs/dbraw/zinc/73/54/54/448735454.db2.gz QEVJDKXWQXCTFM-KURKYZTESA-N 1 0 331.416 1.138 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000575402373 449089760 /nfs/dbraw/zinc/08/97/60/449089760.db2.gz BQIXFQGVFBXJIJ-MRXNPFEDSA-N 1 0 333.432 1.167 40 0 EDABRO Cc1ccccc1OC[C@]1(O)COCC[N@H+](CC2(O)CCCC2)C1 ZINC000585287353 485898867 /nfs/dbraw/zinc/89/88/67/485898867.db2.gz NEOAIQWAKGDKPO-LJQANCHMSA-N 1 0 335.444 1.742 40 0 EDABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])CO)cc1 ZINC000218098813 241298531 /nfs/dbraw/zinc/29/85/31/241298531.db2.gz ALWJDKVZIBLYRE-BRWVUGGUSA-N 1 0 333.409 1.325 40 0 EDABRO Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257204209 244128344 /nfs/dbraw/zinc/12/83/44/244128344.db2.gz ATNMXHGRPIJLPQ-IBGZPJMESA-N 1 0 342.443 1.244 40 0 EDABRO COc1cc(OC)cc(C(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000257221073 244185054 /nfs/dbraw/zinc/18/50/54/244185054.db2.gz DNJPWNPBXVRCDP-SFHVURJKSA-N 1 0 334.416 1.377 40 0 EDABRO Cc1cnc(C(=O)N2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257246378 244257867 /nfs/dbraw/zinc/25/78/67/244257867.db2.gz ITWOIQKXVPFQGL-OAHLLOKOSA-N 1 0 326.404 1.614 40 0 EDABRO Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)n1 ZINC000257239060 244239595 /nfs/dbraw/zinc/23/95/95/244239595.db2.gz HNTUDOCXQZKSKV-MRXNPFEDSA-N 1 0 342.447 1.681 40 0 EDABRO CC(=O)N1CC2(CC[NH+](Cc3cncn3C)CC2)C[C@H](O)C1(C)C ZINC000257259465 244293708 /nfs/dbraw/zinc/29/37/08/244293708.db2.gz KYNHLDFDPYYBKO-INIZCTEOSA-N 1 0 334.464 1.394 40 0 EDABRO CN(C)c1cnc(C[C@@H]2CCC[N@H+](CC3(O)CCOCC3)CC2)cn1 ZINC000257262500 244350868 /nfs/dbraw/zinc/35/08/68/244350868.db2.gz LLRBCYXXYMIXHN-MRXNPFEDSA-N 1 0 348.491 1.729 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)[C@@H]1CC=CCC1 ZINC000019346728 212019383 /nfs/dbraw/zinc/01/93/83/212019383.db2.gz RABADMAGKBJXIN-HUUCEWRRSA-N 1 0 339.443 1.981 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292007 212012157 /nfs/dbraw/zinc/01/21/57/212012157.db2.gz SQZYSYGLQHNKOE-OAHLLOKOSA-N 1 0 344.459 1.381 40 0 EDABRO CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)C[NH3+] ZINC000079392913 217218992 /nfs/dbraw/zinc/21/89/92/217218992.db2.gz HQQBSBJDMPDQRP-INIZCTEOSA-N 1 0 333.432 1.985 40 0 EDABRO C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000081277144 217378510 /nfs/dbraw/zinc/37/85/10/217378510.db2.gz OBXHLEIMOWIGMH-KRWDZBQOSA-N 1 0 329.444 1.767 40 0 EDABRO COc1cc2c(cc1OC)[C@H]1C[C@]3(CC(=O)NC3=O)CC[N@@H+]1CC2 ZINC000005766732 286261317 /nfs/dbraw/zinc/26/13/17/286261317.db2.gz IEEDLAUTWDHEGT-ACJLOTCBSA-N 1 0 330.384 1.430 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC000096107052 276755581 /nfs/dbraw/zinc/75/55/81/276755581.db2.gz KSJJWPZQURLPDT-ZDUSSCGKSA-N 1 0 337.395 1.311 40 0 EDABRO CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019460465 278409464 /nfs/dbraw/zinc/40/94/64/278409464.db2.gz DMAPTFUBGTZCKK-JSGCOSHPSA-N 1 0 344.415 1.128 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039561 289170695 /nfs/dbraw/zinc/17/06/95/289170695.db2.gz IUALFUOKFZVZTC-IEBWSBKVSA-N 1 0 347.459 1.671 40 0 EDABRO CN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019589769 290262280 /nfs/dbraw/zinc/26/22/80/290262280.db2.gz VHVDUIRHMCBMNM-FXAWDEMLSA-N 1 0 341.455 1.138 40 0 EDABRO Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)C[NH3+])n1 ZINC000257213933 303365339 /nfs/dbraw/zinc/36/53/39/303365339.db2.gz CJTKAKBRSUGCGD-CQSZACIVSA-N 1 0 329.379 1.877 40 0 EDABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)C1 ZINC000044885776 440898832 /nfs/dbraw/zinc/89/88/32/440898832.db2.gz WBJXAGCCNOUWQP-MRXNPFEDSA-N 1 0 329.444 1.833 40 0 EDABRO CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(=O)OC)on1 ZINC000015673450 441207618 /nfs/dbraw/zinc/20/76/18/441207618.db2.gz ZIMFDCOOZYMLMI-STQMWFEESA-N 1 0 337.420 1.488 40 0 biogenic,in-vitro EDABRO Cc1nccn1CC1(O)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000019287933 441255198 /nfs/dbraw/zinc/25/51/98/441255198.db2.gz CIKFPAWFCMJKNL-QGZVFWFLSA-N 1 0 333.407 1.891 40 0 EDABRO O=C(CC1CCCC1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019404466 441257646 /nfs/dbraw/zinc/25/76/46/441257646.db2.gz QZQNEFZGXXQNGP-AWEZNQCLSA-N 1 0 342.447 1.600 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@H]2[C@H](C[C@@H](C[NH+]3CCCC3)N2C)C1 ZINC000107203112 441403530 /nfs/dbraw/zinc/40/35/30/441403530.db2.gz TZORPOXITIYTMC-IKGGRYGDSA-N 1 0 330.476 1.656 40 0 EDABRO C[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000113948222 441629203 /nfs/dbraw/zinc/62/92/03/441629203.db2.gz CXHKHSPMTNAPOG-UHFFFAOYSA-N 1 0 345.852 1.536 40 0 EDABRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096048609 441996516 /nfs/dbraw/zinc/99/65/16/441996516.db2.gz UWONXTIFJWAIJZ-PKOBYXMFSA-N 1 0 346.475 1.963 40 0 EDABRO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](CC1CCOCC1)C2 ZINC000096050233 441999809 /nfs/dbraw/zinc/99/98/09/441999809.db2.gz RGHOWEKPQNPTSU-FQEVSTJZSA-N 1 0 343.471 1.836 40 0 EDABRO O=C([C@@H]1C[N@H+](Cc2ccccn2)CC12CCOCC2)N1CCCC1 ZINC000096052188 442001475 /nfs/dbraw/zinc/00/14/75/442001475.db2.gz RXHISDHZDGWQBM-KRWDZBQOSA-N 1 0 329.444 1.933 40 0 EDABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036513 441984139 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444287780 /nfs/dbraw/zinc/28/77/80/444287780.db2.gz VIZPACBTCWMLGO-KDOFPFPSSA-N 1 0 349.431 1.042 40 0 EDABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCCN(C)C2=O ZINC000306142137 444287889 /nfs/dbraw/zinc/28/78/89/444287889.db2.gz WQWGGPURHGCXKH-QFBILLFUSA-N 1 0 339.443 1.653 40 0 EDABRO CN(C(=O)OC(C)(C)C)C1CN([C@H](C(=[NH2+])NO)c2ccncc2)C1 ZINC000409440376 447684430 /nfs/dbraw/zinc/68/44/30/447684430.db2.gz KOSIIRSWEQKNDJ-ZDUSSCGKSA-N 1 0 335.408 1.630 40 0 EDABRO O=C(N[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O)c1ccccc1 ZINC000514288887 448160979 /nfs/dbraw/zinc/16/09/79/448160979.db2.gz JETZUPCATRSDQT-SOUVJXGZSA-N 1 0 340.370 1.276 40 0 biogenic,in-vitro EDABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100086 448685102 /nfs/dbraw/zinc/68/51/02/448685102.db2.gz FKZNNYVWSSBDHV-INIZCTEOSA-N 1 0 330.494 1.678 40 0 EDABRO CC(=O)c1cc(C(=O)N2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)[nH]n1 ZINC000585108252 448689079 /nfs/dbraw/zinc/68/90/79/448689079.db2.gz 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CNC(=O)CCc1cc(C)nc(C2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000072360502 216166927 /nfs/dbraw/zinc/16/69/27/216166927.db2.gz IOYOAVVVKWDNPX-UHFFFAOYSA-N 1 0 346.475 1.336 40 0 EDABRO COCCNc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072366100 216171315 /nfs/dbraw/zinc/17/13/15/216171315.db2.gz YYFDSVMXNXCFBS-AWEZNQCLSA-N 1 0 330.436 1.713 40 0 EDABRO CN(C)c1cncc(C2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)n1 ZINC000072367357 216174293 /nfs/dbraw/zinc/17/42/93/216174293.db2.gz JIUJQZAPXPRMIR-SFHVURJKSA-N 1 0 331.464 1.781 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(Cc3ccnn3C)CC2)CC1 ZINC000072367492 216175092 /nfs/dbraw/zinc/17/50/92/216175092.db2.gz KMDADTNVQLDKQW-UHFFFAOYSA-N 1 0 334.464 1.048 40 0 EDABRO CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1O ZINC000257225071 244198734 /nfs/dbraw/zinc/19/87/34/244198734.db2.gz FERSOSCVASBKMX-IAGOWNOFSA-N 1 0 328.416 1.128 40 0 EDABRO Cc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257231453 244212104 /nfs/dbraw/zinc/21/21/04/244212104.db2.gz GGTLSOHHLDHTRX-IAGOWNOFSA-N 1 0 346.406 1.185 40 0 EDABRO COc1cc(CCC(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)on1 ZINC000257221565 244185073 /nfs/dbraw/zinc/18/50/73/244185073.db2.gz DPPLVZMCSOOGGF-MRXNPFEDSA-N 1 0 345.399 1.798 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)s1 ZINC000257269329 244368705 /nfs/dbraw/zinc/36/87/05/244368705.db2.gz MPMUEZLNMBBLRE-HOTGVXAUSA-N 1 0 336.457 1.647 40 0 EDABRO CC[NH+]1CCN([C@@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000019527896 212038978 /nfs/dbraw/zinc/03/89/78/212038978.db2.gz TUEIZGZBLUQOPI-CVEARBPZSA-N 1 0 336.484 1.577 40 0 EDABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC ZINC000012362741 211355880 /nfs/dbraw/zinc/35/58/80/211355880.db2.gz KGHVUHNHOMEUIX-CYBMUJFWSA-N 1 0 336.436 1.335 40 0 EDABRO O=C(C1CC[NH2+]CC1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012337500 211351243 /nfs/dbraw/zinc/35/12/43/211351243.db2.gz UNTQPGQMZKSDGE-UHFFFAOYSA-N 1 0 330.428 1.956 40 0 EDABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)CCn1cncn1 ZINC000012366135 211357508 /nfs/dbraw/zinc/35/75/08/211357508.db2.gz IWFVVNDFPOAOMJ-HNNXBMFYSA-N 1 0 329.404 1.020 40 0 EDABRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1 ZINC000012195043 211317914 /nfs/dbraw/zinc/31/79/14/211317914.db2.gz UGINEQMJWJSSFX-LLVKDONJSA-N 1 0 344.381 1.991 40 0 EDABRO CC[NH+](CC)C[C@H]1CC[C@@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248123973 284735489 /nfs/dbraw/zinc/73/54/89/284735489.db2.gz LBXHERFXUOYOOQ-VQIMIIECSA-N 1 0 349.475 1.757 40 0 EDABRO CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000019527895 285336016 /nfs/dbraw/zinc/33/60/16/285336016.db2.gz TUEIZGZBLUQOPI-JKSUJKDBSA-N 1 0 336.484 1.577 40 0 EDABRO COc1ccc2ccccc2c1C[N@@H+]1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257243827 274141611 /nfs/dbraw/zinc/14/16/11/274141611.db2.gz IISIBNZDQVHMBP-OAHLLOKOSA-N 1 0 327.428 1.697 40 0 EDABRO Cc1cnc(C[C@@H]2COCCN(C(=O)C[NH+]3CCCCC3)C2)cn1 ZINC000072388272 279013740 /nfs/dbraw/zinc/01/37/40/279013740.db2.gz QIVXNEPAXAGXRF-INIZCTEOSA-N 1 0 332.448 1.288 40 0 EDABRO CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019460467 281399632 /nfs/dbraw/zinc/39/96/32/281399632.db2.gz DMAPTFUBGTZCKK-TZMCWYRMSA-N 1 0 344.415 1.128 40 0 EDABRO CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000072387219 441231468 /nfs/dbraw/zinc/23/14/68/441231468.db2.gz GVTVEAYXNBOVER-KRWDZBQOSA-N 1 0 330.432 1.543 40 0 EDABRO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCOCC3)C2=O)cc1 ZINC000015084296 441196252 /nfs/dbraw/zinc/19/62/52/441196252.db2.gz MFMUCENLPBWLGP-OAHLLOKOSA-N 1 0 346.383 1.264 40 0 EDABRO C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)CC1 ZINC000015674207 441207582 /nfs/dbraw/zinc/20/75/82/441207582.db2.gz DFWFPGRBMFETDM-HIFRSBDPSA-N 1 0 329.404 1.334 40 0 biogenic,in-vitro EDABRO Nc1ncc(Br)nc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000022113819 441276673 /nfs/dbraw/zinc/27/66/73/441276673.db2.gz IQNZGGJWXBMSKX-NSHDSACASA-N 1 0 334.221 1.972 40 0 EDABRO Cc1nc(CN2CC[C@@]3(C2)COCC[N@@H+]([C@H]2CCOC2)C3)cs1 ZINC000107781471 441429960 /nfs/dbraw/zinc/42/99/60/441429960.db2.gz DSQPXAREROMCBL-IRXDYDNUSA-N 1 0 337.489 1.765 40 0 EDABRO CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(C(=O)c1ccnnc1)C2 ZINC000107795347 441431460 /nfs/dbraw/zinc/43/14/60/441431460.db2.gz PXEFGEDBJFGAAP-MAUKXSAKSA-N 1 0 348.447 1.065 40 0 EDABRO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccncc1)C2)N1CCOCC1 ZINC000108526284 441459234 /nfs/dbraw/zinc/45/92/34/441459234.db2.gz HZNYWWJHQOOTIH-IEBWSBKVSA-N 1 0 329.444 1.933 40 0 EDABRO CS(=O)(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108527494 441460901 /nfs/dbraw/zinc/46/09/01/441460901.db2.gz VBOCJDFYVAOLRC-AWEZNQCLSA-N 1 0 339.461 1.144 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)CC1 ZINC000077266517 441744245 /nfs/dbraw/zinc/74/42/45/441744245.db2.gz ZNHHPFHRQGXLKL-GOSISDBHSA-N 1 0 342.443 1.624 40 0 biogenic,in-vitro EDABRO O=C([C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccn2)C1)N1CCCCO1 ZINC000096038940 441985258 /nfs/dbraw/zinc/98/52/58/441985258.db2.gz YHFPYYMCOGKJNV-DJIMGWMZSA-N 1 0 331.416 1.615 40 0 EDABRO O=C(NCC1CC1)[C@H]1CCC2(CC[NH+](CC3CCOCC3)CC2)O1 ZINC000096061209 442009331 /nfs/dbraw/zinc/00/93/31/442009331.db2.gz PXUNOADOIHCHNY-QGZVFWFLSA-N 1 0 336.476 1.953 40 0 EDABRO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]([C@@H]4CCOC4)C3)C2=O)n1 ZINC000096074107 442020474 /nfs/dbraw/zinc/02/04/74/442020474.db2.gz FQVZPLZOAIDEHU-IEBWSBKVSA-N 1 0 329.444 1.993 40 0 EDABRO CCS(=O)(=O)N1C[C@H]2C[NH+](Cc3ccc(OC)c(F)c3)C[C@@H]2C1 ZINC000096080812 442023302 /nfs/dbraw/zinc/02/33/02/442023302.db2.gz QQWVLGORHUWYKR-ZIAGYGMSSA-N 1 0 342.436 1.548 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(CO[C@@H](COc3cccnc3)C2)CC1 ZINC000096106114 442029482 /nfs/dbraw/zinc/02/94/82/442029482.db2.gz CZSLPFDNXZAIDV-MRXNPFEDSA-N 1 0 333.432 1.420 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](CC1CCOCC1)C2)c1ccccc1 ZINC000096108501 442033587 /nfs/dbraw/zinc/03/35/87/442033587.db2.gz AIYKNNIDLDGZAV-QUCCMNQESA-N 1 0 344.455 1.791 40 0 EDABRO COCC(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096220717 442091553 /nfs/dbraw/zinc/09/15/53/442091553.db2.gz RBSQOBNQXMVWLY-OAHLLOKOSA-N 1 0 338.473 1.882 40 0 EDABRO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cncc(C)c3)C[C@@H]2[N@@H+]1C(C)C ZINC000096182679 442055934 /nfs/dbraw/zinc/05/59/34/442055934.db2.gz BKOZNPQMQFMCBG-OAGGEKHMSA-N 1 0 330.432 1.059 40 0 EDABRO C[NH+](C)CCOC[C@H]1Cn2nccc2CN(Cc2ccccn2)C1 ZINC000096188969 442066242 /nfs/dbraw/zinc/06/62/42/442066242.db2.gz SAONKBMGJSGFMV-MRXNPFEDSA-N 1 0 329.448 1.488 40 0 EDABRO Cn1cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)cn1 ZINC000096199492 442073336 /nfs/dbraw/zinc/07/33/36/442073336.db2.gz PCNJBXAWSJZMPK-KRWDZBQOSA-N 1 0 339.443 1.796 40 0 EDABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccncc3)CC[C@@H]12)NCC1CC1 ZINC000096206622 442080759 /nfs/dbraw/zinc/08/07/59/442080759.db2.gz PEHQDNUBLMUSOG-KZNAEPCWSA-N 1 0 329.444 1.835 40 0 EDABRO COC[C@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1ccoc1)CC2 ZINC000096208445 442083407 /nfs/dbraw/zinc/08/34/07/442083407.db2.gz UDZMOPRJULIEFF-OAHLLOKOSA-N 1 0 342.461 1.542 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)N4CCCCO4)[C@H]3C2)n1 ZINC000096216807 442088212 /nfs/dbraw/zinc/08/82/12/442088212.db2.gz LOHWGWGBTJBPNG-IXDOHACOSA-N 1 0 331.416 1.391 40 0 EDABRO O=C(NCc1cccs1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12 ZINC000096216787 442088500 /nfs/dbraw/zinc/08/85/00/442088500.db2.gz WDGVLCVALDNVHJ-IXDOHACOSA-N 1 0 343.452 1.906 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)cn1 ZINC000096245318 442100779 /nfs/dbraw/zinc/10/07/79/442100779.db2.gz OTIVIEXHLBRGBF-RDJZCZTQSA-N 1 0 328.391 1.650 40 0 EDABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000248084460 442880273 /nfs/dbraw/zinc/88/02/73/442880273.db2.gz BCNOVMQAKBJCLV-CQSZACIVSA-N 1 0 342.443 1.756 40 0 EDABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])CO)cc1 ZINC000218445996 443058687 /nfs/dbraw/zinc/05/86/87/443058687.db2.gz FQJMCVYKXYCBSB-KZNAEPCWSA-N 1 0 331.437 1.933 40 0 EDABRO Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257287612 443132621 /nfs/dbraw/zinc/13/26/21/443132621.db2.gz PQSJTPGUPBOJMS-ZHALLVOQSA-N 1 0 348.491 1.843 40 0 EDABRO Cc1nc(C(=O)N2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)co1 ZINC000257301224 443137537 /nfs/dbraw/zinc/13/75/37/443137537.db2.gz RXMXFANSQHEZOQ-UHFFFAOYSA-N 1 0 343.431 1.930 40 0 EDABRO CCn1ncc(S(=O)(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000257300783 443137914 /nfs/dbraw/zinc/13/79/14/443137914.db2.gz RVQXKUFCAJFOJX-UONOGXRCSA-N 1 0 326.466 1.364 40 0 EDABRO CCc1noc(C)c1C(=O)N1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257310021 443141630 /nfs/dbraw/zinc/14/16/30/443141630.db2.gz UDJXMAJHWXZWJT-CQSZACIVSA-N 1 0 344.415 1.996 40 0 EDABRO CNC(=O)[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000257320003 443146227 /nfs/dbraw/zinc/14/62/27/443146227.db2.gz VUYGEVBLNGXRMR-CYBMUJFWSA-N 1 0 329.366 1.815 40 0 EDABRO CC(C)[NH+]1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 ZINC000225468218 443104897 /nfs/dbraw/zinc/10/48/97/443104897.db2.gz RQFJDLMNGNAKLM-UHFFFAOYSA-N 1 0 325.478 1.667 40 0 biogenic,in-vitro EDABRO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000306123905 444284899 /nfs/dbraw/zinc/28/48/99/444284899.db2.gz BADMIHAQJBNFNS-IPMKNSEASA-N 1 0 337.423 1.958 40 0 EDABRO O=C(NC1CCCC1)c1nnc2n1CCN1CC[N@@H+](CC3CC3)C[C@@H]21 ZINC000306135125 444286825 /nfs/dbraw/zinc/28/68/25/444286825.db2.gz OIOLSVDQRKDIKX-HNNXBMFYSA-N 1 0 344.463 1.033 40 0 EDABRO CN1C(=O)CO[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]21 ZINC000585284682 448731544 /nfs/dbraw/zinc/73/15/44/448731544.db2.gz VCIDKPLZIDTLEZ-CGBFIWBNSA-N 1 0 344.455 1.617 40 0 EDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1O ZINC000585287376 448733488 /nfs/dbraw/zinc/73/34/88/448733488.db2.gz ZMQSQTBXTHUDIZ-XYPHTWIQSA-N 1 0 335.379 1.123 40 0 EDABRO Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382219 449220011 /nfs/dbraw/zinc/22/00/11/449220011.db2.gz LHMPQCKHZWTQGB-PSBWJHGTSA-N 1 0 345.418 1.614 40 0 biogenic,in-vitro EDABRO CC(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 ZINC000604382293 449220183 /nfs/dbraw/zinc/22/01/83/449220183.db2.gz NLPQWFKFLGSNPT-QBPKDAKJSA-N 1 0 335.492 1.920 40 0 biogenic,in-vitro EDABRO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1cccs1)C2 ZINC000097952773 219063877 /nfs/dbraw/zinc/06/38/77/219063877.db2.gz YHZBIGPWJAAGAE-QGZVFWFLSA-N 1 0 335.473 1.651 40 0 EDABRO COc1cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc(OC)c1 ZINC000003605785 210065180 /nfs/dbraw/zinc/06/51/80/210065180.db2.gz PMRBWALDBANZAM-UHFFFAOYSA-N 1 0 335.389 1.389 40 0 EDABRO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000035052934 213004932 /nfs/dbraw/zinc/00/49/32/213004932.db2.gz YKLOLFWVOCKEAE-FMKPAKJESA-N 1 0 339.432 1.691 40 0 EDABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)C1 ZINC000072373915 216177297 /nfs/dbraw/zinc/17/72/97/216177297.db2.gz FNPIDKSFTOIVPK-OAHLLOKOSA-N 1 0 343.406 1.769 40 0 EDABRO Cc1cc(Nc2cnccn2)nc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072382583 216182493 /nfs/dbraw/zinc/18/24/93/216182493.db2.gz OUFPTBZDRYICES-CYBMUJFWSA-N 1 0 341.419 1.196 40 0 EDABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 ZINC000072391685 216190957 /nfs/dbraw/zinc/19/09/57/216190957.db2.gz PPVXZDVVQPUDAT-CYBMUJFWSA-N 1 0 344.463 1.750 40 0 EDABRO CC(=O)N1CC[C@H](c2nn(CC[NH2+]CC(C)(C)C)c3nccnc23)C1 ZINC000072391618 216191169 /nfs/dbraw/zinc/19/11/69/216191169.db2.gz YWCRTTGVKAGXRY-AWEZNQCLSA-N 1 0 344.463 1.798 40 0 EDABRO CC1CCN([C@H]2[C@@H](C[NH2+]C3CCCCC3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466030 212135092 /nfs/dbraw/zinc/13/50/92/212135092.db2.gz XKJYRWWNDZAZDB-VSZNYVQBSA-N 1 0 326.481 1.130 40 0 biogenic,in-vitro EDABRO Cc1noc(C)c1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257226756 244200348 /nfs/dbraw/zinc/20/03/48/244200348.db2.gz FLZKGRYGOYZASN-AWEZNQCLSA-N 1 0 330.388 1.742 40 0 EDABRO Cc1cnccc1C[N@@H+]1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257244711 244253969 /nfs/dbraw/zinc/25/39/69/244253969.db2.gz IMLRGPZTEVYVTM-CRAIPNDOSA-N 1 0 344.415 1.159 40 0 EDABRO c1cnc(-c2nnn(C[C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cn1 ZINC000012338001 211350928 /nfs/dbraw/zinc/35/09/28/211350928.db2.gz XTNCZDWVQRYVJS-OAHLLOKOSA-N 1 0 336.403 1.437 40 0 EDABRO CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000306134249 257921342 /nfs/dbraw/zinc/92/13/42/257921342.db2.gz NGZMOGIMQPFWCL-OAHLLOKOSA-N 1 0 330.436 1.557 40 0 EDABRO COc1cc(N2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC(C)C)ncn1 ZINC000096230262 277381364 /nfs/dbraw/zinc/38/13/64/277381364.db2.gz IZTOTPAQPMFJCB-UHFFFAOYSA-N 1 0 347.463 1.254 40 0 EDABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218012849 278445047 /nfs/dbraw/zinc/44/50/47/278445047.db2.gz JBTQCEBIQQKOKJ-DVOMOZLQSA-N 1 0 340.445 1.419 40 0 EDABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 ZINC000253403851 279164056 /nfs/dbraw/zinc/16/40/56/279164056.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 1 0 329.488 1.649 40 0 biogenic,in-vitro EDABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1CCOCC1 ZINC000032251878 281098974 /nfs/dbraw/zinc/09/89/74/281098974.db2.gz YZRQMPQBKRVBBJ-WMZOPIPTSA-N 1 0 329.444 1.462 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039564 289170741 /nfs/dbraw/zinc/17/07/41/289170741.db2.gz RDAGUBQWWHPTKJ-MJGOQNOKSA-N 1 0 336.476 1.929 40 0 EDABRO Cc1c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2oc(=O)c1CCO ZINC000006484015 440994784 /nfs/dbraw/zinc/99/47/84/440994784.db2.gz ZWHQQZPSNWXEQV-ZDUSSCGKSA-N 1 0 335.400 1.374 40 0 EDABRO COc1ccc2cc(C[NH2+]CCCN3CCCC3=O)c(=O)[nH]c2c1 ZINC000013999240 441168649 /nfs/dbraw/zinc/16/86/49/441168649.db2.gz PJQUAYONCRZFQJ-UHFFFAOYSA-N 1 0 329.400 1.639 40 0 EDABRO Cn1c(C[NH2+][C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)nc2ccccc21 ZINC000072321871 441229973 /nfs/dbraw/zinc/22/99/73/441229973.db2.gz BYMXJKYQZAKNEP-SJFSSXKUSA-N 1 0 337.423 1.941 40 0 biogenic,in-vitro EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)cn1 ZINC000107230265 441405064 /nfs/dbraw/zinc/40/50/64/441405064.db2.gz XBEOTTRNUDUXIA-WMZOPIPTSA-N 1 0 332.448 1.317 40 0 EDABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000108528705 441460969 /nfs/dbraw/zinc/46/09/69/441460969.db2.gz XLYKSLVPTRRXFW-INIZCTEOSA-N 1 0 332.448 1.866 40 0 EDABRO Cc1nn(CCC(=O)NCC2([NH+](C)C)CCN(C)CC2)c(C)c1C ZINC000036740678 441609733 /nfs/dbraw/zinc/60/97/33/441609733.db2.gz FGYLGARGVXTDAY-UHFFFAOYSA-N 1 0 335.496 1.341 40 0 EDABRO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000096043427 441993013 /nfs/dbraw/zinc/99/30/13/441993013.db2.gz UIMOTVTYLQKQFD-KZNAEPCWSA-N 1 0 332.444 1.676 40 0 EDABRO O=C(c1cnccn1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046962 441995442 /nfs/dbraw/zinc/99/54/42/441995442.db2.gz XAYGPAVNVYDOBH-LJQANCHMSA-N 1 0 337.427 2.000 40 0 EDABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1)N1CCOCC1 ZINC000096057491 442005800 /nfs/dbraw/zinc/00/58/00/442005800.db2.gz TYOYORCHEULKFS-BZUAXINKSA-N 1 0 336.457 1.729 40 0 EDABRO O=C(N1CCCC1)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062346 442009196 /nfs/dbraw/zinc/00/91/96/442009196.db2.gz SOHZMHZMLUBRGI-SFHVURJKSA-N 1 0 337.464 1.406 40 0 EDABRO Cc1ccc(CN2Cc3nccn3C[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000096066994 442014513 /nfs/dbraw/zinc/01/45/13/442014513.db2.gz IWOIUFOYTPFXPC-MRXNPFEDSA-N 1 0 330.432 1.749 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC000096107339 442030387 /nfs/dbraw/zinc/03/03/87/442030387.db2.gz ZJTXONRSPIZIPI-AEFFLSMTSA-N 1 0 333.432 1.310 40 0 EDABRO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107588 442030964 /nfs/dbraw/zinc/03/09/64/442030964.db2.gz JIPKXAKLEYEEBN-YOEHRIQHSA-N 1 0 338.473 1.895 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)c1ccco1 ZINC000096108451 442032315 /nfs/dbraw/zinc/03/23/15/442032315.db2.gz LQXUVLPLUSFYEH-QAPCUYQASA-N 1 0 327.384 1.553 40 0 EDABRO O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096183599 442057294 /nfs/dbraw/zinc/05/72/94/442057294.db2.gz DVTAEUZMCDBFOO-RLFYNMQTSA-N 1 0 344.411 1.673 40 0 EDABRO Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](COCC[NH+](C)C)C1 ZINC000096188979 442066814 /nfs/dbraw/zinc/06/68/14/442066814.db2.gz NNSIYAKRCFHUIW-HNNXBMFYSA-N 1 0 345.447 1.072 40 0 EDABRO CCS(=O)(=O)N1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202192 442078294 /nfs/dbraw/zinc/07/82/94/442078294.db2.gz ITZLQYQWECGLJZ-OAHLLOKOSA-N 1 0 344.502 1.622 40 0 EDABRO CN(C)S(=O)(=O)N1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096207878 442081870 /nfs/dbraw/zinc/08/18/70/442081870.db2.gz BVOHDPJCHBKYRC-HNNXBMFYSA-N 1 0 345.509 1.006 40 0 EDABRO CC[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096209762 442085746 /nfs/dbraw/zinc/08/57/46/442085746.db2.gz MBLDVDLWEYABPR-VQIMIIECSA-N 1 0 346.475 1.631 40 0 EDABRO COCC(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@H]2COCc1cccnc1 ZINC000096217466 442088457 /nfs/dbraw/zinc/08/84/57/442088457.db2.gz OBGFPAMXUIUJLK-FUHWJXTLSA-N 1 0 333.432 1.025 40 0 EDABRO CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1cnccn1)C2 ZINC000096240646 442100268 /nfs/dbraw/zinc/10/02/68/442100268.db2.gz SUVNAWMOZBYGCA-QAPCUYQASA-N 1 0 348.447 1.065 40 0 EDABRO Cc1cccc(C[N@H+]2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 ZINC000096249159 442101290 /nfs/dbraw/zinc/10/12/90/442101290.db2.gz SBLOFDLAPSCSAR-WMLDXEAASA-N 1 0 325.416 1.608 40 0 EDABRO c1cnc(NCc2noc3c2CN(CC[NH+]2CCCC2)CC3)nc1 ZINC000096259736 442107723 /nfs/dbraw/zinc/10/77/23/442107723.db2.gz LMASLBDUHQJWAX-UHFFFAOYSA-N 1 0 328.420 1.531 40 0 EDABRO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000247502075 442858107 /nfs/dbraw/zinc/85/81/07/442858107.db2.gz FTLLIAVMTYZRIY-FRFSOERESA-N 1 0 349.456 1.164 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC ZINC000252516395 443039943 /nfs/dbraw/zinc/03/99/43/443039943.db2.gz SIPVHLNMZGRCOT-GZBFAFLISA-N 1 0 345.848 1.749 40 0 EDABRO [NH3+]CCCCC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1 ZINC000257306930 443140263 /nfs/dbraw/zinc/14/02/63/443140263.db2.gz SWPQWTSOKBRHDP-ZBFHGGJFSA-N 1 0 328.416 1.121 40 0 EDABRO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)C[NH3+])[C@H]1CCCCC(=O)N2 ZINC000257321504 443145875 /nfs/dbraw/zinc/14/58/75/443145875.db2.gz WBYJSBVUIIVFFN-GJYPPUQNSA-N 1 0 329.444 1.606 40 0 EDABRO COc1ccc([C@H]2CN(C(=O)c3nccn3C)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257321532 443146111 /nfs/dbraw/zinc/14/61/11/443146111.db2.gz WCBJBPBSZSBCIF-BRWVUGGUSA-N 1 0 340.427 1.646 40 0 EDABRO Cc1cnccc1C[N@@H+]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)[C@@](C)(O)C1 ZINC000257262116 443126607 /nfs/dbraw/zinc/12/66/07/443126607.db2.gz LKCRRCPOWLPTIZ-YJBOKZPZSA-N 1 0 344.415 1.159 40 0 EDABRO Cc1cc(N)cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)[nH+]1 ZINC000257279330 443127022 /nfs/dbraw/zinc/12/70/22/443127022.db2.gz OGCMNGXWKALKLD-MRXNPFEDSA-N 1 0 346.431 1.275 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)[nH+]1 ZINC000257280893 443127991 /nfs/dbraw/zinc/12/79/91/443127991.db2.gz OMVLXXFUVRESGD-INIZCTEOSA-N 1 0 342.399 1.193 40 0 EDABRO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@H+](CC(N)=O)C[C@@H]3C[C@@H]21 ZINC000257341070 443155368 /nfs/dbraw/zinc/15/53/68/443155368.db2.gz ZISLODXCEOXXER-MOWSHJCCSA-N 1 0 346.427 1.817 40 0 EDABRO CN(C)c1cc(N2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)ncn1 ZINC000306123362 444284615 /nfs/dbraw/zinc/28/46/15/444284615.db2.gz AKYUGMHIYZQJEV-ARFHVFGLSA-N 1 0 331.464 1.480 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306135891 444286782 /nfs/dbraw/zinc/28/67/82/444286782.db2.gz PDWBXKYTNXYWDK-ZIAGYGMSSA-N 1 0 343.406 1.471 40 0 EDABRO c1cncc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CC3)n2)c1 ZINC000329007244 444443002 /nfs/dbraw/zinc/44/30/02/444443002.db2.gz LJYZCXMCAFGMTA-UHFFFAOYSA-N 1 0 338.459 1.758 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514289504 448160067 /nfs/dbraw/zinc/16/00/67/448160067.db2.gz MTPVTDJCCWAEDM-QZTJIDSGSA-N 1 0 330.476 1.043 40 0 biogenic,in-vitro EDABRO O=C(c1ccccc1)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103125 448686808 /nfs/dbraw/zinc/68/68/08/448686808.db2.gz DJOFRACYYHXCQL-ROUUACIJSA-N 1 0 344.455 1.765 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585269417 448716986 /nfs/dbraw/zinc/71/69/86/448716986.db2.gz SRFFNKOWZUHBBF-IBGZPJMESA-N 1 0 332.444 1.822 40 0 EDABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1 ZINC000585097202 448681327 /nfs/dbraw/zinc/68/13/27/448681327.db2.gz IRWDLNRZVMTQEQ-INIZCTEOSA-N 1 0 330.407 1.927 40 0 EDABRO C[NH+](C)C[C@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585098577 448684255 /nfs/dbraw/zinc/68/42/55/448684255.db2.gz ZLACSNDHFLFTCO-CQSZACIVSA-N 1 0 342.399 1.588 40 0 EDABRO O[C@H]1CC[N@@H+](C2CCOCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585288120 448733195 /nfs/dbraw/zinc/73/31/95/448733195.db2.gz WSAKMAHDLNWSIL-RDJZCZTQSA-N 1 0 343.370 1.320 40 0 EDABRO CCn1cc(C[NH+]2CCC3(CN(C(C)=O)[C@@](C)(CO)C3)CC2)cn1 ZINC000257222146 536051682 /nfs/dbraw/zinc/05/16/82/536051682.db2.gz DSCVKTZGYCRVKK-QGZVFWFLSA-N 1 0 334.464 1.488 40 0 EDABRO O=C(C[NH2+]CCCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 ZINC000035311455 213019464 /nfs/dbraw/zinc/01/94/64/213019464.db2.gz HDSZUQRZQVIRDM-UHFFFAOYSA-N 1 0 346.475 1.537 40 0 EDABRO [NH3+][C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218484421 241327123 /nfs/dbraw/zinc/32/71/23/241327123.db2.gz JKUXKKNUZIABGL-PMPSAXMXSA-N 1 0 337.828 1.970 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)C[NH3+])cc1 ZINC000218630547 241335066 /nfs/dbraw/zinc/33/50/66/241335066.db2.gz QPHVQXMJYZQXFE-ZACQAIPSSA-N 1 0 334.416 1.730 40 0 EDABRO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+]([C@@H]1CCOC1)C2 ZINC000253588592 244026090 /nfs/dbraw/zinc/02/60/90/244026090.db2.gz JJANFKZRZLXKJJ-MAUKXSAKSA-N 1 0 328.416 1.716 40 0 EDABRO c1csc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)n1 ZINC000253596222 244032500 /nfs/dbraw/zinc/03/25/00/244032500.db2.gz ORABJWNJSQSFJK-RDJZCZTQSA-N 1 0 337.489 1.989 40 0 EDABRO O=C(c1cnco1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257205802 244133821 /nfs/dbraw/zinc/13/38/21/244133821.db2.gz BAPJSBXCOCEHEL-SFHVURJKSA-N 1 0 327.384 1.310 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)[nH+]1 ZINC000257206634 244136562 /nfs/dbraw/zinc/13/65/62/244136562.db2.gz BEHIZKCGEWHPSX-HNNXBMFYSA-N 1 0 329.404 1.403 40 0 EDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCCn2ccnc2)cc1 ZINC000257222413 244187597 /nfs/dbraw/zinc/18/75/97/244187597.db2.gz DTESNGIUSCMRAD-KRWDZBQOSA-N 1 0 328.416 1.845 40 0 EDABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)CC1 ZINC000257224954 244199857 /nfs/dbraw/zinc/19/98/57/244199857.db2.gz FECSAWBIDCABFN-INIZCTEOSA-N 1 0 348.447 1.074 40 0 EDABRO Cc1nccnc1CC[C@H]1COCCN1C(=O)C[N@@H+](C)C1CCCC1 ZINC000257236247 244230218 /nfs/dbraw/zinc/23/02/18/244230218.db2.gz HBIOMCMVORZLPO-KRWDZBQOSA-N 1 0 346.475 1.819 40 0 EDABRO CN(C)c1cnc(C[C@H]2CCCN(C(=O)C3([NH3+])CCCC3)CC2)cn1 ZINC000257252587 244272404 /nfs/dbraw/zinc/27/24/04/244272404.db2.gz JVHPWBKZLFAQDG-HNNXBMFYSA-N 1 0 345.491 1.985 40 0 EDABRO O=C(CC1(O)CCCCC1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257259522 244292410 /nfs/dbraw/zinc/29/24/10/244292410.db2.gz KYTGIHZGLFTJDE-JFIYKMOQSA-N 1 0 338.492 1.956 40 0 EDABRO CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C[NH+](C)C)CC2 ZINC000257275142 244392526 /nfs/dbraw/zinc/39/25/26/244392526.db2.gz NOBODCFULZOVJE-KRWDZBQOSA-N 1 0 331.460 1.835 40 0 EDABRO CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCC[NH+](C)C)c1 ZINC000257322828 244525297 /nfs/dbraw/zinc/52/52/97/244525297.db2.gz WHOQISSFYZRYML-UHFFFAOYSA-N 1 0 343.431 1.190 40 0 EDABRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581876 212047408 /nfs/dbraw/zinc/04/74/08/212047408.db2.gz IQHUNDHZBMQYAA-NVXWUHKLSA-N 1 0 344.459 1.373 40 0 EDABRO CC[NH+]1CCN(CCN2CCN3CCc4cccc(c43)C2=O)CC1 ZINC000019528199 212039769 /nfs/dbraw/zinc/03/97/69/212039769.db2.gz HNAUGMHDNAZWSK-UHFFFAOYSA-N 1 0 328.460 1.142 40 0 EDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 ZINC000019346674 212020052 /nfs/dbraw/zinc/02/00/52/212020052.db2.gz NWXYZEASZHBOLZ-CQSZACIVSA-N 1 0 327.432 1.896 40 0 EDABRO CCn1cc(C[NH+]2CCC(O)(Cn3nc(C)ccc3=O)CC2)c(C)n1 ZINC000012325251 211349346 /nfs/dbraw/zinc/34/93/46/211349346.db2.gz WTIXULLROHEROW-UHFFFAOYSA-N 1 0 345.447 1.104 40 0 EDABRO CC[NH+](CC)C[C@H]1CC[C@]2(COCCN(C(=O)c3cccn3C)C2)O1 ZINC000248123962 284735443 /nfs/dbraw/zinc/73/54/43/284735443.db2.gz LBXHERFXUOYOOQ-APWZRJJASA-N 1 0 349.475 1.757 40 0 EDABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252515631 257659511 /nfs/dbraw/zinc/65/95/11/257659511.db2.gz MHPHAHDETPUDMN-ZACQAIPSSA-N 1 0 346.408 1.011 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 ZINC000306144413 257926040 /nfs/dbraw/zinc/92/60/40/257926040.db2.gz ZENCKSCFGBIWOA-OAHLLOKOSA-N 1 0 333.432 1.420 40 0 EDABRO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000257250327 278125080 /nfs/dbraw/zinc/12/50/80/278125080.db2.gz JMBWDLWUQMNWEB-SFHVURJKSA-N 1 0 345.447 1.261 40 0 EDABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000008253137 441087456 /nfs/dbraw/zinc/08/74/56/441087456.db2.gz NJEPBFWGVZRZDM-UHFFFAOYSA-N 1 0 330.812 1.729 40 0 EDABRO [NH3+]CCN1CCO[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000008559505 441095385 /nfs/dbraw/zinc/09/53/85/441095385.db2.gz VGXIVPDAJYLFFI-GFCCVEGCSA-N 1 0 345.321 1.220 40 0 EDABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](CC3CC3)C2)c2nccnc21 ZINC000019021543 441253139 /nfs/dbraw/zinc/25/31/39/441253139.db2.gz OCUZVIRJTNUAQJ-AWEZNQCLSA-N 1 0 328.420 1.162 40 0 EDABRO Cc1cc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000019567488 441257881 /nfs/dbraw/zinc/25/78/81/441257881.db2.gz IZBVKXPGWYFINJ-XLNTUCKNSA-N 1 0 347.503 1.923 40 0 EDABRO Cc1cccc(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)n1 ZINC000107713070 441426923 /nfs/dbraw/zinc/42/69/23/441426923.db2.gz XROHDVBSBDDFNP-WDYCEAGBSA-N 1 0 329.444 1.992 40 0 EDABRO O=C(c1cnccn1)N1CCO[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108528502 441460604 /nfs/dbraw/zinc/46/06/04/441460604.db2.gz MHJWTUSHFYKBMR-SZMVWBNQSA-N 1 0 342.443 1.748 40 0 EDABRO c1c2c(nn1CC1CCOCC1)[C@@H](C[NH2+]CC1CCOCC1)OCC2 ZINC000096044429 441993141 /nfs/dbraw/zinc/99/31/41/441993141.db2.gz NNWQABVICBZTKX-GOSISDBHSA-N 1 0 349.475 1.940 40 0 EDABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2cnn(C)c2)CC3)c1 ZINC000096051693 441999523 /nfs/dbraw/zinc/99/95/23/441999523.db2.gz DVTNYXQACMNCOX-KRWDZBQOSA-N 1 0 341.459 1.933 40 0 EDABRO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](CC2CCOCC2)C3)cn1 ZINC000096052083 442001100 /nfs/dbraw/zinc/00/11/00/442001100.db2.gz BLYASCITYFFUQL-ROUUACIJSA-N 1 0 335.448 1.417 40 0 EDABRO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccn2)C1 ZINC000096038949 441985511 /nfs/dbraw/zinc/98/55/11/441985511.db2.gz AYKPRCYMRXKKDL-ZTFGCOKTSA-N 1 0 341.411 1.970 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096038648 441985661 /nfs/dbraw/zinc/98/56/61/441985661.db2.gz LSXNLSHVHOZLEH-FVQBIDKESA-N 1 0 335.404 1.150 40 0 EDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096055920 442003184 /nfs/dbraw/zinc/00/31/84/442003184.db2.gz QWIMDKUMQBVUAL-YOEHRIQHSA-N 1 0 326.437 1.145 40 0 EDABRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)s1 ZINC000096059729 442008773 /nfs/dbraw/zinc/00/87/73/442008773.db2.gz JYMNFFOARIFADS-HNNXBMFYSA-N 1 0 348.472 1.745 40 0 EDABRO Cn1ccnc1CN1CCOC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096070368 442018407 /nfs/dbraw/zinc/01/84/07/442018407.db2.gz BGQLQLLNLGOBEU-LJQANCHMSA-N 1 0 341.459 1.540 40 0 EDABRO O=C(c1ccc[nH]1)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096070357 442018432 /nfs/dbraw/zinc/01/84/32/442018432.db2.gz GUBPQSMIPJPCTB-SFHVURJKSA-N 1 0 333.432 1.358 40 0 EDABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096076372 442021498 /nfs/dbraw/zinc/02/14/98/442021498.db2.gz GIDLNRIBWKITNO-SFHVURJKSA-N 1 0 335.448 1.396 40 0 EDABRO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC000096108083 442032405 /nfs/dbraw/zinc/03/24/05/442032405.db2.gz HSPIYPSENJMCKH-GDBMZVCRSA-N 1 0 346.456 1.455 40 0 EDABRO O=C(COC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000096108808 442033503 /nfs/dbraw/zinc/03/35/03/442033503.db2.gz LQNBXVUOHAJJLC-APWZRJJASA-N 1 0 345.443 1.169 40 0 EDABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cnn(C)c2)COC1 ZINC000096112684 442037264 /nfs/dbraw/zinc/03/72/64/442037264.db2.gz WCETXNKCRGEWAF-ZDUSSCGKSA-N 1 0 327.388 1.640 40 0 biogenic,in-vitro EDABRO c1cnc(N[C@@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)nc1 ZINC000096221654 442091297 /nfs/dbraw/zinc/09/12/97/442091297.db2.gz MRJGUOCKRAEDFS-INIZCTEOSA-N 1 0 332.448 1.939 40 0 EDABRO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)n1 ZINC000096227807 442094634 /nfs/dbraw/zinc/09/46/34/442094634.db2.gz SXIVCAJRQJIDGP-KRWDZBQOSA-N 1 0 329.444 1.851 40 0 EDABRO Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1 ZINC000096160228 442050913 /nfs/dbraw/zinc/05/09/13/442050913.db2.gz HRCOIRBEOGWCBG-QUCCMNQESA-N 1 0 346.471 1.876 40 0 EDABRO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)O1 ZINC000096186945 442063791 /nfs/dbraw/zinc/06/37/91/442063791.db2.gz PQTXEEAOZZRNTI-ZACQAIPSSA-N 1 0 336.407 1.710 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)cn1 ZINC000096199900 442074235 /nfs/dbraw/zinc/07/42/35/442074235.db2.gz HVSJHQNWBJLJBY-MRXNPFEDSA-N 1 0 325.416 1.453 40 0 EDABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1)NC1CC1 ZINC000096208176 442083893 /nfs/dbraw/zinc/08/38/93/442083893.db2.gz CFVOOIPACQYPNK-DHSIGJKJSA-N 1 0 344.411 1.673 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)CCc1ccccc1)CC[C@@H]2OC ZINC000096209880 442085657 /nfs/dbraw/zinc/08/56/57/442085657.db2.gz VLOPBHJVTSOGBT-OTWHNJEPSA-N 1 0 346.471 1.813 40 0 EDABRO Cc1noc(C)c1CN1CCC[C@]2(CCC[N@H+]2CC(=O)N(C)C)C1 ZINC000096214881 442085803 /nfs/dbraw/zinc/08/58/03/442085803.db2.gz YNEJUHFUMMLNEC-SFHVURJKSA-N 1 0 334.464 1.810 40 0 EDABRO COCC(=O)N[C@@H]1COCCC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096216997 442088567 /nfs/dbraw/zinc/08/85/67/442088567.db2.gz PMDLRIBYVDMEAB-QGZVFWFLSA-N 1 0 347.459 1.524 40 0 EDABRO O=C(c1nccn2ccnc12)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000096450194 442134955 /nfs/dbraw/zinc/13/49/55/442134955.db2.gz FSYAADNGAMIQOG-ZNMIVQPWSA-N 1 0 325.416 1.676 40 0 EDABRO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2=O)cc1 ZINC000096245350 442101531 /nfs/dbraw/zinc/10/15/31/442101531.db2.gz LGICIDISLZHYFG-WMZOPIPTSA-N 1 0 340.427 1.519 40 0 EDABRO Cn1nc(C[NH+]2CCCC2)c2c1CN(C(=O)c1cccnc1)CC2 ZINC000096255902 442106419 /nfs/dbraw/zinc/10/64/19/442106419.db2.gz MBWQQMJMOSKCCW-UHFFFAOYSA-N 1 0 325.416 1.609 40 0 EDABRO CC[N@@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000248101224 442881933 /nfs/dbraw/zinc/88/19/33/442881933.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 1 0 335.452 1.224 40 0 EDABRO COc1ccc(Oc2cncc([C@@H]3CCCN3C(=O)C[NH3+])n2)cc1 ZINC000257285663 443131288 /nfs/dbraw/zinc/13/12/88/443131288.db2.gz PIEBIZMQIMREOZ-HNNXBMFYSA-N 1 0 328.372 1.900 40 0 EDABRO Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C4CC[NH2+]CC4)C3)ccc12 ZINC000257287779 443132510 /nfs/dbraw/zinc/13/25/10/443132510.db2.gz PRMRIOQWELGKCL-GFCCVEGCSA-N 1 0 328.420 1.246 40 0 EDABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ncccn3)CCO2)[nH+]1 ZINC000257300651 443137289 /nfs/dbraw/zinc/13/72/89/443137289.db2.gz RVENEAFDKRPYSY-OAHLLOKOSA-N 1 0 327.388 1.460 40 0 EDABRO O=C(c1cccnc1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257315154 443143801 /nfs/dbraw/zinc/14/38/01/443143801.db2.gz VADSQBWWVNVYCR-FQEVSTJZSA-N 1 0 337.423 1.717 40 0 EDABRO O=C(C[N@H+]1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1)N1CCCCC1 ZINC000257242550 443125736 /nfs/dbraw/zinc/12/57/36/443125736.db2.gz IDBPVVYONJLYKJ-OWCLPIDISA-N 1 0 329.448 1.611 40 0 EDABRO C[NH+]1CCC(Cc2ccccc2F)(C(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000257279664 443127982 /nfs/dbraw/zinc/12/79/82/443127982.db2.gz OHQIDQDREOWQSU-MRXNPFEDSA-N 1 0 347.434 1.475 40 0 EDABRO O=S(=O)(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1 ZINC000257284420 443130465 /nfs/dbraw/zinc/13/04/65/443130465.db2.gz PCQGAIHBMARDIF-BRWVUGGUSA-N 1 0 338.473 1.733 40 0 EDABRO CO[C@H]1[C@@H]2OCO[C@H]2C[C@H]2[C@@H](O)C[N@@H+]([C@H](C)c3ccccc3)C[C@@H]12 ZINC000261829898 443171038 /nfs/dbraw/zinc/17/10/38/443171038.db2.gz XURKOQQWNGJKKI-GUGQIIKSSA-N 1 0 333.428 1.817 40 0 EDABRO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CC[C@H]21 ZINC000257336194 443152976 /nfs/dbraw/zinc/15/29/76/443152976.db2.gz YNMSTTCRWJVZEI-FUHWJXTLSA-N 1 0 332.444 1.891 40 0 EDABRO CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 ZINC000306123205 444284632 /nfs/dbraw/zinc/28/46/32/444284632.db2.gz AHFQDTAWPLHKRF-CZUORRHYSA-N 1 0 339.461 1.531 40 0 EDABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)CCF)C2 ZINC000306130112 444285609 /nfs/dbraw/zinc/28/56/09/444285609.db2.gz IWJHUSLIKNLFAF-OAHLLOKOSA-N 1 0 335.423 1.881 40 0 EDABRO O=C(N[C@@H]1CCOC[C@@]12CC[N@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000306135693 444286608 /nfs/dbraw/zinc/28/66/08/444286608.db2.gz OXXQELVUKWZOGS-MJGOQNOKSA-N 1 0 344.459 1.868 40 0 EDABRO CN1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CC3CC3)CC2)C1 ZINC000306139939 444287143 /nfs/dbraw/zinc/28/71/43/444287143.db2.gz UERPZNLCOSLUAL-UHFFFAOYSA-N 1 0 338.459 1.987 40 0 EDABRO COc1ccc2c(c1)CCN(c1cc(C)nc(NCC[NH+](C)C)n1)C2 ZINC000329046046 444456865 /nfs/dbraw/zinc/45/68/65/444456865.db2.gz TZISRMCVWVXRIX-UHFFFAOYSA-N 1 0 341.459 2.330 40 0 EDABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289003 448159966 /nfs/dbraw/zinc/15/99/66/448159966.db2.gz NTNLNAALFXARFM-JENIJYKNSA-N 1 0 348.487 1.842 40 0 biogenic,in-vitro EDABRO O=C(c1ccnc(F)c1)N1CC[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108310 448688967 /nfs/dbraw/zinc/68/89/67/448688967.db2.gz YDBVCCDMFPGDRY-HZPDHXFCSA-N 1 0 333.407 1.794 40 0 EDABRO CNC(=O)[C@]1(C)C[N@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585284122 448731199 /nfs/dbraw/zinc/73/11/99/448731199.db2.gz HCVZQYLLFDVXTH-JCGIZDLHSA-N 1 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ZINC000575402714 449090955 /nfs/dbraw/zinc/09/09/55/449090955.db2.gz AYVQYQVGSHQVMM-MRXNPFEDSA-N 1 0 328.416 1.625 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218082487 535596005 /nfs/dbraw/zinc/59/60/05/535596005.db2.gz AVRKSDQXIJUDCM-YCPHGPKFSA-N 1 0 341.429 1.104 40 0 EDABRO CN(C(=O)COc1ccc(F)cc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257241291 535998405 /nfs/dbraw/zinc/99/84/05/535998405.db2.gz HXMLBFLMSHWFIL-JFIYKMOQSA-N 1 0 336.407 1.651 40 0 EDABRO Cn1cnc(CNC(=O)c2ccccc2-n2cc(C[NH+](C)C)cn2)c1 ZINC000257253078 536060678 /nfs/dbraw/zinc/06/06/78/536060678.db2.gz JXMICNNNTIJLFT-UHFFFAOYSA-N 1 0 338.415 1.597 40 0 EDABRO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2)C[C@](O)(Cn2cccn2)C1 ZINC000072354434 216162182 /nfs/dbraw/zinc/16/21/82/216162182.db2.gz MYQXRRKSQKXQHJ-KRWDZBQOSA-N 1 0 348.834 1.355 40 0 EDABRO NC(=O)C[N@@H+]1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000072363504 216170193 /nfs/dbraw/zinc/17/01/93/216170193.db2.gz FVVGVPNXTWBVMD-AWEZNQCLSA-N 1 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COc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@H](C(=O)N(C)C)C1 ZINC000257225094 244197246 /nfs/dbraw/zinc/19/72/46/244197246.db2.gz FETXEZNXDUOIPJ-MRXNPFEDSA-N 1 0 333.432 1.064 40 0 EDABRO COc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C1 ZINC000257225093 244199100 /nfs/dbraw/zinc/19/91/00/244199100.db2.gz FETXEZNXDUOIPJ-INIZCTEOSA-N 1 0 333.432 1.064 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)CCc3ccccc3)CC2)OC[C@]1(C)O ZINC000257235144 244226022 /nfs/dbraw/zinc/22/60/22/244226022.db2.gz GWPZWPGKMVTYNF-HKUYNNGSSA-N 1 0 346.471 1.740 40 0 EDABRO CC(=O)N1CCC(Cc2cnc(CN3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000257246935 244257907 /nfs/dbraw/zinc/25/79/07/244257907.db2.gz IWQJBYZGSGGZOQ-UHFFFAOYSA-N 1 0 345.491 1.415 40 0 EDABRO O=C(c1cnccn1)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257262532 244351501 /nfs/dbraw/zinc/35/15/01/244351501.db2.gz LLUCKGVVNGQPOW-LJQANCHMSA-N 1 0 338.411 1.112 40 0 EDABRO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257264655 244357992 /nfs/dbraw/zinc/35/79/92/244357992.db2.gz LVLUXARQQHGYPV-BDXSIMOUSA-N 1 0 347.459 1.589 40 0 EDABRO O=C(Cn1cncn1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257273394 244386137 /nfs/dbraw/zinc/38/61/37/244386137.db2.gz NGJLJZLVYKLMOI-INIZCTEOSA-N 1 0 341.415 1.222 40 0 EDABRO COc1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)cc(OC)c1OC ZINC000019575218 212044968 /nfs/dbraw/zinc/04/49/68/212044968.db2.gz DZDZQFGBRSXCJD-BPLDGKMQSA-N 1 0 336.432 1.352 40 0 EDABRO Cc1c(-c2cc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)no2)cnn1C ZINC000019554056 212041414 /nfs/dbraw/zinc/04/14/14/212041414.db2.gz QZIHDYZXZNKYCP-CYBMUJFWSA-N 1 0 331.420 1.940 40 0 EDABRO CCOc1cc2c(cc1CN1C[C@@H]3CCC[N@@H+]3C[C@@H]1CCO)OCO2 ZINC000019532422 212039684 /nfs/dbraw/zinc/03/96/84/212039684.db2.gz ZURAUTZFCPAYPE-HOTGVXAUSA-N 1 0 348.443 1.845 40 0 EDABRO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](CC)CC1 ZINC000019502125 212035047 /nfs/dbraw/zinc/03/50/47/212035047.db2.gz VQMITMDPZCWEEE-JKSUJKDBSA-N 1 0 336.484 1.721 40 0 EDABRO COc1cc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)nc(OC)n1 ZINC000019496544 212032311 /nfs/dbraw/zinc/03/23/11/212032311.db2.gz QZSUYBZWHUBGHZ-GFCCVEGCSA-N 1 0 336.436 1.734 40 0 EDABRO C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CC[NH+](C)C)n1 ZINC000019457410 212030268 /nfs/dbraw/zinc/03/02/68/212030268.db2.gz INVOWODKCOBSOR-LLVKDONJSA-N 1 0 338.843 1.421 40 0 EDABRO CCN(CC1CCN(C(=O)C[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000079412433 217221551 /nfs/dbraw/zinc/22/15/51/217221551.db2.gz ZVCJSOYNFYOVMR-UHFFFAOYSA-N 1 0 333.432 1.842 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1 ZINC000079420026 217223247 /nfs/dbraw/zinc/22/32/47/217223247.db2.gz LSDAKEYOMULXEP-INIZCTEOSA-N 1 0 333.432 1.841 40 0 EDABRO CC1(C)CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000331487087 141037499 /nfs/dbraw/zinc/03/74/99/141037499.db2.gz AKRDTGISOXXMHZ-MFKMUULPSA-N 1 0 339.358 1.246 40 0 EDABRO COCCN1CC2(CC[NH2+]CC2)COc2ccccc2S1(=O)=O ZINC000096145165 292521912 /nfs/dbraw/zinc/52/19/12/292521912.db2.gz XVGYXNIMLKOUSW-UHFFFAOYSA-N 1 0 340.445 1.086 40 0 EDABRO COc1cccc(C[NH2+]C[C@H]2COCc3nc4cccnc4n32)n1 ZINC000096112801 274146531 /nfs/dbraw/zinc/14/65/31/274146531.db2.gz XKYQMOJWYRYXBF-ZDUSSCGKSA-N 1 0 325.372 1.696 40 0 biogenic,in-vitro EDABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C3CCC3)CCN21 ZINC000253398836 278124352 /nfs/dbraw/zinc/12/43/52/278124352.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 1 0 329.488 1.792 40 0 biogenic,in-vitro EDABRO CC(C)[N@H+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2cccn2C)C1 ZINC000096188316 279372946 /nfs/dbraw/zinc/37/29/46/279372946.db2.gz SINXPDJCGMZVTQ-OAHLLOKOSA-N 1 0 329.448 1.834 40 0 EDABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C[NH3+])cc1 ZINC000218524565 280970967 /nfs/dbraw/zinc/97/09/67/280970967.db2.gz GPAMHLUBMHNDQF-KZNAEPCWSA-N 1 0 330.453 1.899 40 0 EDABRO O[C@@H]1[C@@H](N2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000012529618 441134173 /nfs/dbraw/zinc/13/41/73/441134173.db2.gz WJKYOSUFZWUIKK-HSFUPAIVSA-N 1 0 336.407 1.254 40 0 biogenic,in-vitro EDABRO COc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529614 441134208 /nfs/dbraw/zinc/13/42/08/441134208.db2.gz AEPIQDNEKOXWMO-IEWDOMPSSA-N 1 0 348.443 1.124 40 0 biogenic,in-vitro EDABRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000071834844 441165395 /nfs/dbraw/zinc/16/53/95/441165395.db2.gz KOQNVMKCBRYEKR-UHFFFAOYSA-N 1 0 337.729 1.975 40 0 EDABRO CCc1cccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c21 ZINC000013566699 441160836 /nfs/dbraw/zinc/16/08/36/441160836.db2.gz ZWNAAYOAMCSTOZ-UHFFFAOYSA-N 1 0 329.444 1.902 40 0 EDABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cncc(C[NH3+])n1 ZINC000072387940 441231252 /nfs/dbraw/zinc/23/12/52/441231252.db2.gz DZIXINTXUOKJNP-ZDUSSCGKSA-N 1 0 337.405 1.066 40 0 EDABRO CC(=O)N[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C2(C1)CC[NH2+]CC2 ZINC000019704058 441258650 /nfs/dbraw/zinc/25/86/50/441258650.db2.gz YATIVKDSLZUFTF-INIZCTEOSA-N 1 0 344.459 1.225 40 0 EDABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](CCOC)C1 ZINC000019695756 441258653 /nfs/dbraw/zinc/25/86/53/441258653.db2.gz FBGINNYBHRUPPF-LJQANCHMSA-N 1 0 343.427 1.969 40 0 EDABRO COCCOc1cccc(CN2C[C@H]3C[NH2+]CC[C@@]3(NC(C)=O)C2)c1 ZINC000019713616 441259574 /nfs/dbraw/zinc/25/95/74/441259574.db2.gz KTNDVTUNXVNJTL-IEBWSBKVSA-N 1 0 347.459 1.012 40 0 EDABRO c1cn2c(n1)C[N@H+](C[C@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000107209061 441404155 /nfs/dbraw/zinc/40/41/55/441404155.db2.gz CIPQPPFWMORJAI-IAGOWNOFSA-N 1 0 342.443 1.963 40 0 EDABRO O=S(=O)(NC1CC2(C1)CC[NH+](Cc1cccnc1)CC2)C1CC1 ZINC000108525966 441458739 /nfs/dbraw/zinc/45/87/39/441458739.db2.gz GRKYJGYBUUQYDA-UHFFFAOYSA-N 1 0 335.473 1.908 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108536546 441461823 /nfs/dbraw/zinc/46/18/23/441461823.db2.gz LHKIMAVKYRDURP-MJGOQNOKSA-N 1 0 346.475 1.580 40 0 EDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CC3CCOCC3)C[C@H]21)N1CCCO1 ZINC000096043396 441992749 /nfs/dbraw/zinc/99/27/49/441992749.db2.gz JIHDJDKAXSWMBH-IXDOHACOSA-N 1 0 338.448 1.304 40 0 EDABRO CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047815 441994941 /nfs/dbraw/zinc/99/49/41/441994941.db2.gz DEGGHWNGNZRESE-AWEZNQCLSA-N 1 0 338.473 1.976 40 0 EDABRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4nccs4)C3)C2=O)cn1 ZINC000096048778 441996766 /nfs/dbraw/zinc/99/67/66/441996766.db2.gz NZEMBFNTFRTQHK-INIZCTEOSA-N 1 0 331.445 1.896 40 0 EDABRO O=C(N1CCCC1)N1CCOC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052051 442000094 /nfs/dbraw/zinc/00/00/94/442000094.db2.gz XFPOZRIMDGRQFK-FUHWJXTLSA-N 1 0 337.464 1.406 40 0 EDABRO O=C([C@H]1C[N@H+](Cc2nccs2)CC12CCOCC2)N1CCCC1 ZINC000096052179 442000814 /nfs/dbraw/zinc/00/08/14/442000814.db2.gz KFIRYHLVZNHCNX-CQSZACIVSA-N 1 0 335.473 1.994 40 0 EDABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096037055 441983310 /nfs/dbraw/zinc/98/33/10/441983310.db2.gz OBGMKVLLPPHXCS-UHFFFAOYSA-N 1 0 328.464 1.752 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCC[NH+](C)C)C1 ZINC000096039541 441986023 /nfs/dbraw/zinc/98/60/23/441986023.db2.gz PPYXZJWCFPOWDQ-PKOBYXMFSA-N 1 0 349.475 1.615 40 0 EDABRO O=C(C1CC=CC1)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096041631 441990081 /nfs/dbraw/zinc/99/00/81/441990081.db2.gz HISSPKPVIAGMQI-RCCFBDPRSA-N 1 0 334.460 1.823 40 0 EDABRO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056948 442005498 /nfs/dbraw/zinc/00/54/98/442005498.db2.gz URLQMFVWMVMKQN-FUHWJXTLSA-N 1 0 336.432 1.756 40 0 EDABRO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096057126 442004676 /nfs/dbraw/zinc/00/46/76/442004676.db2.gz QBJFLXKUKVKURU-SCTDSRPQSA-N 1 0 329.444 1.977 40 0 EDABRO Cn1cc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cn1 ZINC000096061041 442007766 /nfs/dbraw/zinc/00/77/66/442007766.db2.gz WJMQPBBOCDZMKW-ZDUSSCGKSA-N 1 0 330.417 1.429 40 0 EDABRO Cn1ccnc1CN1CC[C@@H]2O[C@@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096064785 442012089 /nfs/dbraw/zinc/01/20/89/442012089.db2.gz QQOXEKMJUBYVPP-SQNIBIBYSA-N 1 0 348.491 1.654 40 0 EDABRO C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccc1 ZINC000096065755 442014769 /nfs/dbraw/zinc/01/47/69/442014769.db2.gz CMPIJVYJRQTVNA-YQVWRLOYSA-N 1 0 332.444 1.566 40 0 EDABRO Cc1ccc(NCc2cnc3n2CCN(CC[NH+](C)C)CC3)nn1 ZINC000096067942 442015747 /nfs/dbraw/zinc/01/57/47/442015747.db2.gz UHNZZHFJYLUFIJ-UHFFFAOYSA-N 1 0 329.452 1.013 40 0 EDABRO O=C(CO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccco3)C2)C1)N1CCCC1 ZINC000096107747 442030797 /nfs/dbraw/zinc/03/07/97/442030797.db2.gz DVFPRMNHGPHBKM-AEFFLSMTSA-N 1 0 334.416 1.652 40 0 EDABRO CO[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108617 442033130 /nfs/dbraw/zinc/03/31/30/442033130.db2.gz QIEUZYVKPBJTNZ-RCCFBDPRSA-N 1 0 348.443 1.754 40 0 EDABRO O=C(NCC1CC1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096224880 442092510 /nfs/dbraw/zinc/09/25/10/442092510.db2.gz DAYTVMOHUMQPIA-KRWDZBQOSA-N 1 0 329.444 1.979 40 0 EDABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)O1)N1CCCCO1 ZINC000096186995 442064235 /nfs/dbraw/zinc/06/42/35/442064235.db2.gz VJXJEPUEHHLYJO-ZACQAIPSSA-N 1 0 331.416 1.758 40 0 EDABRO COc1ccc(C(=O)N2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)cc1 ZINC000096187031 442064723 /nfs/dbraw/zinc/06/47/23/442064723.db2.gz PGWLLVZIVLWUIX-SQNIBIBYSA-N 1 0 348.443 1.645 40 0 EDABRO Cc1ccc(CN2Cc3ccnn3C[C@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188836 442067388 /nfs/dbraw/zinc/06/73/88/442067388.db2.gz WENSYPLULXFFQP-OAHLLOKOSA-N 1 0 345.447 1.094 40 0 EDABRO Cc1cncc(C(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC000096197234 442070702 /nfs/dbraw/zinc/07/07/02/442070702.db2.gz LYCQSVVYZNDZNY-UHFFFAOYSA-N 1 0 325.416 1.838 40 0 EDABRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200938 442075240 /nfs/dbraw/zinc/07/52/40/442075240.db2.gz PITHINRUCMEJTO-MSOLQXFVSA-N 1 0 330.480 1.679 40 0 EDABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)n1 ZINC000096201390 442076262 /nfs/dbraw/zinc/07/62/62/442076262.db2.gz AQMWAMVUPOBWJO-UHFFFAOYSA-N 1 0 329.444 1.993 40 0 EDABRO CCS(=O)(=O)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202160 442077461 /nfs/dbraw/zinc/07/74/61/442077461.db2.gz JPDAUHJPHGCZAE-OAHLLOKOSA-N 1 0 328.434 1.154 40 0 EDABRO c1c[nH]c(C[NH+]2CCC3(CC2)COCCN(c2ncccn2)C3)c1 ZINC000096239999 442099089 /nfs/dbraw/zinc/09/90/89/442099089.db2.gz CMVKVIPZUOPJLE-UHFFFAOYSA-N 1 0 327.432 1.924 40 0 EDABRO CC(C)[NH+]1CCC2(CC1)O[C@@H](C(=O)NCC1CC1)Cn1ccnc12 ZINC000096243607 442100717 /nfs/dbraw/zinc/10/07/17/442100717.db2.gz KSDNZKBXHSRECX-OAHLLOKOSA-N 1 0 332.448 1.508 40 0 EDABRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)COc3ccccc3)CC[C@@H]2C1 ZINC000096249620 442103620 /nfs/dbraw/zinc/10/36/20/442103620.db2.gz LCRMOWACHUEDMX-SJLPKXTDSA-N 1 0 348.443 1.261 40 0 EDABRO CN(C)C(=O)COC[C@H]1C[N@H+](CC2CCOCC2)Cc2cccn21 ZINC000248057984 442879167 /nfs/dbraw/zinc/87/91/67/442879167.db2.gz YMLFFDONGHQAIQ-QGZVFWFLSA-N 1 0 335.448 1.376 40 0 EDABRO O=C(CCOC1CCOCC1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000195536846 443030804 /nfs/dbraw/zinc/03/08/04/443030804.db2.gz COSXFBHPPHZKTI-LZLYRXPVSA-N 1 0 336.476 1.905 40 0 EDABRO C[N@@H+]1CCN(Cc2ccc(Br)cc2)C[C@H](C(N)=O)C1 ZINC000257312318 443142429 /nfs/dbraw/zinc/14/24/29/443142429.db2.gz UNJNFXAGQXNVSX-GFCCVEGCSA-N 1 0 326.238 1.298 40 0 EDABRO O=C(C1CCOCC1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257316408 443144655 /nfs/dbraw/zinc/14/46/55/443144655.db2.gz VFMCTFFAKALQQX-OAHLLOKOSA-N 1 0 332.391 1.108 40 0 EDABRO CC[NH2+][C@@H]1CCOC2(CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000257283313 443129432 /nfs/dbraw/zinc/12/94/32/443129432.db2.gz OXTJDCTYUAGEHA-CQSZACIVSA-N 1 0 339.461 1.393 40 0 EDABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000257282721 443129563 /nfs/dbraw/zinc/12/95/63/443129563.db2.gz OUYOIBHAOYYCQE-LBPRGKRZSA-N 1 0 329.491 1.747 40 0 EDABRO O=C([C@H]1CN(c2ccc(F)cc2)CC[NH2+]1)N1CCC(F)(F)CC1 ZINC000257331823 443151271 /nfs/dbraw/zinc/15/12/71/443151271.db2.gz XUKKOVKPBDMOKW-CQSZACIVSA-N 1 0 327.350 1.862 40 0 EDABRO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)Cc1ccccn1)C2 ZINC000306124567 444284983 /nfs/dbraw/zinc/28/49/83/444284983.db2.gz BTQMNKTZNOZLKR-QGZVFWFLSA-N 1 0 343.471 1.974 40 0 EDABRO CS(=O)(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306127260 444285015 /nfs/dbraw/zinc/28/50/15/444285015.db2.gz FTLLIAVMTYZRIY-YSVLISHTSA-N 1 0 349.456 1.164 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306127549 444285555 /nfs/dbraw/zinc/28/55/55/444285555.db2.gz GBNHLNNBTXDALT-UONOGXRCSA-N 1 0 329.404 1.314 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306135888 444286506 /nfs/dbraw/zinc/28/65/06/444286506.db2.gz PDWBXKYTNXYWDK-KBPBESRZSA-N 1 0 343.406 1.471 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306137881 444287162 /nfs/dbraw/zinc/28/71/62/444287162.db2.gz RJAWZPPYNPFQCF-RYUDHWBXSA-N 1 0 331.445 1.394 40 0 EDABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306139011 444287214 /nfs/dbraw/zinc/28/72/14/444287214.db2.gz SNDKCIVLSRPLSL-HIFRSBDPSA-N 1 0 342.399 1.027 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514289826 448159805 /nfs/dbraw/zinc/15/98/05/448159805.db2.gz PANCSNSQGBEDRB-ZWKOTPCHSA-N 1 0 347.478 1.787 40 0 biogenic,in-vitro EDABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000585168400 448715170 /nfs/dbraw/zinc/71/51/70/448715170.db2.gz REPLRZBIDCHHHU-MRXNPFEDSA-N 1 0 332.448 1.033 40 0 EDABRO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000585168399 448715417 /nfs/dbraw/zinc/71/54/17/448715417.db2.gz REPLRZBIDCHHHU-INIZCTEOSA-N 1 0 332.448 1.033 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585269138 448716667 /nfs/dbraw/zinc/71/66/67/448716667.db2.gz KLKXZKFERSNXTM-IBGZPJMESA-N 1 0 348.443 1.140 40 0 EDABRO CC(=O)N1CCC[C@H](NC(=O)C[NH+](C)C)[C@@H]1Cc1cccc(F)c1 ZINC000585280146 448729493 /nfs/dbraw/zinc/72/94/93/448729493.db2.gz BSDRRGYKNITIIY-IRXDYDNUSA-N 1 0 335.423 1.426 40 0 EDABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]C2CCCC2)C1 ZINC000585282221 448730017 /nfs/dbraw/zinc/73/00/17/448730017.db2.gz BVVSETOMQQQXFD-AZUAARDMSA-N 1 0 346.471 1.476 40 0 EDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])CO)cc1 ZINC000218518420 486544954 /nfs/dbraw/zinc/54/49/54/486544954.db2.gz RFIBODUCCUMGBI-KZNAEPCWSA-N 1 0 331.437 1.879 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)C1CCCCC1 ZINC000019404440 526478551 /nfs/dbraw/zinc/47/85/51/526478551.db2.gz BTVPVQMTLTXYPF-CQSZACIVSA-N 1 0 342.447 1.600 40 0 EDABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)C3CCOCC3)CC2)cn1 ZINC000257204772 536052872 /nfs/dbraw/zinc/05/28/72/536052872.db2.gz AWFLVWOKCVKSMD-UHFFFAOYSA-N 1 0 346.475 1.746 40 0 EDABRO C[NH+](C)CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000004537115 210215443 /nfs/dbraw/zinc/21/54/43/210215443.db2.gz KLLIEMXIOSWUSE-UHFFFAOYSA-N 1 0 331.416 1.521 40 0 EDABRO c1c(CC2([NH2+]C3CCCCC3)COC2)noc1CN1CCOCC1 ZINC000067898381 215246228 /nfs/dbraw/zinc/24/62/28/215246228.db2.gz SMARHKVDFANWGK-UHFFFAOYSA-N 1 0 335.448 1.741 40 0 biogenic,in-vitro EDABRO O=C(C[NH2+]CCN1CCOCC1)Nc1ccc(N2CCCC2)cc1 ZINC000035311456 213018932 /nfs/dbraw/zinc/01/89/32/213018932.db2.gz LIHGISOJINGTDA-UHFFFAOYSA-N 1 0 332.448 1.147 40 0 EDABRO NC(=O)C[N@@H+]1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000072363507 216169782 /nfs/dbraw/zinc/16/97/82/216169782.db2.gz SSOKMJWGNGOGIW-OAHLLOKOSA-N 1 0 325.416 1.960 40 0 EDABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218399750 241319628 /nfs/dbraw/zinc/31/96/28/241319628.db2.gz GURMLFBGOVMKKE-KSZLIROESA-N 1 0 331.437 1.872 40 0 EDABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193524 241305621 /nfs/dbraw/zinc/30/56/21/241305621.db2.gz KDGARTSPQVYESW-AGIUHOORSA-N 1 0 348.262 1.551 40 0 EDABRO O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096040756 284010738 /nfs/dbraw/zinc/01/07/38/284010738.db2.gz ZXJWUHZDCHWDHY-OLMNPRSZSA-N 1 0 341.411 1.685 40 0 EDABRO Cn1cc(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cn1 ZINC000257201667 244119983 /nfs/dbraw/zinc/11/99/83/244119983.db2.gz AIMQFHYXAUPZBQ-HNNXBMFYSA-N 1 0 325.416 1.988 40 0 EDABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccnc(C)n2)c1 ZINC000257209669 244146722 /nfs/dbraw/zinc/14/67/22/244146722.db2.gz BRJYKYBATQWVHA-QGZVFWFLSA-N 1 0 325.416 1.291 40 0 EDABRO COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2O)cc1 ZINC000257215819 244165725 /nfs/dbraw/zinc/16/57/25/244165725.db2.gz CRUGTIKAQGBOAA-QZTJIDSGSA-N 1 0 343.427 1.351 40 0 EDABRO Cc1ncc(CNC(=O)Cc2cccnc2)c([C@H]2CCC[N@H+]2C)n1 ZINC000257216667 244171298 /nfs/dbraw/zinc/17/12/98/244171298.db2.gz CVPKWZORBQEKEC-MRXNPFEDSA-N 1 0 325.416 1.806 40 0 EDABRO O=C(COc1ccc(F)cc1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257237713 244231619 /nfs/dbraw/zinc/23/16/19/244231619.db2.gz HHVGKKRBSWJWJE-JFIYKMOQSA-N 1 0 336.407 1.699 40 0 EDABRO c1cc(C[C@@H]2COCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000257241616 244244677 /nfs/dbraw/zinc/24/46/77/244244677.db2.gz HYTUGTDHABXMSB-INIZCTEOSA-N 1 0 341.411 1.939 40 0 EDABRO Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)CC[NH3+])CCO2)n1 ZINC000257259722 244293518 /nfs/dbraw/zinc/29/35/18/244293518.db2.gz KZRDZGAURVGFLC-HNNXBMFYSA-N 1 0 330.388 1.602 40 0 EDABRO CO[C@H]1CN(C(=O)c2ccc(OCC[NH+](C)C)cc2)C[C@@]12CCCO2 ZINC000257260897 244348387 /nfs/dbraw/zinc/34/83/87/244348387.db2.gz LEYNNDZEUQTJOK-HKUYNNGSSA-N 1 0 348.443 1.647 40 0 EDABRO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1ccnc(C)n1)CC2 ZINC000257274808 244389173 /nfs/dbraw/zinc/38/91/73/244389173.db2.gz NMSQWBAWAVVJJC-QGZVFWFLSA-N 1 0 332.448 1.370 40 0 EDABRO Cc1cc(N)cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)[nH+]1 ZINC000257315106 244501078 /nfs/dbraw/zinc/50/10/78/244501078.db2.gz UZXWHIOFVXHGLE-OAHLLOKOSA-N 1 0 325.434 1.618 40 0 EDABRO CCNc1nc(C)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)s1 ZINC000257335797 244561382 /nfs/dbraw/zinc/56/13/82/244561382.db2.gz YLXVZOGHARFBTM-INIZCTEOSA-N 1 0 340.493 1.802 40 0 EDABRO COCCn1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019576020 212045238 /nfs/dbraw/zinc/04/52/38/212045238.db2.gz MHMTYEXTJXUBBW-RYQLBKOJSA-N 1 0 343.471 1.927 40 0 EDABRO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](C3CCOCC3)C2)C1)c1cnccn1 ZINC000096206202 284210076 /nfs/dbraw/zinc/21/00/76/284210076.db2.gz MFEHZKQERVTFKO-KBXCAEBGSA-N 1 0 346.431 1.009 40 0 EDABRO COc1ccc(-c2ccc(=O)n(CC3CC[NH2+]CC3)n2)cc1OC ZINC000012144716 211304911 /nfs/dbraw/zinc/30/49/11/211304911.db2.gz UGKQUBMAYXURHK-UHFFFAOYSA-N 1 0 329.400 1.927 40 0 EDABRO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cccn2C)C1 ZINC000096188317 279384178 /nfs/dbraw/zinc/38/41/78/279384178.db2.gz SINXPDJCGMZVTQ-HNNXBMFYSA-N 1 0 329.448 1.834 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC000096040133 282057295 /nfs/dbraw/zinc/05/72/95/282057295.db2.gz IVUZTXOXRJTESO-HKUYNNGSSA-N 1 0 347.459 1.558 40 0 EDABRO Cc1ccc(C(=O)NCC[NH+](C)C)cc1N1CCCCS1(=O)=O ZINC000005439515 440955186 /nfs/dbraw/zinc/95/51/86/440955186.db2.gz HUECBIQBOMNWEM-UHFFFAOYSA-N 1 0 339.461 1.216 40 0 EDABRO CC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OCC)c1 ZINC000008227123 441086581 /nfs/dbraw/zinc/08/65/81/441086581.db2.gz SDAFYFNJUVBKFG-UHFFFAOYSA-N 1 0 331.210 1.821 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000072367473 441230950 /nfs/dbraw/zinc/23/09/50/441230950.db2.gz XEMWAYBARNRLCG-UHFFFAOYSA-N 1 0 336.436 1.105 40 0 EDABRO Cc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)cc1 ZINC000019210359 441255585 /nfs/dbraw/zinc/25/55/85/441255585.db2.gz ASPPRMSKOPABNM-UHFFFAOYSA-N 1 0 340.427 1.473 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCO[C@@H]21 ZINC000108526426 441459684 /nfs/dbraw/zinc/45/96/84/441459684.db2.gz ZEXDUBKGZXQDPA-RCCFBDPRSA-N 1 0 338.411 1.382 40 0 EDABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C=O)CC3)CC2)cc1 ZINC000039749774 441619411 /nfs/dbraw/zinc/61/94/11/441619411.db2.gz XFRBMBXEKNMRKY-UHFFFAOYSA-N 1 0 329.444 1.508 40 0 EDABRO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC000096054150 442001210 /nfs/dbraw/zinc/00/12/10/442001210.db2.gz MJWIEOJOQQOGBV-HUUCEWRRSA-N 1 0 335.473 1.964 40 0 EDABRO O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CC[N@H+](CC1CCCCC1)C2 ZINC000096038723 441985757 /nfs/dbraw/zinc/98/57/57/441985757.db2.gz HHZXSLIFJCGQLY-IEBWSBKVSA-N 1 0 336.476 1.907 40 0 EDABRO CCCS(=O)(=O)N1CC[C@H]2OCCC[C@]2(COCC[NH+](C)C)C1 ZINC000096039568 441986005 /nfs/dbraw/zinc/98/60/05/441986005.db2.gz FTYKWMFKAYQFIB-HZPDHXFCSA-N 1 0 348.509 1.176 40 0 EDABRO O=C(COC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2)N1CCCC1 ZINC000096039968 441987457 /nfs/dbraw/zinc/98/74/57/441987457.db2.gz OWTXZAFORVWWQQ-HKUYNNGSSA-N 1 0 336.476 1.907 40 0 EDABRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)O1)N1CCCCO1 ZINC000096057401 442005155 /nfs/dbraw/zinc/00/51/55/442005155.db2.gz GWRVEPJDZMQLRU-ZACQAIPSSA-N 1 0 338.448 1.589 40 0 EDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(S(=O)(=O)CC)CCC2 ZINC000096055922 442002868 /nfs/dbraw/zinc/00/28/68/442002868.db2.gz KTJYNBGCKNMWIN-ZBFHGGJFSA-N 1 0 346.493 1.322 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)NCC1CC1 ZINC000096057181 442004232 /nfs/dbraw/zinc/00/42/32/442004232.db2.gz OQRHEVCAJAJEFK-KURKYZTESA-N 1 0 336.476 1.524 40 0 EDABRO C[NH+]1CCN(Cc2cn3c(n2)CN(Cc2ccccn2)CC3)CC1 ZINC000096059425 442006899 /nfs/dbraw/zinc/00/68/99/442006899.db2.gz YAWZBUQYEYWMRS-UHFFFAOYSA-N 1 0 326.448 1.041 40 0 EDABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCOC2)n1 ZINC000096064737 442012938 /nfs/dbraw/zinc/01/29/38/442012938.db2.gz FGVIAPFNXRVEDB-KBAYOESNSA-N 1 0 329.444 1.992 40 0 EDABRO Cc1cnc(C(=O)N2CCc3ncc(C[N@@H+](C)C(C)C)n3CC2)cn1 ZINC000096067886 442016556 /nfs/dbraw/zinc/01/65/56/442016556.db2.gz CHXUHRODOUEZGZ-UHFFFAOYSA-N 1 0 342.447 1.520 40 0 EDABRO O=C(Cc1ccccn1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCCC1 ZINC000096081804 442023630 /nfs/dbraw/zinc/02/36/30/442023630.db2.gz GPIJWAYZAFACNO-MSOLQXFVSA-N 1 0 329.444 1.726 40 0 EDABRO C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccco1 ZINC000096087589 442025302 /nfs/dbraw/zinc/02/53/02/442025302.db2.gz WFHNWMWNGXDMQJ-OAHLLOKOSA-N 1 0 329.448 1.800 40 0 EDABRO O=S(=O)(c1ccccc1)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096090645 442025461 /nfs/dbraw/zinc/02/54/61/442025461.db2.gz XETPJFNCRYBGDU-IRXDYDNUSA-N 1 0 343.452 1.834 40 0 EDABRO C[NH+](C)C[C@]12COC[C@H]1CN(S(=O)(=O)c1ccccc1F)C2 ZINC000096108252 442031645 /nfs/dbraw/zinc/03/16/45/442031645.db2.gz QIYKYJJESWBFEY-DOMZBBRYSA-N 1 0 328.409 1.024 40 0 EDABRO CO[C@H]1CCN(C(=O)C2CCOCC2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109506 442034889 /nfs/dbraw/zinc/03/48/89/442034889.db2.gz QIEUZYVKPBJTNZ-KSZLIROESA-N 1 0 348.443 1.754 40 0 EDABRO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096110738 442036145 /nfs/dbraw/zinc/03/61/45/442036145.db2.gz IVZDLVKLCDBECW-FVQBIDKESA-N 1 0 338.473 1.975 40 0 EDABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228837 442096162 /nfs/dbraw/zinc/09/61/62/442096162.db2.gz HTHYJPODKYAFOR-SFHVURJKSA-N 1 0 335.448 1.396 40 0 EDABRO O=C([C@@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCOCC1 ZINC000096224890 442093594 /nfs/dbraw/zinc/09/35/94/442093594.db2.gz PHIIIRDUAZJLNS-SFHVURJKSA-N 1 0 344.455 1.917 40 0 EDABRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000096184315 442057163 /nfs/dbraw/zinc/05/71/63/442057163.db2.gz BRMNAQXVWFWGNT-QWHCGFSZSA-N 1 0 329.491 1.147 40 0 EDABRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(C(=O)Cc2ccccn2)C1 ZINC000096188286 442066034 /nfs/dbraw/zinc/06/60/34/442066034.db2.gz QLWIABBYEYOZPF-MRXNPFEDSA-N 1 0 341.459 1.821 40 0 EDABRO O=C(C[C@@H]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@H]2O1)NCc1cccnc1 ZINC000096206155 442079452 /nfs/dbraw/zinc/07/94/52/442079452.db2.gz XWZKCMLPESPYNH-RYQLBKOJSA-N 1 0 345.443 1.356 40 0 EDABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](CC3CC3)CC[C@H]21)NCc1cccnc1 ZINC000096208374 442083005 /nfs/dbraw/zinc/08/30/05/442083005.db2.gz VCANFGFCAQOULE-KURKYZTESA-N 1 0 329.444 1.835 40 0 EDABRO COCCN1CC2(CC[NH+](Cc3ccoc3)CC2)[C@H](COC)C1=O ZINC000096209108 442085064 /nfs/dbraw/zinc/08/50/64/442085064.db2.gz KVNKEOBSUFRTMC-MRXNPFEDSA-N 1 0 336.432 1.613 40 0 EDABRO CC(C)CC[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251167 442104393 /nfs/dbraw/zinc/10/43/93/442104393.db2.gz YTPUKRCZIDTEFY-VQIMIIECSA-N 1 0 345.491 1.882 40 0 EDABRO COCC[N@@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260449 442107840 /nfs/dbraw/zinc/10/78/40/442107840.db2.gz KEHLNTHVUYRNDF-UHFFFAOYSA-N 1 0 334.464 1.651 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12)c1ccnnc1 ZINC000247370946 442850430 /nfs/dbraw/zinc/85/04/30/442850430.db2.gz HBQMUEMJNCRBEX-FVQBIDKESA-N 1 0 344.440 1.415 40 0 EDABRO COc1ccc2c3c1O[C@@]1(CO)C(OC)=CC=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000253504855 443072296 /nfs/dbraw/zinc/07/22/96/443072296.db2.gz MBCREQDZNVPNRN-UAOJZALGSA-N 1 0 341.407 1.787 40 0 biogenic,in-vitro EDABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000257303768 443138682 /nfs/dbraw/zinc/13/86/82/443138682.db2.gz SIQCBNVKAJQIGN-INIZCTEOSA-N 1 0 345.434 1.023 40 0 EDABRO Cc1cc(-c2nccn2C)nc([C@H]2CCN(C(=O)C[NH+](C)C)C2)n1 ZINC000257313149 443143268 /nfs/dbraw/zinc/14/32/68/443143268.db2.gz URFFCUKJGRBEQH-ZDUSSCGKSA-N 1 0 328.420 1.063 40 0 EDABRO Cc1c[nH]c([C@H]2CN(C(=O)CC[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257316902 443144182 /nfs/dbraw/zinc/14/41/82/443144182.db2.gz VHMLSOYRTFGAMU-MRXNPFEDSA-N 1 0 343.431 1.535 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000242548478 443211265 /nfs/dbraw/zinc/21/12/65/443211265.db2.gz LMTPREMMWVSIDW-OUCADQQQSA-N 1 0 331.821 1.359 40 0 EDABRO Cc1cnc(CNC(=O)[C@H]2C[N@H+](CC3CC3)Cc3ncn(C)c32)cn1 ZINC000306124738 444284956 /nfs/dbraw/zinc/28/49/56/444284956.db2.gz BXZDCELRFBLVJR-HNNXBMFYSA-N 1 0 340.431 1.144 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](CN4CCCC4=O)[C@H]3C2)cc1 ZINC000306130295 444285812 /nfs/dbraw/zinc/28/58/12/444285812.db2.gz JBPGEMIVJPEYFC-KBAYOESNSA-N 1 0 330.428 1.764 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306129598 444285850 /nfs/dbraw/zinc/28/58/50/444285850.db2.gz IHXBLEAINWFCRN-CHWSQXEVSA-N 1 0 331.445 1.394 40 0 EDABRO O=C(NC1CC1)c1nnc2n1CC[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306133886 444286821 /nfs/dbraw/zinc/28/68/21/444286821.db2.gz MYNXUSTZKHWTMX-SMDDNHRTSA-N 1 0 343.456 1.851 40 0 EDABRO Cn1cc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139059 444287017 /nfs/dbraw/zinc/28/70/17/444287017.db2.gz SOHKUPKMVOUKHZ-GDBMZVCRSA-N 1 0 334.427 1.983 40 0 EDABRO COc1ccc(C(=O)N2Cc3ccnn3C[C@H](C[NH+](C)C)C2)cc1 ZINC000306142432 444287909 /nfs/dbraw/zinc/28/79/09/444287909.db2.gz WZGFRZIDFYPBQU-CQSZACIVSA-N 1 0 328.416 1.726 40 0 EDABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH2+]CC2)C1 ZINC000306144845 444288361 /nfs/dbraw/zinc/28/83/61/444288361.db2.gz ZQDZLTVTKYPMQH-UHFFFAOYSA-N 1 0 345.378 1.745 40 0 EDABRO O=C(c1ccc(F)c(F)c1)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093877 448677209 /nfs/dbraw/zinc/67/72/09/448677209.db2.gz MEZZCCYKDQTTMO-ZDUSSCGKSA-N 1 0 336.382 1.884 40 0 EDABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100087 448684754 /nfs/dbraw/zinc/68/47/54/448684754.db2.gz FKZNNYVWSSBDHV-MRXNPFEDSA-N 1 0 330.494 1.678 40 0 EDABRO C[N@@H+]1C[C@@H]2COCCN2C2(CN(C(=O)Nc3ccc(F)cc3)C2)C1 ZINC000604381289 449219847 /nfs/dbraw/zinc/21/98/47/449219847.db2.gz GRIZDADJWCGMRC-OAHLLOKOSA-N 1 0 334.395 1.058 40 0 biogenic,in-vitro EDABRO COc1ccc([C@H]2N=C(SCC(=O)NC(C)(C)C)NC(=[NH2+])N2)cc1 ZINC000261526831 486018573 /nfs/dbraw/zinc/01/85/73/486018573.db2.gz MSLQMUWVDCGAKI-CYBMUJFWSA-N 1 0 349.460 1.616 40 0 EDABRO CCn1ncc(S(=O)(=O)N2CC[C@H]3[NH2+]CCCC[C@@H]3C2)c1C ZINC000257204971 535828482 /nfs/dbraw/zinc/82/84/82/535828482.db2.gz AXBRBFHYWAQEKC-ZIAGYGMSSA-N 1 0 326.466 1.364 40 0 EDABRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000053203146 214170361 /nfs/dbraw/zinc/17/03/61/214170361.db2.gz WCOBVWOSCMWKRP-QMMMGPOBSA-N 1 0 339.280 1.883 40 0 EDABRO COc1ccccc1CNC(=O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035311389 213019845 /nfs/dbraw/zinc/01/98/45/213019845.db2.gz GSZZJRJCUVDHJZ-UHFFFAOYSA-N 1 0 328.368 1.830 40 0 EDABRO CC(C)([NH3+])C(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 ZINC000072360773 216167209 /nfs/dbraw/zinc/16/72/09/216167209.db2.gz DFYMYWZCLULOJD-UHFFFAOYSA-N 1 0 328.420 1.992 40 0 EDABRO Cc1nc(Nc2nccs2)cc(C2CN(C(=O)C[NH+](C)C)C2)n1 ZINC000072382777 216183085 /nfs/dbraw/zinc/18/30/85/216183085.db2.gz LMDMQWBRTPFWFI-UHFFFAOYSA-N 1 0 332.433 1.473 40 0 EDABRO CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000000058294 209394298 /nfs/dbraw/zinc/39/42/98/209394298.db2.gz UNBRKDKAWYKMIV-SUNYJGFJSA-N 1 0 339.439 1.925 40 0 in-vitro EDABRO N[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218574463 241331947 /nfs/dbraw/zinc/33/19/47/241331947.db2.gz AMPDDUOBEOSGMI-PMPSAXMXSA-N 1 0 336.844 1.936 40 0 EDABRO OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)[C@@H]1O ZINC000020465053 212134928 /nfs/dbraw/zinc/13/49/28/212134928.db2.gz KIVRCGBCMAEGIY-LTIDMASMSA-N 1 0 340.851 1.015 40 0 biogenic,in-vitro EDABRO c1ncn(C[C@@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC000253596855 244032826 /nfs/dbraw/zinc/03/28/26/244032826.db2.gz WMPCQOOXUXPMFM-ZWKOTPCHSA-N 1 0 328.416 1.728 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2nccn2C(C)C)c1 ZINC000257246185 244257616 /nfs/dbraw/zinc/25/76/16/244257616.db2.gz ISYBOUHHAXQQKY-KRWDZBQOSA-N 1 0 341.459 1.970 40 0 EDABRO CN(CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257238495 244234400 /nfs/dbraw/zinc/23/44/00/244234400.db2.gz HLFKUOHSIYOSLP-YRXWBPOGSA-N 1 0 345.418 1.603 40 0 EDABRO CNC(=O)[C@@H]1CN(CCc2ccccc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257240955 244240713 /nfs/dbraw/zinc/24/07/13/244240713.db2.gz HVWNAMGHZHPZII-GOSISDBHSA-N 1 0 345.487 1.388 40 0 EDABRO Cc1nc(CC2CC[NH+](CC3(O)CCOCC3)CC2)cc(N(C)C)n1 ZINC000257251897 244270746 /nfs/dbraw/zinc/27/07/46/244270746.db2.gz JSTOKKHPJXVAHA-UHFFFAOYSA-N 1 0 348.491 1.647 40 0 EDABRO O=C(c1cccc(=O)[nH]1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257274898 244389475 /nfs/dbraw/zinc/38/94/75/244389475.db2.gz NNCVCHNZLXARAC-HNNXBMFYSA-N 1 0 341.358 1.095 40 0 EDABRO O=C(Cc1ccccc1F)N1CC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019348056 212019363 /nfs/dbraw/zinc/01/93/63/212019363.db2.gz VWXCMDUXBKYSDY-AWEZNQCLSA-N 1 0 340.402 1.820 40 0 EDABRO O=C(Cc1cccc(F)c1)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019293737 212012664 /nfs/dbraw/zinc/01/26/64/212012664.db2.gz CEXUBEKSDKBBPH-CQSZACIVSA-N 1 0 340.402 1.820 40 0 EDABRO CC(C)N(C[C@H]1CCN(C(=O)C[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079412476 217221489 /nfs/dbraw/zinc/22/14/89/217221489.db2.gz GOBBSBMYSILXSX-INIZCTEOSA-N 1 0 333.432 1.841 40 0 EDABRO O=C(c1ccco1)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096202049 296267192 /nfs/dbraw/zinc/26/71/92/296267192.db2.gz CTNMJSPVXWQKLO-SFHVURJKSA-N 1 0 334.416 1.623 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC000012145856 211306585 /nfs/dbraw/zinc/30/65/85/211306585.db2.gz FAMJQSKROCJSSH-UHFFFAOYSA-N 1 0 341.415 1.051 40 0 EDABRO CO[C@@H]1C=C[C@]23c4cc5c(cc4CO[C@]2(O)C[N@@H+](C)[C@H]3C1)OCO5 ZINC000005004364 210358854 /nfs/dbraw/zinc/35/88/54/210358854.db2.gz YLWAQARRNQVEHD-QRVDHSFSSA-N 1 0 331.368 1.161 40 0 biogenic,in-vitro EDABRO Cn1cc([C@@H]2CN(C(=O)NC3CC3)CC[C@@H]2[NH+]2CCCCC2)cn1 ZINC000306144509 257925951 /nfs/dbraw/zinc/92/59/51/257925951.db2.gz ZHIQRENGAYCLMD-IRXDYDNUSA-N 1 0 331.464 1.936 40 0 EDABRO Cc1ccc(N2CC[C@H]3OCCC[C@@]3(COCC[NH+](C)C)C2)nn1 ZINC000107711547 292139143 /nfs/dbraw/zinc/13/91/43/292139143.db2.gz OMHCDEXDTBZELL-AEFFLSMTSA-N 1 0 334.464 1.739 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2([NH3+])CO)cc1 ZINC000218561084 274756064 /nfs/dbraw/zinc/75/60/64/274756064.db2.gz QHWBIMUMVFPTSP-ZACQAIPSSA-N 1 0 335.400 1.764 40 0 EDABRO CN(C)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257241296 289259429 /nfs/dbraw/zinc/25/94/29/289259429.db2.gz HXNICQOXDXSYKW-ULQDDVLXSA-N 1 0 337.489 1.793 40 0 EDABRO Cc1ccc(-c2ccc(=O)n(CC3(O)C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000013227132 441156198 /nfs/dbraw/zinc/15/61/98/441156198.db2.gz XHRYOEMJAMKVKW-MCPYQZEQSA-N 1 0 325.412 1.864 40 0 EDABRO O=S(=O)(c1cncc(Cl)c1N1CC[NH2+]CC1)N1CCCCC1 ZINC000072210761 441207641 /nfs/dbraw/zinc/20/76/41/441207641.db2.gz GDZLHZGJJLGKLW-UHFFFAOYSA-N 1 0 344.868 1.319 40 0 EDABRO CN(CC[NH+]1CCCCC1)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000019288469 441254926 /nfs/dbraw/zinc/25/49/26/441254926.db2.gz PGOMZCRGQGLENB-UHFFFAOYSA-N 1 0 342.443 1.420 40 0 EDABRO CC(C)N1C[C@@]2(CO[C@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000107275436 441406873 /nfs/dbraw/zinc/40/68/73/441406873.db2.gz WMXIOYAYYSNURR-HKUYNNGSSA-N 1 0 331.460 1.620 40 0 EDABRO Fc1ccc(-n2ncc3c2ncnc3NCCCN2CC[NH2+]C2)cc1 ZINC000027795915 441414840 /nfs/dbraw/zinc/41/48/40/441414840.db2.gz MJAWGWDNLAROLD-UHFFFAOYSA-N 1 0 341.394 1.619 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)cn1 ZINC000096048699 441996155 /nfs/dbraw/zinc/99/61/55/441996155.db2.gz VLYMXBCAYPVIPG-QGZVFWFLSA-N 1 0 326.404 1.229 40 0 EDABRO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000096049484 441997833 /nfs/dbraw/zinc/99/78/33/441997833.db2.gz AAPMMTTZKFNIQT-SFHVURJKSA-N 1 0 335.448 1.248 40 0 EDABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)cc1 ZINC000096054432 442000854 /nfs/dbraw/zinc/00/08/54/442000854.db2.gz KJQMXZFXODZPBG-SJORKVTESA-N 1 0 326.400 1.575 40 0 EDABRO c1ccc(CN2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)nc1 ZINC000096052342 442001599 /nfs/dbraw/zinc/00/15/99/442001599.db2.gz SNDXCMOLZYGYGD-RTBURBONSA-N 1 0 331.460 1.927 40 0 EDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCc4nccn4C)C[C@H]32)o1 ZINC000096055604 442003121 /nfs/dbraw/zinc/00/31/21/442003121.db2.gz XIEDALRHUGEIIA-OAGGEKHMSA-N 1 0 344.415 1.370 40 0 EDABRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cn1 ZINC000096055177 442003509 /nfs/dbraw/zinc/00/35/09/442003509.db2.gz JMUSMSCRIPKWPQ-RTBURBONSA-N 1 0 341.459 1.538 40 0 EDABRO Cc1cccc(CN2CCc3c(n[nH]c3C[NH2+]C3CCOCC3)C2)n1 ZINC000096084114 442024688 /nfs/dbraw/zinc/02/46/88/442024688.db2.gz NIBPCZHJRZEOEA-UHFFFAOYSA-N 1 0 341.459 1.940 40 0 EDABRO CO[C@H]1CCN(S(=O)(=O)C2CC2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109505 442035060 /nfs/dbraw/zinc/03/50/60/442035060.db2.gz BGNFOPFBSJEFJJ-XHSDSOJGSA-N 1 0 340.445 1.293 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)ccn1)CC[C@@H]2OC ZINC000096111067 442035932 /nfs/dbraw/zinc/03/59/32/442035932.db2.gz LITFWIMKQFIGEQ-UAGQMJEPSA-N 1 0 333.432 1.198 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)cn1 ZINC000096224925 442094170 /nfs/dbraw/zinc/09/41/70/442094170.db2.gz JDLMPKMCJSIIOC-KRWDZBQOSA-N 1 0 346.475 1.804 40 0 EDABRO O=C1COC2(CC[NH+](Cc3ccoc3)CC2)CN1c1cncnc1 ZINC000096159139 442049570 /nfs/dbraw/zinc/04/95/70/442049570.db2.gz IKGANXZQTMMFEI-UHFFFAOYSA-N 1 0 328.372 1.468 40 0 EDABRO C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1ccsc1)C2 ZINC000096189643 442067858 /nfs/dbraw/zinc/06/78/58/442067858.db2.gz MMGBCCHEUVZPLZ-OAHLLOKOSA-N 1 0 345.468 1.759 40 0 EDABRO O=C(c1ccc[nH]1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096197570 442071605 /nfs/dbraw/zinc/07/16/05/442071605.db2.gz HAOQAWYTQWPJLS-UHFFFAOYSA-N 1 0 341.415 1.213 40 0 EDABRO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)O1 ZINC000096207652 442082102 /nfs/dbraw/zinc/08/21/02/442082102.db2.gz DMLCOHBXYHMFCH-SJLPKXTDSA-N 1 0 332.448 1.866 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)cn1 ZINC000096217266 442087891 /nfs/dbraw/zinc/08/78/91/442087891.db2.gz ATJHHEWOCKCQFW-IBGZPJMESA-N 1 0 339.443 1.943 40 0 EDABRO CS(=O)(=O)N[C@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096217018 442088404 /nfs/dbraw/zinc/08/84/04/442088404.db2.gz YKLXSWAQGBZCOV-AWEZNQCLSA-N 1 0 344.502 1.668 40 0 EDABRO [NH3+]C1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)CC1 ZINC000096530674 442146523 /nfs/dbraw/zinc/14/65/23/442146523.db2.gz UUHIYOOBPNXXEE-UHFFFAOYSA-N 1 0 342.378 1.006 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000096239193 442098081 /nfs/dbraw/zinc/09/80/81/442098081.db2.gz CIIIFVSMZJJERH-KRWDZBQOSA-N 1 0 327.388 1.710 40 0 EDABRO O=C(NCc1cccnc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCCC1 ZINC000096248708 442101832 /nfs/dbraw/zinc/10/18/32/442101832.db2.gz ZDHCULKBYAKTKM-MSOLQXFVSA-N 1 0 344.459 1.866 40 0 EDABRO C[NH+](C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2ccnn21 ZINC000248155311 442884707 /nfs/dbraw/zinc/88/47/07/442884707.db2.gz YWGALJNHJSULDD-INIZCTEOSA-N 1 0 348.472 1.405 40 0 EDABRO O=C(c1cc[nH]n1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257312506 443142477 /nfs/dbraw/zinc/14/24/77/443142477.db2.gz UOHMKDXGBJEUQL-HNNXBMFYSA-N 1 0 342.390 1.498 40 0 EDABRO CO[C@H]1CN(C(=O)CC[N@H+](C)Cc2cccnc2)C[C@@]12CCCO2 ZINC000257313312 443143221 /nfs/dbraw/zinc/14/32/21/443143221.db2.gz URTYNCJRXGKRHO-WMZOPIPTSA-N 1 0 333.432 1.310 40 0 EDABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]3)CC[C@H]21 ZINC000257319769 443145861 /nfs/dbraw/zinc/14/58/61/443145861.db2.gz VTZNRWDRTDKOEA-IIAWOOMASA-N 1 0 326.400 1.675 40 0 EDABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](C)CC2)cs1 ZINC000225422910 443102108 /nfs/dbraw/zinc/10/21/08/443102108.db2.gz BAWAKEBOIICGFP-CYBMUJFWSA-N 1 0 325.478 1.667 40 0 biogenic,in-vitro EDABRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O ZINC000225508608 443109139 /nfs/dbraw/zinc/10/91/39/443109139.db2.gz ZSYCJFZCIJNTNO-ZRJCITRHSA-N 1 0 335.322 1.432 40 0 biogenic,in-vitro EDABRO Cn1cc(-c2cnc3c(N4CC[NH+](CC5CC5)CC4)nccn23)cn1 ZINC000306129407 444285451 /nfs/dbraw/zinc/28/54/51/444285451.db2.gz ICDPVKHYYLUVTM-UHFFFAOYSA-N 1 0 337.431 1.662 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)s1 ZINC000306130072 444285710 /nfs/dbraw/zinc/28/57/10/444285710.db2.gz IVUCFBVWHKSPFB-AEGPPILISA-N 1 0 344.502 1.443 40 0 EDABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306134093 444286625 /nfs/dbraw/zinc/28/66/25/444286625.db2.gz NDFFJBQZSJTZEE-ZIAGYGMSSA-N 1 0 341.415 1.458 40 0 EDABRO Cc1c(I)c(-c2ccccn2)nn1CC[NH3+] ZINC000409443319 447685447 /nfs/dbraw/zinc/68/54/47/447685447.db2.gz LDQBAKABNZPNMN-UHFFFAOYSA-N 1 0 328.157 1.817 40 0 EDABRO Cc1ccc(NC(=S)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420863 447858395 /nfs/dbraw/zinc/85/83/95/447858395.db2.gz KOPVXQYFRMXUOA-OAHLLOKOSA-N 1 0 341.502 1.448 40 0 EDABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1O ZINC000514289397 448160986 /nfs/dbraw/zinc/16/09/86/448160986.db2.gz SBDMIHQEKITHAC-SOUVJXGZSA-N 1 0 343.374 1.556 40 0 biogenic,in-vitro EDABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100619 448685610 /nfs/dbraw/zinc/68/56/10/448685610.db2.gz QGJQULHZGFFOKU-MRXNPFEDSA-N 1 0 330.494 1.534 40 0 EDABRO Cc1snnc1C(=O)N1CC[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108251 448689028 /nfs/dbraw/zinc/68/90/28/448689028.db2.gz FDGPHZPKNHCCOV-ZIAGYGMSSA-N 1 0 336.461 1.419 40 0 EDABRO O=C(C[C@@]1(COc2ccc(F)cc2)C[NH2+]CCO1)N1CCCCC1 ZINC000585274032 448718224 /nfs/dbraw/zinc/71/82/24/448718224.db2.gz YVLKNEDCTPZFJC-SFHVURJKSA-N 1 0 336.407 1.966 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@](CO)(Cc3cccc(C)c3)C2)CC1 ZINC000585275789 448720513 /nfs/dbraw/zinc/72/05/13/448720513.db2.gz AGSLBQPVNUGZQF-HXUWFJFHSA-N 1 0 346.471 1.612 40 0 EDABRO CO[C@@H]1COC[C@@H](C[NH2+]Cc2cncn2Cc2ccccc2)[C@@H]1O ZINC000585285440 448732627 /nfs/dbraw/zinc/73/26/27/448732627.db2.gz CZJMOMCDFPHDRG-NXHRZFHOSA-N 1 0 331.416 1.043 40 0 EDABRO C[N@@H+](Cc1ccccc1OC1CCCC1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291943 448736304 /nfs/dbraw/zinc/73/63/04/448736304.db2.gz TUBPQQHSYRGGBQ-SUMDDJOVSA-N 1 0 335.444 1.808 40 0 EDABRO NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000225207687 485814106 /nfs/dbraw/zinc/81/41/06/485814106.db2.gz OWLONZASXKMLDT-UHFFFAOYSA-N 1 0 338.843 1.022 40 0 EDABRO CCn1cc(C(=O)N2CCO[C@@H](c3cc(NC)cc(C)[nH+]3)C2)cn1 ZINC000257210136 536028058 /nfs/dbraw/zinc/02/80/58/536028058.db2.gz BTIBYJIUJSNPQZ-MRXNPFEDSA-N 1 0 329.404 1.862 40 0 EDABRO Cc1noc([C@H]2COC[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)n1 ZINC000097953528 219064299 /nfs/dbraw/zinc/06/42/99/219064299.db2.gz JDBGUFMDWLAKHZ-KFWWJZLASA-N 1 0 343.383 1.969 40 0 EDABRO COc1ccc([C@H](C[NH2+][C@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177480 213279857 /nfs/dbraw/zinc/27/98/57/213279857.db2.gz XOGBJUAIHYRMBL-RDJZCZTQSA-N 1 0 338.473 1.609 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(C)(c3ccnc(C)n3)CC2)CC1 ZINC000072367472 216175003 /nfs/dbraw/zinc/17/50/03/216175003.db2.gz UHCJRJLGVUMHRL-UHFFFAOYSA-N 1 0 346.475 1.512 40 0 EDABRO Cn1cncc1C[NH+]1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000257208011 244140807 /nfs/dbraw/zinc/14/08/07/244140807.db2.gz BKHLXZXVOWOCPB-KRWDZBQOSA-N 1 0 327.432 1.824 40 0 EDABRO CNC(=O)c1cc(C[C@@H]2CCC[N@@H+](C3CCOCC3)CC2)ncn1 ZINC000257211305 244150641 /nfs/dbraw/zinc/15/06/41/244150641.db2.gz BYJZHCQMPZMMBT-CQSZACIVSA-N 1 0 332.448 1.660 40 0 EDABRO CCS(=O)(=O)N1CC[C@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257220522 244181661 /nfs/dbraw/zinc/18/16/61/244181661.db2.gz DLCRFYOHFBGXIN-HNNXBMFYSA-N 1 0 330.425 1.044 40 0 EDABRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000257244909 244253233 /nfs/dbraw/zinc/25/32/33/244253233.db2.gz INIBOLFXCDMIDP-MRXNPFEDSA-N 1 0 331.464 1.129 40 0 EDABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)c1cn(C)cn1 ZINC000257254141 244276680 /nfs/dbraw/zinc/27/66/80/244276680.db2.gz KBVJZYJYIIYGEP-OPNNQBFTSA-N 1 0 348.491 1.896 40 0 EDABRO O=C(c1ccncc1)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257270616 244375979 /nfs/dbraw/zinc/37/59/79/244375979.db2.gz MUYJBFMLWFVZSQ-HXUWFJFHSA-N 1 0 337.423 1.717 40 0 EDABRO C[N@@H+]1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c2=O)C1 ZINC000019590729 212048934 /nfs/dbraw/zinc/04/89/34/212048934.db2.gz GOQYYBBXSXCCHW-OAHLLOKOSA-N 1 0 346.431 1.055 40 0 EDABRO O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529625 211399973 /nfs/dbraw/zinc/39/99/73/211399973.db2.gz FLHFCMDMRMNUGT-OVYGPGRDSA-N 1 0 347.415 1.147 40 0 biogenic,in-vitro EDABRO Cn1cccc1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196861 218664845 /nfs/dbraw/zinc/66/48/45/218664845.db2.gz NXXWBBAINDMMNT-UHFFFAOYSA-N 1 0 327.432 1.516 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)[nH+]1 ZINC000257297527 274702674 /nfs/dbraw/zinc/70/26/74/274702674.db2.gz RHQXPIJDTCEXHP-KRWDZBQOSA-N 1 0 341.415 1.768 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)OC[C@]1(C)O ZINC000257250457 277041752 /nfs/dbraw/zinc/04/17/52/277041752.db2.gz JMPFLLXZEYRPDM-RDJZCZTQSA-N 1 0 336.407 1.560 40 0 EDABRO COCCN1c2ccccc2C2(CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000096161117 277228350 /nfs/dbraw/zinc/22/83/50/277228350.db2.gz ZLFGNJWALGGWCF-OAHLLOKOSA-N 1 0 330.428 1.802 40 0 EDABRO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100729033 278178144 /nfs/dbraw/zinc/17/81/44/278178144.db2.gz MGOZMLRWYDSPIC-BVSJBKOGSA-N 1 0 329.400 1.140 40 0 EDABRO CC(C)C[NH2+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C(C)(C)C)n1 ZINC000005433910 440955036 /nfs/dbraw/zinc/95/50/36/440955036.db2.gz PYGDSRBTCQQRGL-WMHQRMGPSA-N 1 0 334.464 1.966 40 0 biogenic,in-vitro EDABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000013673626 441163335 /nfs/dbraw/zinc/16/33/35/441163335.db2.gz GGDREPWGEBJEPS-AWEZNQCLSA-N 1 0 341.477 1.136 40 0 EDABRO CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C)[C@H]1O5 ZINC000059106448 441227197 /nfs/dbraw/zinc/22/71/97/441227197.db2.gz MMYAHWMMNIFPHT-GKZIKETMSA-N 1 0 327.380 1.157 40 0 EDABRO CCc1c(COC)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000022448404 441280716 /nfs/dbraw/zinc/28/07/16/441280716.db2.gz DCDSKVPNJBTYOQ-UHFFFAOYSA-N 1 0 342.443 1.801 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 ZINC000107731207 441427976 /nfs/dbraw/zinc/42/79/76/441427976.db2.gz QDFZTUHMSIBKAD-NVXWUHKLSA-N 1 0 346.410 1.585 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@H](C(=O)NCc2ccco2)[C@H]2OCC[C@H]21 ZINC000108529681 441461002 /nfs/dbraw/zinc/46/10/02/441461002.db2.gz SYTJMJKHMLQKHE-SQWLQELKSA-N 1 0 347.440 1.950 40 0 EDABRO COCCn1cc2c(n1)[C@@H](C[NH2+]Cc1cccc(OC)c1)OCC2 ZINC000096044327 441992665 /nfs/dbraw/zinc/99/26/65/441992665.db2.gz APVVWHBSWLLIIG-QGZVFWFLSA-N 1 0 331.416 1.942 40 0 EDABRO Cn1cc(CN2CCC[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000096046979 441995266 /nfs/dbraw/zinc/99/52/66/441995266.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 1 0 328.464 1.642 40 0 EDABRO O=C(N[C@@H]1CCC12CC[NH+](CC1CCOCC1)CC2)c1cnccn1 ZINC000096051532 441999730 /nfs/dbraw/zinc/99/97/30/441999730.db2.gz KNVOOEXOFSDKMJ-QGZVFWFLSA-N 1 0 344.459 1.878 40 0 EDABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21)N1CCCCO1 ZINC000096038636 441983658 /nfs/dbraw/zinc/98/36/58/441983658.db2.gz AMGWHLRULAGPMU-MGPQQGTHSA-N 1 0 337.445 1.392 40 0 EDABRO Cc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)s1 ZINC000096061015 442007753 /nfs/dbraw/zinc/00/77/53/442007753.db2.gz BQEGBZOSFDPWIR-ZDUSSCGKSA-N 1 0 344.444 1.737 40 0 EDABRO Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096061527 442010190 /nfs/dbraw/zinc/01/01/90/442010190.db2.gz CQYMAERAISIXQP-QGZVFWFLSA-N 1 0 339.443 1.796 40 0 EDABRO Cn1cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cn1 ZINC000096063783 442011150 /nfs/dbraw/zinc/01/11/50/442011150.db2.gz JEAWTBIGGOMFOZ-ZWKOTPCHSA-N 1 0 327.432 1.290 40 0 EDABRO Cc1nc(CO[C@@H]2CO[C@@]3(C2)CCC[N@@H+](C[C@@H](C)O)C3)cs1 ZINC000096073619 442019956 /nfs/dbraw/zinc/01/99/56/442019956.db2.gz MLTMFYUSEWZAMG-UHOFOFEASA-N 1 0 326.462 1.972 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(C[C@@H](OCC3CCOCC3)CO2)CC1 ZINC000096106701 442030002 /nfs/dbraw/zinc/03/00/02/442030002.db2.gz JVGRRTFJBDVEKX-MRXNPFEDSA-N 1 0 340.464 1.141 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cn1 ZINC000096108765 442033650 /nfs/dbraw/zinc/03/36/50/442033650.db2.gz MOMAHOLDUYGIES-QZTJIDSGSA-N 1 0 335.448 1.312 40 0 EDABRO CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)CN(C)C(=O)C1 ZINC000096113470 442037320 /nfs/dbraw/zinc/03/73/20/442037320.db2.gz ZKRRVVDMRRFSQS-IAGOWNOFSA-N 1 0 346.475 1.619 40 0 biogenic,in-vitro EDABRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096223438 442093088 /nfs/dbraw/zinc/09/30/88/442093088.db2.gz ZALLUBJAVLKOLJ-FUHWJXTLSA-N 1 0 342.447 1.470 40 0 EDABRO Cc1nc[nH]c1C[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096224786 442093232 /nfs/dbraw/zinc/09/32/32/442093232.db2.gz XTWZGPXNTUDTHM-AWEZNQCLSA-N 1 0 328.420 1.744 40 0 EDABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](CC3CCOCC3)CC[C@H]21)c1ccco1 ZINC000096185320 442060095 /nfs/dbraw/zinc/06/00/95/442060095.db2.gz XICQIHYFXMCTPV-NUJGCVRESA-N 1 0 348.443 1.773 40 0 EDABRO CC[NH+](CC)Cc1cn2c(n1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000096197188 442069937 /nfs/dbraw/zinc/06/99/37/442069937.db2.gz SLUZULCWCCIATC-UHFFFAOYSA-N 1 0 348.472 1.929 40 0 EDABRO O=C1C[C@H](c2cccnc2)C2(CCN(CC[NH+]3CCCC3)CC2)N1 ZINC000096199742 442074297 /nfs/dbraw/zinc/07/42/97/442074297.db2.gz UAVGVLNVZHPRNY-QGZVFWFLSA-N 1 0 328.460 1.616 40 0 EDABRO Cc1cnc(C(=O)N2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)cn1 ZINC000096201063 442074963 /nfs/dbraw/zinc/07/49/63/442074963.db2.gz ZAIPSWUTKYXOBS-UHFFFAOYSA-N 1 0 328.420 1.478 40 0 EDABRO COC[C@H]1C(=O)NCC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096207462 442081477 /nfs/dbraw/zinc/08/14/77/442081477.db2.gz AUOPSLWWKHKSKL-AWEZNQCLSA-N 1 0 332.400 1.390 40 0 EDABRO Cc1cc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)no1 ZINC000096215115 442086009 /nfs/dbraw/zinc/08/60/09/442086009.db2.gz YFMSRSVBACLJEP-RDTXWAMCSA-N 1 0 342.399 1.395 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)n1 ZINC000096216926 442088060 /nfs/dbraw/zinc/08/80/60/442088060.db2.gz LHTIEXLTCVEBKO-OWCLPIDISA-N 1 0 339.399 1.266 40 0 EDABRO CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@]2(CCCC(=O)N2)C1 ZINC000096238346 442098134 /nfs/dbraw/zinc/09/81/34/442098134.db2.gz KGFOLQTXAUYAPS-SFHVURJKSA-N 1 0 330.432 1.183 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)cn1 ZINC000096249436 442102330 /nfs/dbraw/zinc/10/23/30/442102330.db2.gz OVWWKDRAUJBMEU-ZWKOTPCHSA-N 1 0 327.432 1.685 40 0 EDABRO CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096263046 442108618 /nfs/dbraw/zinc/10/86/18/442108618.db2.gz FMEHSOQUZWBAAO-INIZCTEOSA-N 1 0 340.427 1.519 40 0 EDABRO Cn1cccc1C(=O)NC[C@@H]1Cn2nccc2C[N@H+](CC2CC2)C1 ZINC000248148902 442884100 /nfs/dbraw/zinc/88/41/00/442884100.db2.gz SSTPWTVBJIACKH-HNNXBMFYSA-N 1 0 327.432 1.493 40 0 EDABRO C[NH+]1CCN(CCCNC(=O)COc2cccc3ccccc32)CC1 ZINC000195004517 442975519 /nfs/dbraw/zinc/97/55/19/442975519.db2.gz PMHSEBAAEDEPER-UHFFFAOYSA-N 1 0 341.455 1.972 40 0 EDABRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1Cl ZINC000224359265 443097578 /nfs/dbraw/zinc/09/75/78/443097578.db2.gz SHZNGLGNIDZUGF-UHFFFAOYSA-N 1 0 334.825 1.357 40 0 EDABRO C[N@H+](CCC(=O)N1CCO[C@H](c2ccncc2)C1)Cc1cccnc1 ZINC000257301921 443137463 /nfs/dbraw/zinc/13/74/63/443137463.db2.gz SAOKWBUBIHQXGP-SFHVURJKSA-N 1 0 340.427 1.899 40 0 EDABRO COc1ccc(C)cc1CC(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257308017 443140769 /nfs/dbraw/zinc/14/07/69/443140769.db2.gz TVCMCBVOGSCQSZ-IBGZPJMESA-N 1 0 332.444 1.605 40 0 EDABRO CNC(=O)[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+](C)C1 ZINC000257324305 443147844 /nfs/dbraw/zinc/14/78/44/443147844.db2.gz WOCBNYWARMMRGC-MRXNPFEDSA-N 1 0 327.432 1.186 40 0 EDABRO C[N@@H+]1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000257280842 443128284 /nfs/dbraw/zinc/12/82/84/443128284.db2.gz OMQFXLVFCFAJRG-QGZVFWFLSA-N 1 0 337.489 1.399 40 0 EDABRO Cn1nc(N)c2ccc([C@H]3CCC[N@H+](CC4(O)CCOCC4)C3)nc21 ZINC000257338999 443153830 /nfs/dbraw/zinc/15/38/30/443153830.db2.gz YZUXZSAZKDFCFO-ZDUSSCGKSA-N 1 0 345.447 1.271 40 0 EDABRO CCn1nccc1/C=C/C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000245289671 443220060 /nfs/dbraw/zinc/22/00/60/443220060.db2.gz DJFCRFFWDDSKIX-VNKQVBPSSA-N 1 0 346.475 1.922 40 0 EDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000298154260 443705719 /nfs/dbraw/zinc/70/57/19/443705719.db2.gz ZACCELQOVPXZAK-OAHLLOKOSA-N 1 0 342.443 1.427 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C2 ZINC000306131704 444286172 /nfs/dbraw/zinc/28/61/72/444286172.db2.gz KNHVCEJYACAJCD-HZPDHXFCSA-N 1 0 339.443 1.721 40 0 EDABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306134090 444286758 /nfs/dbraw/zinc/28/67/58/444286758.db2.gz NDFFJBQZSJTZEE-KBPBESRZSA-N 1 0 341.415 1.458 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000409442262 447686068 /nfs/dbraw/zinc/68/60/68/447686068.db2.gz UMCBXWKOQBWHOM-NSHDSACASA-N 1 0 326.356 1.203 40 0 EDABRO C[N@@H+]1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100503 448685038 /nfs/dbraw/zinc/68/50/38/448685038.db2.gz LMMPIYONSLUNOC-IBGZPJMESA-N 1 0 329.444 1.893 40 0 EDABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101751 448685578 /nfs/dbraw/zinc/68/55/78/448685578.db2.gz DOIXCGOBUMKPNL-QGZVFWFLSA-N 1 0 329.379 1.717 40 0 EDABRO C[NH+](C)CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12 ZINC000096184998 282109634 /nfs/dbraw/zinc/10/96/34/282109634.db2.gz DWLKQMQHJXWGEI-JQHSSLGASA-N 1 0 343.427 1.586 40 0 EDABRO C[NH+]1CCN(CCNC(=O)c2ccccc2Br)CC1 ZINC000022859243 212328783 /nfs/dbraw/zinc/32/87/83/212328783.db2.gz JNJVEWYPBIIPJE-UHFFFAOYSA-N 1 0 326.238 1.426 40 0 EDABRO c1csc(C[NH2+][C@H]2CN3CCOC[C@H]3[C@@H]2OCc2ccccn2)c1 ZINC000253595830 244029452 /nfs/dbraw/zinc/02/94/52/244029452.db2.gz JKSLCDSVADZBPM-OKZBNKHCSA-N 1 0 345.468 1.901 40 0 EDABRO O=C(c1cc2c([nH]c1=O)CCCC2)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257212132 244153352 /nfs/dbraw/zinc/15/33/52/244153352.db2.gz CCBBVAXLOJQCKN-LJQANCHMSA-N 1 0 345.443 1.339 40 0 EDABRO O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257215667 244167595 /nfs/dbraw/zinc/16/75/95/244167595.db2.gz CRDMKYKCQYQNGD-LJQANCHMSA-N 1 0 342.395 1.466 40 0 EDABRO CNc1cc(C)[nH+]c([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000257229485 244206657 /nfs/dbraw/zinc/20/66/57/244206657.db2.gz FYHKINDRHHYHSF-LBPRGKRZSA-N 1 0 335.433 1.343 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(Cc3ncccn3)CC2)CC1 ZINC000257258989 244289762 /nfs/dbraw/zinc/28/97/62/244289762.db2.gz KWJNRRJKJNIOMW-UHFFFAOYSA-N 1 0 332.448 1.105 40 0 EDABRO C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000019749776 212062276 /nfs/dbraw/zinc/06/22/76/212062276.db2.gz BUZAOXVWXWVMHK-KRWDZBQOSA-N 1 0 349.450 1.817 40 0 EDABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000019747641 212061643 /nfs/dbraw/zinc/06/16/43/212061643.db2.gz QHAXPAJSIALLLK-QGZVFWFLSA-N 1 0 345.443 1.584 40 0 EDABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019448208 212028580 /nfs/dbraw/zinc/02/85/80/212028580.db2.gz MIDRLMPMCGXYRW-HNNXBMFYSA-N 1 0 330.432 1.610 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292008 212011991 /nfs/dbraw/zinc/01/19/91/212011991.db2.gz SQZYSYGLQHNKOE-HNNXBMFYSA-N 1 0 344.459 1.381 40 0 EDABRO Cc1ccc2occ(CN3C[C@@H]4C[C@@H](O)C[N@H+]4C[C@H]3C)c(=O)c2c1 ZINC000019219824 212005617 /nfs/dbraw/zinc/00/56/17/212005617.db2.gz DJUKZDXNQNBIMR-VNQPRFMTSA-N 1 0 328.412 1.741 40 0 EDABRO CN1CCC(CNC(=O)C2(c3ccccc3F)CC2)([NH+](C)C)CC1 ZINC000012192652 211316361 /nfs/dbraw/zinc/31/63/61/211316361.db2.gz JHPRBFYSILTWOU-UHFFFAOYSA-N 1 0 333.451 2.000 40 0 EDABRO CCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000012116391 211295758 /nfs/dbraw/zinc/29/57/58/211295758.db2.gz BJQFTMHDJVQKCY-UHFFFAOYSA-N 1 0 343.475 1.950 40 0 EDABRO O=C(c1ccco1)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052031 218542572 /nfs/dbraw/zinc/54/25/72/218542572.db2.gz BNAFWLPEHYKZNV-QAPCUYQASA-N 1 0 334.416 1.623 40 0 EDABRO Cn1cnc(C(=O)N2CCC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096228406 218705321 /nfs/dbraw/zinc/70/53/21/218705321.db2.gz BRGPTFBYZZANJU-YJBOKZPZSA-N 1 0 332.448 1.527 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1([NH3+])CO ZINC000242614916 257684000 /nfs/dbraw/zinc/68/40/00/257684000.db2.gz PLZZNICIVUHIIE-IJLUTSLNSA-N 1 0 334.235 1.039 40 0 EDABRO CC(C)N(C(=O)C[NH3+])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392956 277523615 /nfs/dbraw/zinc/52/36/15/277523615.db2.gz KTBYPKYWTOUDFF-INIZCTEOSA-N 1 0 333.432 1.983 40 0 EDABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]CCCN1CCOCC1)OCO3 ZINC000013998417 441168685 /nfs/dbraw/zinc/16/86/85/441168685.db2.gz FRNBUOKYEURFHP-UHFFFAOYSA-N 1 0 345.399 1.069 40 0 EDABRO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000102753541 441170905 /nfs/dbraw/zinc/17/09/05/441170905.db2.gz DHPOEPXCIQUBMS-ZJGWCVBLSA-N 1 0 341.411 1.534 40 0 EDABRO C[C@@H]1CN(c2nccc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)C[C@H](C)O1 ZINC000019497716 441257297 /nfs/dbraw/zinc/25/72/97/441257297.db2.gz VXDSJMYLSONGSN-HLLBOEOZSA-N 1 0 331.464 1.370 40 0 EDABRO CC(=O)N[C@]12CN(C(=O)Cc3ccc(C)c(C)c3)C[C@H]1CC[N@@H+](C)C2 ZINC000019713741 441259979 /nfs/dbraw/zinc/25/99/79/441259979.db2.gz KPXNRZFEFGUARR-UYAOXDASSA-N 1 0 343.471 1.515 40 0 EDABRO Cc1nc(CN2CC[C@]3(C2)COCC[N@@H+]([C@H]2CCOC2)C3)cs1 ZINC000107781475 441429680 /nfs/dbraw/zinc/42/96/80/441429680.db2.gz DSQPXAREROMCBL-DLBZAZTESA-N 1 0 337.489 1.765 40 0 EDABRO C[NH+](C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]12 ZINC000107201761 441403465 /nfs/dbraw/zinc/40/34/65/441403465.db2.gz YPHDXHBHJWPMMQ-WQVCFCJDSA-N 1 0 342.436 1.413 40 0 EDABRO c1cc(CN2CCOC[C@@]3(C[N@H+](C[C@H]4CCOC4)CCO3)C2)ccn1 ZINC000107237445 441405090 /nfs/dbraw/zinc/40/50/90/441405090.db2.gz NIZUIXPMYNVJKN-MOPGFXCFSA-N 1 0 347.459 1.021 40 0 EDABRO O=C([C@@H]1CCC[C@@]12CC[N@H+](Cc1ccncc1)C2)N1CCOCC1 ZINC000108526286 441458824 /nfs/dbraw/zinc/45/88/24/441458824.db2.gz HZNYWWJHQOOTIH-HKUYNNGSSA-N 1 0 329.444 1.933 40 0 EDABRO Cn1nccc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108534930 441462121 /nfs/dbraw/zinc/46/21/21/441462121.db2.gz PNAMMCLSYFLJBK-SJLPKXTDSA-N 1 0 332.448 1.271 40 0 EDABRO O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000110617163 441519610 /nfs/dbraw/zinc/51/96/10/441519610.db2.gz FTBSGHCCYDCLDL-BSDSXHPESA-N 1 0 345.487 1.578 40 0 EDABRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000042645957 441762777 /nfs/dbraw/zinc/76/27/77/441762777.db2.gz DIXDDWWWDQYVMW-UHFFFAOYSA-N 1 0 346.200 1.595 40 0 EDABRO C[NH+](C)CCN1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049772 441997652 /nfs/dbraw/zinc/99/76/52/441997652.db2.gz UXOVFFIUPNLMJI-KRWDZBQOSA-N 1 0 339.505 1.213 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)N1CCCO1 ZINC000096057314 442005252 /nfs/dbraw/zinc/00/52/52/442005252.db2.gz HECIDJCIMRBWBY-ZACQAIPSSA-N 1 0 338.448 1.161 40 0 EDABRO Cn1cccc1CN1CC[N@@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096063792 442010517 /nfs/dbraw/zinc/01/05/17/442010517.db2.gz OVAHLJNPNYOFLE-RBUKOAKNSA-N 1 0 326.444 1.895 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)n1 ZINC000096072553 442018236 /nfs/dbraw/zinc/01/82/36/442018236.db2.gz MPAIKZFJXHNNOV-FUHWJXTLSA-N 1 0 326.400 1.992 40 0 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CC(=O)N1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H](C(N)=O)C1 ZINC000257213763 244161326 /nfs/dbraw/zinc/16/13/26/244161326.db2.gz CIZLCFAZMVXYCE-MRXNPFEDSA-N 1 0 326.400 1.000 40 0 EDABRO NC(=O)c1cccc(C[C@H]2COCC[N@H+](Cc3cccs3)C2)n1 ZINC000257221587 244186586 /nfs/dbraw/zinc/18/65/86/244186586.db2.gz DPTDHZWMBYZRLX-CYBMUJFWSA-N 1 0 331.441 1.933 40 0 EDABRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cc1 ZINC000257241625 244244949 /nfs/dbraw/zinc/24/49/49/244244949.db2.gz HYUVNRVYXQJREH-INIZCTEOSA-N 1 0 347.459 1.093 40 0 EDABRO Cc1cc(C)n(CC(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257275749 244392215 /nfs/dbraw/zinc/39/22/15/244392215.db2.gz NQSNEXWGHIYLKQ-INIZCTEOSA-N 1 0 343.431 1.337 40 0 EDABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)CC1 ZINC000257277448 244398916 /nfs/dbraw/zinc/39/89/16/244398916.db2.gz NYAHTTYEYUOVIC-KRWDZBQOSA-N 1 0 331.460 1.710 40 0 EDABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc(OC)c1OC ZINC000019575856 212045170 /nfs/dbraw/zinc/04/51/70/212045170.db2.gz DZDZQFGBRSXCJD-AEGPPILISA-N 1 0 336.432 1.352 40 0 EDABRO Nc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019366659 212022910 /nfs/dbraw/zinc/02/29/10/212022910.db2.gz KWFOYOLMGGNILT-GOSISDBHSA-N 1 0 341.455 1.826 40 0 EDABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286370 212010603 /nfs/dbraw/zinc/01/06/03/212010603.db2.gz XOZKNKSRFKQQPL-UONOGXRCSA-N 1 0 339.395 1.939 40 0 EDABRO Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019238285 212008770 /nfs/dbraw/zinc/00/87/70/212008770.db2.gz ITKMDYGAVAMXGU-BBRMVZONSA-N 1 0 340.431 1.552 40 0 EDABRO C[NH+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccn31)C2 ZINC000096090137 218586257 /nfs/dbraw/zinc/58/62/57/218586257.db2.gz CRZMAJAHDSODAQ-KXBFYZLASA-N 1 0 342.443 1.907 40 0 EDABRO CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000096224173 218700129 /nfs/dbraw/zinc/70/01/29/218700129.db2.gz BKCHZKXWSLVVOF-KRWDZBQOSA-N 1 0 335.473 1.651 40 0 EDABRO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CC2CC2)CC[C@@]1(C)O ZINC000514289203 257846652 /nfs/dbraw/zinc/84/66/52/257846652.db2.gz FXGNKTREBUNOMA-GBESFXJTSA-N 1 0 332.444 1.726 40 0 biogenic,in-vitro EDABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218585056 285955424 /nfs/dbraw/zinc/95/54/24/285955424.db2.gz MPSWWIWTYUUGEJ-VNHYZAJKSA-N 1 0 329.393 1.234 40 0 EDABRO CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000257332338 273900796 /nfs/dbraw/zinc/90/07/96/273900796.db2.gz XWVXRRUWDHAXKF-INIZCTEOSA-N 1 0 338.459 1.757 40 0 EDABRO COCc1c(C)onc1C(=O)N1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257232812 277269769 /nfs/dbraw/zinc/26/97/69/277269769.db2.gz GMNPIZDGFCHFNG-HNNXBMFYSA-N 1 0 346.387 1.629 40 0 EDABRO CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC000257300681 278125160 /nfs/dbraw/zinc/12/51/60/278125160.db2.gz RVHHQFGJBWDHOE-SFHVURJKSA-N 1 0 344.459 1.723 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C)[nH]c2=O)cc1 ZINC000257267409 295250188 /nfs/dbraw/zinc/25/01/88/295250188.db2.gz MHEHXOICJIQEJU-MRXNPFEDSA-N 1 0 327.384 1.891 40 0 EDABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)CC1 ZINC000044903640 440904703 /nfs/dbraw/zinc/90/47/03/440904703.db2.gz WPQMGKNWGVWUKK-UHFFFAOYSA-N 1 0 329.444 1.833 40 0 EDABRO C[NH+](C)CCCNC(=O)c1cccc(I)c1 ZINC000007771706 441067820 /nfs/dbraw/zinc/06/78/20/441067820.db2.gz YZSDXDKWWBDLOA-UHFFFAOYSA-N 1 0 332.185 1.973 40 0 EDABRO COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(C)c(Cl)c2)n1 ZINC000013634066 441162861 /nfs/dbraw/zinc/16/28/61/441162861.db2.gz RWXWRHRCSLVFQD-UHFFFAOYSA-N 1 0 349.778 1.906 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)N1CCCO1 ZINC000107713903 441427894 /nfs/dbraw/zinc/42/78/94/441427894.db2.gz NJIUAFWDLTWFRE-OIISXLGYSA-N 1 0 334.391 1.684 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108524446 441459629 /nfs/dbraw/zinc/45/96/29/441459629.db2.gz LSLYHEXSEMGNRP-UHFFFAOYSA-N 1 0 345.472 1.970 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O)Nc1ccccc1 ZINC000077265118 441744918 /nfs/dbraw/zinc/74/49/18/441744918.db2.gz WEOBDGZLMXKDSC-KURKYZTESA-N 1 0 341.411 1.726 40 0 biogenic,in-vitro EDABRO O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]21 ZINC000096043488 441992143 /nfs/dbraw/zinc/99/21/43/441992143.db2.gz OFOUQFFDUBCJNG-KZNAEPCWSA-N 1 0 348.443 1.802 40 0 EDABRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](CC1CCOCC1)C2 ZINC000096048727 441996172 /nfs/dbraw/zinc/99/61/72/441996172.db2.gz ONMPEJQXGCKNGO-GOSISDBHSA-N 1 0 330.432 1.722 40 0 EDABRO c1csc(CN2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052015 442000278 /nfs/dbraw/zinc/00/02/78/442000278.db2.gz FXBZZXVUKMYBTK-WBVHZDCISA-N 1 0 337.489 1.846 40 0 EDABRO c1ccc(CN2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096062332 442009507 /nfs/dbraw/zinc/00/95/07/442009507.db2.gz MYCPVSZKMNYZCV-LJQANCHMSA-N 1 0 331.460 1.785 40 0 EDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]21)N1CCCC1 ZINC000096058270 442006597 /nfs/dbraw/zinc/00/65/97/442006597.db2.gz TVMFDEGMCFNBHA-FGTMMUONSA-N 1 0 329.444 1.931 40 0 EDABRO C[NH+]1CCN(Cc2cnc3n2CCN(Cc2nccs2)C3)CC1 ZINC000096061796 442009838 /nfs/dbraw/zinc/00/98/38/442009838.db2.gz NHQLUZGBXHQWHH-UHFFFAOYSA-N 1 0 332.477 1.103 40 0 EDABRO C[NH+](C)CCOCc1nnn2c1CN(Cc1cccnc1)CCC2 ZINC000096084341 442024635 /nfs/dbraw/zinc/02/46/35/442024635.db2.gz GUAJSORIRGPRIM-UHFFFAOYSA-N 1 0 330.436 1.157 40 0 EDABRO O=C(c1ccsc1)N1CCOC2(CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000096158919 442047842 /nfs/dbraw/zinc/04/78/42/442047842.db2.gz BFPZCZPRCJGBNX-HNNXBMFYSA-N 1 0 336.457 1.844 40 0 EDABRO O=C([C@@H]1CCOC1)N1CCC2(CC[N@H+](Cc3nccs3)C2)CC1 ZINC000096157455 442048129 /nfs/dbraw/zinc/04/81/29/442048129.db2.gz UEZKWBHMCCCMTG-CQSZACIVSA-N 1 0 335.473 1.994 40 0 EDABRO O=C(c1cnccn1)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096182306 442056537 /nfs/dbraw/zinc/05/65/37/442056537.db2.gz JLNGQLIUKFVGRR-GASCZTMLSA-N 1 0 326.375 1.820 40 0 EDABRO CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000096189056 442067281 /nfs/dbraw/zinc/06/72/81/442067281.db2.gz ZYILWMVXNGRDQO-AWEZNQCLSA-N 1 0 348.472 1.681 40 0 EDABRO Cn1cc(C(=O)NCc2cn3c(n2)C[N@@H+](CC2CCC2)CC3)cn1 ZINC000096197451 442072229 /nfs/dbraw/zinc/07/22/29/442072229.db2.gz OJZBAZUWNLXCBA-UHFFFAOYSA-N 1 0 328.420 1.162 40 0 EDABRO Cn1cc(N2CC3(CC[NH+](Cc4cccnc4)CC3)OCC2=O)cn1 ZINC000096201450 442076223 /nfs/dbraw/zinc/07/62/23/442076223.db2.gz VQRIENSVOYXTAN-UHFFFAOYSA-N 1 0 341.415 1.213 40 0 EDABRO COc1ncccc1CN1CCOC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC000096201972 442078162 /nfs/dbraw/zinc/07/81/62/442078162.db2.gz AZXGTBBBODACFL-IBGZPJMESA-N 1 0 348.491 1.176 40 0 EDABRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)c1 ZINC000096205909 442079584 /nfs/dbraw/zinc/07/95/84/442079584.db2.gz OCJMUNOWGGGGGL-MJGOQNOKSA-N 1 0 348.443 1.533 40 0 EDABRO CN(C)C(=O)COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096206844 442080789 /nfs/dbraw/zinc/08/07/89/442080789.db2.gz FMGZQEWKVWDLJR-WBVHZDCISA-N 1 0 338.473 1.834 40 0 EDABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1)NC1CC1 ZINC000096208147 442082988 /nfs/dbraw/zinc/08/29/88/442082988.db2.gz CFVOOIPACQYPNK-JCKWVBRZSA-N 1 0 344.411 1.673 40 0 EDABRO CC(C)(C)OC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000265540626 442816553 /nfs/dbraw/zinc/81/65/53/442816553.db2.gz KPKXBGLKFPRIOJ-CRAIPNDOSA-N 1 0 336.432 1.509 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)C[NH3+])cc1 ZINC000252513926 443038902 /nfs/dbraw/zinc/03/89/02/443038902.db2.gz AXBGAARAMWESOR-BRWVUGGUSA-N 1 0 334.416 1.730 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCC[NH2+]2)n1 ZINC000218378361 443057967 /nfs/dbraw/zinc/05/79/67/443057967.db2.gz DJSCGSYDSRQPNZ-ZDUSSCGKSA-N 1 0 326.356 1.723 40 0 EDABRO O=C(CCN1C(=O)CCCC1=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253488460 443072201 /nfs/dbraw/zinc/07/22/01/443072201.db2.gz AUPZDFOUVOMPGK-HUUCEWRRSA-N 1 0 336.432 1.723 40 0 EDABRO Cn1nccc1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2C[NH2+]CC[C@H]21 ZINC000257291508 443133238 /nfs/dbraw/zinc/13/32/38/443133238.db2.gz QHHFIPGZKLXUAU-GUDVDZBRSA-N 1 0 338.455 1.957 40 0 EDABRO CNC(=O)[C@H]1CN(Cc2cccc(C)n2)CC[N@@H+](C2CCOCC2)C1 ZINC000257321579 443145738 /nfs/dbraw/zinc/14/57/38/443145738.db2.gz WCFPCDNOETXOTH-INIZCTEOSA-N 1 0 346.475 1.049 40 0 EDABRO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](Cc3ccncc3)CC1)O2 ZINC000257200606 443124237 /nfs/dbraw/zinc/12/42/37/443124237.db2.gz AEAIMMXWLVLXRR-KRWDZBQOSA-N 1 0 326.404 1.396 40 0 EDABRO C[N@@H+]1CCC[C@@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257333255 443151577 /nfs/dbraw/zinc/15/15/77/443151577.db2.gz YAVTTYCGEQQOHS-CYBMUJFWSA-N 1 0 332.404 1.792 40 0 EDABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCNC(=O)C2)CC1 ZINC000257337931 443154037 /nfs/dbraw/zinc/15/40/37/443154037.db2.gz YVBJUUQWHFHKAJ-UHFFFAOYSA-N 1 0 333.407 1.039 40 0 EDABRO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cnc(C2CC2)nc1 ZINC000257343798 443156144 /nfs/dbraw/zinc/15/61/44/443156144.db2.gz ZULUDMUTZCUUHY-BRWVUGGUSA-N 1 0 344.459 1.852 40 0 EDABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)COc3ccc(C)cc3)C2)C1 ZINC000306138668 444287186 /nfs/dbraw/zinc/28/71/86/444287186.db2.gz SDWVRUJPBBVSAG-MRXNPFEDSA-N 1 0 332.444 1.943 40 0 EDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000298133559 444425667 /nfs/dbraw/zinc/42/56/67/444425667.db2.gz IZYRAGMRXBDXCD-GFCCVEGCSA-N 1 0 335.404 1.243 40 0 EDABRO CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)[nH+]1 ZINC000329044232 444456313 /nfs/dbraw/zinc/45/63/13/444456313.db2.gz SVGVTXXYSNYNJT-UHFFFAOYSA-N 1 0 347.444 1.427 40 0 EDABRO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCCO)[nH+]1 ZINC000329006759 444443357 /nfs/dbraw/zinc/44/33/57/444443357.db2.gz LEHJBPPVGYCPGR-CYBMUJFWSA-N 1 0 328.416 1.805 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1 ZINC000514289533 448161059 /nfs/dbraw/zinc/16/10/59/448161059.db2.gz NKMKSNSKXMBMJB-WOJBJXKFSA-N 1 0 343.515 1.690 40 0 biogenic,in-vitro EDABRO CC(C)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106102 448688389 /nfs/dbraw/zinc/68/83/89/448688389.db2.gz LTQNHEYQDNRGIP-HUUCEWRRSA-N 1 0 329.448 1.149 40 0 EDABRO Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@@H]2C[NH+]2CCCC2)n1 ZINC000585094818 448677435 /nfs/dbraw/zinc/67/74/35/448677435.db2.gz NURBIRGWDZCJJM-OAHLLOKOSA-N 1 0 339.443 1.786 40 0 EDABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCCC2)C1 ZINC000585283494 448731634 /nfs/dbraw/zinc/73/16/34/448731634.db2.gz OXBWPHNCLQMUGT-PKOBYXMFSA-N 1 0 332.444 1.039 40 0 EDABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3CCOCC3)CC[C@@H]2O)c1 ZINC000585286861 448732393 /nfs/dbraw/zinc/73/23/93/448732393.db2.gz JRAQIFJMYCNQDS-PMACEKPBSA-N 1 0 349.471 1.967 40 0 EDABRO CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 ZINC000604382197 449219585 /nfs/dbraw/zinc/21/95/85/449219585.db2.gz KAXPTKQWNVHHAG-QBPKDAKJSA-N 1 0 333.476 1.890 40 0 biogenic,in-vitro EDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000257200366 536050558 /nfs/dbraw/zinc/05/05/58/536050558.db2.gz ACZHLDUMBGZHMO-HNNXBMFYSA-N 1 0 340.431 1.727 40 0 EDABRO Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C[NH3+])cc1 ZINC000218524405 564061677 /nfs/dbraw/zinc/06/16/77/564061677.db2.gz GPAMHLUBMHNDQF-FGTMMUONSA-N 1 0 330.453 1.899 40 0 EDABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)COC2CCCCC2)C1 ZINC000037238881 213136397 /nfs/dbraw/zinc/13/63/97/213136397.db2.gz DXUPJBKWHBRLDL-BBWFWOEESA-N 1 0 346.471 1.978 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072360924 216167708 /nfs/dbraw/zinc/16/77/08/216167708.db2.gz HXEMAVOCUOJFJP-LBPRGKRZSA-N 1 0 332.433 1.868 40 0 EDABRO COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000072363182 216169704 /nfs/dbraw/zinc/16/97/04/216169704.db2.gz HBHHMIREYQXWHE-CYBMUJFWSA-N 1 0 342.399 1.942 40 0 EDABRO Cn1nc(C2CN(C(=O)[C@]3(C)CCCC[N@@H+]3C)C2)c2nccnc21 ZINC000072367337 216174255 /nfs/dbraw/zinc/17/42/55/216174255.db2.gz CPASHOLSDFEXLJ-KRWDZBQOSA-N 1 0 328.420 1.164 40 0 EDABRO Cc1cccnc1Nc1cc(CC2CC[NH+](CC(N)=O)CC2)ncn1 ZINC000072383578 216183547 /nfs/dbraw/zinc/18/35/47/216183547.db2.gz BYDQPBLEEZRXDL-UHFFFAOYSA-N 1 0 340.431 1.663 40 0 EDABRO CNC(=O)c1c[nH]nc1[C@@]1(C)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000072388821 216189840 /nfs/dbraw/zinc/18/98/40/216189840.db2.gz VYIKXJXSXNODIG-KRWDZBQOSA-N 1 0 334.464 1.818 40 0 EDABRO COC(=O)[C@H]1C[C@@H](O)[C@@H]([NH+]2CCC(N(C)c3ccccc3)CC2)C1 ZINC000195535713 240990601 /nfs/dbraw/zinc/99/06/01/240990601.db2.gz MWXZCIWSPROVKE-FHLIZLRMSA-N 1 0 332.444 1.900 40 0 EDABRO [NH3+][C@@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218484577 241325921 /nfs/dbraw/zinc/32/59/21/241325921.db2.gz JKUXKKNUZIABGL-JYJNAYRXSA-N 1 0 337.828 1.970 40 0 EDABRO O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000253615443 244039033 /nfs/dbraw/zinc/03/90/33/244039033.db2.gz OJWFSXGKBVUKID-PKOBYXMFSA-N 1 0 329.444 1.933 40 0 EDABRO O=C(c1cnco1)N1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)CC1 ZINC000257199947 244116297 /nfs/dbraw/zinc/11/62/97/244116297.db2.gz ABJQGFHJVRUABB-IRXDYDNUSA-N 1 0 341.411 1.698 40 0 EDABRO CNC(=O)c1cnn2c1nccc2[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000257202247 244124799 /nfs/dbraw/zinc/12/47/99/244124799.db2.gz ALAOWWYSMNPIAV-NSHDSACASA-N 1 0 342.428 1.535 40 0 EDABRO Nc1cc(CC[C@H]2CN(C(=O)CCCn3cccn3)CCO2)cc[nH+]1 ZINC000257211880 244153409 /nfs/dbraw/zinc/15/34/09/244153409.db2.gz CAXMKJULUTWJJL-INIZCTEOSA-N 1 0 343.431 1.501 40 0 EDABRO O=C(COc1ccccc1Cl)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257227295 244204666 /nfs/dbraw/zinc/20/46/66/244204666.db2.gz FOOQKZMAQPMLEF-QGZVFWFLSA-N 1 0 338.835 1.778 40 0 EDABRO CN(C)c1cccc([C@@H]2CN(C(=O)C[NH+]3CCCCC3)CCO2)n1 ZINC000257253802 244274658 /nfs/dbraw/zinc/27/46/58/244274658.db2.gz KAIYYPJZFSXNGJ-INIZCTEOSA-N 1 0 332.448 1.533 40 0 EDABRO Nc1cc(CC[C@H]2CN(C(=O)Cn3cc(Cl)cn3)CCO2)cc[nH+]1 ZINC000257272281 244379512 /nfs/dbraw/zinc/37/95/12/244379512.db2.gz NBTZVYZJCJGNEI-AWEZNQCLSA-N 1 0 349.822 1.374 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccnc3C)CC2)OC[C@]1(C)O ZINC000257343430 244576828 /nfs/dbraw/zinc/57/68/28/244576828.db2.gz ZTAIVHVSHUSTOD-RDJZCZTQSA-N 1 0 333.432 1.124 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391478 217218368 /nfs/dbraw/zinc/21/83/68/217218368.db2.gz JWQFFRBLKNVBKQ-KBPBESRZSA-N 1 0 325.453 1.970 40 0 EDABRO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1ccccc1C ZINC000010339408 211167066 /nfs/dbraw/zinc/16/70/66/211167066.db2.gz QBSQLDIJHHESLE-GJZGRUSLSA-N 1 0 345.399 1.033 40 0 EDABRO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257254440 284763418 /nfs/dbraw/zinc/76/34/18/284763418.db2.gz KDBZWKKPZVUOSL-MRXNPFEDSA-N 1 0 334.379 1.710 40 0 EDABRO COCC(=O)N[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096220718 218697325 /nfs/dbraw/zinc/69/73/25/218697325.db2.gz RBSQOBNQXMVWLY-HNNXBMFYSA-N 1 0 338.473 1.882 40 0 EDABRO CC(C)C(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290446 257845561 /nfs/dbraw/zinc/84/55/61/257845561.db2.gz ZWYWQHNXKXUGRA-ZWKOTPCHSA-N 1 0 343.471 1.174 40 0 biogenic,in-vitro EDABRO CO[C@]12C[C@@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@@H]2O ZINC000006472695 286175248 /nfs/dbraw/zinc/17/52/48/286175248.db2.gz YAPXMAINSYHBRI-GDIGMMSISA-O 1 0 330.404 1.691 40 0 EDABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCC[NH2+]3)nc2n(C)c1=O ZINC000072354420 274885842 /nfs/dbraw/zinc/88/58/42/274885842.db2.gz ULFFTEDOELGQDV-SECBINFHSA-N 1 0 342.321 1.466 40 0 EDABRO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(S(=O)(=O)C1CC1)CC2 ZINC000096209250 277022821 /nfs/dbraw/zinc/02/28/21/277022821.db2.gz IMZVFKNPQSNGND-HNNXBMFYSA-N 1 0 342.505 1.692 40 0 EDABRO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000257293104 277038247 /nfs/dbraw/zinc/03/82/47/277038247.db2.gz QOCPVYXRZWEHJA-QGZVFWFLSA-N 1 0 345.447 1.261 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)c2csc3c2CCCC3)CC[N@H+](C)C1 ZINC000257260323 277253435 /nfs/dbraw/zinc/25/34/35/277253435.db2.gz LCHUOOHNWIKMKX-LBPRGKRZSA-N 1 0 335.473 1.377 40 0 EDABRO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1CC1(O)CCOCC1 ZINC000257300157 278125153 /nfs/dbraw/zinc/12/51/53/278125153.db2.gz RTDQJOSINKJQMC-INIZCTEOSA-N 1 0 348.447 1.100 40 0 EDABRO CN1CC[NH+](C[C@H]2Cn3ccnc3CN(Cc3ccncc3)C2)CC1 ZINC000096188533 290046920 /nfs/dbraw/zinc/04/69/20/290046920.db2.gz CIJCKZSLMIYDCY-GOSISDBHSA-N 1 0 340.475 1.158 40 0 EDABRO Cc1nc(CN2Cc3nccn3C[C@@H](C[NH+]3CCOCC3)C2)cs1 ZINC000096188497 293271913 /nfs/dbraw/zinc/27/19/13/293271913.db2.gz MNRKANROLNXJBA-HNNXBMFYSA-N 1 0 347.488 1.612 40 0 EDABRO C[C@@H](NC(=O)[C@H](O)C[NH+]1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000001275122 440840873 /nfs/dbraw/zinc/84/08/73/440840873.db2.gz LQMCJXNMRPKICH-CKEIUWERSA-N 1 0 334.416 1.178 40 0 EDABRO S=C(NC[C@@H]1CCCO1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222153 440825697 /nfs/dbraw/zinc/82/56/97/440825697.db2.gz HCDUMSCKCOIIOS-INIZCTEOSA-N 1 0 334.489 1.689 40 0 EDABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCC(N)=O ZINC000005906113 440973103 /nfs/dbraw/zinc/97/31/03/440973103.db2.gz QAWKIPUNHFJSJA-UHFFFAOYSA-N 1 0 330.812 1.463 40 0 EDABRO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+](C)Cc1ccccc1 ZINC000012601839 441137498 /nfs/dbraw/zinc/13/74/98/441137498.db2.gz HQRWBUUYVRVQNF-GBESFXJTSA-N 1 0 345.487 1.591 40 0 biogenic,in-vitro EDABRO COc1ccc(CCC(=O)NCCCN2CC[NH+](C)CC2)cc1OC ZINC000061524329 441274929 /nfs/dbraw/zinc/27/49/29/441274929.db2.gz ZTRNZOQPAYGGHV-UHFFFAOYSA-N 1 0 349.475 1.390 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)o1 ZINC000107198485 441403592 /nfs/dbraw/zinc/40/35/92/441403592.db2.gz XRRVPOJGGBDNCM-DLBZAZTESA-N 1 0 333.432 1.095 40 0 EDABRO C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@]12CCN(Cc1cccnc1)C2=O ZINC000107219599 441405154 /nfs/dbraw/zinc/40/51/54/441405154.db2.gz FHDVCRWSNLYUQN-SUMDDJOVSA-N 1 0 329.444 1.789 40 0 EDABRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1C ZINC000074966450 441482826 /nfs/dbraw/zinc/48/28/26/441482826.db2.gz XHLDRZADJGIBQU-UHFFFAOYSA-N 1 0 340.445 1.546 40 0 EDABRO CS(=O)(=O)N[C@@H]1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108527975 441460205 /nfs/dbraw/zinc/46/02/05/441460205.db2.gz URFOBTOMRFCLKW-OAHLLOKOSA-N 1 0 339.461 1.144 40 0 EDABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375323 441603722 /nfs/dbraw/zinc/60/37/22/441603722.db2.gz CUZJTCOREIJEIC-FGXLMGHOSA-N 1 0 345.374 1.365 40 0 EDABRO O=C1CO[C@H]2C[N@H+](C3CCOCC3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897191 441694318 /nfs/dbraw/zinc/69/43/18/441694318.db2.gz PHFHJSRKJNRHAU-SJORKVTESA-N 1 0 334.391 1.416 40 0 biogenic,in-vitro EDABRO CC1CCN(C(=O)[C@H]2C[C@@H]3CCN(CC[NH+]4CCCC4)C[C@H]3O2)CC1 ZINC000096042771 441991069 /nfs/dbraw/zinc/99/10/69/441991069.db2.gz JGRUGFOVNULHGV-IPMKNSEASA-N 1 0 349.519 1.820 40 0 EDABRO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096043424 441992497 /nfs/dbraw/zinc/99/24/97/441992497.db2.gz ZOUIBISNJNHIEL-BZUAXINKSA-N 1 0 338.473 1.738 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096038619 441983331 /nfs/dbraw/zinc/98/33/31/441983331.db2.gz DXTKXIKTGHJFIE-FVQBIDKESA-N 1 0 339.399 1.205 40 0 EDABRO CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056009 442002738 /nfs/dbraw/zinc/00/27/38/442002738.db2.gz QBWGHQAXJRTXIR-HKUYNNGSSA-N 1 0 345.443 1.705 40 0 EDABRO O=C(c1ccc[nH]1)N1CC[C@@H]2O[C@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096064626 442012176 /nfs/dbraw/zinc/01/21/76/442012176.db2.gz NJXFLEHGXVMNTE-SZMVWBNQSA-N 1 0 347.459 1.889 40 0 EDABRO Cc1nc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 ZINC000096069308 442017869 /nfs/dbraw/zinc/01/78/69/442017869.db2.gz PBOKEYMSLUGJSU-CYBMUJFWSA-N 1 0 331.401 1.992 40 0 EDABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC000096080841 442022544 /nfs/dbraw/zinc/02/25/44/442022544.db2.gz YWYLUHSPXKLPHH-CALCHBBNSA-N 1 0 343.452 1.834 40 0 EDABRO CO[C@H]1CCN(Cc2cnn(C)c2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109483 442034982 /nfs/dbraw/zinc/03/49/82/442034982.db2.gz LEUIHZPNVMOCQP-OTWHNJEPSA-N 1 0 341.459 1.536 40 0 EDABRO CC(=O)N1CCC([NH2+]C[C@H]2COCc3nc4cc(F)ccc4n32)CC1 ZINC000096112716 442037585 /nfs/dbraw/zinc/03/75/85/442037585.db2.gz CVLAVHIGDFASDC-HNNXBMFYSA-N 1 0 346.406 1.847 40 0 biogenic,in-vitro EDABRO O=C(NCc1ccccn1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096219442 442090638 /nfs/dbraw/zinc/09/06/38/442090638.db2.gz IRHKZQJGMZPKCE-IXDOHACOSA-N 1 0 343.452 1.906 40 0 EDABRO CN(c1ncccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3cncn3C)C2)C1 ZINC000096219782 442090867 /nfs/dbraw/zinc/09/08/67/442090867.db2.gz HSRVEPUIZZWXEP-YOEHRIQHSA-N 1 0 328.420 1.080 40 0 EDABRO O=C([C@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000096224856 442092378 /nfs/dbraw/zinc/09/23/78/442092378.db2.gz YVGUXBPMVKINTN-MJGOQNOKSA-N 1 0 345.443 1.312 40 0 EDABRO c1ccc(C[NH+]2CCC3(CC2)CN(c2ncccn2)CCO3)nc1 ZINC000096159023 442049417 /nfs/dbraw/zinc/04/94/17/442049417.db2.gz CQEILZPQKLVAHS-UHFFFAOYSA-N 1 0 325.416 1.743 40 0 EDABRO O=C(c1ccnnc1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161703 442051104 /nfs/dbraw/zinc/05/11/04/442051104.db2.gz PMDYFLUXPWAMPI-IYBDPMFKSA-N 1 0 326.375 1.820 40 0 EDABRO O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccoc2)O1 ZINC000096183661 442057890 /nfs/dbraw/zinc/05/78/90/442057890.db2.gz ZEBOTDIBSRJJHV-YESZJQIVSA-N 1 0 334.416 1.554 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cn1 ZINC000096206237 442079579 /nfs/dbraw/zinc/07/95/79/442079579.db2.gz PTCNKKTYCWBTTK-AEFFLSMTSA-N 1 0 328.416 1.480 40 0 EDABRO O=C(C[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2)NCc1cccnc1 ZINC000096206569 442080183 /nfs/dbraw/zinc/08/01/83/442080183.db2.gz QMFWQQGRQFCQIG-APWZRJJASA-N 1 0 341.411 1.830 40 0 EDABRO O=C(c1cc(C2CC2)on1)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096206327 442080524 /nfs/dbraw/zinc/08/05/24/442080524.db2.gz BQURBFZVDDUYMQ-WMLDXEAASA-N 1 0 331.416 1.735 40 0 EDABRO CN1CCN(C(=O)C[C@H]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096207268 442081359 /nfs/dbraw/zinc/08/13/59/442081359.db2.gz MBAYCLYXSCFFTD-GVDBMIGSSA-N 1 0 349.500 1.502 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 ZINC000096208472 442083646 /nfs/dbraw/zinc/08/36/46/442083646.db2.gz BDQLPTAWFDWLLR-DYVFJYSZSA-N 1 0 346.387 1.158 40 0 EDABRO O=C(Cc1ccccc1)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096228915 442096490 /nfs/dbraw/zinc/09/64/90/442096490.db2.gz VBMFBTLENCTUHN-FQEVSTJZSA-N 1 0 344.455 1.569 40 0 EDABRO Cc1noc(C)c1CN1CCC2(CC1)C(=O)NCC[N@H+]2CC(C)C ZINC000096230171 442097658 /nfs/dbraw/zinc/09/76/58/442097658.db2.gz ZRFFQRHUBQYVGT-UHFFFAOYSA-N 1 0 334.464 1.714 40 0 EDABRO O=C(COCc1nnn2c1C[N@H+](CC1CC1)CCC2)N1CCCC1 ZINC000096259005 442107614 /nfs/dbraw/zinc/10/76/14/442107614.db2.gz HNLVGFOUTULXTP-UHFFFAOYSA-N 1 0 333.436 1.033 40 0 EDABRO C[NH+](C)C[C@H]1CC[C@@]2(COCCN(Cc3ccc4c(c3)OCO4)C2)O1 ZINC000248125019 442883330 /nfs/dbraw/zinc/88/33/30/442883330.db2.gz OJPUKMKVQWLMGV-VQIMIIECSA-N 1 0 348.443 1.727 40 0 EDABRO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000257304796 443139673 /nfs/dbraw/zinc/13/96/73/443139673.db2.gz SNEQOQJFZRJKGR-INIZCTEOSA-N 1 0 343.431 1.535 40 0 EDABRO CN(C)CC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257339161 443154191 /nfs/dbraw/zinc/15/41/91/443154191.db2.gz ZALACKPMCIJWOI-INIZCTEOSA-N 1 0 335.423 1.631 40 0 EDABRO COc1ncccc1C(=O)N1CCOC[C@]2(CC[C@@H](C[NH+](C)C)O2)C1 ZINC000306141014 444287816 /nfs/dbraw/zinc/28/78/16/444287816.db2.gz VIZPACBTCWMLGO-KSSFIOAISA-N 1 0 349.431 1.042 40 0 EDABRO COCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1C)C2 ZINC000585104965 448688154 /nfs/dbraw/zinc/68/81/54/448688154.db2.gz WPDORFUJZGDTQN-LJQANCHMSA-N 1 0 332.444 1.692 40 0 EDABRO O=C(C1CC(O)C1)N1CC[N@@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000585107888 448689172 /nfs/dbraw/zinc/68/91/72/448689172.db2.gz AXPAEWNQPBUIPB-ODZFXCKXSA-N 1 0 348.418 1.398 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585269256 448716747 /nfs/dbraw/zinc/71/67/47/448716747.db2.gz MZZUZHUHSPSPJE-LJQANCHMSA-N 1 0 332.444 1.903 40 0 EDABRO C[N@@H+]1C[C@H](COCc2cccnc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093939 448677059 /nfs/dbraw/zinc/67/70/59/448677059.db2.gz RBCQQKQMKDOJIC-MRXNPFEDSA-N 1 0 327.432 1.528 40 0 EDABRO Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCCC2)n1 ZINC000585098161 448682058 /nfs/dbraw/zinc/68/20/58/448682058.db2.gz VHTNEKGKJDWMBC-MRXNPFEDSA-N 1 0 342.447 1.056 40 0 EDABRO C[C@H]1Cc2nnc(COc3cccnc3)n2CC[N@@H+]1C1CCOCC1 ZINC000585098022 448682365 /nfs/dbraw/zinc/68/23/65/448682365.db2.gz QMLHPRWOAYJMRO-AWEZNQCLSA-N 1 0 343.431 1.678 40 0 EDABRO CN(C)C(=O)C[C@]1(O)COCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000585281286 448730574 /nfs/dbraw/zinc/73/05/74/448730574.db2.gz VJZQNDVVEDYGJN-LJQANCHMSA-N 1 0 343.427 1.276 40 0 EDABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCN3CCNC3=O)[C@H]2O)c1 ZINC000585288495 448734546 /nfs/dbraw/zinc/73/45/46/448734546.db2.gz BYSFQZGUKOVCFK-GVDBMIGSSA-N 1 0 333.432 1.271 40 0 EDABRO C[NH+]1CCN(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000224990885 485812325 /nfs/dbraw/zinc/81/23/25/485812325.db2.gz XYUULNNNKDHXER-UHFFFAOYSA-N 1 0 339.867 1.861 40 0 EDABRO CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)ccn1 ZINC000257269396 534689465 /nfs/dbraw/zinc/68/94/65/534689465.db2.gz MPUMDNIQMUNHAB-BFYDXBDKSA-N 1 0 346.431 1.148 40 0 EDABRO CCCn1cc(C[NH+]2CCC3(CN(C(C)=O)[C@](C)(CO)C3)CC2)cn1 ZINC000257227799 535608213 /nfs/dbraw/zinc/60/82/13/535608213.db2.gz FQYFMGQDDBXKEN-SFHVURJKSA-N 1 0 348.491 1.879 40 0 EDABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)nc1 ZINC000257248805 536020647 /nfs/dbraw/zinc/02/06/47/536020647.db2.gz JFHAZURECWCLCV-AWEZNQCLSA-N 1 0 343.387 1.322 40 0 EDABRO CCn1cc(CN2CC3(C2)CC[C@H](C[NH+]2CCOCC2)CO3)cn1 ZINC000249700257 536050584 /nfs/dbraw/zinc/05/05/84/536050584.db2.gz XLKRLKPXTMODAW-MRXNPFEDSA-N 1 0 334.464 1.216 40 0 EDABRO C[NH+](C)CCC[NH2+][C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000054095919 214215786 /nfs/dbraw/zinc/21/57/86/214215786.db2.gz ZOKZBSKIZYSIMX-ZDUSSCGKSA-N 1 0 327.812 1.663 40 0 EDABRO CNC(=O)[C@]1(CCCc2cnccn2)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072367230 216173711 /nfs/dbraw/zinc/17/37/11/216173711.db2.gz AZMAVODXOCVWKO-GOSISDBHSA-N 1 0 342.447 1.551 40 0 EDABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)COc2ccccc2)C1 ZINC000072373908 216178255 /nfs/dbraw/zinc/17/82/55/216178255.db2.gz LVERKFVVUOGHJI-HNNXBMFYSA-N 1 0 341.415 1.466 40 0 EDABRO CN(C)C(=O)[C@]1(CCCc2ccccn2)CCCN(C(=O)C[NH3+])C1 ZINC000257218198 244173309 /nfs/dbraw/zinc/17/33/09/244173309.db2.gz DCFLJVDFDFIUHO-GOSISDBHSA-N 1 0 332.448 1.060 40 0 EDABRO CNc1cc([C@@H]2CCC[N@@H+]2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 ZINC000257245292 244255937 /nfs/dbraw/zinc/25/59/37/244255937.db2.gz IOWGDKKGRGACDN-INIZCTEOSA-N 1 0 347.463 1.337 40 0 EDABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[NH2+]C3)nc2C1 ZINC000257241420 244245929 /nfs/dbraw/zinc/24/59/29/244245929.db2.gz HXZNFBQQRCYEPV-NSHDSACASA-N 1 0 342.374 1.597 40 0 EDABRO CC(=O)N[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc3ccc(F)cc3[nH]1)CC2 ZINC000257254585 244278055 /nfs/dbraw/zinc/27/80/55/244278055.db2.gz KDTLKKDCHWGRFM-SCLBCKFNSA-N 1 0 344.390 1.247 40 0 EDABRO O=C(c1cccc2cccnc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257331222 244549783 /nfs/dbraw/zinc/54/97/83/244549783.db2.gz XRWPIMMFBFTXGK-LJQANCHMSA-N 1 0 325.412 1.908 40 0 EDABRO C[N@@H+]1CCc2c(nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c2=O)C1 ZINC000019590727 212049225 /nfs/dbraw/zinc/04/92/25/212049225.db2.gz GOQYYBBXSXCCHW-HNNXBMFYSA-N 1 0 346.431 1.055 40 0 EDABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000019371578 212022168 /nfs/dbraw/zinc/02/21/68/212022168.db2.gz ZNFDJDFYHDTIPH-MRXNPFEDSA-N 1 0 347.459 1.143 40 0 EDABRO Cn1nnc2c1CCN(C(=O)CC1CC1)[C@H]2COCC[NH+]1CCCC1 ZINC000096045314 218531287 /nfs/dbraw/zinc/53/12/87/218531287.db2.gz FYONTEMEDZBYND-INIZCTEOSA-N 1 0 347.463 1.153 40 0 EDABRO C[NH+]1CCC(CN2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cccs2)CC1 ZINC000096063852 218558535 /nfs/dbraw/zinc/55/85/35/218558535.db2.gz BTZVBIHLZWZINZ-CABCVRRESA-N 1 0 347.484 1.905 40 0 EDABRO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCC[NH+](CC)CC)C1=O ZINC000035313852 132389123 /nfs/dbraw/zinc/38/91/23/132389123.db2.gz HABUBTIJJGRQOT-INIZCTEOSA-N 1 0 347.459 1.957 40 0 EDABRO OCCN1CCN(C2=[NH+]c3cccnc3Nc3cscc32)CC1 ZINC000032072274 275047098 /nfs/dbraw/zinc/04/70/98/275047098.db2.gz WUBVRGKEYJXSGZ-UHFFFAOYSA-N 1 0 329.429 1.888 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039546 276763023 /nfs/dbraw/zinc/76/30/23/276763023.db2.gz VUDCCYSVOXEDQX-HKUYNNGSSA-N 1 0 347.459 1.671 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2cnn(C)c2)C(=O)CO3)o1 ZINC000096201449 280813016 /nfs/dbraw/zinc/81/30/16/280813016.db2.gz LIXFROWVAQOUMT-UHFFFAOYSA-N 1 0 344.415 1.720 40 0 EDABRO O=c1cc([C@H]2CCC[N@H+](CC3CCCC3)C2)nc(N2CCOCC2)[nH]1 ZINC000019291979 441256338 /nfs/dbraw/zinc/25/63/38/441256338.db2.gz QYDNTRZTFNPIKF-INIZCTEOSA-N 1 0 346.475 1.976 40 0 EDABRO O[C@@H]1C[C@@](C[NH2+]Cc2ccccn2)(COc2cccnc2)C[C@@H]1O ZINC000107430323 441416517 /nfs/dbraw/zinc/41/65/17/441416517.db2.gz UYIFLKZZNMUTOM-BCDXTJNWSA-N 1 0 329.400 1.147 40 0 biogenic,in-vitro EDABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2CCc2ccccc2)N1CCN1CCOCC1 ZINC000107198537 441403762 /nfs/dbraw/zinc/40/37/62/441403762.db2.gz OFRWNIVWSSCNIY-MOPGFXCFSA-N 1 0 343.471 1.237 40 0 EDABRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096048608 441996519 /nfs/dbraw/zinc/99/65/19/441996519.db2.gz UWONXTIFJWAIJZ-IEBWSBKVSA-N 1 0 346.475 1.963 40 0 EDABRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1 ZINC000096038964 441985248 /nfs/dbraw/zinc/98/52/48/441985248.db2.gz OGAYHBUXXIWHCF-KBAYOESNSA-N 1 0 329.444 1.630 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)cn1 ZINC000096056598 442003630 /nfs/dbraw/zinc/00/36/30/442003630.db2.gz MNXVDFOJBBULIL-IAGOWNOFSA-N 1 0 325.416 1.581 40 0 EDABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccnc2)C1)N1CCCCO1 ZINC000096057676 442004618 /nfs/dbraw/zinc/00/46/18/442004618.db2.gz CLTQXRUOCJALDF-GVDBMIGSSA-N 1 0 331.416 1.615 40 0 EDABRO C[NH+]1CCN(Cc2cn3c(n2)CN(Cc2ccncc2)CC3)CC1 ZINC000096059427 442006532 /nfs/dbraw/zinc/00/65/32/442006532.db2.gz TWRFKKPYZZDNRX-UHFFFAOYSA-N 1 0 326.448 1.041 40 0 EDABRO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]Cc1cccs1)OCC2 ZINC000096059727 442007681 /nfs/dbraw/zinc/00/76/81/442007681.db2.gz YFRCSAOJTDKCQF-CQSZACIVSA-N 1 0 334.445 1.436 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)cn1 ZINC000096061166 442008044 /nfs/dbraw/zinc/00/80/44/442008044.db2.gz BIKRWWBTWYOLKN-MRXNPFEDSA-N 1 0 332.448 1.460 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096065240 442012459 /nfs/dbraw/zinc/01/24/59/442012459.db2.gz DXTKXIKTGHJFIE-BMFZPTHFSA-N 1 0 339.399 1.205 40 0 EDABRO CN1CC[NH+](C[C@H]2Cn3ccnc3CN(Cc3ccccn3)C2)CC1 ZINC000096067023 442014715 /nfs/dbraw/zinc/01/47/15/442014715.db2.gz QOKIWLZKFCASDS-QGZVFWFLSA-N 1 0 340.475 1.158 40 0 EDABRO c1csc(C[NH2+][C@H]2CN3CCOC[C@@H]3[C@@H]2OCc2ccccn2)c1 ZINC000096068903 442017142 /nfs/dbraw/zinc/01/71/42/442017142.db2.gz JKSLCDSVADZBPM-RCCFBDPRSA-N 1 0 345.468 1.901 40 0 EDABRO Cc1nc(C[NH2+]C[C@H]2Cn3nnc(-c4ccoc4)c3CO2)cs1 ZINC000096069309 442017314 /nfs/dbraw/zinc/01/73/14/442017314.db2.gz PBOKEYMSLUGJSU-ZDUSSCGKSA-N 1 0 331.401 1.992 40 0 EDABRO COC(=O)CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3C)C[C@H]2C1 ZINC000096080938 442023338 /nfs/dbraw/zinc/02/33/38/442023338.db2.gz AFMBRHIHIKEHNO-IRXDYDNUSA-N 1 0 330.428 1.838 40 0 EDABRO O=C(Nc1cccnc1)[C@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12 ZINC000096219584 442090827 /nfs/dbraw/zinc/09/08/27/442090827.db2.gz VVHFMLDZSDPAKL-IXDOHACOSA-N 1 0 331.416 1.394 40 0 EDABRO CN(C)C(=O)CN1C(=O)CCC12CC[NH+](Cc1cccs1)CC2 ZINC000096228097 442096239 /nfs/dbraw/zinc/09/62/39/442096239.db2.gz SLBDOWMASYYEMI-UHFFFAOYSA-N 1 0 335.473 1.793 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(c2ncccn2)CCO3)cn1 ZINC000096159017 442049591 /nfs/dbraw/zinc/04/95/91/442049591.db2.gz MZVBOZMTBLHJQS-UHFFFAOYSA-N 1 0 328.420 1.082 40 0 EDABRO c1cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cc2c1OCO2 ZINC000096185805 442060696 /nfs/dbraw/zinc/06/06/96/442060696.db2.gz XGWDNMPCSWNGPP-TXPKVOOTSA-N 1 0 346.427 1.479 40 0 EDABRO CN(Cc1cncnc1)[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096186018 442061446 /nfs/dbraw/zinc/06/14/46/442061446.db2.gz VRWXGUIKOHJLGG-QRVBRYPASA-N 1 0 339.443 1.735 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@H](NC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096185845 442061851 /nfs/dbraw/zinc/06/18/51/442061851.db2.gz XHYSJRFYNCRBJM-ULQDDVLXSA-N 1 0 333.432 1.698 40 0 EDABRO CS(=O)(=O)NC[C@H]1OC[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000096187312 442063810 /nfs/dbraw/zinc/06/38/10/442063810.db2.gz FSWSNMAMJPMHDL-MRVWCRGKSA-N 1 0 330.475 1.134 40 0 EDABRO c1csc(C[NH2+]C[C@@H]2COCc3c(-c4ccoc4)nnn3C2)n1 ZINC000096199383 442072857 /nfs/dbraw/zinc/07/28/57/442072857.db2.gz CHUVVDNFDZUYQX-NSHDSACASA-N 1 0 331.401 1.931 40 0 EDABRO COCC[N@@H+]1CC[C@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096201983 442078147 /nfs/dbraw/zinc/07/81/47/442078147.db2.gz PCXQCTNZODVUKN-GOSISDBHSA-N 1 0 335.448 1.261 40 0 EDABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3CCOCC3)C2)C1 ZINC000096217505 442088245 /nfs/dbraw/zinc/08/82/45/442088245.db2.gz IMHPVTGDEHMZSQ-PKOBYXMFSA-N 1 0 336.476 1.620 40 0 EDABRO CN(C)C(=O)CN1C(=O)CCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096228096 442096478 /nfs/dbraw/zinc/09/64/78/442096478.db2.gz XAUDEEVJUDGOLE-UHFFFAOYSA-N 1 0 335.473 1.793 40 0 EDABRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2CC1CCOCC1)c1ccco1 ZINC000247507018 442858378 /nfs/dbraw/zinc/85/83/78/442858378.db2.gz RTQBRMNUMUWYSQ-JZXOWHBKSA-N 1 0 348.443 1.915 40 0 EDABRO O=C(CN1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1)N1CCCC1 ZINC000247759863 442867166 /nfs/dbraw/zinc/86/71/66/442867166.db2.gz GPOWLNQVNZLYEY-KRWDZBQOSA-N 1 0 331.464 1.348 40 0 EDABRO CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000257286873 443131470 /nfs/dbraw/zinc/13/14/70/443131470.db2.gz PNKPTMSJBUMVDP-FRFSOERESA-N 1 0 344.459 1.991 40 0 EDABRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)CC1 ZINC000257320748 443145819 /nfs/dbraw/zinc/14/58/19/443145819.db2.gz VYKOMYQULZDVBS-BRWVUGGUSA-N 1 0 334.464 1.574 40 0 EDABRO Cc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)nc(C)n1 ZINC000257217721 443124341 /nfs/dbraw/zinc/12/43/41/443124341.db2.gz DAHOBOGKJOHLSZ-IAGOWNOFSA-N 1 0 338.411 1.710 40 0 EDABRO Cc1noc(C)c1-c1cnc(C[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC000257283472 443129372 /nfs/dbraw/zinc/12/93/72/443129372.db2.gz OYMKLMXSNIUEDY-AWEZNQCLSA-N 1 0 343.431 1.701 40 0 EDABRO C[N@@H+]1C[C@H](COCc2ccncc2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093819 448675228 /nfs/dbraw/zinc/67/52/28/448675228.db2.gz HOOAWFIUEDXYEO-MRXNPFEDSA-N 1 0 327.432 1.528 40 0 EDABRO C[NH+]1CCC(C(=O)N2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000585269227 448716836 /nfs/dbraw/zinc/71/68/36/448716836.db2.gz MCYKMOZFDOEYEV-AEFFLSMTSA-N 1 0 334.435 1.919 40 0 EDABRO C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1 ZINC000585097264 448681376 /nfs/dbraw/zinc/68/13/76/448681376.db2.gz JIQSYPUPEZSKOF-OAHLLOKOSA-N 1 0 329.404 1.020 40 0 EDABRO Cc1cc(C[N@@H+]2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)n(C)n1 ZINC000585099320 448683579 /nfs/dbraw/zinc/68/35/79/448683579.db2.gz DHDRSKCCQNVWLS-QGZVFWFLSA-N 1 0 345.472 1.810 40 0 EDABRO Cc1cc(CNC(=O)[C@@H]2CC[C@@H]([N@H+](C)Cc3ccccc3)[C@H]2O)on1 ZINC000585280626 448730591 /nfs/dbraw/zinc/73/05/91/448730591.db2.gz MEUIDQGWQOWZAX-KURKYZTESA-N 1 0 343.427 1.871 40 0 EDABRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290134 448735801 /nfs/dbraw/zinc/73/58/01/448735801.db2.gz SXKJPHJOAHEESM-IVXDBISESA-N 1 0 332.444 1.972 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2([NH3+])CO)cc1 ZINC000218561257 486545384 /nfs/dbraw/zinc/54/53/84/486545384.db2.gz QHWBIMUMVFPTSP-BBWFWOEESA-N 1 0 335.400 1.764 40 0 EDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)n1 ZINC000257213267 536050454 /nfs/dbraw/zinc/05/04/54/536050454.db2.gz CGVIDDBAQCHFNS-AWEZNQCLSA-N 1 0 348.838 1.752 40 0 EDABRO O[C@H](C[NH2+]C[C@H](O)COCc1ccccc1)COCc1ccccc1 ZINC000036724574 213113647 /nfs/dbraw/zinc/11/36/47/213113647.db2.gz RDMRJMNWVLCKJA-BGYRXZFFSA-N 1 0 345.439 1.731 40 0 EDABRO NC(=O)C[NH+]1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 ZINC000072361875 216169075 /nfs/dbraw/zinc/16/90/75/216169075.db2.gz YXWMMTWDNWZLNB-UHFFFAOYSA-N 1 0 326.404 1.355 40 0 EDABRO CC(=O)NC1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000072365885 216171876 /nfs/dbraw/zinc/17/18/76/216171876.db2.gz JFAYUIDHRCBITI-QGZVFWFLSA-N 1 0 330.432 1.589 40 0 EDABRO CC(=O)N1CCC(O)(C[NH+]2CCC(Cc3cccnn3)CC2)CC1 ZINC000072367477 216174128 /nfs/dbraw/zinc/17/41/28/216174128.db2.gz DHKFRZFESRILGE-UHFFFAOYSA-N 1 0 332.448 1.105 40 0 EDABRO Cc1nc(CCC(=O)NCc2ccccn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072366969 216172687 /nfs/dbraw/zinc/17/26/87/216172687.db2.gz ZWAKPFRBJUCGSX-HNNXBMFYSA-N 1 0 339.443 1.896 40 0 EDABRO Cc1nc(CCC(=O)NCc2ccncc2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072366930 216173176 /nfs/dbraw/zinc/17/31/76/216173176.db2.gz XWHYKFBPODQRIC-INIZCTEOSA-N 1 0 325.416 1.854 40 0 EDABRO C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000072830350 216312538 /nfs/dbraw/zinc/31/25/38/216312538.db2.gz VLWUMNWWRNQWEM-HNNXBMFYSA-N 1 0 345.443 1.876 40 0 EDABRO C[NH+]1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccccc2)CC1 ZINC000022078641 212276756 /nfs/dbraw/zinc/27/67/56/212276756.db2.gz INHRXKVOVVAJIH-SDXDJHTJSA-N 1 0 339.395 1.709 40 0 EDABRO N[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058638 241293503 /nfs/dbraw/zinc/29/35/03/241293503.db2.gz PUTKWDGOBAMMIB-OWCLPIDISA-N 1 0 336.844 1.936 40 0 EDABRO [NH3+]C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218158503 241301190 /nfs/dbraw/zinc/30/11/90/241301190.db2.gz RVWGLINPBOCBGU-KBRIMQKVSA-N 1 0 331.393 1.930 40 0 EDABRO [NH3+][C@@]1(CO)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218159531 241301366 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CCc1cnc(N2CC[C@@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC000096215330 442086286 /nfs/dbraw/zinc/08/62/86/442086286.db2.gz DGPJDSVBCUPMHI-SFHVURJKSA-N 1 0 331.464 1.420 40 0 EDABRO COCCNC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3scnc3C)C[C@H]2O1 ZINC000096218768 442088921 /nfs/dbraw/zinc/08/89/21/442088921.db2.gz QUFMSSYHGLXDSA-BFHYXJOUSA-N 1 0 339.461 1.194 40 0 EDABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000096218601 442089057 /nfs/dbraw/zinc/08/90/57/442089057.db2.gz KYXOWFRJJQJEQX-TZMCWYRMSA-N 1 0 345.490 1.124 40 0 EDABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccco1)CC2 ZINC000247820771 442870006 /nfs/dbraw/zinc/87/00/06/442870006.db2.gz CZYIDIBSLJYYPC-OAHLLOKOSA-N 1 0 336.432 1.727 40 0 EDABRO CCOC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn21 ZINC000253383381 443052304 /nfs/dbraw/zinc/05/23/04/443052304.db2.gz LJJGAPREZHTPQA-HNNXBMFYSA-N 1 0 343.383 1.774 40 0 EDABRO C[C@H]1C[N@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@H]1O ZINC000253601657 443075161 /nfs/dbraw/zinc/07/51/61/443075161.db2.gz CVZZLBCUNSFKJF-MAUKXSAKSA-N 1 0 332.444 1.891 40 0 EDABRO C[NH2+]CC(=O)N1CCC2(CO[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000257289239 443132669 /nfs/dbraw/zinc/13/26/69/443132669.db2.gz PXSHTRIQKDDLKN-KRWDZBQOSA-N 1 0 332.444 1.855 40 0 EDABRO C[C@@]1(O)CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1Oc1cccc(F)c1 ZINC000257306834 443140381 /nfs/dbraw/zinc/14/03/81/443140381.db2.gz SWEUVQRQHRSZJH-SJLPKXTDSA-N 1 0 336.407 1.556 40 0 EDABRO CCc1noc(C)c1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257310020 443141609 /nfs/dbraw/zinc/14/16/09/443141609.db2.gz UDJXMAJHWXZWJT-AWEZNQCLSA-N 1 0 344.415 1.996 40 0 EDABRO Cc1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CC[C@@H](C2)[C@H]4O)[NH2+]3)c(=O)[nH]1 ZINC000257315985 443144119 /nfs/dbraw/zinc/14/41/19/443144119.db2.gz VDQDJNZTXHHZGA-VQYVRKMMSA-N 1 0 331.416 1.059 40 0 EDABRO C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3ccnc4ccnn43)CC2)C1 ZINC000257284288 443130206 /nfs/dbraw/zinc/13/02/06/443130206.db2.gz PCBKTXJWZNQPKF-HNNXBMFYSA-N 1 0 327.432 1.777 40 0 EDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)CCCn2cccn2)n1 ZINC000257286858 443131180 /nfs/dbraw/zinc/13/11/80/443131180.db2.gz PNIWXZNTEKHGJG-INIZCTEOSA-N 1 0 342.447 1.879 40 0 EDABRO Cc1cnc(C(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@H+]2C)cn1 ZINC000257335157 443151930 /nfs/dbraw/zinc/15/19/30/443151930.db2.gz YIXNDCJOQCSHHB-HNNXBMFYSA-N 1 0 326.404 1.580 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)[nH+]1 ZINC000257343695 443155871 /nfs/dbraw/zinc/15/58/71/443155871.db2.gz ZUAWRBHWBRQYMM-INIZCTEOSA-N 1 0 329.404 1.403 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 ZINC000306130189 444285842 /nfs/dbraw/zinc/28/58/42/444285842.db2.gz IYXKJAPIIIYIRF-HNNXBMFYSA-N 1 0 333.432 1.420 40 0 EDABRO Cc1ccc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)o1 ZINC000306137001 444287222 /nfs/dbraw/zinc/28/72/22/444287222.db2.gz QISTXZQWRYZTQT-YSVLISHTSA-N 1 0 344.415 1.198 40 0 EDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000298131336 444424669 /nfs/dbraw/zinc/42/46/69/444424669.db2.gz HORVRAYTLFDCPX-OAHLLOKOSA-N 1 0 337.851 1.599 40 0 EDABRO CC(C)CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289143 448160675 /nfs/dbraw/zinc/16/06/75/448160675.db2.gz IPWCQPOQFDGYEH-RBUKOAKNSA-N 1 0 329.488 1.648 40 0 biogenic,in-vitro EDABRO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(C[NH+](C4CCCC4)C3)N2C1 ZINC000514289819 448160871 /nfs/dbraw/zinc/16/08/71/448160871.db2.gz PAIQJLFBHVBRPU-RBUKOAKNSA-N 1 0 342.487 1.329 40 0 biogenic,in-vitro EDABRO CC[NH+]1CCC(N2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585277023 448722719 /nfs/dbraw/zinc/72/27/19/448722719.db2.gz JHONOVFZWUVREA-FQEVSTJZSA-N 1 0 348.487 1.921 40 0 EDABRO C[C@H]1Cc2nnc(COCC3CCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097729 448683017 /nfs/dbraw/zinc/68/30/17/448683017.db2.gz NMQFXBMCZXZUOY-ZDUSSCGKSA-N 1 0 330.436 1.765 40 0 EDABRO COC[C@@]1(CC(N)=O)C[N@H+](Cc2cccc3ccccc32)CCO1 ZINC000585279092 448727869 /nfs/dbraw/zinc/72/78/69/448727869.db2.gz STLZGWILBJWKRG-LJQANCHMSA-N 1 0 328.412 1.933 40 0 EDABRO CCCCc1cn(C[C@H]2C[C@H]3CC[N@@H+]2C[C@@H]3C(=O)NC(C)C)nn1 ZINC000008297987 563625446 /nfs/dbraw/zinc/62/54/46/563625446.db2.gz YVYVSWNXKRHBEX-OIISXLGYSA-N 1 0 333.480 1.856 40 0 biogenic,in-vitro EDABRO Cc1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)n1 ZINC000097953382 219063822 /nfs/dbraw/zinc/06/38/22/219063822.db2.gz MDTNFHPVUSEPPN-CZUORRHYSA-N 1 0 337.445 1.596 40 0 EDABRO [NH3+]CC(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 ZINC000100711932 219105202 /nfs/dbraw/zinc/10/52/02/219105202.db2.gz DCLAUOAXTHPWJU-OKILXGFUSA-N 1 0 340.431 1.964 40 0 EDABRO CC(=O)N1CCC([NH2+]C2(Cc3cc(CC(C)C)on3)COC2)CC1 ZINC000067898198 215245651 /nfs/dbraw/zinc/24/56/51/215245651.db2.gz IPYRQSUAIKHRQT-UHFFFAOYSA-N 1 0 335.448 1.785 40 0 biogenic,in-vitro EDABRO Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C[NH3+])C3)n2)n1 ZINC000072360880 216167322 /nfs/dbraw/zinc/16/73/22/216167322.db2.gz QJRZMWANPNDQKW-AWEZNQCLSA-N 1 0 340.431 1.897 40 0 EDABRO COCCNc1ccc(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nn1 ZINC000072366101 216171765 /nfs/dbraw/zinc/17/17/65/216171765.db2.gz YYFDSVMXNXCFBS-CQSZACIVSA-N 1 0 330.436 1.713 40 0 EDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218146301 241301463 /nfs/dbraw/zinc/30/14/63/241301463.db2.gz RGFUOFHQFTZYBK-HRCADAONSA-N 1 0 341.429 1.297 40 0 EDABRO NC(=O)c1cc(C[C@@H]2CCC[N@H+](Cc3cnccn3)CC2)ncn1 ZINC000257213217 244158499 /nfs/dbraw/zinc/15/84/99/244158499.db2.gz CGQQRHJCPSZFAL-CYBMUJFWSA-N 1 0 326.404 1.210 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cccc(CCC(=O)N(C)C)n2)C1 ZINC000257257541 244288395 /nfs/dbraw/zinc/28/83/95/244288395.db2.gz KQBIZOPDROWGPN-CQSZACIVSA-N 1 0 332.448 1.028 40 0 EDABRO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2CCC(N)=O ZINC000257269650 244372047 /nfs/dbraw/zinc/37/20/47/244372047.db2.gz MQUDWUSBVJRZCJ-LNLFQRSKSA-N 1 0 329.444 1.731 40 0 EDABRO CN(C(=O)COc1ccccc1F)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257270744 244376970 /nfs/dbraw/zinc/37/69/70/244376970.db2.gz MVMXGQQRJSMVIU-IIDMSEBBSA-N 1 0 336.407 1.651 40 0 EDABRO O=C(c1cccc(F)c1)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019293594 212013166 /nfs/dbraw/zinc/01/31/66/212013166.db2.gz DDEDJOLWMZFPMJ-CYBMUJFWSA-N 1 0 326.375 1.891 40 0 EDABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)[nH]c(=O)c2C1 ZINC000019081280 212000041 /nfs/dbraw/zinc/00/00/41/212000041.db2.gz PXNNRNMFDVPTSM-LBPRGKRZSA-N 1 0 332.448 1.510 40 0 EDABRO CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079393119 217219323 /nfs/dbraw/zinc/21/93/23/217219323.db2.gz LLLVOKYNOGOSOM-GOEBONIOSA-N 1 0 333.432 1.841 40 0 EDABRO [NH3+]CC(=O)N(C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392991 217218666 /nfs/dbraw/zinc/21/86/66/217218666.db2.gz OACLNGNZPIKWSX-INIZCTEOSA-N 1 0 331.416 1.737 40 0 EDABRO NC(=O)c1cccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1 ZINC000237759601 139059871 /nfs/dbraw/zinc/05/98/71/139059871.db2.gz ASDTXSKRGFGQFQ-UHFFFAOYSA-N 1 0 331.460 1.910 40 0 EDABRO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)[C@H]1CCCO1 ZINC000012326029 211349387 /nfs/dbraw/zinc/34/93/87/211349387.db2.gz LSLCBRCQGDJKEL-MRXNPFEDSA-N 1 0 336.407 1.404 40 0 EDABRO C[NH+]1CCC(COC[C@@H]2CC[C@H]3[C@H](CCN3C(=O)C3CC3)O2)CC1 ZINC000096186110 218651358 /nfs/dbraw/zinc/65/13/58/218651358.db2.gz YJUCCLHLIKCGTN-BZSNNMDCSA-N 1 0 336.476 1.903 40 0 EDABRO COc1cccc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000339484844 142058047 /nfs/dbraw/zinc/05/80/47/142058047.db2.gz QEZIVJHCBSBULC-UHFFFAOYSA-N 1 0 347.459 1.737 40 0 EDABRO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000276270852 273157162 /nfs/dbraw/zinc/15/71/62/273157162.db2.gz QULCQCPWLNULGV-QWFCFKBJSA-N 1 0 345.487 1.615 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244839 276755753 /nfs/dbraw/zinc/75/57/53/276755753.db2.gz UCYZQRHNUMTDTR-LJQANCHMSA-N 1 0 327.428 1.475 40 0 EDABRO CN1CC[NH+]([C@@H]2COC3(C2)CCN(C(=O)c2ccco2)CC3)CC1 ZINC000096048853 277111128 /nfs/dbraw/zinc/11/11/28/277111128.db2.gz PRGSDSZIFWUIRC-HNNXBMFYSA-N 1 0 333.432 1.291 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000096040455 289074811 /nfs/dbraw/zinc/07/48/11/289074811.db2.gz YAJHLQMHOGHZPV-YJBOKZPZSA-N 1 0 333.432 1.420 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccsc1)C2 ZINC000096045449 289170666 /nfs/dbraw/zinc/17/06/66/289170666.db2.gz XPSHLFLOAABODT-ZDUSSCGKSA-N 1 0 349.460 1.194 40 0 EDABRO Cc1nc(C2CC[NH2+]CC2)cc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257277509 293253721 /nfs/dbraw/zinc/25/37/21/293253721.db2.gz NYFYJVACCWFWST-UHFFFAOYSA-N 1 0 332.404 1.758 40 0 EDABRO CNC(=O)Oc1cc(CN(C)C)c(OC(=O)NC)cc1CN(C)C ZINC000001671481 440850724 /nfs/dbraw/zinc/85/07/24/440850724.db2.gz FQYGLASRTKDTKS-UHFFFAOYSA-N 1 0 338.408 1.246 40 0 EDABRO Cc1ccc(N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1C ZINC000013674395 441163373 /nfs/dbraw/zinc/16/33/73/441163373.db2.gz JWWFSPCRTRRXKH-CQSZACIVSA-N 1 0 341.477 1.136 40 0 EDABRO Cc1cncc(C(=O)N2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)c1 ZINC000107207330 441403382 /nfs/dbraw/zinc/40/33/82/441403382.db2.gz ZXEUHEJGOWYZFY-IKGGRYGDSA-N 1 0 333.432 1.340 40 0 EDABRO Cn1nnc2c1CCN(C(=O)C[NH+](C)C)[C@H]2COCc1ccccc1 ZINC000096045326 441993577 /nfs/dbraw/zinc/99/35/77/441993577.db2.gz NYXAMGVXLHPTGN-INIZCTEOSA-N 1 0 343.431 1.019 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3S(C)(=O)=O)o1 ZINC000096048924 441996579 /nfs/dbraw/zinc/99/65/79/441996579.db2.gz RDUSSRIQPUUASH-UHFFFAOYSA-N 1 0 328.434 1.214 40 0 EDABRO CS(=O)(=O)N1CCOCC12CC[NH+](Cc1cccs1)CC2 ZINC000096048922 441996949 /nfs/dbraw/zinc/99/69/49/441996949.db2.gz KFIIUIHLLFEWPP-UHFFFAOYSA-N 1 0 330.475 1.375 40 0 EDABRO O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000096040758 441987342 /nfs/dbraw/zinc/98/73/42/441987342.db2.gz RHCPQPFHMQARLB-NXHRZFHOSA-N 1 0 341.411 1.685 40 0 EDABRO c1cncc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057935 442006552 /nfs/dbraw/zinc/00/65/52/442006552.db2.gz IXMCBBOMYPTNTP-IPMKNSEASA-N 1 0 331.460 1.926 40 0 EDABRO CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccoc1)C2 ZINC000096060854 442008420 /nfs/dbraw/zinc/00/84/20/442008420.db2.gz OCQVAZOUZBNKOD-OAHLLOKOSA-N 1 0 333.436 1.569 40 0 EDABRO COc1cccc(N2C[C@]3(CCN(C(=O)C[NH+](C)C)C3)CC2=O)c1 ZINC000096077489 442021068 /nfs/dbraw/zinc/02/10/68/442021068.db2.gz LVUICFFGOHRVNH-GOSISDBHSA-N 1 0 331.416 1.212 40 0 EDABRO Cn1nc(C[NH+]2CCCC2)c2c1CN(C(=O)c1ccncc1F)CC2 ZINC000096084175 442024617 /nfs/dbraw/zinc/02/46/17/442024617.db2.gz KTHDUIOAOPWWTQ-UHFFFAOYSA-N 1 0 343.406 1.749 40 0 EDABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)[C@H]2C ZINC000096087584 442025779 /nfs/dbraw/zinc/02/57/79/442025779.db2.gz GRKPHSPDWZUHIU-ZDUSSCGKSA-N 1 0 328.420 1.730 40 0 EDABRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100364 442028136 /nfs/dbraw/zinc/02/81/36/442028136.db2.gz FGKJRNNZOUISPR-INMHGKMJSA-N 1 0 329.400 1.637 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000096224441 442092729 /nfs/dbraw/zinc/09/27/29/442092729.db2.gz ROBXFCUIRVQIGA-LJQANCHMSA-N 1 0 339.443 1.830 40 0 EDABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000096158233 442047763 /nfs/dbraw/zinc/04/77/63/442047763.db2.gz ZWHQRVWQUIRWGC-IEBWSBKVSA-N 1 0 329.444 1.728 40 0 EDABRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4nccn4C)CC[N@@H+]3C2)n1 ZINC000096183437 442055915 /nfs/dbraw/zinc/05/59/15/442055915.db2.gz NXZCPQWBRSVHOH-ZWKOTPCHSA-N 1 0 341.459 1.599 40 0 EDABRO O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000096186579 442062206 /nfs/dbraw/zinc/06/22/06/442062206.db2.gz QDDZYEZEWQZWOR-ULQDDVLXSA-N 1 0 327.384 1.723 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)cn1 ZINC000096186326 442062944 /nfs/dbraw/zinc/06/29/44/442062944.db2.gz IRELVSMHFISOIU-IRXDYDNUSA-N 1 0 332.448 1.412 40 0 EDABRO c1cnc(NC[C@H]2OC[C@H]3C[N@H+](Cc4cccnc4)CC[C@H]32)nc1 ZINC000096187339 442064725 /nfs/dbraw/zinc/06/47/25/442064725.db2.gz QSOXQYPGEKZFSA-BRWVUGGUSA-N 1 0 325.416 1.821 40 0 EDABRO COc1ccc(CC(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC000096188232 442065747 /nfs/dbraw/zinc/06/57/47/442065747.db2.gz JYGTZAYTAXPFNR-INIZCTEOSA-N 1 0 342.443 1.654 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)cn1 ZINC000096199899 442074249 /nfs/dbraw/zinc/07/42/49/442074249.db2.gz HVSJHQNWBJLJBY-INIZCTEOSA-N 1 0 325.416 1.453 40 0 EDABRO Cn1cc(C[C@H]2[C@H]([NH+](C)C)CCN2C(=O)Cc2cccc(F)c2)cn1 ZINC000096200911 442075037 /nfs/dbraw/zinc/07/50/37/442075037.db2.gz UEDXVLRVJYMKEI-MSOLQXFVSA-N 1 0 344.434 1.876 40 0 EDABRO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@]12CCN(Cc1cccnc1)C2=O ZINC000096201730 442076401 /nfs/dbraw/zinc/07/64/01/442076401.db2.gz FHDVCRWSNLYUQN-AYBZRNKSSA-N 1 0 329.444 1.789 40 0 EDABRO CCn1nc(C)cc1C(=O)N1CCC2(C[C@@H](COC)[N@H+](C)C2)CC1 ZINC000096206562 442080117 /nfs/dbraw/zinc/08/01/17/442080117.db2.gz LTTJSCRCZVHSPC-HNNXBMFYSA-N 1 0 334.464 1.784 40 0 EDABRO O=C(C[C@@H]1OC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]21)Nc1cccnc1 ZINC000096207420 442081460 /nfs/dbraw/zinc/08/14/60/442081460.db2.gz ZVNACQAUJJCODB-OLMNPRSZSA-N 1 0 345.443 1.926 40 0 EDABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(S(=O)(=O)C1CC1)CC2 ZINC000096209249 442084683 /nfs/dbraw/zinc/08/46/83/442084683.db2.gz IMZVFKNPQSNGND-OAHLLOKOSA-N 1 0 342.505 1.692 40 0 EDABRO O=C1NC[C@@H](COc2cccnc2)[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096218370 442089215 /nfs/dbraw/zinc/08/92/15/442089215.db2.gz ANJAFBVAOFCZPX-KBXCAEBGSA-N 1 0 327.384 1.692 40 0 EDABRO COCCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)C1=O ZINC000096261501 442108487 /nfs/dbraw/zinc/10/84/87/442108487.db2.gz ZRJRCEBDQSXRRK-ZIFCJYIRSA-N 1 0 342.443 1.569 40 0 EDABRO NC(=O)c1cnn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000257309610 443141655 /nfs/dbraw/zinc/14/16/55/443141655.db2.gz UBPSJUUTCKLROW-UHFFFAOYSA-N 1 0 336.399 1.603 40 0 EDABRO COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3cscn3)C[C@H]2O)cc1 ZINC000257322724 443146825 /nfs/dbraw/zinc/14/68/25/443146825.db2.gz WHCIFBDLZPIOMI-HZPDHXFCSA-N 1 0 347.440 1.469 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C ZINC000257323004 443146938 /nfs/dbraw/zinc/14/69/38/443146938.db2.gz WIJIASYIUMCFPH-SFHVURJKSA-N 1 0 332.448 1.073 40 0 EDABRO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](CC2CC2)CC1 ZINC000225468266 443105558 /nfs/dbraw/zinc/10/55/58/443105558.db2.gz JITOTFIIOSQNJS-UHFFFAOYSA-N 1 0 337.489 1.669 40 0 biogenic,in-vitro EDABRO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257201363 443124958 /nfs/dbraw/zinc/12/49/58/443124958.db2.gz AHIUNKWJCITDAS-QGZVFWFLSA-N 1 0 346.475 1.658 40 0 EDABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000257324228 443147907 /nfs/dbraw/zinc/14/79/07/443147907.db2.gz WNSZNKQSPKAVSN-OAHLLOKOSA-N 1 0 328.416 1.843 40 0 EDABRO Cc1cnc(CCNC(=O)[C@@H]2CN(c3ccc(F)cc3)CC[NH2+]2)s1 ZINC000257282696 443129318 /nfs/dbraw/zinc/12/93/18/443129318.db2.gz OUWXMEXNHLMCIZ-HNNXBMFYSA-N 1 0 348.447 1.728 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3ccccc3OC)CC2)OC[C@]1(C)O ZINC000257326060 443149246 /nfs/dbraw/zinc/14/92/46/443149246.db2.gz WVQFMLMGVLJACK-WMZOPIPTSA-N 1 0 348.443 1.429 40 0 EDABRO CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257343159 443155505 /nfs/dbraw/zinc/15/55/05/443155505.db2.gz ZRSOZOXIBLSBOT-NCOADZHNSA-N 1 0 333.432 1.351 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC ZINC000242554627 443211095 /nfs/dbraw/zinc/21/10/95/443211095.db2.gz MPSWWIWTYUUGEJ-GZBFAFLISA-N 1 0 329.393 1.234 40 0 EDABRO CCN1CC[C@H]([NH2+]CC2CC2)[C@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306132894 444286030 /nfs/dbraw/zinc/28/60/30/444286030.db2.gz LVJIJMMMLVLWAP-WMZOPIPTSA-N 1 0 334.464 1.122 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@H]1C2 ZINC000306135104 444286487 /nfs/dbraw/zinc/28/64/87/444286487.db2.gz OHZIIQMCPVAGPQ-OLZOCXBDSA-N 1 0 329.404 1.314 40 0 EDABRO C[C@]1([NH2+]CCNC(=S)Nc2ccccc2)CCS(=O)(=O)C1 ZINC000575423153 447858284 /nfs/dbraw/zinc/85/82/84/447858284.db2.gz YMPJFDURSBYXJW-AWEZNQCLSA-N 1 0 327.475 1.140 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289249 448160363 /nfs/dbraw/zinc/16/03/63/448160363.db2.gz KEDLPAINEUOVJI-RTBURBONSA-N 1 0 329.488 1.648 40 0 biogenic,in-vitro EDABRO COCC[N@@H+]1CCC[C@]2(CCCN2C(=O)c2snnc2C)CC1 ZINC000585099974 448685300 /nfs/dbraw/zinc/68/53/00/448685300.db2.gz BSXAHTBIJGDASO-INIZCTEOSA-N 1 0 338.477 1.954 40 0 EDABRO CCC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4nc(C)cc(C)n4)CC3)[C@@H]2C1 ZINC000585105991 448688017 /nfs/dbraw/zinc/68/80/17/448688017.db2.gz ANXWHWICUBMNMB-HZPDHXFCSA-N 1 0 343.475 1.520 40 0 EDABRO CS(=O)(=O)NCC[C@@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095104 448677185 /nfs/dbraw/zinc/67/71/85/448677185.db2.gz FSRHOJFLCUIWKZ-CQSZACIVSA-N 1 0 341.477 1.038 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@](CO)(Cc3ccccc3C)C2)CC1 ZINC000585278791 448726686 /nfs/dbraw/zinc/72/66/86/448726686.db2.gz VHCIYYLJHFAUIP-HXUWFJFHSA-N 1 0 346.471 1.612 40 0 EDABRO CN(C)C(=O)C[C@@]1(O)COCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000585280661 448729886 /nfs/dbraw/zinc/72/98/86/448729886.db2.gz MWBNTZJFFFCBKO-IBGZPJMESA-N 1 0 343.427 1.276 40 0 EDABRO C[N@@H+](Cc1cccc(OC2CCCC2)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291146 448735537 /nfs/dbraw/zinc/73/55/37/448735537.db2.gz LFLZKZJTNBIMPF-LZQZEXGQSA-N 1 0 335.444 1.808 40 0 EDABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)nc1 ZINC000257276858 536020624 /nfs/dbraw/zinc/02/06/24/536020624.db2.gz NVKACATVGBTXKE-INIZCTEOSA-N 1 0 338.477 1.621 40 0 EDABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)nc1 ZINC000257275261 536021178 /nfs/dbraw/zinc/02/11/78/536021178.db2.gz NOPBAHJMYDLFNC-OAHLLOKOSA-N 1 0 327.388 1.204 40 0 EDABRO Cn1cccc1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC000096073955 282101499 /nfs/dbraw/zinc/10/14/99/282101499.db2.gz DRZLPELBPRABQT-GOSISDBHSA-N 1 0 332.448 1.041 40 0 EDABRO [NH3+]CC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000036296720 213083001 /nfs/dbraw/zinc/08/30/01/213083001.db2.gz JKUGGSQLMLAGOG-UHFFFAOYSA-N 1 0 333.251 1.809 40 0 EDABRO COc1cccc(C[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000035311507 213019946 /nfs/dbraw/zinc/01/99/46/213019946.db2.gz ZQYHIVUOVFJXAZ-UHFFFAOYSA-N 1 0 328.368 1.830 40 0 EDABRO Cc1cccnc1Nc1cc([C@@H]2CCCN2C(=O)C[NH3+])nc(C)n1 ZINC000072360889 216167494 /nfs/dbraw/zinc/16/74/94/216167494.db2.gz UKGMNUZOMPDRBD-AWEZNQCLSA-N 1 0 326.404 1.854 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360919 216167550 /nfs/dbraw/zinc/16/75/50/216167550.db2.gz QYAACCMBILSHHZ-CQSZACIVSA-N 1 0 326.404 1.807 40 0 EDABRO O=C(c1cccnc1)N1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072354470 216163032 /nfs/dbraw/zinc/16/30/32/216163032.db2.gz SLDABXLLPPVKDW-QGZVFWFLSA-N 1 0 325.412 1.960 40 0 EDABRO C[NH+](C)CC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072354971 216164494 /nfs/dbraw/zinc/16/44/94/216164494.db2.gz CDYISHDNWOWQSP-UHFFFAOYSA-N 1 0 341.419 1.278 40 0 EDABRO O=C(c1nccc2ccccc21)N1CCn2c(nnc2[C@@H]2CCC[NH2+]2)C1 ZINC000072373970 216176796 /nfs/dbraw/zinc/17/67/96/216176796.db2.gz APXGQQXQUQPBSJ-HNNXBMFYSA-N 1 0 348.410 1.907 40 0 EDABRO Cn1ccnc1C[N@@H+]1CCC[C@@](CCCc2ccncc2)(C(N)=O)C1 ZINC000072367259 216173763 /nfs/dbraw/zinc/17/37/63/216173763.db2.gz HYUCMIGKGUQRCD-LJQANCHMSA-N 1 0 341.459 1.906 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493605 241325827 /nfs/dbraw/zinc/32/58/27/241325827.db2.gz IFRYPRVOFPOTPI-OFQRWUPVSA-N 1 0 325.430 1.268 40 0 EDABRO COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C[NH3+])cc1 ZINC000218096218 241298476 /nfs/dbraw/zinc/29/84/76/241298476.db2.gz ZOWPSFGVHIFVRO-YESZJQIVSA-N 1 0 332.425 1.291 40 0 EDABRO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+]([C@H]1CCOC1)C2 ZINC000253588594 244026162 /nfs/dbraw/zinc/02/61/62/244026162.db2.gz JJANFKZRZLXKJJ-YJBOKZPZSA-N 1 0 328.416 1.716 40 0 EDABRO O=C1CCCN1CC[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21 ZINC000253616721 244040204 /nfs/dbraw/zinc/04/02/04/244040204.db2.gz ATLOCJLQDBFIKB-KRWDZBQOSA-N 1 0 332.448 1.679 40 0 EDABRO Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257238027 244235065 /nfs/dbraw/zinc/23/50/65/244235065.db2.gz HJIAUIZCHDJYDD-JFIYKMOQSA-N 1 0 334.464 1.026 40 0 EDABRO CCN(C[C@@H]1CCCCN1C(=O)C[NH3+])C(=O)OCc1ccccc1 ZINC000079412424 217221381 /nfs/dbraw/zinc/22/13/81/217221381.db2.gz FDNKMRDHGLKBTP-INIZCTEOSA-N 1 0 333.432 1.985 40 0 EDABRO [NH3+]CC(=O)N(C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392996 217218213 /nfs/dbraw/zinc/21/82/13/217218213.db2.gz RPDBNWYRIOGGDA-UHFFFAOYSA-N 1 0 331.416 1.737 40 0 EDABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCC[NH+]1CCCC1 ZINC000010112492 211148474 /nfs/dbraw/zinc/14/84/74/211148474.db2.gz RTBPILTVPFVDIG-UHFFFAOYSA-N 1 0 339.461 1.582 40 0 EDABRO CCCCN1C(=O)[C@H]2[C@@H](C)[NH2+][C@]3(c4cccc(C)c4NC3=O)[C@@H]2C1=O ZINC000008995921 211030291 /nfs/dbraw/zinc/03/02/91/211030291.db2.gz NUANHMFWMWBFGM-ADVCWENDSA-N 1 0 341.411 1.535 40 0 EDABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCC[NH2+]3)nc2n(C)c1=O ZINC000072354419 274885853 /nfs/dbraw/zinc/88/58/53/274885853.db2.gz ULFFTEDOELGQDV-VIFPVBQESA-N 1 0 342.321 1.466 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000183986630 277253146 /nfs/dbraw/zinc/25/31/46/277253146.db2.gz GWOSFDBZSPMXFM-IAGOWNOFSA-N 1 0 345.443 1.015 40 0 EDABRO [NH3+]CCN1CCO[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000008559510 441095344 /nfs/dbraw/zinc/09/53/44/441095344.db2.gz VGXIVPDAJYLFFI-LBPRGKRZSA-N 1 0 345.321 1.220 40 0 EDABRO NC(=[NH2+])NC1=NC(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 ZINC000008559549 441095697 /nfs/dbraw/zinc/09/56/97/441095697.db2.gz ZYSKBLKSXXLVTD-MRVPVSSYSA-N 1 0 343.771 1.289 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1C1CCN(c2ncccn2)CC1 ZINC000072368939 441231524 /nfs/dbraw/zinc/23/15/24/441231524.db2.gz OYYGXWNOECCNSB-INIZCTEOSA-N 1 0 331.464 1.636 40 0 EDABRO Cc1nccn1CC1(O)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000019287935 441254995 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Cn1cc(C[N@@H+]2C[C@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)cn1 ZINC000096038948 441986032 /nfs/dbraw/zinc/98/60/32/441986032.db2.gz AQCFPSYJQCFYDH-DJIMGWMZSA-N 1 0 344.415 1.309 40 0 EDABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCOC2)n1 ZINC000096064736 442012052 /nfs/dbraw/zinc/01/20/52/442012052.db2.gz FGVIAPFNXRVEDB-CGTJXYLNSA-N 1 0 329.444 1.992 40 0 EDABRO O=C([C@H]1CCCO1)N1CC[C@@]2(c3ccccc3)C[N@H+](CCO)C[C@@H]2C1 ZINC000096083364 442024585 /nfs/dbraw/zinc/02/45/85/442024585.db2.gz HVFBFULGUBJFTC-GGPKGHCWSA-N 1 0 344.455 1.260 40 0 EDABRO CN(C)C(=O)COC[C@H]1CC2(CO1)CC[NH+](Cc1ccoc1)CC2 ZINC000096105945 442029087 /nfs/dbraw/zinc/02/90/87/442029087.db2.gz CYQCOPUUQLGDHQ-MRXNPFEDSA-N 1 0 336.432 1.756 40 0 EDABRO c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)nc1 ZINC000096108772 442033694 /nfs/dbraw/zinc/03/36/94/442033694.db2.gz FUFINLRHBJXDRK-IEBWSBKVSA-N 1 0 332.444 1.973 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCO4)OC[C@H]3C2)o1 ZINC000096218389 442089723 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449219736 /nfs/dbraw/zinc/21/97/36/449219736.db2.gz BHXRSBGBHJUEQO-LJQANCHMSA-N 1 0 327.472 1.810 40 0 biogenic,in-vitro EDABRO CCCc1nnsc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257226835 535551645 /nfs/dbraw/zinc/55/16/45/535551645.db2.gz FMJWRXWTTCKLQS-MRVWCRGKSA-N 1 0 338.477 1.598 40 0 EDABRO CCc1cc(C(=O)NCc2cnc(CC3CC[NH+](C)CC3)cn2)on1 ZINC000257255398 536126773 /nfs/dbraw/zinc/12/67/73/536126773.db2.gz KHHPHQGFTYFVBC-UHFFFAOYSA-N 1 0 343.431 1.841 40 0 EDABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]2C[C@@]1(C)O ZINC000257247142 536378658 /nfs/dbraw/zinc/37/86/58/536378658.db2.gz IXRQCSSERXVIQJ-DPAVQSFQSA-N 1 0 338.473 1.267 40 0 EDABRO COc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1OC ZINC000217559056 536896986 /nfs/dbraw/zinc/89/69/86/536896986.db2.gz VOENMYALFVYTMT-LBPRGKRZSA-N 1 0 325.372 1.885 40 0 EDABRO COc1ccc(F)cc1C(=O)NCc1c[nH]c([C@@H]2CC[N@H+](C)C2)n1 ZINC000257216471 536616859 /nfs/dbraw/zinc/61/68/59/536616859.db2.gz CUPZNCBJKYQYDG-LLVKDONJSA-N 1 0 332.379 1.907 40 0 EDABRO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706371 202017084 /nfs/dbraw/zinc/01/70/84/202017084.db2.gz YCFIVRHRCQUIOP-OAHLLOKOSA-N 1 0 343.406 1.469 40 0 EDABRO CC(=O)N[C@@H]1CO[C@@H]2CC[N@H+](Cc3cccc(C)c3)C[C@@H]2C[C@@]1(C)O ZINC000257207157 244135857 /nfs/dbraw/zinc/13/58/57/244135857.db2.gz BGOWOWYNZAGPSX-MTQWCTHYSA-N 1 0 346.471 1.862 40 0 EDABRO Cc1nccc(C(=O)NCc2cnc(CC3CC[NH+](C)CC3)cn2)n1 ZINC000257222198 244188179 /nfs/dbraw/zinc/18/81/79/244188179.db2.gz DSIQEQIVMATGQH-UHFFFAOYSA-N 1 0 340.431 1.389 40 0 EDABRO Cn1ccnc1-c1nccnc1C[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000257224781 244197996 /nfs/dbraw/zinc/19/79/96/244197996.db2.gz FDIFZWSSCKWEGV-HNNXBMFYSA-N 1 0 340.475 1.836 40 0 EDABRO Cc1cccc(C(=O)N2CC[C@H](O)[C@@H]([N@H+](C)C3CCOCC3)CC2)n1 ZINC000257227975 244207379 /nfs/dbraw/zinc/20/73/79/244207379.db2.gz FRVUNUPGIKOHAX-ROUUACIJSA-N 1 0 347.459 1.466 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000072378796 203210904 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EDABRO Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)o1 ZINC000096060665 203815006 /nfs/dbraw/zinc/81/50/06/203815006.db2.gz QYZOYNUXRLBMRS-CQSZACIVSA-N 1 0 333.436 1.394 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)C[NH3+])cc1 ZINC000218630700 292186070 /nfs/dbraw/zinc/18/60/70/292186070.db2.gz QPHVQXMJYZQXFE-BBWFWOEESA-N 1 0 334.416 1.730 40 0 EDABRO CCC[NH+](CCC)CCCNC(=O)C(=O)NCCc1ccccc1 ZINC000283213474 273800784 /nfs/dbraw/zinc/80/07/84/273800784.db2.gz JEVCNUGMARVWQE-UHFFFAOYSA-N 1 0 333.476 1.974 40 0 EDABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ncc2C1 ZINC000019590691 277188273 /nfs/dbraw/zinc/18/82/73/277188273.db2.gz XIEWIKVHJYTRSV-UHFFFAOYSA-N 1 0 326.404 1.207 40 0 EDABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012326604 441130111 /nfs/dbraw/zinc/13/01/11/441130111.db2.gz BFMKTSQOTRVQLR-KRWDZBQOSA-N 1 0 338.473 1.918 40 0 EDABRO Cc1ccc(N[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]3CCCO[C@H]23)nn1 ZINC000097953519 441147109 /nfs/dbraw/zinc/14/71/09/441147109.db2.gz FONUEGXYYVCXIB-LESCRADOSA-N 1 0 332.448 1.855 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21)N1CCCCO1 ZINC000097953541 441147832 /nfs/dbraw/zinc/14/78/32/441147832.db2.gz ZHGIOPKMQVFNBT-OAGGEKHMSA-N 1 0 336.457 1.997 40 0 EDABRO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000072335605 441229709 /nfs/dbraw/zinc/22/97/09/441229709.db2.gz NQHQXPDNBXGVBL-KBPBESRZSA-N 1 0 332.448 1.543 40 0 EDABRO c1cnn(CCN2CC[N@H+](C[C@H]3CCOC3)Cc3cccnc32)c1 ZINC000107215003 441404089 /nfs/dbraw/zinc/40/40/89/441404089.db2.gz QHQPOGNJVPMDRR-MRXNPFEDSA-N 1 0 327.432 1.637 40 0 EDABRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)C2O ZINC000032124077 441546814 /nfs/dbraw/zinc/54/68/14/441546814.db2.gz ZWXXWQXGNIKCTR-YQQQUEKLSA-N 1 0 327.428 1.943 40 0 EDABRO CNC(=O)[C@H]1CO[C@H]2CC[N@H+](CCOCc3ccccc3)C[C@H]2C1 ZINC000096042654 441991755 /nfs/dbraw/zinc/99/17/55/441991755.db2.gz NYKXMGSXIIOZNB-KURKYZTESA-N 1 0 332.444 1.676 40 0 EDABRO c1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096048407 441996404 /nfs/dbraw/zinc/99/64/04/441996404.db2.gz KKTUIYXYBNMSEK-WMZOPIPTSA-N 1 0 332.448 1.939 40 0 EDABRO c1cncc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)c1 ZINC000096049641 441997574 /nfs/dbraw/zinc/99/75/74/441997574.db2.gz CUTLQDYPNVSNQL-LJQANCHMSA-N 1 0 339.443 1.991 40 0 EDABRO Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2cccs2)C3)cn1 ZINC000096061007 442008492 /nfs/dbraw/zinc/00/84/92/442008492.db2.gz KWVXCEJAQKRTMG-GFCCVEGCSA-N 1 0 330.417 1.429 40 0 EDABRO COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CC[N@@H+]([C@H]3CCOC3)CC[C@H]12 ZINC000096065571 442013750 /nfs/dbraw/zinc/01/37/50/442013750.db2.gz FOTXLUANFDJHNX-XMTFNYHQSA-N 1 0 336.476 1.618 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccoc1)C2 ZINC000096065007 442012975 /nfs/dbraw/zinc/01/29/75/442012975.db2.gz UYRBHPBOXPFLGY-SJLPKXTDSA-N 1 0 336.432 1.869 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)cn1 ZINC000096107114 442030733 /nfs/dbraw/zinc/03/07/33/442030733.db2.gz MZGSUNWVSYIBAS-MSOLQXFVSA-N 1 0 340.427 1.674 40 0 EDABRO O=C(c1cscn1)N1CCO[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096108095 442031814 /nfs/dbraw/zinc/03/18/14/442031814.db2.gz HAAPGXBCESFLCZ-GDBMZVCRSA-N 1 0 344.440 1.511 40 0 EDABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)ccn1 ZINC000096108774 442033762 /nfs/dbraw/zinc/03/37/62/442033762.db2.gz NGRGADGFRDOGPA-RTBURBONSA-N 1 0 332.444 1.973 40 0 EDABRO CCC(CC)C(=O)N1CCC2(CC1)COCCN2CC[NH+](C)C ZINC000096226195 442094250 /nfs/dbraw/zinc/09/42/50/442094250.db2.gz HUHWOSUURGPMRQ-UHFFFAOYSA-N 1 0 325.497 1.678 40 0 EDABRO CN1[C@H]2CC[N@H+](CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145706 442044997 /nfs/dbraw/zinc/04/49/97/442044997.db2.gz JKYRVNMPPICBPN-GJZGRUSLSA-N 1 0 336.457 1.943 40 0 EDABRO C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)N2CCCC2)C1 ZINC000096189004 442066572 /nfs/dbraw/zinc/06/65/72/442066572.db2.gz GZDSLOUOQHLFSX-HNNXBMFYSA-N 1 0 335.452 1.109 40 0 EDABRO O=c1cccnn1C[C@H]1Cn2ccnc2C[N@H+](CC2CCCC2)C1 ZINC000096188739 442067366 /nfs/dbraw/zinc/06/73/66/442067366.db2.gz KOKNTLJVIJKGAD-MRXNPFEDSA-N 1 0 327.432 1.762 40 0 EDABRO C[C@H]1c2ncc(COCc3cccnc3)n2CCN1C(=O)C[NH+](C)C ZINC000096206386 442080482 /nfs/dbraw/zinc/08/04/82/442080482.db2.gz QWZSFFCOXBDHEW-AWEZNQCLSA-N 1 0 343.431 1.460 40 0 EDABRO O=S(=O)(NC[C@H]1CCC[C@]2(CC[N@H+](CC3CC3)C2)O1)C1CC1 ZINC000096206501 442080602 /nfs/dbraw/zinc/08/06/02/442080602.db2.gz CIJOQFBXFJDGNR-GDBMZVCRSA-N 1 0 328.478 1.492 40 0 EDABRO CN(C)C(=O)COC[C@H]1CC2(CO1)CC[NH+](C1CCOCC1)CC2 ZINC000096207907 442082186 /nfs/dbraw/zinc/08/21/86/442082186.db2.gz VQJIBDLETSPJJU-MRXNPFEDSA-N 1 0 340.464 1.141 40 0 EDABRO O=C(NCc1cccs1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000096216850 442087870 /nfs/dbraw/zinc/08/78/70/442087870.db2.gz NIGNLAOJRFZWCQ-IXDOHACOSA-N 1 0 343.452 1.906 40 0 EDABRO COc1cc(C[NH2+]C[C@H]2Cn3ccnc3CO2)cc(OC)c1OC ZINC000096296260 442110500 /nfs/dbraw/zinc/11/05/00/442110500.db2.gz ISGJHUSZWQZQJU-ZDUSSCGKSA-N 1 0 333.388 1.598 40 0 biogenic,in-vitro EDABRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)o1 ZINC000096246240 442102232 /nfs/dbraw/zinc/10/22/32/442102232.db2.gz GLYBXLJQNWIVJM-HUUCEWRRSA-N 1 0 326.400 1.972 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251165 442104760 /nfs/dbraw/zinc/10/47/60/442104760.db2.gz IJBFBNZUIJMMHY-CRAIPNDOSA-N 1 0 331.464 1.492 40 0 EDABRO Cc1ncc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000247930149 442873701 /nfs/dbraw/zinc/87/37/01/442873701.db2.gz CFLOKSBTWRUUSU-MJGOQNOKSA-N 1 0 344.459 1.636 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218173657 443058437 /nfs/dbraw/zinc/05/84/37/443058437.db2.gz YCKAMNPVQMGNAF-ULQDDVLXSA-N 1 0 331.393 1.991 40 0 EDABRO CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257303718 443138662 /nfs/dbraw/zinc/13/86/62/443138662.db2.gz SIKVLZWAYCGSPT-JFIYKMOQSA-N 1 0 338.398 1.953 40 0 EDABRO O=C(C[NH+]1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257326956 443149107 /nfs/dbraw/zinc/14/91/07/443149107.db2.gz WZGDLUHOHPSMFY-UHFFFAOYSA-N 1 0 329.448 1.756 40 0 EDABRO CCc1nccn1CCC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257332095 443151192 /nfs/dbraw/zinc/15/11/92/443151192.db2.gz XVSQEHOVFOXSND-GPMSIDNRSA-N 1 0 348.491 1.720 40 0 EDABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000242648599 443211188 /nfs/dbraw/zinc/21/11/88/443211188.db2.gz RDDKBKLXRXKVJK-OAGGEKHMSA-N 1 0 336.844 1.936 40 0 EDABRO Cc1cc(N2Cc3ccnn3[C@@H](CC[NH+](C)C)C2)n2ncnc2n1 ZINC000306123793 444284785 /nfs/dbraw/zinc/28/47/85/444284785.db2.gz AWXJFYVPKPHONC-AWEZNQCLSA-N 1 0 326.408 1.142 40 0 EDABRO COc1ncccc1C(=O)N1CCOC[C@@]2(CC[C@H](C[NH+](C)C)O2)C1 ZINC000306141015 444287713 /nfs/dbraw/zinc/28/77/13/444287713.db2.gz VIZPACBTCWMLGO-RDTXWAMCSA-N 1 0 349.431 1.042 40 0 EDABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)Nc2cccs2)[C@H]1O ZINC000514288680 448161037 /nfs/dbraw/zinc/16/10/37/448161037.db2.gz KICCSYAKFATIJY-SGMGOOAPSA-N 1 0 327.450 1.730 40 0 biogenic,in-vitro EDABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000585106101 448688033 /nfs/dbraw/zinc/68/80/33/448688033.db2.gz LTQNHEYQDNRGIP-GJZGRUSLSA-N 1 0 329.448 1.149 40 0 EDABRO Cc1cccc(OC[C@]2(O)COCCN(C3CC[NH+](C)CC3)C2)c1 ZINC000585276103 448720946 /nfs/dbraw/zinc/72/09/46/448720946.db2.gz LWEKDGYGJMRJAC-LJQANCHMSA-N 1 0 334.460 1.531 40 0 EDABRO Cn1cncc1C[N@@H+]1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 ZINC000585099794 448683482 /nfs/dbraw/zinc/68/34/82/448683482.db2.gz AWJJHGOEKNGKJV-HKUYNNGSSA-N 1 0 346.475 1.946 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@](CO)(Cc3ccc(C)cc3)C2)CC1 ZINC000585277577 448724561 /nfs/dbraw/zinc/72/45/61/448724561.db2.gz NDTQPRCCTQLNAR-HXUWFJFHSA-N 1 0 346.471 1.612 40 0 EDABRO CO[C@H]1C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]1CC(=O)N(C)C ZINC000585279677 448729255 /nfs/dbraw/zinc/72/92/55/448729255.db2.gz XDQCXZSKRSTXGO-ZBFHGGJFSA-N 1 0 347.463 1.002 40 0 EDABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](C3CCOCC3)CC[C@@H]2O)c1 ZINC000585288117 485898551 /nfs/dbraw/zinc/89/85/51/485898551.db2.gz WPBBXPCCBGIILQ-OALUTQOASA-N 1 0 335.444 1.659 40 0 EDABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC000257210449 536414088 /nfs/dbraw/zinc/41/40/88/536414088.db2.gz BUQVDSLWPVDPCH-KRWDZBQOSA-N 1 0 337.851 1.164 40 0 EDABRO CC(=O)NCC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019021241 201998340 /nfs/dbraw/zinc/99/83/40/201998340.db2.gz UJOLDSWTUNCUIQ-UHFFFAOYSA-N 1 0 345.443 1.445 40 0 EDABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3)C2)c2cccnc21 ZINC000019370082 202005226 /nfs/dbraw/zinc/00/52/26/202005226.db2.gz DBKGDLIREYQYFX-INIZCTEOSA-N 1 0 349.438 1.949 40 0 EDABRO CC1CC[NH+](CCNC(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 ZINC000019496915 202009086 /nfs/dbraw/zinc/00/90/86/202009086.db2.gz JUGUHRPEVQHWMQ-UHFFFAOYSA-N 1 0 343.427 1.802 40 0 EDABRO O=C(NCCC[NH+]1CCCC1)c1cccc(CN2CCOCC2)c1 ZINC000030754722 202198691 /nfs/dbraw/zinc/19/86/91/202198691.db2.gz VFCTWNRXHKUZAZ-UHFFFAOYSA-N 1 0 331.460 1.735 40 0 EDABRO CCN(CC)CC[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000022034494 212272225 /nfs/dbraw/zinc/27/22/25/212272225.db2.gz PHPXFVCOUQNKCI-UHFFFAOYSA-N 1 0 336.455 1.406 40 0 EDABRO COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])CO)cc1 ZINC000218111175 241297622 /nfs/dbraw/zinc/29/76/22/241297622.db2.gz GTYISAMDORGFHF-OKZBNKHCSA-N 1 0 347.436 1.633 40 0 EDABRO N[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218577105 241333349 /nfs/dbraw/zinc/33/33/49/241333349.db2.gz RDDKBKLXRXKVJK-HRCADAONSA-N 1 0 336.844 1.936 40 0 EDABRO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](C[C@H]1CCOC1)C2 ZINC000253588653 244024730 /nfs/dbraw/zinc/02/47/30/244024730.db2.gz MRVOFLPJMVKBNV-SJORKVTESA-N 1 0 342.443 1.963 40 0 EDABRO c1csc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)n1 ZINC000253596221 244031642 /nfs/dbraw/zinc/03/16/42/244031642.db2.gz ORABJWNJSQSFJK-DOTOQJQBSA-N 1 0 337.489 1.989 40 0 EDABRO Cc1cccc(N2CCC[C@H]([N@H+](C)CC(=O)N3CCOCC3)C2)n1 ZINC000257232510 244216906 /nfs/dbraw/zinc/21/69/06/244216906.db2.gz GLDQABNNJDRTIH-INIZCTEOSA-N 1 0 332.448 1.149 40 0 EDABRO C[NH2+]CC(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257219886 244181425 /nfs/dbraw/zinc/18/14/25/244181425.db2.gz DIQIUFMKVKICRM-UHFFFAOYSA-N 1 0 326.404 1.541 40 0 EDABRO Cc1nnc(Nc2cccc(C3CCN(C(=O)C[NH3+])CC3)n2)s1 ZINC000072382971 203210563 /nfs/dbraw/zinc/21/05/63/203210563.db2.gz NERVKDZWHJIGBG-UHFFFAOYSA-N 1 0 332.433 1.650 40 0 EDABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1 ZINC000072387184 203211924 /nfs/dbraw/zinc/21/19/24/203211924.db2.gz ZOMJYAHHEFQWJG-HNNXBMFYSA-N 1 0 345.491 1.841 40 0 EDABRO Cc1cncc(C(=O)NCc2nccnc2C2CC[NH+](C)CC2)c1 ZINC000257246546 244257531 /nfs/dbraw/zinc/25/75/31/244257531.db2.gz IUQHMAFGXXUOLR-UHFFFAOYSA-N 1 0 325.416 1.919 40 0 EDABRO Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc[nH+]1 ZINC000257247735 244261373 /nfs/dbraw/zinc/26/13/73/244261373.db2.gz JAGBDTJDTGACAM-OAHLLOKOSA-N 1 0 347.440 1.686 40 0 EDABRO O=C(Cc1cccs1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257248619 244262484 /nfs/dbraw/zinc/26/24/84/244262484.db2.gz JEMAGBRZFNUXLV-OAHLLOKOSA-N 1 0 344.427 1.985 40 0 EDABRO CCCn1ccnc1CN1CC[NH2+]C[C@H]1c1cccc(C(=O)NC)c1 ZINC000257286190 284132489 /nfs/dbraw/zinc/13/24/89/284132489.db2.gz PKRKPXYQDNCNAZ-KRWDZBQOSA-N 1 0 341.459 1.799 40 0 EDABRO O=C(C[N@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1)N1CCCC1 ZINC000257266456 244364352 /nfs/dbraw/zinc/36/43/52/244364352.db2.gz MDDDULMSAVTDQL-IRXDYDNUSA-N 1 0 336.407 1.652 40 0 EDABRO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000276270842 273157117 /nfs/dbraw/zinc/15/71/17/273157117.db2.gz QULCQCPWLNULGV-NLWGTHIKSA-N 1 0 345.487 1.615 40 0 EDABRO Cc1c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2oc(=O)c1CCO ZINC000001611480 440848621 /nfs/dbraw/zinc/84/86/21/440848621.db2.gz ZWHQQZPSNWXEQV-CYBMUJFWSA-N 1 0 335.400 1.374 40 0 EDABRO Cc1ccc(CNc2nc(CCC[NH+]3CCOCC3)cc(=O)[nH]2)cc1 ZINC000019210433 441255616 /nfs/dbraw/zinc/25/56/16/441255616.db2.gz NMAVLIBBNLFOQP-UHFFFAOYSA-N 1 0 342.443 1.955 40 0 EDABRO CN(CC[NH+]1CCCCC1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000036753055 441609537 /nfs/dbraw/zinc/60/95/37/441609537.db2.gz ABHVFGMUFSOVJB-KRWDZBQOSA-N 1 0 342.447 1.401 40 0 EDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]21)N1CCCC1 ZINC000096043321 441992936 /nfs/dbraw/zinc/99/29/36/441992936.db2.gz YCSLPMSAGXACIP-FGTMMUONSA-N 1 0 329.444 1.931 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCC(F)CC1 ZINC000096040780 441987000 /nfs/dbraw/zinc/98/70/00/441987000.db2.gz GJWXEGPDTULGBG-OLMNPRSZSA-N 1 0 347.434 1.737 40 0 EDABRO C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)COc1ccccc1 ZINC000096041498 441987972 /nfs/dbraw/zinc/98/79/72/441987972.db2.gz GKXKYWCGPXWMIN-YQVWRLOYSA-N 1 0 348.443 1.402 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 ZINC000096064488 442013381 /nfs/dbraw/zinc/01/33/81/442013381.db2.gz 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CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393249 442044468 /nfs/dbraw/zinc/04/44/68/442044468.db2.gz UGTVQOVFSHGLIE-JKSUJKDBSA-N 1 0 333.432 1.887 40 0 EDABRO [NH3+]CC(=O)N(Cc1ccccc1I)C1CC1 ZINC000079420862 442045709 /nfs/dbraw/zinc/04/57/09/442045709.db2.gz CDGGNTPGDKDPHS-UHFFFAOYSA-N 1 0 330.169 1.741 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)o1 ZINC000096159143 442049082 /nfs/dbraw/zinc/04/90/82/442049082.db2.gz NFWDDZPCUWQRFJ-UHFFFAOYSA-N 1 0 342.399 1.776 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)o1 ZINC000096160161 442050392 /nfs/dbraw/zinc/05/03/92/442050392.db2.gz BIQQNBMFXMHLAR-QGZVFWFLSA-N 1 0 348.443 1.675 40 0 EDABRO Cc1oncc1C(=O)N1CC[C@@H]2O[C@@H](COCC[NH+](C)C)CC[C@@H]21 ZINC000096186678 442062443 /nfs/dbraw/zinc/06/24/43/442062443.db2.gz AWYQIFYOCLSHON-KBMXLJTQSA-N 1 0 337.420 1.323 40 0 EDABRO Cn1cc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2cnn(C)c2)cn1 ZINC000096200250 442073893 /nfs/dbraw/zinc/07/38/93/442073893.db2.gz 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ZINC000257304792 443139189 /nfs/dbraw/zinc/13/91/89/443139189.db2.gz SNDVHKYGXSADEF-ZDUSSCGKSA-N 1 0 334.420 1.723 40 0 EDABRO O=C(C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)N1CCCC1 ZINC000257282370 443129116 /nfs/dbraw/zinc/12/91/16/443129116.db2.gz OTMQYNVHRBSVHR-FXAWDEMLSA-N 1 0 341.455 1.747 40 0 EDABRO CCCN1CCN(C(=O)c2cc([C@H]3CCC[N@H+](C)C3)nc(C)n2)CC1 ZINC000257284983 443130329 /nfs/dbraw/zinc/13/03/29/443130329.db2.gz PFDRLDWHTOEUAC-INIZCTEOSA-N 1 0 345.491 1.762 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306123753 444284578 /nfs/dbraw/zinc/28/45/78/444284578.db2.gz AVSCJEIGXWMWJL-HUUCEWRRSA-N 1 0 340.431 1.116 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306135105 444286558 /nfs/dbraw/zinc/28/65/58/444286558.db2.gz OHZIIQMCPVAGPQ-QWHCGFSZSA-N 1 0 329.404 1.314 40 0 EDABRO Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCCO)[nH+]1 ZINC000329063854 444462741 /nfs/dbraw/zinc/46/27/41/444462741.db2.gz XFTRMSKQIQQQIO-UHFFFAOYSA-N 1 0 342.443 1.979 40 0 EDABRO OCCCNc1nc(NCc2cccnc2)cc(-c2ccncc2)n1 ZINC000328995268 444438485 /nfs/dbraw/zinc/43/84/85/444438485.db2.gz JHXPXJYHEXELTF-UHFFFAOYSA-N 1 0 336.399 1.184 40 0 EDABRO COCCn1nccc1C(=O)N1CCC[C@@]2(CC[N@@H+]2CC(C)C)C1 ZINC000585102265 448686093 /nfs/dbraw/zinc/68/60/93/448686093.db2.gz VVDRERRREWDBCS-GOSISDBHSA-N 1 0 334.464 1.866 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCO[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000585269029 448716729 /nfs/dbraw/zinc/71/67/29/448716729.db2.gz IFDCJBUOKANSPX-GOSISDBHSA-N 1 0 336.407 1.054 40 0 EDABRO Cc1cnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2C[NH+]2CCCC2)cn1 ZINC000585094896 448676807 /nfs/dbraw/zinc/67/68/07/448676807.db2.gz SPWJJDGTHUSNLE-CQSZACIVSA-N 1 0 340.431 1.181 40 0 EDABRO Cc1nc(C(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCCCC2)c[nH]1 ZINC000585097416 448681267 /nfs/dbraw/zinc/68/12/67/448681267.db2.gz LMDRULDPMSGVMU-HNNXBMFYSA-N 1 0 342.447 1.815 40 0 EDABRO Cc1ccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2C[NH+](C)C)cc1 ZINC000585097807 448682229 /nfs/dbraw/zinc/68/22/29/448682229.db2.gz QOSRPTJKHUDOKP-MRXNPFEDSA-N 1 0 348.472 1.716 40 0 EDABRO CC(C)[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585284466 448731881 /nfs/dbraw/zinc/73/18/81/448731881.db2.gz FSTGIHUTPGTQQJ-RDJZCZTQSA-N 1 0 340.851 1.205 40 0 EDABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)c3ccncn3)CC2)cn1 ZINC000257263720 536054123 /nfs/dbraw/zinc/05/41/23/536054123.db2.gz LRDSLBCMRIHLBU-UHFFFAOYSA-N 1 0 340.431 1.423 40 0 EDABRO COc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1OC ZINC000217558984 536896778 /nfs/dbraw/zinc/89/67/78/536896778.db2.gz VOENMYALFVYTMT-GFCCVEGCSA-N 1 0 325.372 1.885 40 0 EDABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218095651 536948190 /nfs/dbraw/zinc/94/81/90/536948190.db2.gz LFYXCTKVCKRHEA-KSZLIROESA-N 1 0 347.436 1.572 40 0 EDABRO Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257203155 244123387 /nfs/dbraw/zinc/12/33/87/244123387.db2.gz AOWRZRULXKWBEK-GJZGRUSLSA-N 1 0 326.466 1.366 40 0 EDABRO C[C@@]1(C2CC[NH+](CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)O1 ZINC000257208570 244142350 /nfs/dbraw/zinc/14/23/50/244142350.db2.gz BMSHSQVHBPCFCQ-SFHVURJKSA-N 1 0 331.416 1.595 40 0 EDABRO [NH3+]CCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1 ZINC000257241284 244243954 /nfs/dbraw/zinc/24/39/54/244243954.db2.gz HXLKVFIZFXRQTQ-UHFFFAOYSA-N 1 0 327.388 1.067 40 0 EDABRO CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1O ZINC000257249597 244265668 /nfs/dbraw/zinc/26/56/68/244265668.db2.gz JJAKBPQOPPCIEX-IAGOWNOFSA-N 1 0 326.400 1.184 40 0 EDABRO CCn1cc(C(=O)N2C[C@@H](O)[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)cn1 ZINC000257255722 244282469 /nfs/dbraw/zinc/28/24/69/244282469.db2.gz KIPZNYHHGQXUDW-IAGOWNOFSA-N 1 0 346.406 1.359 40 0 EDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072880048 203248876 /nfs/dbraw/zinc/24/88/76/203248876.db2.gz FTOKQJYNGVOEGE-QGZVFWFLSA-N 1 0 329.444 1.767 40 0 EDABRO Cc1cc(C)nc(NCCC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000257275955 244390592 /nfs/dbraw/zinc/39/05/92/244390592.db2.gz NRRZCTBEQAURDG-SFHVURJKSA-N 1 0 349.479 1.201 40 0 EDABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccnn2C(C)C)c1 ZINC000257288934 244429086 /nfs/dbraw/zinc/42/90/86/244429086.db2.gz PWHSTRIRFOTDRL-GOSISDBHSA-N 1 0 341.459 1.970 40 0 EDABRO Cc1cnc(C(=O)N2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C)C2)cn1 ZINC000096064422 203817953 /nfs/dbraw/zinc/81/79/53/203817953.db2.gz MPSHOIPCFPFMLE-INMHGKMJSA-N 1 0 340.431 1.217 40 0 EDABRO c1ccc(CC[NH2+]C[C@H]2Cn3nnc(-c4cncnc4)c3CO2)cc1 ZINC000096199266 203862179 /nfs/dbraw/zinc/86/21/79/203862179.db2.gz ZLKCPZPFDZSZKE-INIZCTEOSA-N 1 0 336.399 1.466 40 0 EDABRO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](CCOCc3ccccc3)C[C@@H]2O1 ZINC000107714580 204245530 /nfs/dbraw/zinc/24/55/30/204245530.db2.gz VCLUNHBAVBSTDJ-BZSNNMDCSA-N 1 0 332.444 1.771 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306126104 257918219 /nfs/dbraw/zinc/91/82/19/257918219.db2.gz DNACZGGXNRWKSQ-UONOGXRCSA-N 1 0 343.406 1.471 40 0 EDABRO O=C(c1ncccn1)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1 ZINC000306141217 257924491 /nfs/dbraw/zinc/92/44/91/257924491.db2.gz VONRDTNPEOIZQB-OAHLLOKOSA-N 1 0 326.404 1.356 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218461965 276442738 /nfs/dbraw/zinc/44/27/38/276442738.db2.gz LMTPREMMWVSIDW-SGMGOOAPSA-N 1 0 331.821 1.359 40 0 EDABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)c2ccccc2)C3)CC1 ZINC000019711249 277035270 /nfs/dbraw/zinc/03/52/70/277035270.db2.gz MNLMEIKGIHTEIX-UHFFFAOYSA-N 1 0 325.416 1.743 40 0 EDABRO O=C(CN1CCN(C(=S)NC2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000035191201 295506572 /nfs/dbraw/zinc/50/65/72/295506572.db2.gz KTVGXOQCLJSFEW-HNNXBMFYSA-N 1 0 338.521 1.132 40 0 EDABRO COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC000002556601 440864183 /nfs/dbraw/zinc/86/41/83/440864183.db2.gz OYHZLGHNPPITIX-RYUDHWBXSA-N 1 0 330.425 1.140 40 0 EDABRO Cc1cc2nc(C3CC[NH+](Cc4cnc(N)nc4)CC3)cc(N)n2n1 ZINC000012121591 441127717 /nfs/dbraw/zinc/12/77/17/441127717.db2.gz KAESCPYVLUVIJC-UHFFFAOYSA-N 1 0 338.419 1.372 40 0 EDABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024676 441214230 /nfs/dbraw/zinc/21/42/30/441214230.db2.gz CUZJTCOREIJEIC-WNHURAKMSA-N 1 0 345.374 1.365 40 0 EDABRO Cc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000019567491 441257337 /nfs/dbraw/zinc/25/73/37/441257337.db2.gz IZBVKXPGWYFINJ-NMLACTOBSA-N 1 0 347.503 1.923 40 0 EDABRO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@H+](CCc1ccccc1)C2 ZINC000019713659 441259450 /nfs/dbraw/zinc/25/94/50/441259450.db2.gz RXGBZPDAIIUDIH-RTBURBONSA-N 1 0 329.444 1.288 40 0 EDABRO CC(=O)N[C@]12CN(C(=O)c3cc4ccccc4o3)C[C@H]1C[N@H+](C)CC2 ZINC000019713632 441259941 /nfs/dbraw/zinc/25/99/41/441259941.db2.gz GJEQRUUGUYRETC-DNVCBOLYSA-N 1 0 341.411 1.715 40 0 EDABRO COc1ccc(Cl)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000061524368 441275509 /nfs/dbraw/zinc/27/55/09/441275509.db2.gz AXKPRRDXMLSOHP-UHFFFAOYSA-N 1 0 325.840 1.716 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@@H]3C2)cn1 ZINC000096043335 441992322 /nfs/dbraw/zinc/99/23/22/441992322.db2.gz ZPRLWTIBIMDBOZ-IXDOHACOSA-N 1 0 332.448 1.316 40 0 EDABRO C[NH+](C)C[C@@H]1CC[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)O1 ZINC000096063340 442010488 /nfs/dbraw/zinc/01/04/88/442010488.db2.gz UCZOLNZMKRZQIS-DOTOQJQBSA-N 1 0 338.473 1.629 40 0 EDABRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096063667 442010792 /nfs/dbraw/zinc/01/07/92/442010792.db2.gz CRSZVAJJYLLFHX-BETUJISGSA-N 1 0 332.429 1.952 40 0 EDABRO C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 ZINC000096064428 442012625 /nfs/dbraw/zinc/01/26/25/442012625.db2.gz WTZVNZAEINKQMQ-VYDXJSESSA-N 1 0 325.416 1.513 40 0 EDABRO COC(=O)CCC(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2C1 ZINC000096080922 442023328 /nfs/dbraw/zinc/02/33/28/442023328.db2.gz LINUKFOVERJELM-HDICACEKSA-N 1 0 344.455 1.963 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)no1 ZINC000096110145 442036669 /nfs/dbraw/zinc/03/66/69/442036669.db2.gz UAEXEQFFXYBFCC-IAQYHMDHSA-N 1 0 341.358 1.345 40 0 EDABRO CCN(Cc1ccccc1I)C(=O)[C@H](C)[NH3+] ZINC000079420909 442045145 /nfs/dbraw/zinc/04/51/45/442045145.db2.gz ZOQPZSICBPMYBA-VIFPVBQESA-N 1 0 332.185 1.987 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079413164 442045383 /nfs/dbraw/zinc/04/53/83/442045383.db2.gz KCHHJARAPDCTCJ-CVEARBPZSA-N 1 0 333.432 1.839 40 0 EDABRO O=C(Cc1cccnc1)N1CCOC2(CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000096158986 442049174 /nfs/dbraw/zinc/04/91/74/442049174.db2.gz KVNXSOJDRJIOSY-KRWDZBQOSA-N 1 0 345.443 1.106 40 0 EDABRO CCC(=O)N1CCOC[C@@]2(CC[C@@H](C[N@H+](C)Cc3cccnc3)O2)C1 ZINC000096160655 442051089 /nfs/dbraw/zinc/05/10/89/442051089.db2.gz VYPVWYRKNIOFRU-PKOBYXMFSA-N 1 0 347.459 1.700 40 0 EDABRO C[N@@H+](Cc1cccnc1)C[C@H]1Cn2ccnc2CN(C(=O)C2CC2)C1 ZINC000096188697 442067216 /nfs/dbraw/zinc/06/72/16/442067216.db2.gz CBTZHGUBKNNAMS-INIZCTEOSA-N 1 0 339.443 1.779 40 0 EDABRO c1cc(CN2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)ccn1 ZINC000096202043 442078272 /nfs/dbraw/zinc/07/82/72/442078272.db2.gz DYCWPFUMKMSYNA-LJQANCHMSA-N 1 0 331.460 1.785 40 0 EDABRO CN(C)C(=O)NCC[C@@]12CCO[C@@H]1CC[N@H+](CC1CCOCC1)C2 ZINC000096208065 442083493 /nfs/dbraw/zinc/08/34/93/442083493.db2.gz UTYMBYDZKMXKCL-AEFFLSMTSA-N 1 0 339.480 1.555 40 0 EDABRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249617 442103309 /nfs/dbraw/zinc/10/33/09/442103309.db2.gz BGIKUCHIJBXTNH-HZPDHXFCSA-N 1 0 338.473 1.486 40 0 EDABRO C[NH+](C)C[C@@H]1CO[C@@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@H]12 ZINC000248031912 442878095 /nfs/dbraw/zinc/87/80/95/442878095.db2.gz UAWQWVYQIAOUNK-DAXOMENPSA-N 1 0 338.835 1.754 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(C[NH3+])CO)cc1 ZINC000252515405 443039377 /nfs/dbraw/zinc/03/93/77/443039377.db2.gz JPTPFODCTOUOQV-KURKYZTESA-N 1 0 331.437 1.872 40 0 EDABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(OC)cc1 ZINC000252515420 443039455 /nfs/dbraw/zinc/03/94/55/443039455.db2.gz JRWUAKGYPKIFDE-BZUAXINKSA-N 1 0 327.446 1.577 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(C[NH3+])CO)cc1 ZINC000252515404 443039532 /nfs/dbraw/zinc/03/95/32/443039532.db2.gz JPTPFODCTOUOQV-KSZLIROESA-N 1 0 331.437 1.872 40 0 EDABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(C)ncn1 ZINC000253477243 443072335 /nfs/dbraw/zinc/07/23/35/443072335.db2.gz DRUYRZUBJYLOAI-INIZCTEOSA-N 1 0 325.416 1.222 40 0 EDABRO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257286645 443131294 /nfs/dbraw/zinc/13/12/94/443131294.db2.gz PMJLRCRSIVRRSF-CQSZACIVSA-N 1 0 341.481 1.262 40 0 EDABRO CNc1ncccc1CN1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257287995 443132817 /nfs/dbraw/zinc/13/28/17/443132817.db2.gz PSICQRGWQVOOTG-MRXNPFEDSA-N 1 0 327.432 1.934 40 0 EDABRO Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257295559 443135898 /nfs/dbraw/zinc/13/58/98/443135898.db2.gz QYVVQYJZYAVZOG-CQSZACIVSA-N 1 0 340.493 1.332 40 0 EDABRO CC[NH+]1CCN(CC(=O)N2CCC(Cc3ccnc(C)c3)CC2)CC1 ZINC000257297857 443136286 /nfs/dbraw/zinc/13/62/86/443136286.db2.gz RJBOMDZINCLCMC-UHFFFAOYSA-N 1 0 344.503 1.809 40 0 EDABRO CC(C)[NH+]1CCN(CC(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257313975 443143578 /nfs/dbraw/zinc/14/35/78/443143578.db2.gz UUWRISOMGGFITL-MRXNPFEDSA-N 1 0 333.480 1.217 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](CO)N(C)c3ncccc3C2)CC1 ZINC000225493126 443108115 /nfs/dbraw/zinc/10/81/15/443108115.db2.gz AXTGZDPNDSZLGJ-KRWDZBQOSA-N 1 0 332.448 1.095 40 0 biogenic,in-vitro EDABRO C[C@@H]1C[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)C[C@@H](C)O1 ZINC000226170702 443120914 /nfs/dbraw/zinc/12/09/14/443120914.db2.gz RETOKUOVURNNNX-IIAWOOMASA-N 1 0 327.396 1.691 40 0 EDABRO CCCCc1ncc(C[N@@H+]2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)[nH]1 ZINC000257238855 443126013 /nfs/dbraw/zinc/12/60/13/443126013.db2.gz HMVDIWIQWLCXRS-VDZJLULYSA-N 1 0 348.491 1.946 40 0 EDABRO Cc1cc(C)n(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257338925 443154322 /nfs/dbraw/zinc/15/43/22/443154322.db2.gz YZLFWWMIOOOJSV-ZHALLVOQSA-N 1 0 348.491 1.774 40 0 EDABRO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](CC3CC3)C2)O1)c1ccno1 ZINC000306132568 444285968 /nfs/dbraw/zinc/28/59/68/444285968.db2.gz LMNIQHYJJBGXEL-RHSMWYFYSA-N 1 0 335.404 1.064 40 0 EDABRO CN(C)C(=O)COCC[C@H]1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000306135854 444286707 /nfs/dbraw/zinc/28/67/07/444286707.db2.gz PCYNLOWNZDVZCI-ULQDDVLXSA-N 1 0 333.432 1.023 40 0 EDABRO CCNc1nc(N2CCc3cc(C(=O)OC)ccc3C2)cc(C)[nH+]1 ZINC000328955920 444421636 /nfs/dbraw/zinc/42/16/36/444421636.db2.gz ADYVLQALLCBYIF-UHFFFAOYSA-N 1 0 326.400 2.566 40 0 EDABRO COc1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NCCO)n1)C2 ZINC000328991973 444436797 /nfs/dbraw/zinc/43/67/97/444436797.db2.gz IUELKHPFKCVQEY-UHFFFAOYSA-N 1 0 342.443 2.576 40 0 EDABRO Cc1c(I)c(-c2cccnc2)nn1CC[NH3+] ZINC000409443302 447685632 /nfs/dbraw/zinc/68/56/32/447685632.db2.gz KUOMQJNMGBULHD-UHFFFAOYSA-N 1 0 328.157 1.817 40 0 EDABRO CC(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106054 448687367 /nfs/dbraw/zinc/68/73/67/448687367.db2.gz HYKZELXHDXOWSL-HZPDHXFCSA-N 1 0 343.475 1.540 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](OCc1cccnc1)CCO2 ZINC000585093693 448676214 /nfs/dbraw/zinc/67/62/14/448676214.db2.gz HLFFKWNBURBWQK-MRXNPFEDSA-N 1 0 333.432 1.310 40 0 EDABRO C[NH+](C)CC(=O)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 ZINC000585095606 448678595 /nfs/dbraw/zinc/67/85/95/448678595.db2.gz ZTQXTIFFGGYTOP-MRXNPFEDSA-N 1 0 341.459 1.905 40 0 EDABRO Cn1cncc1C[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099326 448683830 /nfs/dbraw/zinc/68/38/30/448683830.db2.gz FBUUVMMFQBCKBT-MRXNPFEDSA-N 1 0 331.445 1.501 40 0 EDABRO CC(C)[N@@H+]1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 ZINC000585101541 448684830 /nfs/dbraw/zinc/68/48/30/448684830.db2.gz ZWONYUIKXMOPBM-KRWDZBQOSA-N 1 0 337.395 1.173 40 0 EDABRO C[NH+]1CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585278120 448727085 /nfs/dbraw/zinc/72/70/85/448727085.db2.gz ZUAFCXGNURXMPD-GOSISDBHSA-N 1 0 338.423 1.362 40 0 EDABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@](C)(C(N)=O)C3)CC2)cc1 ZINC000585282540 448731889 /nfs/dbraw/zinc/73/18/89/448731889.db2.gz GFHCDIMYOLAZFM-IBGZPJMESA-N 1 0 345.487 1.914 40 0 EDABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)CCF)C2)OC1 ZINC000575405934 449093106 /nfs/dbraw/zinc/09/31/06/449093106.db2.gz VDAPMIDYUPDUTQ-MRXNPFEDSA-N 1 0 335.423 1.881 40 0 EDABRO CC(C)n1nccc1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257208386 535146005 /nfs/dbraw/zinc/14/60/05/535146005.db2.gz BLYVXWRYNPCWRW-AWEZNQCLSA-N 1 0 331.420 1.651 40 0 EDABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008297978 560108418 /nfs/dbraw/zinc/10/84/18/560108418.db2.gz QXEXZUYMERZOBX-ZNMIVQPWSA-N 1 0 333.480 1.811 40 0 biogenic,in-vitro EDABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022515498 202086529 /nfs/dbraw/zinc/08/65/29/202086529.db2.gz RWRAEAHOYYNVDM-QGZVFWFLSA-N 1 0 337.439 1.737 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264407 202392130 /nfs/dbraw/zinc/39/21/30/202392130.db2.gz BRPAPPOOFUQKLQ-KURKYZTESA-N 1 0 344.386 1.474 40 0 biogenic,in-vitro EDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](CC3CCOCC3)C[C@H]21)N1CCCC1 ZINC000096058272 296039075 /nfs/dbraw/zinc/03/90/75/296039075.db2.gz IEGWPIMRHFCWNP-FGTMMUONSA-N 1 0 336.476 1.762 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]1(CCCc1cccnc1)C(=O)N(C)C ZINC000257214344 244160785 /nfs/dbraw/zinc/16/07/85/244160785.db2.gz CLQQKDDNJAZREO-IBGZPJMESA-N 1 0 346.475 1.415 40 0 EDABRO O=C([C@H]1C[N@H+](CC2CCOCC2)CC12CCOCC2)N1CCCC1 ZINC000096052196 296136381 /nfs/dbraw/zinc/13/63/81/296136381.db2.gz TULKHQCHNHCOPV-QGZVFWFLSA-N 1 0 336.476 1.764 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257219484 244178582 /nfs/dbraw/zinc/17/85/82/244178582.db2.gz DGXXUBCQZGLSDY-AWEZNQCLSA-N 1 0 329.404 1.584 40 0 EDABRO CC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257244431 244252223 /nfs/dbraw/zinc/25/22/23/244252223.db2.gz ILHCLFNEPXPFEA-BFYDXBDKSA-N 1 0 334.464 1.914 40 0 EDABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)[nH+]1 ZINC000257240344 244241702 /nfs/dbraw/zinc/24/17/02/244241702.db2.gz HTBXHDMMCVNJOG-AWEZNQCLSA-N 1 0 340.427 1.784 40 0 EDABRO CN(CCc1ccccn1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257240462 244242801 /nfs/dbraw/zinc/24/28/01/244242801.db2.gz HTOSCXNKDRSJIB-ZRNYENFQSA-N 1 0 341.455 1.854 40 0 EDABRO C[N@@H+]1CCC[C@H](Cc2cncc(C(=O)N3CCC(C(N)=O)CC3)c2)C1 ZINC000072365913 203207334 /nfs/dbraw/zinc/20/73/34/203207334.db2.gz GNSHACXRBZYLRH-CQSZACIVSA-N 1 0 344.459 1.303 40 0 EDABRO Cc1cccc(C(=O)N2C[C@@H](O)[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC000257254374 244279505 /nfs/dbraw/zinc/27/95/05/244279505.db2.gz KCTUEEDSHICVDP-QZTJIDSGSA-N 1 0 343.402 1.846 40 0 EDABRO Cc1nc2cc(C(=O)N[C@@H]3CCC[C@@H]([NH+]4CCCC4)[C@@H]3O)ccc2[nH]1 ZINC000257257588 244288786 /nfs/dbraw/zinc/28/87/86/244288786.db2.gz KQHKLXGQEUAXTA-KBAYOESNSA-N 1 0 342.443 1.979 40 0 EDABRO Cc1cccc(C[C@H]2COCCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000257267776 244367104 /nfs/dbraw/zinc/36/71/04/244367104.db2.gz MISCLGXOQQNIGZ-QGZVFWFLSA-N 1 0 331.460 1.893 40 0 EDABRO Cc1ncsc1C(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257267563 244368246 /nfs/dbraw/zinc/36/82/46/244368246.db2.gz MHVOWECEVOALTL-HUUCEWRRSA-N 1 0 349.431 1.908 40 0 EDABRO O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257262749 244352195 /nfs/dbraw/zinc/35/21/95/244352195.db2.gz LMROTAFDMQTIPH-IBGZPJMESA-N 1 0 332.444 1.774 40 0 EDABRO COc1ccc(C2(C(=O)N3CC[C@@](O)(C[NH+]4CCCC4)C3)CC2)cc1 ZINC000257274310 244389489 /nfs/dbraw/zinc/38/94/89/244389489.db2.gz NKLFCCTVNCNPJV-LJQANCHMSA-N 1 0 344.455 1.786 40 0 EDABRO C[NH+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000074921868 203297320 /nfs/dbraw/zinc/29/73/20/203297320.db2.gz LTKYBVYVKYQYPD-UHFFFAOYSA-N 1 0 339.461 1.153 40 0 EDABRO Cc1ccc2nc(C(=O)N3CC[C@](O)(C[NH+]4CCCC4)C3)cn2c1 ZINC000257326139 244535483 /nfs/dbraw/zinc/53/54/83/244535483.db2.gz WVZKHTFGPVDEHV-SFHVURJKSA-N 1 0 328.416 1.316 40 0 EDABRO CN(C)c1cc(NCc2cnc3n2CC[N@@H+](CC2CC2)CC3)ncn1 ZINC000104839393 204123601 /nfs/dbraw/zinc/12/36/01/204123601.db2.gz QWIZXCYZCVSIGZ-UHFFFAOYSA-N 1 0 341.463 1.619 40 0 EDABRO COc1ccccc1C[N@@H+]1C[C@H](C(=O)N2CCCC2)[C@H]2OCC[C@H]21 ZINC000108531342 204266290 /nfs/dbraw/zinc/26/62/90/204266290.db2.gz UVQMAHSTXFZVAO-LZLYRXPVSA-N 1 0 330.428 1.907 40 0 EDABRO CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC[NH2+]CC3)[C@H]2C1 ZINC000096156962 277019517 /nfs/dbraw/zinc/01/95/17/277019517.db2.gz UITNVWSBPYWCLW-OKZBNKHCSA-N 1 0 327.428 1.419 40 0 EDABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000012147570 280801076 /nfs/dbraw/zinc/80/10/76/280801076.db2.gz ULKNATITWNCXFT-UHFFFAOYSA-N 1 0 328.416 1.432 40 0 EDABRO Cc1cnc(C(=O)N2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)cn1 ZINC000012235115 281574115 /nfs/dbraw/zinc/57/41/15/281574115.db2.gz ZQMXFKUGLHIPAS-HNNXBMFYSA-N 1 0 326.400 1.750 40 0 EDABRO Cn1cc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)ccc1=O ZINC000012203835 441129587 /nfs/dbraw/zinc/12/95/87/441129587.db2.gz RMYRVJVFHKTRRO-AWEZNQCLSA-N 1 0 343.383 1.147 40 0 EDABRO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000097953378 441147299 /nfs/dbraw/zinc/14/72/99/441147299.db2.gz BSIHADTVJQLURU-SJLPKXTDSA-N 1 0 334.391 1.971 40 0 EDABRO Cc1ccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1C ZINC000028641069 441435379 /nfs/dbraw/zinc/43/53/79/441435379.db2.gz OUXIYNIACYHAQE-UHFFFAOYSA-N 1 0 329.444 1.957 40 0 EDABRO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2O1 ZINC000096043286 441991032 /nfs/dbraw/zinc/99/10/32/441991032.db2.gz OGDWLSIKFURXJF-QGTPRVQTSA-N 1 0 345.443 1.987 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC(=O)N(C)C)CO3)CC2)o1 ZINC000096047825 441995408 /nfs/dbraw/zinc/99/54/08/441995408.db2.gz WDFHIEAKECUVFR-MRXNPFEDSA-N 1 0 336.432 1.816 40 0 EDABRO COCC[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCOCC2)C1 ZINC000096039965 441986707 /nfs/dbraw/zinc/98/67/07/441986707.db2.gz WFMTUJDXUASOOA-ZWKOTPCHSA-N 1 0 327.465 1.947 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 ZINC000096040793 441987320 /nfs/dbraw/zinc/98/73/20/441987320.db2.gz JLSMHNPNKFAUDM-BMFZPTHFSA-N 1 0 335.404 1.231 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC000096057695 442004453 /nfs/dbraw/zinc/00/44/53/442004453.db2.gz LOWYRXSIGACIFV-NUEKZKHPSA-N 1 0 335.404 1.435 40 0 EDABRO C[NH+](C)CCOCc1nnn2c1CN(Cc1ccncc1)CCC2 ZINC000096058830 442006453 /nfs/dbraw/zinc/00/64/53/442006453.db2.gz HXMMJXYNXKUPKW-UHFFFAOYSA-N 1 0 330.436 1.157 40 0 EDABRO Cn1cc(CN2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cn1 ZINC000096057923 442006502 /nfs/dbraw/zinc/00/65/02/442006502.db2.gz LZNNCFANPYMJPK-RCCFBDPRSA-N 1 0 334.464 1.264 40 0 EDABRO CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccc(C)o1)C2 ZINC000096060862 442007986 /nfs/dbraw/zinc/00/79/86/442007986.db2.gz RADPTLDTQRLIHV-OAHLLOKOSA-N 1 0 347.463 1.877 40 0 EDABRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)o1 ZINC000096064464 442012755 /nfs/dbraw/zinc/01/27/55/442012755.db2.gz SEHLQGNIXYNZPA-ZTFGCOKTSA-N 1 0 348.443 1.395 40 0 EDABRO O=C(c1cnccn1)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096067899 442015543 /nfs/dbraw/zinc/01/55/43/442015543.db2.gz UXDJKYPVXDYAEO-UHFFFAOYSA-N 1 0 340.431 1.358 40 0 EDABRO CO[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096108559 442033677 /nfs/dbraw/zinc/03/36/77/442033677.db2.gz CLGDVSKYFLBAPF-CGTJXYLNSA-N 1 0 329.444 1.961 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096224682 442093242 /nfs/dbraw/zinc/09/32/42/442093242.db2.gz STHROBSLCBORLS-IBGZPJMESA-N 1 0 347.434 1.728 40 0 EDABRO CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)C[NH3+] ZINC000079392915 442044329 /nfs/dbraw/zinc/04/43/29/442044329.db2.gz HQQBSBJDMPDQRP-MRXNPFEDSA-N 1 0 333.432 1.985 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C ZINC000079420020 442046095 /nfs/dbraw/zinc/04/60/95/442046095.db2.gz YAJYAQFQXGKZGN-HOCLYGCPSA-N 1 0 333.432 1.839 40 0 EDABRO Cc1cccc(CN2CC[C@]3(CCN(C(=O)C[NH+](C)C)C3)C2=O)c1 ZINC000096159637 442049523 /nfs/dbraw/zinc/04/95/23/442049523.db2.gz OMTNVPJOIAFKSJ-LJQANCHMSA-N 1 0 329.444 1.508 40 0 EDABRO Cn1ccnc1C[NH+]1CCC2(CC1)CN(c1ncccn1)CCO2 ZINC000096159018 442049604 /nfs/dbraw/zinc/04/96/04/442049604.db2.gz RKHOAIJLJFRUJG-UHFFFAOYSA-N 1 0 328.420 1.082 40 0 EDABRO O=C(c1ccncc1F)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184467 442058133 /nfs/dbraw/zinc/05/81/33/442058133.db2.gz XHQDBYCYNCBCPY-IRXDYDNUSA-N 1 0 333.407 1.936 40 0 EDABRO Cc1ccoc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC000096185620 442059767 /nfs/dbraw/zinc/05/97/67/442059767.db2.gz ITPFLNDNKNNIEU-ILXRZTDVSA-N 1 0 329.404 1.415 40 0 EDABRO CN(C)C(=O)COCc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189393 442068137 /nfs/dbraw/zinc/06/81/37/442068137.db2.gz NEGUKHQVQXPTGM-UHFFFAOYSA-N 1 0 333.432 1.224 40 0 EDABRO O=C(c1ccoc1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096197567 442072394 /nfs/dbraw/zinc/07/23/94/442072394.db2.gz HMIGZIHZYMEFDY-UHFFFAOYSA-N 1 0 342.399 1.478 40 0 EDABRO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1 ZINC000096201701 442076426 /nfs/dbraw/zinc/07/64/26/442076426.db2.gz XMQVDGSNULWONQ-KUHUBIRLSA-N 1 0 347.459 1.601 40 0 EDABRO Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000096201965 442078103 /nfs/dbraw/zinc/07/81/03/442078103.db2.gz KWLFDKIKRZSFLK-INIZCTEOSA-N 1 0 342.436 1.477 40 0 EDABRO O=C(c1ccco1)N1CCO[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096206266 442078982 /nfs/dbraw/zinc/07/89/82/442078982.db2.gz NPEKPRXYQVJZTK-NVXWUHKLSA-N 1 0 327.384 1.648 40 0 EDABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cnnc4)CO3)C2)s1 ZINC000096240604 442099853 /nfs/dbraw/zinc/09/98/53/442099853.db2.gz BMIJFISDHZKRHU-NVXWUHKLSA-N 1 0 348.472 1.956 40 0 EDABRO CS(=O)(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096241249 442100163 /nfs/dbraw/zinc/10/01/63/442100163.db2.gz BAVQRHNBYMQSQU-GJZGRUSLSA-N 1 0 327.425 1.277 40 0 EDABRO CN(C)C(=O)COCC[C@@H]1CCOC2(C[NH+](C3CCOCC3)C2)C1 ZINC000247941438 442873815 /nfs/dbraw/zinc/87/38/15/442873815.db2.gz ADGKWRDJKKQYHW-OAHLLOKOSA-N 1 0 340.464 1.141 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccco3)C[C@H]12)c1cccnc1 ZINC000247413797 442853143 /nfs/dbraw/zinc/85/31/43/442853143.db2.gz PZDFWOWOEHCDSO-DJIMGWMZSA-N 1 0 327.384 1.551 40 0 EDABRO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccco3)cn2)CC1 ZINC000223902378 443094846 /nfs/dbraw/zinc/09/48/46/443094846.db2.gz HOTSIXLZOKIVLT-UHFFFAOYSA-N 1 0 331.445 1.913 40 0 EDABRO Cc1cc(C)nc(N2CC[C@H](O)[C@@H]([N@H+](C)C3CCOCC3)CC2)n1 ZINC000257291417 443133312 /nfs/dbraw/zinc/13/33/12/443133312.db2.gz QGWSQFJVKRPMIB-IRXDYDNUSA-N 1 0 334.464 1.534 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)c2c(C)oc3c2CCCC3)CC[N@H+](C)C1 ZINC000257299713 443136385 /nfs/dbraw/zinc/13/63/85/443136385.db2.gz RREHKDVOIOAUMT-ZDUSSCGKSA-N 1 0 333.432 1.217 40 0 EDABRO NC(=O)[C@H]1CN(CCc2ccc(F)cc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257309050 443141591 /nfs/dbraw/zinc/14/15/91/443141591.db2.gz TZHZXICUKNIDLU-INIZCTEOSA-N 1 0 349.450 1.266 40 0 EDABRO O=C(CCc1nc2ccccc2[nH]1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257314224 443143369 /nfs/dbraw/zinc/14/33/69/443143369.db2.gz UVXVEHBCQDHGFM-IBGZPJMESA-N 1 0 342.443 1.555 40 0 EDABRO COc1ncccc1C(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1C ZINC000257312614 443143778 /nfs/dbraw/zinc/14/37/78/443143778.db2.gz UOUIXOPXTNKLGQ-HNNXBMFYSA-N 1 0 341.415 1.885 40 0 EDABRO CNC(=O)[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)CC[N@H+](C)C1 ZINC000257318903 443145392 /nfs/dbraw/zinc/14/53/92/443145392.db2.gz VPWXRQKYHVNZJN-ZDUSSCGKSA-N 1 0 333.461 1.248 40 0 EDABRO Cc1cc(C)n(CC(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257233224 443126056 /nfs/dbraw/zinc/12/60/56/443126056.db2.gz GOIIKBBWDJQNFS-JFIYKMOQSA-N 1 0 334.464 1.384 40 0 EDABRO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3ccnc4ccnn43)CC2)C1 ZINC000257284289 443130401 /nfs/dbraw/zinc/13/04/01/443130401.db2.gz PCBKTXJWZNQPKF-OAHLLOKOSA-N 1 0 327.432 1.777 40 0 EDABRO c1cc2n(n1)C[C@H](CNc1ncccn1)C[N@H+](C1CCOCC1)C2 ZINC000306127751 444285824 /nfs/dbraw/zinc/28/58/24/444285824.db2.gz GGHUXYANSWWHJI-CQSZACIVSA-N 1 0 328.420 1.396 40 0 EDABRO CC(C)(C)Nc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1 ZINC000328996620 444438275 /nfs/dbraw/zinc/43/82/75/444438275.db2.gz JKQNGTXZCUFAGZ-UHFFFAOYSA-N 1 0 347.385 2.450 40 0 EDABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288994 448160467 /nfs/dbraw/zinc/16/04/67/448160467.db2.gz HWVNBWPPEFDGTO-QZTJIDSGSA-N 1 0 343.471 1.288 40 0 biogenic,in-vitro EDABRO C[N@@H+]1C[C@@H](COCc2ccncc2)CC12CN(c1ncc(F)cn1)C2 ZINC000585093726 448675979 /nfs/dbraw/zinc/67/59/79/448675979.db2.gz APRPCZXGPCDEAA-HNNXBMFYSA-N 1 0 343.406 1.738 40 0 EDABRO Cc1cccc(C(=O)N2Cc3ncn(C)c3C[C@H]2C[NH+]2CCCC2)n1 ZINC000585094817 448676858 /nfs/dbraw/zinc/67/68/58/448676858.db2.gz NURBIRGWDZCJJM-HNNXBMFYSA-N 1 0 339.443 1.786 40 0 EDABRO Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019234807 524340144 /nfs/dbraw/zinc/34/01/44/524340144.db2.gz KLOFAACFVGMOMR-MRXNPFEDSA-N 1 0 336.439 1.989 40 0 EDABRO C[C@@H](c1cc(=O)[nH]c(N(C)CC[NH+](C)C)n1)n1cnc2ccccc21 ZINC000019458298 202008343 /nfs/dbraw/zinc/00/83/43/202008343.db2.gz TZFFEMQMVYNUAM-ZDUSSCGKSA-N 1 0 340.431 1.727 40 0 EDABRO COc1cccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c1 ZINC000019565441 202010848 /nfs/dbraw/zinc/01/08/48/202010848.db2.gz JMFKXSZAMJJTLG-UHFFFAOYSA-N 1 0 349.394 1.794 40 0 EDABRO O=C(c1cc(Br)c(Br)[nH]1)N1CC[NH2+]CC1 ZINC000217655107 241266206 /nfs/dbraw/zinc/26/62/06/241266206.db2.gz GSZHJSDQBQICMY-UHFFFAOYSA-N 1 0 337.015 1.585 40 0 EDABRO [NH3+]C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218158599 241301239 /nfs/dbraw/zinc/30/12/39/241301239.db2.gz RVWGLINPBOCBGU-IAOVAPTHSA-N 1 0 331.393 1.930 40 0 EDABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(c1cnccn1)C2 ZINC000257201982 244122294 /nfs/dbraw/zinc/12/22/94/244122294.db2.gz AJYNFNLHKKLFSW-QRQLOZEOSA-N 1 0 337.427 1.522 40 0 EDABRO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@H+](Cc3cccc(O)c3)CC1)O2 ZINC000257211059 244151129 /nfs/dbraw/zinc/15/11/29/244151129.db2.gz BXIXYDPKHHAVCR-GOSISDBHSA-N 1 0 341.415 1.706 40 0 EDABRO CN([C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)S(=O)(=O)c1cccc(F)c1 ZINC000257224577 244194113 /nfs/dbraw/zinc/19/41/13/244194113.db2.gz FCJKVHNVMZTUKW-BZUAXINKSA-N 1 0 342.436 1.434 40 0 EDABRO Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072379016 203210016 /nfs/dbraw/zinc/21/00/16/203210016.db2.gz QLPBUXOXMZOEML-OAHLLOKOSA-N 1 0 327.432 1.843 40 0 EDABRO C[NH+](C)CC(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257256074 244280582 /nfs/dbraw/zinc/28/05/82/244280582.db2.gz KJZRSKISDHDOCJ-INIZCTEOSA-N 1 0 347.390 1.866 40 0 EDABRO Cc1ccc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)cc1 ZINC000257262336 244349832 /nfs/dbraw/zinc/34/98/32/244349832.db2.gz LKZKFZJXVSGIQO-ROUUACIJSA-N 1 0 331.460 1.208 40 0 EDABRO O=C(c1cccc(=O)[nH]1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257274899 244389853 /nfs/dbraw/zinc/38/98/53/244389853.db2.gz NNCVCHNZLXARAC-OAHLLOKOSA-N 1 0 341.358 1.095 40 0 EDABRO Cn1ccnc1CN1CC[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096062363 203815923 /nfs/dbraw/zinc/81/59/23/203815923.db2.gz FSMILTJBWXGWIS-IBGZPJMESA-N 1 0 341.459 1.540 40 0 EDABRO Cc1cccc(CN2CC3(CC[NH+]([C@H]4CCOC4)CC3)OCC2=O)n1 ZINC000096201462 203863684 /nfs/dbraw/zinc/86/36/84/203863684.db2.gz IRVGPVZRPXRZKZ-KRWDZBQOSA-N 1 0 345.443 1.372 40 0 EDABRO CS(=O)(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000107244607 204230920 /nfs/dbraw/zinc/23/09/20/204230920.db2.gz BAVQRHNBYMQSQU-HUUCEWRRSA-N 1 0 327.425 1.277 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000107710982 204245111 /nfs/dbraw/zinc/24/51/11/204245111.db2.gz PQTHIZFCXIFCRK-RBSFLKMASA-N 1 0 328.372 1.688 40 0 EDABRO c1cncc(CN2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738826 204246948 /nfs/dbraw/zinc/24/69/48/204246948.db2.gz QGXSIALJKWBLOP-OALUTQOASA-N 1 0 331.460 1.785 40 0 EDABRO c1cc(CN2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000107738833 204247719 /nfs/dbraw/zinc/24/77/19/204247719.db2.gz MDFLFNLRLXNNOU-RBUKOAKNSA-N 1 0 331.460 1.785 40 0 EDABRO CS(=O)(=O)N[C@@H]1CCOC2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000108527108 204265496 /nfs/dbraw/zinc/26/54/96/204265496.db2.gz RTJKXBQTJRZNLT-CYBMUJFWSA-N 1 0 344.502 1.811 40 0 EDABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)C[NH3+])cc1 ZINC000242750503 257683789 /nfs/dbraw/zinc/68/37/89/257683789.db2.gz ZOWPSFGVHIFVRO-ZACQAIPSSA-N 1 0 332.425 1.291 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306131705 257920791 /nfs/dbraw/zinc/92/07/91/257920791.db2.gz KNHVCEJYACAJCD-JKSUJKDBSA-N 1 0 339.443 1.721 40 0 EDABRO COc1ccc([C@@H]2CN(C3CC[NH+](C)CC3)CCN2C(C)=O)cc1 ZINC000257203427 286363545 /nfs/dbraw/zinc/36/35/45/286363545.db2.gz APZZUTVGGPJTEL-IBGZPJMESA-N 1 0 331.460 1.995 40 0 EDABRO O=C([C@@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@H]2O1)N1CCCCO1 ZINC000096066252 304388981 /nfs/dbraw/zinc/38/89/81/304388981.db2.gz FHAHZVHLBANZMY-YESZJQIVSA-N 1 0 337.464 1.116 40 0 EDABRO CN(C)c1nc2c(c(N3CCN(c4ccccc4)CC3)n1)C[NH2+]CC2 ZINC000035287384 273823896 /nfs/dbraw/zinc/82/38/96/273823896.db2.gz IKANKFHSUQHZDG-UHFFFAOYSA-N 1 0 338.459 1.515 40 0 EDABRO C[NH+]1CCC2(CC1)CN(C(=O)N1CCOCC1)Cc1ccccc12 ZINC000096242405 273872015 /nfs/dbraw/zinc/87/20/15/273872015.db2.gz QKMVHCKJVDPYPO-UHFFFAOYSA-N 1 0 329.444 1.918 40 0 EDABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1 ZINC000096036898 279082769 /nfs/dbraw/zinc/08/27/69/279082769.db2.gz LFWPVVJNEUSHNI-MRXNPFEDSA-N 1 0 346.475 1.851 40 0 EDABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C(=O)Nc2cccnc2)c1 ZINC000001716762 440852175 /nfs/dbraw/zinc/85/21/75/440852175.db2.gz PZRFTCRIFSOMON-UHFFFAOYSA-N 1 0 337.387 1.519 40 0 EDABRO Cn1c2ccc(C[N@H+](CCO)Cc3cccs3)cc2n(C)c1=O ZINC000013997556 441168983 /nfs/dbraw/zinc/16/89/83/441168983.db2.gz UAPISKJNRODSGD-UHFFFAOYSA-N 1 0 331.441 1.933 40 0 EDABRO CNS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000016740478 441231190 /nfs/dbraw/zinc/23/11/90/441231190.db2.gz FLGOFMKWZRXVEJ-UHFFFAOYSA-N 1 0 325.434 1.409 40 0 EDABRO O=C1CN(CC[NH+]2CCCCC2)CC(=O)N2Cc3ccccc3CN12 ZINC000019364785 441256612 /nfs/dbraw/zinc/25/66/12/441256612.db2.gz YHILIFSWFBZPBA-UHFFFAOYSA-N 1 0 342.443 1.074 40 0 EDABRO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21)N1CCCC1 ZINC000096043435 441992999 /nfs/dbraw/zinc/99/29/99/441992999.db2.gz TVMFDEGMCFNBHA-KZNAEPCWSA-N 1 0 329.444 1.931 40 0 EDABRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](CC1CC1)C2 ZINC000096050168 441998237 /nfs/dbraw/zinc/99/82/37/441998237.db2.gz AYWSDUBVSUWNJI-LJQANCHMSA-N 1 0 327.428 1.736 40 0 EDABRO O=C(NCc1ccco1)[C@H]1COC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096040753 441986357 /nfs/dbraw/zinc/98/63/57/441986357.db2.gz CZFIHSQTLJBMFV-OIISXLGYSA-N 1 0 330.384 1.883 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]21)c1ccno1 ZINC000096056285 442003041 /nfs/dbraw/zinc/00/30/41/442003041.db2.gz DGJUGKKWLKMVSP-OFQRWUPVSA-N 1 0 331.372 1.535 40 0 EDABRO Cc1ccc(CN2CCn3c(CN4CC[NH+](C)CC4)cnc3C2)o1 ZINC000096061797 442009423 /nfs/dbraw/zinc/00/94/23/442009423.db2.gz ULCZIZBSQIARID-UHFFFAOYSA-N 1 0 329.448 1.548 40 0 EDABRO Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2ccc(F)cc2)C3)cn1 ZINC000096061016 442008284 /nfs/dbraw/zinc/00/82/84/442008284.db2.gz HMZVDAUICOXTKO-HNNXBMFYSA-N 1 0 342.378 1.506 40 0 EDABRO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@H+](CCOCc1ccccc1)C2 ZINC000096064830 442013366 /nfs/dbraw/zinc/01/33/66/442013366.db2.gz JKLDROIMWPDKLT-IEBWSBKVSA-N 1 0 332.444 1.772 40 0 EDABRO Cn1ccnc1CN1CC[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096062348 442010020 /nfs/dbraw/zinc/01/00/20/442010020.db2.gz PFNNDBDPHJQIJU-GOSISDBHSA-N 1 0 330.432 1.738 40 0 EDABRO C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccccn3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064217 442011238 /nfs/dbraw/zinc/01/12/38/442011238.db2.gz HBUGPYNUZBAVSQ-LPHOPBHVSA-N 1 0 346.475 1.242 40 0 EDABRO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC000096108708 442033191 /nfs/dbraw/zinc/03/31/91/442033191.db2.gz UGPDPQQYZNIJAH-CJNGLKHVSA-N 1 0 339.461 1.005 40 0 EDABRO CCOCC(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCc1ccccn1 ZINC000096220599 442091311 /nfs/dbraw/zinc/09/13/11/442091311.db2.gz FBCUYMPKHLORKL-VQIMIIECSA-N 1 0 347.459 1.415 40 0 EDABRO CN(C)C(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCc1ccccn1 ZINC000096220175 442091717 /nfs/dbraw/zinc/09/17/17/442091717.db2.gz GYZLOHWPEYZQFF-CRAIPNDOSA-N 1 0 332.448 1.534 40 0 EDABRO COCC[NH+]1CCC2(CC1)COCCN2Cc1csc(C)n1 ZINC000096226196 442094139 /nfs/dbraw/zinc/09/41/39/442094139.db2.gz ZXTMQAYMKNGVMU-UHFFFAOYSA-N 1 0 325.478 1.765 40 0 EDABRO O=C(c1ccoc1)N1CC[N@@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183480 442056469 /nfs/dbraw/zinc/05/64/69/442056469.db2.gz YQPFYCJUSSRVKI-DLBZAZTESA-N 1 0 327.384 1.790 40 0 EDABRO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCOCC2)O1 ZINC000096187278 442064250 /nfs/dbraw/zinc/06/42/50/442064250.db2.gz NTBBLMGTNKVCIA-BRWVUGGUSA-N 1 0 334.416 1.697 40 0 EDABRO Cc1cccc(S(=O)(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC000096188247 442065989 /nfs/dbraw/zinc/06/59/89/442065989.db2.gz FQNSKITUNGASSB-OAHLLOKOSA-N 1 0 348.472 1.574 40 0 EDABRO Cc1nc2nnc3ccc(C(=O)NC4CC4)cc3c2n1CC[NH+](C)C ZINC000096264284 442109051 /nfs/dbraw/zinc/10/90/51/442109051.db2.gz NNWNDDHQMMBMFR-UHFFFAOYSA-N 1 0 338.415 1.742 40 0 EDABRO Cc1cc(C[N@@H+]2CCOC[C@]3(CC[C@@H](Cn4cncn4)O3)C2)oc1C ZINC000247907852 442872793 /nfs/dbraw/zinc/87/27/93/442872793.db2.gz KMMAJRXHWLNABL-WMZOPIPTSA-N 1 0 346.431 1.938 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)cn1 ZINC000248125681 442882961 /nfs/dbraw/zinc/88/29/61/442882961.db2.gz LOAYWYWCYOYIPC-YQQAZPJKSA-N 1 0 344.415 1.280 40 0 EDABRO CC(C)[NH+]1CCN(CC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 ZINC000257228975 443125266 /nfs/dbraw/zinc/12/52/66/443125266.db2.gz FWBHLZHHEOJCCL-INIZCTEOSA-N 1 0 331.464 1.209 40 0 EDABRO C[NH+](C)[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1O ZINC000257231492 443125353 /nfs/dbraw/zinc/12/53/53/443125353.db2.gz GGYMYAMKQPKHRZ-ROUUACIJSA-N 1 0 330.432 1.069 40 0 EDABRO CN(C)C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306142113 444287753 /nfs/dbraw/zinc/28/77/53/444287753.db2.gz WPTSCTZRZCPUTK-QGPMSJSTSA-N 1 0 342.443 1.886 40 0 EDABRO FC(F)(F)c1cc(NCCC2CC[NH2+]CC2)nc(NC2CC2)n1 ZINC000329002771 444440893 /nfs/dbraw/zinc/44/08/93/444440893.db2.gz KITHCXRGHBDNPI-UHFFFAOYSA-N 1 0 329.370 1.715 40 0 EDABRO C[N@@H+]1C[C@@H](COCc2ccccn2)CC12CN(c1ncccn1)C2 ZINC000585093742 448675639 /nfs/dbraw/zinc/67/56/39/448675639.db2.gz BUBJSZBGDLOJBE-HNNXBMFYSA-N 1 0 325.416 1.599 40 0 EDABRO CCCC[NH2+]C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O ZINC000585286384 448732902 /nfs/dbraw/zinc/73/29/02/448732902.db2.gz QJMUHSUSBUUVDW-WBVHZDCISA-N 1 0 340.851 1.668 40 0 EDABRO Cc1nccc(C[C@H]2[C@H]([NH2+]CC3CCCCC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382416 449220029 /nfs/dbraw/zinc/22/00/29/449220029.db2.gz RNQLCDUUPDEFFL-NCXUSEDFSA-N 1 0 333.476 1.855 40 0 biogenic,in-vitro EDABRO CCCCCC[NH+]1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1COCCN12 ZINC000604381843 449220453 /nfs/dbraw/zinc/22/04/53/449220453.db2.gz RINALGBCRKBTMV-QGZVFWFLSA-N 1 0 337.508 1.820 40 0 biogenic,in-vitro EDABRO COCc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1 ZINC000257222786 536761636 /nfs/dbraw/zinc/76/16/36/536761636.db2.gz DURPNEFJKPQCLD-KZNAEPCWSA-N 1 0 332.444 1.941 40 0 EDABRO COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)C1CC[NH2+]CC1 ZINC000257212030 537105205 /nfs/dbraw/zinc/10/52/05/537105205.db2.gz CBPMUMXHPTYOGB-INIZCTEOSA-N 1 0 340.427 1.975 40 0 EDABRO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CCO)on3)C2(C)C)CC1 ZINC000067890196 215242204 /nfs/dbraw/zinc/24/22/04/215242204.db2.gz TXCNHDAIIUPUHJ-KDOFPFPSSA-N 1 0 349.475 1.767 40 0 biogenic,in-vitro EDABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581867 202013950 /nfs/dbraw/zinc/01/39/50/202013950.db2.gz IQHUNDHZBMQYAA-RDJZCZTQSA-N 1 0 344.459 1.373 40 0 EDABRO c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N2CCCC2)n1 ZINC000022038451 202077691 /nfs/dbraw/zinc/07/76/91/202077691.db2.gz XBWGYCSWLWDOOC-KRWDZBQOSA-N 1 0 331.464 1.373 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C[NH3+])CO ZINC000218203967 241306603 /nfs/dbraw/zinc/30/66/03/241306603.db2.gz GISYQPJWARCQMP-YNEHKIRRSA-N 1 0 348.262 1.287 40 0 EDABRO Cc1nc([C@@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)cc(=O)[nH]1 ZINC000257218599 244175059 /nfs/dbraw/zinc/17/50/59/244175059.db2.gz DDTKWVRPNACWHF-HNNXBMFYSA-N 1 0 334.420 1.265 40 0 EDABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cscn3)CC2)OC[C@]1(C)O ZINC000257208302 244139630 /nfs/dbraw/zinc/13/96/30/244139630.db2.gz BLNTUTQJIVNAGB-ZFWWWQNUSA-N 1 0 339.461 1.219 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cc(C)cs3)CC2)OC[C@]1(C)O ZINC000257212855 244157263 /nfs/dbraw/zinc/15/72/63/244157263.db2.gz CFFQDSBLAOTVLS-HOCLYGCPSA-N 1 0 338.473 1.791 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@H]1c1ccnc(Nc2ccc(C)cn2)n1 ZINC000072383014 203210101 /nfs/dbraw/zinc/21/01/01/203210101.db2.gz LZMHAGTUKHOSEA-AWEZNQCLSA-N 1 0 326.404 1.807 40 0 EDABRO Nc1nccc([C@H]2CCCN(C(=O)[C@H]([NH3+])Cc3ccc(F)cc3)C2)n1 ZINC000072355912 203204253 /nfs/dbraw/zinc/20/42/53/203204253.db2.gz IRERDQVPLDZDCY-DZGCQCFKSA-N 1 0 343.406 1.474 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)[nH+]1 ZINC000257252634 244272615 /nfs/dbraw/zinc/27/26/15/244272615.db2.gz JVMZEVUCKCWDIC-INIZCTEOSA-N 1 0 329.404 1.238 40 0 EDABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)nc(N)n1 ZINC000257257675 244286664 /nfs/dbraw/zinc/28/66/64/244286664.db2.gz KQRHOJKGNRXTIU-WLLUSJSYSA-N 1 0 329.448 1.845 40 0 EDABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)n1 ZINC000257268049 244365862 /nfs/dbraw/zinc/36/58/62/244365862.db2.gz MJZYBDUQJMFZTP-NEPJUHHUSA-N 1 0 331.338 1.743 40 0 EDABRO Cc1ccn(CCC(=O)N2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)n1 ZINC000257262284 244350712 /nfs/dbraw/zinc/35/07/12/244350712.db2.gz LKVMPNZVSIJCSR-INIZCTEOSA-N 1 0 329.404 1.467 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 ZINC000096108480 203837487 /nfs/dbraw/zinc/83/74/87/203837487.db2.gz YFFAITCWDSCYIC-WBMJQRKESA-N 1 0 348.428 1.318 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)cn1 ZINC000096157504 203845505 /nfs/dbraw/zinc/84/55/05/203845505.db2.gz DULPDWMTMDHKGK-UHFFFAOYSA-N 1 0 340.431 1.338 40 0 EDABRO Cc1cc(C(=O)N2CCc3ncc(C[NH+]4CCCCC4)n3CC2)no1 ZINC000096067901 203820730 /nfs/dbraw/zinc/82/07/30/203820730.db2.gz YLQWVGQZAFFBBR-UHFFFAOYSA-N 1 0 343.431 1.864 40 0 EDABRO Cn1nccc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108524641 204265617 /nfs/dbraw/zinc/26/56/17/204265617.db2.gz AQPVUJCFGMHZIS-HNNXBMFYSA-N 1 0 342.447 1.836 40 0 EDABRO C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)CC1 ZINC000015674628 211841976 /nfs/dbraw/zinc/84/19/76/211841976.db2.gz FUPUOGWPQJMBTN-SJORKVTESA-N 1 0 342.443 1.862 40 0 biogenic,in-vitro EDABRO O=C1CCCN1C[C@@H]1Cn2ccnc2C[N@H+](CC2CCOCC2)C1 ZINC000096188466 296319884 /nfs/dbraw/zinc/31/98/84/296319884.db2.gz MWQFVQGOHZVOPI-INIZCTEOSA-N 1 0 332.448 1.364 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065018 289170914 /nfs/dbraw/zinc/17/09/14/289170914.db2.gz DPBVLBJZRJBCRS-AEFFLSMTSA-N 1 0 348.447 1.066 40 0 EDABRO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]CCOC)CCCC2 ZINC000004860191 440930336 /nfs/dbraw/zinc/93/03/36/440930336.db2.gz HULRWKHGIRQADX-UHFFFAOYSA-N 1 0 340.445 1.978 40 0 EDABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)N1CCOCC1 ZINC000012113972 441127266 /nfs/dbraw/zinc/12/72/66/441127266.db2.gz BWTBPUBXOSXWAX-UHFFFAOYSA-N 1 0 332.400 1.454 40 0 EDABRO CC(C)C(=O)N1CC[N@H+](Cc2cccs2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000097952744 441147222 /nfs/dbraw/zinc/14/72/22/441147222.db2.gz PEFFPHAECLPPDW-SFHVURJKSA-N 1 0 349.500 1.897 40 0 EDABRO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@@H]2O1 ZINC000096043277 441991692 /nfs/dbraw/zinc/99/16/92/441991692.db2.gz VBAFLGSXVSUPCG-JQHSSLGASA-N 1 0 345.443 1.926 40 0 EDABRO O=C(N1CCCC1)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1 ZINC000096052050 441999332 /nfs/dbraw/zinc/99/93/32/441999332.db2.gz XFPOZRIMDGRQFK-AEFFLSMTSA-N 1 0 337.464 1.406 40 0 EDABRO Cc1ccc(N2C[C@@]3(COCC[N@H+](CC4CC4)C3)OCC2=O)s1 ZINC000096051473 441999474 /nfs/dbraw/zinc/99/94/74/441999474.db2.gz TVOYRTUTXJRKHF-KRWDZBQOSA-N 1 0 336.457 1.901 40 0 EDABRO CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096036741 441984333 /nfs/dbraw/zinc/98/43/33/441984333.db2.gz AMJUKPDUCQCNDZ-AWEZNQCLSA-N 1 0 330.388 1.112 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039547 441985439 /nfs/dbraw/zinc/98/54/39/441985439.db2.gz VUDCCYSVOXEDQX-PKOBYXMFSA-N 1 0 347.459 1.671 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)o1 ZINC000096040843 441987473 /nfs/dbraw/zinc/98/74/73/441987473.db2.gz CLIAOQYVFIVZOA-NUJGCVRESA-N 1 0 348.443 1.531 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000096057311 442005571 /nfs/dbraw/zinc/00/55/71/442005571.db2.gz GVPGDFPYPRFTDQ-ZACQAIPSSA-N 1 0 331.416 1.330 40 0 EDABRO Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](Cc2ccco2)CC3)cn1 ZINC000096061511 442009239 /nfs/dbraw/zinc/00/92/39/442009239.db2.gz SGJRWZWJRNSONI-MRXNPFEDSA-N 1 0 328.416 1.994 40 0 EDABRO Cc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)s1 ZINC000096061014 442008798 /nfs/dbraw/zinc/00/87/98/442008798.db2.gz BQEGBZOSFDPWIR-CYBMUJFWSA-N 1 0 344.444 1.737 40 0 EDABRO Cc1noc(C)c1CN1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062327 442010080 /nfs/dbraw/zinc/01/00/80/442010080.db2.gz FWSAZUCCAKYOGI-IBGZPJMESA-N 1 0 349.475 1.995 40 0 EDABRO COc1ncccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC000096064386 442013014 /nfs/dbraw/zinc/01/30/14/442013014.db2.gz ONFQWJSAOARTRG-IKGGRYGDSA-N 1 0 342.447 1.277 40 0 EDABRO CN1CCN([C@@H]2CC[N@H+](C[C@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070041 442017169 /nfs/dbraw/zinc/01/71/69/442017169.db2.gz HARQSXIXHFXPSW-AQNXPRMDSA-N 1 0 344.503 1.351 40 0 EDABRO c1csc(CN2Cc3nccn3C[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000096066993 442014539 /nfs/dbraw/zinc/01/45/39/442014539.db2.gz RPCARTNILKYGLN-HNNXBMFYSA-N 1 0 332.473 1.909 40 0 EDABRO Cn1cc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cn1 ZINC000096106682 442031025 /nfs/dbraw/zinc/03/10/25/442031025.db2.gz HUYSCPBDJXRIMC-SFHVURJKSA-N 1 0 349.475 1.987 40 0 EDABRO O=C(C1CCOCC1)N1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC000096108000 442032349 /nfs/dbraw/zinc/03/23/49/442032349.db2.gz FQEYNPSTRRZTFZ-ZWKOTPCHSA-N 1 0 336.476 1.762 40 0 EDABRO CN(c1ncccn1)[C@@H]1CO[C@]2(CC[N@H+](Cc3cncn3C)C2)C1 ZINC000096219785 442090204 /nfs/dbraw/zinc/09/02/04/442090204.db2.gz HSRVEPUIZZWXEP-WMLDXEAASA-N 1 0 328.420 1.080 40 0 EDABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)c1ccncn1)CC2 ZINC000096219273 442090627 /nfs/dbraw/zinc/09/06/27/442090627.db2.gz ZHFWPPFMBDYXEO-MRXNPFEDSA-N 1 0 344.459 1.830 40 0 EDABRO O=C(C[C@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12)NCc1ccco1 ZINC000096219579 442090851 /nfs/dbraw/zinc/09/08/51/442090851.db2.gz VRQQTRVCAOXNBP-CGTJXYLNSA-N 1 0 348.443 1.659 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000079428173 442047379 /nfs/dbraw/zinc/04/73/79/442047379.db2.gz CUCHXCUJNJXXAM-CVEARBPZSA-N 1 0 333.432 1.887 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)cn1 ZINC000096158187 442048242 /nfs/dbraw/zinc/04/82/42/442048242.db2.gz GSTOKQKBFMGZCR-SFHVURJKSA-N 1 0 340.431 1.338 40 0 EDABRO O=C([C@H]1CCOC1)N1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096157574 442048587 /nfs/dbraw/zinc/04/85/87/442048587.db2.gz YJUDTJSGYGBTER-INIZCTEOSA-N 1 0 329.444 1.933 40 0 EDABRO C[NH+](C)C[C@H]1OC[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@H]12 ZINC000096185252 442059362 /nfs/dbraw/zinc/05/93/62/442059362.db2.gz JAVKLXWTJPRCGF-YESZJQIVSA-N 1 0 338.473 1.415 40 0 EDABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](CC3CCOCC3)CC[C@H]21)c1ccno1 ZINC000096185343 442059457 /nfs/dbraw/zinc/05/94/57/442059457.db2.gz QEZOHFJCJJTCMF-INMHGKMJSA-N 1 0 349.431 1.168 40 0 EDABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1cccc(F)c1)C2 ZINC000096201992 442078343 /nfs/dbraw/zinc/07/83/43/442078343.db2.gz QNJBMURQSTVCLS-SFHVURJKSA-N 1 0 336.407 1.637 40 0 EDABRO COCC(=O)N1CCOC[C@]2(C[N@H+](Cc3cccs3)C[C@H]2C)C1 ZINC000096202401 442078850 /nfs/dbraw/zinc/07/88/50/442078850.db2.gz QMTJOQLVNUQXQY-PBHICJAKSA-N 1 0 338.473 1.691 40 0 EDABRO CN(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cnn(C)c3)C2)O1 ZINC000096206716 442080777 /nfs/dbraw/zinc/08/07/77/442080777.db2.gz YCHUNQVIJLDEIJ-DOTOQJQBSA-N 1 0 335.452 1.205 40 0 EDABRO O=C(C[C@H]1OC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]21)Nc1cccnc1 ZINC000096207595 442081216 /nfs/dbraw/zinc/08/12/16/442081216.db2.gz ZVNACQAUJJCODB-ZTFGCOKTSA-N 1 0 345.443 1.926 40 0 EDABRO O=C1CCC2(CCN(c3ncc(F)cn3)CC2)N1CC[NH+]1CCCC1 ZINC000096228139 442096018 /nfs/dbraw/zinc/09/60/18/442096018.db2.gz IAUNZUBZRNHVSA-UHFFFAOYSA-N 1 0 347.438 1.673 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)cn1 ZINC000096216068 442087644 /nfs/dbraw/zinc/08/76/44/442087644.db2.gz QBPWJRJGVHBMKH-OWCLPIDISA-N 1 0 346.456 1.245 40 0 EDABRO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4cccs4)C3)N(C)CC2=O)cn1 ZINC000096230531 442097045 /nfs/dbraw/zinc/09/70/45/442097045.db2.gz FLYNVBZWLAKHLI-KRWDZBQOSA-N 1 0 345.472 1.405 40 0 EDABRO Cc1cncc(C(=O)N2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)c1 ZINC000248037495 442878579 /nfs/dbraw/zinc/87/85/79/442878579.db2.gz VANMMGLKMMSREL-FUHWJXTLSA-N 1 0 333.432 1.342 40 0 EDABRO O=C1CCCN1CC[C@H]1Cn2nccc2C[N@@H+](C2CCOCC2)C1 ZINC000253616742 443075207 /nfs/dbraw/zinc/07/52/07/443075207.db2.gz KYGGKHDIYNPCPL-OAHLLOKOSA-N 1 0 332.448 1.506 40 0 EDABRO Cn1cc(C(=O)N2CC[C@@](O)(C[N@H+](C)Cc3ccc(F)cc3)C2)cn1 ZINC000257303465 443138553 /nfs/dbraw/zinc/13/85/53/443138553.db2.gz SHIWNBQZSXSLHE-GOSISDBHSA-N 1 0 346.406 1.268 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257233764 443125291 /nfs/dbraw/zinc/12/52/91/443125291.db2.gz GQQBVDNTSGLYGC-CYBMUJFWSA-N 1 0 327.392 1.202 40 0 EDABRO C[N@@H+]1CCN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccccc1 ZINC000257280841 443127929 /nfs/dbraw/zinc/12/79/29/443127929.db2.gz OMQFXLVFCFAJRG-KRWDZBQOSA-N 1 0 337.489 1.399 40 0 EDABRO C[NH+](C)Cc1cnc(CC2CCN(C(=O)c3ccon3)CC2)cn1 ZINC000257279936 443128006 /nfs/dbraw/zinc/12/80/06/443128006.db2.gz OIUAHOALWYZLTH-UHFFFAOYSA-N 1 0 329.404 1.621 40 0 EDABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)Cn1cccn1 ZINC000257339488 443154056 /nfs/dbraw/zinc/15/40/56/443154056.db2.gz ZBYUIPXLPHVFCR-RWQQGDIJSA-N 1 0 348.491 1.746 40 0 EDABRO Cc1ccc2nc(C(=O)N[C@@H]3CC[C@@H]([NH+]4CCCC4)[C@@H]3O)cn2c1 ZINC000257341199 443154961 /nfs/dbraw/zinc/15/49/61/443154961.db2.gz ZJHJWNNIAWBJCU-FRFSOERESA-N 1 0 328.416 1.360 40 0 EDABRO CC(C)n1cnc([C@@H]2C[NH2+]C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306133237 444286104 /nfs/dbraw/zinc/28/61/04/444286104.db2.gz MGFNRAPIDQLVLY-LPHOPBHVSA-N 1 0 339.443 1.965 40 0 EDABRO Cc1nc(C(=O)N2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)cs1 ZINC000306136665 444286733 /nfs/dbraw/zinc/28/67/33/444286733.db2.gz PZMHSZPHHXRCSC-BBRMVZONSA-N 1 0 339.461 1.403 40 0 EDABRO O=C(N[C@H]1CCOC[C@@]12CC[N@H+](Cc1ccccn1)C2)N1CCCC1 ZINC000306135691 444286766 /nfs/dbraw/zinc/28/67/66/444286766.db2.gz OXXQELVUKWZOGS-HKUYNNGSSA-N 1 0 344.459 1.868 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140644 444287571 /nfs/dbraw/zinc/28/75/71/444287571.db2.gz UZKGBXJSARIRKO-STQMWFEESA-N 1 0 345.472 1.782 40 0 EDABRO Cc1ccccc1C(=O)N1C[C@H]2CN(CC[NH+]3CCCC3)C(=O)[C@H]2C1 ZINC000585107370 448688424 /nfs/dbraw/zinc/68/84/24/448688424.db2.gz UWMULZVERQCNAH-AEFFLSMTSA-N 1 0 341.455 1.621 40 0 EDABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CCCCC1 ZINC000585275720 448720653 /nfs/dbraw/zinc/72/06/53/448720653.db2.gz ABPAADRCBMXRNJ-IBGZPJMESA-N 1 0 335.444 1.824 40 0 EDABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CCCCC1 ZINC000585275723 448720727 /nfs/dbraw/zinc/72/07/27/448720727.db2.gz ABPAADRCBMXRNJ-LJQANCHMSA-N 1 0 335.444 1.824 40 0 EDABRO Cc1cccnc1CN1CC2(C1)C[C@H](COCC(=O)N(C)C)C[N@@H+]2C ZINC000585093922 448677099 /nfs/dbraw/zinc/67/70/99/448677099.db2.gz PSAKBSPGYLTGPM-INIZCTEOSA-N 1 0 346.475 1.001 40 0 EDABRO O=C(c1ccc(F)c(F)c1)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093876 448677418 /nfs/dbraw/zinc/67/74/18/448677418.db2.gz MEZZCCYKDQTTMO-CYBMUJFWSA-N 1 0 336.382 1.884 40 0 EDABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)CCN2CCOCC2)n1 ZINC000257199659 282149780 /nfs/dbraw/zinc/14/97/80/282149780.db2.gz AAIQMEBQUZJRPR-GOSISDBHSA-N 1 0 346.475 1.529 40 0 EDABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)c2cccnc21 ZINC000019370080 202005447 /nfs/dbraw/zinc/00/54/47/202005447.db2.gz DBKGDLIREYQYFX-MRXNPFEDSA-N 1 0 349.438 1.949 40 0 EDABRO CN(CC[NH+]1CCCCC1)C(=O)CCn1c2ccccc2oc1=O ZINC000019657695 202015227 /nfs/dbraw/zinc/01/52/27/202015227.db2.gz AYFGISPSNALEQM-UHFFFAOYSA-N 1 0 331.416 1.929 40 0 EDABRO COc1cccc(CC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257206035 244133057 /nfs/dbraw/zinc/13/30/57/244133057.db2.gz BBOLRFKESIZWPA-ZHALLVOQSA-N 1 0 332.444 1.684 40 0 EDABRO COCC[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072383545 203211084 /nfs/dbraw/zinc/21/10/84/203211084.db2.gz SCHBZRQDYACTHJ-UHFFFAOYSA-N 1 0 328.420 1.911 40 0 EDABRO NC(=O)c1cnn2c1nccc2C1CC[NH+](Cc2ccccn2)CC1 ZINC000257251784 244270920 /nfs/dbraw/zinc/27/09/20/244270920.db2.gz JSFGKVARARWDPW-UHFFFAOYSA-N 1 0 336.399 1.603 40 0 EDABRO COc1cccc([C@H]2CN(C(=O)c3cnn(C)c3)[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000257255017 244280077 /nfs/dbraw/zinc/28/00/77/244280077.db2.gz KFTSIUSEKSXENP-KZNAEPCWSA-N 1 0 340.427 1.646 40 0 EDABRO O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257265244 244357403 /nfs/dbraw/zinc/35/74/03/244357403.db2.gz LXVUIPATZVVUQU-GOSISDBHSA-N 1 0 341.415 1.145 40 0 EDABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)c1cnn(C)c1 ZINC000257273576 244387377 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/nfs/dbraw/zinc/45/94/60/441459460.db2.gz HZNYWWJHQOOTIH-MJGOQNOKSA-N 1 0 329.444 1.933 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)n1 ZINC000096043388 441992394 /nfs/dbraw/zinc/99/23/94/441992394.db2.gz PQFVHUTZWWZQPX-FGTMMUONSA-N 1 0 345.443 1.781 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cn1 ZINC000096048501 441996032 /nfs/dbraw/zinc/99/60/32/441996032.db2.gz QDFZTUHMSIBKAD-DOTOQJQBSA-N 1 0 346.410 1.585 40 0 EDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)o1 ZINC000096057505 442004766 /nfs/dbraw/zinc/00/47/66/442004766.db2.gz SPDNQUACEUVMSF-KZNAEPCWSA-N 1 0 347.459 1.484 40 0 EDABRO c1ccc(CN2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096062333 442009603 /nfs/dbraw/zinc/00/96/03/442009603.db2.gz MYCPVSZKMNYZCV-IBGZPJMESA-N 1 0 331.460 1.785 40 0 EDABRO O=c1cc(Cn2ccnc2)nc2n1CCC[N@@H+](CC1CCOCC1)C2 ZINC000096059608 442007732 /nfs/dbraw/zinc/00/77/32/442007732.db2.gz IOCIHMZPSHTXPI-UHFFFAOYSA-N 1 0 343.431 1.120 40 0 EDABRO Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccc(F)cc2)C3)cn1 ZINC000096061017 442008439 /nfs/dbraw/zinc/00/84/39/442008439.db2.gz HMZVDAUICOXTKO-OAHLLOKOSA-N 1 0 342.378 1.506 40 0 EDABRO Cc1cccc(CN2CC3(CC[NH+](CC4CC4)CC3)OCC2=O)n1 ZINC000096062184 442010143 /nfs/dbraw/zinc/01/01/43/442010143.db2.gz PMAGMPCRXGYMBQ-UHFFFAOYSA-N 1 0 329.444 1.993 40 0 EDABRO Cn1cccc1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000096063785 442011671 /nfs/dbraw/zinc/01/16/71/442011671.db2.gz VFLWGKGFCWZLLK-DLBZAZTESA-N 1 0 340.427 1.536 40 0 EDABRO O=C([C@H]1CCCO1)N1CC[C@]2(c3ccccc3)C[N@H+](CCO)C[C@@H]2C1 ZINC000096083365 442023887 /nfs/dbraw/zinc/02/38/87/442023887.db2.gz HVFBFULGUBJFTC-QWFCFKBJSA-N 1 0 344.455 1.260 40 0 EDABRO CO[C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096111083 442036093 /nfs/dbraw/zinc/03/60/93/442036093.db2.gz AQHWEVAFXDHMJV-XHSDSOJGSA-N 1 0 345.399 1.938 40 0 EDABRO CO[C@@H]1CCN(C(=O)c2ocnc2C)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096110998 442036408 /nfs/dbraw/zinc/03/64/08/442036408.db2.gz PDSXSKMWXHXMNE-ARFHVFGLSA-N 1 0 345.399 1.938 40 0 EDABRO CC(C)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)C[NH3+] ZINC000079392944 442044144 /nfs/dbraw/zinc/04/41/44/442044144.db2.gz YQOZKEHTHFGVRO-INIZCTEOSA-N 1 0 333.432 1.983 40 0 EDABRO O=C1COC2(CC[NH+](Cc3cccnc3)CC2)CN1c1cncnc1 ZINC000096159147 442049444 /nfs/dbraw/zinc/04/94/44/442049444.db2.gz RPQPPAATCMVHOX-UHFFFAOYSA-N 1 0 339.399 1.270 40 0 EDABRO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096186228 442061728 /nfs/dbraw/zinc/06/17/28/442061728.db2.gz WMOVVVFAIDJMMR-HUUCEWRRSA-N 1 0 332.400 1.627 40 0 EDABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1 ZINC000096186220 442061880 /nfs/dbraw/zinc/06/18/80/442061880.db2.gz BPTFGTVHTSPSCL-IAGOWNOFSA-N 1 0 347.434 1.522 40 0 EDABRO CC(C)[N@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cscn2)C1 ZINC000096188315 442066003 /nfs/dbraw/zinc/06/60/03/442066003.db2.gz BVWMNALAGXDIIZ-ZDUSSCGKSA-N 1 0 333.461 1.952 40 0 EDABRO C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)c1ccoc1)CC2 ZINC000096196652 442069129 /nfs/dbraw/zinc/06/91/29/442069129.db2.gz QPQMGAXICIBGAC-UHFFFAOYSA-N 1 0 329.400 1.244 40 0 EDABRO CC[NH+](CC)Cc1cn2c(n1)CN(C(=O)Cc1ccccn1)CC2 ZINC000096197187 442070231 /nfs/dbraw/zinc/07/02/31/442070231.db2.gz VMXIIDDRAGXTDI-UHFFFAOYSA-N 1 0 327.432 1.705 40 0 EDABRO C[NH+](C)C[C@]12COC[C@H]1CN(C(=O)c1ccnc3ccccc31)C2 ZINC000096206641 442080041 /nfs/dbraw/zinc/08/00/41/442080041.db2.gz QWUXINRKSVEHET-KUHUBIRLSA-N 1 0 325.412 1.885 40 0 EDABRO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)O1 ZINC000096206447 442080546 /nfs/dbraw/zinc/08/05/46/442080546.db2.gz BSNXMSIXCQYHIS-JKSUJKDBSA-N 1 0 339.461 1.144 40 0 EDABRO CN(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](CC3CCOCC3)C2)O1 ZINC000096208430 442082911 /nfs/dbraw/zinc/08/29/11/442082911.db2.gz VERIXIWFCQYDEW-FUHWJXTLSA-N 1 0 339.480 1.698 40 0 EDABRO CCS(=O)(=O)N1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096209307 442084348 /nfs/dbraw/zinc/08/43/48/442084348.db2.gz BNJHCULDEXUSIX-OAHLLOKOSA-N 1 0 330.494 1.549 40 0 EDABRO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCC1 ZINC000096215307 442086366 /nfs/dbraw/zinc/08/63/66/442086366.db2.gz CFNNAJJSBGNFOK-RLFYNMQTSA-N 1 0 344.411 1.627 40 0 EDABRO C[NH+](C)CCN1C(=O)CC[C@@]12CCCN(C(=O)c1cccnc1)CC2 ZINC000096217733 442087915 /nfs/dbraw/zinc/08/79/15/442087915.db2.gz YLHAIUKNHROLII-LJQANCHMSA-N 1 0 344.459 1.631 40 0 EDABRO COC[C@H]1CC2(CN1S(C)(=O)=O)CC[NH+](Cc1ccco1)CC2 ZINC000096216898 442088288 /nfs/dbraw/zinc/08/82/88/442088288.db2.gz JQHDVINLPZTNRR-CQSZACIVSA-N 1 0 342.461 1.542 40 0 EDABRO COCC[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260400 442108740 /nfs/dbraw/zinc/10/87/40/442108740.db2.gz RUWIKBNYALGTSM-UHFFFAOYSA-N 1 0 346.475 1.431 40 0 EDABRO COc1ccccc1CCC(=O)N1CC[N@@H+](C(C)C)C[C@H]1C(N)=O ZINC000257289203 443132402 /nfs/dbraw/zinc/13/24/02/443132402.db2.gz PXMYPGJNRHGHPM-HNNXBMFYSA-N 1 0 333.432 1.034 40 0 EDABRO CN1C(=O)CCC[C@@H]2C[N@@H+](Cc3ccnc(N4CCCC4)n3)CC[C@H]21 ZINC000257311355 443142678 /nfs/dbraw/zinc/14/26/78/443142678.db2.gz UJBCGSBIZONLPI-NVXWUHKLSA-N 1 0 343.475 1.910 40 0 EDABRO O=C(C1CCOCC1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257316407 443144680 /nfs/dbraw/zinc/14/46/80/443144680.db2.gz VFMCTFFAKALQQX-HNNXBMFYSA-N 1 0 332.391 1.108 40 0 EDABRO O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257322507 443146991 /nfs/dbraw/zinc/14/69/91/443146991.db2.gz WGGCQPUXHMXHOA-IBGZPJMESA-N 1 0 348.443 1.011 40 0 EDABRO [NH3+]CCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000257325890 443147613 /nfs/dbraw/zinc/14/76/13/443147613.db2.gz WUXHBSLOPXOMOM-INIZCTEOSA-N 1 0 334.416 1.170 40 0 EDABRO O=S(=O)(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1F ZINC000257342462 443156168 /nfs/dbraw/zinc/15/61/68/443156168.db2.gz ZOSDARFBDMQOSN-UMVBOHGHSA-N 1 0 328.409 1.092 40 0 EDABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](C)C[C@H]2C3)cc1 ZINC000306126670 444285225 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O=S(=O)(NCC[C@@H]1Cn2cccc2C[N@@H+](C2CCC2)C1)C1CC1 ZINC000585095244 448678701 /nfs/dbraw/zinc/67/87/01/448678701.db2.gz JDZPWERZECRLKH-CQSZACIVSA-N 1 0 337.489 1.944 40 0 EDABRO CC(C)S(=O)(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1 ZINC000585095473 448678959 /nfs/dbraw/zinc/67/89/59/448678959.db2.gz ZAVPPHLHVFMBLG-OAHLLOKOSA-N 1 0 326.466 1.464 40 0 EDABRO CNC(=O)CC[C@@]1(O)CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000585278069 448725648 /nfs/dbraw/zinc/72/56/48/448725648.db2.gz LMKOXNRFVQPKEN-SFHVURJKSA-N 1 0 339.480 1.131 40 0 EDABRO CCCC[NH2+]C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585289843 448734308 /nfs/dbraw/zinc/73/43/08/448734308.db2.gz KSZXZNUXYTYMBU-RDJZCZTQSA-N 1 0 340.851 1.668 40 0 EDABRO C[NH+](C)CCN1CCOC[C@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096229384 282101479 /nfs/dbraw/zinc/10/14/79/282101479.db2.gz GAOWKCAYUZYYON-QGZVFWFLSA-N 1 0 339.505 1.213 40 0 EDABRO Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019238286 202000379 /nfs/dbraw/zinc/00/03/79/202000379.db2.gz ITKMDYGAVAMXGU-CJNGLKHVSA-N 1 0 340.431 1.552 40 0 EDABRO C[C@H]([NH3+])C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1 ZINC000079412818 202434044 /nfs/dbraw/zinc/43/40/44/202434044.db2.gz LQJIXFHHUHGBTL-AWEZNQCLSA-N 1 0 333.432 1.841 40 0 EDABRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000044528845 202523337 /nfs/dbraw/zinc/52/33/37/202523337.db2.gz ZWTYDRNGFGXMEL-MRVPVSSYSA-N 1 0 339.280 1.870 40 0 EDABRO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@H+]([C@H]1CCOC1)C2 ZINC000253588444 244025458 /nfs/dbraw/zinc/02/54/58/244025458.db2.gz CPGHBHZXYMCMML-WMZOPIPTSA-N 1 0 328.416 1.716 40 0 EDABRO O=C(c1ccc(N2CCCC2)cc1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257204526 244131521 /nfs/dbraw/zinc/13/15/21/244131521.db2.gz AVAPHMOCZSAHJR-FQEVSTJZSA-N 1 0 343.471 1.960 40 0 EDABRO CNc1cccc([C@@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)n1 ZINC000257226902 244204771 /nfs/dbraw/zinc/20/47/71/244204771.db2.gz FMRMSOBHYJMEQG-INIZCTEOSA-N 1 0 332.448 1.898 40 0 EDABRO CN(C)C(=O)c1c[nH]nc1C1(C)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072388878 203212085 /nfs/dbraw/zinc/21/20/85/203212085.db2.gz XQGUPBKQJCZBDZ-UHFFFAOYSA-N 1 0 330.436 1.399 40 0 EDABRO NC(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257248944 244262746 /nfs/dbraw/zinc/26/27/46/244262746.db2.gz JFXHZSQQFZTRTE-NSHDSACASA-N 1 0 342.428 1.664 40 0 EDABRO CC(C)C(=O)N1CC[C@H](c2nn(CC[NH+](C)C)c3nccnc23)C1 ZINC000072391682 203213470 /nfs/dbraw/zinc/21/34/70/203213470.db2.gz RJXXEWWUTPXZDS-ZDUSSCGKSA-N 1 0 330.436 1.360 40 0 EDABRO CN(C)c1cnc(C[C@@H]2CCCN(C(=O)C3([NH3+])CCCC3)CC2)cn1 ZINC000257252588 244272549 /nfs/dbraw/zinc/27/25/49/244272549.db2.gz JVHPWBKZLFAQDG-OAHLLOKOSA-N 1 0 345.491 1.985 40 0 EDABRO O=C([C@@H]1C[C@]2(CO1)CCC[N@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000107230342 204229613 /nfs/dbraw/zinc/22/96/13/204229613.db2.gz YVGUXBPMVKINTN-PKOBYXMFSA-N 1 0 345.443 1.312 40 0 EDABRO CCOCC[N@H+]1C[C@@H](NC(=O)c2cnoc2C)[C@H]2OCCC[C@H]2C1 ZINC000107713306 204245095 /nfs/dbraw/zinc/24/50/95/204245095.db2.gz LADLUEYXSOEXPP-IMJJTQAJSA-N 1 0 337.420 1.229 40 0 EDABRO CC1CC[NH+](C[C@@H]2OC[C@H](NC(=O)Nc3cccnc3)[C@H]2O)CC1 ZINC000514288673 257846662 /nfs/dbraw/zinc/84/66/62/257846662.db2.gz KFLUNPRVHBFXCE-HRCADAONSA-N 1 0 334.420 1.063 40 0 biogenic,in-vitro EDABRO C[NH+](C)CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccs1)C2 ZINC000096203191 273795881 /nfs/dbraw/zinc/79/58/81/273795881.db2.gz OAOMKPPZCURWNT-KRWDZBQOSA-N 1 0 335.473 1.907 40 0 EDABRO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@H+](Cc1ccccc1)CC2 ZINC000019372390 275042156 /nfs/dbraw/zinc/04/21/56/275042156.db2.gz GXRRYVKOJFZXEB-UHFFFAOYSA-N 1 0 340.427 1.207 40 0 EDABRO C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccs2)C1 ZINC000096067256 276792288 /nfs/dbraw/zinc/79/22/88/276792288.db2.gz PWIHMNOPZRZYBG-AWEZNQCLSA-N 1 0 348.472 1.795 40 0 EDABRO CS(=O)(=O)c1cnc2nc(C(F)(F)F)nn2c1[C@@H]1CCC[NH2+]C1 ZINC000257231977 278121564 /nfs/dbraw/zinc/12/15/64/278121564.db2.gz GIWIAZFYBFSLDK-SSDOTTSWSA-N 1 0 349.338 1.014 40 0 EDABRO CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)C[N@@H+](C)[C@@H]3C1)OCO5 ZINC000004027521 440909603 /nfs/dbraw/zinc/90/96/03/440909603.db2.gz YLWAQARRNQVEHD-GQAVTEOGSA-N 1 0 331.368 1.161 40 0 EDABRO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000012326119 441130161 /nfs/dbraw/zinc/13/01/61/441130161.db2.gz AJIFJHHVXCVDNI-UHFFFAOYSA-N 1 0 343.402 1.934 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCCC3)C2)cn1 ZINC000097953637 441147616 /nfs/dbraw/zinc/14/76/16/441147616.db2.gz RECMNCMSXACHOW-YESZJQIVSA-N 1 0 332.448 1.316 40 0 EDABRO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)o1 ZINC000019216631 441255704 /nfs/dbraw/zinc/25/57/04/441255704.db2.gz VXQLJOYMPAHNEH-UHFFFAOYSA-N 1 0 328.416 1.872 40 0 EDABRO CCN1c2ccccc2[C@@]2(N=C(Nc3ccc(C)cc3)NC(=[NH2+])N2)C1=O ZINC000019332713 441256682 /nfs/dbraw/zinc/25/66/82/441256682.db2.gz WLLPHQUEXIAYKY-LJQANCHMSA-N 1 0 348.410 1.900 40 0 EDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc2ccccc2nc1N(C)C ZINC000019575880 441258872 /nfs/dbraw/zinc/25/88/72/441258872.db2.gz JMOWJHAYVDYJRN-BMGDILEWSA-N 1 0 340.471 1.940 40 0 EDABRO CCN(CC)CC[NH2+]CC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000022584653 441282337 /nfs/dbraw/zinc/28/23/37/441282337.db2.gz KADAAGHUBMHFCK-UHFFFAOYSA-N 1 0 348.491 1.275 40 0 EDABRO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000039762248 441619037 /nfs/dbraw/zinc/61/90/37/441619037.db2.gz MQPNLSJHQXTAHX-UHFFFAOYSA-N 1 0 347.434 1.762 40 0 EDABRO O=S(=O)(C1CC1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046522 441995634 /nfs/dbraw/zinc/99/56/34/441995634.db2.gz IULVIJPDGLBUSR-UHFFFAOYSA-N 1 0 335.473 1.862 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccncc2)C1 ZINC000096040209 441987430 /nfs/dbraw/zinc/98/74/30/441987430.db2.gz UAEOBIHVOFJEEK-PKOBYXMFSA-N 1 0 347.459 1.558 40 0 EDABRO O=C([C@H]1C[N@H+](Cc2ccncc2)C[C@H]2OCC[C@H]21)N1CCCCO1 ZINC000096041192 441988161 /nfs/dbraw/zinc/98/81/61/441988161.db2.gz PQUPKTOEKVZFIK-YESZJQIVSA-N 1 0 331.416 1.473 40 0 EDABRO COCCNC(=O)[C@H]1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000096043179 441990653 /nfs/dbraw/zinc/99/06/53/441990653.db2.gz GUGWBJIQZSGORA-KSZLIROESA-N 1 0 332.444 1.471 40 0 EDABRO COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)cc1 ZINC000096056252 442003657 /nfs/dbraw/zinc/00/36/57/442003657.db2.gz VSSITUUNQVQLAC-YSIASYRMSA-N 1 0 346.471 1.864 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000096057287 442004551 /nfs/dbraw/zinc/00/45/51/442004551.db2.gz UKDCXGQUIQONAJ-ZACQAIPSSA-N 1 0 334.416 1.918 40 0 EDABRO CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)CC1 ZINC000096057340 442004952 /nfs/dbraw/zinc/00/49/52/442004952.db2.gz WTYIFJNDCWWSGP-ZACQAIPSSA-N 1 0 333.432 1.176 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(CO[C@@H](COCc3cccnc3)C2)CC1 ZINC000096106148 442030939 /nfs/dbraw/zinc/03/09/39/442030939.db2.gz VTOXGYMUHIRIOT-QGZVFWFLSA-N 1 0 347.459 1.558 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)no1 ZINC000096110099 442036173 /nfs/dbraw/zinc/03/61/73/442036173.db2.gz YAVVDWCBKSMCMT-RDTXWAMCSA-N 1 0 342.399 1.143 40 0 EDABRO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)NCCc1ccccn1 ZINC000096112940 442037427 /nfs/dbraw/zinc/03/74/27/442037427.db2.gz HAWZREWGLQRNPD-DLBZAZTESA-N 1 0 346.475 1.365 40 0 biogenic,in-vitro EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)cn1 ZINC000096158793 442048436 /nfs/dbraw/zinc/04/84/36/442048436.db2.gz DRXVUCMWLMGTGJ-UHFFFAOYSA-N 1 0 341.459 1.682 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)C[C@@H]1C=CCC1)C2 ZINC000096198534 442071854 /nfs/dbraw/zinc/07/18/54/442071854.db2.gz GRMMASUGZOYRKB-CABCVRRESA-N 1 0 347.463 1.175 40 0 EDABRO C[NH+](C)CCN1CCN(C(=O)c2cscn2)Cc2cccnc21 ZINC000096198835 442072911 /nfs/dbraw/zinc/07/29/11/442072911.db2.gz WTYIKHUNOMELOV-UHFFFAOYSA-N 1 0 331.445 1.562 40 0 EDABRO O=C(C1CCOCC1)N1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202167 442077588 /nfs/dbraw/zinc/07/75/88/442077588.db2.gz MELZWGVYBUUKNR-LJQANCHMSA-N 1 0 348.443 1.757 40 0 EDABRO COCCN1CC2(CC[NH+](Cc3cccnc3)CC2)[C@@H](COC)C1=O ZINC000096206418 442080097 /nfs/dbraw/zinc/08/00/97/442080097.db2.gz ZDASNCXNRMLGML-KRWDZBQOSA-N 1 0 347.459 1.415 40 0 EDABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21)N1CCCO1 ZINC000096206991 442080380 /nfs/dbraw/zinc/08/03/80/442080380.db2.gz BOWPRQOEBAHIBS-OIISXLGYSA-N 1 0 331.416 1.473 40 0 EDABRO Cn1nccc1C(=O)N1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096207193 442081437 /nfs/dbraw/zinc/08/14/37/442081437.db2.gz DHVCQKSUESYQBW-MRXNPFEDSA-N 1 0 346.475 1.773 40 0 EDABRO Cn1nccc1C(=O)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208208 442082890 /nfs/dbraw/zinc/08/28/90/442082890.db2.gz QCYQMOZENLNINP-MRXNPFEDSA-N 1 0 346.475 1.916 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)COc1ccccc1OC)CC[C@H]2OC ZINC000096209317 442085025 /nfs/dbraw/zinc/08/50/25/442085025.db2.gz AHLLBENSPLJAPM-ARFHVFGLSA-N 1 0 348.443 1.642 40 0 EDABRO O=C(C[C@H]1C[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2O1)N1CCCCO1 ZINC000096216153 442087628 /nfs/dbraw/zinc/08/76/28/442087628.db2.gz BEQRNCNZBRFYEH-GVDBMIGSSA-N 1 0 338.448 1.446 40 0 EDABRO C[NH+](C)CC[C@@H]1Cn2nccc2CN(C(=O)COC2CCCC2)C1 ZINC000248089950 442881315 /nfs/dbraw/zinc/88/13/15/442881315.db2.gz FJMKXZRMWYUIMY-HNNXBMFYSA-N 1 0 334.464 1.752 40 0 EDABRO Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257285256 443131220 /nfs/dbraw/zinc/13/12/20/443131220.db2.gz PGHPAGSIOMLMJV-MRXNPFEDSA-N 1 0 330.388 1.720 40 0 EDABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)/C=C/c3ccccc3F)C2)CC1 ZINC000257297530 443136994 /nfs/dbraw/zinc/13/69/94/443136994.db2.gz RHQZPHCMXRJXIB-OVKVCFKUSA-N 1 0 347.434 1.050 40 0 EDABRO COCc1c(C)onc1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257301861 443137907 /nfs/dbraw/zinc/13/79/07/443137907.db2.gz SAGPBSOWTGZFRQ-IIAWOOMASA-N 1 0 337.420 1.189 40 0 EDABRO Cn1cc(C(=O)N2CC[C@](O)(C[N@H+](C)Cc3ccc(F)cc3)C2)cn1 ZINC000257303466 443138460 /nfs/dbraw/zinc/13/84/60/443138460.db2.gz SHIWNBQZSXSLHE-SFHVURJKSA-N 1 0 346.406 1.268 40 0 EDABRO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257201362 443124183 /nfs/dbraw/zinc/12/41/83/443124183.db2.gz AHIUNKWJCITDAS-KRWDZBQOSA-N 1 0 346.475 1.658 40 0 EDABRO CN(C(=O)C[NH+]1CCCCC1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257326616 443149158 /nfs/dbraw/zinc/14/91/58/443149158.db2.gz WXXDGGQMKWPNAM-JFIYKMOQSA-N 1 0 333.432 1.297 40 0 EDABRO Cc1nc([C@@H]2COCCN2C(=O)C2CC[NH+](C(C)C)CC2)cc(=O)[nH]1 ZINC000257334157 443151542 /nfs/dbraw/zinc/15/15/42/443151542.db2.gz YEUCPRSJRUDCQZ-INIZCTEOSA-N 1 0 348.447 1.511 40 0 EDABRO C[N@H+](CCC(=O)N1CCO[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257342374 443155863 /nfs/dbraw/zinc/15/58/63/443155863.db2.gz ZOHVDYAFFVVKSL-KRWDZBQOSA-N 1 0 341.415 1.294 40 0 EDABRO O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)O1 ZINC000306144264 444288118 /nfs/dbraw/zinc/28/81/18/444288118.db2.gz ZARFDVWJKSFOAD-YESZJQIVSA-N 1 0 334.416 1.554 40 0 EDABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)ncn1)C2 ZINC000329047225 444456960 /nfs/dbraw/zinc/45/69/60/444456960.db2.gz UFPHCXBCLZBMRX-UHFFFAOYSA-N 1 0 342.399 1.620 40 0 EDABRO CC[N@H+](CC1(O)CCS(=O)(=O)CC1)[C@@H](C)c1cccc(O)c1 ZINC000330369580 444954656 /nfs/dbraw/zinc/95/46/56/444954656.db2.gz YLRDHTHFFNWTNG-ZDUSSCGKSA-N 1 0 327.446 1.715 40 0 EDABRO COc1ccc(C(=O)N[C@H]2CO[C@@H](C[NH+]3CCC(C)CC3)[C@@H]2O)cc1 ZINC000514288401 448160405 /nfs/dbraw/zinc/16/04/05/448160405.db2.gz CPDHMWDYDDLEEU-OKZBNKHCSA-N 1 0 348.443 1.285 40 0 biogenic,in-vitro EDABRO Cc1cc(CN2CC3(C2)C[C@H](COCc2ccncc2)C[N@H+]3C)[nH]n1 ZINC000585093890 448676768 /nfs/dbraw/zinc/67/67/68/448676768.db2.gz NARGAQCPZSBZTK-KRWDZBQOSA-N 1 0 341.459 1.836 40 0 EDABRO Cc1cc(CN2CC3(C2)C[C@@H](COCc2ccncc2)C[N@H+]3C)[nH]n1 ZINC000585093891 448677895 /nfs/dbraw/zinc/67/78/95/448677895.db2.gz NARGAQCPZSBZTK-QGZVFWFLSA-N 1 0 341.459 1.836 40 0 EDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]C2CCCC2)[C@@H](O)C1 ZINC000585283358 448731233 /nfs/dbraw/zinc/73/12/33/448731233.db2.gz NQPAZVLFDGXGDJ-ICSRJNTNSA-N 1 0 346.471 1.476 40 0 EDABRO C[N@@H+]1CCC[C@@]1(C)C(=O)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585286189 448732916 /nfs/dbraw/zinc/73/29/16/448732916.db2.gz VEDCUNBLKGJDRA-MYZZLAAOSA-N 1 0 332.444 1.805 40 0 EDABRO CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)C[NH+]1CCCC1 ZINC000585287713 448733365 /nfs/dbraw/zinc/73/33/65/448733365.db2.gz CADTUSLAQDQRMT-KBXCAEBGSA-N 1 0 337.464 1.147 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1 ZINC000072360915 216166997 /nfs/dbraw/zinc/16/69/97/216166997.db2.gz ZKAZMLWDQDWBQU-ZDUSSCGKSA-N 1 0 341.419 1.244 40 0 EDABRO C[C@H](CO)[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000072363665 216170641 /nfs/dbraw/zinc/17/06/41/216170641.db2.gz QTARBEKOLWDGIS-CYBMUJFWSA-N 1 0 328.420 1.646 40 0 EDABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000257214949 244162496 /nfs/dbraw/zinc/16/24/96/244162496.db2.gz COBKZNMXZMCSPL-INIZCTEOSA-N 1 0 342.443 1.885 40 0 EDABRO Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C[NH3+])C3)n2)n1 ZINC000257245141 244255653 /nfs/dbraw/zinc/25/56/53/244255653.db2.gz IOFNAICUYDQDTO-LBPRGKRZSA-N 1 0 346.460 1.958 40 0 EDABRO CC[NH+]1CCC(N2CCN(C)[C@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250437 244268827 /nfs/dbraw/zinc/26/88/27/244268827.db2.gz JMNSJGKEBMCNFK-IBGZPJMESA-N 1 0 344.503 1.819 40 0 EDABRO COc1ncc(C[NH+]2CCC3(CN(C(C)=O)[C@](C)(CO)C3)CC2)cn1 ZINC000257260089 244292433 /nfs/dbraw/zinc/29/24/33/244292433.db2.gz LBGYBDIFEJXVAH-KRWDZBQOSA-N 1 0 348.447 1.071 40 0 EDABRO C[NH2+]CCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257311507 244493633 /nfs/dbraw/zinc/49/36/33/244493633.db2.gz UJUVLIMTUBAAGZ-HKUYNNGSSA-N 1 0 348.443 1.695 40 0 EDABRO COc1cccc([C@H]2CN(C(=O)c3nccn3C)[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000257323674 244526793 /nfs/dbraw/zinc/52/67/93/244526793.db2.gz WLJHVPUPDOEFOO-BRWVUGGUSA-N 1 0 340.427 1.646 40 0 EDABRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581870 212046519 /nfs/dbraw/zinc/04/65/19/212046519.db2.gz IQHUNDHZBMQYAA-DOTOQJQBSA-N 1 0 344.459 1.373 40 0 EDABRO O=C(Cc1ccccc1F)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019348179 212019889 /nfs/dbraw/zinc/01/98/89/212019889.db2.gz ZTNKAZNAJOPQRB-CQSZACIVSA-N 1 0 340.402 1.820 40 0 EDABRO O=C(Cc1ccccc1F)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019348181 212018995 /nfs/dbraw/zinc/01/89/95/212018995.db2.gz ZTNKAZNAJOPQRB-AWEZNQCLSA-N 1 0 340.402 1.820 40 0 EDABRO O=C(Cc1cccc(F)c1)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019293738 212012910 /nfs/dbraw/zinc/01/29/10/212012910.db2.gz CEXUBEKSDKBBPH-AWEZNQCLSA-N 1 0 340.402 1.820 40 0 EDABRO [NH3+][C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242425593 257684371 /nfs/dbraw/zinc/68/43/71/257684371.db2.gz BQBRZHSUXSBZFO-BRWVUGGUSA-N 1 0 347.392 1.045 40 0 EDABRO COc1ccc2ccccc2c1C[N@@H+]1CCN(C)C[C@H](C(N)=O)C1 ZINC000257243826 274141925 /nfs/dbraw/zinc/14/19/25/274141925.db2.gz IISIBNZDQVHMBP-HNNXBMFYSA-N 1 0 327.428 1.697 40 0 EDABRO CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCOCC2)COC1 ZINC000096112766 275494683 /nfs/dbraw/zinc/49/46/83/275494683.db2.gz UWSBSSXBGFXVFH-HNNXBMFYSA-N 1 0 344.415 1.835 40 0 biogenic,in-vitro EDABRO Cc1ccc(N2C[C@H](OCC[NH+]3CCCC3)[C@H]3OCCC[C@H]32)nn1 ZINC000096065404 280883872 /nfs/dbraw/zinc/88/38/72/280883872.db2.gz NPGMRVLGNZRGHA-RYRKJORJSA-N 1 0 332.448 1.634 40 0 EDABRO Cc1ccccc1C(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCCN(C)CC2)CC1 ZINC000257272839 281333335 /nfs/dbraw/zinc/33/33/35/281333335.db2.gz NECDFPJKOIGCIW-OALUTQOASA-N 1 0 345.487 1.598 40 0 EDABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000257318510 289035112 /nfs/dbraw/zinc/03/51/12/289035112.db2.gz VOFWLLBPILACLA-OAHLLOKOSA-N 1 0 343.431 1.747 40 0 EDABRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000044556246 303419785 /nfs/dbraw/zinc/41/97/85/303419785.db2.gz LRRBJBSSFSXISO-LLVKDONJSA-N 1 0 333.251 1.951 40 0 EDABRO Cc1cc(C(F)(F)F)nn1CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002778329 440876036 /nfs/dbraw/zinc/87/60/36/440876036.db2.gz WMIFCTWMBNPSCH-GFCCVEGCSA-N 1 0 330.354 1.907 40 0 EDABRO C[C@H](c1cccc(F)c1)n1cc(C(=O)NCC[NH+]2CCCC2)nn1 ZINC000072341634 441229546 /nfs/dbraw/zinc/22/95/46/441229546.db2.gz OJWYCSJSFNRCIE-CYBMUJFWSA-N 1 0 331.395 1.852 40 0 EDABRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+](C)C ZINC000073743128 441349008 /nfs/dbraw/zinc/34/90/08/441349008.db2.gz QUZCPHRIYAVHEP-UHFFFAOYSA-N 1 0 328.210 1.374 40 0 EDABRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000107228843 441404609 /nfs/dbraw/zinc/40/46/09/441404609.db2.gz ZALLUBJAVLKOLJ-SJLPKXTDSA-N 1 0 342.447 1.470 40 0 EDABRO Cn1cc(C(=O)NC2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cn1 ZINC000108528320 441460319 /nfs/dbraw/zinc/46/03/19/441460319.db2.gz RYSZFNJPJFOCHE-UHFFFAOYSA-N 1 0 325.416 1.600 40 0 EDABRO COCCNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000108531971 441460920 /nfs/dbraw/zinc/46/09/20/441460920.db2.gz SYBDUMTWVVUHHZ-AEFFLSMTSA-N 1 0 334.464 1.483 40 0 EDABRO CCS(=O)(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000113943751 441628205 /nfs/dbraw/zinc/62/82/05/441628205.db2.gz POWWHDPGFFHVQK-UHFFFAOYSA-N 1 0 325.434 1.272 40 0 EDABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)nn1 ZINC000096048449 441997008 /nfs/dbraw/zinc/99/70/08/441997008.db2.gz PLTNSDAAPSNWPM-WMZOPIPTSA-N 1 0 342.447 1.754 40 0 EDABRO Cc1ccccc1C[N@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC000096041571 441988345 /nfs/dbraw/zinc/98/83/45/441988345.db2.gz ZWVSZOMCCLQEQY-YQVWRLOYSA-N 1 0 332.444 1.832 40 0 EDABRO Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096041625 441990188 /nfs/dbraw/zinc/99/01/88/441990188.db2.gz LUYKBRMDZMJLFK-CGTJXYLNSA-N 1 0 347.459 1.510 40 0 EDABRO CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)CC1 ZINC000096057342 442005101 /nfs/dbraw/zinc/00/51/01/442005101.db2.gz SDIOCCWGLSQNSK-ZACQAIPSSA-N 1 0 333.432 1.176 40 0 EDABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000096056634 442003379 /nfs/dbraw/zinc/00/33/79/442003379.db2.gz MJLPEPMQFORQJH-QZTJIDSGSA-N 1 0 339.443 1.889 40 0 EDABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](Cc2ccncc2)CC3)cn1 ZINC000096061495 442009435 /nfs/dbraw/zinc/00/94/35/442009435.db2.gz QZDWAEGYLKIRDW-MRXNPFEDSA-N 1 0 325.416 1.453 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccco2)C1 ZINC000096065644 442013862 /nfs/dbraw/zinc/01/38/62/442013862.db2.gz GFEQQQPUINIJIZ-CGTJXYLNSA-N 1 0 341.411 1.970 40 0 EDABRO Cc1cc(C(=O)N2CCc3c(COCC[NH+](C)C)cncc3C2)no1 ZINC000096067355 442016104 /nfs/dbraw/zinc/01/61/04/442016104.db2.gz VQCSPZSHMMOUPL-UHFFFAOYSA-N 1 0 344.415 1.655 40 0 EDABRO Cn1ccnc1CN1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096070376 442019089 /nfs/dbraw/zinc/01/90/89/442019089.db2.gz KWVXFENOEBMHNJ-GOSISDBHSA-N 1 0 330.432 1.738 40 0 EDABRO Cn1cc(C[NH2+]C[C@@H]2OCCc3cn(Cc4ccccn4)nc32)cn1 ZINC000096086891 442024184 /nfs/dbraw/zinc/02/41/84/442024184.db2.gz ZDLHCRKKNYLPDL-KRWDZBQOSA-N 1 0 338.415 1.464 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)o1 ZINC000096108806 442033916 /nfs/dbraw/zinc/03/39/16/442033916.db2.gz ZOMNLYOYIQKYHF-APWZRJJASA-N 1 0 348.443 1.675 40 0 EDABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccncn1)C2 ZINC000096217909 442089675 /nfs/dbraw/zinc/08/96/75/442089675.db2.gz HFDBNFRAEKCVFA-CRAIPNDOSA-N 1 0 330.432 1.297 40 0 EDABRO Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccnc4)C[C@H]3C2)cn1 ZINC000096183354 442055622 /nfs/dbraw/zinc/05/56/22/442055622.db2.gz FZNXFVGZJAHZJM-FUHWJXTLSA-N 1 0 338.411 1.763 40 0 EDABRO C[NH+](C)CCOCc1cncc2c1CCN(C(=O)C1CCOCC1)C2 ZINC000096189355 442066432 /nfs/dbraw/zinc/06/64/32/442066432.db2.gz NYRVPXSHYWAMJC-UHFFFAOYSA-N 1 0 347.459 1.471 40 0 EDABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000096198537 442071992 /nfs/dbraw/zinc/07/19/92/442071992.db2.gz CUAHIMKQAJDPGB-HUUCEWRRSA-N 1 0 347.463 1.175 40 0 EDABRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cnn(C)c1 ZINC000096200192 442073908 /nfs/dbraw/zinc/07/39/08/442073908.db2.gz XXFPWOACTYTGBJ-JKSUJKDBSA-N 1 0 329.400 1.981 40 0 EDABRO Cc1cccc(CN2CC3(CCN(CC[NH+](C)C)CC3)OCC2=O)n1 ZINC000096201460 442076445 /nfs/dbraw/zinc/07/64/45/442076445.db2.gz GFILXGGFBYFGJE-UHFFFAOYSA-N 1 0 346.475 1.145 40 0 EDABRO Cn1nccc1C(=O)N1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096207194 442081970 /nfs/dbraw/zinc/08/19/70/442081970.db2.gz DHVCQKSUESYQBW-INIZCTEOSA-N 1 0 346.475 1.773 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)cn1 ZINC000096208673 442083482 /nfs/dbraw/zinc/08/34/82/442083482.db2.gz SOVCQGSSKKHADE-SJLPKXTDSA-N 1 0 347.463 1.349 40 0 EDABRO COc1ccc(CN2C(=O)CO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)cc1 ZINC000096246437 442101593 /nfs/dbraw/zinc/10/15/93/442101593.db2.gz UKUZLLQYVKUMSK-CGTJXYLNSA-N 1 0 346.427 1.143 40 0 EDABRO C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@@H]21 ZINC000096249273 442102900 /nfs/dbraw/zinc/10/29/00/442102900.db2.gz XBEZEPUQFBABCQ-GJZGRUSLSA-N 1 0 337.489 1.615 40 0 EDABRO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261460 442108819 /nfs/dbraw/zinc/10/88/19/442108819.db2.gz AQVDEUDTUQFSLR-ZIFCJYIRSA-N 1 0 341.459 1.671 40 0 EDABRO O=C(COC1CCCC1)N1Cc2ccnn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247741222 442866282 /nfs/dbraw/zinc/86/62/82/442866282.db2.gz OLRYCBYKLYERQT-INIZCTEOSA-N 1 0 332.448 1.821 40 0 EDABRO Cc1ccc(C(=O)N2CC3(C2)CC[C@@H](C[NH+]2CCOCC2)CO3)o1 ZINC000247924780 442873622 /nfs/dbraw/zinc/87/36/22/442873622.db2.gz OZVIFGRRRXPPKV-HNNXBMFYSA-N 1 0 334.416 1.541 40 0 EDABRO CN(C)C(=O)CO[C@H]1Cn2cccc2C[N@H+](CC2CCOCC2)C1 ZINC000247973519 442875728 /nfs/dbraw/zinc/87/57/28/442875728.db2.gz HZRYRNSBQLAQKH-QGZVFWFLSA-N 1 0 335.448 1.204 40 0 EDABRO CN(C)c1cc(N2CC3(C2)C[C@@H](COCC2CC2)CC[N@@H+]3C)ncn1 ZINC000248135102 442883542 /nfs/dbraw/zinc/88/35/42/442883542.db2.gz RINVWGSPBYQEFS-INIZCTEOSA-N 1 0 345.491 1.870 40 0 EDABRO CC(=O)N1CCC(O)(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257309441 443141212 /nfs/dbraw/zinc/14/12/12/443141212.db2.gz UAYOXPCEGUWHGK-GOSISDBHSA-N 1 0 331.460 1.349 40 0 EDABRO Cc1cc(C)n2ncc(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)c2n1 ZINC000257314549 443143296 /nfs/dbraw/zinc/14/32/96/443143296.db2.gz UXLIWGKHNBDBCZ-INIZCTEOSA-N 1 0 330.432 1.852 40 0 EDABRO CNC(=O)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000257320004 443146070 /nfs/dbraw/zinc/14/60/70/443146070.db2.gz VUYGEVBLNGXRMR-ZDUSSCGKSA-N 1 0 329.366 1.815 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257260070 443126467 /nfs/dbraw/zinc/12/64/67/443126467.db2.gz LBEZLHFIFIJPNI-FQEVSTJZSA-N 1 0 339.439 1.660 40 0 EDABRO CCN(CC)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000257283833 443130474 /nfs/dbraw/zinc/13/04/74/443130474.db2.gz PAATUIOFCQUGHL-OAHLLOKOSA-N 1 0 327.450 1.228 40 0 EDABRO Cc1nnsc1CN(C)C(=O)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257327933 443149477 /nfs/dbraw/zinc/14/94/77/443149477.db2.gz XDKUIHAUOIZBCS-CQSZACIVSA-N 1 0 349.435 1.422 40 0 EDABRO O=c1ccn([C@H]2CC[N@@H+](CCCc3ccccc3)CC[C@@H]2O)c(=O)[nH]1 ZINC000257326046 443149488 /nfs/dbraw/zinc/14/94/88/443149488.db2.gz WVNYKAAAJWEDGN-IRXDYDNUSA-N 1 0 343.427 1.580 40 0 EDABRO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000298699676 443842604 /nfs/dbraw/zinc/84/26/04/443842604.db2.gz HNCPFNHYASQUJW-CVEARBPZSA-N 1 0 344.463 1.442 40 0 EDABRO C[NH+](C)C[C@H]1CC[C@]2(COCCN(C(=O)c3cc(C4CC4)on3)C2)O1 ZINC000306125469 444285074 /nfs/dbraw/zinc/28/50/74/444285074.db2.gz CSBXZYNJDVZDME-KDOFPFPSSA-N 1 0 349.431 1.504 40 0 EDABRO CCn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cn1 ZINC000306127016 444285115 /nfs/dbraw/zinc/28/51/15/444285115.db2.gz FLMQIKKCSCAUQT-ARFHVFGLSA-N 1 0 328.420 1.252 40 0 EDABRO CC[NH+](CC)C[C@@H]1Cn2nccc2CN(Cc2cc(C)nn2C)C1 ZINC000306124815 444285294 /nfs/dbraw/zinc/28/52/94/444285294.db2.gz CAEWYPKGRXOXKD-INIZCTEOSA-N 1 0 330.480 1.899 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306137882 444287164 /nfs/dbraw/zinc/28/71/64/444287164.db2.gz RJAWZPPYNPFQCF-VXGBXAGGSA-N 1 0 331.445 1.394 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)n(C)n1 ZINC000306144069 444288415 /nfs/dbraw/zinc/28/84/15/444288415.db2.gz YVJPGECAOQTEAP-NUEKZKHPSA-N 1 0 328.420 1.077 40 0 EDABRO OCCCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)n1 ZINC000329056025 444459964 /nfs/dbraw/zinc/45/99/64/444459964.db2.gz VQJBBMLBLSTNPO-UHFFFAOYSA-N 1 0 349.438 1.831 40 0 EDABRO COC[C@@H]1CC2(C[N@@H+]1CC1CC1)CCN(C(=O)C1CC(O)C1)CC2 ZINC000585103541 448686110 /nfs/dbraw/zinc/68/61/10/448686110.db2.gz JCAJCYQLECAGAX-CGZBRXJRSA-N 1 0 336.476 1.497 40 0 EDABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(c2ncccn2)CC1 ZINC000585106100 448687589 /nfs/dbraw/zinc/68/75/89/448687589.db2.gz LTQNHEYQDNRGIP-CABCVRRESA-N 1 0 329.448 1.149 40 0 EDABRO CC(C)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cnccn4)CC3)[C@@H]2C1 ZINC000585106230 448687664 /nfs/dbraw/zinc/68/76/64/448687664.db2.gz XVCDTTUTHQCDPO-HUUCEWRRSA-N 1 0 329.448 1.149 40 0 EDABRO C[NH+]1CCC(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585275252 448719102 /nfs/dbraw/zinc/71/91/02/448719102.db2.gz BBNNBUMLKMPTNY-SFHVURJKSA-N 1 0 338.423 1.362 40 0 EDABRO Cc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1 ZINC000585093872 448677257 /nfs/dbraw/zinc/67/72/57/448677257.db2.gz LUOXUWPFXFGCBD-INIZCTEOSA-N 1 0 346.446 1.982 40 0 EDABRO C[NH+](C)C[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 ZINC000585098582 448684104 /nfs/dbraw/zinc/68/41/04/448684104.db2.gz ZLVVXPVILTZKIR-HNNXBMFYSA-N 1 0 346.406 1.764 40 0 EDABRO CNC(=O)[C@@]1(C)C[N@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCO1 ZINC000585284126 448731346 /nfs/dbraw/zinc/73/13/46/448731346.db2.gz HCVZQYLLFDVXTH-OLMNPRSZSA-N 1 0 326.481 1.791 40 0 EDABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575403951 449091709 /nfs/dbraw/zinc/09/17/09/449091709.db2.gz JFDGCGFGGASQHO-HNNXBMFYSA-N 1 0 342.505 1.468 40 0 EDABRO CCOCC[NH2+][C@H](C(=O)N[C@H](C)C(=O)Nc1ccccc1)C(C)C ZINC000224554945 486169716 /nfs/dbraw/zinc/16/97/16/486169716.db2.gz ZYRCZFNWEPUEFA-ZBFHGGJFSA-N 1 0 335.448 1.781 40 0 EDABRO CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000257254990 534780535 /nfs/dbraw/zinc/78/05/35/534780535.db2.gz KFQXNCYFVHMGCR-SFHVURJKSA-N 1 0 329.444 1.760 40 0 EDABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000216382555 536048371 /nfs/dbraw/zinc/04/83/71/536048371.db2.gz CLGFDAUTARQOFH-SFHVURJKSA-N 1 0 349.475 1.606 40 0 EDABRO COc1ncccc1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257287041 537152579 /nfs/dbraw/zinc/15/25/79/537152579.db2.gz POGIEHOSVZIYHQ-AWEZNQCLSA-N 1 0 342.399 1.541 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC(=O)N2CCCCC2)c1 ZINC000257200681 290634440 /nfs/dbraw/zinc/63/44/40/290634440.db2.gz AEMDNNQJWYBDIP-KRWDZBQOSA-N 1 0 344.459 1.005 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000097953307 219063737 /nfs/dbraw/zinc/06/37/37/219063737.db2.gz NNBDODQNGNAYNY-BRWVUGGUSA-N 1 0 338.411 1.810 40 0 EDABRO CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000038752141 213223439 /nfs/dbraw/zinc/22/34/39/213223439.db2.gz VNTSKZFEQUDBED-KRWDZBQOSA-N 1 0 333.476 1.906 40 0 EDABRO Cc1nc(CCC(=O)NCc2ccccn2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366968 216172446 /nfs/dbraw/zinc/17/24/46/216172446.db2.gz ZWAKPFRBJUCGSX-OAHLLOKOSA-N 1 0 339.443 1.896 40 0 EDABRO COc1ncc(C[N@@H+]2CCC[C@H](Cc3ccc(N(C)C)nn3)C2)cn1 ZINC000072369277 216175773 /nfs/dbraw/zinc/17/57/73/216175773.db2.gz WWJWMWSDGYMZLJ-CQSZACIVSA-N 1 0 342.447 1.796 40 0 EDABRO Cc1cc(C(=O)NCc2cccnc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072387108 216185505 /nfs/dbraw/zinc/18/55/05/216185505.db2.gz QNVZBUDUOFRVIK-UHFFFAOYSA-N 1 0 325.416 1.919 40 0 EDABRO CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2c2cc(C)[nH+]c(N)n2)n1 ZINC000072388440 216188419 /nfs/dbraw/zinc/18/84/19/216188419.db2.gz YVBOGQLAIZHBMN-QGZVFWFLSA-N 1 0 341.419 1.341 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@H]2C[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000217989548 241290509 /nfs/dbraw/zinc/29/05/09/241290509.db2.gz APJBXMFIDGDCRU-BBRMVZONSA-N 1 0 340.445 1.763 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)OC[C@]1(C)O ZINC000257204375 244128950 /nfs/dbraw/zinc/12/89/50/244128950.db2.gz AUGUSHMWRJDQRR-WMZOPIPTSA-N 1 0 332.444 1.729 40 0 EDABRO O=C(c1c[nH]cn1)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257221818 244188879 /nfs/dbraw/zinc/18/88/79/244188879.db2.gz DQQUDDCNSYFZGJ-HKUYNNGSSA-N 1 0 340.427 1.651 40 0 EDABRO Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257251940 244270306 /nfs/dbraw/zinc/27/03/06/244270306.db2.gz JSXUKYWGUIRSHN-JFIYKMOQSA-N 1 0 334.464 1.384 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 ZINC000257271592 244378815 /nfs/dbraw/zinc/37/88/15/244378815.db2.gz MYYPJBREINUJHP-IRXDYDNUSA-N 1 0 336.407 1.652 40 0 EDABRO COc1ccc(C2(C(=O)N3CC[C@](O)(C[NH+]4CCCC4)C3)CC2)cc1 ZINC000257274309 244389580 /nfs/dbraw/zinc/38/95/80/244389580.db2.gz NKLFCCTVNCNPJV-IBGZPJMESA-N 1 0 344.455 1.786 40 0 EDABRO CN(C(=O)COc1cccc(F)c1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257310333 244490619 /nfs/dbraw/zinc/49/06/19/244490619.db2.gz UEQRPZWHANKZNY-JFIYKMOQSA-N 1 0 336.407 1.651 40 0 EDABRO Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)o1 ZINC000019748092 212061497 /nfs/dbraw/zinc/06/14/97/212061497.db2.gz KPCLZZVNZDTIPF-HNNXBMFYSA-N 1 0 348.447 1.356 40 0 EDABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1ccccn1)C2 ZINC000019707346 212056294 /nfs/dbraw/zinc/05/62/94/212056294.db2.gz BBEIOBODNJHHEF-ZDUSSCGKSA-N 1 0 338.415 1.536 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1I ZINC000079420981 217223104 /nfs/dbraw/zinc/22/31/04/217223104.db2.gz GMGYIOBSFWDMEC-NSHDSACASA-N 1 0 332.185 1.891 40 0 EDABRO O=C(c1ccco1)N1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096073994 296266945 /nfs/dbraw/zinc/26/69/45/296266945.db2.gz MMACZZCUUJEXHJ-IBGZPJMESA-N 1 0 345.443 1.830 40 0 EDABRO Cc1cc(C)cc(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000010111383 211148154 /nfs/dbraw/zinc/14/81/54/211148154.db2.gz PLLPMCBQWUAXRS-UHFFFAOYSA-N 1 0 341.477 1.137 40 0 EDABRO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000009062805 211037839 /nfs/dbraw/zinc/03/78/39/211037839.db2.gz TUSVHTDJZKTESY-UHFFFAOYSA-N 1 0 329.444 1.623 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039531 218521270 /nfs/dbraw/zinc/52/12/70/218521270.db2.gz LTYGDNFTKVJDMB-FUHWJXTLSA-N 1 0 336.432 1.869 40 0 EDABRO CC(C)[N@@H+]1CC[C@@]2(Cc3nc(=O)c(C(=O)NCC4CC4)cn3C2)C1 ZINC000306134074 257921389 /nfs/dbraw/zinc/92/13/89/257921389.db2.gz NDAUWGZFAWPTKS-GOSISDBHSA-N 1 0 330.432 1.040 40 0 EDABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)ccn1 ZINC000257281601 278124125 /nfs/dbraw/zinc/12/41/25/278124125.db2.gz OQBNNMGETSWCEN-LJQANCHMSA-N 1 0 344.459 1.866 40 0 EDABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072378035 289073250 /nfs/dbraw/zinc/07/32/50/289073250.db2.gz LAOCZTKPCCYWBN-CQSZACIVSA-N 1 0 341.419 1.625 40 0 EDABRO CC(=O)N[C@]12CN(c3nnc(C)c4ccccc43)C[C@H]1C[N@H+](C)CC2 ZINC000019713661 441259476 /nfs/dbraw/zinc/25/94/76/441259476.db2.gz QQQHUOYBWVSRMC-DNVCBOLYSA-N 1 0 339.443 1.585 40 0 EDABRO Cc1cccc(OC[C@]2(C[NH2+]Cc3cccnc3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430355 441416826 /nfs/dbraw/zinc/41/68/26/441416826.db2.gz YJEMQVXOGXONAA-IZZQQSIFSA-N 1 0 343.427 1.456 40 0 biogenic,in-vitro EDABRO Cn1cncc1C[N@@H+]1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108526576 441458920 /nfs/dbraw/zinc/45/89/20/441458920.db2.gz CBBUYRATVCOGGX-UHFFFAOYSA-N 1 0 325.416 1.600 40 0 EDABRO O=CN1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000039755092 441619257 /nfs/dbraw/zinc/61/92/57/441619257.db2.gz DXJLNLYAJWSUGG-UHFFFAOYSA-N 1 0 349.862 1.853 40 0 EDABRO CCn1nccc1/C=C/C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000095435341 441927053 /nfs/dbraw/zinc/92/70/53/441927053.db2.gz DJFCRFFWDDSKIX-AMGAKCQWSA-N 1 0 346.475 1.922 40 0 EDABRO COCCn1cc2c(n1)[C@H](C[NH2+]Cc1cccc(OC)c1)OCC2 ZINC000096044326 441992828 /nfs/dbraw/zinc/99/28/28/441992828.db2.gz APVVWHBSWLLIIG-KRWDZBQOSA-N 1 0 331.416 1.942 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)cn1 ZINC000096047039 441995120 /nfs/dbraw/zinc/99/51/20/441995120.db2.gz ZUKZZQQZARPHGG-LJQANCHMSA-N 1 0 339.443 1.943 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096038618 441983731 /nfs/dbraw/zinc/98/37/31/441983731.db2.gz ZRKVVMXULVGSOO-BPLDGKMQSA-N 1 0 328.372 1.403 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1cccs1)C2 ZINC000096060655 442008702 /nfs/dbraw/zinc/00/87/02/442008702.db2.gz ZAUKZPUGKAOVIM-ZDUSSCGKSA-N 1 0 335.477 1.554 40 0 EDABRO c1ccc(-c2nnn3c2CO[C@@H](C[NH2+]CC2CCOCC2)C3)cc1 ZINC000096061096 442008783 /nfs/dbraw/zinc/00/87/83/442008783.db2.gz QKLRONIFPYJKLJ-INIZCTEOSA-N 1 0 328.416 1.860 40 0 EDABRO Cc1ccc(C(=O)N2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)o1 ZINC000096060683 442008790 /nfs/dbraw/zinc/00/87/90/442008790.db2.gz WRLMJAMKJAWVLY-CYBMUJFWSA-N 1 0 347.419 1.034 40 0 EDABRO Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+](Cc2ccncc2)CC3)cn1 ZINC000096061530 442009906 /nfs/dbraw/zinc/00/99/06/442009906.db2.gz WBKDRCTZHJZROU-KRWDZBQOSA-N 1 0 339.443 1.796 40 0 EDABRO CCC(=O)N1CCOC[C@]2(CC[C@@H](C[N@H+](C)Cc3ccco3)O2)C1 ZINC000096063512 442011354 /nfs/dbraw/zinc/01/13/54/442011354.db2.gz ARSBHJOKYXRHHA-WMZOPIPTSA-N 1 0 336.432 1.898 40 0 EDABRO O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@@H]2O1 ZINC000096065497 442012166 /nfs/dbraw/zinc/01/21/66/442012166.db2.gz GWVKLZQXRCMBNM-SZMVWBNQSA-N 1 0 344.459 1.595 40 0 EDABRO Cn1cc(CN2CCOC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cn1 ZINC000096070365 442018425 /nfs/dbraw/zinc/01/84/25/442018425.db2.gz SDFPXHSSIMTHRU-IBGZPJMESA-N 1 0 341.459 1.540 40 0 EDABRO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NCC1CC1 ZINC000096082976 442024502 /nfs/dbraw/zinc/02/45/02/442024502.db2.gz PHEOTYYNEZUQDV-ARFHVFGLSA-N 1 0 342.505 1.294 40 0 EDABRO Cn1cccc1C(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000096108437 442031754 /nfs/dbraw/zinc/03/17/54/442031754.db2.gz YWWTWMWDIVRFIB-BEFAXECRSA-N 1 0 340.427 1.299 40 0 EDABRO Cc1cc(CN2C[C@@H]3C[N@H+](CC4CCOCC4)CCO[C@@H]3C2)no1 ZINC000096108008 442031773 /nfs/dbraw/zinc/03/17/73/442031773.db2.gz WQYMOSLQTMTYNC-FUHWJXTLSA-N 1 0 335.448 1.542 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cncc(C)c1)CC[C@@H]2OC ZINC000096109427 442035155 /nfs/dbraw/zinc/03/51/55/442035155.db2.gz OKADUTUITWYQMO-BBWFWOEESA-N 1 0 333.432 1.198 40 0 EDABRO Cn1ccnc1C[NH+]1CCC2(CC1)CN(Cc1cccnc1)CCO2 ZINC000096158794 442047942 /nfs/dbraw/zinc/04/79/42/442047942.db2.gz ZIKCLVNXWVSMBQ-UHFFFAOYSA-N 1 0 341.459 1.682 40 0 EDABRO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cnn(C)c1 ZINC000096184603 442058526 /nfs/dbraw/zinc/05/85/26/442058526.db2.gz LEXFVEAANCCNFS-DLBZAZTESA-N 1 0 327.432 1.673 40 0 EDABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]21)c1ccnnc1 ZINC000096185352 442059867 /nfs/dbraw/zinc/05/98/67/442059867.db2.gz WYVDPMZQKSBKNR-OIISXLGYSA-N 1 0 342.399 1.337 40 0 EDABRO O=C(N1CCOCC1)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096196900 442070913 /nfs/dbraw/zinc/07/09/13/442070913.db2.gz WFNMUHGDVODPCM-UHFFFAOYSA-N 1 0 347.463 1.179 40 0 EDABRO Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](Cc2ccoc2)CC3)cn1 ZINC000096199838 442073986 /nfs/dbraw/zinc/07/39/86/442073986.db2.gz DEWJMHPUPLNMOE-MRXNPFEDSA-N 1 0 328.416 1.994 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)NCc4ccco4)O[C@@H]3C2)cn1 ZINC000096207764 442081317 /nfs/dbraw/zinc/08/13/17/442081317.db2.gz GIBPJAUCKYWEOA-BHYGNILZSA-N 1 0 344.415 1.309 40 0 EDABRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC(=O)N(C)C)C3)n1 ZINC000096215319 442085835 /nfs/dbraw/zinc/08/58/35/442085835.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 1 0 330.476 1.766 40 0 EDABRO O=S(=O)(C1CC1)N1CC2(C[C@H]1COCC1CC1)CC[NH2+]CC2 ZINC000096215373 442086881 /nfs/dbraw/zinc/08/68/81/442086881.db2.gz SBYHVVZBDGXZOR-AWEZNQCLSA-N 1 0 328.478 1.349 40 0 EDABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ncccn1)C2 ZINC000096215866 442086994 /nfs/dbraw/zinc/08/69/94/442086994.db2.gz QWHIZYAJJVXNHW-MAUKXSAKSA-N 1 0 330.432 1.297 40 0 EDABRO COc1ccc2c3c1O[C@]1(CO)C(OC)=CC=C4[C@H](C2)[N@H+](C)CC[C@]341 ZINC000096316415 442111877 /nfs/dbraw/zinc/11/18/77/442111877.db2.gz MBCREQDZNVPNRN-VHKYSDTDSA-N 1 0 341.407 1.787 40 0 biogenic,in-vitro EDABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccccn1)C2 ZINC000248045188 442879025 /nfs/dbraw/zinc/87/90/25/442879025.db2.gz MERZQYLIHYHXRG-APWZRJJASA-N 1 0 347.459 1.671 40 0 EDABRO Cc1ncoc1C(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257299823 443137405 /nfs/dbraw/zinc/13/74/05/443137405.db2.gz RRSROFCTJMYXAN-UHFFFAOYSA-N 1 0 343.431 1.930 40 0 EDABRO COc1ccc(CN2CC[N@H+](C)C[C@H](C(=O)N(C)C)C2)c(OC)c1 ZINC000257325044 443148311 /nfs/dbraw/zinc/14/83/11/443148311.db2.gz WRFCAPGVSLFJFU-HNNXBMFYSA-N 1 0 335.448 1.156 40 0 EDABRO CC(=O)NCC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2C ZINC000257312855 443143446 /nfs/dbraw/zinc/14/34/46/443143446.db2.gz UPVSOJXACWQDHU-OKZBNKHCSA-N 1 0 329.444 1.949 40 0 EDABRO O[C@@H]1[C@@H](Cn2cc(C3CC3)nn2)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O ZINC000225500361 443108089 /nfs/dbraw/zinc/10/80/89/443108089.db2.gz HENBMCYLBONCNT-UWIFEVILSA-N 1 0 346.406 1.195 40 0 biogenic,in-vitro EDABRO CS(=O)(=O)N1CCC[C@@]12CCN(Cc1ccc(F)cc1)C[C@@H]2O ZINC000257218326 443124177 /nfs/dbraw/zinc/12/41/77/443124177.db2.gz DCSNADCQDPJRLR-HOTGVXAUSA-N 1 0 342.436 1.187 40 0 EDABRO Cn1cccc1C(=O)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257265547 443127139 /nfs/dbraw/zinc/12/71/39/443127139.db2.gz LZCZZBBGZDBSKT-QZTJIDSGSA-N 1 0 325.412 1.269 40 0 EDABRO Cn1cncc1C[N@@H+]1CCOC[C@@H](Cc2ccc3n[nH]cc3c2)C1 ZINC000257331777 443151038 /nfs/dbraw/zinc/15/10/38/443151038.db2.gz XUFMOEGKKWVCDQ-HNNXBMFYSA-N 1 0 325.416 1.988 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257334002 443152174 /nfs/dbraw/zinc/15/21/74/443152174.db2.gz YECAHSFOAHEGIF-LPHOPBHVSA-N 1 0 329.444 1.730 40 0 EDABRO O=C(CCn1ncc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257340047 443155011 /nfs/dbraw/zinc/15/50/11/443155011.db2.gz ZEGOLMWKRNMTAA-IAGOWNOFSA-N 1 0 328.416 1.094 40 0 EDABRO O=C(C1CC1)N1CC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000257341593 443155894 /nfs/dbraw/zinc/15/58/94/443155894.db2.gz ZKZIOBMOMWNIDB-LJQANCHMSA-N 1 0 329.444 1.182 40 0 EDABRO COc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=[NH2+])C2)cc1OC ZINC000260418277 443160277 /nfs/dbraw/zinc/16/02/77/443160277.db2.gz TXBDYVWOIKSQJI-JTQLQIEISA-N 1 0 327.406 1.040 40 0 EDABRO CNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccncc2)CC1 ZINC000306133040 444286188 /nfs/dbraw/zinc/28/61/88/444286188.db2.gz LZVKNQBLLDRWHK-UHFFFAOYSA-N 1 0 340.431 1.261 40 0 EDABRO CCNC(=O)NC[C@H]1CC[C@@]2(COCC[N@@H+](C3CCCC3)C2)O1 ZINC000306140607 444287589 /nfs/dbraw/zinc/28/75/89/444287589.db2.gz UYUFYXLZEQVKLE-NVXWUHKLSA-N 1 0 325.453 1.498 40 0 EDABRO c1ncn(-c2ccc(N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nn2)n1 ZINC000409429254 447684401 /nfs/dbraw/zinc/68/44/01/447684401.db2.gz QIYDADDVAUUIBF-IAGOWNOFSA-N 1 0 347.426 1.626 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCc1noc(C[C@H]2CCCC[NH2+]2)n1 ZINC000409441226 447684891 /nfs/dbraw/zinc/68/48/91/447684891.db2.gz OCGDQKZKRPKOKK-GFCCVEGCSA-N 1 0 340.383 1.593 40 0 EDABRO CCc1ncc(C[N@@H+]2CC[C@@H](OC)[C@H](CC(=O)N3CCCC3)C2)cn1 ZINC000585276363 448721767 /nfs/dbraw/zinc/72/17/67/448721767.db2.gz IYRTUQMBEXJGCW-IAGOWNOFSA-N 1 0 346.475 1.888 40 0 EDABRO COC[C@@]1(CC(N)=O)CCC[N@@H+]1Cc1cnn2c1nc(C)cc2C ZINC000585279785 448729139 /nfs/dbraw/zinc/72/91/39/448729139.db2.gz YKAVARQFDTZVMJ-KRWDZBQOSA-N 1 0 331.420 1.203 40 0 EDABRO C[C@@]1(C(N)=O)CCC[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585283256 448731683 /nfs/dbraw/zinc/73/16/83/448731683.db2.gz MNZKDXZAIAVXEF-GOSISDBHSA-N 1 0 349.450 1.744 40 0 EDABRO O[C@@H]1COC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2Cl)[C@@H]1O ZINC000585286562 448732252 /nfs/dbraw/zinc/73/22/52/448732252.db2.gz LJLDNPOFUYVAKB-XWIASGKRSA-N 1 0 339.741 1.817 40 0 EDABRO CCc1ccc(C[NH+]2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290580 448736182 /nfs/dbraw/zinc/73/61/82/448736182.db2.gz FNEFPKHUSACWCA-AQNXPRMDSA-N 1 0 348.487 1.266 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218584971 535596754 /nfs/dbraw/zinc/59/67/54/535596754.db2.gz MPSWWIWTYUUGEJ-IPYPFGDCSA-N 1 0 329.393 1.234 40 0 EDABRO CCS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12 ZINC000253489725 535673490 /nfs/dbraw/zinc/67/34/90/535673490.db2.gz GEUIGSYDGRSSIS-MRVWCRGKSA-N 1 0 330.475 1.134 40 0 EDABRO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])CO)cc1 ZINC000218518338 536194962 /nfs/dbraw/zinc/19/49/62/536194962.db2.gz RFIBODUCCUMGBI-OKZBNKHCSA-N 1 0 331.437 1.879 40 0 EDABRO COc1ccccc1Oc1cncc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000072384461 216185621 /nfs/dbraw/zinc/18/56/21/216185621.db2.gz YHSPZSQNDRWWJF-CYBMUJFWSA-N 1 0 328.372 1.900 40 0 EDABRO COc1ccc(SCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000072782133 216304801 /nfs/dbraw/zinc/30/48/01/216304801.db2.gz UVKWHCOBHSDIFH-UHFFFAOYSA-N 1 0 337.489 1.541 40 0 EDABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 ZINC000072830365 216312925 /nfs/dbraw/zinc/31/29/25/216312925.db2.gz YOBFFHKRICZZEO-CABCVRRESA-N 1 0 345.443 1.876 40 0 EDABRO CC(C)CCOC[C@@H](O)CNCC[NH2+]C[C@H](O)COCCC(C)C ZINC000022584270 212308933 /nfs/dbraw/zinc/30/89/33/212308933.db2.gz OXAYASBURPDVLO-ROUUACIJSA-N 1 0 348.528 1.013 40 0 EDABRO Cc1cc(C)[nH+]c(NNC2=CC(=O)N(c3ccc(F)c(F)c3)C2O)n1 ZINC000020634723 212158341 /nfs/dbraw/zinc/15/83/41/212158341.db2.gz VKGPMUWCIBXUBQ-ZDUSSCGKSA-N 1 0 347.325 1.620 40 0 EDABRO O=C(Cn1cc(Cl)cn1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257214145 244161282 /nfs/dbraw/zinc/16/12/82/244161282.db2.gz CKSWMDNHKNEPQN-UMVBOHGHSA-N 1 0 326.828 1.031 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@](CCCc2ccncc2)(C(=O)N(C)C)C1 ZINC000257227491 244204419 /nfs/dbraw/zinc/20/44/19/244204419.db2.gz FPOFLSGOYRLEPN-IBGZPJMESA-N 1 0 346.475 1.321 40 0 EDABRO Cc1nn(C)c(C)c1CC(=O)N1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257235420 244225381 /nfs/dbraw/zinc/22/53/81/244225381.db2.gz GXTWLZJMIMXRJK-KRWDZBQOSA-N 1 0 343.431 1.465 40 0 EDABRO Cc1cc(C(=O)NCc2cnc(CC3CC[NH+](C)CC3)cn2)no1 ZINC000257236215 244228695 /nfs/dbraw/zinc/22/86/95/244228695.db2.gz HBFLVJJAJUUDDQ-UHFFFAOYSA-N 1 0 329.404 1.587 40 0 EDABRO O=C(CC1(O)CCCCC1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257251646 244270401 /nfs/dbraw/zinc/27/04/01/244270401.db2.gz JRORBLDVKVEGCG-LJQANCHMSA-N 1 0 338.492 1.911 40 0 EDABRO C[NH2+]CC(=O)N1CC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000257274039 244387388 /nfs/dbraw/zinc/38/73/88/244387388.db2.gz NJHJSRSTGGEUOB-CYBMUJFWSA-N 1 0 326.404 1.459 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1ccccc1 ZINC000019369069 212022355 /nfs/dbraw/zinc/02/23/55/212022355.db2.gz FTGGASWWFKBJHL-OAHLLOKOSA-N 1 0 335.411 1.938 40 0 EDABRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Br ZINC000236068972 139026351 /nfs/dbraw/zinc/02/63/51/139026351.db2.gz LHLKTAKOHRBKND-SECBINFHSA-N 1 0 333.613 1.821 40 0 EDABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC[NH+]1CCCCCC1 ZINC000013688953 211612282 /nfs/dbraw/zinc/61/22/82/211612282.db2.gz QLKGXZWSXASGCX-IYBDPMFKSA-N 1 0 347.459 1.320 40 0 EDABRO O=C(c1ccoc1)N1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@@H]2CC1 ZINC000096249367 296276383 /nfs/dbraw/zinc/27/63/83/296276383.db2.gz NARFXCAGVUEGMS-QZTJIDSGSA-N 1 0 347.459 1.681 40 0 EDABRO O=C(N1CCCC1)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000012366012 211357382 /nfs/dbraw/zinc/35/73/82/211357382.db2.gz NGSVPKRRRKJYQU-KBXCAEBGSA-N 1 0 333.432 1.713 40 0 EDABRO C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1ccoc1 ZINC000096062007 218555566 /nfs/dbraw/zinc/55/55/66/218555566.db2.gz HZHUAFKHVTTXNN-HNNXBMFYSA-N 1 0 329.448 1.800 40 0 EDABRO Cc1ccc(CN2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1 ZINC000096197311 218666787 /nfs/dbraw/zinc/66/67/87/218666787.db2.gz IUCALMCKDGQECC-UHFFFAOYSA-N 1 0 339.487 1.955 40 0 EDABRO CS(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc3)CC[NH2+]CC[C@@H]12 ZINC000306125962 257917713 /nfs/dbraw/zinc/91/77/13/257917713.db2.gz DHGIFBBOFXKLOI-ZBFHGGJFSA-N 1 0 337.445 1.029 40 0 EDABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C[NH3+])cc1 ZINC000218601901 273770560 /nfs/dbraw/zinc/77/05/60/273770560.db2.gz GYOCTJNJWBUSNI-KZNAEPCWSA-N 1 0 330.453 1.845 40 0 EDABRO CCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2C ZINC000257342924 276312857 /nfs/dbraw/zinc/31/28/57/276312857.db2.gz ZQQAAOLIGUOMIU-KZNAEPCWSA-N 1 0 332.444 1.978 40 0 EDABRO [NH3+][C@]1(CO)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218061122 279692198 /nfs/dbraw/zinc/69/21/98/279692198.db2.gz CPMGZWJFQHDAPZ-HRCADAONSA-N 1 0 337.828 1.970 40 0 EDABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCCCC2)no1 ZINC000015673426 441207561 /nfs/dbraw/zinc/20/75/61/441207561.db2.gz FFJYKIYIPNTPDI-GJZGRUSLSA-N 1 0 335.448 1.992 40 0 biogenic,in-vitro EDABRO CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(C(=O)N1CCCC1)C2 ZINC000107738747 441428959 /nfs/dbraw/zinc/42/89/59/441428959.db2.gz BJROJFCKNVYNAG-SJLPKXTDSA-N 1 0 339.480 1.650 40 0 EDABRO Cn1cncc1C[N@@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108526232 441458815 /nfs/dbraw/zinc/45/88/15/441458815.db2.gz UOORAYDIIMPANB-UHFFFAOYSA-N 1 0 331.445 1.661 40 0 EDABRO COCCNC(=O)[C@H]1CO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000096042643 441991741 /nfs/dbraw/zinc/99/17/41/441991741.db2.gz YUWCHAIFPNLNCB-KURKYZTESA-N 1 0 332.444 1.676 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)cn1 ZINC000096048976 441996849 /nfs/dbraw/zinc/99/68/49/441996849.db2.gz YUNVXHMITZZATR-UHFFFAOYSA-N 1 0 347.488 1.744 40 0 EDABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccccn2)CC12CCOCC2 ZINC000096052137 442001037 /nfs/dbraw/zinc/00/10/37/442001037.db2.gz FWKFZIIUPXKJFG-QGZVFWFLSA-N 1 0 329.444 1.836 40 0 EDABRO O=C([C@@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2)N1CCCC1 ZINC000096052190 442001542 /nfs/dbraw/zinc/00/15/42/442001542.db2.gz DGXIYPBLVMJWCR-KRWDZBQOSA-N 1 0 329.444 1.933 40 0 EDABRO O=C(Nc1cccnc1)[C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096038624 441983795 /nfs/dbraw/zinc/98/37/95/441983795.db2.gz VUJVQSOBBSMSLU-KBAYOESNSA-N 1 0 338.411 1.810 40 0 EDABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)N1CCC(F)CC1 ZINC000096038631 441983930 /nfs/dbraw/zinc/98/39/30/441983930.db2.gz PWPOXAXZKMTVTM-KBAYOESNSA-N 1 0 347.434 1.737 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccco1)C2 ZINC000096039529 441985709 /nfs/dbraw/zinc/98/57/09/441985709.db2.gz LTYGDNFTKVJDMB-SJLPKXTDSA-N 1 0 336.432 1.869 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096040760 441986720 /nfs/dbraw/zinc/98/67/20/441986720.db2.gz RSNPJLPORLHCDV-UPJWGTAASA-N 1 0 345.428 1.266 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21)N1CCCC1 ZINC000096057207 442004254 /nfs/dbraw/zinc/00/42/54/442004254.db2.gz OJMDHSPFFVFSHL-KFWWJZLASA-N 1 0 335.473 1.850 40 0 EDABRO C[NH+]1CCN(Cc2cn3c(n2)CN(Cc2nccs2)CC3)CC1 ZINC000096059422 442007060 /nfs/dbraw/zinc/00/70/60/442007060.db2.gz HSRUSFQXTCWUGB-UHFFFAOYSA-N 1 0 332.477 1.103 40 0 EDABRO CCCS(=O)(=O)N1CC[C@]2(C[C@@H](OCC[NH+]3CCCC3)CO2)C1 ZINC000096107733 442030038 /nfs/dbraw/zinc/03/00/38/442030038.db2.gz NVDCJMGJLQZKCI-CVEARBPZSA-N 1 0 346.493 1.072 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(C)n1)CC[C@H]2OC ZINC000096108546 442033232 /nfs/dbraw/zinc/03/32/32/442033232.db2.gz VWLHPJPLBRLNHT-USXIJHARSA-N 1 0 333.432 1.198 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096224683 442093031 /nfs/dbraw/zinc/09/30/31/442093031.db2.gz STHROBSLCBORLS-LJQANCHMSA-N 1 0 347.434 1.728 40 0 EDABRO C[NH+](C)CCN1CCOCC12CCN(C(=O)c1cccs1)CC2 ZINC000096226193 442094221 /nfs/dbraw/zinc/09/42/21/442094221.db2.gz PNJVCSOMWGHOMK-UHFFFAOYSA-N 1 0 337.489 1.617 40 0 EDABRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000096189057 442067030 /nfs/dbraw/zinc/06/70/30/442067030.db2.gz ZYILWMVXNGRDQO-CQSZACIVSA-N 1 0 348.472 1.681 40 0 EDABRO Cc1ccoc1C(=O)N1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC000096196655 442069125 /nfs/dbraw/zinc/06/91/25/442069125.db2.gz GABQMVTVHGYYOC-UHFFFAOYSA-N 1 0 343.427 1.552 40 0 EDABRO Cc1noc(C)c1C[NH2+]C[C@H]1Cn2nnc(-c3ccncc3)c2CO1 ZINC000096199252 442072779 /nfs/dbraw/zinc/07/27/79/442072779.db2.gz PKIBWTIJAVKDAS-AWEZNQCLSA-N 1 0 340.387 1.634 40 0 EDABRO COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096202379 442079013 /nfs/dbraw/zinc/07/90/13/442079013.db2.gz CHQWNHVNTXHLAM-APWZRJJASA-N 1 0 349.475 1.507 40 0 EDABRO COCCNC(=O)C[C@H]1OC[C@H]2C[N@H+](Cc3ccc(C)o3)CC[C@H]21 ZINC000096207069 442080572 /nfs/dbraw/zinc/08/05/72/442080572.db2.gz CSJPSXZAZRXFBT-DJIMGWMZSA-N 1 0 336.432 1.578 40 0 EDABRO O=S(=O)(NC[C@]12COC[C@H]1C[N@@H+](C1CCC1)C2)c1ccccc1 ZINC000096208324 442083735 /nfs/dbraw/zinc/08/37/35/442083735.db2.gz QSGABFWVQYJJDU-PBHICJAKSA-N 1 0 336.457 1.466 40 0 EDABRO COc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nc(C)n[nH]2)C1 ZINC000096209140 442084277 /nfs/dbraw/zinc/08/42/77/442084277.db2.gz WFTAGMIIKPHIJU-OAGGEKHMSA-N 1 0 343.431 1.596 40 0 EDABRO COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1OC ZINC000120956111 442157534 /nfs/dbraw/zinc/15/75/34/442157534.db2.gz MONIGSCVQQOHOY-UHFFFAOYSA-N 1 0 342.461 1.714 40 0 EDABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)n1 ZINC000257304086 443139302 /nfs/dbraw/zinc/13/93/02/443139302.db2.gz SJZQRLISBOASRG-HNNXBMFYSA-N 1 0 338.477 1.948 40 0 EDABRO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257310881 443142496 /nfs/dbraw/zinc/14/24/96/443142496.db2.gz UHAITAIBVYGOMD-BDXSIMOUSA-N 1 0 332.444 1.804 40 0 EDABRO CC(C)[NH+]1CCN(CC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000257228976 443125754 /nfs/dbraw/zinc/12/57/54/443125754.db2.gz FWBHLZHHEOJCCL-MRXNPFEDSA-N 1 0 331.464 1.209 40 0 EDABRO Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1 ZINC000257282705 443128940 /nfs/dbraw/zinc/12/89/40/443128940.db2.gz OUXQOFMTRGOKAP-GJZGRUSLSA-N 1 0 337.420 1.059 40 0 EDABRO COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C[NH3+])cc1 ZINC000242723183 443211945 /nfs/dbraw/zinc/21/19/45/443211945.db2.gz YFJSAXROTFWLGP-SQNIBIBYSA-N 1 0 346.452 1.600 40 0 EDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](C(C)C)C[C@@H]32)cc1 ZINC000306141942 444287615 /nfs/dbraw/zinc/28/76/15/444287615.db2.gz WKXQPDOAYLVKNW-JKSUJKDBSA-N 1 0 340.427 1.199 40 0 EDABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCCO)[nH+]1 ZINC000328985758 444434022 /nfs/dbraw/zinc/43/40/22/444434022.db2.gz HVDLASXYFVKGQH-ZDUSSCGKSA-N 1 0 342.443 2.059 40 0 EDABRO CC(C)C(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290445 448162384 /nfs/dbraw/zinc/16/23/84/448162384.db2.gz ZWYWQHNXKXUGRA-QZTJIDSGSA-N 1 0 343.471 1.174 40 0 biogenic,in-vitro EDABRO CNC(=O)C[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)CC[C@H]1OC ZINC000585275331 448719761 /nfs/dbraw/zinc/71/97/61/448719761.db2.gz CQCLAMFNKKZDNI-GDBMZVCRSA-N 1 0 339.480 1.251 40 0 EDABRO Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2C[NH+]2CCCC2)n1 ZINC000585098160 448682569 /nfs/dbraw/zinc/68/25/69/448682569.db2.gz VHTNEKGKJDWMBC-INIZCTEOSA-N 1 0 342.447 1.056 40 0 EDABRO COCc1nnc2n1CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@@H](C)C2 ZINC000585097489 448683046 /nfs/dbraw/zinc/68/30/46/448683046.db2.gz KKPNYQNYGXPOLY-ZDUSSCGKSA-N 1 0 346.431 1.889 40 0 EDABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000585284627 448731817 /nfs/dbraw/zinc/73/18/17/448731817.db2.gz UCSRQHABZLBJMY-LJQANCHMSA-N 1 0 345.487 1.914 40 0 EDABRO CCOCC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257224247 535412330 /nfs/dbraw/zinc/41/23/30/535412330.db2.gz FAXZIWWWQMQKFS-HKUYNNGSSA-N 1 0 332.444 1.651 40 0 EDABRO COC(=O)CC[N@@H+]1CCCC[C@H]2CN(c3ncnc4nc[nH]c43)C[C@H]21 ZINC000072330683 216155131 /nfs/dbraw/zinc/15/51/31/216155131.db2.gz XHQZKLOUXHFUGJ-QWHCGFSZSA-N 1 0 344.419 1.207 40 0 EDABRO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2)C[C@@](O)(Cn2cccn2)C1 ZINC000072354435 216162776 /nfs/dbraw/zinc/16/27/76/216162776.db2.gz MYQXRRKSQKXQHJ-QGZVFWFLSA-N 1 0 348.834 1.355 40 0 EDABRO CN(C)c1cc(C[NH+](C)C)nc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072352022 216162993 /nfs/dbraw/zinc/16/29/93/216162993.db2.gz SLDRFHHQOSRSMA-CQSZACIVSA-N 1 0 341.463 1.778 40 0 EDABRO Cc1cc(C)nc(Nc2nccnc2C2CC[NH+](CCO)CC2)n1 ZINC000072363461 216169872 /nfs/dbraw/zinc/16/98/72/216169872.db2.gz KHWLRCJZIHVAME-UHFFFAOYSA-N 1 0 328.420 1.799 40 0 EDABRO CC(=O)N1CCC[C@](O)(C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000072367440 216174641 /nfs/dbraw/zinc/17/46/41/216174641.db2.gz AMKLRDNUEYEHPF-LJQANCHMSA-N 1 0 346.475 1.728 40 0 EDABRO NC(=O)C[NH+]1CCC(Cc2cc(Nc3ccccn3)ncn2)CC1 ZINC000072383579 216183884 /nfs/dbraw/zinc/18/38/84/216183884.db2.gz PMSCQZVGFVONOU-UHFFFAOYSA-N 1 0 326.404 1.355 40 0 EDABRO CN(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000072510397 216265326 /nfs/dbraw/zinc/26/53/26/216265326.db2.gz QYAVFOKORNAERZ-UHFFFAOYSA-N 1 0 347.868 1.028 40 0 EDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1 ZINC000072830362 216312161 /nfs/dbraw/zinc/31/21/61/216312161.db2.gz YOBFFHKRICZZEO-GJZGRUSLSA-N 1 0 345.443 1.876 40 0 EDABRO Cc1cccc(CS(=O)(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000022933344 212336334 /nfs/dbraw/zinc/33/63/34/212336334.db2.gz JFLDWZYLPTZIBF-UHFFFAOYSA-N 1 0 325.478 1.052 40 0 EDABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000022864087 212330283 /nfs/dbraw/zinc/33/02/83/212330283.db2.gz ZNFDJDFYHDTIPH-INIZCTEOSA-N 1 0 347.459 1.143 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H]([NH3+])[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000218173739 241303084 /nfs/dbraw/zinc/30/30/84/241303084.db2.gz YCKAMNPVQMGNAF-YESZJQIVSA-N 1 0 331.393 1.991 40 0 EDABRO Cn1ccnc1C[NH+]1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000257234031 244223401 /nfs/dbraw/zinc/22/34/01/244223401.db2.gz GRUSZZFSVHFPIS-INIZCTEOSA-N 1 0 327.432 1.824 40 0 EDABRO Cc1nc(CC(=O)N2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)cs1 ZINC000257241457 244245364 /nfs/dbraw/zinc/24/53/64/244245364.db2.gz HYCDJDGENFYPQN-HNNXBMFYSA-N 1 0 332.429 1.880 40 0 EDABRO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)C[NH+]1CCCC1)C2 ZINC000257248620 244264127 /nfs/dbraw/zinc/26/41/27/244264127.db2.gz JEMCYAVQASJZKM-MJQMVNBJSA-N 1 0 333.476 1.863 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257256325 244280512 /nfs/dbraw/zinc/28/05/12/244280512.db2.gz KKZJOCTZRZNTSN-OAHLLOKOSA-N 1 0 327.375 1.333 40 0 EDABRO NC(=O)[C@H]1CCCN(C(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257277135 244394342 /nfs/dbraw/zinc/39/43/42/244394342.db2.gz NWOQONVDXREJTO-HNNXBMFYSA-N 1 0 338.411 1.545 40 0 EDABRO O=c1cc(CCC[NH+]2CCOCC2)nc(NCc2ccc(F)cc2)[nH]1 ZINC000019334737 212017444 /nfs/dbraw/zinc/01/74/44/212017444.db2.gz OTIGUROKCKAGFB-UHFFFAOYSA-N 1 0 346.406 1.786 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012089002 211288975 /nfs/dbraw/zinc/28/89/75/211288975.db2.gz ZVRMPUDBLPLPRN-INIZCTEOSA-N 1 0 330.432 1.373 40 0 EDABRO Fc1cnc(N2CCOC3(CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000096159072 218634366 /nfs/dbraw/zinc/63/43/66/218634366.db2.gz ZTTZHDQSWDQCEE-UHFFFAOYSA-N 1 0 343.406 1.882 40 0 EDABRO CO[C@H]1CCN(C(=O)c2ccc(OCC[NH3+])cc2)C[C@@]12CCCO2 ZINC000257298890 286055137 /nfs/dbraw/zinc/05/51/37/286055137.db2.gz RNROZKRRLMTLSF-WMZOPIPTSA-N 1 0 334.416 1.434 40 0 EDABRO CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096243544 273956342 /nfs/dbraw/zinc/95/63/42/273956342.db2.gz WUOXWBSUYFUIIA-CQSZACIVSA-N 1 0 346.456 1.581 40 0 EDABRO CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257252629 276747353 /nfs/dbraw/zinc/74/73/53/276747353.db2.gz JVMQMLGORYCGEO-BFYDXBDKSA-N 1 0 346.427 1.518 40 0 EDABRO COC[C@H]1C[N@H+](CC(C)C)CC12CCN(S(=O)(=O)N(C)C)CC2 ZINC000247941596 293233056 /nfs/dbraw/zinc/23/30/56/293233056.db2.gz IRNLQSRUQUBHHY-OAHLLOKOSA-N 1 0 347.525 1.109 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391347 298944600 /nfs/dbraw/zinc/94/46/00/298944600.db2.gz NSCULTFJGXIHGV-QWHCGFSZSA-N 1 0 325.453 1.972 40 0 EDABRO O=C(NCCCC[NH2+]CCCNC(=O)C(F)(F)F)C(F)(F)F ZINC000005501391 440956681 /nfs/dbraw/zinc/95/66/81/440956681.db2.gz PJFHRRVCKBIDSR-UHFFFAOYSA-N 1 0 337.264 1.103 40 0 EDABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000009062979 441102667 /nfs/dbraw/zinc/10/26/67/441102667.db2.gz QJBAUNWHDFSFTL-UHFFFAOYSA-N 1 0 345.487 1.655 40 0 EDABRO CC(C)[N@@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334494 441230033 /nfs/dbraw/zinc/23/00/33/441230033.db2.gz AUPQIIBJLXGADX-OXJNMPFZSA-N 1 0 343.471 1.966 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)[C@H]1CC=CCC1 ZINC000019404422 441256282 /nfs/dbraw/zinc/25/62/82/441256282.db2.gz POHXILHRTPYKRY-UONOGXRCSA-N 1 0 340.431 1.376 40 0 EDABRO COc1cc(N2CCC[C@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)ncn1 ZINC000107790510 441431151 /nfs/dbraw/zinc/43/11/51/441431151.db2.gz KHMYICPPSZOJLN-YJBOKZPZSA-N 1 0 348.447 1.193 40 0 EDABRO O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000107191518 441402925 /nfs/dbraw/zinc/40/29/25/441402925.db2.gz UIVVIMRXKUMEGD-QFBILLFUSA-N 1 0 329.444 1.933 40 0 EDABRO Cc1ncc(C[N@@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 ZINC000108525012 441459502 /nfs/dbraw/zinc/45/95/02/441459502.db2.gz RAZWWTZAWJJQHX-UHFFFAOYSA-N 1 0 337.427 1.965 40 0 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CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306123752 444284777 /nfs/dbraw/zinc/28/47/77/444284777.db2.gz AVSCJEIGXWMWJL-GJZGRUSLSA-N 1 0 340.431 1.116 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306129090 444285785 /nfs/dbraw/zinc/28/57/85/444285785.db2.gz HUCWTQJRKZOIOY-HUUCEWRRSA-N 1 0 340.431 1.116 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306132741 444286255 /nfs/dbraw/zinc/28/62/55/444286255.db2.gz LQSUKKYFXLLQKM-KBPBESRZSA-N 1 0 345.472 1.782 40 0 EDABRO C[NH+](C)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000306140370 444287604 /nfs/dbraw/zinc/28/76/04/444287604.db2.gz URFMTPJUYLZGSB-CYBMUJFWSA-N 1 0 330.407 1.999 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCc1noc(C[C@@H]2CCCC[NH2+]2)n1 ZINC000409441227 447684439 /nfs/dbraw/zinc/68/44/39/447684439.db2.gz OCGDQKZKRPKOKK-LBPRGKRZSA-N 1 0 340.383 1.593 40 0 EDABRO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(C[NH+](C4CCCC4)C3)N2C1 ZINC000514288975 448161016 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EDABRO CNc1ncc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)cn1 ZINC000585280082 448729403 /nfs/dbraw/zinc/72/94/03/448729403.db2.gz YAIUFJANURMXPF-WBVHZDCISA-N 1 0 330.407 2.083 40 0 EDABRO C/C=C(\C)C(=O)O[C@@H]1[C@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@@H]([C@@H]1O)[N@H+]2C ZINC000086049494 485570080 /nfs/dbraw/zinc/57/00/80/485570080.db2.gz FRQMNJFBOJQRAQ-KCRLEBACSA-N 1 0 337.416 1.580 40 0 in-man EDABRO CN(C)S(=O)(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2C ZINC000257264840 536093543 /nfs/dbraw/zinc/09/35/43/536093543.db2.gz LWFGWZNPEMFRBQ-ULQDDVLXSA-N 1 0 337.489 1.745 40 0 EDABRO CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]CCCc3ccccc3)CO[C@H]12 ZINC000004236512 210147973 /nfs/dbraw/zinc/14/79/73/210147973.db2.gz YLUATWFDESGAQV-YLFCFFPRSA-N 1 0 334.416 1.490 40 0 biogenic,in-vitro EDABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(N3CCOCC3)c2CC1 ZINC000096255709 282384873 /nfs/dbraw/zinc/38/48/73/282384873.db2.gz NVFORCWHJSSDQI-UHFFFAOYSA-N 1 0 343.431 1.519 40 0 EDABRO 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C[C@H](C(=O)NCCC[NH+](C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013671682 211603690 /nfs/dbraw/zinc/60/36/90/211603690.db2.gz YEACFEYFIPPWIL-GFCCVEGCSA-N 1 0 345.440 1.048 40 0 EDABRO O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCCC3)O2)C1 ZINC000096063365 296264544 /nfs/dbraw/zinc/26/45/44/296264544.db2.gz NFNUESOEHBMQSB-IEBWSBKVSA-N 1 0 345.443 1.568 40 0 EDABRO Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccnc2)n1 ZINC000012133970 211301670 /nfs/dbraw/zinc/30/16/70/211301670.db2.gz WNOAIRTXJHSVBA-JJTKIYQPSA-N 1 0 340.427 1.505 40 0 EDABRO C[C@@H]1c2ncc(COCc3ccccn3)n2CCN1C(=O)C[NH+](C)C ZINC000096206354 218680252 /nfs/dbraw/zinc/68/02/52/218680252.db2.gz RIJNLPRSHPKYOO-CQSZACIVSA-N 1 0 343.431 1.460 40 0 EDABRO CCn1nc(C)cc1C(=O)N1CCC2(C[C@H](COC)[N@H+](C)C2)CC1 ZINC000096206561 218680551 /nfs/dbraw/zinc/68/05/51/218680551.db2.gz LTTJSCRCZVHSPC-OAHLLOKOSA-N 1 0 334.464 1.784 40 0 EDABRO c1cn2c(n1)CN(c1ncccn1)C[C@H](COCC[NH+]1CCCC1)C2 ZINC000096066863 275073103 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Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1NS(C)(=O)=O ZINC000113942339 441628186 /nfs/dbraw/zinc/62/81/86/441628186.db2.gz LYKGDBILDAZYGB-UHFFFAOYSA-N 1 0 325.434 1.191 40 0 EDABRO O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@H]2O1 ZINC000096043077 441990819 /nfs/dbraw/zinc/99/08/19/441990819.db2.gz VBAFLGSXVSUPCG-RYQLBKOJSA-N 1 0 345.443 1.926 40 0 EDABRO CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096047840 441995823 /nfs/dbraw/zinc/99/58/23/441995823.db2.gz IBJVAZFSPFKAIP-MRXNPFEDSA-N 1 0 340.464 1.141 40 0 EDABRO c1cc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)ccn1 ZINC000096052030 442000189 /nfs/dbraw/zinc/00/01/89/442000189.db2.gz MDFLFNLRLXNNOU-RTBURBONSA-N 1 0 331.460 1.785 40 0 EDABRO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054384 442001202 /nfs/dbraw/zinc/00/12/02/442001202.db2.gz QHFJBWHJEGFNFQ-CVEARBPZSA-N 1 0 335.473 1.369 40 0 EDABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21)N1CCC(F)CC1 ZINC000096038630 441983878 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Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1cccs1)C2 ZINC000096060654 442008097 /nfs/dbraw/zinc/00/80/97/442008097.db2.gz ZAUKZPUGKAOVIM-CYBMUJFWSA-N 1 0 335.477 1.554 40 0 EDABRO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCN(CC(=O)N(C)C)C2=O ZINC000096070302 442018671 /nfs/dbraw/zinc/01/86/71/442018671.db2.gz YIYUKWGJRNNMNB-CXAGYDPISA-N 1 0 335.473 1.507 40 0 EDABRO COC(=O)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@@H]2C1 ZINC000096080937 442023620 /nfs/dbraw/zinc/02/36/20/442023620.db2.gz AFMBRHIHIKEHNO-CALCHBBNSA-N 1 0 330.428 1.838 40 0 EDABRO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107703 442030694 /nfs/dbraw/zinc/03/06/94/442030694.db2.gz JIPKXAKLEYEEBN-PBHICJAKSA-N 1 0 338.473 1.895 40 0 EDABRO Cn1cccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC000096108150 442032242 /nfs/dbraw/zinc/03/22/42/442032242.db2.gz FCIVQKOXXZTKAT-WMLDXEAASA-N 1 0 329.400 1.591 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)CC[C@H]2OC ZINC000096108537 442033571 /nfs/dbraw/zinc/03/35/71/442033571.db2.gz XPPOAWFFIVZXFI-ARFHVFGLSA-N 1 0 346.427 1.525 40 0 EDABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1CCN1CCOCC1 ZINC000096110746 442035798 /nfs/dbraw/zinc/03/57/98/442035798.db2.gz PFELCYRCPSSCNL-IAGOWNOFSA-N 1 0 349.500 1.646 40 0 EDABRO O=C([C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1)N1CCCO1 ZINC000096111140 442036263 /nfs/dbraw/zinc/03/62/63/442036263.db2.gz ABIRLWWJYUSUOM-MRXNPFEDSA-N 1 0 331.416 1.759 40 0 EDABRO CC(=O)N1CCC([NH2+]C[C@H]2COCc3nc4ccccc4n32)CC1 ZINC000096112702 442037757 /nfs/dbraw/zinc/03/77/57/442037757.db2.gz NIECSDIAPLJULU-HNNXBMFYSA-N 1 0 328.416 1.708 40 0 biogenic,in-vitro EDABRO COc1ncccc1C[N@@H+]1CC[C@H]2[C@H](CNC(=O)C3CC3)OC[C@H]2C1 ZINC000096185303 442059523 /nfs/dbraw/zinc/05/95/23/442059523.db2.gz FUIYRSZKTSADCC-ZACQAIPSSA-N 1 0 345.443 1.453 40 0 EDABRO c1cc(C[N@H+]2CCc3ncc(CN4CCOCC4)n3CC2)cs1 ZINC000096196903 442070313 /nfs/dbraw/zinc/07/03/13/442070313.db2.gz IJHXVDVZJWRSRB-UHFFFAOYSA-N 1 0 332.473 1.835 40 0 EDABRO Cc1noc(C)c1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC000096196938 442071046 /nfs/dbraw/zinc/07/10/46/442071046.db2.gz OZJXLVZJSJTPGD-UHFFFAOYSA-N 1 0 326.404 1.791 40 0 EDABRO Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2ccoc2)cn1 ZINC000096200952 442074857 /nfs/dbraw/zinc/07/48/57/442074857.db2.gz KELPZAJJXSONBT-MSOLQXFVSA-N 1 0 330.432 1.531 40 0 EDABRO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)N(C)C)O[C@@H]3C2)cc(OC)c1 ZINC000096206616 442080637 /nfs/dbraw/zinc/08/06/37/442080637.db2.gz WZHKAGSKDIZSFV-JCGIZDLHSA-N 1 0 348.443 1.771 40 0 EDABRO Cn1nccc1C(=O)N1C[C@@H]2C[N@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096206877 442080763 /nfs/dbraw/zinc/08/07/63/442080763.db2.gz NWFXLROVBCZCHU-XJKSGUPXSA-N 1 0 346.456 1.455 40 0 EDABRO CC(C)[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(S(C)(=O)=O)CC2 ZINC000096207075 442081980 /nfs/dbraw/zinc/08/19/80/442081980.db2.gz MEMVXHOJDORIHH-INIZCTEOSA-N 1 0 344.521 1.938 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC000096217742 442088188 /nfs/dbraw/zinc/08/81/88/442088188.db2.gz YRWXBLBQFYEWNO-INIZCTEOSA-N 1 0 347.459 1.667 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H](NS(C)(=O)=O)CCO3)cc1 ZINC000096217694 442088529 /nfs/dbraw/zinc/08/85/29/442088529.db2.gz JDJHEVLMUAGTAP-IAGOWNOFSA-N 1 0 338.473 1.668 40 0 EDABRO O=C1NC[C@@H](COc2ccccn2)[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096218372 442089101 /nfs/dbraw/zinc/08/91/01/442089101.db2.gz LTJJVBYEMKILRR-SUMWQHHRSA-N 1 0 344.440 1.555 40 0 EDABRO C[NH+](C)CCN1CCOCC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000096239849 442099681 /nfs/dbraw/zinc/09/96/81/442099681.db2.gz NOFHLSJCLJXONU-UHFFFAOYSA-N 1 0 346.475 1.198 40 0 EDABRO C(OCC1CCOCC1)[C@H]1CCOC12C[NH+](C1CCOCC1)C2 ZINC000247820556 442869668 /nfs/dbraw/zinc/86/96/68/442869668.db2.gz CTWHIMSUQZDYHX-MRXNPFEDSA-N 1 0 325.449 1.700 40 0 EDABRO CCc1cc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)on1 ZINC000257286405 443131829 /nfs/dbraw/zinc/13/18/29/443131829.db2.gz PLMQIDUJSUBWPY-CQSZACIVSA-N 1 0 330.388 1.688 40 0 EDABRO O=C(Cc1c[nH]c2ccccc12)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257306955 443140905 /nfs/dbraw/zinc/14/09/05/443140905.db2.gz SWRWBADQEFPKKM-IBGZPJMESA-N 1 0 327.428 1.770 40 0 EDABRO O=C(c1cccnc1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257313861 443143360 /nfs/dbraw/zinc/14/33/60/443143360.db2.gz UUJWPRSEOPNBGJ-HNNXBMFYSA-N 1 0 325.359 1.390 40 0 EDABRO COc1ccccc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1 ZINC000257319520 443144999 /nfs/dbraw/zinc/14/49/99/443144999.db2.gz VSXJBJMRXNGBIA-MRXNPFEDSA-N 1 0 347.459 1.093 40 0 EDABRO Cc1cncc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)c1 ZINC000257278837 443126834 /nfs/dbraw/zinc/12/68/34/443126834.db2.gz ODVWHEUUCOINFO-WMZOPIPTSA-N 1 0 347.459 1.466 40 0 EDABRO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12)C1CC1 ZINC000245482270 443231087 /nfs/dbraw/zinc/23/10/87/443231087.db2.gz AZSYIHZFVGJUQK-KCPJHIHWSA-N 1 0 342.486 1.277 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306130744 444285494 /nfs/dbraw/zinc/28/54/94/444285494.db2.gz JOHILYODECFVKI-RYUDHWBXSA-N 1 0 327.388 1.068 40 0 EDABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(NC)[nH+]1 ZINC000329035935 444453668 /nfs/dbraw/zinc/45/36/68/444453668.db2.gz RGQSDJGQHLKLLZ-UHFFFAOYSA-N 1 0 326.400 2.430 40 0 EDABRO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CC2CC2)CC[C@@]1(C)O ZINC000514289724 448160260 /nfs/dbraw/zinc/16/02/60/448160260.db2.gz CWYRCTVNVAXBCL-YESZJQIVSA-N 1 0 338.473 1.787 40 0 biogenic,in-vitro EDABRO CCCS(=O)(=O)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585111781 448692555 /nfs/dbraw/zinc/69/25/55/448692555.db2.gz BSIHYCXKXPXOPY-OAHLLOKOSA-N 1 0 326.466 1.466 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585276985 448723251 /nfs/dbraw/zinc/72/32/51/448723251.db2.gz RAXSARKSQITVHX-LJQANCHMSA-N 1 0 332.444 1.822 40 0 EDABRO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](CC2(O)CCOCC2)C1 ZINC000585279130 448727694 /nfs/dbraw/zinc/72/76/94/448727694.db2.gz VECKZTLCXYEXQP-GOSISDBHSA-N 1 0 339.407 1.837 40 0 EDABRO C[C@]1(C(N)=O)CCC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1 ZINC000585289339 448734085 /nfs/dbraw/zinc/73/40/85/448734085.db2.gz PZIGTTDOGXQKJD-FAJBIJEISA-N 1 0 332.444 1.935 40 0 EDABRO CC(=O)NC1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289049 448734453 /nfs/dbraw/zinc/73/44/53/448734453.db2.gz MTZRUUDGFJZSJC-IPMKNSEASA-N 1 0 332.444 1.948 40 0 EDABRO COc1ccc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257248855 536730156 /nfs/dbraw/zinc/73/01/56/536730156.db2.gz JFMZVEWXLAEBNT-OAHLLOKOSA-N 1 0 342.399 1.541 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)no1 ZINC000097953548 219063992 /nfs/dbraw/zinc/06/39/92/219063992.db2.gz LPMVTQLJRKWJMX-INMHGKMJSA-N 1 0 333.432 1.690 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)n1 ZINC000097953379 219064005 /nfs/dbraw/zinc/06/40/05/219064005.db2.gz OUKDCAPMCHXMBF-SJLPKXTDSA-N 1 0 331.416 1.535 40 0 EDABRO CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000100746711 219105780 /nfs/dbraw/zinc/10/57/80/219105780.db2.gz PNKPTMSJBUMVDP-UKPHBRMFSA-N 1 0 344.459 1.991 40 0 EDABRO N[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218577171 283525723 /nfs/dbraw/zinc/52/57/23/283525723.db2.gz RDDKBKLXRXKVJK-JYJNAYRXSA-N 1 0 336.844 1.936 40 0 EDABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(N3CCCC3)c2C1 ZINC000072372169 216177969 /nfs/dbraw/zinc/17/79/69/216177969.db2.gz LGCGBYIVEKUFJW-UHFFFAOYSA-N 1 0 343.475 1.791 40 0 EDABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000072859185 216319344 /nfs/dbraw/zinc/31/93/44/216319344.db2.gz OFHDGVZZOLBNHF-AWEZNQCLSA-N 1 0 331.416 1.439 40 0 EDABRO Cc1cc(C)c(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C)c1 ZINC000022912870 212332425 /nfs/dbraw/zinc/33/24/25/212332425.db2.gz MMMREMHVZQNZDZ-UHFFFAOYSA-N 1 0 325.478 1.138 40 0 EDABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022515504 212303287 /nfs/dbraw/zinc/30/32/87/212303287.db2.gz RWRAEAHOYYNVDM-KRWDZBQOSA-N 1 0 337.439 1.737 40 0 EDABRO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+]([C@H]1CCOC1)C2 ZINC000253588593 244024156 /nfs/dbraw/zinc/02/41/56/244024156.db2.gz JJANFKZRZLXKJJ-QAPCUYQASA-N 1 0 328.416 1.716 40 0 EDABRO Nc1cc(CC[C@@H]2CN(C(=O)CCCn3cccn3)CCO2)cc[nH+]1 ZINC000257211881 244154725 /nfs/dbraw/zinc/15/47/25/244154725.db2.gz CAXMKJULUTWJJL-MRXNPFEDSA-N 1 0 343.431 1.501 40 0 EDABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1 ZINC000257226589 244202803 /nfs/dbraw/zinc/20/28/03/244202803.db2.gz FLGWQABOMKRFFG-QGZVFWFLSA-N 1 0 343.431 1.698 40 0 EDABRO CCCS(=O)(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257237993 244235800 /nfs/dbraw/zinc/23/58/00/244235800.db2.gz HJDBROKZIRCYJU-UHFFFAOYSA-N 1 0 340.493 1.533 40 0 EDABRO Cn1nccc1CCC(=O)N1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257247877 244260208 /nfs/dbraw/zinc/26/02/08/244260208.db2.gz JAYUPFUWZPFIJG-MRXNPFEDSA-N 1 0 343.431 1.190 40 0 EDABRO Cn1cc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c2ccccc21 ZINC000257266717 244364088 /nfs/dbraw/zinc/36/40/88/244364088.db2.gz MEEDQTAZUGRXNH-KBAYOESNSA-N 1 0 327.428 1.896 40 0 EDABRO CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)CC1 ZINC000257277449 244397870 /nfs/dbraw/zinc/39/78/70/244397870.db2.gz NYAHTTYEYUOVIC-QGZVFWFLSA-N 1 0 331.460 1.710 40 0 EDABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019581873 212047252 /nfs/dbraw/zinc/04/72/52/212047252.db2.gz IQHUNDHZBMQYAA-WBVHZDCISA-N 1 0 344.459 1.373 40 0 EDABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)C3CC3)C2)c2nccnc21 ZINC000019583026 212046956 /nfs/dbraw/zinc/04/69/56/212046956.db2.gz BPAJVIMMVHOBLH-CYBMUJFWSA-N 1 0 328.420 1.114 40 0 EDABRO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000019590083 212049478 /nfs/dbraw/zinc/04/94/78/212049478.db2.gz ADXHFFDSGXLVMH-IAGOWNOFSA-N 1 0 325.403 1.147 40 0 EDABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000019575220 212046194 /nfs/dbraw/zinc/04/61/94/212046194.db2.gz YSLQVUOJLZKJEI-VHDGCEQUSA-N 1 0 336.432 1.352 40 0 EDABRO COc1cc(OC)c(OC)cc1CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000019575222 212045554 /nfs/dbraw/zinc/04/55/54/212045554.db2.gz YSLQVUOJLZKJEI-BPLDGKMQSA-N 1 0 336.432 1.352 40 0 EDABRO COc1c(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c(C)nn1C ZINC000019577971 212045136 /nfs/dbraw/zinc/04/51/36/212045136.db2.gz CKPARNXSDXCOFI-INIZCTEOSA-N 1 0 342.447 1.510 40 0 EDABRO O=C([C@@H]1CCC[NH2+]C1)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000019346447 212019160 /nfs/dbraw/zinc/01/91/60/212019160.db2.gz UFNMDUVZQXRXTR-OAHLLOKOSA-N 1 0 342.443 1.389 40 0 EDABRO Cc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019209303 212004556 /nfs/dbraw/zinc/00/45/56/212004556.db2.gz JINIBJGBOGWVJY-INIZCTEOSA-N 1 0 336.439 1.989 40 0 EDABRO Cc1cc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000012755997 211446681 /nfs/dbraw/zinc/44/66/81/211446681.db2.gz HMLQXPOFYBOJGR-MCPYQZEQSA-N 1 0 325.412 1.864 40 0 EDABRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000119397562 221311598 /nfs/dbraw/zinc/31/15/98/221311598.db2.gz IEKVXYKEEXAGEL-UHFFFAOYSA-N 1 0 347.278 1.963 40 0 EDABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000252513871 257660093 /nfs/dbraw/zinc/66/00/93/257660093.db2.gz AMPDDUOBEOSGMI-OAGGEKHMSA-N 1 0 336.844 1.936 40 0 EDABRO CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccco2)CC1 ZINC000306124898 257917832 /nfs/dbraw/zinc/91/78/32/257917832.db2.gz CBSKUOPGUTYRHN-UHFFFAOYSA-N 1 0 343.431 1.849 40 0 EDABRO CO[C@H]1CCN(c2ncc(F)cn2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096111079 274081411 /nfs/dbraw/zinc/08/14/11/274081411.db2.gz MJFBJVBAFBKINA-XHSDSOJGSA-N 1 0 332.379 1.934 40 0 EDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096201936 277159017 /nfs/dbraw/zinc/15/90/17/277159017.db2.gz FOGAWBOYBKHADO-HNNXBMFYSA-N 1 0 328.409 1.169 40 0 EDABRO C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1C(=O)C1CC=CC1 ZINC000096201242 278112822 /nfs/dbraw/zinc/11/28/22/278112822.db2.gz XGWGCKVNYDFZSG-OAHLLOKOSA-N 1 0 343.475 1.500 40 0 EDABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072360070 301365768 /nfs/dbraw/zinc/36/57/68/301365768.db2.gz ZJCUGIZUHGBLNV-CYBMUJFWSA-N 1 0 341.419 1.544 40 0 EDABRO CCC(=O)Nc1ccc(C(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000415632 440820376 /nfs/dbraw/zinc/82/03/76/440820376.db2.gz QEHUAFPOBDVXBA-UHFFFAOYSA-N 1 0 331.401 1.965 40 0 EDABRO Cc1nc(CCC(N)=O)cc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072367076 441230778 /nfs/dbraw/zinc/23/07/78/441230778.db2.gz PCEKRSRXEUWAAP-UHFFFAOYSA-N 1 0 339.443 1.978 40 0 EDABRO O=C(NCc1ccccn1)[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]2OCC[C@H]21 ZINC000096038905 441985085 /nfs/dbraw/zinc/98/50/85/441985085.db2.gz XBFSQUYDJQCCKQ-RCCFBDPRSA-N 1 0 341.411 1.828 40 0 EDABRO Cc1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)n1 ZINC000096038687 441985888 /nfs/dbraw/zinc/98/58/88/441985888.db2.gz UZHLDTRYGYGZJN-RHSMWYFYSA-N 1 0 335.473 1.959 40 0 EDABRO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCCCO1 ZINC000096057295 442005167 /nfs/dbraw/zinc/00/51/67/442005167.db2.gz NWVKSDACUBMLBI-NUJGCVRESA-N 1 0 345.443 1.720 40 0 EDABRO O=c1cc(C[NH+]2CCCC2)nc2n1CCCN(Cc1ccncc1)C2 ZINC000096059581 442007952 /nfs/dbraw/zinc/00/79/52/442007952.db2.gz YBEARDFXZARMRC-UHFFFAOYSA-N 1 0 339.443 1.640 40 0 EDABRO Cc1ccc(C(=O)N2CCn3c(CN4CC[NH+](C)CC4)cnc3C2)o1 ZINC000096061803 442009778 /nfs/dbraw/zinc/00/97/78/442009778.db2.gz RIZDOEKEPSQUME-UHFFFAOYSA-N 1 0 343.431 1.188 40 0 EDABRO Cn1ccnc1C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C2(C1)CCOCC2 ZINC000096063289 442010913 /nfs/dbraw/zinc/01/09/13/442010913.db2.gz CMMUZCQIGORHIR-HNNXBMFYSA-N 1 0 332.448 1.271 40 0 EDABRO C[C@@H]1CN(C(=O)c2ccccc2F)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096070286 442016862 /nfs/dbraw/zinc/01/68/62/442016862.db2.gz ZKZNNASWQIQNRR-AUUYWEPGSA-N 1 0 347.434 1.698 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 ZINC000096072556 442018396 /nfs/dbraw/zinc/01/83/96/442018396.db2.gz JIHQEUNGMZTORV-YOEHRIQHSA-N 1 0 330.388 1.894 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 ZINC000096074037 442020063 /nfs/dbraw/zinc/02/00/63/442020063.db2.gz WLGAASRNGJNHTN-GOSISDBHSA-N 1 0 325.416 1.834 40 0 EDABRO CC[N@@H+]1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC000096107967 442032624 /nfs/dbraw/zinc/03/26/24/442032624.db2.gz WWAAIJVINQWZGD-RBUKOAKNSA-N 1 0 328.456 1.971 40 0 EDABRO COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(C(=O)c1ccncn1)CC2 ZINC000096220101 442091289 /nfs/dbraw/zinc/09/12/89/442091289.db2.gz WZLLUJACTDSLCH-OAHLLOKOSA-N 1 0 348.447 1.066 40 0 EDABRO CN(C)C(=O)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCc1cccnc1 ZINC000096219898 442092089 /nfs/dbraw/zinc/09/20/89/442092089.db2.gz SPSZLBNVMWJRDZ-SJLPKXTDSA-N 1 0 332.448 1.534 40 0 EDABRO CC(C)NC(=O)N1CCC2(CCC(=O)N2CC[NH+]2CCCC2)CC1 ZINC000096228131 442096283 /nfs/dbraw/zinc/09/62/83/442096283.db2.gz FBWFBKUSIGOQBF-UHFFFAOYSA-N 1 0 336.480 1.657 40 0 EDABRO O=C1COC2(CC[NH+](Cc3ccco3)CC2)CN1c1cncnc1 ZINC000096159137 442049291 /nfs/dbraw/zinc/04/92/91/442049291.db2.gz ICTSICRROSBVLV-UHFFFAOYSA-N 1 0 328.372 1.468 40 0 EDABRO Cn1cc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096183529 442055579 /nfs/dbraw/zinc/05/55/79/442055579.db2.gz SCWOICNWBNIWND-FUHWJXTLSA-N 1 0 330.407 1.897 40 0 EDABRO O=C(C1CCOCC1)N1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096196901 442069947 /nfs/dbraw/zinc/06/99/47/442069947.db2.gz DASPHVFWPKNVOB-UHFFFAOYSA-N 1 0 346.475 1.680 40 0 EDABRO O=C(NCc1cnc2n1CC[N@@H+](Cc1ccoc1)CC2)C1CCC1 ZINC000096197059 442071020 /nfs/dbraw/zinc/07/10/20/442071020.db2.gz VUJHDLWCDVUMJW-UHFFFAOYSA-N 1 0 328.416 1.951 40 0 EDABRO CCOCC(=O)N1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202190 442077550 /nfs/dbraw/zinc/07/75/50/442077550.db2.gz RFFUXJDDOSLWJX-QGZVFWFLSA-N 1 0 338.473 1.836 40 0 EDABRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249619 442103224 /nfs/dbraw/zinc/10/32/24/442103224.db2.gz FYOWXGQEZIFUHS-RTBURBONSA-N 1 0 346.471 1.815 40 0 EDABRO O=C(CN1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1)N1CCCC1 ZINC000247759864 442867789 /nfs/dbraw/zinc/86/77/89/442867789.db2.gz GPOWLNQVNZLYEY-QGZVFWFLSA-N 1 0 331.464 1.348 40 0 EDABRO COCC(=O)NC[C@@H]1Cn2nccc2C[N@H+](CCc2ccccc2)C1 ZINC000247816755 442869538 /nfs/dbraw/zinc/86/95/38/442869538.db2.gz GIDNDUACLFVOMQ-KRWDZBQOSA-N 1 0 342.443 1.320 40 0 EDABRO Cn1cc(C(=O)N2CC3(C2)C[C@H](COCC2CC2)CC[N@@H+]3C)cn1 ZINC000248130509 442883383 /nfs/dbraw/zinc/88/33/83/442883383.db2.gz NAZFPXYZOJQOFP-OAHLLOKOSA-N 1 0 332.448 1.383 40 0 EDABRO CCCS(=O)(=O)N1CC[C@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257299341 443136723 /nfs/dbraw/zinc/13/67/23/443136723.db2.gz RPQLGOWSXOSHQN-INIZCTEOSA-N 1 0 344.452 1.434 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257303423 443138935 /nfs/dbraw/zinc/13/89/35/443138935.db2.gz SHFBAYLOFOJEJO-CYBMUJFWSA-N 1 0 341.419 1.278 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1 ZINC000257307288 443140798 /nfs/dbraw/zinc/14/07/98/443140798.db2.gz SYAQLGIFBOFFCX-GOSISDBHSA-N 1 0 346.406 1.118 40 0 EDABRO 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CC(C)C[NH+]1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604381816 449219667 /nfs/dbraw/zinc/21/96/67/449219667.db2.gz PTWFGEVIZBXGKE-GOSISDBHSA-N 1 0 343.471 1.554 40 0 biogenic,in-vitro EDABRO C[N@@H+]1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3c[nH]cn3)[C@@H]2C1 ZINC000257203293 536459577 /nfs/dbraw/zinc/45/95/77/536459577.db2.gz APKKIJGVTOKBOL-MANSERQUSA-N 1 0 326.444 1.690 40 0 EDABRO CCn1cc(C[NH+]2CCC3(CN(C(C)=O)[C@](C)(CO)C3)CC2)cn1 ZINC000257222145 536050265 /nfs/dbraw/zinc/05/02/65/536050265.db2.gz DSCVKTZGYCRVKK-KRWDZBQOSA-N 1 0 334.464 1.488 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)o1 ZINC000097953533 219064291 /nfs/dbraw/zinc/06/42/91/219064291.db2.gz PQXSSMUITKSZLU-BMFZPTHFSA-N 1 0 342.399 1.711 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NC3CCCC3)C2)cn1 ZINC000097953398 219064307 /nfs/dbraw/zinc/06/43/07/219064307.db2.gz RECMNCMSXACHOW-GVDBMIGSSA-N 1 0 332.448 1.316 40 0 EDABRO Cc1nc(CCC(=O)NC2CCOCC2)cc(C2CC[NH2+]CC2)n1 ZINC000072366871 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Cc1noc(C)c1C[N@@H+]1CC(C(=O)N2CCCCO2)CC2OCCC21 ZINC000096057673 279249015 /nfs/dbraw/zinc/24/90/15/279249015.db2.gz XZKLGASUZKMUNT-USXIJHARSA-N 1 0 349.431 1.825 40 0 EDABRO O=C1CCCN1CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013998946 441168729 /nfs/dbraw/zinc/16/87/29/441168729.db2.gz LWGCSTXTXFGJIW-UHFFFAOYSA-N 1 0 343.383 1.359 40 0 EDABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(CO)o3)C2)o1 ZINC000049170464 441348517 /nfs/dbraw/zinc/34/85/17/441348517.db2.gz VQRJVOCXKSJNJP-NSHDSACASA-N 1 0 329.360 1.545 40 0 biogenic,in-vitro EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O)Nc1ccccc1 ZINC000077265189 441744035 /nfs/dbraw/zinc/74/40/35/441744035.db2.gz YCKIIRYDZWCNHJ-OAGGEKHMSA-N 1 0 347.440 1.788 40 0 biogenic,in-vitro EDABRO Cn1cccc1C[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096038486 441983755 /nfs/dbraw/zinc/98/37/55/441983755.db2.gz YIRGTZBWBDKQTH-QGZVFWFLSA-N 1 0 329.444 1.652 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)cn1 ZINC000096038790 441985913 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CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](CC2CCCC2)C1 ZINC000247562558 442862384 /nfs/dbraw/zinc/86/23/84/442862384.db2.gz ZFBOKLMRMOHUGA-AWEZNQCLSA-N 1 0 326.466 1.054 40 0 EDABRO COC[C@@H]1CN(S(C)(=O)=O)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000247888444 442872566 /nfs/dbraw/zinc/87/25/66/442872566.db2.gz SHALTNIPENOQPO-HNNXBMFYSA-N 1 0 342.461 1.400 40 0 EDABRO CCCn1ccnc1CN1CC[NH2+]C[C@@H]1c1cccc(C(=O)NC)c1 ZINC000257286191 443131378 /nfs/dbraw/zinc/13/13/78/443131378.db2.gz PKRKPXYQDNCNAZ-QGZVFWFLSA-N 1 0 341.459 1.799 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cncnc3)CCO2)[nH+]1 ZINC000257324663 443148284 /nfs/dbraw/zinc/14/82/84/443148284.db2.gz WPQFQJHDELIQLR-INIZCTEOSA-N 1 0 327.388 1.460 40 0 EDABRO O=S(=O)(c1cn[nH]c1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCC[C@@H]21 ZINC000257304514 443139340 /nfs/dbraw/zinc/13/93/40/443139340.db2.gz SMAIIELVMXZPEH-ULQDDVLXSA-N 1 0 346.456 1.709 40 0 EDABRO COc1cc(CCC(=O)N2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)on1 ZINC000257305050 443139791 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O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000298699681 443842517 /nfs/dbraw/zinc/84/25/17/443842517.db2.gz HNCPFNHYASQUJW-HZPDHXFCSA-N 1 0 344.463 1.442 40 0 EDABRO COc1ccccc1CNc1cc(C2CC2)nc(NCC[NH+](C)C)n1 ZINC000329045056 444456344 /nfs/dbraw/zinc/45/63/44/444456344.db2.gz TURSAVAPFJYRFA-UHFFFAOYSA-N 1 0 341.459 1.792 40 0 EDABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102246 448686543 /nfs/dbraw/zinc/68/65/43/448686543.db2.gz VEDQAAREICTIJP-MRXNPFEDSA-N 1 0 336.461 1.742 40 0 EDABRO CC[C@H](C)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106069 448687470 /nfs/dbraw/zinc/68/74/70/448687470.db2.gz IXPURHDGDRMORQ-ARFHVFGLSA-N 1 0 343.475 1.540 40 0 EDABRO O=C(C1CC(O)C1)N1CC[N@@H+]2C[C@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107886 448688843 /nfs/dbraw/zinc/68/88/43/448688843.db2.gz AXPAEWNQPBUIPB-MNAZLIDISA-N 1 0 348.418 1.398 40 0 EDABRO Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)C[N@H+]3C)[nH]n1 ZINC000585094012 448677981 /nfs/dbraw/zinc/67/79/81/448677981.db2.gz ZMQJBVBUTRJZHI-KRWDZBQOSA-N 1 0 341.459 1.836 40 0 EDABRO COc1ccccc1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585295103 448737182 /nfs/dbraw/zinc/73/71/82/448737182.db2.gz LVALRAFZQRAIHK-KVPLUYHFSA-N 1 0 343.423 1.205 40 0 EDABRO [NH3+]CCS(=O)(=O)c1c(Br)cccc1Br ZINC000199552386 485811583 /nfs/dbraw/zinc/81/15/83/485811583.db2.gz LKNPZEGZGQCETA-UHFFFAOYSA-N 1 0 343.040 1.944 40 0 EDABRO CCc1nnsc1C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257236933 535869911 /nfs/dbraw/zinc/86/99/11/535869911.db2.gz HEJYFYUKKQFCFH-MGPQQGTHSA-N 1 0 338.477 1.598 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000096039520 282109237 /nfs/dbraw/zinc/10/92/37/282109237.db2.gz BIKOPFBPLLYMBT-RDJZCZTQSA-N 1 0 338.427 1.569 40 0 EDABRO C[NH2+]CC(=O)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000257247721 290638185 /nfs/dbraw/zinc/63/81/85/290638185.db2.gz JAEATIQKEFFKGH-CYBMUJFWSA-N 1 0 327.392 1.283 40 0 EDABRO Cn1c2nc3scc(C[NH+]4CCCCCC4)n3c2c(=O)[nH]c1=O ZINC000006668096 282609258 /nfs/dbraw/zinc/60/92/58/282609258.db2.gz AOCCKVHFKBILTE-UHFFFAOYSA-N 1 0 333.417 1.312 40 0 EDABRO CC(C)N1CCN(C(=O)c2cnc(C[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000072369347 216176432 /nfs/dbraw/zinc/17/64/32/216176432.db2.gz UFLCHOCDHLJJMP-MRXNPFEDSA-N 1 0 345.491 1.527 40 0 EDABRO Cc1cc(N2CCC[C@@](C)(c3n[nH]cc3C(=O)N(C)C)C2)nc(N)[nH+]1 ZINC000072388789 216189034 /nfs/dbraw/zinc/18/90/34/216189034.db2.gz QUTPDDOKDFRDDQ-QGZVFWFLSA-N 1 0 343.435 1.350 40 0 EDABRO CC(C)CC(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391625 216191009 /nfs/dbraw/zinc/19/10/09/216191009.db2.gz UBSYZGSHNZCFRG-ZDUSSCGKSA-N 1 0 330.436 1.408 40 0 EDABRO COc1cccc(C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000072390929 216191213 /nfs/dbraw/zinc/19/12/13/216191213.db2.gz VKBIKVGJQYMQOU-AWEZNQCLSA-N 1 0 338.411 1.761 40 0 EDABRO O=C(Cc1ccccn1)N1C[C@@H]([NH+]2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000097953439 283880624 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342.436 1.434 40 0 EDABRO O=C(CCn1ncc2ccccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257337551 244565842 /nfs/dbraw/zinc/56/58/42/244565842.db2.gz YTGMUHVQCNBKIP-IBGZPJMESA-N 1 0 342.443 1.486 40 0 EDABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 ZINC000019709349 212055223 /nfs/dbraw/zinc/05/52/23/212055223.db2.gz YYXMEHFKDKSREE-OAHLLOKOSA-N 1 0 331.464 1.662 40 0 EDABRO COc1cc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)nc(OC)n1 ZINC000019496545 212032821 /nfs/dbraw/zinc/03/28/21/212032821.db2.gz QZSUYBZWHUBGHZ-LBPRGKRZSA-N 1 0 336.436 1.734 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079428169 217223888 /nfs/dbraw/zinc/22/38/88/217223888.db2.gz CUCHXCUJNJXXAM-HOTGVXAUSA-N 1 0 333.432 1.887 40 0 EDABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)[C@H]3CCCO3)CC2)c1 ZINC000012291020 211333957 /nfs/dbraw/zinc/33/39/57/211333957.db2.gz LECZTXZEYLKUHU-QGZVFWFLSA-N 1 0 348.443 1.274 40 0 EDABRO Cc1cc2cc3c(cc2n2c(=O)n(CC[NH+]4CCCC4)nc12)OCO3 ZINC000012181991 211312676 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O=C(CCN1C(=O)CCCC1=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382575 440952702 /nfs/dbraw/zinc/95/27/02/440952702.db2.gz AUPZDFOUVOMPGK-GJZGRUSLSA-N 1 0 336.432 1.723 40 0 EDABRO C[NH+](C)CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000013670200 441163655 /nfs/dbraw/zinc/16/36/55/441163655.db2.gz KDMQWJLZWCQQCP-UHFFFAOYSA-N 1 0 345.440 1.050 40 0 EDABRO O=C(NC1CCCC1)[C@H]1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019747766 441260224 /nfs/dbraw/zinc/26/02/24/441260224.db2.gz GAPLGEIWAFQSEB-HNNXBMFYSA-N 1 0 343.475 1.958 40 0 EDABRO O=C([O-])[C@@]12C[N@H+](Cc3cccnc3)C[C@@H]1C[NH+]([C@H]1CCOC1)CCC2 ZINC000107201589 441403971 /nfs/dbraw/zinc/40/39/71/441403971.db2.gz TWSNTSOZDJTUQN-AOIWGVFYSA-N 1 0 345.443 1.469 40 0 EDABRO C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CCN(C(=O)NC3CC3)C[C@@H]21 ZINC000107202764 441404049 /nfs/dbraw/zinc/40/40/49/441404049.db2.gz PNXLWVCTSQUMLV-RRQGHBQHSA-N 1 0 333.432 1.920 40 0 EDABRO C[C@H]1CN(Cc2cccnc2)C[C@@]12COCC[N@H+](C[C@H]1CCOC1)C2 ZINC000107221034 441404684 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Cc1noc(C)c1C(=O)N1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000019747896 212061501 /nfs/dbraw/zinc/06/15/01/212061501.db2.gz AGWBOMVPIPHAIG-OAHLLOKOSA-N 1 0 348.447 1.356 40 0 EDABRO Cc1cc(C)n2nc(C(=O)NCC(C)(C)[NH+]3CCCCC3)nc2n1 ZINC000019656623 212053557 /nfs/dbraw/zinc/05/35/57/212053557.db2.gz WYQICYRCLHXUII-UHFFFAOYSA-N 1 0 330.436 1.735 40 0 EDABRO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)[nH]n1 ZINC000019451897 212028883 /nfs/dbraw/zinc/02/88/83/212028883.db2.gz XLWQDFFUVNSHGK-AWEZNQCLSA-N 1 0 340.431 1.946 40 0 EDABRO O=C1N[C@@]2(C[N@@H+](Cc3ccccn3)C[C@H]2CO)CCc2ccccc21 ZINC000019375516 212024547 /nfs/dbraw/zinc/02/45/47/212024547.db2.gz JLXJOLDPRKOPPY-OXJNMPFZSA-N 1 0 337.423 1.621 40 0 EDABRO Cc1cccnc1-n1cccc1CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@@H]1C ZINC000019237897 212008458 /nfs/dbraw/zinc/00/84/58/212008458.db2.gz QGEACUCABJCNCI-CGTJXYLNSA-N 1 0 326.444 1.820 40 0 EDABRO CC(C)(C)CC(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019082558 212000062 /nfs/dbraw/zinc/00/00/62/212000062.db2.gz HUTBXJFWJFUJDX-GFCCVEGCSA-N 1 0 330.436 1.537 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393200 217219537 /nfs/dbraw/zinc/21/95/37/217219537.db2.gz YIFNTHKOAWQHBC-HOCLYGCPSA-N 1 0 345.443 1.983 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393096 217218277 /nfs/dbraw/zinc/21/82/77/217218277.db2.gz KISYWTHTNKIPMG-AWEZNQCLSA-N 1 0 333.432 1.841 40 0 EDABRO CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393122 217218918 /nfs/dbraw/zinc/21/89/18/217218918.db2.gz QWPYQXKKZHBOJI-GOEBONIOSA-N 1 0 333.432 1.983 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079427479 217223663 /nfs/dbraw/zinc/22/36/63/217223663.db2.gz ZKEHJKUFKTYOLP-KGLIPLIRSA-N 1 0 325.453 1.970 40 0 EDABRO O=C(c1cscn1)N1CCOC2(CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000107193110 296298654 /nfs/dbraw/zinc/29/86/54/296298654.db2.gz UOIPRQQVXZXYBT-ZDUSSCGKSA-N 1 0 337.445 1.239 40 0 EDABRO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](CC2CC2)CC3)C1=O ZINC000096036512 218518138 /nfs/dbraw/zinc/51/81/38/218518138.db2.gz HWQGVAFPVWCZGL-IBGZPJMESA-N 1 0 333.476 1.579 40 0 EDABRO [NH3+]C1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)CC1 ZINC000096530677 218882196 /nfs/dbraw/zinc/88/21/96/218882196.db2.gz SESMRWNOUSBPCB-UHFFFAOYSA-N 1 0 342.378 1.006 40 0 EDABRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccn(C)n1 ZINC000330033487 292355124 /nfs/dbraw/zinc/35/51/24/292355124.db2.gz AHHJMPLTZCKJFK-HOCLYGCPSA-N 1 0 346.456 1.725 40 0 EDABRO CNc1cc(C)nc([C@@H]2COCCN2C(=O)C[N@H+](C)C2CCCC2)n1 ZINC000257258480 277043035 /nfs/dbraw/zinc/04/30/35/277043035.db2.gz KUESXVBAECYTMT-HNNXBMFYSA-N 1 0 347.463 1.601 40 0 EDABRO CNC(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000257273598 277261998 /nfs/dbraw/zinc/26/19/98/277261998.db2.gz NHIOLIMHELIRIT-GFCCVEGCSA-N 1 0 329.404 1.057 40 0 EDABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(C=O)CC2)CC1 ZINC000009062985 441102441 /nfs/dbraw/zinc/10/24/41/441102441.db2.gz AJNJKMUSOCEIRA-UHFFFAOYSA-N 1 0 329.444 1.508 40 0 EDABRO CC(C)c1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1 ZINC000013672677 441163661 /nfs/dbraw/zinc/16/36/61/441163661.db2.gz QHZQHSXSRCNQBO-UHFFFAOYSA-N 1 0 341.477 1.254 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)[C@@H]1CC=CCC1 ZINC000019404428 441257770 /nfs/dbraw/zinc/25/77/70/441257770.db2.gz POHXILHRTPYKRY-ZIAGYGMSSA-N 1 0 340.431 1.376 40 0 EDABRO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)c3cnn(C)c3)C2)C1 ZINC000108527615 441460259 /nfs/dbraw/zinc/46/02/59/441460259.db2.gz WYXHGDJEQTWLOP-UHFFFAOYSA-N 1 0 339.443 1.908 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000108532922 441462135 /nfs/dbraw/zinc/46/21/35/441462135.db2.gz CEQCDZXFRURICY-ZBFHGGJFSA-N 1 0 338.402 1.890 40 0 EDABRO CN1CC[NH+](CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 ZINC000030879047 441506557 /nfs/dbraw/zinc/50/65/57/441506557.db2.gz XOPUMZFLYPVYHA-BZSNNMDCSA-N 1 0 347.459 1.171 40 0 biogenic,in-vitro EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)Nc1ccccc1 ZINC000077265151 441744067 /nfs/dbraw/zinc/74/40/67/441744067.db2.gz LLOMGTSPXDDZDW-ZACQAIPSSA-N 1 0 342.399 1.121 40 0 biogenic,in-vitro EDABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000095533200 441951627 /nfs/dbraw/zinc/95/16/27/441951627.db2.gz SPYRNWLNZNVRQZ-DODZYUBVSA-N 1 0 340.508 1.189 40 0 EDABRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](CCOCc3ccccc3)C[C@H]21 ZINC000096043331 441992561 /nfs/dbraw/zinc/99/25/61/441992561.db2.gz OIRLOWMQWXTWGL-FGTMMUONSA-N 1 0 332.444 1.676 40 0 EDABRO Cn1nnc2c1[C@H](COCc1ccncc1)C[N@H+](C[C@@H]1CCOC1)C2 ZINC000096045493 441993854 /nfs/dbraw/zinc/99/38/54/441993854.db2.gz VZWVRSRBTLVYAF-HOTGVXAUSA-N 1 0 343.431 1.363 40 0 EDABRO O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096038792 441984976 /nfs/dbraw/zinc/98/49/76/441984976.db2.gz ITAUDTJVAZHBPK-IEBWSBKVSA-N 1 0 341.411 1.972 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccn2)C1 ZINC000096041293 441988122 /nfs/dbraw/zinc/98/81/22/441988122.db2.gz JOIQTBFUEFBEGW-NUEKZKHPSA-N 1 0 339.399 1.490 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC000096057167 442004184 /nfs/dbraw/zinc/00/41/84/442004184.db2.gz KFTRWEPSEKHNKG-NUJGCVRESA-N 1 0 347.459 1.902 40 0 EDABRO c1ccc(OCc2nnc3n2CC[N@@H+](Cc2ccncc2)CC3)nc1 ZINC000096058883 442006275 /nfs/dbraw/zinc/00/62/75/442006275.db2.gz UWEXEYCJCSWJOD-UHFFFAOYSA-N 1 0 336.399 1.705 40 0 EDABRO Cc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)nn1 ZINC000096072772 442018485 /nfs/dbraw/zinc/01/84/85/442018485.db2.gz LYEZDWOAYCKQQR-NVXWUHKLSA-N 1 0 328.420 1.364 40 0 EDABRO Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CCO[C@@H]3C2)no1 ZINC000096108113 442032751 /nfs/dbraw/zinc/03/27/51/442032751.db2.gz CYKUVSIHFCHRKQ-DOTOQJQBSA-N 1 0 331.420 1.049 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1F)CC[C@H]2OC ZINC000096108527 442033417 /nfs/dbraw/zinc/03/34/17/442033417.db2.gz LHCAHNPKCKGPLK-NWANDNLSSA-N 1 0 342.436 1.555 40 0 EDABRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cnn(C)c4)CC[N@@H+]3C2)n1 ZINC000096110695 442036078 /nfs/dbraw/zinc/03/60/78/442036078.db2.gz ZPBMFJWMBZOQNU-MOPGFXCFSA-N 1 0 341.459 1.599 40 0 EDABRO COc1ncccc1C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096161802 442050826 /nfs/dbraw/zinc/05/08/26/442050826.db2.gz GSKWPADAEILHLF-OKILXGFUSA-N 1 0 344.440 1.751 40 0 EDABRO Cc1ccc(CC(=O)N2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)cc1 ZINC000096160233 442050858 /nfs/dbraw/zinc/05/08/58/442050858.db2.gz HRCOIRBEOGWCBG-ICSRJNTNSA-N 1 0 346.471 1.876 40 0 EDABRO Cn1cccc1C(=O)N1CC[N@@H+]2C[C@H](Oc3cccnc3)C[C@H]2C1 ZINC000096183339 442056081 /nfs/dbraw/zinc/05/60/81/442056081.db2.gz AXIMHWBJSLVCOZ-GOEBONIOSA-N 1 0 326.400 1.398 40 0 EDABRO O=C(c1ccncc1F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096184466 442057380 /nfs/dbraw/zinc/05/73/80/442057380.db2.gz XHQDBYCYNCBCPY-SJORKVTESA-N 1 0 333.407 1.936 40 0 EDABRO C[NH+](C)C[C@@H]1OC[C@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]12 ZINC000096185249 442059505 /nfs/dbraw/zinc/05/95/05/442059505.db2.gz OEBDAHHDGDUSLF-UPJWGTAASA-N 1 0 330.475 1.335 40 0 EDABRO Cc1occc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCCC1 ZINC000096186297 442061946 /nfs/dbraw/zinc/06/19/46/442061946.db2.gz KTNDCKFBIONLRV-IRXDYDNUSA-N 1 0 345.443 1.889 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)N4CCOCC4)OC[C@H]3C2)o1 ZINC000096205933 442079646 /nfs/dbraw/zinc/07/96/46/442079646.db2.gz YCKGVGWGSWOTTI-KBAYOESNSA-N 1 0 348.443 1.674 40 0 EDABRO CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)O1 ZINC000096207663 442081167 /nfs/dbraw/zinc/08/11/67/442081167.db2.gz OEZCWSAIHWUIKL-UKRRQHHQSA-N 1 0 344.502 1.811 40 0 EDABRO O=S(=O)(C1CC1)N1CCO[C@@H]2CC[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096249482 442102546 /nfs/dbraw/zinc/10/25/46/442102546.db2.gz HHJDPSPTYHJBCN-JKSUJKDBSA-N 1 0 340.445 1.437 40 0 EDABRO O=C(Cc1ccccc1)N1CC2(C1)CC[C@H](C[NH+]1CCOCC1)CO2 ZINC000247857426 442870773 /nfs/dbraw/zinc/87/07/73/442870773.db2.gz LCXLHUVNHLGEMS-GOSISDBHSA-N 1 0 344.455 1.569 40 0 EDABRO CN(C)Cc1cn(-c2ccccc2C(=O)N[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257295325 443135975 /nfs/dbraw/zinc/13/59/75/443135975.db2.gz QXWPQWPKYSZVQL-OAHLLOKOSA-N 1 0 341.459 1.758 40 0 EDABRO Cn1c2ccc(C[NH+]3CCC4(CC3)OCCC[C@H]4O)cc2n(C)c1=O ZINC000257344350 443156706 /nfs/dbraw/zinc/15/67/06/443156706.db2.gz ZWVMEAHVZQERKB-QGZVFWFLSA-N 1 0 345.443 1.383 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(C)cc1 ZINC000242701718 443211884 /nfs/dbraw/zinc/21/18/84/443211884.db2.gz WLUYELGZVMMBFV-IIAWOOMASA-N 1 0 325.430 1.404 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306123754 444284518 /nfs/dbraw/zinc/28/45/18/444284518.db2.gz AVSCJEIGXWMWJL-LSDHHAIUSA-N 1 0 340.431 1.116 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306123751 444284538 /nfs/dbraw/zinc/28/45/38/444284538.db2.gz AVSCJEIGXWMWJL-CABCVRRESA-N 1 0 340.431 1.116 40 0 EDABRO CN1CCC[C@H]1c1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000306131419 444286004 /nfs/dbraw/zinc/28/60/04/444286004.db2.gz KDWOQIDFHNRTGG-HOCLYGCPSA-N 1 0 341.459 1.877 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccn3)C[C@@H]1C2 ZINC000306132113 444286293 /nfs/dbraw/zinc/28/62/93/444286293.db2.gz KYTAAROAQZKJSM-KBPBESRZSA-N 1 0 340.431 1.116 40 0 EDABRO C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(C(F)(F)F)n1 ZINC000329032204 444452318 /nfs/dbraw/zinc/45/23/18/444452318.db2.gz QMKWQYGQBJVWQJ-LLVKDONJSA-N 1 0 347.385 1.294 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccccc2)cc(-c2ccncc2)n1 ZINC000329066151 444463065 /nfs/dbraw/zinc/46/30/65/444463065.db2.gz XXQOXLIAUWYYHV-UHFFFAOYSA-N 1 0 348.454 1.968 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585276736 448723331 /nfs/dbraw/zinc/72/33/31/448723331.db2.gz HYVBDQMXDUOCOE-SFHVURJKSA-N 1 0 336.407 1.054 40 0 EDABRO CC(=O)N1CC[N@@H+](C2CCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282687 448731900 /nfs/dbraw/zinc/73/19/00/448731900.db2.gz MSZMKEFWNTZJSS-GOSISDBHSA-N 1 0 336.407 1.652 40 0 EDABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000585288987 448734259 /nfs/dbraw/zinc/73/42/59/448734259.db2.gz CMRRAUXCHCVNMV-RCCFBDPRSA-N 1 0 338.423 1.408 40 0 EDABRO C[N@H+](CC(=O)N1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1)C1CCCC1 ZINC000257287601 536167734 /nfs/dbraw/zinc/16/77/34/536167734.db2.gz PQQQAJXCHDZVNZ-CQSZACIVSA-N 1 0 348.447 1.074 40 0 EDABRO COc1ccc(OC)c(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)c1 ZINC000217559153 536823451 /nfs/dbraw/zinc/82/34/51/536823451.db2.gz LYDYNZBILLYOQF-LLVKDONJSA-N 1 0 325.372 1.885 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCCn2ccnc2)cc1 ZINC000257222414 536945007 /nfs/dbraw/zinc/94/50/07/536945007.db2.gz DTESNGIUSCMRAD-QGZVFWFLSA-N 1 0 328.416 1.845 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 ZINC000097953840 219065165 /nfs/dbraw/zinc/06/51/65/219065165.db2.gz RSVGCRCRZQLNHO-SOUVJXGZSA-N 1 0 335.473 1.911 40 0 EDABRO CC(=O)N1CCC([NH2+]C2(Cc3cc(C(C)(C)C)on3)COC2)CC1 ZINC000067897821 215244899 /nfs/dbraw/zinc/24/48/99/215244899.db2.gz XVLPWUHTOKQKCJ-UHFFFAOYSA-N 1 0 335.448 1.884 40 0 biogenic,in-vitro EDABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)[nH+]1 ZINC000072367547 216174988 /nfs/dbraw/zinc/17/49/88/216174988.db2.gz WWXHOORKZXONPF-HNNXBMFYSA-N 1 0 335.433 1.705 40 0 EDABRO C[NH2+]CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 ZINC000072383026 216184541 /nfs/dbraw/zinc/18/45/41/216184541.db2.gz SSIVPYAVSRQDJP-CYBMUJFWSA-N 1 0 326.404 1.459 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)C[NH3+])cc1 ZINC000218628054 241335677 /nfs/dbraw/zinc/33/56/77/241335677.db2.gz AXBGAARAMWESOR-ULQDDVLXSA-N 1 0 334.416 1.730 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@@](CCCc2ccncc2)(C(=O)N(C)C)C1 ZINC000257227492 244203500 /nfs/dbraw/zinc/20/35/00/244203500.db2.gz FPOFLSGOYRLEPN-LJQANCHMSA-N 1 0 346.475 1.321 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[N@@H+](C3CCOCC3)CCN2C(C)=O)c1 ZINC000257257271 244283605 /nfs/dbraw/zinc/28/36/05/244283605.db2.gz KOVHFIVIIDCCNI-SFHVURJKSA-N 1 0 345.443 1.430 40 0 EDABRO CNC(=O)[C@H]1CN(Cc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000257257339 244283676 /nfs/dbraw/zinc/28/36/76/244283676.db2.gz KPCZPTWENZGBRN-CYBMUJFWSA-N 1 0 340.265 1.559 40 0 EDABRO CCOc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257274380 244388624 /nfs/dbraw/zinc/38/86/24/244388624.db2.gz NKUXEIULJKISKC-BZUAXINKSA-N 1 0 333.432 1.540 40 0 EDABRO Cc1nccc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257294270 244441599 /nfs/dbraw/zinc/44/15/99/244441599.db2.gz QTIIMVPWOJVWPC-AWEZNQCLSA-N 1 0 327.388 1.236 40 0 EDABRO CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)C2([NH3+])CCCC2)n1 ZINC000257330924 244549791 /nfs/dbraw/zinc/54/97/91/244549791.db2.gz XQPOGJFPYVZHBW-HNNXBMFYSA-N 1 0 331.420 1.048 40 0 EDABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)c2ccccn2)C3)CC1 ZINC000019588341 212048355 /nfs/dbraw/zinc/04/83/55/212048355.db2.gz PSFNXNKHQROKDB-UHFFFAOYSA-N 1 0 337.427 1.879 40 0 EDABRO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccccn1)CC2 ZINC000019401886 212025116 /nfs/dbraw/zinc/02/51/16/212025116.db2.gz ZKMPFNYMFIMWCP-UHFFFAOYSA-N 1 0 333.395 1.828 40 0 EDABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079412939 217222326 /nfs/dbraw/zinc/22/23/26/217222326.db2.gz YGIOWVCQSYASDA-GOEBONIOSA-N 1 0 333.432 1.982 40 0 EDABRO Fc1cnc(N2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)nc1 ZINC000096049010 218539141 /nfs/dbraw/zinc/53/91/41/218539141.db2.gz PFTGWGWGGMICMJ-UHFFFAOYSA-N 1 0 343.406 1.882 40 0 EDABRO CCN1CC[C@@H]([NH2+]CC2CC2)[C@@]2(CC(C(=O)NCC3CC3)=NO2)C1 ZINC000306132893 257921099 /nfs/dbraw/zinc/92/10/99/257921099.db2.gz LVJIJMMMLVLWAP-SJLPKXTDSA-N 1 0 334.464 1.122 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218514482 285955453 /nfs/dbraw/zinc/95/54/53/285955453.db2.gz SIPVHLNMZGRCOT-KCQAQPDRSA-N 1 0 345.848 1.749 40 0 EDABRO O=C(c1cncnc1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257203869 275015467 /nfs/dbraw/zinc/01/54/67/275015467.db2.gz ARZMZZAVXAOFTF-IBGZPJMESA-N 1 0 338.411 1.112 40 0 EDABRO C[NH+](C)[C@H]1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)C1 ZINC000096264697 276796087 /nfs/dbraw/zinc/79/60/87/276796087.db2.gz KOVKTZSODOPFPS-LBPRGKRZSA-N 1 0 348.472 1.608 40 0 EDABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCCN2CCOCC2)CC1 ZINC000089212613 278381750 /nfs/dbraw/zinc/38/17/50/278381750.db2.gz KLRXZADQZYDWEZ-UHFFFAOYSA-N 1 0 341.496 1.945 40 0 EDABRO Cc1cccc(CN2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)n1 ZINC000096188972 281217977 /nfs/dbraw/zinc/21/79/77/281217977.db2.gz GRYTXTMKFQYFOI-QGZVFWFLSA-N 1 0 343.475 1.797 40 0 EDABRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000044528846 440853445 /nfs/dbraw/zinc/85/34/45/440853445.db2.gz ZWTYDRNGFGXMEL-QMMMGPOBSA-N 1 0 339.280 1.870 40 0 EDABRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(Br)c(C)nn1C ZINC000002781028 440877417 /nfs/dbraw/zinc/87/74/17/440877417.db2.gz DTXYNHVJXWPMJN-VIFPVBQESA-N 1 0 331.258 1.951 40 0 EDABRO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000012739557 441140239 /nfs/dbraw/zinc/14/02/39/441140239.db2.gz FZHKONYHLVEDDV-HLLBOEOZSA-N 1 0 339.457 1.218 40 0 EDABRO CNC(=O)[C@H]1C[N@H+](Cc2cccc3ncccc23)Cc2cn(C)nc21 ZINC000019701222 441258338 /nfs/dbraw/zinc/25/83/38/441258338.db2.gz RUZSOGRSLTXZSU-INIZCTEOSA-N 1 0 335.411 1.814 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)Nc1ccccc1 ZINC000077265479 441744978 /nfs/dbraw/zinc/74/49/78/441744978.db2.gz SEELGWZNYHCZKQ-ZACQAIPSSA-N 1 0 342.399 1.121 40 0 biogenic,in-vitro EDABRO O=C([C@@H]1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@H]2O1)N1CCOCC1 ZINC000096042940 441991847 /nfs/dbraw/zinc/99/18/47/441991847.db2.gz BPJPDJWTMLBFOA-GBESFXJTSA-N 1 0 344.455 1.567 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21)N1CCCCO1 ZINC000096040786 441987260 /nfs/dbraw/zinc/98/72/60/441987260.db2.gz YGDBDBAUFDAUJF-ZACQAIPSSA-N 1 0 331.416 1.330 40 0 EDABRO Fc1cnc(N2C[C@H](OCC[NH+]3CCCC3)[C@H]3OCCC[C@H]32)nc1 ZINC000096040934 441987870 /nfs/dbraw/zinc/98/78/70/441987870.db2.gz IMPDTYACBJYZHP-PMPSAXMXSA-N 1 0 336.411 1.464 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[N@H+](Cc2ccco2)C[C@H]2OCC[C@H]21 ZINC000096041172 441988673 /nfs/dbraw/zinc/98/86/73/441988673.db2.gz VDZTZZSQWZCHDC-OKZBNKHCSA-N 1 0 341.411 1.828 40 0 EDABRO O=C(N1CCCC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC000096055061 442002647 /nfs/dbraw/zinc/00/26/47/442002647.db2.gz CQNHOIKUOVSLAZ-IRXDYDNUSA-N 1 0 330.432 1.573 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cc1 ZINC000096064497 442012256 /nfs/dbraw/zinc/01/22/56/442012256.db2.gz CINVPWGGARQOIZ-KBAYOESNSA-N 1 0 346.427 1.554 40 0 EDABRO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000096070301 442018642 /nfs/dbraw/zinc/01/86/42/442018642.db2.gz YIYUKWGJRNNMNB-DYVFJYSZSA-N 1 0 335.473 1.507 40 0 EDABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081000 442023435 /nfs/dbraw/zinc/02/34/35/442023435.db2.gz UOAQMJWQXJKMET-KDURUIRLSA-N 1 0 336.439 2.000 40 0 EDABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096090643 442025748 /nfs/dbraw/zinc/02/57/48/442025748.db2.gz XETPJFNCRYBGDU-CALCHBBNSA-N 1 0 343.452 1.834 40 0 EDABRO Cc1cc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)no1 ZINC000096108129 442031307 /nfs/dbraw/zinc/03/13/07/442031307.db2.gz NIJBPPRGVNFQNT-FUHWJXTLSA-N 1 0 328.416 1.711 40 0 EDABRO CCCS(=O)(=O)N1CC[C@]2(C[C@H](OCC[NH+]3CCCC3)CO2)C1 ZINC000096110864 442036200 /nfs/dbraw/zinc/03/62/00/442036200.db2.gz NVDCJMGJLQZKCI-HOTGVXAUSA-N 1 0 346.493 1.072 40 0 EDABRO O=C(NCc1cccnc1)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2CC2CCOCC2)O1 ZINC000096186585 442062252 /nfs/dbraw/zinc/06/22/52/442062252.db2.gz REXHGQZNGWWYIL-BZSNNMDCSA-N 1 0 345.443 1.356 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](N4CCN(C)CC4)[C@@H]3C2)cc1 ZINC000096186828 442062746 /nfs/dbraw/zinc/06/27/46/442062746.db2.gz SXFVPSZSJNNESO-MISYRCLQSA-N 1 0 345.487 1.389 40 0 EDABRO Cn1nc(C(=O)N2CCC[C@@]3(C2)COCC[N@H+](C)C3)c2ccccc21 ZINC000096228719 442096329 /nfs/dbraw/zinc/09/63/29/442096329.db2.gz RFWVTSGCPIJNGN-LJQANCHMSA-N 1 0 342.443 1.758 40 0 EDABRO O=C(N1CCCC1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096197573 442072162 /nfs/dbraw/zinc/07/21/62/442072162.db2.gz LRQYSYYWIDKYBH-UHFFFAOYSA-N 1 0 345.447 1.261 40 0 EDABRO Cn1cc(N2CC3(CC[NH+](Cc4ccoc4)CC3)OCC2=O)cn1 ZINC000096201447 442076411 /nfs/dbraw/zinc/07/64/11/442076411.db2.gz YIPPQARKBRIKPA-UHFFFAOYSA-N 1 0 330.388 1.411 40 0 EDABRO Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000096206046 442079261 /nfs/dbraw/zinc/07/92/61/442079261.db2.gz OCUBSJIJNIPBIP-CZUORRHYSA-N 1 0 338.477 1.846 40 0 EDABRO COC[C@@H]1CC2(C[N@@H+]1C)CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000096206108 442079514 /nfs/dbraw/zinc/07/95/14/442079514.db2.gz OXUMZVMHVIZVNV-HNNXBMFYSA-N 1 0 346.427 1.988 40 0 EDABRO COCCNC(=O)C[C@H]1OC[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000096206446 442080588 /nfs/dbraw/zinc/08/05/88/442080588.db2.gz POOFOKQMRKNMLD-GUDVDZBRSA-N 1 0 346.471 1.719 40 0 EDABRO COCC[N@@H+]1CC2(C[C@H]1COC)CCN(C(=O)C1CC=CC1)CC2 ZINC000096207624 442082076 /nfs/dbraw/zinc/08/20/76/442082076.db2.gz BDAVBGYCKFBDFT-KRWDZBQOSA-N 1 0 336.476 1.929 40 0 EDABRO C[N@@H+]1[C@@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096208667 442082973 /nfs/dbraw/zinc/08/29/73/442082973.db2.gz JYPBYLSGIRMASO-OAHLLOKOSA-N 1 0 342.505 1.834 40 0 EDABRO CS(=O)(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccco1)CC2 ZINC000096215212 442086001 /nfs/dbraw/zinc/08/60/01/442086001.db2.gz DNPFXSIYLONCIW-CQSZACIVSA-N 1 0 328.434 1.200 40 0 EDABRO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](Cc3cccnc3)C1)COC2 ZINC000096243986 442100950 /nfs/dbraw/zinc/10/09/50/442100950.db2.gz BXNWXUQAPKCJLB-GOSISDBHSA-N 1 0 325.416 1.612 40 0 EDABRO COC(=O)CCC(=O)N1C[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096245460 442102255 /nfs/dbraw/zinc/10/22/55/442102255.db2.gz RABHZDVKGUUOHM-HUUCEWRRSA-N 1 0 334.391 1.669 40 0 EDABRO O=C(N1CCCC1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096249694 442103598 /nfs/dbraw/zinc/10/35/98/442103598.db2.gz ZDMWFOQQTPQJKS-QZTJIDSGSA-N 1 0 344.459 1.820 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C4COC4)CCN3C(C)(C)C2)cc1 ZINC000253404005 443057186 /nfs/dbraw/zinc/05/71/86/443057186.db2.gz QUAODGATUACCGM-QGZVFWFLSA-N 1 0 345.487 1.674 40 0 biogenic,in-vitro EDABRO CC(=O)NCc1nccnc1C1CC[NH+](Cc2cncn2C)CC1 ZINC000257324951 443147820 /nfs/dbraw/zinc/14/78/20/443147820.db2.gz WQWTWKMPOGKNPU-UHFFFAOYSA-N 1 0 328.420 1.226 40 0 EDABRO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1F ZINC000257333103 443151007 /nfs/dbraw/zinc/15/10/07/443151007.db2.gz YADWMCMFSVSIJF-BFYDXBDKSA-N 1 0 336.407 1.942 40 0 EDABRO Cc1cnn(CC(=O)NCc2cnc(C)nc2[C@H]2CCC[N@H+]2C)c1 ZINC000257332079 443151024 /nfs/dbraw/zinc/15/10/24/443151024.db2.gz XVQXVFVILANIMZ-OAHLLOKOSA-N 1 0 328.420 1.373 40 0 EDABRO Cc1cnc(C(=O)N2Cc3cncn3[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000306126563 444285008 /nfs/dbraw/zinc/28/50/08/444285008.db2.gz DYZAUXZRHVCVIP-MRXNPFEDSA-N 1 0 340.431 1.665 40 0 EDABRO CCOC[C@H]1CC[N@H+](CC2CC2)C2(CN(C(=O)c3cnccn3)C2)C1 ZINC000306127035 444285366 /nfs/dbraw/zinc/28/53/66/444285366.db2.gz FMCVDVJWRZOHSI-INIZCTEOSA-N 1 0 344.459 1.830 40 0 EDABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 ZINC000306135183 444286667 /nfs/dbraw/zinc/28/66/67/444286667.db2.gz OKHYOGIAVDUJEQ-WMLDXEAASA-N 1 0 330.428 1.559 40 0 EDABRO CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108169 448689011 /nfs/dbraw/zinc/68/90/11/448689011.db2.gz JZCIGRWIWLVFGD-CJNGLKHVSA-N 1 0 326.412 1.612 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585269498 448718176 /nfs/dbraw/zinc/71/81/76/448718176.db2.gz XCCAAWAOYCUGCI-LJQANCHMSA-N 1 0 332.444 1.822 40 0 EDABRO CS(=O)(=O)NCC[C@H]1Cn2cccc2C[N@@H+](C2CCOCC2)C1 ZINC000585095103 448677661 /nfs/dbraw/zinc/67/76/61/448677661.db2.gz FSRHOJFLCUIWKZ-AWEZNQCLSA-N 1 0 341.477 1.038 40 0 EDABRO Cn1cncc1C[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099325 448683597 /nfs/dbraw/zinc/68/35/97/448683597.db2.gz FBUUVMMFQBCKBT-INIZCTEOSA-N 1 0 331.445 1.501 40 0 EDABRO CO[C@@H]1CC[N@H+](Cc2cccc(C)n2)C[C@H]1CC(=O)N1CCOCC1 ZINC000585278639 448726395 /nfs/dbraw/zinc/72/63/95/448726395.db2.gz UVWPDPGETUGESB-SJLPKXTDSA-N 1 0 347.459 1.476 40 0 EDABRO CC(C)c1nnc(CCC(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000257324789 534952351 /nfs/dbraw/zinc/95/23/51/534952351.db2.gz WQEPQSUXENJDSJ-KRWDZBQOSA-N 1 0 336.436 1.185 40 0 EDABRO COC[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193578 536680082 /nfs/dbraw/zinc/68/00/82/536680082.db2.gz KDGARTSPQVYESW-FRRDWIJNSA-N 1 0 348.262 1.551 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000072360918 216166830 /nfs/dbraw/zinc/16/68/30/216166830.db2.gz QYAACCMBILSHHZ-AWEZNQCLSA-N 1 0 326.404 1.807 40 0 EDABRO CNC(=O)[C@@]1(CCCc2cnccn2)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072367231 216173256 /nfs/dbraw/zinc/17/32/56/216173256.db2.gz AZMAVODXOCVWKO-SFHVURJKSA-N 1 0 342.447 1.551 40 0 EDABRO Cn1ccnc1C[N@@H+]1CCC[C@](CCCc2ccncc2)(C(N)=O)C1 ZINC000072367260 216173460 /nfs/dbraw/zinc/17/34/60/216173460.db2.gz HYUCMIGKGUQRCD-IBGZPJMESA-N 1 0 341.459 1.906 40 0 EDABRO CCS(=O)(=O)NCC[C@H]1Cn2nccc2C[N@@H+](C2CCC2)C1 ZINC000253488603 244002744 /nfs/dbraw/zinc/00/27/44/244002744.db2.gz BFDGYIWCIAROIP-CYBMUJFWSA-N 1 0 326.466 1.197 40 0 EDABRO C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1ccccc1 ZINC000257245397 244255739 /nfs/dbraw/zinc/25/57/39/244255739.db2.gz IPHNJBDMYXJNGN-BDXSIMOUSA-N 1 0 341.411 1.322 40 0 EDABRO CCc1noc(CCC(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)n1 ZINC000257238147 244234968 /nfs/dbraw/zinc/23/49/68/244234968.db2.gz HJUOGURKVZXQFH-HNNXBMFYSA-N 1 0 344.415 1.746 40 0 EDABRO Cn1cccc1C(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257241689 244245731 /nfs/dbraw/zinc/24/57/31/244245731.db2.gz HZDQWWBSKDUJCH-IAGOWNOFSA-N 1 0 331.391 1.482 40 0 EDABRO C[NH2+]CCOc1cccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c1 ZINC000257269545 244372326 /nfs/dbraw/zinc/37/23/26/244372326.db2.gz MQKXICXESARFCW-HKUYNNGSSA-N 1 0 348.443 1.695 40 0 EDABRO O=C(Cc1cccc(O)c1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257262750 244352962 /nfs/dbraw/zinc/35/29/62/244352962.db2.gz LMROTAFDMQTIPH-LJQANCHMSA-N 1 0 332.444 1.774 40 0 EDABRO C[NH2+]CCOc1ccc(C(=O)N2C[C@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257328004 244541035 /nfs/dbraw/zinc/54/10/35/244541035.db2.gz XDTDSXVZUGAVIS-WMZOPIPTSA-N 1 0 334.416 1.305 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393190 217219339 /nfs/dbraw/zinc/21/93/39/217219339.db2.gz QIUUAXIZZLEWAW-BBRMVZONSA-N 1 0 331.416 1.736 40 0 EDABRO O=C(c1ccco1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC000096059583 218551553 /nfs/dbraw/zinc/55/15/53/218551553.db2.gz FAZBXTHYCMZVLM-UHFFFAOYSA-N 1 0 342.399 1.478 40 0 EDABRO Cn1cc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139060 257924198 /nfs/dbraw/zinc/92/41/98/257924198.db2.gz SOHKUPKMVOUKHZ-GOEBONIOSA-N 1 0 334.427 1.983 40 0 EDABRO CNc1nccnc1[C@@H]1CN(C(=O)C[N@H+](C)C2CCCC2)CCO1 ZINC000257248644 277305973 /nfs/dbraw/zinc/30/59/73/277305973.db2.gz JEPJXALHCUIFSC-AWEZNQCLSA-N 1 0 333.436 1.293 40 0 EDABRO COC[C@H]1CC2(C[N@@H+]1CC1CC1)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096220375 293189928 /nfs/dbraw/zinc/18/99/28/293189928.db2.gz XMTVAUQLWRGGSU-OAHLLOKOSA-N 1 0 345.509 1.006 40 0 EDABRO CCn1ncc(Br)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002764303 440875615 /nfs/dbraw/zinc/87/56/15/440875615.db2.gz YBCLOCJZXRXDQD-SNVBAGLBSA-N 1 0 327.226 1.586 40 0 EDABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCC(N)=O ZINC000008326278 441089654 /nfs/dbraw/zinc/08/96/54/441089654.db2.gz LOGHKQAEVCAMSY-NSHDSACASA-N 1 0 330.812 1.463 40 0 EDABRO C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000014252166 441180915 /nfs/dbraw/zinc/18/09/15/441180915.db2.gz XIBVAWGPYWOSHA-UHFFFAOYSA-N 1 0 333.251 1.822 40 0 EDABRO C[C@@H]1CN(c2nccc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)C[C@@H](C)O1 ZINC000019497715 441257721 /nfs/dbraw/zinc/25/77/21/441257721.db2.gz VXDSJMYLSONGSN-BFYDXBDKSA-N 1 0 331.464 1.370 40 0 EDABRO COC(C)(C)C(=O)N1CCN(c2cc(C)nc([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019697979 441258859 /nfs/dbraw/zinc/25/88/59/441258859.db2.gz NUIZTPUZXIGOGY-MRXNPFEDSA-N 1 0 346.475 1.888 40 0 EDABRO Cc1cc(OCC(=O)NCCCN2CC[NH+](C)CC2)ccc1Cl ZINC000061523948 441275630 /nfs/dbraw/zinc/27/56/30/441275630.db2.gz MXXDMRMHOQWUSL-UHFFFAOYSA-N 1 0 339.867 1.781 40 0 EDABRO Cc1cccnc1C[N@@H+]1C[C@H](C(=O)N2CCCCO2)[C@H]2OCC[C@H]21 ZINC000108536101 441461857 /nfs/dbraw/zinc/46/18/57/441461857.db2.gz HKRIEUZEQLKKCW-USXIJHARSA-N 1 0 331.416 1.533 40 0 EDABRO CN1CC[NH+]([C@H]2COC3(C2)CCN(C(=O)c2ccco2)CC3)CC1 ZINC000096048852 441996966 /nfs/dbraw/zinc/99/69/66/441996966.db2.gz PRGSDSZIFWUIRC-OAHLLOKOSA-N 1 0 333.432 1.291 40 0 EDABRO CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(C)o3)CC2)O1 ZINC000096036743 441983358 /nfs/dbraw/zinc/98/33/58/441983358.db2.gz GTWYCSDEUSYZFT-OAHLLOKOSA-N 1 0 344.415 1.421 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000096040454 441986343 /nfs/dbraw/zinc/98/63/43/441986343.db2.gz YAJHLQMHOGHZPV-QAPCUYQASA-N 1 0 333.432 1.420 40 0 EDABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)O1)N1CCOCC1 ZINC000096057498 442005405 /nfs/dbraw/zinc/00/54/05/442005405.db2.gz IHAVITGYKITAIQ-BRWVUGGUSA-N 1 0 331.416 1.062 40 0 EDABRO Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](Cc2ccncc2)CC3)cn1 ZINC000096061531 442009401 /nfs/dbraw/zinc/00/94/01/442009401.db2.gz WBKDRCTZHJZROU-QGZVFWFLSA-N 1 0 339.443 1.796 40 0 EDABRO COCCNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C[C@H]2O1 ZINC000096058183 442007240 /nfs/dbraw/zinc/00/72/40/442007240.db2.gz QZXVFVJKYBAOFR-NUEKZKHPSA-N 1 0 338.473 1.799 40 0 EDABRO Cc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)o1 ZINC000096061013 442007878 /nfs/dbraw/zinc/00/78/78/442007878.db2.gz CYCSETNZKRODQN-AWEZNQCLSA-N 1 0 328.376 1.269 40 0 EDABRO COCCNC(=O)[C@H]1CO[C@H]2CC[N@H+](Cc3cccs3)C[C@H]2C1 ZINC000096066001 442013578 /nfs/dbraw/zinc/01/35/78/442013578.db2.gz YFXJNYQABPABMF-FMKPAKJESA-N 1 0 338.473 1.738 40 0 EDABRO C[NH+](C)CCN1CCOCC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096074656 442019709 /nfs/dbraw/zinc/01/97/09/442019709.db2.gz WXJIQQLMURZWBT-UHFFFAOYSA-N 1 0 349.450 1.694 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2)c1ccno1 ZINC000096108472 442033428 /nfs/dbraw/zinc/03/34/28/442033428.db2.gz GFSUKNXADXHGFU-CJNGLKHVSA-N 1 0 333.413 1.615 40 0 EDABRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc4c(c2)OCO4)C3)n1 ZINC000096110036 442034642 /nfs/dbraw/zinc/03/46/42/442034642.db2.gz YDRBSLBLGRWOCG-CXAGYDPISA-N 1 0 329.356 1.507 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)cn1 ZINC000096219425 442090456 /nfs/dbraw/zinc/09/04/56/442090456.db2.gz FVLAHMBLTYWAMX-INIZCTEOSA-N 1 0 332.448 1.317 40 0 EDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096220291 442092099 /nfs/dbraw/zinc/09/20/99/442092099.db2.gz JNEPLFABZDTVNL-DOTOQJQBSA-N 1 0 338.473 1.584 40 0 EDABRO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2[N@@H+]1C(C)C ZINC000096182692 442056210 /nfs/dbraw/zinc/05/62/10/442056210.db2.gz ITAIEXRIWLHXFT-KFWWJZLASA-N 1 0 335.473 1.346 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)cn1 ZINC000096184623 442057350 /nfs/dbraw/zinc/05/73/50/442057350.db2.gz TZZZFCWGMPAKRE-JKSUJKDBSA-N 1 0 330.457 1.900 40 0 EDABRO Cn1cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)cn1 ZINC000096199458 442072889 /nfs/dbraw/zinc/07/28/89/442072889.db2.gz FQNCNBHQYOKHFM-INIZCTEOSA-N 1 0 325.416 1.453 40 0 EDABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1ccccc1)C2 ZINC000096201998 442077712 /nfs/dbraw/zinc/07/77/12/442077712.db2.gz VCHGHNRUGASXKE-IBGZPJMESA-N 1 0 332.444 1.426 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2)c1cscn1 ZINC000096206839 442080395 /nfs/dbraw/zinc/08/03/95/442080395.db2.gz IDZHFUYELVSSPG-WBMJQRKESA-N 1 0 333.413 1.615 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cnn(C)c4)CCO[C@@H]3C2)o1 ZINC000096208584 442083158 /nfs/dbraw/zinc/08/31/58/442083158.db2.gz FLFPOMJGPMKTAT-NVXWUHKLSA-N 1 0 344.415 1.295 40 0 EDABRO CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096215357 442085536 /nfs/dbraw/zinc/08/55/36/442085536.db2.gz GLBQQOWTZGASPF-MRXNPFEDSA-N 1 0 334.464 1.563 40 0 EDABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)C3CC3)CCN21 ZINC000253400884 443056256 /nfs/dbraw/zinc/05/62/56/443056256.db2.gz MCEOBIGQRBUFSH-QUCCMNQESA-N 1 0 343.471 1.176 40 0 biogenic,in-vitro EDABRO CCc1cc(C(=O)N2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)no1 ZINC000257286711 443131264 /nfs/dbraw/zinc/13/12/64/443131264.db2.gz PMSBINOARIOJCW-HNNXBMFYSA-N 1 0 343.374 1.545 40 0 EDABRO NC(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257289260 443132116 /nfs/dbraw/zinc/13/21/16/443132116.db2.gz PXUUHUOVLKQVMX-ZDUSSCGKSA-N 1 0 336.399 1.603 40 0 EDABRO Cc1ncoc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257291691 443133730 /nfs/dbraw/zinc/13/37/30/443133730.db2.gz QIEVQPAYHPTOQL-HNNXBMFYSA-N 1 0 330.388 1.966 40 0 EDABRO Cc1cc(=O)[nH]c([C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)n1 ZINC000257297033 443135828 /nfs/dbraw/zinc/13/58/28/443135828.db2.gz RFLYQGSOBUUJBD-CQSZACIVSA-N 1 0 334.420 1.265 40 0 EDABRO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)[nH+]1 ZINC000257297528 443136303 /nfs/dbraw/zinc/13/63/03/443136303.db2.gz RHQXPIJDTCEXHP-QGZVFWFLSA-N 1 0 341.415 1.768 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257303424 443138478 /nfs/dbraw/zinc/13/84/78/443138478.db2.gz SHFBAYLOFOJEJO-ZDUSSCGKSA-N 1 0 341.419 1.278 40 0 EDABRO O=S(=O)(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccc(F)cc1 ZINC000257303975 443139275 /nfs/dbraw/zinc/13/92/75/443139275.db2.gz SJOKHJYVVWVFIF-BZUAXINKSA-N 1 0 342.436 1.482 40 0 EDABRO CO[C@H]1CN(C(=O)c2cccc(OCCC[NH3+])c2)CC[C@@]12CCCO2 ZINC000257305208 443139609 /nfs/dbraw/zinc/13/96/09/443139609.db2.gz SOXCXAJJEQRMIX-HKUYNNGSSA-N 1 0 348.443 1.824 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)c2cc(C3CCCCC3)no2)CC[N@H+](C)C1 ZINC000257314852 443143338 /nfs/dbraw/zinc/14/33/38/443143338.db2.gz UYUCOZIEPIPVCY-CQSZACIVSA-N 1 0 348.447 1.472 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306125620 444285319 /nfs/dbraw/zinc/28/53/19/444285319.db2.gz CVZXZEPLYIHNFI-STQMWFEESA-N 1 0 327.388 1.068 40 0 EDABRO Cc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NCCO)[nH+]1 ZINC000328987672 444435353 /nfs/dbraw/zinc/43/53/53/444435353.db2.gz IDPMYICVYNJOGP-LBPRGKRZSA-N 1 0 328.416 1.805 40 0 EDABRO C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(C2CC2)[nH+]1 ZINC000329003373 444441695 /nfs/dbraw/zinc/44/16/95/444441695.db2.gz KLZBXGPOYFBLCX-UHFFFAOYSA-N 1 0 326.448 1.569 40 0 EDABRO COCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 ZINC000585100814 448685422 /nfs/dbraw/zinc/68/54/22/448685422.db2.gz XRRSGYMAURZVES-GOSISDBHSA-N 1 0 337.464 1.102 40 0 EDABRO Cc1cccc(OC[C@@]2(O)COCCN(C3CC[NH+](C)CC3)C2)c1 ZINC000585276101 448721209 /nfs/dbraw/zinc/72/12/09/448721209.db2.gz LWEKDGYGJMRJAC-IBGZPJMESA-N 1 0 334.460 1.531 40 0 EDABRO Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCCC2)n1 ZINC000585097282 448681064 /nfs/dbraw/zinc/68/10/64/448681064.db2.gz JOOUMRJFXKCVCR-CQSZACIVSA-N 1 0 344.419 1.014 40 0 EDABRO CC[NH+](CC)C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O ZINC000585285869 448732506 /nfs/dbraw/zinc/73/25/06/448732506.db2.gz NJINWPXTJCBHME-WBVHZDCISA-N 1 0 340.851 1.620 40 0 EDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CCCCC2)C1 ZINC000585292223 448736025 /nfs/dbraw/zinc/73/60/25/448736025.db2.gz YKYXPQNJVXSVGR-QUCCMNQESA-N 1 0 346.471 1.476 40 0 EDABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]C3CCCC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382218 449219868 /nfs/dbraw/zinc/21/98/68/449219868.db2.gz LFWCXGDPUPCWGF-BRSBDYLESA-N 1 0 349.475 1.098 40 0 biogenic,in-vitro EDABRO CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3s2)CC[N@H+](C)C1 ZINC000257266854 536399002 /nfs/dbraw/zinc/39/90/02/536399002.db2.gz MEVZGJAFVYSICE-ZDUSSCGKSA-N 1 0 331.441 1.651 40 0 EDABRO C[NH2+]CC(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000257247722 290637982 /nfs/dbraw/zinc/63/79/82/290637982.db2.gz JAEATIQKEFFKGH-ZDUSSCGKSA-N 1 0 327.392 1.283 40 0 EDABRO C[NH+](C)CCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000004575537 210225330 /nfs/dbraw/zinc/22/53/30/210225330.db2.gz ZIULEJDBCUVBHS-GHRIWEEISA-N 1 0 338.411 1.530 40 0 EDABRO Cc1nc(CCC(=O)NCc2nccn2C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366881 216173423 /nfs/dbraw/zinc/17/34/23/216173423.db2.gz YOUQIMGXYSYHDI-CQSZACIVSA-N 1 0 342.447 1.235 40 0 EDABRO CN(C)c1cc(C[C@H]2CN(C(=O)C3CCC3)CC[N@H+](C)C2)ncn1 ZINC000072378183 216179289 /nfs/dbraw/zinc/17/92/89/216179289.db2.gz ULLQEKBDANJLNC-CQSZACIVSA-N 1 0 331.464 1.275 40 0 EDABRO CNC(=O)c1c[nH]nc1[C@]1(C)CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000072388787 216189703 /nfs/dbraw/zinc/18/97/03/216189703.db2.gz FCVXTZRMONIRNP-MRXNPFEDSA-N 1 0 329.408 1.008 40 0 EDABRO COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C[NH3+])cc1 ZINC000218096128 241297632 /nfs/dbraw/zinc/29/76/32/241297632.db2.gz ZOWPSFGVHIFVRO-IXDOHACOSA-N 1 0 332.425 1.291 40 0 EDABRO Cc1c(C[N@@H+]2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cnn1C ZINC000257209988 244146658 /nfs/dbraw/zinc/14/66/58/244146658.db2.gz BSRDCGFEMSOURR-HYVNUMGLSA-N 1 0 326.448 1.865 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCC[C@]1(CCCc1cccnc1)C(=O)N(C)C ZINC000257214345 244158928 /nfs/dbraw/zinc/15/89/28/244158928.db2.gz CLQQKDDNJAZREO-LJQANCHMSA-N 1 0 346.475 1.415 40 0 EDABRO CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257227438 244205011 /nfs/dbraw/zinc/20/50/11/244205011.db2.gz FPHJZNWNWWSCKS-SLFFLAALSA-N 1 0 346.471 1.696 40 0 EDABRO C[NH+]1CCC(Cc2cnc(CNC(=O)C3CCOCC3)cn2)CC1 ZINC000257247242 244260732 /nfs/dbraw/zinc/26/07/32/244260732.db2.gz IYCSIRLJTBXTAW-UHFFFAOYSA-N 1 0 332.448 1.404 40 0 EDABRO CNc1nccnc1[C@H]1CN(C(=O)C[N@H+](C)C2CCCC2)CCO1 ZINC000257248645 244264213 /nfs/dbraw/zinc/26/42/13/244264213.db2.gz JEPJXALHCUIFSC-CQSZACIVSA-N 1 0 333.436 1.293 40 0 EDABRO CN(C)C(=O)[C@@]1(CCCc2ccccn2)CCC[N@H+](CC(N)=O)C1 ZINC000257251123 244267587 /nfs/dbraw/zinc/26/75/87/244267587.db2.gz JPMAATBOSDPZRH-SFHVURJKSA-N 1 0 332.448 1.060 40 0 EDABRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H](C(=O)N(C)C)C2)cc1 ZINC000257268690 244371141 /nfs/dbraw/zinc/37/11/41/244371141.db2.gz MMTUGOZDCDAGSC-MRXNPFEDSA-N 1 0 333.432 1.064 40 0 EDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2CC2(O)CCOCC2)n1 ZINC000257260527 244347539 /nfs/dbraw/zinc/34/75/39/244347539.db2.gz LDGNKIYPWZDHFM-INIZCTEOSA-N 1 0 343.431 1.854 40 0 EDABRO Cc1nn(C)cc1S(=O)(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257341998 244574483 /nfs/dbraw/zinc/57/44/83/244574483.db2.gz ZMRAAWXVVOETQE-GJZGRUSLSA-N 1 0 326.466 1.414 40 0 EDABRO O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257343911 244580594 /nfs/dbraw/zinc/58/05/94/244580594.db2.gz ZUXCFXNGAMZOPL-JTNHKYCSSA-N 1 0 346.353 1.006 40 0 EDABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019593569 212050359 /nfs/dbraw/zinc/05/03/59/212050359.db2.gz CDNSWPXNSCXWSO-OAHLLOKOSA-N 1 0 344.415 1.825 40 0 EDABRO CCCCn1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)n1 ZINC000019502444 212035295 /nfs/dbraw/zinc/03/52/95/212035295.db2.gz MBEMUPCWQRHXRL-CYBMUJFWSA-N 1 0 328.482 1.754 40 0 EDABRO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000019286368 212010664 /nfs/dbraw/zinc/01/06/64/212010664.db2.gz XOZKNKSRFKQQPL-KGLIPLIRSA-N 1 0 339.395 1.939 40 0 EDABRO Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)n1 ZINC000012366187 211357367 /nfs/dbraw/zinc/35/73/67/211357367.db2.gz VEFQAJLWMGOIEV-INIZCTEOSA-N 1 0 343.431 1.246 40 0 EDABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1O ZINC000514288345 257846370 /nfs/dbraw/zinc/84/63/70/257846370.db2.gz AFJUQIPHKAORCU-YESZJQIVSA-N 1 0 336.432 1.285 40 0 biogenic,in-vitro EDABRO O=C(c1ccccn1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCCC3)O2)C1 ZINC000096063373 280214591 /nfs/dbraw/zinc/21/45/91/280214591.db2.gz TZPHTPMSNRLDIS-VQIMIIECSA-N 1 0 345.443 1.568 40 0 EDABRO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000002809434 440879284 /nfs/dbraw/zinc/87/92/84/440879284.db2.gz YUYGJOKJXMKLEQ-HNNXBMFYSA-N 1 0 336.457 1.465 40 0 EDABRO CCCCOCCOCC[NH+](CCO)CCOCCOCCCC ZINC000005420225 440953684 /nfs/dbraw/zinc/95/36/84/440953684.db2.gz IVFPFYXSAOVNHG-UHFFFAOYSA-N 1 0 349.512 1.947 40 0 EDABRO CC(C)N1C[C@]2(CO[C@H](C(=O)NCC[NH+](C)C)C2)c2ccccc21 ZINC000107275433 441406381 /nfs/dbraw/zinc/40/63/81/441406381.db2.gz WMXIOYAYYSNURR-PKOBYXMFSA-N 1 0 331.460 1.620 40 0 EDABRO O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000107191514 441402570 /nfs/dbraw/zinc/40/25/70/441402570.db2.gz UIVVIMRXKUMEGD-LPHOPBHVSA-N 1 0 329.444 1.933 40 0 EDABRO Cn1cc(C[N@@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)cn1 ZINC000108524442 441459763 /nfs/dbraw/zinc/45/97/63/441459763.db2.gz HUUAEHLBJVUFJV-UHFFFAOYSA-N 1 0 325.416 1.600 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O)c1ccccc1 ZINC000077264317 441743980 /nfs/dbraw/zinc/74/39/80/441743980.db2.gz UFONYQKJEXAJPW-KURKYZTESA-N 1 0 326.396 1.335 40 0 biogenic,in-vitro EDABRO O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O1 ZINC000096042871 441991804 /nfs/dbraw/zinc/99/18/04/441991804.db2.gz PZQOYWWVXXBUFP-RCCFBDPRSA-N 1 0 329.444 1.630 40 0 EDABRO CCS(=O)(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000096048035 441996056 /nfs/dbraw/zinc/99/60/56/441996056.db2.gz XGFDWPKUGYMDLO-CQSZACIVSA-N 1 0 342.461 1.685 40 0 EDABRO Cc1nc(C[N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cs1 ZINC000096050524 442000208 /nfs/dbraw/zinc/00/02/08/442000208.db2.gz YTHQIWGAROCYKS-MRXNPFEDSA-N 1 0 331.445 1.814 40 0 EDABRO Cc1ccc(C[N@H+]2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)o1 ZINC000096036055 441984031 /nfs/dbraw/zinc/98/40/31/441984031.db2.gz KXWQLTLROXXKHE-LJQANCHMSA-N 1 0 347.459 1.737 40 0 EDABRO O=S1(=O)NCC2(CC[NH+](CC3CC3)CC2)COc2ccccc21 ZINC000096037121 441984281 /nfs/dbraw/zinc/98/42/81/441984281.db2.gz GMNLZTCJQMYEPX-UHFFFAOYSA-N 1 0 336.457 1.850 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCC[NH+](C)C)C1 ZINC000096039543 441985392 /nfs/dbraw/zinc/98/53/92/441985392.db2.gz PPYXZJWCFPOWDQ-HKUYNNGSSA-N 1 0 349.475 1.615 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccnc2)C1 ZINC000096041294 441987907 /nfs/dbraw/zinc/98/79/07/441987907.db2.gz IBYRFHCDXAVDRP-ARFHVFGLSA-N 1 0 339.399 1.490 40 0 EDABRO O=C([C@@H]1CO[C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2C1)N1CCCO1 ZINC000096058173 442006315 /nfs/dbraw/zinc/00/63/15/442006315.db2.gz FJRSRZIYHNTEBK-YESZJQIVSA-N 1 0 331.416 1.473 40 0 EDABRO C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1nccs1 ZINC000096062010 442010015 /nfs/dbraw/zinc/01/00/15/442010015.db2.gz VPFAIGPPTBHOGK-CQSZACIVSA-N 1 0 346.504 1.664 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cn1 ZINC000096108866 442033350 /nfs/dbraw/zinc/03/33/50/442033350.db2.gz ASSGWMKXUOVJCO-QZTJIDSGSA-N 1 0 328.416 1.480 40 0 EDABRO C[NH+](C)CCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2 ZINC000096228045 442096246 /nfs/dbraw/zinc/09/62/46/442096246.db2.gz LMXLSIHHNJIVLP-UHFFFAOYSA-N 1 0 330.432 1.240 40 0 EDABRO O=C(NCC[NH+]1CCCC1)C1=NO[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096225571 442094069 /nfs/dbraw/zinc/09/40/69/442094069.db2.gz FIUHZTOPLARMTB-GOSISDBHSA-N 1 0 346.431 1.212 40 0 EDABRO Cc1ccccc1C(=O)N1C[C@H](OCC[NH+](C)C)[C@H]2OCCC[C@H]21 ZINC000096187027 442064570 /nfs/dbraw/zinc/06/45/70/442064570.db2.gz WBYOJAMDAKWPHV-SQNIBIBYSA-N 1 0 332.444 1.945 40 0 EDABRO COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)O1 ZINC000096187240 442064688 /nfs/dbraw/zinc/06/46/88/442064688.db2.gz PQTXEEAOZZRNTI-BRWVUGGUSA-N 1 0 336.407 1.710 40 0 EDABRO CC[NH+](CC)Cc1cnc2n1CCN(C(=O)c1cc(C)on1)CC2 ZINC000096196831 442069361 /nfs/dbraw/zinc/06/93/61/442069361.db2.gz KIFHYHGTMFYJGS-UHFFFAOYSA-N 1 0 331.420 1.720 40 0 EDABRO O=C([C@@H]1CCCO1)N1CCOC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096202111 442077680 /nfs/dbraw/zinc/07/76/80/442077680.db2.gz PSNZATOQYRJKKT-PKOBYXMFSA-N 1 0 345.443 1.312 40 0 EDABRO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1cccc(F)c1)C2)N1CCOCC1 ZINC000096205967 442079591 /nfs/dbraw/zinc/07/95/91/442079591.db2.gz ZDGKRVPFDKVINU-APWZRJJASA-N 1 0 348.418 1.523 40 0 EDABRO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096207461 442081803 /nfs/dbraw/zinc/08/18/03/442081803.db2.gz AUOPSLWWKHKSKL-CQSZACIVSA-N 1 0 332.400 1.390 40 0 EDABRO COCCN1CC2(CC[NH+](Cc3ccccn3)CC2)[C@H](COC)C1=O ZINC000096209155 442085041 /nfs/dbraw/zinc/08/50/41/442085041.db2.gz UBJIXGHXEKLORV-QGZVFWFLSA-N 1 0 347.459 1.415 40 0 EDABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12)NC1CC1 ZINC000096215933 442086687 /nfs/dbraw/zinc/08/66/87/442086687.db2.gz GUSHJQAJAIYBFH-DDUZABMNSA-N 1 0 344.411 1.531 40 0 EDABRO COCCN(C)C(=O)c1ccc2nnc([C@@H]3CC[N@@H+](C(C)C)C3)n2c1 ZINC000096267459 442109084 /nfs/dbraw/zinc/10/90/84/442109084.db2.gz SBHTZFOTNCEJGG-CQSZACIVSA-N 1 0 345.447 1.645 40 0 EDABRO CC(C)CN1c2ccccc2[C@@]2(C[C@@H]2C(=O)NCC[NH+](C)C)C1=O ZINC000096243463 442099989 /nfs/dbraw/zinc/09/99/89/442099989.db2.gz GBNBIGZWGQKBBX-DNVCBOLYSA-N 1 0 329.444 1.625 40 0 EDABRO CS(=O)(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096241250 442100404 /nfs/dbraw/zinc/10/04/04/442100404.db2.gz BAVQRHNBYMQSQU-CABCVRRESA-N 1 0 327.425 1.277 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000248039734 442878281 /nfs/dbraw/zinc/87/82/81/442878281.db2.gz NUFJAVPSRDKKEY-WMZOPIPTSA-N 1 0 332.448 1.271 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccccc4)[C@H]3C2)cn1 ZINC000248166163 442885212 /nfs/dbraw/zinc/88/52/12/442885212.db2.gz ZVTDLKGYCSLKHZ-KZNAEPCWSA-N 1 0 340.427 1.297 40 0 EDABRO CC(=O)N1CC2(CC[NH+](Cc3ccnn3C)CC2)C[C@H](O)C1(C)C ZINC000257287483 443132133 /nfs/dbraw/zinc/13/21/33/443132133.db2.gz PQEPIWYYTGQVTQ-INIZCTEOSA-N 1 0 334.464 1.394 40 0 EDABRO Fc1cnc(N2CCOCC2)nc1CC1CC2(C1)C[NH2+]CCOC2 ZINC000257315116 443143504 /nfs/dbraw/zinc/14/35/04/443143504.db2.gz UZYWXLPXVJZGRL-UHFFFAOYSA-N 1 0 336.411 1.011 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000257241922 443125305 /nfs/dbraw/zinc/12/53/05/443125305.db2.gz IAFZJQOPZUYITJ-LJQANCHMSA-N 1 0 329.444 1.903 40 0 EDABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)CC1 ZINC000306124915 444285340 /nfs/dbraw/zinc/28/53/40/444285340.db2.gz CCAZXZBTUBLAKL-INIZCTEOSA-N 1 0 327.472 1.959 40 0 EDABRO c1c(NCCN2CCOCC2)nc(NC2CCCC2)[nH+]c1C1CC1 ZINC000328955903 444421686 /nfs/dbraw/zinc/42/16/86/444421686.db2.gz ADPBUPKCVFZQCV-UHFFFAOYSA-N 1 0 331.464 1.296 40 0 EDABRO C[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)n1 ZINC000329068695 444464033 /nfs/dbraw/zinc/46/40/33/444464033.db2.gz YSBSUNHUZLQDPL-ZDUSSCGKSA-N 1 0 336.399 1.182 40 0 EDABRO c1ncn(-c2ccc(N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nn2)n1 ZINC000409429255 447684603 /nfs/dbraw/zinc/68/46/03/447684603.db2.gz QIYDADDVAUUIBF-IRXDYDNUSA-N 1 0 347.426 1.626 40 0 EDABRO Cc1ccc(NC(=S)NCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420848 447857687 /nfs/dbraw/zinc/85/76/87/447857687.db2.gz KOPVXQYFRMXUOA-HNNXBMFYSA-N 1 0 341.502 1.448 40 0 EDABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1cccn1C)CC2 ZINC000585104332 448687055 /nfs/dbraw/zinc/68/70/55/448687055.db2.gz ZEXDWMGVBOGUNA-INIZCTEOSA-N 1 0 349.475 1.472 40 0 EDABRO Cc1ccnc(C(=O)N2Cc3ncn(C)c3C[C@@H]2C[NH+]2CCCC2)c1 ZINC000585094622 448677807 /nfs/dbraw/zinc/67/78/07/448677807.db2.gz FTJRWRIAJQWBGD-OAHLLOKOSA-N 1 0 339.443 1.786 40 0 EDABRO Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCCC1 ZINC000585097512 448682916 /nfs/dbraw/zinc/68/29/16/448682916.db2.gz MNUHZKJQRHEJJU-CQSZACIVSA-N 1 0 329.404 1.690 40 0 EDABRO CCOc1ccc(C[N@@H+]2C[C@@H](CC(=O)NC)[C@@H](OC)C2)cc1CO ZINC000585279211 448727932 /nfs/dbraw/zinc/72/79/32/448727932.db2.gz VGKAIORUUDRWTJ-PBHICJAKSA-N 1 0 336.432 1.161 40 0 EDABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCN3CCOCC3)[C@H]2O)c1 ZINC000585288888 448734689 /nfs/dbraw/zinc/73/46/89/448734689.db2.gz KXOGQJPWBMFXJP-IPMKNSEASA-N 1 0 334.460 1.578 40 0 EDABRO CN(C)c1cccc([C@H]2CN(C(=O)C[NH+]3CCCCC3)CCO2)n1 ZINC000257253803 536151647 /nfs/dbraw/zinc/15/16/47/536151647.db2.gz KAIYYPJZFSXNGJ-MRXNPFEDSA-N 1 0 332.448 1.533 40 0 EDABRO O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]21 ZINC000097953872 219064794 /nfs/dbraw/zinc/06/47/94/219064794.db2.gz URPOFAOORUQQCR-BZUAXINKSA-N 1 0 342.399 1.935 40 0 EDABRO Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)C[NH3+])C3)n2)n1 ZINC000072360875 216166798 /nfs/dbraw/zinc/16/67/98/216166798.db2.gz QFJNXGPUYPCMSC-ZDUSSCGKSA-N 1 0 326.404 1.588 40 0 EDABRO C[NH2+]CC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360901 216167792 /nfs/dbraw/zinc/16/77/92/216167792.db2.gz CIOBILFLYBKSTK-ZDUSSCGKSA-N 1 0 326.404 1.541 40 0 EDABRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC000107746747 219805301 /nfs/dbraw/zinc/80/53/01/219805301.db2.gz ARRYSNRQDNUHPZ-AEFFLSMTSA-N 1 0 340.427 1.823 40 0 EDABRO Cc1nc(CCC(N)=O)cc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072367073 216173625 /nfs/dbraw/zinc/17/36/25/216173625.db2.gz YFOQTSOCUKYASO-UHFFFAOYSA-N 1 0 339.443 1.978 40 0 EDABRO Cc1cc(N2CCC[C@](C)(c3n[nH]cc3C(=O)N(C)C)C2)nc(N)[nH+]1 ZINC000072388790 216189079 /nfs/dbraw/zinc/18/90/79/216189079.db2.gz QUTPDDOKDFRDDQ-KRWDZBQOSA-N 1 0 343.435 1.350 40 0 EDABRO CC(C)CC(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391624 216191202 /nfs/dbraw/zinc/19/12/02/216191202.db2.gz UBSYZGSHNZCFRG-CYBMUJFWSA-N 1 0 330.436 1.408 40 0 EDABRO [NH3+]C[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218504653 241327742 /nfs/dbraw/zinc/32/77/42/241327742.db2.gz DSLGTRKEFZYQDB-YESZJQIVSA-N 1 0 335.400 1.703 40 0 EDABRO Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257204210 244126840 /nfs/dbraw/zinc/12/68/40/244126840.db2.gz ATNMXHGRPIJLPQ-LJQANCHMSA-N 1 0 342.443 1.244 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccnc(C)n2)c1 ZINC000257209668 244146137 /nfs/dbraw/zinc/14/61/37/244146137.db2.gz BRJYKYBATQWVHA-KRWDZBQOSA-N 1 0 325.416 1.291 40 0 EDABRO Cc1noc(C)c1-c1cc(C2CCN(C(=O)C[NH3+])CC2)nc(C)n1 ZINC000257240777 244242683 /nfs/dbraw/zinc/24/26/83/244242683.db2.gz HVEDNSFZYWIXNM-UHFFFAOYSA-N 1 0 329.404 1.722 40 0 EDABRO O=C(Cc1cccs1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257248618 244263475 /nfs/dbraw/zinc/26/34/75/244263475.db2.gz JEMAGBRZFNUXLV-HNNXBMFYSA-N 1 0 344.427 1.985 40 0 EDABRO O=C(Cc1ccc(O)cc1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257271903 244381296 /nfs/dbraw/zinc/38/12/96/244381296.db2.gz NAGLHTNMQROZFG-LJQANCHMSA-N 1 0 348.443 1.011 40 0 EDABRO O=C(c1sc2ncccc2c1[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000257276831 244393593 /nfs/dbraw/zinc/39/35/93/244393593.db2.gz NVILQZDWONKRDW-GFCCVEGCSA-N 1 0 333.413 1.430 40 0 EDABRO COc1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cn1 ZINC000019572082 212043795 /nfs/dbraw/zinc/04/37/95/212043795.db2.gz JBQSDPIYBPGMJM-JJTKIYQPSA-N 1 0 340.427 2.000 40 0 EDABRO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C ZINC000019575206 212046173 /nfs/dbraw/zinc/04/61/73/212046173.db2.gz BEERMGACMMQTOF-HDEZJCGLSA-N 1 0 332.444 1.733 40 0 EDABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)[C@H]1CC=CCC1 ZINC000019346724 212019323 /nfs/dbraw/zinc/01/93/23/212019323.db2.gz RABADMAGKBJXIN-LSDHHAIUSA-N 1 0 339.443 1.981 40 0 EDABRO O=C(C1CC1)N1CCC(c2nc([C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)CC1 ZINC000019291967 212012124 /nfs/dbraw/zinc/01/21/24/212012124.db2.gz QWJUGBLBBRCXLO-CQSZACIVSA-N 1 0 330.432 1.353 40 0 EDABRO O=C(c1ccoc1)N1CC[C@@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1 ZINC000096249370 296276363 /nfs/dbraw/zinc/27/63/63/296276363.db2.gz NARFXCAGVUEGMS-ROUUACIJSA-N 1 0 347.459 1.681 40 0 EDABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1 ZINC000019590461 277189043 /nfs/dbraw/zinc/18/90/43/277189043.db2.gz UFMLVQPODXAZTN-AWEZNQCLSA-N 1 0 337.427 1.879 40 0 EDABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2C(=O)Cc2ccccn2)n1 ZINC000019760378 441260066 /nfs/dbraw/zinc/26/00/66/441260066.db2.gz DKSUFDFTWKGGPW-OAHLLOKOSA-N 1 0 340.431 1.539 40 0 EDABRO O=C(Nc1cccnc1)C1=NO[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000107232077 441404722 /nfs/dbraw/zinc/40/47/22/441404722.db2.gz ZGWPTGIBBKPYNH-CXAGYDPISA-N 1 0 330.388 1.277 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC(NC(=O)c4ccnnc4)C3)CC2)cn1 ZINC000108532385 441460893 /nfs/dbraw/zinc/46/08/93/441460893.db2.gz YXYKHOAEUCBGQE-UHFFFAOYSA-N 1 0 340.431 1.385 40 0 EDABRO CC(=O)N1CCC([N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)CC1 ZINC000067897070 441694095 /nfs/dbraw/zinc/69/40/95/441694095.db2.gz LUEFDERFXSOCNN-MSOLQXFVSA-N 1 0 343.427 1.114 40 0 biogenic,in-vitro EDABRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000042646390 441762735 /nfs/dbraw/zinc/76/27/35/441762735.db2.gz RKPFDDTXCMUYBH-UHFFFAOYSA-N 1 0 342.237 1.764 40 0 EDABRO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096047080 441995093 /nfs/dbraw/zinc/99/50/93/441995093.db2.gz AEHRIOUSUINCHO-IBGZPJMESA-N 1 0 337.427 2.000 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)cn1 ZINC000096048698 441996988 /nfs/dbraw/zinc/99/69/88/441996988.db2.gz VLYMXBCAYPVIPG-KRWDZBQOSA-N 1 0 326.404 1.229 40 0 EDABRO c1coc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)c1 ZINC000096049494 441997730 /nfs/dbraw/zinc/99/77/30/441997730.db2.gz OQHBSEDUPYUPQC-KRWDZBQOSA-N 1 0 331.420 1.512 40 0 EDABRO c1csc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052016 441999179 /nfs/dbraw/zinc/99/91/79/441999179.db2.gz FXBZZXVUKMYBTK-NVXWUHKLSA-N 1 0 337.489 1.846 40 0 EDABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2OCC[C@H]21 ZINC000096038846 441985902 /nfs/dbraw/zinc/98/59/02/441985902.db2.gz GDLCKJORPAHYKA-HDMKZQKVSA-N 1 0 346.427 1.777 40 0 EDABRO Cc1cccc(C(=O)N2CCO[C@H]3[C@H](OCC[NH+](C)C)CC[C@@H]32)n1 ZINC000096041491 441987801 /nfs/dbraw/zinc/98/78/01/441987801.db2.gz BOBBTJDPJHAHTI-GVDBMIGSSA-N 1 0 333.432 1.340 40 0 EDABRO O=C(NCc1ccco1)[C@H]1C[N@H+](Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC000096041180 441988044 /nfs/dbraw/zinc/98/80/44/441988044.db2.gz BXWANFGXODONEN-OKZBNKHCSA-N 1 0 341.411 1.828 40 0 EDABRO O=C1CCCN1Cc1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096058966 442006812 /nfs/dbraw/zinc/00/68/12/442006812.db2.gz PBUDBTJFELFIGT-UHFFFAOYSA-N 1 0 331.445 1.520 40 0 EDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cn(C)c3ccccc13)C2 ZINC000096064850 442012124 /nfs/dbraw/zinc/01/21/24/442012124.db2.gz LJWGCAYPRSBTCB-IEBWSBKVSA-N 1 0 327.428 1.905 40 0 EDABRO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@H+]([C@@H]1CCOC1)C2 ZINC000096067301 442015486 /nfs/dbraw/zinc/01/54/86/442015486.db2.gz CPGHBHZXYMCMML-SJLPKXTDSA-N 1 0 328.416 1.716 40 0 EDABRO CCOCC(=O)N1Cc2nccn2C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067130 442016625 /nfs/dbraw/zinc/01/66/25/442016625.db2.gz BZMZIEBHLREHST-HNNXBMFYSA-N 1 0 346.431 1.603 40 0 EDABRO c1csc(C[NH2+]C[C@H]2Cn3nnc(-c4ccncc4)c3CO2)n1 ZINC000096087217 442024702 /nfs/dbraw/zinc/02/47/02/442024702.db2.gz MDEYWWBPKVHXKL-LBPRGKRZSA-N 1 0 328.401 1.485 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108114 442031926 /nfs/dbraw/zinc/03/19/26/442031926.db2.gz MNLLFLKLCCHIKG-JKSUJKDBSA-N 1 0 347.488 1.518 40 0 EDABRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cccnc4)C3)C2=O)cn1 ZINC000096224631 442092411 /nfs/dbraw/zinc/09/24/11/442092411.db2.gz ULGWZYRDBJIIEE-GOSISDBHSA-N 1 0 325.416 1.834 40 0 EDABRO O=C(c1cccnc1)N1CCOC2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096158962 442049222 /nfs/dbraw/zinc/04/92/22/442049222.db2.gz CWNSOOCZDHYQLT-UHFFFAOYSA-N 1 0 345.443 1.568 40 0 EDABRO COc1ncccc1C[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096161754 442051160 /nfs/dbraw/zinc/05/11/60/442051160.db2.gz MYYWKJALRUNLGY-GASCZTMLSA-N 1 0 327.384 1.887 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]21)c1ccno1 ZINC000096185489 442059902 /nfs/dbraw/zinc/05/99/02/442059902.db2.gz IKLJIUKZGYIPQK-DUVNUKRYSA-N 1 0 331.372 1.535 40 0 EDABRO C[NH+](C)CCOCc1cncc2c1CCN(C(=O)[C@H]1CCCO1)C2 ZINC000096189353 442067097 /nfs/dbraw/zinc/06/70/97/442067097.db2.gz XOMTZYAQMRUFME-QGZVFWFLSA-N 1 0 333.432 1.224 40 0 EDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@@H]([NH2+][C@H]2CCOC2)C3)n1 ZINC000096196623 442069011 /nfs/dbraw/zinc/06/90/11/442069011.db2.gz RFOROBVGOFLRRO-AEFFLSMTSA-N 1 0 339.439 1.836 40 0 EDABRO Cc1ccc(C[N@H+]2CCc3ncc(Cn4cncn4)n3CC2)s1 ZINC000096196986 442071071 /nfs/dbraw/zinc/07/10/71/442071071.db2.gz JYFSLEHITXNJRR-UHFFFAOYSA-N 1 0 328.445 1.951 40 0 EDABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200949 442075154 /nfs/dbraw/zinc/07/51/54/442075154.db2.gz KXPFWHCHZAGJBX-MSOLQXFVSA-N 1 0 348.491 1.699 40 0 EDABRO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@]12CCN(CC(=O)N(C)C)C2=O ZINC000096201708 442076358 /nfs/dbraw/zinc/07/63/58/442076358.db2.gz RGYGPTWMHWYPKX-OXQOHEQNSA-N 1 0 343.471 1.488 40 0 EDABRO O=C([C@@H]1CCCO1)N1CCOC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096202156 442077471 /nfs/dbraw/zinc/07/74/71/442077471.db2.gz QHRFWIMKLXQDEJ-WMZOPIPTSA-N 1 0 334.416 1.510 40 0 EDABRO CN(C)C(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000096206978 442080495 /nfs/dbraw/zinc/08/04/95/442080495.db2.gz ZZABWWQJYGXIOK-RDJZCZTQSA-N 1 0 338.473 1.976 40 0 EDABRO Cn1cc(C(=O)N2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)cn1 ZINC000096207273 442081195 /nfs/dbraw/zinc/08/11/95/442081195.db2.gz SBGPDVCSGWZMLP-QGZVFWFLSA-N 1 0 346.475 1.773 40 0 EDABRO O=C1NC[C@H](COc2ccccn2)[C@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096215141 442085910 /nfs/dbraw/zinc/08/59/10/442085910.db2.gz HOSWFQOHNKCBRW-CRAIPNDOSA-N 1 0 327.384 1.692 40 0 EDABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)o1 ZINC000096215976 442087537 /nfs/dbraw/zinc/08/75/37/442087537.db2.gz HZUZJBLPEGRQRN-MRXNPFEDSA-N 1 0 341.477 1.682 40 0 EDABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccnnc1)CC2 ZINC000096240322 442099737 /nfs/dbraw/zinc/09/97/37/442099737.db2.gz CGDVPVIEKBSNCW-INIZCTEOSA-N 1 0 332.448 1.828 40 0 EDABRO CC(C)(C)OC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000265540632 442816349 /nfs/dbraw/zinc/81/63/49/442816349.db2.gz KPKXBGLKFPRIOJ-QAPCUYQASA-N 1 0 336.432 1.509 40 0 EDABRO c1cc(CN2CCOC[C@]3(C[N@H+](C[C@H]4CCOC4)CCO3)C2)ccn1 ZINC000247835795 442869492 /nfs/dbraw/zinc/86/94/92/442869492.db2.gz NIZUIXPMYNVJKN-RTBURBONSA-N 1 0 347.459 1.021 40 0 EDABRO Cc1nc(CO[C@@H]2CO[C@@]3(C2)CCC[N@@H+](C[C@H](C)O)C3)cs1 ZINC000248032689 442878059 /nfs/dbraw/zinc/87/80/59/442878059.db2.gz MLTMFYUSEWZAMG-VBNZEHGJSA-N 1 0 326.462 1.972 40 0 EDABRO Cc1nccc(C(=O)N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257294271 443134277 /nfs/dbraw/zinc/13/42/77/443134277.db2.gz QTIIMVPWOJVWPC-CQSZACIVSA-N 1 0 327.388 1.236 40 0 EDABRO C[N@H+](CCC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1ccccn1 ZINC000257306914 443140590 /nfs/dbraw/zinc/14/05/90/443140590.db2.gz SWOFOQDTJRMMBD-QGZVFWFLSA-N 1 0 341.415 1.294 40 0 EDABRO CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(CCOc2ccccc2)C1 ZINC000257227659 443124409 /nfs/dbraw/zinc/12/44/09/443124409.db2.gz FQHRPGISOVWOSP-ZDUSSCGKSA-N 1 0 335.429 1.682 40 0 EDABRO Cc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257241348 443126113 /nfs/dbraw/zinc/12/61/13/443126113.db2.gz HXSWBGGTKMTNIH-IAGOWNOFSA-N 1 0 328.416 1.012 40 0 EDABRO Cc1noc(C)c1-c1cnc(C[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)cn1 ZINC000257283473 443130424 /nfs/dbraw/zinc/13/04/24/443130424.db2.gz OYMKLMXSNIUEDY-CQSZACIVSA-N 1 0 343.431 1.701 40 0 EDABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257285869 443131010 /nfs/dbraw/zinc/13/10/10/443131010.db2.gz PJGPNROPQHPTFA-IRXDYDNUSA-N 1 0 338.473 1.356 40 0 EDABRO O=C(CCn1cnc2ccccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257327037 443149240 /nfs/dbraw/zinc/14/92/40/443149240.db2.gz WZPUEVSHHBRBER-IBGZPJMESA-N 1 0 342.443 1.486 40 0 EDABRO CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000257332339 443151116 /nfs/dbraw/zinc/15/11/16/443151116.db2.gz XWVXRRUWDHAXKF-MRXNPFEDSA-N 1 0 338.459 1.757 40 0 EDABRO C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(C(F)(F)F)n1 ZINC000329032205 444452339 /nfs/dbraw/zinc/45/23/39/444452339.db2.gz QMKWQYGQBJVWQJ-NSHDSACASA-N 1 0 347.385 1.294 40 0 EDABRO COCCN1C[C@@]2(CC1=O)COCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585104424 448687089 /nfs/dbraw/zinc/68/70/89/448687089.db2.gz MZFKRZPBZATHBV-LPHOPBHVSA-N 1 0 332.444 1.945 40 0 EDABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccccc2)CC1 ZINC000585106051 448688346 /nfs/dbraw/zinc/68/83/46/448688346.db2.gz HWDOMQCOCVSAOQ-SJORKVTESA-N 1 0 341.455 1.749 40 0 EDABRO Cc1ccccc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC000585108505 448688890 /nfs/dbraw/zinc/68/88/90/448688890.db2.gz XZOZWEWQBGQPOW-IAGOWNOFSA-N 1 0 329.444 1.762 40 0 EDABRO C[NH+]1CCC(C)(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585276675 448723050 /nfs/dbraw/zinc/72/30/50/448723050.db2.gz OVUGZNYVBHQUBK-IBGZPJMESA-N 1 0 332.444 1.761 40 0 EDABRO O=C(C[NH+]1CCCC1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585269030 448716717 /nfs/dbraw/zinc/71/67/17/448716717.db2.gz IFDCJBUOKANSPX-SFHVURJKSA-N 1 0 336.407 1.054 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000585269208 448716944 /nfs/dbraw/zinc/71/69/44/448716944.db2.gz LOSNEDKYBLBLBK-LJQANCHMSA-N 1 0 332.444 1.303 40 0 EDABRO O=S(=O)(c1ccccc1)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093929 448677712 /nfs/dbraw/zinc/67/77/12/448677712.db2.gz PZECJDIUWVHVNX-OAHLLOKOSA-N 1 0 336.457 1.154 40 0 EDABRO COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1C[NH+](C)C ZINC000585097014 448680833 /nfs/dbraw/zinc/68/08/33/448680833.db2.gz GOEOVGHNJPEEFX-ZDUSSCGKSA-N 1 0 329.404 1.263 40 0 EDABRO C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1O ZINC000585280633 448730555 /nfs/dbraw/zinc/73/05/55/448730555.db2.gz MLIWKUAKGZDHRR-QRVBRYPASA-N 1 0 339.439 1.969 40 0 EDABRO Cc1ccc(-c2nsc(NC(=O)c3cn(CC[NH3+])nn3)n2)s1 ZINC000662546488 453276238 /nfs/dbraw/zinc/27/62/38/453276238.db2.gz KCOJZEFLOZVBQM-UHFFFAOYSA-N 1 0 335.418 1.378 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218579902 486154995 /nfs/dbraw/zinc/15/49/95/486154995.db2.gz PACMMUHJVBRHGH-VNHYZAJKSA-N 1 0 329.393 1.234 40 0 EDABRO CC(C)C[C@@H](NC(=O)[C@H](NCC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000224555078 486171610 /nfs/dbraw/zinc/17/16/10/486171610.db2.gz UABCFHFXPFDWCS-IAGOWNOFSA-N 1 0 348.491 1.729 40 0 EDABRO c1ccc(-c2cc(C[NH2+]C[C@@H]3COCCO3)c3nnnn3c2)cc1 ZINC000019374024 534479172 /nfs/dbraw/zinc/47/91/72/534479172.db2.gz LWNQDOGZJPQXDQ-MRXNPFEDSA-N 1 0 325.372 1.296 40 0 EDABRO CC(C)Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)n(C)n1 ZINC000257320377 535333474 /nfs/dbraw/zinc/33/34/74/535333474.db2.gz VWODOVAFVBMSBE-JFIYKMOQSA-N 1 0 348.491 1.678 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218541326 535596541 /nfs/dbraw/zinc/59/65/41/535596541.db2.gz TWOORSUUPMNTET-ZOBUZTSGSA-N 1 0 339.457 1.658 40 0 EDABRO COc1cccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCO3)C2)c1 ZINC000097953654 219065274 /nfs/dbraw/zinc/06/52/74/219065274.db2.gz ZSHBMCLHPZNJLL-OKZBNKHCSA-N 1 0 346.427 1.696 40 0 EDABRO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CCOCC3)C2=O)cc1 ZINC000100237988 219095187 /nfs/dbraw/zinc/09/51/87/219095187.db2.gz MFMUCENLPBWLGP-HNNXBMFYSA-N 1 0 346.383 1.264 40 0 EDABRO C[NH+](C)CCCNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100217134 219095210 /nfs/dbraw/zinc/09/52/10/219095210.db2.gz GHJVQEULJIRVQR-SUNYJGFJSA-N 1 0 329.400 1.142 40 0 EDABRO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1C ZINC000036718960 213113435 /nfs/dbraw/zinc/11/34/35/213113435.db2.gz BEERMGACMMQTOF-XJNFMUPTSA-N 1 0 332.444 1.733 40 0 EDABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)[nH+]1 ZINC000072367549 216175087 /nfs/dbraw/zinc/17/50/87/216175087.db2.gz RMQFGDSKXKFVGW-HNNXBMFYSA-N 1 0 349.460 1.715 40 0 EDABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)C[NH3+])n2)n1 ZINC000072382977 216183538 /nfs/dbraw/zinc/18/35/38/216183538.db2.gz FKVFRWUEKIWQGN-CYBMUJFWSA-N 1 0 327.392 1.249 40 0 EDABRO Cc1cc(CCC(N)=O)cc(C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000072382847 216183600 /nfs/dbraw/zinc/18/36/00/216183600.db2.gz JMRNCDHHOOWIIY-UHFFFAOYSA-N 1 0 332.448 1.076 40 0 EDABRO Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(C(=O)C[NH3+])C2)n1 ZINC000072382988 216184393 /nfs/dbraw/zinc/18/43/93/216184393.db2.gz OOGRSIVPSFQHGP-ZDUSSCGKSA-N 1 0 326.404 1.507 40 0 EDABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21 ZINC000072391684 216190677 /nfs/dbraw/zinc/19/06/77/216190677.db2.gz PPVXZDVVQPUDAT-ZDUSSCGKSA-N 1 0 344.463 1.750 40 0 EDABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cnn(C)c2C)c1 ZINC000257217687 244173968 /nfs/dbraw/zinc/17/39/68/244173968.db2.gz DADDLKVACJYAAS-KRWDZBQOSA-N 1 0 327.432 1.235 40 0 EDABRO Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257231744 244216561 /nfs/dbraw/zinc/21/65/61/244216561.db2.gz GIAJVDMGKPLEAA-KRWDZBQOSA-N 1 0 343.431 1.712 40 0 EDABRO O=C(c1cc([C@H]2C[NH2+]CCO2)nc2ccccc21)N1CCOCC1 ZINC000257226476 244200535 /nfs/dbraw/zinc/20/05/35/244200535.db2.gz FKTMUIXMRQWRJE-QGZVFWFLSA-N 1 0 327.384 1.368 40 0 EDABRO CC(C)c1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)[nH]n1 ZINC000257227208 244204907 /nfs/dbraw/zinc/20/49/07/244204907.db2.gz FOCXNAWMVRRGQP-GOSISDBHSA-N 1 0 334.464 1.986 40 0 EDABRO Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cc(C[NH3+])cn2)n1 ZINC000257255271 244279210 /nfs/dbraw/zinc/27/92/10/244279210.db2.gz KGVVMYBLPDSFPM-UHFFFAOYSA-N 1 0 338.415 1.574 40 0 EDABRO O=C(Cc1cccnc1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257256609 244284092 /nfs/dbraw/zinc/28/40/92/244284092.db2.gz KMFGIFIMYWWEDR-MRXNPFEDSA-N 1 0 339.386 1.319 40 0 EDABRO CCc1noc(CCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257264950 244359248 /nfs/dbraw/zinc/35/92/48/244359248.db2.gz LWQKSWUFGWBXNP-PBFPGSCMSA-N 1 0 336.436 1.059 40 0 EDABRO CN(C)c1cnc(C[C@H]2CCC[N@H+](CC3(O)CCOCC3)CC2)cn1 ZINC000257262499 244350059 /nfs/dbraw/zinc/35/00/59/244350059.db2.gz LLRBCYXXYMIXHN-INIZCTEOSA-N 1 0 348.491 1.729 40 0 EDABRO Cc1cc(C)n(CCCC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)n1 ZINC000257308738 244484008 /nfs/dbraw/zinc/48/40/08/244484008.db2.gz TXXKIHSVUDVBEV-ZHALLVOQSA-N 1 0 348.491 1.726 40 0 EDABRO COC[C@@H](O)CN1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019593045 212050421 /nfs/dbraw/zinc/05/04/21/212050421.db2.gz IZKSTZYVPZSGAC-KRWDZBQOSA-N 1 0 338.879 1.997 40 0 EDABRO O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292205 212011265 /nfs/dbraw/zinc/01/12/65/212011265.db2.gz BCASGFXUQBYAPV-HNNXBMFYSA-N 1 0 339.399 1.965 40 0 EDABRO [NH3+]CC(=O)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392984 217218326 /nfs/dbraw/zinc/21/83/26/217218326.db2.gz IKPIEFGATXSBOC-INIZCTEOSA-N 1 0 331.416 1.737 40 0 EDABRO CC(C)CNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000012220153 211321978 /nfs/dbraw/zinc/32/19/78/211321978.db2.gz FXTKSEXHGARECT-RDTXWAMCSA-N 1 0 335.448 1.863 40 0 EDABRO O=CN1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000039773561 257854803 /nfs/dbraw/zinc/85/48/03/257854803.db2.gz RCXTUWCJCGNBPJ-UHFFFAOYSA-N 1 0 333.407 1.338 40 0 EDABRO CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096243543 273953198 /nfs/dbraw/zinc/95/31/98/273953198.db2.gz WUOXWBSUYFUIIA-AWEZNQCLSA-N 1 0 346.456 1.581 40 0 EDABRO CS(=O)(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000108525398 277499652 /nfs/dbraw/zinc/49/96/52/277499652.db2.gz ZDXYCYMVMGFRRK-AWEZNQCLSA-N 1 0 344.502 1.811 40 0 EDABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008297973 441088238 /nfs/dbraw/zinc/08/82/38/441088238.db2.gz QXEXZUYMERZOBX-KFWWJZLASA-N 1 0 333.480 1.811 40 0 biogenic,in-vitro EDABRO c1ccc(-c2cc(C[NH2+]CCc3cnccn3)c3nnnn3c2)cc1 ZINC000019374031 441256804 /nfs/dbraw/zinc/25/68/04/441256804.db2.gz RKCINQKWVOUJAQ-UHFFFAOYSA-N 1 0 331.383 1.914 40 0 EDABRO COCC[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC000107712157 441426566 /nfs/dbraw/zinc/42/65/66/441426566.db2.gz WCLWCGWEWIKNPW-AEFFLSMTSA-N 1 0 340.464 1.143 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 ZINC000107731214 441427640 /nfs/dbraw/zinc/42/76/40/441427640.db2.gz QDFZTUHMSIBKAD-WBVHZDCISA-N 1 0 346.410 1.585 40 0 EDABRO Cc1ncc(C[N@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)[nH]1 ZINC000108524927 441459426 /nfs/dbraw/zinc/45/94/26/441459426.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 1 0 328.420 1.236 40 0 EDABRO O=C(/C=C/c1ccccc1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122031041 441831051 /nfs/dbraw/zinc/83/10/51/441831051.db2.gz FKGZOYWSBOCXNQ-KNJKRIMISA-N 1 0 341.455 1.807 40 0 EDABRO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096048405 441996047 /nfs/dbraw/zinc/99/60/47/441996047.db2.gz KKTUIYXYBNMSEK-FUHWJXTLSA-N 1 0 332.448 1.939 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccncc2)C1 ZINC000096040210 441987101 /nfs/dbraw/zinc/98/71/01/441987101.db2.gz UAEOBIHVOFJEEK-MJGOQNOKSA-N 1 0 347.459 1.558 40 0 EDABRO Cc1cccc(CO[C@@H]2CN(C(=O)C[NH+](C)C)[C@@H]3CCCO[C@H]23)n1 ZINC000096042505 441989805 /nfs/dbraw/zinc/98/98/05/441989805.db2.gz PMSFCQZCMGTBSL-NUJGCVRESA-N 1 0 333.432 1.227 40 0 EDABRO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096057336 442005552 /nfs/dbraw/zinc/00/55/52/442005552.db2.gz BJYWVCXAFCMJCI-ZACQAIPSSA-N 1 0 336.407 1.710 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)cn1 ZINC000096107138 442030754 /nfs/dbraw/zinc/03/07/54/442030754.db2.gz WUZHTVXDFDXAFQ-CVEARBPZSA-N 1 0 346.456 1.736 40 0 EDABRO O=C(c1ccnnc1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108214 442031546 /nfs/dbraw/zinc/03/15/46/442031546.db2.gz WWQYTPWCVUAMTM-JKSUJKDBSA-N 1 0 344.440 1.511 40 0 EDABRO O=C(c1ccno1)N1CC[C@@H]2O[C@@H](COCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096186706 442063296 /nfs/dbraw/zinc/06/32/96/442063296.db2.gz OSHQIIIQTMFWIU-PMPSAXMXSA-N 1 0 349.431 1.549 40 0 EDABRO c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](C[NH+]1CCOCC1)C2 ZINC000096188490 442065920 /nfs/dbraw/zinc/06/59/20/442065920.db2.gz YTQHTIIIFNWMRJ-MRXNPFEDSA-N 1 0 332.473 1.909 40 0 EDABRO Cn1cc(CN2CCOC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)cn1 ZINC000096202121 442077735 /nfs/dbraw/zinc/07/77/35/442077735.db2.gz DOUOAPKCWLHFMH-SFHVURJKSA-N 1 0 330.432 1.738 40 0 EDABRO CN(C)C(=O)CN1C(=O)CCC12CC[NH+](Cc1cccn1C)CC2 ZINC000096228095 442096461 /nfs/dbraw/zinc/09/64/61/442096461.db2.gz IPYBCBGVVDRXKY-UHFFFAOYSA-N 1 0 332.448 1.070 40 0 EDABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261551 442108838 /nfs/dbraw/zinc/10/88/38/442108838.db2.gz NUUPGOHYUFHJRU-RVKKMQEKSA-N 1 0 334.464 1.072 40 0 EDABRO COc1ccccc1CN1CC2(C1)C[C@H](OCC(=O)N(C)C)CCO2 ZINC000247987885 442876094 /nfs/dbraw/zinc/87/60/94/442876094.db2.gz KWORTLICLGUPBN-MRXNPFEDSA-N 1 0 348.443 1.533 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000248038522 442878420 /nfs/dbraw/zinc/87/84/20/442878420.db2.gz NMRSWRZHMXFVHL-AEFFLSMTSA-N 1 0 332.448 1.966 40 0 EDABRO CN(C)C(=O)CO[C@@H]1CSC2(C[NH+](CC3CCOCC3)C2)C1 ZINC000248053465 442879213 /nfs/dbraw/zinc/87/92/13/442879213.db2.gz XWHKSJYQWWJAOA-AWEZNQCLSA-N 1 0 328.478 1.078 40 0 EDABRO Cc1ccc(C(=O)N2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cn1 ZINC000257287525 443132536 /nfs/dbraw/zinc/13/25/36/443132536.db2.gz PQIWPUPKJDMGSS-INIZCTEOSA-N 1 0 339.386 1.698 40 0 EDABRO Cc1ocnc1C(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257322167 443146886 /nfs/dbraw/zinc/14/68/86/443146886.db2.gz WEVFITWCOFTQGZ-UHFFFAOYSA-N 1 0 343.431 1.930 40 0 EDABRO C[C@@H]1C[N@@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000226170711 443121036 /nfs/dbraw/zinc/12/10/36/443121036.db2.gz RETOKUOVURNNNX-IJEWVQPXSA-N 1 0 327.396 1.691 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(N)C[NH3+] ZINC000242548463 443211259 /nfs/dbraw/zinc/21/12/59/443211259.db2.gz LMFHWQNFCAIFMR-IJLUTSLNSA-N 1 0 333.251 1.006 40 0 EDABRO c1nc2n(c1-c1cncnc1)C[C@]1(C2)COCC[N@@H+](CC2CC2)C1 ZINC000306130196 444285752 /nfs/dbraw/zinc/28/57/52/444285752.db2.gz IZABUQIVEZSUEO-GOSISDBHSA-N 1 0 325.416 1.625 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306136633 444286752 /nfs/dbraw/zinc/28/67/52/444286752.db2.gz PYUPQMAVRVPSLI-NEPJUHHUSA-N 1 0 343.456 1.536 40 0 EDABRO O=C(NCC[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)c1cnccn1 ZINC000306138188 444287127 /nfs/dbraw/zinc/28/71/27/444287127.db2.gz RSBFXJXWWQCAAL-OAHLLOKOSA-N 1 0 340.431 1.793 40 0 EDABRO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306139013 444287282 /nfs/dbraw/zinc/28/72/82/444287282.db2.gz SNDKCIVLSRPLSL-ZFWWWQNUSA-N 1 0 342.399 1.027 40 0 EDABRO Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCCCO)[nH+]1 ZINC000329018003 444446984 /nfs/dbraw/zinc/44/69/84/444446984.db2.gz NORCVZQOECRTEC-AWEZNQCLSA-N 1 0 342.443 2.195 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3nccs3)C2)C1 ZINC000514288595 448160085 /nfs/dbraw/zinc/16/00/85/448160085.db2.gz DBAVUADTHZHUSW-LSDHHAIUSA-N 1 0 336.505 1.104 40 0 biogenic,in-vitro EDABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514288825 448160713 /nfs/dbraw/zinc/16/07/13/448160713.db2.gz FVSCHWJPKFLHNI-VQTJNVASSA-N 1 0 341.499 1.587 40 0 biogenic,in-vitro EDABRO CC(C)CN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290245 448162325 /nfs/dbraw/zinc/16/23/25/448162325.db2.gz VLZIZAQGPMKOEA-WOJBJXKFSA-N 1 0 343.515 1.690 40 0 biogenic,in-vitro EDABRO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](OCc1cccnc1)CCO2 ZINC000585093692 448675749 /nfs/dbraw/zinc/67/57/49/448675749.db2.gz HLFFKWNBURBWQK-INIZCTEOSA-N 1 0 333.432 1.310 40 0 EDABRO Cc1ccccc1C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC000585279814 448729317 /nfs/dbraw/zinc/72/93/17/448729317.db2.gz PRYIJSXUUCRMAO-QZTJIDSGSA-N 1 0 332.444 1.079 40 0 EDABRO C[NH+](C)CC(=O)NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585286486 448732795 /nfs/dbraw/zinc/73/27/95/448732795.db2.gz YRBXNYIPWRHUPB-DJSGYFEHSA-N 1 0 326.824 1.536 40 0 EDABRO CCc1ccc(C[N@@H+]2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC000585295269 448737538 /nfs/dbraw/zinc/73/75/38/448737538.db2.gz SGLBIWKTQCZPCF-JSXRDJHFSA-N 1 0 341.451 1.759 40 0 EDABRO C[NH+](C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382104 449220192 /nfs/dbraw/zinc/22/01/92/449220192.db2.gz DNRNMGOXCLMHRN-BRSBDYLESA-N 1 0 327.428 1.606 40 0 biogenic,in-vitro EDABRO CC(C)n1nccc1C[N@@H+]1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257208387 535147176 /nfs/dbraw/zinc/14/71/76/535147176.db2.gz BLYVXWRYNPCWRW-CQSZACIVSA-N 1 0 331.420 1.651 40 0 EDABRO COc1ccc(F)cc1C(=O)NCc1c[nH]c([C@H]2CC[N@H+](C)C2)n1 ZINC000257216472 536616456 /nfs/dbraw/zinc/61/64/56/536616456.db2.gz CUPZNCBJKYQYDG-NSHDSACASA-N 1 0 332.379 1.907 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCc2cnn(C)c2C)cc1 ZINC000257272769 536945177 /nfs/dbraw/zinc/94/51/77/536945177.db2.gz NDUBTYUWLSLPRH-GOSISDBHSA-N 1 0 342.443 1.843 40 0 EDABRO COC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000004126918 210128258 /nfs/dbraw/zinc/12/82/58/210128258.db2.gz NISLTMRZMUZZOT-UHFFFAOYSA-N 1 0 333.373 1.158 40 0 EDABRO O=C(c1nccc2ccccc21)N1CCn2c(nnc2[C@H]2CCC[NH2+]2)C1 ZINC000072373971 216177161 /nfs/dbraw/zinc/17/71/61/216177161.db2.gz APXGQQXQUQPBSJ-OAHLLOKOSA-N 1 0 348.410 1.907 40 0 EDABRO CC(=O)NCc1cncc([C@H]2CCCN2C(=O)C[NH+]2CCCCC2)n1 ZINC000072379640 216181888 /nfs/dbraw/zinc/18/18/88/216181888.db2.gz DFSMXPIEYXWOLW-QGZVFWFLSA-N 1 0 345.447 1.262 40 0 EDABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)CC(C)(C)C)c3nccnc23)C1 ZINC000072391651 216191330 /nfs/dbraw/zinc/19/13/30/216191330.db2.gz DRCDSYJADBWKSW-ZDUSSCGKSA-N 1 0 344.463 1.798 40 0 EDABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218085450 241296582 /nfs/dbraw/zinc/29/65/82/241296582.db2.gz JRWUAKGYPKIFDE-HRCADAONSA-N 1 0 327.446 1.577 40 0 EDABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C[NH3+])cc1 ZINC000218096296 241298567 /nfs/dbraw/zinc/29/85/67/241298567.db2.gz ZOWPSFGVHIFVRO-BRWVUGGUSA-N 1 0 332.425 1.291 40 0 EDABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218204618 241305455 /nfs/dbraw/zinc/30/54/55/241305455.db2.gz LMFHWQNFCAIFMR-WOPDTQHZSA-N 1 0 333.251 1.006 40 0 EDABRO Cc1noc(C)c1-c1nc([C@H]2CCCN(C(=O)C[NH3+])C2)ccc1CO ZINC000257206167 244134074 /nfs/dbraw/zinc/13/40/74/244134074.db2.gz BCDPSHNYGULYJK-ZDUSSCGKSA-N 1 0 344.415 1.510 40 0 EDABRO Cn1c(C(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)cc2cc(F)ccc21 ZINC000257235907 244228684 /nfs/dbraw/zinc/22/86/84/244228684.db2.gz HABCHLNPKUTNGP-LJQANCHMSA-N 1 0 345.418 1.990 40 0 EDABRO CN(C)C(=O)[C@H]1CN(C)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257247605 244259641 /nfs/dbraw/zinc/25/96/41/244259641.db2.gz IZRIRHHZJCEDII-INIZCTEOSA-N 1 0 326.444 1.687 40 0 EDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1F ZINC000020108397 212101403 /nfs/dbraw/zinc/10/14/03/212101403.db2.gz AHLCSOYAWHXSLX-UHFFFAOYSA-N 1 0 330.425 1.989 40 0 EDABRO O=C(c1ccncc1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257270615 244376991 /nfs/dbraw/zinc/37/69/91/244376991.db2.gz MUYJBFMLWFVZSQ-FQEVSTJZSA-N 1 0 337.423 1.717 40 0 EDABRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H](C(=O)N(C)C)C2)cc1 ZINC000257277707 244398233 /nfs/dbraw/zinc/39/82/33/244398233.db2.gz NZBRYLHQKPQEFG-KRWDZBQOSA-N 1 0 347.459 1.454 40 0 EDABRO Cc1noc(C)c1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019579822 212046790 /nfs/dbraw/zinc/04/67/90/212046790.db2.gz XQXXTBNKVZCCEQ-CYBMUJFWSA-N 1 0 341.415 1.699 40 0 EDABRO [NH3+]CC(=O)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393000 217218452 /nfs/dbraw/zinc/21/84/52/217218452.db2.gz WFUMRLFJPYLNPZ-INIZCTEOSA-N 1 0 345.443 1.985 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393089 217218935 /nfs/dbraw/zinc/21/89/35/217218935.db2.gz ICNTTYVCJLHXQJ-GOEBONIOSA-N 1 0 333.432 1.983 40 0 EDABRO CS(=O)(=O)Nc1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000013672508 211604101 /nfs/dbraw/zinc/60/41/01/211604101.db2.gz VSARSUXJXFCFKB-UHFFFAOYSA-N 1 0 325.434 1.274 40 0 EDABRO Cn1nnc2c1CCN(CC[NH+](C)C)[C@H]2COCc1ccccc1 ZINC000096045324 218530739 /nfs/dbraw/zinc/53/07/39/218530739.db2.gz DLMMIFWPYFLURH-KRWDZBQOSA-N 1 0 329.448 1.493 40 0 EDABRO O=C(C[C@H]1C[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2O1)NCc1ccco1 ZINC000096208126 218682667 /nfs/dbraw/zinc/68/26/67/218682667.db2.gz OWGUROLOPUKELQ-CGTJXYLNSA-N 1 0 348.443 1.802 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218466113 285955417 /nfs/dbraw/zinc/95/54/17/285955417.db2.gz VNHCISAJECAVFL-SGMGOOAPSA-N 1 0 331.821 1.359 40 0 EDABRO COCC[N@@H+]1Cc2ccccc2C2(CCN(C(=O)COC)CC2)C1 ZINC000096079531 277227889 /nfs/dbraw/zinc/22/78/89/277227889.db2.gz HXPYCIBDISFXOA-UHFFFAOYSA-N 1 0 332.444 1.655 40 0 EDABRO COC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340208 277331252 /nfs/dbraw/zinc/33/12/52/277331252.db2.gz MMUMROJPLZJRGC-ZRGWGRIASA-N 1 0 345.395 1.715 40 0 EDABRO CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019460469 281399657 /nfs/dbraw/zinc/39/96/57/281399657.db2.gz DMAPTFUBGTZCKK-GXTWGEPZSA-N 1 0 344.415 1.128 40 0 EDABRO Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)C[NH+]3CCCCC3)C[C@H]21 ZINC000012120048 282007232 /nfs/dbraw/zinc/00/72/32/282007232.db2.gz AEKKKFIXHNWPAN-HIFRSBDPSA-N 1 0 330.432 1.052 40 0 EDABRO C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cccnc2)C1 ZINC000096044191 289170875 /nfs/dbraw/zinc/17/08/75/289170875.db2.gz STODFCHLRPXYRV-HNNXBMFYSA-N 1 0 343.431 1.129 40 0 EDABRO CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253919 441087135 /nfs/dbraw/zinc/08/71/35/441087135.db2.gz DQPPQAAUUJYYLY-KFWWJZLASA-N 1 0 340.431 1.139 40 0 biogenic,in-vitro EDABRO Cc1cc(C(=O)N2CCc3ncc(C[N@@H+](C)C(C)C)n3CC2)no1 ZINC000104932467 441223497 /nfs/dbraw/zinc/22/34/97/441223497.db2.gz XGTNNVOPANRHRY-UHFFFAOYSA-N 1 0 331.420 1.718 40 0 EDABRO Cc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c(C)n1C[C@H]1CCCO1 ZINC000072324846 441229807 /nfs/dbraw/zinc/22/98/07/441229807.db2.gz IZBVKXPGWYFINJ-XWPNQZOQSA-N 1 0 347.503 1.923 40 0 EDABRO COc1ccccc1C[N@@H+]1C[C@H](C(=O)NC2CCC2)[C@H]2OCC[C@H]21 ZINC000108529329 441460564 /nfs/dbraw/zinc/46/05/64/441460564.db2.gz QDLISHBPLLVKGO-LZLYRXPVSA-N 1 0 330.428 1.953 40 0 EDABRO COc1c2c(cc3c1C[N@H+]1C[C@H](O)[C@]34C=C[C@@H](OC)C[C@H]14)OCO2 ZINC000036385211 441607395 /nfs/dbraw/zinc/60/73/95/441607395.db2.gz QAHZAHIPKNLGAS-OEAXYECKSA-N 1 0 331.368 1.195 40 0 EDABRO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000096054136 442001091 /nfs/dbraw/zinc/00/10/91/442001091.db2.gz OGQDGDRWXUZTMC-ZIAGYGMSSA-N 1 0 329.491 1.308 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1CC=CC1)C2 ZINC000096039565 441985484 /nfs/dbraw/zinc/98/54/84/441985484.db2.gz RDAGUBQWWHPTKJ-IEBWSBKVSA-N 1 0 336.476 1.929 40 0 EDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096038772 441985790 /nfs/dbraw/zinc/98/57/90/441985790.db2.gz OKSRGILEXGCZPA-IEBWSBKVSA-N 1 0 325.412 1.962 40 0 EDABRO O=C(NCc1cccnc1)[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]2OCC[C@H]21 ZINC000096038890 441985868 /nfs/dbraw/zinc/98/58/68/441985868.db2.gz ZEWZDUUTZMTBLZ-RCCFBDPRSA-N 1 0 341.411 1.828 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)cn1 ZINC000096061516 442009523 /nfs/dbraw/zinc/00/95/23/442009523.db2.gz ROHJOTQLXUDWIR-INIZCTEOSA-N 1 0 342.447 1.134 40 0 EDABRO Cn1cc(C[N@H+]2CCc3nnc(COc4ccccn4)n3CC2)cn1 ZINC000096058875 442006428 /nfs/dbraw/zinc/00/64/28/442006428.db2.gz AROMEDUXZSEZNS-UHFFFAOYSA-N 1 0 339.403 1.044 40 0 EDABRO O=c1ccc2c(n1Cc1ccncc1)CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096067800 442015440 /nfs/dbraw/zinc/01/54/40/442015440.db2.gz XXNWKXYXOKSXGG-QGZVFWFLSA-N 1 0 325.412 1.481 40 0 EDABRO COc1cccc(CC(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC000096066898 442014441 /nfs/dbraw/zinc/01/44/41/442014441.db2.gz AOPNFKYPWSFZOV-MRXNPFEDSA-N 1 0 342.443 1.654 40 0 EDABRO C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccsc1)CCC2 ZINC000096084343 442024125 /nfs/dbraw/zinc/02/41/25/442024125.db2.gz FDSRVQYYEOYAKK-UHFFFAOYSA-N 1 0 349.460 1.464 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CNC(=O)c3ccco3)C2)cn1 ZINC000096185312 442059267 /nfs/dbraw/zinc/05/92/67/442059267.db2.gz MVOJKVZZKZJXQW-INMHGKMJSA-N 1 0 344.415 1.280 40 0 EDABRO CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185644 442059307 /nfs/dbraw/zinc/05/93/07/442059307.db2.gz IEJXCKBSWAWULG-IKGGRYGDSA-N 1 0 329.404 1.383 40 0 EDABRO C[NH+](C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3cccs3)C[C@@H]21 ZINC000096185398 442059658 /nfs/dbraw/zinc/05/96/58/442059658.db2.gz NTSDECKQZPHGDN-RWMBFGLXSA-N 1 0 330.475 1.335 40 0 EDABRO CN1[C@H](C[NH+](C)C)C[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]21 ZINC000096185554 442059704 /nfs/dbraw/zinc/05/97/04/442059704.db2.gz FCDQFUZFPYRIPJ-RDBSUJKOSA-N 1 0 343.518 1.393 40 0 EDABRO O=c1ccc2c(n1CCn1cccn1)CC[C@@H]([NH2+]Cc1ccoc1)C2 ZINC000096189797 442067807 /nfs/dbraw/zinc/06/78/07/442067807.db2.gz DIEVRCCRDNPLLJ-QGZVFWFLSA-N 1 0 338.411 1.985 40 0 EDABRO c1csc(C[NH2+]C[C@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 ZINC000096199262 442072791 /nfs/dbraw/zinc/07/27/91/442072791.db2.gz USHDFPCFVKGNNJ-LBPRGKRZSA-N 1 0 328.401 1.485 40 0 EDABRO Cc1cccc(CN2CC3(CC[NH+]([C@@H]4CCOC4)CC3)OCC2=O)n1 ZINC000096201461 442076524 /nfs/dbraw/zinc/07/65/24/442076524.db2.gz IRVGPVZRPXRZKZ-QGZVFWFLSA-N 1 0 345.443 1.372 40 0 EDABRO O=C(C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1F)C2)N1CCOCC1 ZINC000096205964 442079596 /nfs/dbraw/zinc/07/95/96/442079596.db2.gz IBNCXARFIYWBSM-APWZRJJASA-N 1 0 348.418 1.523 40 0 EDABRO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1)N1CCC1 ZINC000096215318 442085329 /nfs/dbraw/zinc/08/53/29/442085329.db2.gz CFNNAJJSBGNFOK-HDMKZQKVSA-N 1 0 344.411 1.627 40 0 EDABRO COc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)ncn1 ZINC000096217254 442088593 /nfs/dbraw/zinc/08/85/93/442088593.db2.gz BDXYSNZZYQXOKF-SFHVURJKSA-N 1 0 342.447 1.711 40 0 EDABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000096230260 442096963 /nfs/dbraw/zinc/09/69/63/442096963.db2.gz BULCOMGJGBNZNG-UHFFFAOYSA-N 1 0 330.476 1.846 40 0 EDABRO Cc1ccc(C[N@@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)o1 ZINC000096255673 442105833 /nfs/dbraw/zinc/10/58/33/442105833.db2.gz XQUYHTZQDXJVHE-UHFFFAOYSA-N 1 0 341.459 1.731 40 0 EDABRO Cn1cccc1C(=O)N1CCc2c(C[NH+]3CCCC3)nn(C)c2C1 ZINC000096255903 442105850 /nfs/dbraw/zinc/10/58/50/442105850.db2.gz OCFLPMKVGQGPSN-UHFFFAOYSA-N 1 0 327.432 1.553 40 0 EDABRO CCOc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@H](C(=O)N(C)C)C1 ZINC000257292756 443134981 /nfs/dbraw/zinc/13/49/81/443134981.db2.gz QMVCKICGVKHSEX-QGZVFWFLSA-N 1 0 347.459 1.454 40 0 EDABRO CN(C)C(=O)[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+](C)C1 ZINC000257301199 443138000 /nfs/dbraw/zinc/13/80/00/443138000.db2.gz RXJUBVMBKVWSKH-QGZVFWFLSA-N 1 0 341.459 1.529 40 0 EDABRO O=C(C1=Cc2ccccc2OC1)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257325552 443147578 /nfs/dbraw/zinc/14/75/78/443147578.db2.gz WTLZIWSRDIVIHL-IBGZPJMESA-N 1 0 328.412 1.522 40 0 EDABRO CNc1cc([C@H]2CCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000257252671 443125433 /nfs/dbraw/zinc/12/54/33/443125433.db2.gz JVQQXPPRENIQBN-OAHLLOKOSA-N 1 0 338.477 1.684 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccncc2)C1 ZINC000257252199 443125938 /nfs/dbraw/zinc/12/59/38/443125938.db2.gz JTWYLHDDZLTOHR-LJQANCHMSA-N 1 0 343.402 1.930 40 0 EDABRO O=C(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1nccc2ccccc21 ZINC000257330842 443151089 /nfs/dbraw/zinc/15/10/89/443151089.db2.gz XQGFNAUXLBIZOJ-JFIYKMOQSA-N 1 0 325.412 1.952 40 0 EDABRO CNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000306133786 444286334 /nfs/dbraw/zinc/28/63/34/444286334.db2.gz MWCHFFIDGHIAAA-UHFFFAOYSA-N 1 0 345.472 1.928 40 0 EDABRO O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306136634 444286730 /nfs/dbraw/zinc/28/67/30/444286730.db2.gz PYUPQMAVRVPSLI-NWDGAFQWSA-N 1 0 343.456 1.536 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccccc2)cc(-c2cccnc2)n1 ZINC000329021253 444447925 /nfs/dbraw/zinc/44/79/25/444447925.db2.gz OFJGLHNJEMDULB-UHFFFAOYSA-N 1 0 348.454 1.968 40 0 EDABRO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NCCO)[nH+]1 ZINC000329069999 444464168 /nfs/dbraw/zinc/46/41/68/444464168.db2.gz ZCHFFVUQIRWBIR-UHFFFAOYSA-N 1 0 342.443 1.979 40 0 EDABRO CC[C@H](C)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106070 448688402 /nfs/dbraw/zinc/68/84/02/448688402.db2.gz IXPURHDGDRMORQ-HRCADAONSA-N 1 0 343.475 1.540 40 0 EDABRO C[NH+]1CCC(C)(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585276684 448722964 /nfs/dbraw/zinc/72/29/64/448722964.db2.gz OVUGZNYVBHQUBK-LJQANCHMSA-N 1 0 332.444 1.761 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585269142 448716528 /nfs/dbraw/zinc/71/65/28/448716528.db2.gz KLKXZKFERSNXTM-LJQANCHMSA-N 1 0 348.443 1.140 40 0 EDABRO CNC(=O)CC[C@]1(O)CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000585278065 448725159 /nfs/dbraw/zinc/72/51/59/448725159.db2.gz LMKOXNRFVQPKEN-GOSISDBHSA-N 1 0 339.480 1.131 40 0 EDABRO CC(=O)N1CC[N@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C[C@H](CO)C1 ZINC000585282585 448731367 /nfs/dbraw/zinc/73/13/67/448731367.db2.gz HNBBVCDHGXQODP-JENIJYKNSA-N 1 0 340.508 1.726 40 0 EDABRO CCC(CC)[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585286330 448732366 /nfs/dbraw/zinc/73/23/66/448732366.db2.gz YYHSFOPIRHWQNU-ICSRJNTNSA-N 1 0 348.487 1.722 40 0 EDABRO CC(C)[N@@H+]1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000604381766 449220599 /nfs/dbraw/zinc/22/05/99/449220599.db2.gz NOESSWKUSBUTMW-QGZVFWFLSA-N 1 0 333.451 1.805 40 0 biogenic,in-vitro EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493370 535596289 /nfs/dbraw/zinc/59/62/89/535596289.db2.gz IFRYPRVOFPOTPI-YCPHGPKFSA-N 1 0 325.430 1.268 40 0 EDABRO COc1cc(-c2nsc(N3CC[NH2+]CC3)n2)cc(OC)c1OC ZINC000216642844 536870384 /nfs/dbraw/zinc/87/03/84/536870384.db2.gz GLCMGVHYNFDSRP-UHFFFAOYSA-N 1 0 336.417 1.641 40 0 EDABRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687825 210247311 /nfs/dbraw/zinc/24/73/11/210247311.db2.gz HOIPITSALYMZEM-SOUVJXGZSA-N 1 0 345.509 1.037 40 0 EDABRO c1cnn(CCCO[C@@H]2C[N@@H+](C3CCOCC3)[C@@H]3CCCO[C@H]23)c1 ZINC000097953794 219064622 /nfs/dbraw/zinc/06/46/22/219064622.db2.gz JXYLLLCKNILYOO-KURKYZTESA-N 1 0 335.448 1.701 40 0 EDABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000038752145 213223308 /nfs/dbraw/zinc/22/33/08/213223308.db2.gz VNTSKZFEQUDBED-QGZVFWFLSA-N 1 0 333.476 1.906 40 0 EDABRO O[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1)COCc1ccccc1 ZINC000036724576 213113128 /nfs/dbraw/zinc/11/31/28/213113128.db2.gz RDMRJMNWVLCKJA-WOJBJXKFSA-N 1 0 345.439 1.731 40 0 EDABRO COc1ncc(C[N@@H+]2CCC[C@@H](Cc3ccc(N(C)C)nn3)C2)cn1 ZINC000072369276 216175745 /nfs/dbraw/zinc/17/57/45/216175745.db2.gz WWJWMWSDGYMZLJ-AWEZNQCLSA-N 1 0 342.447 1.796 40 0 EDABRO COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])CO)cc1 ZINC000218098645 241297093 /nfs/dbraw/zinc/29/70/93/241297093.db2.gz ALWJDKVZIBLYRE-IXDOHACOSA-N 1 0 333.409 1.325 40 0 EDABRO COCc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257244375 244252683 /nfs/dbraw/zinc/25/26/83/244252683.db2.gz ILACSISLZXFRKO-KZNAEPCWSA-N 1 0 332.444 1.941 40 0 EDABRO Cc1noc(C)c1-c1cc(CC2CCN(C(=O)C[NH3+])CC2)ncn1 ZINC000257238347 244236511 /nfs/dbraw/zinc/23/65/11/244236511.db2.gz HKNWVKRKSCGUMA-UHFFFAOYSA-N 1 0 329.404 1.488 40 0 EDABRO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)c1ccn(C)n1 ZINC000257238931 244238042 /nfs/dbraw/zinc/23/80/42/244238042.db2.gz HNEGIPTVHGTOGP-OPNNQBFTSA-N 1 0 348.491 1.896 40 0 EDABRO Cc1ccc(=O)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)n1 ZINC000257264987 244357783 /nfs/dbraw/zinc/35/77/83/244357783.db2.gz LWVONPSTOIPGEG-JTOWHCCKSA-N 1 0 330.432 1.073 40 0 EDABRO Cc1c(C[N@@H+]2CCC[C@H](NC(=O)c3cnccn3)CC2)cnn1C ZINC000019745556 212060283 /nfs/dbraw/zinc/06/02/83/212060283.db2.gz ATEAFWUYGHWVAS-HNNXBMFYSA-N 1 0 328.420 1.303 40 0 EDABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1ccccn1)C2 ZINC000019707347 212055814 /nfs/dbraw/zinc/05/58/14/212055814.db2.gz BBEIOBODNJHHEF-CYBMUJFWSA-N 1 0 338.415 1.536 40 0 EDABRO CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)[nH]n1 ZINC000019451833 212028006 /nfs/dbraw/zinc/02/80/06/212028006.db2.gz QFVXUZUDKVUMQP-INIZCTEOSA-N 1 0 340.431 1.946 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079413152 217221485 /nfs/dbraw/zinc/22/14/85/217221485.db2.gz SYTBZIVYEYSNCC-CVEARBPZSA-N 1 0 333.432 1.745 40 0 EDABRO O=C1CC[C@H](c2nc(C3CC[NH+](Cc4ccccn4)CC3)no2)N1 ZINC000012337308 211350587 /nfs/dbraw/zinc/35/05/87/211350587.db2.gz NCBWSCXUBBIKFU-CQSZACIVSA-N 1 0 327.388 1.795 40 0 EDABRO Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000004983516 210348084 /nfs/dbraw/zinc/34/80/84/210348084.db2.gz YCRIKEPOEDFHPF-SAPNQHFASA-N 1 0 340.427 1.474 40 0 EDABRO Cc1ccc(N2CC[C@@H]3OCCC[C@]3(COCC[NH+](C)C)C2)nn1 ZINC000096039527 292137412 /nfs/dbraw/zinc/13/74/12/292137412.db2.gz OMHCDEXDTBZELL-FUHWJXTLSA-N 1 0 334.464 1.739 40 0 EDABRO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21)N1CCC(F)CC1 ZINC000096040783 280145182 /nfs/dbraw/zinc/14/51/82/280145182.db2.gz ZMMQNQWNVLFZGM-XYPHTWIQSA-N 1 0 340.439 1.320 40 0 EDABRO CCOC(=O)C1[C@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)O[N+]1=O ZINC000003098272 440887857 /nfs/dbraw/zinc/88/78/57/440887857.db2.gz DYTXRRGYJIFRPF-ZFWWWQNUSA-N 1 0 346.339 1.643 40 0 EDABRO O=C1Nc2ccccc2[C@@]12[NH2+]C[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000011851489 441125573 /nfs/dbraw/zinc/12/55/73/441125573.db2.gz JDMJJGKWPZNOCL-OWZDWXTDSA-N 1 0 347.374 1.239 40 0 EDABRO C[NH+](C)CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013649265 441162822 /nfs/dbraw/zinc/16/28/22/441162822.db2.gz DEARSWAETWXODK-UHFFFAOYSA-N 1 0 347.868 1.174 40 0 EDABRO CCn1c(CN2CC[C@@]3(NC(C)=O)C[NH2+]C[C@H]3C2)nc2ccccc21 ZINC000019713077 441259968 /nfs/dbraw/zinc/25/99/68/441259968.db2.gz LJPQFCDAVPSGJA-HNAYVOBHSA-N 1 0 341.459 1.356 40 0 EDABRO c1csc(CN2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107738774 441428424 /nfs/dbraw/zinc/42/84/24/441428424.db2.gz FXBZZXVUKMYBTK-DOTOQJQBSA-N 1 0 337.489 1.846 40 0 EDABRO COCCNC(=O)C1(N2C[C@@H](CC(C)C)CC2=O)CC[NH+](C)CC1 ZINC000033436030 441595573 /nfs/dbraw/zinc/59/55/73/441595573.db2.gz WPDBHTFDXCJLNJ-HNNXBMFYSA-N 1 0 339.480 1.108 40 0 EDABRO CN1CC[NH+]([C@H]2COC3(C2)CCN(C(=O)c2ccncc2)CC3)CC1 ZINC000096048856 441996906 /nfs/dbraw/zinc/99/69/06/441996906.db2.gz YSAKQKWVNIYJMU-QGZVFWFLSA-N 1 0 344.459 1.093 40 0 EDABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](CC3CC3)CC2)cn1 ZINC000096036956 441983517 /nfs/dbraw/zinc/98/35/17/441983517.db2.gz LZQJRYCBOUIIAX-UHFFFAOYSA-N 1 0 340.475 1.930 40 0 EDABRO CCOCCCNC(=O)c1ccc2ccc(N3CC[NH+](C)CC3)n2c1 ZINC000096038363 441984057 /nfs/dbraw/zinc/98/40/57/441984057.db2.gz VAFCMWNSWYQXNC-UHFFFAOYSA-N 1 0 344.459 1.848 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3ccco3)C2)cn1 ZINC000096038896 441985776 /nfs/dbraw/zinc/98/57/76/441985776.db2.gz NDNBFACLFLWZCB-GVDBMIGSSA-N 1 0 344.415 1.166 40 0 EDABRO C[NH+](C)CCOCc1nnn2c1CN(Cc1cccs1)CCC2 ZINC000096058820 442006437 /nfs/dbraw/zinc/00/64/37/442006437.db2.gz PPDDKMHTHMLTEL-UHFFFAOYSA-N 1 0 335.477 1.824 40 0 EDABRO Cc1ccc(CN2CCCn3nnc(COCC[NH+](C)C)c3C2)o1 ZINC000096058825 442006858 /nfs/dbraw/zinc/00/68/58/442006858.db2.gz OVRYRPZPISGLNW-UHFFFAOYSA-N 1 0 333.436 1.664 40 0 EDABRO COCCNC(=O)[C@H]1CO[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC000096066005 442013601 /nfs/dbraw/zinc/01/36/01/442013601.db2.gz PHRBGGIPGGHDJD-QRVBRYPASA-N 1 0 346.471 1.719 40 0 EDABRO c1csc(C[NH2+][C@@H]2CN3CCOC[C@@H]3[C@@H]2OCc2ccccn2)c1 ZINC000096068901 442017095 /nfs/dbraw/zinc/01/70/95/442017095.db2.gz JKSLCDSVADZBPM-KZNAEPCWSA-N 1 0 345.468 1.901 40 0 EDABRO Cc1ccc(C(=O)N2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)cn1 ZINC000096084174 442025007 /nfs/dbraw/zinc/02/50/07/442025007.db2.gz ZGSWSEIIEQJNGS-UHFFFAOYSA-N 1 0 339.443 1.918 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(CO[C@H](COCc3cccnc3)C2)CC1 ZINC000096106149 442030679 /nfs/dbraw/zinc/03/06/79/442030679.db2.gz VTOXGYMUHIRIOT-KRWDZBQOSA-N 1 0 347.459 1.558 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(C[C@H](OCC3CCOCC3)CO2)CC1 ZINC000096106700 442031018 /nfs/dbraw/zinc/03/10/18/442031018.db2.gz JVGRRTFJBDVEKX-INIZCTEOSA-N 1 0 340.464 1.141 40 0 EDABRO O=C([C@@H]1CSCN1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156949 442048099 /nfs/dbraw/zinc/04/80/99/442048099.db2.gz UQPXWBDXIVDGDC-ZDUSSCGKSA-N 1 0 337.876 1.970 40 0 EDABRO CC[N@@H+]1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)ncn3)O2)C1 ZINC000096160699 442050806 /nfs/dbraw/zinc/05/08/06/442050806.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 1 0 335.452 1.224 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096160147 442050921 /nfs/dbraw/zinc/05/09/21/442050921.db2.gz NZRAULAUACTWSK-KRWDZBQOSA-N 1 0 345.443 1.918 40 0 EDABRO Cc1cccc(S(=O)(=O)N2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000096185400 442059464 /nfs/dbraw/zinc/05/94/64/442059464.db2.gz VXEMNKWVMXLNCX-BHYGNILZSA-N 1 0 338.473 1.582 40 0 EDABRO CS(=O)(=O)NC[C@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000096187313 442064671 /nfs/dbraw/zinc/06/46/71/442064671.db2.gz GOMOUKKINMGXSZ-MGPQQGTHSA-N 1 0 330.475 1.134 40 0 EDABRO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cccnc1OC)C2 ZINC000096189671 442068098 /nfs/dbraw/zinc/06/80/98/442068098.db2.gz XENZBINMXKNBEL-MRXNPFEDSA-N 1 0 343.427 1.545 40 0 EDABRO Cc1cccc(Cn2c(=O)ccc3c2CC[C@H]([NH2+][C@@H]2CCOC2)C3)n1 ZINC000096196620 442068773 /nfs/dbraw/zinc/06/87/73/442068773.db2.gz RFOROBVGOFLRRO-FUHWJXTLSA-N 1 0 339.439 1.836 40 0 EDABRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21)N1CCCCO1 ZINC000096206595 442080581 /nfs/dbraw/zinc/08/05/81/442080581.db2.gz IDOGBJMUEXVALD-NXHRZFHOSA-N 1 0 345.443 1.863 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)s1)CC[C@@H]2OC ZINC000096217838 442089079 /nfs/dbraw/zinc/08/90/79/442089079.db2.gz OVNTUFPLKBFBAR-ZNMIVQPWSA-N 1 0 338.473 1.864 40 0 EDABRO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3CC(C)C)c(C)o1 ZINC000096230183 442097596 /nfs/dbraw/zinc/09/75/96/442097596.db2.gz QFCAMURMMBYHJR-UHFFFAOYSA-N 1 0 347.459 1.959 40 0 EDABRO Cn1ccnc1CN1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102600 /nfs/dbraw/zinc/10/26/00/442102600.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 1 0 341.459 1.538 40 0 EDABRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000248079202 442880569 /nfs/dbraw/zinc/88/05/69/442880569.db2.gz UWONXTIFJWAIJZ-MJGOQNOKSA-N 1 0 346.475 1.963 40 0 EDABRO C[NH+](C)CC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248107771 442881267 /nfs/dbraw/zinc/88/12/67/442881267.db2.gz JEMGILADTYIJTI-HNNXBMFYSA-N 1 0 342.399 1.761 40 0 EDABRO CCc1cc(C(=O)N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)on1 ZINC000257286404 443131741 /nfs/dbraw/zinc/13/17/41/443131741.db2.gz PLMQIDUJSUBWPY-AWEZNQCLSA-N 1 0 330.388 1.688 40 0 EDABRO Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](CCC(N)=O)CC3)cc1 ZINC000257289866 443133360 /nfs/dbraw/zinc/13/33/60/443133360.db2.gz QANDUSPBQVOJBF-KRWDZBQOSA-N 1 0 331.460 1.930 40 0 EDABRO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C[NH3+])c1 ZINC000257279487 443127984 /nfs/dbraw/zinc/12/79/84/443127984.db2.gz OGWVZKLKROXRRH-HNNXBMFYSA-N 1 0 341.415 1.747 40 0 EDABRO CC(C)[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cscn3)O2)C1 ZINC000306123204 444284714 /nfs/dbraw/zinc/28/47/14/444284714.db2.gz AHFQDTAWPLHKRF-CJNGLKHVSA-N 1 0 339.461 1.531 40 0 EDABRO Fc1cnc(N2Cc3ccnn3C[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000306133616 444286359 /nfs/dbraw/zinc/28/63/59/444286359.db2.gz MQXMHWWZKPLCTO-CQSZACIVSA-N 1 0 330.411 1.935 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1 ZINC000514289943 448160594 /nfs/dbraw/zinc/16/05/94/448160594.db2.gz QOBZIIQGGSJBMD-ZWKOTPCHSA-N 1 0 343.471 1.288 40 0 biogenic,in-vitro EDABRO COCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1)C2 ZINC000585105041 448687684 /nfs/dbraw/zinc/68/76/84/448687684.db2.gz ZGVNERMWIQRYST-LJQANCHMSA-N 1 0 332.444 1.692 40 0 EDABRO O=C1CCCN1CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289247 448734682 /nfs/dbraw/zinc/73/46/82/448734682.db2.gz OURUQUBECCRTHV-YQVWRLOYSA-N 1 0 332.444 1.950 40 0 EDABRO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@@H]2CCCO[C@H]12)c1ccncc1 ZINC000097953486 219063552 /nfs/dbraw/zinc/06/35/52/219063552.db2.gz XPSMJRPFAXWNDY-JQHSSLGASA-N 1 0 345.443 1.470 40 0 EDABRO CNc1cc(C)nc([C@H]2COCCN2C(=O)C[NH+]2CCCCC2)n1 ZINC000257268639 290838635 /nfs/dbraw/zinc/83/86/35/290838635.db2.gz MMNXJSUMYYRROP-CQSZACIVSA-N 1 0 333.436 1.213 40 0 EDABRO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335611 216157732 /nfs/dbraw/zinc/15/77/32/216157732.db2.gz JBEDGBCEBIPOIS-KGLIPLIRSA-N 1 0 332.448 1.401 40 0 EDABRO COc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)C[NH3+])C2)n1 ZINC000072363204 216169888 /nfs/dbraw/zinc/16/98/88/216169888.db2.gz RCTLZSHCEFVSTF-CYBMUJFWSA-N 1 0 342.399 1.942 40 0 EDABRO CN(C)C(=O)c1c[nH]nc1C1(C)CC[NH+](Cc2cncn2C)CC1 ZINC000072388883 216188965 /nfs/dbraw/zinc/18/89/65/216188965.db2.gz DHAFVJXHTZCJDY-UHFFFAOYSA-N 1 0 330.436 1.399 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)[nH+]1 ZINC000257217250 244171884 /nfs/dbraw/zinc/17/18/84/244171884.db2.gz CYFCSCYKPAXOKA-HNNXBMFYSA-N 1 0 334.401 1.129 40 0 EDABRO Cc1ncccc1C(=O)N1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257217335 244171194 /nfs/dbraw/zinc/17/11/94/244171194.db2.gz CYNDDBOEHIXPSK-OAHLLOKOSA-N 1 0 326.400 1.841 40 0 EDABRO CCOc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@@H](C(=O)NC)C1 ZINC000257241758 244245085 /nfs/dbraw/zinc/24/50/85/244245085.db2.gz HZMOJUXWFFSQJP-INIZCTEOSA-N 1 0 333.432 1.112 40 0 EDABRO CN(C)C(=O)C[NH+]1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257250390 244269137 /nfs/dbraw/zinc/26/91/37/244269137.db2.gz JMIPCHZACVUXIQ-UHFFFAOYSA-N 1 0 340.431 1.883 40 0 EDABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000019365220 212021651 /nfs/dbraw/zinc/02/16/51/212021651.db2.gz SCTMYCTYQRVYRZ-KRWDZBQOSA-N 1 0 333.451 2.000 40 0 EDABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C(CO)(CO)CO)cc1 ZINC000006484435 210639428 /nfs/dbraw/zinc/63/94/28/210639428.db2.gz FKLFRARLPIXFRO-GOSISDBHSA-N 1 0 331.412 1.284 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(Cc1ccccc1)CC[C@H]2OCC(=O)N(C)C ZINC000096217107 276254068 /nfs/dbraw/zinc/25/40/68/276254068.db2.gz QCMHDZGHBHJCDK-IPMKNSEASA-N 1 0 345.487 1.686 40 0 EDABRO COc1ccc2c3c1O[C@H]1[C@@]34CC[N@H+](C)[C@@H](C2)[C@H]4C[C@H](O)[C@@]1(C)O ZINC000004972556 295278578 /nfs/dbraw/zinc/27/85/78/295278578.db2.gz FDQOEXDFLWOOAL-AZOJCORTSA-N 1 0 331.412 1.086 40 0 EDABRO COc1ccc(CC2=c3cc(OC)c(OC)cc3=CCN2)cc1OC ZINC000001657265 440850597 /nfs/dbraw/zinc/85/05/97/440850597.db2.gz IKZYPGQHZBTYBP-UHFFFAOYSA-N 1 0 341.407 1.456 40 0 EDABRO Cn1c2ccccc2n(CC(=O)N2CC[C@@H]3[C@H]2CCCC[N@@H+]3C)c1=O ZINC000019712579 441259919 /nfs/dbraw/zinc/25/99/19/441259919.db2.gz ALTSKSXFFQZEJE-GDBMZVCRSA-N 1 0 342.443 1.425 40 0 EDABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)n1 ZINC000107785669 441429580 /nfs/dbraw/zinc/42/95/80/441429580.db2.gz MPAIKZFJXHNNOV-AEFFLSMTSA-N 1 0 326.400 1.992 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)cc1 ZINC000107198499 441404209 /nfs/dbraw/zinc/40/42/09/441404209.db2.gz NVFXCMGGWJWPLU-RBUKOAKNSA-N 1 0 343.471 1.502 40 0 EDABRO O=C([C@@H]1C[C@@]2(CO1)CCC[N@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000107230350 441404363 /nfs/dbraw/zinc/40/43/63/441404363.db2.gz YVGUXBPMVKINTN-HKUYNNGSSA-N 1 0 345.443 1.312 40 0 EDABRO c1csc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cnnc4)CO3)C2)c1 ZINC000107243795 441404510 /nfs/dbraw/zinc/40/45/10/441404510.db2.gz TWSUUXRJZJOGMH-GOEBONIOSA-N 1 0 334.445 1.647 40 0 EDABRO O=S(=O)(NC1CC2(C1)CC[NH+](Cc1ccncc1)CC2)C1CC1 ZINC000108526999 441458860 /nfs/dbraw/zinc/45/88/60/441458860.db2.gz QRYZXQAVSVWGRM-UHFFFAOYSA-N 1 0 335.473 1.908 40 0 EDABRO CS(=O)(=O)N[C@H]1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108527977 441460908 /nfs/dbraw/zinc/46/09/08/441460908.db2.gz URFOBTOMRFCLKW-HNNXBMFYSA-N 1 0 339.461 1.144 40 0 EDABRO Cc1nn([C@H](C)CC(=O)NCC2([NH+](C)C)CCN(C)CC2)c(C)c1C ZINC000036740680 441609791 /nfs/dbraw/zinc/60/97/91/441609791.db2.gz NVSJBYFIBPFGLE-CQSZACIVSA-N 1 0 349.523 1.902 40 0 EDABRO O=C([C@H]1C[N@H+](Cc2ccccn2)CC12CCOCC2)N1CCOCC1 ZINC000096052221 442002192 /nfs/dbraw/zinc/00/21/92/442002192.db2.gz WWJGWNDGNXWYMA-QGZVFWFLSA-N 1 0 345.443 1.169 40 0 EDABRO CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047818 441995566 /nfs/dbraw/zinc/99/55/66/441995566.db2.gz LZPQPBZJWLNIPD-OAHLLOKOSA-N 1 0 338.473 1.976 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000096048616 441996338 /nfs/dbraw/zinc/99/63/38/441996338.db2.gz MZYQXZZHSHZZBV-IBGZPJMESA-N 1 0 339.443 1.830 40 0 EDABRO c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cncnc2)C3)nc1 ZINC000096049537 441997514 /nfs/dbraw/zinc/99/75/14/441997514.db2.gz DWCWWXDARKJUSN-LJQANCHMSA-N 1 0 339.443 1.991 40 0 EDABRO c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)nc1 ZINC000096049640 441997866 /nfs/dbraw/zinc/99/78/66/441997866.db2.gz RYGMTSDAGPYEOW-IBGZPJMESA-N 1 0 339.443 1.991 40 0 EDABRO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1)N1CCOCC1 ZINC000096057495 442005266 /nfs/dbraw/zinc/00/52/66/442005266.db2.gz NMDVGQFQPMMHDI-KZNAEPCWSA-N 1 0 348.418 1.806 40 0 EDABRO O=C(N1CCCC1)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062347 442009281 /nfs/dbraw/zinc/00/92/81/442009281.db2.gz SOHZMHZMLUBRGI-GOSISDBHSA-N 1 0 337.464 1.406 40 0 EDABRO c1ccc(OCc2nnc3n2CC[N@@H+](Cc2cccnc2)CC3)nc1 ZINC000096058882 442007270 /nfs/dbraw/zinc/00/72/70/442007270.db2.gz ZDUJXIQTVNXSPU-UHFFFAOYSA-N 1 0 336.399 1.705 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1ccc(F)cc1)C2 ZINC000096060669 442007802 /nfs/dbraw/zinc/00/78/02/442007802.db2.gz QNPLLTSNVHCAQD-HNNXBMFYSA-N 1 0 347.438 1.632 40 0 EDABRO O=C([C@H]1CO[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C1)N1CCCCO1 ZINC000096066058 442013705 /nfs/dbraw/zinc/01/37/05/442013705.db2.gz KQFIZUAMBGSOPN-NUJGCVRESA-N 1 0 345.443 1.863 40 0 EDABRO O=C(NCc1cccnc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000096063954 442011000 /nfs/dbraw/zinc/01/10/00/442011000.db2.gz BRLOLKOPRKAFHH-ZWKOTPCHSA-N 1 0 344.459 1.866 40 0 EDABRO c1cnc(NCc2cncc3c2CC[N@H+](C[C@@H]2CCOC2)C3)nc1 ZINC000096067445 442015655 /nfs/dbraw/zinc/01/56/55/442015655.db2.gz KAEWLTBXFFLALA-AWEZNQCLSA-N 1 0 325.416 1.878 40 0 EDABRO O=C1[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]2OCCN1Cc1ccncc1 ZINC000096107108 442030106 /nfs/dbraw/zinc/03/01/06/442030106.db2.gz KNVKCOUBJRCBON-MSOLQXFVSA-N 1 0 329.444 1.931 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2)c1cscn1 ZINC000096108493 442033665 /nfs/dbraw/zinc/03/36/65/442033665.db2.gz DPZLUEZHCQHZRL-DYVFJYSZSA-N 1 0 344.440 1.417 40 0 EDABRO CN(C)C(=O)C[C@H]1C[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O1 ZINC000096219668 442090237 /nfs/dbraw/zinc/09/02/37/442090237.db2.gz XAQWNHDCXXGIDE-RCCFBDPRSA-N 1 0 332.444 1.771 40 0 EDABRO O=C(C[C@H]1C[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2O1)NC1CC1 ZINC000096219304 442090724 /nfs/dbraw/zinc/09/07/24/442090724.db2.gz BZVYMXSHPIQAGB-QXAKKESOSA-N 1 0 344.455 1.961 40 0 EDABRO O=C1NC[C@H](COc2cccnc2)[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000096219198 442090940 /nfs/dbraw/zinc/09/09/40/442090940.db2.gz TXUFNOPADISDAF-DNVCBOLYSA-N 1 0 338.411 1.494 40 0 EDABRO CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3nccn3C)CC[C@@H]21 ZINC000096185636 442059827 /nfs/dbraw/zinc/05/98/27/442059827.db2.gz DFAAWCBEHLSNLN-IKGGRYGDSA-N 1 0 343.479 1.385 40 0 EDABRO Cc1occc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC000096185614 442060044 /nfs/dbraw/zinc/06/00/44/442060044.db2.gz KMLKUZMZMCUDLB-YCPHGPKFSA-N 1 0 329.404 1.415 40 0 EDABRO O=C(c1cccnc1)N1C[C@H](OCC[NH+]2CCCC2)[C@H]2OCCC[C@H]21 ZINC000096187079 442064662 /nfs/dbraw/zinc/06/46/62/442064662.db2.gz ZIJJNFXYLSLTMO-SQNIBIBYSA-N 1 0 345.443 1.566 40 0 EDABRO Cn1ccnc1CN1CC[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096202073 442077655 /nfs/dbraw/zinc/07/76/55/442077655.db2.gz JCSHTVOMUKFDLO-LJQANCHMSA-N 1 0 341.459 1.540 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](CCOCc1ccccc1)C2)C1CC1 ZINC000096206072 442079281 /nfs/dbraw/zinc/07/92/81/442079281.db2.gz WJJPEFCBDORMRH-QUCCMNQESA-N 1 0 344.455 1.678 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCCC[C@]12CCN(C(=O)c1ccccc1)C2 ZINC000096203133 442079606 /nfs/dbraw/zinc/07/96/06/442079606.db2.gz IVUCKNKLUUDDGL-LJQANCHMSA-N 1 0 329.444 1.845 40 0 EDABRO CO[C@H]1CCN(C(=O)N2CCCC2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096208782 442084334 /nfs/dbraw/zinc/08/43/34/442084334.db2.gz IONWGHRYYKFPNW-KSZLIROESA-N 1 0 344.459 1.819 40 0 EDABRO COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228782 442096416 /nfs/dbraw/zinc/09/64/16/442096416.db2.gz PCDDAXDHBXILIP-QGZVFWFLSA-N 1 0 338.473 1.949 40 0 EDABRO CC(C)C[N@@H+]1CCNC(=O)C12CCN(C(=O)c1cscn1)CC2 ZINC000096230177 442097402 /nfs/dbraw/zinc/09/74/02/442097402.db2.gz IGUQDJAEAPFONE-UHFFFAOYSA-N 1 0 336.461 1.206 40 0 EDABRO Cc1nc(CN2CCO[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)cs1 ZINC000096248780 442102243 /nfs/dbraw/zinc/10/22/43/442102243.db2.gz CHHFCGNQTZQEEO-SJORKVTESA-N 1 0 337.489 1.763 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12)c1ccco1 ZINC000247354419 442849108 /nfs/dbraw/zinc/84/91/08/442849108.db2.gz CURHNVATVLADGO-BFYDXBDKSA-N 1 0 327.384 1.551 40 0 EDABRO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n(C)n1 ZINC000248032222 442878396 /nfs/dbraw/zinc/87/83/96/442878396.db2.gz LMRJMZOFPWVJCU-DJIMGWMZSA-N 1 0 327.432 1.682 40 0 EDABRO O=C(Cc1cccc(O)c1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257322508 443147342 /nfs/dbraw/zinc/14/73/42/443147342.db2.gz WGGCQPUXHMXHOA-LJQANCHMSA-N 1 0 348.443 1.011 40 0 EDABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[NH2+]C2)n1 ZINC000257278741 443126969 /nfs/dbraw/zinc/12/69/69/443126969.db2.gz ODLSEVURQVJQOW-AWEZNQCLSA-N 1 0 342.447 1.400 40 0 EDABRO O=C(COc1cccc(F)c1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257343441 443155617 /nfs/dbraw/zinc/15/56/17/443155617.db2.gz ZTBMUMKGHUUTCA-JFIYKMOQSA-N 1 0 336.407 1.699 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306131703 444286057 /nfs/dbraw/zinc/28/60/57/444286057.db2.gz KNHVCEJYACAJCD-HOTGVXAUSA-N 1 0 339.443 1.721 40 0 EDABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NCCO)[nH+]1 ZINC000329067965 444463808 /nfs/dbraw/zinc/46/38/08/444463808.db2.gz YLASSIWPWDPRIY-UHFFFAOYSA-N 1 0 328.416 2.015 40 0 EDABRO O=C(c1ccccc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585103124 448686075 /nfs/dbraw/zinc/68/60/75/448686075.db2.gz DJOFRACYYHXCQL-QZTJIDSGSA-N 1 0 344.455 1.765 40 0 EDABRO Cc1ccccc1OC[C@]1(O)COCCN(C2CC[NH+](C)CC2)C1 ZINC000585275372 448719666 /nfs/dbraw/zinc/71/96/66/448719666.db2.gz DGFSNRGEIFNYLC-LJQANCHMSA-N 1 0 334.460 1.531 40 0 EDABRO OCC[NH+](CCO)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289295 448735009 /nfs/dbraw/zinc/73/50/09/448735009.db2.gz HQRDRNYHLBUFAR-ARFHVFGLSA-N 1 0 329.824 1.287 40 0 EDABRO CCOCc1cc(C[N@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)ccc1OC ZINC000585292122 448736072 /nfs/dbraw/zinc/73/60/72/448736072.db2.gz YJWCFZRYVHXIOQ-NUJGCVRESA-N 1 0 339.432 1.032 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)Cc2coc3cc(C)ccc23)CC[N@H+](C)C1 ZINC000257218183 536398663 /nfs/dbraw/zinc/39/86/63/536398663.db2.gz DCEDPNZLBDDNQM-HNNXBMFYSA-N 1 0 343.427 1.420 40 0 EDABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008298015 565091522 /nfs/dbraw/zinc/09/15/22/565091522.db2.gz HNKTZCQBYMTUSW-ZNMIVQPWSA-N 1 0 349.479 1.049 40 0 biogenic,in-vitro EDABRO C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)cc1 ZINC000096041488 282109275 /nfs/dbraw/zinc/10/92/75/282109275.db2.gz APFLKPZFZMSYCO-GVDBMIGSSA-N 1 0 336.407 1.776 40 0 EDABRO Cc1nc(CCC(=O)NCc2ccncc2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072366931 216173284 /nfs/dbraw/zinc/17/32/84/216173284.db2.gz XWHYKFBPODQRIC-MRXNPFEDSA-N 1 0 325.416 1.854 40 0 EDABRO [NH3+][C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12 ZINC000008296677 283638523 /nfs/dbraw/zinc/63/85/23/283638523.db2.gz MOHUJESLEQTSCL-HOCLYGCPSA-N 1 0 325.343 1.987 40 0 biogenic,in-vitro EDABRO Cc1cccc(O[C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)c1C ZINC000022517621 212302875 /nfs/dbraw/zinc/30/28/75/212302875.db2.gz XLOUDDWXIRZBMK-QGZVFWFLSA-N 1 0 333.476 1.824 40 0 EDABRO N[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058706 241293698 /nfs/dbraw/zinc/29/36/98/241293698.db2.gz PUTKWDGOBAMMIB-PMPSAXMXSA-N 1 0 336.844 1.936 40 0 EDABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218146081 241301956 /nfs/dbraw/zinc/30/19/56/241301956.db2.gz RGFUOFHQFTZYBK-PMPSAXMXSA-N 1 0 341.429 1.297 40 0 EDABRO c1cncc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595551 244028248 /nfs/dbraw/zinc/02/82/48/244028248.db2.gz FZTUUTIRZIHIFQ-OALUTQOASA-N 1 0 331.460 1.927 40 0 EDABRO c1cncc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253595552 244028834 /nfs/dbraw/zinc/02/88/34/244028834.db2.gz FZTUUTIRZIHIFQ-RBUKOAKNSA-N 1 0 331.460 1.927 40 0 EDABRO Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)[nH+]1 ZINC000257222094 244187825 /nfs/dbraw/zinc/18/78/25/244187825.db2.gz DRWBLHCOVBFLHI-INIZCTEOSA-N 1 0 339.399 1.853 40 0 EDABRO Cc1ccn(CCC(=O)NCc2nccnc2C2CC[NH+](C)CC2)n1 ZINC000257225543 244196913 /nfs/dbraw/zinc/19/69/13/244196913.db2.gz FGRJAIMPOLTFKA-UHFFFAOYSA-N 1 0 342.447 1.497 40 0 EDABRO CCn1nc(C2CC2)cc1C(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257235001 244225892 /nfs/dbraw/zinc/22/58/92/244225892.db2.gz GVYRWCZJCNTASV-SFHVURJKSA-N 1 0 332.448 1.453 40 0 EDABRO CN(C)C(=O)[C@]1(CCCc2ccccn2)CCC[N@H+](CC(N)=O)C1 ZINC000257251122 244267494 /nfs/dbraw/zinc/26/74/94/244267494.db2.gz JPMAATBOSDPZRH-GOSISDBHSA-N 1 0 332.448 1.060 40 0 EDABRO Cc1nn(CC(C)C)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000019584263 212047387 /nfs/dbraw/zinc/04/73/87/212047387.db2.gz SLRRUCTXKPENRR-CYBMUJFWSA-N 1 0 328.482 1.610 40 0 EDABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)[C@H]1CC=CCC1 ZINC000019346726 212019451 /nfs/dbraw/zinc/01/94/51/212019451.db2.gz RABADMAGKBJXIN-GJZGRUSLSA-N 1 0 339.443 1.981 40 0 EDABRO C[C@H]([NH3+])C(=O)N1CCC[C@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412788 217222106 /nfs/dbraw/zinc/22/21/06/217222106.db2.gz OMNWNOIDDVJALA-GOEBONIOSA-N 1 0 333.432 1.841 40 0 EDABRO O=C(N1CCCC1)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000012366011 211357911 /nfs/dbraw/zinc/35/79/11/211357911.db2.gz NGSVPKRRRKJYQU-KDOFPFPSSA-N 1 0 333.432 1.713 40 0 EDABRO Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000012366132 211357331 /nfs/dbraw/zinc/35/73/31/211357331.db2.gz VUTSEZXJRNHHCY-CQSZACIVSA-N 1 0 330.388 1.272 40 0 EDABRO C[C@@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012221170 211324426 /nfs/dbraw/zinc/32/44/26/211324426.db2.gz JNJHGBCNQQJILI-GNOXNVMVSA-N 1 0 346.475 1.636 40 0 EDABRO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccccc1C ZINC000010339410 211167297 /nfs/dbraw/zinc/16/72/97/211167297.db2.gz QBSQLDIJHHESLE-LSDHHAIUSA-N 1 0 345.399 1.033 40 0 EDABRO Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCC[NH+](C)C ZINC000096147568 218625318 /nfs/dbraw/zinc/62/53/18/218625318.db2.gz MNXDLYRMHMBVPN-UHFFFAOYSA-N 1 0 342.447 1.374 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218206850 276392526 /nfs/dbraw/zinc/39/25/26/276392526.db2.gz PLZZNICIVUHIIE-UTUOFQBUSA-N 1 0 334.235 1.039 40 0 EDABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 ZINC000019752319 277055008 /nfs/dbraw/zinc/05/50/08/277055008.db2.gz HMBKYHWRTOEBEZ-OAHLLOKOSA-N 1 0 325.416 1.743 40 0 EDABRO C[C@]1(C2CC[NH+](CC(N)=O)CC2)CN(Cc2ccccc2)C(=O)CO1 ZINC000257218632 280152963 /nfs/dbraw/zinc/15/29/63/280152963.db2.gz DDWLBFFGTBMINM-LJQANCHMSA-N 1 0 345.443 1.001 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 ZINC000096039563 289170865 /nfs/dbraw/zinc/17/08/65/289170865.db2.gz IUALFUOKFZVZTC-PKOBYXMFSA-N 1 0 347.459 1.671 40 0 EDABRO COc1ncccc1C(=O)N1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257279020 295462273 /nfs/dbraw/zinc/46/22/73/295462273.db2.gz OEQRKJPUZAKKAY-HNNXBMFYSA-N 1 0 341.415 1.919 40 0 EDABRO Nc1ccc2c(c1)[C@]13CC[N@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000002491674 440863918 /nfs/dbraw/zinc/86/39/18/440863918.db2.gz NRGHCWQGTHPFTE-KGSDWGHESA-N 1 0 349.434 1.675 40 0 EDABRO CC(C)[NH+]1CCC(CNC(=O)c2cnc(N3CCOCC3)nc2)CC1 ZINC000012196060 441129213 /nfs/dbraw/zinc/12/92/13/441129213.db2.gz APKYFBLHJFDXPQ-UHFFFAOYSA-N 1 0 347.463 1.163 40 0 EDABRO Cc1nn([C@@H](C)CC(=O)NCC2([NH+](C)C)CCN(C)CC2)c(C)c1C ZINC000036740679 441609665 /nfs/dbraw/zinc/60/96/65/441609665.db2.gz NVSJBYFIBPFGLE-AWEZNQCLSA-N 1 0 349.523 1.902 40 0 EDABRO COCC[N@@H+]1CC[C@H]2C[C@@H](C(=O)N(C)Cc3ccccn3)O[C@@H]2C1 ZINC000096043037 441991582 /nfs/dbraw/zinc/99/15/82/441991582.db2.gz UIVFWZMTUXPXFS-BHYGNILZSA-N 1 0 333.432 1.166 40 0 EDABRO c1c2c(nn1CC1CCOCC1)[C@H](C[NH2+]C1CCOCC1)OCC2 ZINC000096044430 441992192 /nfs/dbraw/zinc/99/21/92/441992192.db2.gz BNVHLUYYJIZLAU-KRWDZBQOSA-N 1 0 335.448 1.692 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039545 441985365 /nfs/dbraw/zinc/98/53/65/441985365.db2.gz VUDCCYSVOXEDQX-IEBWSBKVSA-N 1 0 347.459 1.671 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000096040837 441987197 /nfs/dbraw/zinc/98/71/97/441987197.db2.gz NCJIUOOEWYDYEG-ZACQAIPSSA-N 1 0 332.448 1.127 40 0 EDABRO CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccs3)O2)CC1 ZINC000096057341 442005278 /nfs/dbraw/zinc/00/52/78/442005278.db2.gz UBJAPOAZKAPHIY-ZACQAIPSSA-N 1 0 349.500 1.644 40 0 EDABRO Cc1ccc(C(=O)N2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)o1 ZINC000096056266 442003600 /nfs/dbraw/zinc/00/36/00/442003600.db2.gz XQCLYWXBXNKPNZ-XYJFISCASA-N 1 0 347.459 1.313 40 0 EDABRO c1ncc2c(c1COCC[NH+]1CCCC1)CCN([C@@H]1CCOC1)C2 ZINC000096067364 442016123 /nfs/dbraw/zinc/01/61/23/442016123.db2.gz XRQPFDRAMBNFNF-GOSISDBHSA-N 1 0 331.460 1.841 40 0 EDABRO O=C(NCc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2)c1ccno1 ZINC000096067437 442016175 /nfs/dbraw/zinc/01/61/75/442016175.db2.gz XBFGJAADNAJSFG-CYBMUJFWSA-N 1 0 342.399 1.394 40 0 EDABRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CC[NH+](Cc1ccoc1)CC2 ZINC000096070266 442017736 /nfs/dbraw/zinc/01/77/36/442017736.db2.gz AOEIGPLBILGUBZ-CQSZACIVSA-N 1 0 344.415 1.800 40 0 EDABRO O=C(c1cocn1)N1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108233 442032122 /nfs/dbraw/zinc/03/21/22/442032122.db2.gz ZCGXUFGGAODIFO-DZGCQCFKSA-N 1 0 333.413 1.709 40 0 EDABRO O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2)N1CCCC1 ZINC000096108309 442032643 /nfs/dbraw/zinc/03/26/43/442032643.db2.gz HUKRVECJWAEMAH-AEFFLSMTSA-N 1 0 330.432 1.335 40 0 EDABRO O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158070 442048498 /nfs/dbraw/zinc/04/84/98/442048498.db2.gz UIVVIMRXKUMEGD-APWZRJJASA-N 1 0 329.444 1.933 40 0 EDABRO Cn1cccc1C[NH+]1CCC2(CC1)CN(c1ncccn1)CCO2 ZINC000096159016 442049117 /nfs/dbraw/zinc/04/91/17/442049117.db2.gz PVATXRLRBAJRMD-UHFFFAOYSA-N 1 0 327.432 1.687 40 0 EDABRO Cn1ccnc1CN1CC[N@@H+]2C[C@H](OCc3ccccc3)C[C@H]2C1 ZINC000096183426 442055685 /nfs/dbraw/zinc/05/56/85/442055685.db2.gz ATLXGAVPVVHQNV-ZWKOTPCHSA-N 1 0 326.444 1.895 40 0 EDABRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 ZINC000096184316 442057404 /nfs/dbraw/zinc/05/74/04/442057404.db2.gz BRMNAQXVWFWGNT-STQMWFEESA-N 1 0 329.491 1.147 40 0 EDABRO Cn1cc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)cn1 ZINC000096196610 442069089 /nfs/dbraw/zinc/06/90/89/442069089.db2.gz UPGSMWTZULJLFM-GOSISDBHSA-N 1 0 349.438 1.672 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCO3)C2)cn1 ZINC000096206599 442080750 /nfs/dbraw/zinc/08/07/50/442080750.db2.gz XNQGXBOPWSQSLE-ZACQAIPSSA-N 1 0 348.447 1.201 40 0 EDABRO O=C1NC[C@H](COc2cccnc2)[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096215176 442085988 /nfs/dbraw/zinc/08/59/88/442085988.db2.gz UTDOVSBZOUIQTP-VQIMIIECSA-N 1 0 338.411 1.494 40 0 EDABRO Cc1nnc(C[C@]23COC[C@H]2C[N@H+](Cc2ccc4c(c2)OCO4)C3)o1 ZINC000096216209 442087404 /nfs/dbraw/zinc/08/74/04/442087404.db2.gz PYVCMSNNFPCINC-KDOFPFPSSA-N 1 0 343.383 1.798 40 0 EDABRO Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccccc4)C3)N(C)CC2=O)cn1 ZINC000096230535 442097370 /nfs/dbraw/zinc/09/73/70/442097370.db2.gz DHQJASZGVXDVEK-IBGZPJMESA-N 1 0 339.443 1.343 40 0 EDABRO C(OC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2[C@H]2CCOC2)O1)C1CCOCC1 ZINC000247826302 442869560 /nfs/dbraw/zinc/86/95/60/442869560.db2.gz FZOQGJXJYUWEGL-XSLAGTTESA-N 1 0 325.449 1.840 40 0 EDABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(c1nnc(C)s1)CC2 ZINC000247994901 442876559 /nfs/dbraw/zinc/87/65/59/442876559.db2.gz CNZMCJRDKGSZGE-AWEZNQCLSA-N 1 0 340.493 1.658 40 0 EDABRO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[NH2+]C2 ZINC000257289693 443133928 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OC1(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCC1 ZINC000585288079 485898235 /nfs/dbraw/zinc/89/82/35/485898235.db2.gz VMDRUNSOMLVCQF-GOSISDBHSA-N 1 0 339.407 1.573 40 0 EDABRO CCCn1cc(C[N@@H+]2CC[C@@H](c3nc(CNC(C)=O)c[nH]3)C2)cn1 ZINC000257241491 535610369 /nfs/dbraw/zinc/61/03/69/535610369.db2.gz HYFOZZPQRPYJIL-OAHLLOKOSA-N 1 0 330.436 1.642 40 0 EDABRO CNC(=O)[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)CC[N@H+](C)C1 ZINC000257273499 536398416 /nfs/dbraw/zinc/39/84/16/536398416.db2.gz NGVOEPFKRHCTHV-KRWDZBQOSA-N 1 0 339.443 1.253 40 0 EDABRO COc1c2c(cc3c1C[N@H+]1C[C@H](O)[C@@]34C=C[C@@H](OC)C[C@H]14)OCO2 ZINC000008674099 563634942 /nfs/dbraw/zinc/63/49/42/563634942.db2.gz QAHZAHIPKNLGAS-RXUCDUSASA-N 1 0 331.368 1.195 40 0 EDABRO CNC(=O)[C@]1(CC2CCN(C(=O)OC(C)(C)C)CC2)CCC[NH2+]1 ZINC000257199634 290623020 /nfs/dbraw/zinc/62/30/20/290623020.db2.gz AAFBACSFBAOOGK-QGZVFWFLSA-N 1 0 325.453 1.892 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000096239194 282384547 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40 0 EDABRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)cc1 ZINC000257241626 244245566 /nfs/dbraw/zinc/24/55/66/244245566.db2.gz HYUVNRVYXQJREH-MRXNPFEDSA-N 1 0 347.459 1.093 40 0 EDABRO [NH3+]CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257294087 244442562 /nfs/dbraw/zinc/44/25/62/244442562.db2.gz QSJFJWYWUBNXLP-WMLDXEAASA-N 1 0 337.370 1.278 40 0 EDABRO CC1CC[NH+](CC(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000019747857 212061218 /nfs/dbraw/zinc/06/12/18/212061218.db2.gz RPCDSPIATDERCI-INIZCTEOSA-N 1 0 337.464 1.005 40 0 EDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575264 212045878 /nfs/dbraw/zinc/04/58/78/212045878.db2.gz MVIJQFAVAILYQB-MGPQQGTHSA-N 1 0 346.456 1.860 40 0 EDABRO CCN(C[C@H]1CCCCN1C(=O)C[NH3+])C(=O)OCc1ccccc1 ZINC000079412428 217222501 /nfs/dbraw/zinc/22/25/01/217222501.db2.gz FDNKMRDHGLKBTP-MRXNPFEDSA-N 1 0 333.432 1.985 40 0 EDABRO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000081277151 217378028 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1.671 40 0 EDABRO Cc1ccc(Nc2ncnc3nc[nH]c32)cc1C[NH+](CCO)CCO ZINC000001700822 440852462 /nfs/dbraw/zinc/85/24/62/440852462.db2.gz YOEWRHQJDRKHFN-UHFFFAOYSA-N 1 0 342.403 1.192 40 0 EDABRO C[C@@H]1C[N@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@@H]1O ZINC000012188243 441128514 /nfs/dbraw/zinc/12/85/14/441128514.db2.gz CVZZLBCUNSFKJF-QAPCUYQASA-N 1 0 332.444 1.891 40 0 EDABRO CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2[N@@H+]1C(C)C ZINC000107197080 441403162 /nfs/dbraw/zinc/40/31/62/441403162.db2.gz HMMIBCLPKAILRH-ZACQAIPSSA-N 1 0 329.444 1.664 40 0 EDABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cnnc4)CO3)C2)s1 ZINC000107243792 441404388 /nfs/dbraw/zinc/40/43/88/441404388.db2.gz BMIJFISDHZKRHU-RDJZCZTQSA-N 1 0 348.472 1.956 40 0 EDABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3cncn3C)CC2)C1 ZINC000108526796 441459676 /nfs/dbraw/zinc/45/96/76/441459676.db2.gz KFVXJWHABVBIFA-CQSZACIVSA-N 1 0 335.452 1.205 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108525882 441459711 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C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575266 212045691 /nfs/dbraw/zinc/04/56/91/212045691.db2.gz MVIJQFAVAILYQB-HZSPNIEDSA-N 1 0 346.456 1.860 40 0 EDABRO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](CC)CC1 ZINC000019502126 212035225 /nfs/dbraw/zinc/03/52/25/212035225.db2.gz VQMITMDPZCWEEE-HOTGVXAUSA-N 1 0 336.484 1.721 40 0 EDABRO O=C(C1CC[NH2+]CC1)N1CCC(O)(Cn2ccc3ccncc32)CC1 ZINC000019404713 212025877 /nfs/dbraw/zinc/02/58/77/212025877.db2.gz DMHHVZSBKGOHOM-UHFFFAOYSA-N 1 0 342.443 1.389 40 0 EDABRO C[C@H]([NH3+])C(=O)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393198 217219209 /nfs/dbraw/zinc/21/92/09/217219209.db2.gz YIFNTHKOAWQHBC-GOEBONIOSA-N 1 0 345.443 1.983 40 0 EDABRO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000009063591 211037347 /nfs/dbraw/zinc/03/73/47/211037347.db2.gz YIIUSLDFGQUOCA-UHFFFAOYSA-N 1 0 347.434 1.762 40 0 EDABRO CCOc1ccc2c(c1)nc1n(c2=O)N(CCC[NH+](C)C)C(=O)CC1 ZINC000005466683 210469609 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CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000012199440 441129266 /nfs/dbraw/zinc/12/92/66/441129266.db2.gz RMIWHEDFEXMGLS-HNNXBMFYSA-N 1 0 347.463 1.163 40 0 EDABRO COc1ccc(Cn2cc(C(=O)NCC[NH+]3CCCCC3)nn2)cc1 ZINC000072341637 441229950 /nfs/dbraw/zinc/22/99/50/441229950.db2.gz WZSUOUWBUNPXHU-UHFFFAOYSA-N 1 0 343.431 1.551 40 0 EDABRO CC(=O)NC1(c2ccccc2)CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000019656927 441258941 /nfs/dbraw/zinc/25/89/41/441258941.db2.gz SOURQTQRIBZYTF-UHFFFAOYSA-N 1 0 325.416 1.999 40 0 EDABRO O[C@@H]1C[C@@](C[NH2+]Cc2nccs2)(COc2cccnc2)C[C@@H]1O ZINC000107430342 441416770 /nfs/dbraw/zinc/41/67/70/441416770.db2.gz JOTAYOHYNJDTIE-MIFYACCESA-N 1 0 335.429 1.209 40 0 biogenic,in-vitro EDABRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000107710333 441426545 /nfs/dbraw/zinc/42/65/45/441426545.db2.gz ZNICAYWMDFRXMC-NVXWUHKLSA-N 1 0 338.835 1.946 40 0 EDABRO c1csc(CN2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107738777 441428651 /nfs/dbraw/zinc/42/86/51/441428651.db2.gz FXBZZXVUKMYBTK-RDJZCZTQSA-N 1 0 337.489 1.846 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)o1 ZINC000108526113 441459643 /nfs/dbraw/zinc/45/96/43/441459643.db2.gz UUADHUHXSDFCBS-CQSZACIVSA-N 1 0 342.461 1.651 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000108530925 441460187 /nfs/dbraw/zinc/46/01/87/441460187.db2.gz NUFJAVPSRDKKEY-SJLPKXTDSA-N 1 0 332.448 1.271 40 0 EDABRO COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000038307862 441614998 /nfs/dbraw/zinc/61/49/98/441614998.db2.gz CPBHSHYQQLFAPW-QZTJIDSGSA-N 1 0 339.407 1.523 40 0 EDABRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1Br ZINC000042645752 441763098 /nfs/dbraw/zinc/76/30/98/441763098.db2.gz DEBMKYYCGLAJLR-UHFFFAOYSA-N 1 0 328.210 1.456 40 0 EDABRO CN(C)C(=O)CN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096046845 441994927 /nfs/dbraw/zinc/99/49/27/441994927.db2.gz GSPYEOLGUXWRKM-UHFFFAOYSA-N 1 0 335.473 1.651 40 0 EDABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)o1 ZINC000096050349 441999833 /nfs/dbraw/zinc/99/98/33/441999833.db2.gz GRZQHWMPWBDEHH-GOSISDBHSA-N 1 0 343.431 1.245 40 0 EDABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2nccs2)CC12CCOCC2 ZINC000096052129 442000957 /nfs/dbraw/zinc/00/09/57/442000957.db2.gz KCEYDQYZJDPUOT-CQSZACIVSA-N 1 0 335.473 1.898 40 0 EDABRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)cc1 ZINC000096040802 441987356 /nfs/dbraw/zinc/98/73/56/441987356.db2.gz CINVPWGGARQOIZ-NXHRZFHOSA-N 1 0 346.427 1.554 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000096040761 441987377 /nfs/dbraw/zinc/98/73/77/441987377.db2.gz NNBDODQNGNAYNY-ZACQAIPSSA-N 1 0 338.411 1.810 40 0 EDABRO O=c1ccc2c(n1Cc1ccncc1)CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096067801 442016518 /nfs/dbraw/zinc/01/65/18/442016518.db2.gz XXNWKXYXOKSXGG-KRWDZBQOSA-N 1 0 325.412 1.481 40 0 EDABRO O=C(COC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2)N1CCCC1 ZINC000096108810 442033610 /nfs/dbraw/zinc/03/36/10/442033610.db2.gz NNGZAUCZGSIYDD-MJGOQNOKSA-N 1 0 345.443 1.169 40 0 EDABRO Cn1ccnc1CN1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224250 442092428 /nfs/dbraw/zinc/09/24/28/442092428.db2.gz ATDMDDOPHKPLTQ-LJQANCHMSA-N 1 0 345.491 1.330 40 0 EDABRO O=C([C@H]1CCOC1)N1CCC2(CC[N@H+](Cc3nccs3)C2)CC1 ZINC000096157456 442048072 /nfs/dbraw/zinc/04/80/72/442048072.db2.gz UEZKWBHMCCCMTG-AWEZNQCLSA-N 1 0 335.473 1.994 40 0 EDABRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CNC(=O)N(C)C)OC[C@H]3C2)o1 ZINC000096185273 442059164 /nfs/dbraw/zinc/05/91/64/442059164.db2.gz XEWFXQLMBLLFIH-XYPHTWIQSA-N 1 0 335.448 1.950 40 0 EDABRO COCC[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccncc1F)C2 ZINC000096202012 442077311 /nfs/dbraw/zinc/07/73/11/442077311.db2.gz HOGFXWXYVYAPRL-KRWDZBQOSA-N 1 0 337.395 1.032 40 0 EDABRO Cc1occc1C(=O)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096202054 442077578 /nfs/dbraw/zinc/07/75/78/442077578.db2.gz MYISTHCMYSLRKQ-LJQANCHMSA-N 1 0 348.443 1.932 40 0 EDABRO Cn1cc(CN2CCOC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cn1 ZINC000096202122 442077775 /nfs/dbraw/zinc/07/77/75/442077775.db2.gz DOUOAPKCWLHFMH-GOSISDBHSA-N 1 0 330.432 1.738 40 0 EDABRO Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000096206198 442078935 /nfs/dbraw/zinc/07/89/35/442078935.db2.gz OCUBSJIJNIPBIP-XJKSGUPXSA-N 1 0 338.477 1.846 40 0 EDABRO COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096202388 442079696 /nfs/dbraw/zinc/07/96/96/442079696.db2.gz REDNKGPFYCBOLW-PBHICJAKSA-N 1 0 338.473 1.805 40 0 EDABRO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccncc3)C2)O1 ZINC000096208956 442084442 /nfs/dbraw/zinc/08/44/42/442084442.db2.gz VROXISMHOMLJKR-JKSUJKDBSA-N 1 0 339.461 1.144 40 0 EDABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096218652 442089016 /nfs/dbraw/zinc/08/90/16/442089016.db2.gz NUVHRHCTQKMAIX-QFBILLFUSA-N 1 0 339.443 1.847 40 0 EDABRO O=C1NCCN(Cc2ccccc2)C12CC[NH+]([C@H]1CCOC1)CC2 ZINC000096230236 442097529 /nfs/dbraw/zinc/09/75/29/442097529.db2.gz WQSAXAKGHWUVDD-KRWDZBQOSA-N 1 0 329.444 1.242 40 0 EDABRO C[NH+](C)CCN1CCOCC2(CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000096239854 442099560 /nfs/dbraw/zinc/09/95/60/442099560.db2.gz LENFMIRDJHKXEQ-UHFFFAOYSA-N 1 0 335.492 1.455 40 0 EDABRO Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12 ZINC000248010469 442877390 /nfs/dbraw/zinc/87/73/90/442877390.db2.gz DRSXUXDPCOCTEW-XNRPHZJLSA-N 1 0 346.456 1.358 40 0 EDABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)OC[C@]1(C)O ZINC000257297751 443136904 /nfs/dbraw/zinc/13/69/04/443136904.db2.gz RIRQAMCKTZXRGX-HOCLYGCPSA-N 1 0 338.473 1.824 40 0 EDABRO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](C2CCC2)CC1 ZINC000225467717 443105600 /nfs/dbraw/zinc/10/56/00/443105600.db2.gz UCXLRMOWEWSAAA-UHFFFAOYSA-N 1 0 337.489 1.811 40 0 biogenic,in-vitro EDABRO O=C(c1ccccc1C(F)(F)F)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257278367 443126564 /nfs/dbraw/zinc/12/65/64/443126564.db2.gz OBYWKQVLUFFXKL-ZIAGYGMSSA-N 1 0 328.334 1.987 40 0 EDABRO CNC(=O)c1cnn(CC2CC[NH+](CC3(O)CCCCC3)CC2)c1 ZINC000257327669 443148952 /nfs/dbraw/zinc/14/89/52/443148952.db2.gz XCFQWGBSHZQFNF-UHFFFAOYSA-N 1 0 334.464 1.650 40 0 EDABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cnco2)C1 ZINC000257338353 443154267 /nfs/dbraw/zinc/15/42/67/443154267.db2.gz YWZUUBLKFRUTPF-KRWDZBQOSA-N 1 0 330.388 1.169 40 0 EDABRO CC(C)S(=O)(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257337687 443154447 /nfs/dbraw/zinc/15/44/47/443154447.db2.gz YTYUYISNMLULIZ-UHFFFAOYSA-N 1 0 340.493 1.531 40 0 EDABRO CC(C)n1cnc([C@H]2C[NH2+]C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306133239 444286211 /nfs/dbraw/zinc/28/62/11/444286211.db2.gz MGFNRAPIDQLVLY-VQIMIIECSA-N 1 0 339.443 1.965 40 0 EDABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(c3cc(C)nc4ncnn43)C2)C1 ZINC000306144030 444288165 /nfs/dbraw/zinc/28/81/65/444288165.db2.gz YTWQHIADPWGLTB-CQSZACIVSA-N 1 0 330.436 1.370 40 0 EDABRO c1ncn(-c2ccc(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nn2)n1 ZINC000409429246 447684445 /nfs/dbraw/zinc/68/44/45/447684445.db2.gz QIYDADDVAUUIBF-CALCHBBNSA-N 1 0 347.426 1.626 40 0 EDABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(=O)Nc2cccc(OC)c2)[C@H]1O ZINC000514288373 448160831 /nfs/dbraw/zinc/16/08/31/448160831.db2.gz BLWIXRSHGRATLN-OWCLPIDISA-N 1 0 337.420 1.287 40 0 biogenic,in-vitro EDABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(C4CCC4)C3)N2C1 ZINC000514288830 448160850 /nfs/dbraw/zinc/16/08/50/448160850.db2.gz FVSCHWJPKFLHNI-WOJBJXKFSA-N 1 0 341.499 1.587 40 0 biogenic,in-vitro EDABRO Cc1nc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCCC4)C3)CC2)c[nH]1 ZINC000585104211 448687102 /nfs/dbraw/zinc/68/71/02/448687102.db2.gz MWLZVIWPZDDDTJ-HNNXBMFYSA-N 1 0 332.448 1.825 40 0 EDABRO Cc1ccccc1OC[C@]1(O)CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000585277152 448722815 /nfs/dbraw/zinc/72/28/15/448722815.db2.gz MBTDFMNEBXOUHC-IBGZPJMESA-N 1 0 332.444 1.823 40 0 EDABRO CO[C@H]1CCC[N@H+](Cc2cnccn2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269065 448716598 /nfs/dbraw/zinc/71/65/98/448716598.db2.gz JJYCSHYUYJPJKE-IRXDYDNUSA-N 1 0 332.448 1.859 40 0 EDABRO COc1cccc(C(=O)N2CC3(C2)C[C@@H](CO)C[N@@H+]3CC2CC2)c1 ZINC000585093789 448676261 /nfs/dbraw/zinc/67/62/61/448676261.db2.gz GCKVJBLUYCRGAA-OAHLLOKOSA-N 1 0 330.428 1.614 40 0 EDABRO CO[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1Cc1ccccc1 ZINC000585279874 448729212 /nfs/dbraw/zinc/72/92/12/448729212.db2.gz RTUNHJCNOPNAMG-MSOLQXFVSA-N 1 0 332.444 1.425 40 0 EDABRO CC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585281762 448730465 /nfs/dbraw/zinc/73/04/65/448730465.db2.gz QWTDSVGHHQDUTQ-LJQANCHMSA-N 1 0 332.444 1.903 40 0 EDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H]1OC ZINC000585291719 448735732 /nfs/dbraw/zinc/73/57/32/448735732.db2.gz SIKWDLWCKSLDFC-KURKYZTESA-N 1 0 331.416 1.733 40 0 EDABRO CSCC(=O)N1CC2(C1)CC[C@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000575403799 449091605 /nfs/dbraw/zinc/09/16/05/449091605.db2.gz JUMACAVJGAPISV-MRXNPFEDSA-N 1 0 349.500 1.884 40 0 EDABRO CCCS(=O)(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1 ZINC000575404752 449092396 /nfs/dbraw/zinc/09/23/96/449092396.db2.gz DGUDONGQQZUUPF-OAHLLOKOSA-N 1 0 326.466 1.466 40 0 EDABRO CC1CC[NH+](C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1 ZINC000514289682 500644485 /nfs/dbraw/zinc/64/44/85/500644485.db2.gz YFAMOKGXANSVKM-YESZJQIVSA-N 1 0 336.407 1.416 40 0 biogenic,in-vitro EDABRO CCc1nnsc1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257236195 535866856 /nfs/dbraw/zinc/86/68/56/535866856.db2.gz HBDMHSKWCYDMLP-LBPRGKRZSA-N 1 0 347.444 1.552 40 0 EDABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000257200367 536052091 /nfs/dbraw/zinc/05/20/91/536052091.db2.gz ACZHLDUMBGZHMO-OAHLLOKOSA-N 1 0 340.431 1.727 40 0 EDABRO Nc1nccc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(F)cc3)C2)n1 ZINC000072355913 216164753 /nfs/dbraw/zinc/16/47/53/216164753.db2.gz IRERDQVPLDZDCY-HIFRSBDPSA-N 1 0 343.406 1.474 40 0 EDABRO Cc1cc(CCC(=O)NCc2ccnn2C)nc([C@H]2CCC[NH2+]2)n1 ZINC000072366879 216173547 /nfs/dbraw/zinc/17/35/47/216173547.db2.gz GEYZWNPYHFRBDL-OAHLLOKOSA-N 1 0 328.420 1.192 40 0 EDABRO COc1cccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000072374068 216178148 /nfs/dbraw/zinc/17/81/48/216178148.db2.gz CBEIRBPJXMYREG-HNNXBMFYSA-N 1 0 341.415 1.757 40 0 EDABRO CC(C)CNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 ZINC000072394733 216192732 /nfs/dbraw/zinc/19/27/32/216192732.db2.gz BVRGNVIGIPKQLR-CQSZACIVSA-N 1 0 335.448 1.863 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC ZINC000218511528 241329304 /nfs/dbraw/zinc/32/93/04/241329304.db2.gz DZPXMTWLOUKYEI-KCQAQPDRSA-N 1 0 345.848 1.749 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)Cc2coc3cc(C)ccc23)CC[N@H+](C)C1 ZINC000257218184 244175424 /nfs/dbraw/zinc/17/54/24/244175424.db2.gz DCEDPNZLBDDNQM-OAHLLOKOSA-N 1 0 343.427 1.420 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)c2c(C)n(C)c3ccccc32)CC[N@H+](C)C1 ZINC000257224107 244193760 /nfs/dbraw/zinc/19/37/60/244193760.db2.gz FAIRAQRXDMFRKE-CQSZACIVSA-N 1 0 342.443 1.237 40 0 EDABRO Cc1cccc2nc(C(=O)N3CC[C@@](O)(C[NH+]4CCCC4)C3)cn21 ZINC000257224591 244193926 /nfs/dbraw/zinc/19/39/26/244193926.db2.gz FCLBXJQPCDLWLQ-GOSISDBHSA-N 1 0 328.416 1.316 40 0 EDABRO NC(=O)c1cccc(C[C@@H]2COCC[N@H+](Cc3cccs3)C2)n1 ZINC000257221588 244183829 /nfs/dbraw/zinc/18/38/29/244183829.db2.gz DPTDHZWMBYZRLX-ZDUSSCGKSA-N 1 0 331.441 1.933 40 0 EDABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCn2ccc(C)n2)cc1 ZINC000257247914 244261290 /nfs/dbraw/zinc/26/12/90/244261290.db2.gz JBDQXDUDVAUSIU-KRWDZBQOSA-N 1 0 328.416 1.763 40 0 EDABRO Cc1ccnn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019238288 212009060 /nfs/dbraw/zinc/00/90/60/212009060.db2.gz ITKMDYGAVAMXGU-CZUORRHYSA-N 1 0 340.431 1.552 40 0 EDABRO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C ZINC000079420016 217223514 /nfs/dbraw/zinc/22/35/14/217223514.db2.gz YAJYAQFQXGKZGN-ZBFHGGJFSA-N 1 0 333.432 1.839 40 0 EDABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000012362929 211355831 /nfs/dbraw/zinc/35/58/31/211355831.db2.gz UAKPYRQPXYEEHT-OWCLPIDISA-N 1 0 344.459 1.601 40 0 EDABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC ZINC000012362738 211355663 /nfs/dbraw/zinc/35/56/63/211355663.db2.gz KGHVUHNHOMEUIX-ZDUSSCGKSA-N 1 0 336.436 1.335 40 0 EDABRO O=C1C[C@@H](c2cccnc2)C2(CCN(CC[NH+]3CCCC3)CC2)N1 ZINC000096199741 218671084 /nfs/dbraw/zinc/67/10/84/218671084.db2.gz UAVGVLNVZHPRNY-KRWDZBQOSA-N 1 0 328.460 1.616 40 0 EDABRO C[NH+](C)CC(=O)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096207059 218680940 /nfs/dbraw/zinc/68/09/40/218680940.db2.gz ZJTXONRSPIZIPI-WMZOPIPTSA-N 1 0 333.432 1.310 40 0 EDABRO Cc1cccc(CN2Cc3nccn3C[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000096188505 281217962 /nfs/dbraw/zinc/21/79/62/281217962.db2.gz CPAYJKKXVQLRFW-KRWDZBQOSA-N 1 0 341.459 1.551 40 0 EDABRO CCN1c2ccccc2[C@@]2(N=C(Nc3ccccc3)NC(=[NH2+])N2)C1=O ZINC000019332704 441256411 /nfs/dbraw/zinc/25/64/11/441256411.db2.gz OPSSHXQCYBULMC-GOSISDBHSA-N 1 0 334.383 1.592 40 0 EDABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccnc1N(C)C)CC2 ZINC000019453781 441257558 /nfs/dbraw/zinc/25/75/58/441257558.db2.gz JKXKKAIFQHFJTG-UHFFFAOYSA-N 1 0 341.459 1.955 40 0 EDABRO O=C([C@@H]1COC[C@H]2C[N@H+](Cc3cccs3)C[C@H]21)N1CCCCO1 ZINC000107709813 441426440 /nfs/dbraw/zinc/42/64/40/441426440.db2.gz NQZBHCJXQKFXLN-FVQBIDKESA-N 1 0 336.457 1.997 40 0 EDABRO Cc1cccnc1C[N@@H+]1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108529992 441460785 /nfs/dbraw/zinc/46/07/85/441460785.db2.gz QHIKLEOESBJCSJ-UHFFFAOYSA-N 1 0 335.473 1.826 40 0 EDABRO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccc(C)n3)C[C@@H]21 ZINC000096043430 441992878 /nfs/dbraw/zinc/99/28/78/441992878.db2.gz WJKHRFOHWXJLGK-KZNAEPCWSA-N 1 0 347.459 1.380 40 0 EDABRO Cc1ccc(CN2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)o1 ZINC000096049778 441998607 /nfs/dbraw/zinc/99/86/07/441998607.db2.gz GPEAAVQVFPERII-SFHVURJKSA-N 1 0 337.464 1.053 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096040801 441986656 /nfs/dbraw/zinc/98/66/56/441986656.db2.gz LSXNLSHVHOZLEH-BMFZPTHFSA-N 1 0 335.404 1.150 40 0 EDABRO O=C(NCc1cccnc1)[C@@H]1C[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2O1 ZINC000096041031 441988008 /nfs/dbraw/zinc/98/80/08/441988008.db2.gz CLEUBIFMGKXNCA-SZMVWBNQSA-N 1 0 345.443 1.356 40 0 EDABRO COCC[N@@H+]1CCC[C@]2(C(=O)[O-])C[NH+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096064292 442012197 /nfs/dbraw/zinc/01/21/97/442012197.db2.gz IKMRKWFZPPAASD-LPHOPBHVSA-N 1 0 347.459 1.635 40 0 EDABRO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000096069800 442017273 /nfs/dbraw/zinc/01/72/73/442017273.db2.gz OULAWYYDOZYMPN-NVXWUHKLSA-N 1 0 329.444 1.898 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)cn1 ZINC000096071244 442018757 /nfs/dbraw/zinc/01/87/57/442018757.db2.gz SKQMZOVKZBPPCV-IBGZPJMESA-N 1 0 339.443 1.972 40 0 EDABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 ZINC000096111597 442035726 /nfs/dbraw/zinc/03/57/26/442035726.db2.gz HYAVPNNCBIQMNQ-QRVBRYPASA-N 1 0 340.423 1.643 40 0 biogenic,in-vitro EDABRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CC[NH+](CC1CC1)CC2 ZINC000096218352 442089502 /nfs/dbraw/zinc/08/95/02/442089502.db2.gz ZZOWHSSSYLKNMB-HNNXBMFYSA-N 1 0 342.505 1.692 40 0 EDABRO O=C(c1ccnnc1)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000096183552 442058251 /nfs/dbraw/zinc/05/82/51/442058251.db2.gz JSPKNKBCMXECJE-DOTOQJQBSA-N 1 0 342.374 1.593 40 0 EDABRO Cc1ccsc1C(=O)N1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC000096197544 442072344 /nfs/dbraw/zinc/07/23/44/442072344.db2.gz IKWCDJJCVCHZFI-UHFFFAOYSA-N 1 0 346.456 1.721 40 0 EDABRO CN(C)C(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC000096206190 442079431 /nfs/dbraw/zinc/07/94/31/442079431.db2.gz ZZABWWQJYGXIOK-WBVHZDCISA-N 1 0 338.473 1.976 40 0 EDABRO COCCN1CC2(CC[NH+](Cc3cccnc3)CC2)[C@H](COC)C1=O ZINC000096206417 442080735 /nfs/dbraw/zinc/08/07/35/442080735.db2.gz ZDASNCXNRMLGML-QGZVFWFLSA-N 1 0 347.459 1.415 40 0 EDABRO CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096208079 442083388 /nfs/dbraw/zinc/08/33/88/442083388.db2.gz JJVWPFUUQNJOJN-CVEARBPZSA-N 1 0 339.461 1.002 40 0 EDABRO O=C1NC[C@H](COc2ccccn2)[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096215151 442085687 /nfs/dbraw/zinc/08/56/87/442085687.db2.gz TZXCRJIQQAYRFK-RDTXWAMCSA-N 1 0 327.384 1.692 40 0 EDABRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)cn1 ZINC000096217269 442088162 /nfs/dbraw/zinc/08/81/62/442088162.db2.gz ATJHHEWOCKCQFW-LJQANCHMSA-N 1 0 339.443 1.943 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC000096249651 442102953 /nfs/dbraw/zinc/10/29/53/442102953.db2.gz HJMIWAGGQAGHNJ-RTBURBONSA-N 1 0 345.487 1.606 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)cn1 ZINC000096249435 442103246 /nfs/dbraw/zinc/10/32/46/442103246.db2.gz OVWWKDRAUJBMEU-QZTJIDSGSA-N 1 0 327.432 1.685 40 0 EDABRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249713 442103644 /nfs/dbraw/zinc/10/36/44/442103644.db2.gz HKENGHZILWNRBF-QZTJIDSGSA-N 1 0 339.443 1.907 40 0 EDABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC000247831610 442869603 /nfs/dbraw/zinc/86/96/03/442869603.db2.gz HMXUPUSIZWSUNS-MRXNPFEDSA-N 1 0 336.432 1.727 40 0 EDABRO COCCNC(=O)[C@H]1CN(Cc2sccc2C)Cc2ncn(C)c21 ZINC000248000619 442876567 /nfs/dbraw/zinc/87/65/67/442876567.db2.gz ALYXWFNXZZPQGE-ZDUSSCGKSA-N 1 0 348.472 1.652 40 0 EDABRO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cccc4c3OCCO4)C2)C1 ZINC000248114239 442882588 /nfs/dbraw/zinc/88/25/88/442882588.db2.gz IFXAHRUTZFFVIN-CQSZACIVSA-N 1 0 346.427 1.641 40 0 EDABRO [NH3+][C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000252514486 443038750 /nfs/dbraw/zinc/03/87/50/443038750.db2.gz CPMGZWJFQHDAPZ-BZUAXINKSA-N 1 0 337.828 1.970 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCCc1noc(C2CC[NH2+]CC2)n1 ZINC000218378530 443057897 /nfs/dbraw/zinc/05/78/97/443057897.db2.gz MDDPJTMDTPDOCK-UHFFFAOYSA-N 1 0 340.383 1.765 40 0 EDABRO N[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058834 443058184 /nfs/dbraw/zinc/05/81/84/443058184.db2.gz PUTKWDGOBAMMIB-JYJNAYRXSA-N 1 0 336.844 1.936 40 0 EDABRO O=C(CCN1C(=O)CCCC1=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253488461 443072217 /nfs/dbraw/zinc/07/22/17/443072217.db2.gz AUPZDFOUVOMPGK-LSDHHAIUSA-N 1 0 336.432 1.723 40 0 EDABRO C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cccnc1 ZINC000257285446 443131713 /nfs/dbraw/zinc/13/17/13/443131713.db2.gz PHCIDKBEAQAEMR-BDXSIMOUSA-N 1 0 341.411 1.322 40 0 EDABRO Cc1cc(C)n2ncc(C[NH+]3CCC4(CC3)OCCC[C@H]4O)c2n1 ZINC000257314550 443143766 /nfs/dbraw/zinc/14/37/66/443143766.db2.gz UXLIWGKHNBDBCZ-MRXNPFEDSA-N 1 0 330.432 1.852 40 0 EDABRO CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)c2cccc(C)n2)c1 ZINC000257215416 443124282 /nfs/dbraw/zinc/12/42/82/443124282.db2.gz CPZVFRVBWXJMRC-KRWDZBQOSA-N 1 0 338.411 1.536 40 0 EDABRO CO[C@H]1[C@@H]2OCO[C@@H]2C[C@H]2[C@@H](O)C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC000261829900 443170909 /nfs/dbraw/zinc/17/09/09/443170909.db2.gz XURKOQQWNGJKKI-OOXNMXKUSA-N 1 0 333.428 1.817 40 0 EDABRO [NH3+]C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242649131 443211913 /nfs/dbraw/zinc/21/19/13/443211913.db2.gz RVWGLINPBOCBGU-COXVUDFISA-N 1 0 331.393 1.930 40 0 EDABRO O[C@H](COCc1ccccc1F)C[NH+]1CCC(n2cncn2)CC1 ZINC000303257187 444236087 /nfs/dbraw/zinc/23/60/87/444236087.db2.gz IXNLODCTZZTLKO-INIZCTEOSA-N 1 0 334.395 1.632 40 0 EDABRO CNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccs2)CC1 ZINC000306123224 444284664 /nfs/dbraw/zinc/28/46/64/444284664.db2.gz AHQRVCNCJGDETO-UHFFFAOYSA-N 1 0 345.472 1.928 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306135106 444286755 /nfs/dbraw/zinc/28/67/55/444286755.db2.gz OHZIIQMCPVAGPQ-STQMWFEESA-N 1 0 329.404 1.314 40 0 EDABRO O=C(NCC[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)c1cnccn1 ZINC000306138187 444287275 /nfs/dbraw/zinc/28/72/75/444287275.db2.gz RSBFXJXWWQCAAL-HNNXBMFYSA-N 1 0 340.431 1.793 40 0 EDABRO Cc1nc(C(=O)N2Cc3ccnn3CC[C@@H]2C[NH+]2CCCC2)c[nH]1 ZINC000585097809 448682630 /nfs/dbraw/zinc/68/26/30/448682630.db2.gz QPDCJCAJVCTSAB-CQSZACIVSA-N 1 0 328.420 1.425 40 0 EDABRO O=C1CCCN1C[C@H]1CCn2nccc2C[N@@H+]1CC1CCOCC1 ZINC000585097460 448683035 /nfs/dbraw/zinc/68/30/35/448683035.db2.gz LWEVHHLBITUOAD-MRXNPFEDSA-N 1 0 332.448 1.506 40 0 EDABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100730 448684731 /nfs/dbraw/zinc/68/47/31/448684731.db2.gz UXAXLPUBSLEUFS-GDBMZVCRSA-N 1 0 330.494 1.677 40 0 EDABRO CNC(=O)C[C@]1(OC)COCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000585279504 448727817 /nfs/dbraw/zinc/72/78/17/448727817.db2.gz NHXTWXQOCGHPKF-GOSISDBHSA-N 1 0 331.416 1.521 40 0 EDABRO Cc1nn(C)cc1NC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585281471 448730763 /nfs/dbraw/zinc/73/07/63/448730763.db2.gz YBLQMEBPJGTKLA-NXHRZFHOSA-N 1 0 342.443 1.939 40 0 EDABRO CCCn1cc(C[N@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)c2ccccc21 ZINC000585291160 448735253 /nfs/dbraw/zinc/73/52/53/448735253.db2.gz LZBHEFXFJKBGBH-LZQZEXGQSA-N 1 0 332.444 1.851 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218460165 535595925 /nfs/dbraw/zinc/59/59/25/535595925.db2.gz WLUYELGZVMMBFV-DZKIICNBSA-N 1 0 325.430 1.404 40 0 EDABRO CCn1cc(C[N@@H+]2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C)n1 ZINC000257204595 536057135 /nfs/dbraw/zinc/05/71/35/536057135.db2.gz AVJODXKCJRPHTN-ZDUSSCGKSA-N 1 0 330.436 1.626 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[N@H+](C)C1 ZINC000257235318 536398970 /nfs/dbraw/zinc/39/89/70/536398970.db2.gz GXIFTUZGORNZPO-HNNXBMFYSA-N 1 0 342.443 1.237 40 0 EDABRO CCCCc1cn(C[C@H]2C[C@H]3CC[N@@H+]2C[C@@H]3C(=O)NCCOC)nn1 ZINC000008298020 560208320 /nfs/dbraw/zinc/20/83/20/560208320.db2.gz NPWAXSURFWQNOS-OIISXLGYSA-N 1 0 349.479 1.094 40 0 biogenic,in-vitro EDABRO CCc1ccccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000187800464 529607328 /nfs/dbraw/zinc/60/73/28/529607328.db2.gz KQUKFZDDOFELNH-HNNXBMFYSA-N 1 0 339.505 1.553 40 0 EDABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](CCOC)C3)n2)ncn1 ZINC000072377555 216179659 /nfs/dbraw/zinc/17/96/59/216179659.db2.gz TTWGTQNMRMMGEN-CYBMUJFWSA-N 1 0 343.435 1.878 40 0 EDABRO C[C@@]1(C(=O)N2CCOCC2)C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000072379930 216182331 /nfs/dbraw/zinc/18/23/31/216182331.db2.gz FUQPJMKUSSBRQN-IBGZPJMESA-N 1 0 343.427 1.618 40 0 EDABRO CCC(CC)C(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2nccnc21 ZINC000072391643 216191423 /nfs/dbraw/zinc/19/14/23/216191423.db2.gz GWUXBLJFMXQTBT-AWEZNQCLSA-N 1 0 344.463 1.798 40 0 EDABRO O=c1cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)nc(N2CCCC2)[nH]1 ZINC000072394665 216192857 /nfs/dbraw/zinc/19/28/57/216192857.db2.gz ODMMFOBTKVRYEB-OAHLLOKOSA-N 1 0 325.416 1.755 40 0 EDABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193647 241305053 /nfs/dbraw/zinc/30/50/53/241305053.db2.gz KDGARTSPQVYESW-AVGNSLFASA-N 1 0 348.262 1.551 40 0 EDABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(N)C[NH3+] ZINC000218204762 241306819 /nfs/dbraw/zinc/30/68/19/241306819.db2.gz LMFHWQNFCAIFMR-SRVKXCTJSA-N 1 0 333.251 1.006 40 0 EDABRO COc1cccc(OC)c1CN1CC[N@H+](C)C[C@H](C(=O)N(C)C)C1 ZINC000257207904 244141229 /nfs/dbraw/zinc/14/12/29/244141229.db2.gz BJWMEMUOTVPTPZ-AWEZNQCLSA-N 1 0 335.448 1.156 40 0 EDABRO CC(C)([NH3+])C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257209430 244145228 /nfs/dbraw/zinc/14/52/28/244145228.db2.gz BQIJXTKWZMXMEU-KKUMJFAQSA-N 1 0 346.431 1.147 40 0 EDABRO CN(C)C(=O)C[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257212846 244156139 /nfs/dbraw/zinc/15/61/39/244156139.db2.gz CFEVJZGTTUEBBC-BXWFABGCSA-N 1 0 329.444 1.949 40 0 EDABRO O=C(Cc1ccsc1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257270384 244376921 /nfs/dbraw/zinc/37/69/21/244376921.db2.gz MUANDQNLNHRFJB-HNNXBMFYSA-N 1 0 344.427 1.985 40 0 EDABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](Cc3cccnc3)C2)CC1 ZINC000257265026 244359013 /nfs/dbraw/zinc/35/90/13/244359013.db2.gz LWZDBNYGPAQRPN-INIZCTEOSA-N 1 0 337.489 1.760 40 0 EDABRO COCC[N@@H+]1CCC[C@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 ZINC000019766302 212063263 /nfs/dbraw/zinc/06/32/63/212063263.db2.gz RCGQCUJVOWPYDA-HNNXBMFYSA-N 1 0 348.447 1.083 40 0 EDABRO CCN(C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079412872 217222416 /nfs/dbraw/zinc/22/24/16/217222416.db2.gz HKVZWUWLLAEFQS-GOEBONIOSA-N 1 0 333.432 1.841 40 0 EDABRO Cc1nonc1CC(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000012366133 211357100 /nfs/dbraw/zinc/35/71/00/211357100.db2.gz VUTSEZXJRNHHCY-AWEZNQCLSA-N 1 0 330.388 1.272 40 0 EDABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)[C@@H]3CCCO3)CC2)c1 ZINC000012291016 211332557 /nfs/dbraw/zinc/33/25/57/211332557.db2.gz LECZTXZEYLKUHU-KRWDZBQOSA-N 1 0 348.443 1.274 40 0 EDABRO O=C(c1cscn1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257282883 284762560 /nfs/dbraw/zinc/76/25/60/284762560.db2.gz OVQUPDGZHBOWRU-ZDUSSCGKSA-N 1 0 331.388 1.451 40 0 EDABRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CC[NH+](CC1CC1)CC2 ZINC000096218355 218692202 /nfs/dbraw/zinc/69/22/02/218692202.db2.gz ZZOWHSSSYLKNMB-OAHLLOKOSA-N 1 0 342.505 1.692 40 0 EDABRO COc1ccc([C@@H]2COc3c(CN4CCC([NH3+])CC4)nnn3C2)cc1 ZINC000263616199 257899042 /nfs/dbraw/zinc/89/90/42/257899042.db2.gz HOOTVJDKSJPPQS-AWEZNQCLSA-N 1 0 343.431 1.386 40 0 EDABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1Cl ZINC000013632777 441162523 /nfs/dbraw/zinc/16/25/23/441162523.db2.gz LMAFJUVGVQFTIL-UHFFFAOYSA-N 1 0 347.868 1.092 40 0 EDABRO CCCN(CCC)S(=O)(=O)c1cnccc1N1CC[NH2+]CC1 ZINC000072210641 441206591 /nfs/dbraw/zinc/20/65/91/441206591.db2.gz APLLAEAHRAYLGK-UHFFFAOYSA-N 1 0 326.466 1.302 40 0 EDABRO O=C(C[C@@H]1C=CCC1)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019404451 441257169 /nfs/dbraw/zinc/25/71/69/441257169.db2.gz MFAMTUZWEJBYPE-ZIAGYGMSSA-N 1 0 340.431 1.376 40 0 EDABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061547376 441277345 /nfs/dbraw/zinc/27/73/45/441277345.db2.gz DYBMSBYQUFNEKC-UHFFFAOYSA-N 1 0 339.461 1.153 40 0 EDABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C=O)CC3)CC2)c1 ZINC000039749151 441619442 /nfs/dbraw/zinc/61/94/42/441619442.db2.gz MTGJFASAFJLLGZ-UHFFFAOYSA-N 1 0 329.444 1.508 40 0 EDABRO COc1ccc([C@@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177477 441620316 /nfs/dbraw/zinc/62/03/16/441620316.db2.gz XOGBJUAIHYRMBL-NVXWUHKLSA-N 1 0 338.473 1.609 40 0 EDABRO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096043317 441991640 /nfs/dbraw/zinc/99/16/40/441991640.db2.gz HCPFFEYLODTQSQ-IXDOHACOSA-N 1 0 333.432 1.071 40 0 EDABRO COCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccccn3)[C@@H]2C1 ZINC000096043379 441993095 /nfs/dbraw/zinc/99/30/95/441993095.db2.gz DCAXCCYZCXUIFN-FGTMMUONSA-N 1 0 347.459 1.114 40 0 EDABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1 ZINC000096036801 441984020 /nfs/dbraw/zinc/98/40/20/441984020.db2.gz DABXHERYTYJECQ-INIZCTEOSA-N 1 0 346.475 1.755 40 0 EDABRO CN(C)C(=O)COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096039769 441987246 /nfs/dbraw/zinc/98/72/46/441987246.db2.gz ACFILNLZVNGTLO-IEBWSBKVSA-N 1 0 347.459 1.558 40 0 EDABRO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096039771 441987408 /nfs/dbraw/zinc/98/74/08/441987408.db2.gz ACFILNLZVNGTLO-PKOBYXMFSA-N 1 0 347.459 1.558 40 0 EDABRO C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccsc1 ZINC000096041496 441987886 /nfs/dbraw/zinc/98/78/86/441987886.db2.gz OZODHIRVABQMQQ-ZMSDIMECSA-N 1 0 338.473 1.627 40 0 EDABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096055902 442002958 /nfs/dbraw/zinc/00/29/58/442002958.db2.gz BOSWMNVQIOZMOC-HKUYNNGSSA-N 1 0 348.491 1.906 40 0 EDABRO O=C(c1cccnc1)N1CCOC[C@@]2(CC[C@@H](C[NH+]3CCCC3)O2)C1 ZINC000096063367 442011707 /nfs/dbraw/zinc/01/17/07/442011707.db2.gz NFNUESOEHBMQSB-PKOBYXMFSA-N 1 0 345.443 1.568 40 0 EDABRO COc1cc(N2C[C@H]3CCC[C@@H](C[NH+]4CCOCC4)[C@H]3C2)ncn1 ZINC000096081891 442023274 /nfs/dbraw/zinc/02/32/74/442023274.db2.gz YXISEBFDKKIXAE-ARFHVFGLSA-N 1 0 332.448 1.670 40 0 EDABRO CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096108613 442033781 /nfs/dbraw/zinc/03/37/81/442033781.db2.gz IOPGKMWRWAGXSI-RRFJBIMHSA-N 1 0 328.434 1.150 40 0 EDABRO O=C(c1cnccn1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096110654 442036121 /nfs/dbraw/zinc/03/61/21/442036121.db2.gz RNVPWLOUXVSQCI-GASCZTMLSA-N 1 0 326.375 1.820 40 0 EDABRO Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C[NH+]3CCCCC3)C2)cn1 ZINC000096218964 442090778 /nfs/dbraw/zinc/09/07/78/442090778.db2.gz ZJFLJEQVVLAEIS-MJGOQNOKSA-N 1 0 329.444 1.965 40 0 EDABRO Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nc(C)n[nH]3)C2)n1 ZINC000096220014 442091996 /nfs/dbraw/zinc/09/19/96/442091996.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 1 0 333.461 1.958 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)cn1 ZINC000096224924 442094276 /nfs/dbraw/zinc/09/42/76/442094276.db2.gz JDLMPKMCJSIIOC-QGZVFWFLSA-N 1 0 346.475 1.804 40 0 EDABRO O=C(c1cccnc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000096183417 442056644 /nfs/dbraw/zinc/05/66/44/442056644.db2.gz QBWKOEGRENGFTB-ZWKOTPCHSA-N 1 0 338.411 1.592 40 0 EDABRO Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21 ZINC000096185330 442059638 /nfs/dbraw/zinc/05/96/38/442059638.db2.gz UVCHFIBKXBRUTR-OAGGEKHMSA-N 1 0 344.415 1.280 40 0 EDABRO CN(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096186269 442060831 /nfs/dbraw/zinc/06/08/31/442060831.db2.gz PYYUVFPRAFXPHA-HZPDHXFCSA-N 1 0 333.407 1.479 40 0 EDABRO O=C(CC1CC1)NCc1cnc2n1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096197044 442069833 /nfs/dbraw/zinc/06/98/33/442069833.db2.gz LMTOEMCIJKTATC-UHFFFAOYSA-N 1 0 339.443 1.753 40 0 EDABRO c1csc(C[NH2+]C[C@@H]2Cn3nnc(-c4cncnc4)c3CO2)c1 ZINC000096199261 442073228 /nfs/dbraw/zinc/07/32/28/442073228.db2.gz USHDFPCFVKGNNJ-GFCCVEGCSA-N 1 0 328.401 1.485 40 0 EDABRO C[C@@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096201561 442076256 /nfs/dbraw/zinc/07/62/56/442076256.db2.gz IOABUOBTXMBLCA-AWEZNQCLSA-N 1 0 332.448 1.412 40 0 EDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000096218447 442089267 /nfs/dbraw/zinc/08/92/67/442089267.db2.gz VTOXFWGUCGFDHL-KBXCAEBGSA-N 1 0 336.407 1.875 40 0 EDABRO C[NH+](C)CC(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC000096239061 442098590 /nfs/dbraw/zinc/09/85/90/442098590.db2.gz BXAMAUZJLUACPG-KRWDZBQOSA-N 1 0 337.370 1.482 40 0 EDABRO COCC[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(NCC3CC3)nc12 ZINC000096244527 442100333 /nfs/dbraw/zinc/10/03/33/442100333.db2.gz REMIYRPPODYFLC-SFHVURJKSA-N 1 0 332.448 1.727 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3CC2)s1 ZINC000096249466 442103609 /nfs/dbraw/zinc/10/36/09/442103609.db2.gz HNOSPUVJKZNDIZ-GJZGRUSLSA-N 1 0 344.502 1.681 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O ZINC000252515292 443038866 /nfs/dbraw/zinc/03/88/66/443038866.db2.gz IFRYPRVOFPOTPI-SQWLQELKSA-N 1 0 325.430 1.268 40 0 EDABRO CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)OC[C@]1(C)O ZINC000257304423 443139564 /nfs/dbraw/zinc/13/95/64/443139564.db2.gz SLOULFRSDSKPLE-ROUUACIJSA-N 1 0 347.459 1.434 40 0 EDABRO CN([C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1F ZINC000257313561 443143192 /nfs/dbraw/zinc/14/31/92/443143192.db2.gz UTESBURCFXIFOR-IIAWOOMASA-N 1 0 342.436 1.434 40 0 EDABRO CC(C)Cn1nc2n(c(=O)c1=O)C[C@@H]1CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306126826 444285312 /nfs/dbraw/zinc/28/53/12/444285312.db2.gz FGGDICVUHDZZKD-ZFWWWQNUSA-N 1 0 344.415 1.273 40 0 EDABRO Cn1cccc1C(=O)NC[C@@H]1Cn2nccc2C[N@H+](CC2CCC2)C1 ZINC000306127756 444285809 /nfs/dbraw/zinc/28/58/09/444285809.db2.gz GGKXQXHWGFGROK-INIZCTEOSA-N 1 0 341.459 1.884 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000409440609 447684450 /nfs/dbraw/zinc/68/44/50/447684450.db2.gz LQVRMRFUUJOCFR-LLVKDONJSA-N 1 0 326.356 1.375 40 0 EDABRO COc1ccc2cc(C[N@@H+]3CCN(C)C[C@@H](C(N)=O)C3)ccc2c1 ZINC000585182343 448715527 /nfs/dbraw/zinc/71/55/27/448715527.db2.gz WCLNYQCDAOUYPQ-QGZVFWFLSA-N 1 0 327.428 1.697 40 0 EDABRO CO[C@H]1C[N@H+](Cc2cnn3c2nc(C)cc3C)C[C@H]1CC(=O)N(C)C ZINC000585279059 448727859 /nfs/dbraw/zinc/72/78/59/448727859.db2.gz SEPFASUXCQVWJX-ZBFHGGJFSA-N 1 0 345.447 1.271 40 0 EDABRO C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]2C[C@@]1(C)O ZINC000257230252 536378366 /nfs/dbraw/zinc/37/83/66/536378366.db2.gz GBLUCNYTWXDVNY-JRBPQWBISA-N 1 0 346.471 1.514 40 0 EDABRO CCOc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1OCC ZINC000053717472 214195157 /nfs/dbraw/zinc/19/51/57/214195157.db2.gz KLHWNFLQRPTSNV-UHFFFAOYSA-N 1 0 335.448 1.461 40 0 EDABRO O=c1cc(CCc2ccccc2)[nH]c2c(CN3CC[NH2+]CC3)cnn21 ZINC000100666478 219104467 /nfs/dbraw/zinc/10/44/67/219104467.db2.gz GFKCZKVVLKUSGL-UHFFFAOYSA-N 1 0 337.427 1.625 40 0 EDABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]CCN1CCCC1)OCCO3 ZINC000023247900 212362993 /nfs/dbraw/zinc/36/29/93/212362993.db2.gz LUKQVDIMBKFEDM-UHFFFAOYSA-N 1 0 329.400 1.485 40 0 EDABRO [NH3+]C[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218158432 241301863 /nfs/dbraw/zinc/30/18/63/241301863.db2.gz RVWGLINPBOCBGU-RRQGHBQHSA-N 1 0 331.393 1.930 40 0 EDABRO CC(=O)N1CC[N@H+](CCc2ccc(F)cc2)C[C@@H](C(=O)N(C)C)C1 ZINC000257227211 244204950 /nfs/dbraw/zinc/20/49/50/244204950.db2.gz FODDAUDCKNFJGI-MRXNPFEDSA-N 1 0 335.423 1.237 40 0 EDABRO COc1ccc(CN2CCc3c(=O)[nH]c([C@@H]4CC[NH2+]C4)nc3C2)cc1 ZINC000257261112 244347340 /nfs/dbraw/zinc/34/73/40/244347340.db2.gz LFTHNAQUUOAKLC-CQSZACIVSA-N 1 0 340.427 1.826 40 0 EDABRO COCC[NH+]1CCC(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1 ZINC000019752921 212062390 /nfs/dbraw/zinc/06/23/90/212062390.db2.gz NAAVCJJRERGAHB-UHFFFAOYSA-N 1 0 348.447 1.083 40 0 EDABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019448210 212028152 /nfs/dbraw/zinc/02/81/52/212028152.db2.gz MIDRLMPMCGXYRW-OAHLLOKOSA-N 1 0 330.432 1.610 40 0 EDABRO [NH3+]CC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392994 217218163 /nfs/dbraw/zinc/21/81/63/217218163.db2.gz OACLNGNZPIKWSX-MRXNPFEDSA-N 1 0 331.416 1.737 40 0 EDABRO [NH3+]CC(=O)N1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079412550 217222095 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[NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 ZINC000044556249 303396447 /nfs/dbraw/zinc/39/64/47/303396447.db2.gz LRRBJBSSFSXISO-NSHDSACASA-N 1 0 333.251 1.951 40 0 EDABRO COCC[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCOCC2)C1 ZINC000107712141 441426781 /nfs/dbraw/zinc/42/67/81/441426781.db2.gz WFMTUJDXUASOOA-ROUUACIJSA-N 1 0 327.465 1.947 40 0 EDABRO Cn1cc(C[NH+]2CCC3(CC(=O)N(Cc4ccncc4)C3)CC2)cn1 ZINC000108525214 441459295 /nfs/dbraw/zinc/45/92/95/441459295.db2.gz KMMZZEGUBVLAJL-UHFFFAOYSA-N 1 0 339.443 1.830 40 0 EDABRO CN(C)C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108534580 441461729 /nfs/dbraw/zinc/46/17/29/441461729.db2.gz INCKVZFYQKEJDL-MRXNPFEDSA-N 1 0 332.448 1.866 40 0 EDABRO Cn1cc(C(=O)NC2CC3(C2)CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000108534339 441462058 /nfs/dbraw/zinc/46/20/58/441462058.db2.gz HPWQYLGSIJVIEQ-UHFFFAOYSA-N 1 0 339.443 1.990 40 0 EDABRO COc1ccc([C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)N2CCCC2)cc1 ZINC000040177478 441619944 /nfs/dbraw/zinc/61/99/44/441619944.db2.gz 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ZINC000096108256 442032312 /nfs/dbraw/zinc/03/23/12/442032312.db2.gz AEADVYBPRHYQSV-KUHUBIRLSA-N 1 0 327.428 1.829 40 0 EDABRO CN(C)C(=O)COC[C@@]12CCO[C@@H]1CC[N@H+](CCc1ccccc1)C2 ZINC000096110349 442036181 /nfs/dbraw/zinc/03/61/81/442036181.db2.gz XBWCRPMGMWPCEQ-QUCCMNQESA-N 1 0 346.471 1.815 40 0 EDABRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cnn(C)c4)CC[N@@H+]3C2)n1 ZINC000096110697 442036607 /nfs/dbraw/zinc/03/66/07/442036607.db2.gz ZPBMFJWMBZOQNU-OALUTQOASA-N 1 0 341.459 1.599 40 0 EDABRO O=C1NC[C@H](COc2cccnc2)[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096219673 442090813 /nfs/dbraw/zinc/09/08/13/442090813.db2.gz BBNIWIFRLHCJSA-CXAGYDPISA-N 1 0 344.440 1.555 40 0 EDABRO Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC[NH+]1CCCC1 ZINC000096183941 442057210 /nfs/dbraw/zinc/05/72/10/442057210.db2.gz IIAZVGQMLJCTNK-CABCVRRESA-N 1 0 347.484 1.968 40 0 EDABRO O=C(C[C@]12COC[C@H]1C[N@H+](Cc1ccsc1)C2)N1CCOCC1 ZINC000096205974 442078605 /nfs/dbraw/zinc/07/86/05/442078605.db2.gz BRVJWRRNQPTJAS-WBVHZDCISA-N 1 0 336.457 1.445 40 0 EDABRO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096216716 442087383 /nfs/dbraw/zinc/08/73/83/442087383.db2.gz ABICIGKVRZZCFB-QFBILLFUSA-N 1 0 332.444 1.664 40 0 EDABRO O=C(NCC1CCOCC1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000096216809 442087699 /nfs/dbraw/zinc/08/76/99/442087699.db2.gz KLYJFVJDVDNAAO-CEXWTWQISA-N 1 0 344.455 1.676 40 0 EDABRO COCC[N@@H+]1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260351 442108371 /nfs/dbraw/zinc/10/83/71/442108371.db2.gz YJROAJUXIQTKIL-UHFFFAOYSA-N 1 0 334.464 1.333 40 0 EDABRO CN(C)C(=O)COCC[C@H]1C[N@H+](CC2CCCC2)Cc2ccnn21 ZINC000247986665 442876461 /nfs/dbraw/zinc/87/64/61/442876461.db2.gz KSYCIKUGTKSTPF-KRWDZBQOSA-N 1 0 334.464 1.925 40 0 EDABRO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000248084455 442880217 /nfs/dbraw/zinc/88/02/17/442880217.db2.gz BCNOVMQAKBJCLV-AWEZNQCLSA-N 1 0 342.443 1.756 40 0 EDABRO O=C(NCC[C@H]1CCOC12C[NH+](C1CCOCC1)C2)c1cccnc1 ZINC000247464047 442855517 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/nfs/dbraw/zinc/28/73/33/444287333.db2.gz RMXQYHQENKHFSM-QYZOEREBSA-N 1 0 331.508 1.657 40 0 EDABRO C[NH+]1CCN(CCNc2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC000329046583 444456943 /nfs/dbraw/zinc/45/69/43/444456943.db2.gz UCEJABFRCUWVJG-UHFFFAOYSA-N 1 0 332.839 1.273 40 0 EDABRO OCCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)n1 ZINC000329056027 444460336 /nfs/dbraw/zinc/46/03/36/444460336.db2.gz VQJCQUUINZLZOZ-UHFFFAOYSA-N 1 0 335.411 1.441 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccccn2)cc(-c2cccnc2)n1 ZINC000328986398 444434551 /nfs/dbraw/zinc/43/45/51/444434551.db2.gz HYFGMKAABQTQFG-UHFFFAOYSA-N 1 0 349.442 1.363 40 0 EDABRO CN(C(=O)OC(C)(C)C)C1CN([C@H](C(=[NH2+])NO)c2cccnc2)C1 ZINC000409441823 447685542 /nfs/dbraw/zinc/68/55/42/447685542.db2.gz RIEFXCIFBAFLKX-ZDUSSCGKSA-N 1 0 335.408 1.630 40 0 EDABRO COCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000585105013 448688091 /nfs/dbraw/zinc/68/80/91/448688091.db2.gz YOZMXAPATGJVJS-LJQANCHMSA-N 1 0 348.443 1.393 40 0 EDABRO Cc1snnc1C(=O)N1Cc2nccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000585110697 448691472 /nfs/dbraw/zinc/69/14/72/448691472.db2.gz VNFOFBFSPFNQPE-ZDUSSCGKSA-N 1 0 348.476 1.655 40 0 EDABRO CO[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)[C@H]1Cc1ccccc1 ZINC000585270936 448718071 /nfs/dbraw/zinc/71/80/71/448718071.db2.gz CODQKAKDUOIMPC-ROUUACIJSA-N 1 0 332.444 1.567 40 0 EDABRO Cc1cc(F)ccc1CC(=O)N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1 ZINC000585093873 448677695 /nfs/dbraw/zinc/67/76/95/448677695.db2.gz LUOXUWPFXFGCBD-MRXNPFEDSA-N 1 0 346.446 1.982 40 0 EDABRO CNc1ncc(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccc(C)cc2)cn1 ZINC000585278585 448727135 /nfs/dbraw/zinc/72/71/35/448727135.db2.gz UIQNTRZSKVRUOU-ROUUACIJSA-N 1 0 326.444 2.395 40 0 EDABRO Cc1nonc1CC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280064 448729477 /nfs/dbraw/zinc/72/94/77/448729477.db2.gz ACWGBZQDZNKRJL-RDJZCZTQSA-N 1 0 346.406 1.881 40 0 EDABRO CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291193 448735757 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1.254 40 0 EDABRO O=C(NC[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]21)c1cnccn1 ZINC000096185350 442059323 /nfs/dbraw/zinc/05/93/23/442059323.db2.gz DVJICFRSOXMRLX-INMHGKMJSA-N 1 0 342.399 1.337 40 0 EDABRO O=C(c1ccccn1)N1Cc2nccn2C[C@@H](C[NH+]2CCCC2)C1 ZINC000096188377 442065894 /nfs/dbraw/zinc/06/58/94/442065894.db2.gz CLBUZZAIYVMNIM-OAHLLOKOSA-N 1 0 325.416 1.646 40 0 EDABRO O=C(C1CCOCC1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196878 442069929 /nfs/dbraw/zinc/06/99/29/442069929.db2.gz ZEULFGIUZWSJQZ-UHFFFAOYSA-N 1 0 332.448 1.290 40 0 EDABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC000096199769 442074090 /nfs/dbraw/zinc/07/40/90/442074090.db2.gz JASIFTDDJOHLFP-INIZCTEOSA-N 1 0 343.431 1.663 40 0 EDABRO C[C@H]1C[N@H+](Cc2ccco2)C[C@@]12COCCN(Cc1nccn1C)C2 ZINC000096202392 442078878 /nfs/dbraw/zinc/07/88/78/442078878.db2.gz FCVPWAOMKBXHFF-LPHOPBHVSA-N 1 0 344.459 1.984 40 0 EDABRO Cc1cccc(CO[C@H]2COC3(C2)CCN(C(=O)C[NH+](C)C)CC3)n1 ZINC000096207994 442082951 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/nfs/dbraw/zinc/15/39/23/443153923.db2.gz YUJRURRGAMIQQI-YYIAUSFCSA-N 1 0 348.443 1.432 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140642 444287543 /nfs/dbraw/zinc/28/75/43/444287543.db2.gz UZKGBXJSARIRKO-OLZOCXBDSA-N 1 0 345.472 1.782 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2cccc(F)c2)cc(C2CC2)n1 ZINC000328967294 444426583 /nfs/dbraw/zinc/42/65/83/444426583.db2.gz CTIPATLGRORDFL-UHFFFAOYSA-N 1 0 329.423 1.923 40 0 EDABRO CN1c2ccccc2CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1=O ZINC000623180437 450437209 /nfs/dbraw/zinc/43/72/09/450437209.db2.gz FNWAALZEWZRYBL-HNNXBMFYSA-N 1 0 328.416 1.459 40 0 EDABRO C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O ZINC000514288808 448160693 /nfs/dbraw/zinc/16/06/93/448160693.db2.gz DSCHUJGCDVXTKH-GBESFXJTSA-N 1 0 346.471 1.596 40 0 biogenic,in-vitro EDABRO C[N@@H+]1C[C@@H](COCc2ccccn2)CC12CN(Cc1cn[nH]c1)C2 ZINC000585093856 448675423 /nfs/dbraw/zinc/67/54/23/448675423.db2.gz KCYUKIRVGDHIQI-HNNXBMFYSA-N 1 0 327.432 1.528 40 0 EDABRO C[N@@H+]1C[C@H](COCc2ccncc2)CC12CN(c1ncc(F)cn1)C2 ZINC000585093727 448675953 /nfs/dbraw/zinc/67/59/53/448675953.db2.gz APRPCZXGPCDEAA-OAHLLOKOSA-N 1 0 343.406 1.738 40 0 EDABRO Cn1nccc1CNC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585280508 448729469 /nfs/dbraw/zinc/72/94/69/448729469.db2.gz JQADNQWRADFZPT-KURKYZTESA-N 1 0 342.443 1.308 40 0 EDABRO Cc1cc(OC[C@@]2(O)C[N@@H+](C3CCOCC3)CC[C@@H]2O)ccc1F ZINC000585284550 448731473 /nfs/dbraw/zinc/73/14/73/448731473.db2.gz YAIYSWSBYWMIIT-ROUUACIJSA-N 1 0 339.407 1.490 40 0 EDABRO OC1(C[NH2+]C[C@@]2(O)CCN(c3ccnc4cccnc43)C2)CCCC1 ZINC000585284504 448731849 /nfs/dbraw/zinc/73/18/49/448731849.db2.gz SUCQWFGJMLVJLB-IBGZPJMESA-N 1 0 342.443 1.466 40 0 EDABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccsc1)C2 ZINC000096045448 282109220 /nfs/dbraw/zinc/10/92/20/282109220.db2.gz XPSHLFLOAABODT-CYBMUJFWSA-N 1 0 349.460 1.194 40 0 EDABRO CCOc1cc2c(cc1CN1C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]1C)OCO2 ZINC000019532426 202009790 /nfs/dbraw/zinc/00/97/90/202009790.db2.gz QQOYLYKRYYEXNW-AEGPPILISA-N 1 0 334.416 1.453 40 0 EDABRO CN(CC[NH+]1CCCCC1)C(=O)Cn1ncc2ccccc2c1=O ZINC000019656487 202014554 /nfs/dbraw/zinc/01/45/54/202014554.db2.gz YCDZXXXNPBUCLN-UHFFFAOYSA-N 1 0 328.416 1.341 40 0 EDABRO CN(CC[NH+]1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000019657473 202015266 /nfs/dbraw/zinc/01/52/66/202015266.db2.gz XVYLJSBTBLQUTB-UHFFFAOYSA-N 1 0 328.420 1.284 40 0 EDABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019593556 202015376 /nfs/dbraw/zinc/01/53/76/202015376.db2.gz SCLKXYONSMBJGZ-AWEZNQCLSA-N 1 0 344.415 1.825 40 0 EDABRO O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccs2)[C@@H]1O)c1ccccc1 ZINC000077264369 202391902 /nfs/dbraw/zinc/39/19/02/202391902.db2.gz IXEQJQDSOYOIGU-OAGGEKHMSA-N 1 0 332.425 1.396 40 0 biogenic,in-vitro EDABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH+](CC2CC2)CC2CC2)[C@@H]1O ZINC000077263691 202392150 /nfs/dbraw/zinc/39/21/50/202392150.db2.gz QMONZEBSJXCTMF-NUJGCVRESA-N 1 0 338.492 1.789 40 0 biogenic,in-vitro EDABRO Cc1ncc(CNC(=O)Cn2cc(Cl)cn2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257207184 244136171 /nfs/dbraw/zinc/13/61/71/244136171.db2.gz BGRWPBUWSZMVOP-AWEZNQCLSA-N 1 0 348.838 1.718 40 0 EDABRO Cn1cc(C(=O)N(c2ccccc2)[C@H]2COC3(C2)CC[NH2+]CC3)cn1 ZINC000257207549 244138798 /nfs/dbraw/zinc/13/87/98/244138798.db2.gz BIGFQAWGNKXHMI-QGZVFWFLSA-N 1 0 340.427 1.978 40 0 EDABRO Cn1ccnc1-c1nccnc1C[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000257224782 244199785 /nfs/dbraw/zinc/19/97/85/244199785.db2.gz FDIFZWSSCKWEGV-OAHLLOKOSA-N 1 0 340.475 1.836 40 0 EDABRO CN(C)c1cc(C[C@H]2COCC[N@H+](CCc3ccccn3)C2)ncn1 ZINC000072388309 203211871 /nfs/dbraw/zinc/21/18/71/203211871.db2.gz DMTUOJOEDKISBK-MRXNPFEDSA-N 1 0 341.459 1.671 40 0 EDABRO CNC(=O)C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257234816 244226613 /nfs/dbraw/zinc/22/66/13/244226613.db2.gz GVFLRHJWZFUPIN-INIZCTEOSA-N 1 0 330.432 1.447 40 0 EDABRO c1cc(C[N@@H+]2CCCC3(CC2)OCCO3)nc(N2CCOCC2)n1 ZINC000072348191 203203807 /nfs/dbraw/zinc/20/38/07/203203807.db2.gz RBDVVBSYYIPVAT-UHFFFAOYSA-N 1 0 334.420 1.042 40 0 EDABRO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCCC1 ZINC000072350551 203205252 /nfs/dbraw/zinc/20/52/52/203205252.db2.gz JLURXSQXUFARSW-HNNXBMFYSA-N 1 0 340.431 1.464 40 0 EDABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccccn1 ZINC000072394824 203213665 /nfs/dbraw/zinc/21/36/65/203213665.db2.gz RKJWBTBHIXKZQT-QGZVFWFLSA-N 1 0 325.412 1.976 40 0 EDABRO [NH3+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 ZINC000257254344 244277682 /nfs/dbraw/zinc/27/76/82/244277682.db2.gz KCRLTFVZSSSNLB-BRWVUGGUSA-N 1 0 344.415 1.105 40 0 EDABRO C[C@@]1(C2CC[NH+](CC(N)=O)CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257256475 244285062 /nfs/dbraw/zinc/28/50/62/244285062.db2.gz KLQQLXHXYUVELB-SFHVURJKSA-N 1 0 331.416 1.006 40 0 EDABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](Cc3cccnc3)C2)CC1 ZINC000257265027 244358562 /nfs/dbraw/zinc/35/85/62/244358562.db2.gz LWZDBNYGPAQRPN-MRXNPFEDSA-N 1 0 337.489 1.760 40 0 EDABRO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096056949 203813233 /nfs/dbraw/zinc/81/32/33/203813233.db2.gz GKVYSHUJPUYLLG-AEFFLSMTSA-N 1 0 336.432 1.756 40 0 EDABRO Cn1c2[nH]c(SCC[NH+]3CCCC3)nc2c(=S)n(C)c1=O ZINC000100132706 203990371 /nfs/dbraw/zinc/99/03/71/203990371.db2.gz KLAIFKHPSDRWRR-UHFFFAOYSA-N 1 0 325.463 1.517 40 0 in-vitro EDABRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000107228847 204228971 /nfs/dbraw/zinc/22/89/71/204228971.db2.gz ZALLUBJAVLKOLJ-AEFFLSMTSA-N 1 0 342.447 1.470 40 0 EDABRO O=C1CO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2N1Cc1cccc(F)c1 ZINC000096081656 275019059 /nfs/dbraw/zinc/01/90/59/275019059.db2.gz AHQPCKSPEOGNBT-QZTJIDSGSA-N 1 0 348.418 1.664 40 0 EDABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccccc1C ZINC000257211984 276356303 /nfs/dbraw/zinc/35/63/03/276356303.db2.gz CBKNXCOBNGERKB-AEFFLSMTSA-N 1 0 331.460 1.972 40 0 EDABRO CCS(=O)(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)CC1 ZINC000257317614 276390722 /nfs/dbraw/zinc/39/07/22/276390722.db2.gz VKMSKIUVMRSFJF-IRXDYDNUSA-N 1 0 338.473 1.220 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCO3)[C@@H]2C1 ZINC000097953567 441147195 /nfs/dbraw/zinc/14/71/95/441147195.db2.gz URSFRIJVXKJHIP-INMHGKMJSA-N 1 0 349.431 1.540 40 0 EDABRO CC(=O)N1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000072387220 441231450 /nfs/dbraw/zinc/23/14/50/441231450.db2.gz GVTVEAYXNBOVER-QGZVFWFLSA-N 1 0 330.432 1.543 40 0 EDABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497864 441257702 /nfs/dbraw/zinc/25/77/02/441257702.db2.gz VGCPWXJXJIRKQZ-GUYCJALGSA-N 1 0 338.473 1.917 40 0 EDABRO O=C(CCOC1CCOCC1)N1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000084559428 441407510 /nfs/dbraw/zinc/40/75/10/441407510.db2.gz COSXFBHPPHZKTI-RYRKJORJSA-N 1 0 336.476 1.905 40 0 EDABRO O=C(c1ccc(-n2cnnn2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000035313981 441602748 /nfs/dbraw/zinc/60/27/48/441602748.db2.gz DWKOKONQYGIUNQ-UHFFFAOYSA-N 1 0 326.404 1.363 40 0 EDABRO Cn1cc(CN2CCC[C@@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000096046980 441995056 /nfs/dbraw/zinc/99/50/56/441995056.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 1 0 328.464 1.642 40 0 EDABRO CN(C)C(=O)N1CC[N@H+](Cc2cccs2)C[C@@]2(CNC(=O)C2)C1 ZINC000096035964 441983578 /nfs/dbraw/zinc/98/35/78/441983578.db2.gz XSXMAAUMCHUTNT-MRXNPFEDSA-N 1 0 336.461 1.054 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)cn1 ZINC000096038488 441984113 /nfs/dbraw/zinc/98/41/13/441984113.db2.gz MORZTYDUPRSVRM-MRXNPFEDSA-N 1 0 330.432 1.047 40 0 EDABRO C[NH+](C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 ZINC000096039544 441985155 /nfs/dbraw/zinc/98/51/55/441985155.db2.gz VUDCCYSVOXEDQX-MJGOQNOKSA-N 1 0 347.459 1.671 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CCC2)C1 ZINC000096038777 441985631 /nfs/dbraw/zinc/98/56/31/441985631.db2.gz PNZRPLLZHPDYMS-SJLPKXTDSA-N 1 0 333.432 1.941 40 0 EDABRO O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccncc2)C1 ZINC000096041295 441987926 /nfs/dbraw/zinc/98/79/26/441987926.db2.gz QUNOLZFTACZKED-ARFHVFGLSA-N 1 0 339.399 1.490 40 0 EDABRO O=C(N1CCCC1)N1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096055189 442003801 /nfs/dbraw/zinc/00/38/01/442003801.db2.gz FIOWMKFBZLJTJF-QZTJIDSGSA-N 1 0 344.459 1.820 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cn1 ZINC000096058265 442006701 /nfs/dbraw/zinc/00/67/01/442006701.db2.gz BZRUUOHTWGHRHK-IXDOHACOSA-N 1 0 332.448 1.270 40 0 EDABRO Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)s1 ZINC000096060667 442007846 /nfs/dbraw/zinc/00/78/46/442007846.db2.gz FIKZXSJNBRLOSL-CQSZACIVSA-N 1 0 349.504 1.863 40 0 EDABRO Cn1cc([C@H]2CC(=O)NC23CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096061491 442010109 /nfs/dbraw/zinc/01/01/09/442010109.db2.gz LTAGLYCQORDFSH-MRXNPFEDSA-N 1 0 325.416 1.453 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108457 442033722 /nfs/dbraw/zinc/03/37/22/442033722.db2.gz XPIZNIPUTJVOJO-DYVFJYSZSA-N 1 0 347.440 1.923 40 0 EDABRO O=C([C@H]1C[C@@]2(CO1)CCC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000096224854 442092691 /nfs/dbraw/zinc/09/26/91/442092691.db2.gz FWTFEXKGWPOBRQ-QUCCMNQESA-N 1 0 344.455 1.917 40 0 EDABRO Cn1ccnc1CN1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1 ZINC000096224248 442092906 /nfs/dbraw/zinc/09/29/06/442092906.db2.gz ATDMDDOPHKPLTQ-IBGZPJMESA-N 1 0 345.491 1.330 40 0 EDABRO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000096158229 442047740 /nfs/dbraw/zinc/04/77/40/442047740.db2.gz JHRBPOVCHQZQNP-AZUAARDMSA-N 1 0 343.471 1.975 40 0 EDABRO C[NH+](C)CCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000096157749 442047795 /nfs/dbraw/zinc/04/77/95/442047795.db2.gz FCAJMHBNJMWZOD-UHFFFAOYSA-N 1 0 347.434 1.842 40 0 EDABRO Cc1cc(C(=O)N2Cc3nccn3C[C@@H](C[N@@H+](C)C(C)C)C2)no1 ZINC000096188325 442065676 /nfs/dbraw/zinc/06/56/76/442065676.db2.gz MIDMFALPSPFVSV-CQSZACIVSA-N 1 0 331.420 1.792 40 0 EDABRO C[NH+](C)Cc1cnc2n1CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096196797 442068601 /nfs/dbraw/zinc/06/86/01/442068601.db2.gz QFQODWUGCMOIIO-UHFFFAOYSA-N 1 0 330.407 1.711 40 0 EDABRO COCC[NH+]1CCC2(CC1)OCC(=O)N(Cc1cccc(C)n1)[C@H]2C ZINC000096201617 442076352 /nfs/dbraw/zinc/07/63/52/442076352.db2.gz XUDZMDYWTYSVLE-INIZCTEOSA-N 1 0 347.459 1.618 40 0 EDABRO COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(C(=O)C1CC=CC1)CC2 ZINC000096207623 442081931 /nfs/dbraw/zinc/08/19/31/442081931.db2.gz BDAVBGYCKFBDFT-QGZVFWFLSA-N 1 0 336.476 1.929 40 0 EDABRO CN(C)C(=O)COC[C@H]1CC2(CO1)CC[NH+](Cc1cccnc1)CC2 ZINC000096208567 442082812 /nfs/dbraw/zinc/08/28/12/442082812.db2.gz MNABQBPFVBNTTG-QGZVFWFLSA-N 1 0 347.459 1.558 40 0 EDABRO [NH3+]C1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)CC1 ZINC000096530679 442146685 /nfs/dbraw/zinc/14/66/85/442146685.db2.gz PGMLRDBOLWZBLM-UHFFFAOYSA-N 1 0 342.378 1.006 40 0 EDABRO CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(C(=O)c1cccn1C)CC2 ZINC000096230265 442097699 /nfs/dbraw/zinc/09/76/99/442097699.db2.gz VZYMOFANNARYTE-UHFFFAOYSA-N 1 0 346.475 1.430 40 0 EDABRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)nn1 ZINC000096249715 442103481 /nfs/dbraw/zinc/10/34/81/442103481.db2.gz HWHLQUJIAQGDBA-QZTJIDSGSA-N 1 0 339.443 1.907 40 0 EDABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2([NH3+])CO)cc1 ZINC000252514984 443038986 /nfs/dbraw/zinc/03/89/86/443038986.db2.gz FQJMCVYKXYCBSB-KURKYZTESA-N 1 0 331.437 1.933 40 0 EDABRO CCCS(=O)(=O)N1CC[C@@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257299342 443136736 /nfs/dbraw/zinc/13/67/36/443136736.db2.gz RPQLGOWSXOSHQN-MRXNPFEDSA-N 1 0 344.452 1.434 40 0 EDABRO CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cn1 ZINC000257311837 443142764 /nfs/dbraw/zinc/14/27/64/443142764.db2.gz ULFIBAGBAAXLMV-BZUAXINKSA-N 1 0 347.463 1.040 40 0 EDABRO OC1(c2csc(CN3CCC3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225421885 443101704 /nfs/dbraw/zinc/10/17/04/443101704.db2.gz KIWZRQXOOCMNSZ-UHFFFAOYSA-N 1 0 337.489 1.811 40 0 biogenic,in-vitro EDABRO COCC[NH+]1CCC(Cc2cnc(N3C[C@H](C)OC3=O)cn2)CC1 ZINC000257229087 443125969 /nfs/dbraw/zinc/12/59/69/443125969.db2.gz FWQKGZSMCGHALH-ZDUSSCGKSA-N 1 0 334.420 1.723 40 0 EDABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)c1 ZINC000257334445 443152029 /nfs/dbraw/zinc/15/20/29/443152029.db2.gz YFXGCWLFXWUUTO-OAHLLOKOSA-N 1 0 344.419 1.358 40 0 EDABRO c1c([C@H]2C[NH2+]CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306127880 444285675 /nfs/dbraw/zinc/28/56/75/444285675.db2.gz GJSVOESVSMGGQW-QGZVFWFLSA-N 1 0 341.459 1.527 40 0 EDABRO CC(C)n1cnc([C@H]2C[NH2+]C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141833 444287886 /nfs/dbraw/zinc/28/78/86/444287886.db2.gz WHQLDHXIBWUOKN-VQIMIIECSA-N 1 0 339.443 1.965 40 0 EDABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000328962594 444425281 /nfs/dbraw/zinc/42/52/81/444425281.db2.gz BJXPJYHYRBCGHM-ZDUSSCGKSA-N 1 0 342.443 2.403 40 0 EDABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(NCCO)n1)CC2 ZINC000329013524 444445554 /nfs/dbraw/zinc/44/55/54/444445554.db2.gz MQGBDULKCIWGBF-UHFFFAOYSA-N 1 0 344.415 1.769 40 0 EDABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000585109623 448689854 /nfs/dbraw/zinc/68/98/54/448689854.db2.gz FTOJGPWPXSHKLN-CMKODMSKSA-N 1 0 344.455 1.946 40 0 EDABRO CNC(=O)[C@@]1(C)C[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585284932 448731303 /nfs/dbraw/zinc/73/13/03/448731303.db2.gz KJYKLIFYJKNCGA-RLLQIKCJSA-N 1 0 346.471 1.912 40 0 EDABRO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cccn2-c2ccccn2)[C@@H]1OC ZINC000585290855 448735871 /nfs/dbraw/zinc/73/58/71/448735871.db2.gz IHCFMSFWZMVDBK-NUJGCVRESA-N 1 0 331.416 1.733 40 0 EDABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000585294896 448737446 /nfs/dbraw/zinc/73/74/46/448737446.db2.gz LFLFYRWGLGOOBG-NUDXDXSLSA-N 1 0 329.396 1.766 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218493523 535596251 /nfs/dbraw/zinc/59/62/51/535596251.db2.gz IFRYPRVOFPOTPI-DZKIICNBSA-N 1 0 325.430 1.268 40 0 EDABRO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000054360902 214232898 /nfs/dbraw/zinc/23/28/98/214232898.db2.gz FFXOYYSKGIJNIM-RAXLEYEMSA-N 1 0 333.413 1.401 40 0 EDABRO CCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000019657643 202014850 /nfs/dbraw/zinc/01/48/50/202014850.db2.gz XOQADAMFJIUGHQ-UHFFFAOYSA-N 1 0 328.420 1.283 40 0 EDABRO COCC[N@@H+]1CCC[C@@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 ZINC000019766301 202019304 /nfs/dbraw/zinc/01/93/04/202019304.db2.gz RCGQCUJVOWPYDA-OAHLLOKOSA-N 1 0 348.447 1.083 40 0 EDABRO CNc1cc(C)[nH+]c([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 ZINC000257204434 244130155 /nfs/dbraw/zinc/13/01/55/244130155.db2.gz AUPKSQSJJGHJSW-INIZCTEOSA-N 1 0 348.428 1.589 40 0 EDABRO COc1ccccc1[C@H]1Cn2ccnc2CN1C(=O)C1CC[NH2+]CC1 ZINC000257212031 244151909 /nfs/dbraw/zinc/15/19/09/244151909.db2.gz CBPMUMXHPTYOGB-MRXNPFEDSA-N 1 0 340.427 1.975 40 0 EDABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccccc2)C1 ZINC000072373909 203209722 /nfs/dbraw/zinc/20/97/22/203209722.db2.gz LVERKFVVUOGHJI-OAHLLOKOSA-N 1 0 341.415 1.466 40 0 EDABRO CNc1cc([C@H]2CCC[N@@H+]2CC2(O)CCN(C(C)=O)CC2)nc(C)n1 ZINC000257245293 244256249 /nfs/dbraw/zinc/25/62/49/244256249.db2.gz IOWGDKKGRGACDN-MRXNPFEDSA-N 1 0 347.463 1.337 40 0 EDABRO Cn1c(C(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)cc2cc(F)ccc21 ZINC000257235906 244229484 /nfs/dbraw/zinc/22/94/84/244229484.db2.gz HABCHLNPKUTNGP-IBGZPJMESA-N 1 0 345.418 1.990 40 0 EDABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C[NH3+])C3)n2)n1 ZINC000072360879 203205796 /nfs/dbraw/zinc/20/57/96/203205796.db2.gz QJRZMWANPNDQKW-CQSZACIVSA-N 1 0 340.431 1.897 40 0 EDABRO CNC(=O)C[NH+]1CCC2(C[C@H](N(C)c3ccc(C)cc3)CO2)CC1 ZINC000257254366 244280063 /nfs/dbraw/zinc/28/00/63/244280063.db2.gz KCTNDKQKDIMAFR-KRWDZBQOSA-N 1 0 331.460 1.801 40 0 EDABRO O=C(c1ccccn1)N1CCOC[C@]2(CC[C@@H](C[NH+]3CCCC3)O2)C1 ZINC000096063374 203815803 /nfs/dbraw/zinc/81/58/03/203815803.db2.gz TZPHTPMSNRLDIS-LPHOPBHVSA-N 1 0 345.443 1.568 40 0 EDABRO O=C(NCc1ccco1)C1=NO[C@]2(CCN(CC[NH+]3CCCC3)C2)C1 ZINC000096225884 203875624 /nfs/dbraw/zinc/87/56/24/203875624.db2.gz MMAREJGFNDWQFH-GOSISDBHSA-N 1 0 346.431 1.212 40 0 EDABRO O=C(c1cscn1)N1CCOC2(CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000107193114 204226552 /nfs/dbraw/zinc/22/65/52/204226552.db2.gz UOIPRQQVXZXYBT-CYBMUJFWSA-N 1 0 337.445 1.239 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)cn1 ZINC000107206456 204228424 /nfs/dbraw/zinc/22/84/24/204228424.db2.gz LUYJVOSCPYODNM-QYZOEREBSA-N 1 0 349.475 1.985 40 0 EDABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3cncn3C)CC2)C1 ZINC000108526799 204265577 /nfs/dbraw/zinc/26/55/77/204265577.db2.gz KFVXJWHABVBIFA-AWEZNQCLSA-N 1 0 335.452 1.205 40 0 EDABRO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108527192 204265899 /nfs/dbraw/zinc/26/58/99/204265899.db2.gz KURBIPBTYKVACL-INIZCTEOSA-N 1 0 349.479 1.513 40 0 EDABRO CS(=O)(=O)Nc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000010112045 206555429 /nfs/dbraw/zinc/55/54/29/206555429.db2.gz OABBDWJLVZJONF-UHFFFAOYSA-N 1 0 339.461 1.664 40 0 EDABRO CN(CC(N)=O)C[C@@H]1C[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000276270847 273157134 /nfs/dbraw/zinc/15/71/34/273157134.db2.gz QULCQCPWLNULGV-NSHGMRRFSA-N 1 0 345.487 1.615 40 0 EDABRO CCOC(=O)[C@H]1C[C@H]2C[C@@H]1[C@H]1Sc3c(C(=O)OC)ccc[n+]3[C@@H]12 ZINC000035326376 276294614 /nfs/dbraw/zinc/29/46/14/276294614.db2.gz XCOYIPURENTESE-FYGCWZCISA-N 1 0 334.417 1.995 40 0 EDABRO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1([NH3+])CO ZINC000218206993 276392721 /nfs/dbraw/zinc/39/27/21/276392721.db2.gz PLZZNICIVUHIIE-TUAOUCFPSA-N 1 0 334.235 1.039 40 0 EDABRO CNC(=O)C[NH+]1CCC2(CCCN(C(=O)Cc3ccsc3)C2)CC1 ZINC000096071819 290425097 /nfs/dbraw/zinc/42/50/97/290425097.db2.gz YQEBRYHWYCAJBH-UHFFFAOYSA-N 1 0 349.500 1.741 40 0 EDABRO Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000019577614 293694203 /nfs/dbraw/zinc/69/42/03/293694203.db2.gz ZXPQXXBFZWPCFA-VIFPVBQESA-N 1 0 336.408 1.658 40 0 EDABRO C[N@H+](CCCN(CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000001592895 440847589 /nfs/dbraw/zinc/84/75/89/440847589.db2.gz YHARYCPOYAZXML-UHFFFAOYSA-N 1 0 331.501 1.006 40 0 EDABRO O=C(Nc1ccccc1)[C@H]1C=C(O)NC(N2CCc3ccccc32)=[NH+]1 ZINC000002355265 440862310 /nfs/dbraw/zinc/86/23/10/440862310.db2.gz HTXTYXHXNBIXIF-OAHLLOKOSA-N 1 0 334.379 1.932 40 0 EDABRO CCn1cc(Br)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000002775173 440875430 /nfs/dbraw/zinc/87/54/30/440875430.db2.gz UMYSYTVSDANJMR-SNVBAGLBSA-N 1 0 327.226 1.586 40 0 EDABRO Cc1nn(C)cc1C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000012366128 441132297 /nfs/dbraw/zinc/13/22/97/441132297.db2.gz HYPFALCXWYDYBX-OAHLLOKOSA-N 1 0 328.416 1.694 40 0 EDABRO O=C(Nc1cccnc1)[C@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000097953536 441147839 /nfs/dbraw/zinc/14/78/39/441147839.db2.gz VUJVQSOBBSMSLU-NXHRZFHOSA-N 1 0 338.411 1.810 40 0 EDABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497863 441257752 /nfs/dbraw/zinc/25/77/52/441257752.db2.gz VGCPWXJXJIRKQZ-DYVFJYSZSA-N 1 0 338.473 1.917 40 0 EDABRO CCOC(=O)c1ccc(-c2ccc(CNCC[NH2+]CCO)o2)cc1 ZINC000038234391 441615049 /nfs/dbraw/zinc/61/50/49/441615049.db2.gz GIRPVXRQPQDROF-UHFFFAOYSA-N 1 0 332.400 1.795 40 0 EDABRO c1cnc(N2CCC[C@]3(C2)C[N@H+](CC2CCOCC2)CCO3)cn1 ZINC000096049174 441997483 /nfs/dbraw/zinc/99/74/83/441997483.db2.gz ADIGDUAVZNVRDR-GOSISDBHSA-N 1 0 332.448 1.574 40 0 EDABRO c1ccc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)nc1 ZINC000096052026 442000031 /nfs/dbraw/zinc/00/00/31/442000031.db2.gz KWMKAVWLAFKRHZ-IEBWSBKVSA-N 1 0 331.460 1.785 40 0 EDABRO Cn1cccc1C[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096038487 441984039 /nfs/dbraw/zinc/98/40/39/441984039.db2.gz YIRGTZBWBDKQTH-KRWDZBQOSA-N 1 0 329.444 1.652 40 0 EDABRO CCc1ccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCOCC3)C2)o1 ZINC000096038875 441985287 /nfs/dbraw/zinc/98/52/87/441985287.db2.gz DXTCJFPVPICYGC-RCCFBDPRSA-N 1 0 348.443 1.538 40 0 EDABRO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]2CCCO[C@H]12)c1ccnnc1 ZINC000096040667 441986865 /nfs/dbraw/zinc/98/68/65/441986865.db2.gz QJNPWQUUAYKYIJ-KSZLIROESA-N 1 0 344.459 1.876 40 0 EDABRO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O1 ZINC000096056670 442002617 /nfs/dbraw/zinc/00/26/17/442002617.db2.gz XMYFXQONUYUCQV-NUJGCVRESA-N 1 0 340.427 1.439 40 0 EDABRO C[NH+](C)C1CCN(C(=O)c2n[nH]c3c2CCN(CC2CCC2)C3)CC1 ZINC000096066668 442014129 /nfs/dbraw/zinc/01/41/29/442014129.db2.gz ODXRYPVBHLJJJT-UHFFFAOYSA-N 1 0 345.491 1.734 40 0 EDABRO Cc1cccc(CN2CCO[C@H]3C[N@H+](CC4CC4)CC[C@H]3C2=O)n1 ZINC000096107173 442030720 /nfs/dbraw/zinc/03/07/20/442030720.db2.gz DIWPGSJZCPEGGP-MSOLQXFVSA-N 1 0 329.444 1.849 40 0 EDABRO O=C(Cc1ccccn1)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158657 442047749 /nfs/dbraw/zinc/04/77/49/442047749.db2.gz QTTLCARWADPHJG-KRWDZBQOSA-N 1 0 329.444 1.870 40 0 EDABRO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000096158234 442048215 /nfs/dbraw/zinc/04/82/15/442048215.db2.gz ZWHQRVWQUIRWGC-MJGOQNOKSA-N 1 0 329.444 1.728 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C)C1 ZINC000096185674 442059433 /nfs/dbraw/zinc/05/94/33/442059433.db2.gz MSARJDVDIABEKR-PMPSAXMXSA-N 1 0 327.432 1.457 40 0 EDABRO CN(C)C(=O)COCc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000096189390 442067894 /nfs/dbraw/zinc/06/78/94/442067894.db2.gz GISQCAPUOAKJJJ-CQSZACIVSA-N 1 0 333.432 1.081 40 0 EDABRO O=c1ccc2c(n1CCn1cccn1)CC[C@H]([NH2+]C1CCOCC1)C2 ZINC000096189802 442068462 /nfs/dbraw/zinc/06/84/62/442068462.db2.gz VGBKXFBQRODEHM-KRWDZBQOSA-N 1 0 342.443 1.371 40 0 EDABRO COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202387 442079400 /nfs/dbraw/zinc/07/94/00/442079400.db2.gz BOLGGTMMNLLCDZ-QAPCUYQASA-N 1 0 333.432 1.139 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@@H]2OC ZINC000096206847 442080756 /nfs/dbraw/zinc/08/07/56/442080756.db2.gz BQKVRDIQERJHLS-XHSDSOJGSA-N 1 0 342.436 1.555 40 0 EDABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096207620 442081755 /nfs/dbraw/zinc/08/17/55/442081755.db2.gz BIHQQYNDTYTDCV-AWEZNQCLSA-N 1 0 333.498 1.004 40 0 EDABRO COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228780 442095889 /nfs/dbraw/zinc/09/58/89/442095889.db2.gz FJHQJJFXCSKMDO-HXUWFJFHSA-N 1 0 346.471 1.817 40 0 EDABRO COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228784 442095906 /nfs/dbraw/zinc/09/59/06/442095906.db2.gz OTQMDMPZBGJLSE-QGZVFWFLSA-N 1 0 338.473 1.949 40 0 EDABRO O=C(C[C@H]1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12)N1CCCCO1 ZINC000096216818 442088080 /nfs/dbraw/zinc/08/80/80/442088080.db2.gz XLPYQFGLPDLJPA-GVDBMIGSSA-N 1 0 331.416 1.473 40 0 EDABRO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12)Nc1cnccn1 ZINC000096218917 442089349 /nfs/dbraw/zinc/08/93/49/442089349.db2.gz MNSMARJRVKGLSH-FVQBIDKESA-N 1 0 339.399 1.347 40 0 EDABRO O=C1NCCN(Cc2ccccc2)C12CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096230235 442096812 /nfs/dbraw/zinc/09/68/12/442096812.db2.gz WQSAXAKGHWUVDD-QGZVFWFLSA-N 1 0 329.444 1.242 40 0 EDABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCO)CCN3C)s1 ZINC000096230096 442097554 /nfs/dbraw/zinc/09/75/54/442097554.db2.gz WNDRTDZFPFNKNN-UHFFFAOYSA-N 1 0 337.489 1.157 40 0 EDABRO c1ncc(N2CCOC[C@@]3(CCC[N@@H+](C[C@H]4CCOC4)C3)C2)cn1 ZINC000247928468 442873394 /nfs/dbraw/zinc/87/33/94/442873394.db2.gz BMMGXVROIKTCOL-SJLPKXTDSA-N 1 0 332.448 1.432 40 0 EDABRO CCCn1cc(C[N@@H+]2CCOC[C@H](Cc3cc(=O)[nH]cn3)C2)cn1 ZINC000257310583 443141746 /nfs/dbraw/zinc/14/17/46/443141746.db2.gz UFTJSZKTLPRHQT-CQSZACIVSA-N 1 0 331.420 1.480 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)CC1 ZINC000257241921 443125836 /nfs/dbraw/zinc/12/58/36/443125836.db2.gz IAFZJQOPZUYITJ-IBGZPJMESA-N 1 0 329.444 1.903 40 0 EDABRO CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CC[N@H+](C)C1 ZINC000257280901 443128205 /nfs/dbraw/zinc/12/82/05/443128205.db2.gz OMWAKZLMTJVHIH-AWEZNQCLSA-N 1 0 337.851 1.409 40 0 EDABRO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCCO)ncn1)C2 ZINC000329063901 444462376 /nfs/dbraw/zinc/46/23/76/444462376.db2.gz XGGXDEBGPGZUEC-CYBMUJFWSA-N 1 0 328.416 1.887 40 0 EDABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1CCN1CCOCC1 ZINC000503867892 448106945 /nfs/dbraw/zinc/10/69/45/448106945.db2.gz WGVQRABWCFGWLP-IRXDYDNUSA-N 1 0 333.432 1.177 40 0 EDABRO C[NH+](C)CCN1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102425 448686478 /nfs/dbraw/zinc/68/64/78/448686478.db2.gz FWRRRVKGAPYYDC-UHFFFAOYSA-N 1 0 341.471 1.381 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)cn1 ZINC000585269435 448717093 /nfs/dbraw/zinc/71/70/93/448717093.db2.gz UHFHOLKHWODTDW-SJLPKXTDSA-N 1 0 340.427 1.930 40 0 EDABRO CCOC[C@@H]1C[N@H+](C)C2(CN(C(=O)COc3ccccc3OC)C2)C1 ZINC000585093914 448676824 /nfs/dbraw/zinc/67/68/24/448676824.db2.gz PEYUCRFYMHRUNU-HNNXBMFYSA-N 1 0 348.443 1.643 40 0 EDABRO Cc1ccc(OC[C@@]2(O)C[N@H+](CC3(O)CCCC3)CC[C@@H]2O)cc1 ZINC000585283162 448731853 /nfs/dbraw/zinc/73/18/53/448731853.db2.gz QMRPVIBVISTABN-HKUYNNGSSA-N 1 0 335.444 1.477 40 0 EDABRO CC(C)CC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585289815 448734629 /nfs/dbraw/zinc/73/46/29/448734629.db2.gz KGTAXPJFAFWFDZ-ICSRJNTNSA-N 1 0 348.487 1.579 40 0 EDABRO Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290714 448736525 /nfs/dbraw/zinc/73/65/25/448736525.db2.gz UXBFPIJMQWKXSI-FILAHNMRSA-N 1 0 346.475 1.544 40 0 EDABRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 ZINC000257256736 535995435 /nfs/dbraw/zinc/99/54/35/535995435.db2.gz KMROJRQSDBDWIX-ROUUACIJSA-N 1 0 342.443 1.783 40 0 EDABRO Cc1cccc(O[C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)c1C ZINC000022517626 202086226 /nfs/dbraw/zinc/08/62/26/202086226.db2.gz XLOUDDWXIRZBMK-KRWDZBQOSA-N 1 0 333.476 1.824 40 0 EDABRO NC(=O)C[N@@H+]1CCC[C@H](Cc2ccc(Nc3ccccc3)nn2)C1 ZINC000072387250 283288681 /nfs/dbraw/zinc/28/86/81/283288681.db2.gz SYMMDRZVPVNHRI-CQSZACIVSA-N 1 0 325.416 1.960 40 0 EDABRO O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000035191188 213013612 /nfs/dbraw/zinc/01/36/12/213013612.db2.gz CWTYEUAWUBGAGR-HNNXBMFYSA-N 1 0 332.473 1.322 40 0 EDABRO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901249 242074802 /nfs/dbraw/zinc/07/48/02/242074802.db2.gz IXSDWDBVPBXLIS-OAHLLOKOSA-N 1 0 345.472 1.925 40 0 EDABRO CCOC(=O)C1[C@@H](c2c[nH]c3ccccc32)[C@H](C(=O)OCC)O[N+]1=O ZINC000003098273 201556842 /nfs/dbraw/zinc/55/68/42/201556842.db2.gz DYTXRRGYJIFRPF-UKRRQHHQSA-N 1 0 346.339 1.643 40 0 EDABRO C[NH2+]CCOc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257204744 244130991 /nfs/dbraw/zinc/13/09/91/244130991.db2.gz AWDUXIQNCDNJHY-WMZOPIPTSA-N 1 0 334.416 1.041 40 0 EDABRO CCS(=O)(=O)N1CCC(c2nnc(C3CC[NH2+]CC3)o2)CC1 ZINC000257199668 244115526 /nfs/dbraw/zinc/11/55/26/244115526.db2.gz AAKCAJSCNOZKJG-UHFFFAOYSA-N 1 0 328.438 1.066 40 0 EDABRO Cc1cc(CN(C)C(=O)[C@@H]2CN(c3ccc(F)cc3)CC[NH2+]2)no1 ZINC000257210214 244147249 /nfs/dbraw/zinc/14/72/49/244147249.db2.gz BTRHADODGYSEPL-INIZCTEOSA-N 1 0 332.379 1.559 40 0 EDABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC000257210450 244148344 /nfs/dbraw/zinc/14/83/44/244148344.db2.gz BUQVDSLWPVDPCH-QGZVFWFLSA-N 1 0 337.851 1.164 40 0 EDABRO [NH3+]CCc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000257228028 244207906 /nfs/dbraw/zinc/20/79/06/244207906.db2.gz FSAFGITUJSVYDO-QZTJIDSGSA-N 1 0 326.396 1.452 40 0 EDABRO CNC(=O)[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[N@H+](C)C1 ZINC000257235319 244225998 /nfs/dbraw/zinc/22/59/98/244225998.db2.gz GXIFTUZGORNZPO-OAHLLOKOSA-N 1 0 342.443 1.237 40 0 EDABRO CCn1cc(C(=O)NCc2cnc(CC3CC[NH+](C)CC3)cn2)cn1 ZINC000257332849 244554522 /nfs/dbraw/zinc/55/45/22/244554522.db2.gz XYYXWRZMRSTFAA-UHFFFAOYSA-N 1 0 342.447 1.507 40 0 EDABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1 ZINC000096036897 203798537 /nfs/dbraw/zinc/79/85/37/203798537.db2.gz LFWPVVJNEUSHNI-INIZCTEOSA-N 1 0 346.475 1.851 40 0 EDABRO Cc1ncc(C[N@@H+]2CCC3(CC(NC(=O)c4cccnc4)C3)C2)cn1 ZINC000108527242 204264984 /nfs/dbraw/zinc/26/49/84/204264984.db2.gz ABEAMAADCDQVCW-UHFFFAOYSA-N 1 0 337.427 1.965 40 0 EDABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])CO)cc1 ZINC000218518251 273770581 /nfs/dbraw/zinc/77/05/81/273770581.db2.gz RFIBODUCCUMGBI-FGTMMUONSA-N 1 0 331.437 1.879 40 0 EDABRO COc1ncccc1C[NH2+]C[C@H]1COCc2nc3cccnc3n21 ZINC000096112802 274170452 /nfs/dbraw/zinc/17/04/52/274170452.db2.gz RRXUBFVNFLDWKN-ZDUSSCGKSA-N 1 0 325.372 1.696 40 0 biogenic,in-vitro EDABRO CC[NH+](CC)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040587 276114992 /nfs/dbraw/zinc/11/49/92/276114992.db2.gz USNHCSKGUBMVKF-WDYCEAGBSA-N 1 0 331.460 1.972 40 0 EDABRO C[NH+](C)CCOC[C@]12CCCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000096039521 276763004 /nfs/dbraw/zinc/76/30/04/276763004.db2.gz BIKOPFBPLLYMBT-DOTOQJQBSA-N 1 0 338.427 1.569 40 0 EDABRO Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1cccs1)C2 ZINC000096045457 289171081 /nfs/dbraw/zinc/17/10/81/289171081.db2.gz RDNDGMZKAXSABJ-LBPRGKRZSA-N 1 0 349.460 1.194 40 0 EDABRO CC(C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](C(C)C)CC1 ZINC000012187088 441128671 /nfs/dbraw/zinc/12/86/71/441128671.db2.gz UVSPJEDJZCFNMD-UHFFFAOYSA-N 1 0 342.443 1.801 40 0 EDABRO CCNS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000016740479 441231534 /nfs/dbraw/zinc/23/15/34/441231534.db2.gz MFRMKFZSIHKPOJ-UHFFFAOYSA-N 1 0 339.461 1.799 40 0 EDABRO Cn1nc(NC(=S)Nc2ccccc2)[n+](Cc2ccccc2)n1 ZINC000017024930 441234670 /nfs/dbraw/zinc/23/46/70/441234670.db2.gz ARTBJVWGZRUANJ-UHFFFAOYSA-O 1 0 325.421 1.960 40 0 EDABRO O=C(CC1CCCC1)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019404463 441257707 /nfs/dbraw/zinc/25/77/07/441257707.db2.gz QZQNEFZGXXQNGP-CQSZACIVSA-N 1 0 342.447 1.600 40 0 EDABRO COCc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448567 441280373 /nfs/dbraw/zinc/28/03/73/441280373.db2.gz JUDIKQGCEGMLDA-UHFFFAOYSA-N 1 0 328.416 1.259 40 0 EDABRO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076609647 441665705 /nfs/dbraw/zinc/66/57/05/441665705.db2.gz HNCPFNHYASQUJW-JKSUJKDBSA-N 1 0 344.463 1.442 40 0 EDABRO C[C@@H]1C[N@@H+](C[C@H](O)COCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000041690184 441668326 /nfs/dbraw/zinc/66/83/26/441668326.db2.gz RETOKUOVURNNNX-LZWOXQAQSA-N 1 0 327.396 1.691 40 0 EDABRO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC000096043316 441991508 /nfs/dbraw/zinc/99/15/08/441991508.db2.gz ISJQCIMBBCITOP-CEXWTWQISA-N 1 0 346.471 1.985 40 0 EDABRO CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096047834 441995588 /nfs/dbraw/zinc/99/55/88/441995588.db2.gz JYLFCCDEUQRJFC-MRXNPFEDSA-N 1 0 333.432 1.310 40 0 EDABRO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096049488 441998423 /nfs/dbraw/zinc/99/84/23/441998423.db2.gz TXVICUOIIWFDHU-LJQANCHMSA-N 1 0 349.450 1.486 40 0 EDABRO c1cncc(CN2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052028 442000069 /nfs/dbraw/zinc/00/00/69/442000069.db2.gz QGXSIALJKWBLOP-RTBURBONSA-N 1 0 331.460 1.785 40 0 EDABRO CCOCC[N@@H+]1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@H]2C1 ZINC000096043269 441990583 /nfs/dbraw/zinc/99/05/83/441990583.db2.gz SHSGBFWAFMSQCF-JQHSSLGASA-N 1 0 347.459 1.556 40 0 EDABRO c1cncc(CO[C@@H]2CN(CC[NH+]3CCCC3)[C@@H]3CCCO[C@H]23)c1 ZINC000096065935 442013801 /nfs/dbraw/zinc/01/38/01/442013801.db2.gz GMZVZYOMNYKXCV-QRVBRYPASA-N 1 0 331.460 1.926 40 0 EDABRO Cn1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cn1 ZINC000096061685 442009792 /nfs/dbraw/zinc/00/97/92/442009792.db2.gz NLDSHTLXPICTDZ-UXHICEINSA-N 1 0 340.471 1.938 40 0 EDABRO Cc1noc(C)c1CN1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096062326 442009993 /nfs/dbraw/zinc/00/99/93/442009993.db2.gz FWSAZUCCAKYOGI-LJQANCHMSA-N 1 0 349.475 1.995 40 0 EDABRO Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)cn1 ZINC000096066224 442014807 /nfs/dbraw/zinc/01/48/07/442014807.db2.gz IZNKWJFBVLVJJQ-BHYGNILZSA-N 1 0 330.432 1.291 40 0 EDABRO Cc1nc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@H]3C2)cs1 ZINC000096080664 442022460 /nfs/dbraw/zinc/02/24/60/442022460.db2.gz ZNFPOGNWYGZEIH-HOCLYGCPSA-N 1 0 328.441 1.937 40 0 EDABRO c1cc(C[N@H+]2CCc3nnc(COc4ncccn4)n3CC2)cs1 ZINC000096084581 442024944 /nfs/dbraw/zinc/02/49/44/442024944.db2.gz ORIYXSAHGMYTBH-UHFFFAOYSA-N 1 0 342.428 1.767 40 0 EDABRO O=C1[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2OCCN1Cc1cccnc1 ZINC000096107095 442030287 /nfs/dbraw/zinc/03/02/87/442030287.db2.gz JHYPFRVCGGUSIM-MSOLQXFVSA-N 1 0 341.411 1.924 40 0 EDABRO Cn1cccc1C(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000096108438 442031523 /nfs/dbraw/zinc/03/15/23/442031523.db2.gz HJXZZAPNOREADC-APWZRJJASA-N 1 0 340.427 1.299 40 0 EDABRO O=C(Cc1ccccc1F)N1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107994 442032339 /nfs/dbraw/zinc/03/23/39/442032339.db2.gz NYFZJAOYZUHMLY-FUHWJXTLSA-N 1 0 332.419 1.937 40 0 EDABRO COCCNC(=O)[C@@H]1CCC2(CC[NH+](Cc3cccc(C)n3)CC2)O1 ZINC000096111125 442036023 /nfs/dbraw/zinc/03/60/23/442036023.db2.gz ZWSJOEVELYYVIV-KRWDZBQOSA-N 1 0 347.459 1.666 40 0 EDABRO CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000096185647 442059261 /nfs/dbraw/zinc/05/92/61/442059261.db2.gz PUJSWKMAORKMHL-SQNIBIBYSA-N 1 0 340.431 1.185 40 0 EDABRO Cc1ccc(CN2Cc3ccnn3C[C@@H](C(=O)NCC[NH+](C)C)C2)o1 ZINC000096188837 442067310 /nfs/dbraw/zinc/06/73/10/442067310.db2.gz WENSYPLULXFFQP-HNNXBMFYSA-N 1 0 345.447 1.094 40 0 EDABRO Cc1ccc(NCc2cnc3n2CC[N@@H+](C[C@H]2CCOC2)CC3)nn1 ZINC000096197136 442070023 /nfs/dbraw/zinc/07/00/23/442070023.db2.gz UABXYRDJIBIDEQ-OAHLLOKOSA-N 1 0 342.447 1.488 40 0 EDABRO O=C1COC2(CC[NH+](Cc3ccccn3)CC2)CN1c1cccnc1 ZINC000096201437 442076193 /nfs/dbraw/zinc/07/61/93/442076193.db2.gz WKOBOUDDKDMLBD-UHFFFAOYSA-N 1 0 338.411 1.875 40 0 EDABRO Cn1nccc1C(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208209 442083915 /nfs/dbraw/zinc/08/39/15/442083915.db2.gz QCYQMOZENLNINP-INIZCTEOSA-N 1 0 346.475 1.916 40 0 EDABRO C[NH+](C)CC(=O)N1CCC2(C[C@@H](OCc3ccncc3)CO2)CC1 ZINC000096209586 442084854 /nfs/dbraw/zinc/08/48/54/442084854.db2.gz AHAGRAOAZILBLG-MRXNPFEDSA-N 1 0 333.432 1.310 40 0 EDABRO COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)nc1)CC[C@@H]2OC ZINC000096209378 442084961 /nfs/dbraw/zinc/08/49/61/442084961.db2.gz RDDFOIJJFSDLQR-BBWFWOEESA-N 1 0 333.432 1.198 40 0 EDABRO O=C(c1ccco1)N1CC[C@@H]2C[N@@H+](C3CCOCC3)CCO[C@@H]2C1 ZINC000096249671 442103041 /nfs/dbraw/zinc/10/30/41/442103041.db2.gz FBZHCEBNGHNPGE-RHSMWYFYSA-N 1 0 334.416 1.622 40 0 EDABRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC000247865292 442870439 /nfs/dbraw/zinc/87/04/39/442870439.db2.gz ARRYSNRQDNUHPZ-WMZOPIPTSA-N 1 0 340.427 1.823 40 0 EDABRO CN(C)C(=O)COC[C@@H]1C[N@H+](CCc2ccccc2)Cc2cncn21 ZINC000248014659 442877074 /nfs/dbraw/zinc/87/70/74/442877074.db2.gz QAJLICXMEBBCST-SFHVURJKSA-N 1 0 342.443 1.587 40 0 EDABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(F)cc1 ZINC000252515977 443039983 /nfs/dbraw/zinc/03/99/83/443039983.db2.gz PACMMUHJVBRHGH-UMVBOHGHSA-N 1 0 329.393 1.234 40 0 EDABRO Cc1c[nH]c([C@@H]2COCCN2C(=O)CC[N@@H+](C)Cc2ccccn2)n1 ZINC000257200352 443124558 /nfs/dbraw/zinc/12/45/58/443124558.db2.gz ACYFDEAVOAKEKK-INIZCTEOSA-N 1 0 343.431 1.535 40 0 EDABRO CNC(=O)C[NH+]1CCC2(C[C@@H](N(C)c3ccc(C)cc3)CO2)CC1 ZINC000257254367 443127054 /nfs/dbraw/zinc/12/70/54/443127054.db2.gz KCTNDKQKDIMAFR-QGZVFWFLSA-N 1 0 331.460 1.801 40 0 EDABRO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1C(=O)CCOc1ccccc1 ZINC000257284908 443130614 /nfs/dbraw/zinc/13/06/14/443130614.db2.gz PEUUMPUJAOGUJW-INIZCTEOSA-N 1 0 333.432 1.123 40 0 EDABRO CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccoc2)CC1 ZINC000306133315 444285955 /nfs/dbraw/zinc/28/59/55/444285955.db2.gz MIDYZRUWCLDEEV-UHFFFAOYSA-N 1 0 343.431 1.849 40 0 EDABRO CC(C)CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289144 448160287 /nfs/dbraw/zinc/16/02/87/448160287.db2.gz IPWCQPOQFDGYEH-RTBURBONSA-N 1 0 329.488 1.648 40 0 biogenic,in-vitro EDABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O ZINC000514288943 448160448 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1.845 40 0 EDABRO O=C(CCn1ccc2ccncc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000012144265 526674220 /nfs/dbraw/zinc/67/42/20/526674220.db2.gz PRZVIWLXSHTWBN-INIZCTEOSA-N 1 0 342.443 1.607 40 0 EDABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1 ZINC000225915563 535906551 /nfs/dbraw/zinc/90/65/51/535906551.db2.gz XGHGRHUUMLIBOY-UHFFFAOYSA-N 1 0 337.420 1.750 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2CC2(O)CCN(C(C)=O)CC2)cc1 ZINC000257203682 536944461 /nfs/dbraw/zinc/94/44/61/536944461.db2.gz ARCIPUJNCGCIBB-GOSISDBHSA-N 1 0 347.459 1.015 40 0 EDABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2nc(C)cc2C)cc1 ZINC000257273198 536944527 /nfs/dbraw/zinc/94/45/27/536944527.db2.gz NFQABUMVKVOGCE-QGZVFWFLSA-N 1 0 328.416 1.682 40 0 EDABRO COCCC(=O)N1CCC(c2nc([C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)CC1 ZINC000019593109 202015575 /nfs/dbraw/zinc/01/55/75/202015575.db2.gz RMOVZMBFPGBPKJ-CQSZACIVSA-N 1 0 348.447 1.392 40 0 EDABRO CN(C)Cc1cc(C2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)nn1C ZINC000019710237 202017460 /nfs/dbraw/zinc/01/74/60/202017460.db2.gz DMTOBOIEVOUGQC-HNNXBMFYSA-N 1 0 333.480 1.187 40 0 EDABRO C[N@@H+]1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096208666 283261838 /nfs/dbraw/zinc/26/18/38/283261838.db2.gz JYPBYLSGIRMASO-HNNXBMFYSA-N 1 0 342.505 1.834 40 0 EDABRO CCOC(=O)N1C(C)(C)CC([NH2+][C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000217356870 241245660 /nfs/dbraw/zinc/24/56/60/241245660.db2.gz KSMFADAZZKPSQG-LBPRGKRZSA-N 1 0 346.493 1.941 40 0 EDABRO CN(C)C(=O)[C@@H]1CN(C)CC[N@H+](CCCOc2ccccc2F)C1 ZINC000257211765 244155111 /nfs/dbraw/zinc/15/51/11/244155111.db2.gz CAHMECWFWYGJIJ-OAHLLOKOSA-N 1 0 337.439 1.546 40 0 EDABRO CNC(=O)CCc1cc(C)nc(C2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000072382858 203210937 /nfs/dbraw/zinc/21/09/37/203210937.db2.gz ZOXQWKFSZMFVPZ-UHFFFAOYSA-N 1 0 346.475 1.336 40 0 EDABRO C[NH+](C)CC(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257237007 244231655 /nfs/dbraw/zinc/23/16/55/244231655.db2.gz HEURLMFQOWWWPQ-UHFFFAOYSA-N 1 0 340.431 1.883 40 0 EDABRO Cn1cc(C(=O)N2CCC[C@@H]2c2cncc(C[NH+]3CCCC3)n2)cn1 ZINC000072387941 203212646 /nfs/dbraw/zinc/21/26/46/203212646.db2.gz XFHBTYYEZGLJRJ-QGZVFWFLSA-N 1 0 340.431 1.783 40 0 EDABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](CCOC)C3)n2)ncn1 ZINC000072377556 203208465 /nfs/dbraw/zinc/20/84/65/203208465.db2.gz TTWGTQNMRMMGEN-ZDUSSCGKSA-N 1 0 343.435 1.878 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1O ZINC000257251886 244271316 /nfs/dbraw/zinc/27/13/16/244271316.db2.gz JSSFGPFHVYYYBG-IAGOWNOFSA-N 1 0 346.406 1.116 40 0 EDABRO O=c1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)nc(N2CCCC2)[nH]1 ZINC000072394663 203213479 /nfs/dbraw/zinc/21/34/79/203213479.db2.gz BAYIBDOCVIXFOD-OAHLLOKOSA-N 1 0 325.416 1.755 40 0 EDABRO O=c1cc([C@H]2CC[N@H+](Cc3ccncc3)C2)nc(N2CCCC2)[nH]1 ZINC000072394664 203214102 /nfs/dbraw/zinc/21/41/02/203214102.db2.gz ODMMFOBTKVRYEB-HNNXBMFYSA-N 1 0 325.416 1.755 40 0 EDABRO Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](CCC(N)=O)CC3)cc1 ZINC000257289867 244432682 /nfs/dbraw/zinc/43/26/82/244432682.db2.gz QANDUSPBQVOJBF-QGZVFWFLSA-N 1 0 331.460 1.930 40 0 EDABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](CC3CC3)CC2)O1)N1CCCC1 ZINC000096036850 203798757 /nfs/dbraw/zinc/79/87/57/203798757.db2.gz KRINTJCWVNRXNZ-MRXNPFEDSA-N 1 0 344.459 1.605 40 0 EDABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)cc1 ZINC000096107868 203836174 /nfs/dbraw/zinc/83/61/74/203836174.db2.gz JDJHEVLMUAGTAP-DLBZAZTESA-N 1 0 338.473 1.668 40 0 EDABRO Cc1ccc(C(=O)N2CCn3cc(C[NH+]4CCCC4)nc3C2)cn1 ZINC000096067964 203820747 /nfs/dbraw/zinc/82/07/47/203820747.db2.gz IMENCMYJEMVSMW-UHFFFAOYSA-N 1 0 325.416 1.838 40 0 EDABRO c1ccc(CC[NH2+]C[C@@H]2Cn3nnc(-c4cncnc4)c3CO2)cc1 ZINC000096199265 203861565 /nfs/dbraw/zinc/86/15/65/203861565.db2.gz ZLKCPZPFDZSZKE-MRXNPFEDSA-N 1 0 336.399 1.466 40 0 EDABRO Cc1ncc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cn1 ZINC000108529885 204264919 /nfs/dbraw/zinc/26/49/19/204264919.db2.gz CFLOKSBTWRUUSU-IEBWSBKVSA-N 1 0 344.459 1.636 40 0 EDABRO COCCN1CC[C@]2(C[N@@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201888 285061265 /nfs/dbraw/zinc/06/12/65/285061265.db2.gz FVUAUXBRUIFVMI-CMKODMSKSA-N 1 0 344.455 1.740 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2 ZINC000306143153 257925101 /nfs/dbraw/zinc/92/51/01/257925101.db2.gz XUSFEMOHOYTHDF-NEPJUHHUSA-N 1 0 346.460 1.177 40 0 EDABRO O=C1N(CCO)c2ccccc2C12CC[NH+](C1CCOCC1)CC2 ZINC000096078924 275021401 /nfs/dbraw/zinc/02/14/01/275021401.db2.gz ZREDJGJJPRRNFE-UHFFFAOYSA-N 1 0 330.428 1.538 40 0 EDABRO C[NH+](C)CCO[C@H]1CN(C(=O)c2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096187024 276762935 /nfs/dbraw/zinc/76/29/35/276762935.db2.gz RWWGNMKDFVAUDS-IKGGRYGDSA-N 1 0 336.407 1.776 40 0 EDABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978134 277203551 /nfs/dbraw/zinc/20/35/51/277203551.db2.gz KIAYRNFCCBEVHG-IUODEOHRSA-N 1 0 326.418 1.455 40 0 EDABRO Cc1ncc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)c(C)n1 ZINC000012203843 441129310 /nfs/dbraw/zinc/12/93/10/441129310.db2.gz BMFGHLHYMUPICH-HNNXBMFYSA-N 1 0 342.399 1.855 40 0 EDABRO CC(C)C(=O)N1CC[N@H+](Cc2cccs2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000097952743 441147812 /nfs/dbraw/zinc/14/78/12/441147812.db2.gz PEFFPHAECLPPDW-GOSISDBHSA-N 1 0 349.500 1.897 40 0 EDABRO O=C(C[C@H]1C=CCC1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019404455 441257331 /nfs/dbraw/zinc/25/73/31/441257331.db2.gz MFAMTUZWEJBYPE-KBPBESRZSA-N 1 0 340.431 1.376 40 0 EDABRO COc1ccc(C[N@@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)C[C@H]3C2)cc1 ZINC000019713044 441259912 /nfs/dbraw/zinc/25/99/12/441259912.db2.gz OLDNWKFDLIUBRQ-IEBWSBKVSA-N 1 0 345.443 1.254 40 0 EDABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 ZINC000035426017 441604314 /nfs/dbraw/zinc/60/43/14/441604314.db2.gz WIIKVXTTXORRMM-ZDUSSCGKSA-N 1 0 329.408 1.340 40 0 biogenic,in-vitro EDABRO Cn1nnc2c1CCN(C(=O)C[NH+](C)C)[C@@H]2COCc1ccccc1 ZINC000096045327 441993625 /nfs/dbraw/zinc/99/36/25/441993625.db2.gz NYXAMGVXLHPTGN-MRXNPFEDSA-N 1 0 343.431 1.019 40 0 EDABRO O=C(Nc1cccnc1)[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096038622 441984080 /nfs/dbraw/zinc/98/40/80/441984080.db2.gz DJECTIPYJXQANP-BPLDGKMQSA-N 1 0 344.440 1.871 40 0 EDABRO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000096039768 441987178 /nfs/dbraw/zinc/98/71/78/441987178.db2.gz ACFILNLZVNGTLO-MJGOQNOKSA-N 1 0 347.459 1.558 40 0 EDABRO O=C(NCc1cccnc1)[C@H]1C[N@H+](Cc2ccoc2)C[C@H]2OCC[C@H]21 ZINC000096041173 441987825 /nfs/dbraw/zinc/98/78/25/441987825.db2.gz ZEWZDUUTZMTBLZ-OKZBNKHCSA-N 1 0 341.411 1.828 40 0 EDABRO Cc1ccc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)o1 ZINC000096041157 441988065 /nfs/dbraw/zinc/98/80/65/441988065.db2.gz IGVMCGCQDUJPAD-YESZJQIVSA-N 1 0 334.416 1.284 40 0 EDABRO Cc1cccc(S(=O)(=O)N2CCC3(C[C@H]([NH+](C)C)CO3)CC2)c1 ZINC000096063055 442010749 /nfs/dbraw/zinc/01/07/49/442010749.db2.gz SMCUEYWVMRUULD-HNNXBMFYSA-N 1 0 338.473 1.869 40 0 EDABRO CN(Cc1cncnc1)[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096064584 442012680 /nfs/dbraw/zinc/01/26/80/442012680.db2.gz YCPISRPEAFXUTA-KURKYZTESA-N 1 0 328.416 1.933 40 0 EDABRO Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)n1 ZINC000096108707 442033638 /nfs/dbraw/zinc/03/36/38/442033638.db2.gz MDYDJEBKZIOBLB-CJNGLKHVSA-N 1 0 339.461 1.005 40 0 EDABRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1 ZINC000096111593 442035770 /nfs/dbraw/zinc/03/57/70/442035770.db2.gz HCQPCNZZHRLRSU-NUJGCVRESA-N 1 0 334.460 1.765 40 0 biogenic,in-vitro EDABRO CCN(C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079412865 442045495 /nfs/dbraw/zinc/04/54/95/442045495.db2.gz HKVZWUWLLAEFQS-HOCLYGCPSA-N 1 0 333.432 1.841 40 0 EDABRO Cc1ccc(CC(=O)N2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1 ZINC000096160230 442050676 /nfs/dbraw/zinc/05/06/76/442050676.db2.gz HRCOIRBEOGWCBG-UYAOXDASSA-N 1 0 346.471 1.876 40 0 EDABRO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)o3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185174 442059217 /nfs/dbraw/zinc/05/92/17/442059217.db2.gz AHOJYGPSGQOXKF-YJBOKZPZSA-N 1 0 336.432 1.833 40 0 EDABRO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1 ZINC000096186215 442061109 /nfs/dbraw/zinc/06/11/09/442061109.db2.gz WWGOXDYISZBHKF-IAGOWNOFSA-N 1 0 347.434 1.522 40 0 EDABRO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(C)noc2C)O1 ZINC000096186943 442063852 /nfs/dbraw/zinc/06/38/52/442063852.db2.gz HYYVOEYLLDKULC-OAGGEKHMSA-N 1 0 337.420 1.176 40 0 EDABRO Cc1cccc(CN2Cc3nccn3C[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000096188504 442065443 /nfs/dbraw/zinc/06/54/43/442065443.db2.gz CPAYJKKXVQLRFW-QGZVFWFLSA-N 1 0 341.459 1.551 40 0 EDABRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096188203 442065951 /nfs/dbraw/zinc/06/59/51/442065951.db2.gz MDJBIOLULNOYMY-OAHLLOKOSA-N 1 0 328.416 1.805 40 0 EDABRO O=C(CC1CC1)NCc1cnc2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096197049 442069808 /nfs/dbraw/zinc/06/98/08/442069808.db2.gz BOYLRYSAVFOVFN-HNNXBMFYSA-N 1 0 332.448 1.194 40 0 EDABRO C[N@@H+]1CC[C@@]2(C1)COCCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096201962 442077410 /nfs/dbraw/zinc/07/74/10/442077410.db2.gz CFOFFHYBVCRBMI-HNNXBMFYSA-N 1 0 328.409 1.169 40 0 EDABRO CCOCC(=O)N1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202189 442078262 /nfs/dbraw/zinc/07/82/62/442078262.db2.gz RFFUXJDDOSLWJX-KRWDZBQOSA-N 1 0 338.473 1.836 40 0 EDABRO O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096206817 442080619 /nfs/dbraw/zinc/08/06/19/442080619.db2.gz BCDRRPHGLXZOBT-IAQYHMDHSA-N 1 0 330.375 1.028 40 0 EDABRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccn4)C3)O2)CC1 ZINC000096209136 442084703 /nfs/dbraw/zinc/08/47/03/442084703.db2.gz MHBUJAZQPYTEEC-SJLPKXTDSA-N 1 0 331.464 1.242 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(S(C)(=O)=O)C2 ZINC000096215480 442087418 /nfs/dbraw/zinc/08/74/18/442087418.db2.gz YMIPSQARRLINOF-HNNXBMFYSA-N 1 0 327.450 1.539 40 0 EDABRO CC(C)NC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1 ZINC000096217582 442088016 /nfs/dbraw/zinc/08/80/16/442088016.db2.gz RFMBORFXIIQKKS-HDMKZQKVSA-N 1 0 346.427 1.919 40 0 EDABRO CC[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccncn3)C2)C1 ZINC000096217891 442089456 /nfs/dbraw/zinc/08/94/56/442089456.db2.gz MKPUAALUCCNXMD-QFBILLFUSA-N 1 0 344.459 1.687 40 0 EDABRO CCc1cnc(N2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC(C)C)nc1 ZINC000096230261 442096919 /nfs/dbraw/zinc/09/69/19/442096919.db2.gz QEZSZZSJVZWZDQ-UHFFFAOYSA-N 1 0 345.491 1.808 40 0 EDABRO Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccccc4)C3)N(C)CC2=O)cn1 ZINC000096230536 442097302 /nfs/dbraw/zinc/09/73/02/442097302.db2.gz DHQJASZGVXDVEK-LJQANCHMSA-N 1 0 339.443 1.343 40 0 EDABRO COC(=O)CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC000096245461 442102028 /nfs/dbraw/zinc/10/20/28/442102028.db2.gz RABHZDVKGUUOHM-GJZGRUSLSA-N 1 0 334.391 1.669 40 0 EDABRO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)CC1 ZINC000257244433 443125542 /nfs/dbraw/zinc/12/55/42/443125542.db2.gz ILHFDWFUDMBMOP-FRFSOERESA-N 1 0 344.459 1.991 40 0 EDABRO 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CCCCCOC[C@@H](O)CNCC[NH2+]C[C@H](O)COCCCCC ZINC000022584280 202087983 /nfs/dbraw/zinc/08/79/83/202087983.db2.gz PSPSDCDWUSVNRF-ROUUACIJSA-N 1 0 348.528 1.301 40 0 EDABRO c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)nc(N2CCCC2)n1 ZINC000036741515 202330924 /nfs/dbraw/zinc/33/09/24/202330924.db2.gz OFRYJYDNBNQRGR-KRWDZBQOSA-N 1 0 345.491 1.621 40 0 EDABRO CCOc1ccc(Br)cc1CNCC[NH2+]C[C@H](C)O ZINC000022075947 212277264 /nfs/dbraw/zinc/27/72/64/212277264.db2.gz LXLVXDFEYQTQCG-NSHDSACASA-N 1 0 331.254 1.908 40 0 EDABRO c1cnc(OCC[C@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)cn1 ZINC000253588819 244029208 /nfs/dbraw/zinc/02/92/08/244029208.db2.gz UNJXTCGDIKOIKL-HNNXBMFYSA-N 1 0 333.432 1.906 40 0 EDABRO Cc1ncc(-c2cncc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)n1C ZINC000257211310 244149377 /nfs/dbraw/zinc/14/93/77/244149377.db2.gz BYKSRINDUUFZSS-CQSZACIVSA-N 1 0 342.447 1.453 40 0 EDABRO Cc1cnc(C(=O)NCc2nccnc2C2CC[NH+](C)CC2)cn1 ZINC000257229736 244210015 /nfs/dbraw/zinc/21/00/15/244210015.db2.gz 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COc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)ccc1NC(C)=O ZINC000004171054 440912814 /nfs/dbraw/zinc/91/28/14/440912814.db2.gz DPJAGCOPIZASHB-UHFFFAOYSA-N 1 0 347.400 1.583 40 0 EDABRO COc1ccc(-c2ccc(=O)n(CC3(O)C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000012328958 441130508 /nfs/dbraw/zinc/13/05/08/441130508.db2.gz SGVXZVMFSRFPEU-RTHVDDQRSA-N 1 0 341.411 1.564 40 0 EDABRO Cn1cncc1C[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108525507 441459202 /nfs/dbraw/zinc/45/92/02/441459202.db2.gz MGADSNVINHDKGA-GDBMZVCRSA-N 1 0 338.402 1.890 40 0 EDABRO Nc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000031343311 441523160 /nfs/dbraw/zinc/52/31/60/441523160.db2.gz HREXQHZXEKRKSY-SFHVURJKSA-N 1 0 327.428 1.831 40 0 EDABRO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCOCC3)C[C@H]21 ZINC000096043370 441992843 /nfs/dbraw/zinc/99/28/43/441992843.db2.gz FVUVLVDKHBXYJI-FGTMMUONSA-N 1 0 345.443 1.926 40 0 EDABRO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096039764 441984797 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40 0 EDABRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CCOCC2)C1)N1CCCCO1 ZINC000096057685 442005724 /nfs/dbraw/zinc/00/57/24/442005724.db2.gz FBZWMIIAQPFHTN-GVDBMIGSSA-N 1 0 338.448 1.446 40 0 EDABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)o1 ZINC000096056400 442003408 /nfs/dbraw/zinc/00/34/08/442003408.db2.gz NCWUZGHIRGPCOX-BRWVUGGUSA-N 1 0 336.432 1.815 40 0 EDABRO Cc1ccc(C[N@H+]2C[C@@H](NS(C)(=O)=O)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057114 442004356 /nfs/dbraw/zinc/00/43/56/442004356.db2.gz WPOCUZIDFDGRIS-CFVMTHIKSA-N 1 0 344.502 1.585 40 0 EDABRO CC(C)[N@@H+]1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cnccn3)CC[C@@H]21 ZINC000096064368 442013247 /nfs/dbraw/zinc/01/32/47/442013247.db2.gz MTQLCDXGIRYGNY-VYDXJSESSA-N 1 0 331.464 1.352 40 0 EDABRO Cn1ccnc1CN1CC[C@]2(C1)COCC[N@H+](CC1CCOCC1)C2 ZINC000096062380 442010942 /nfs/dbraw/zinc/01/09/42/442010942.db2.gz OGDHHKOMVIKGIM-LJQANCHMSA-N 1 0 348.491 1.371 40 0 EDABRO C[NH+](C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3cccs3)C2)O1 ZINC000096063338 442011122 /nfs/dbraw/zinc/01/11/22/442011122.db2.gz YYJCYROHAKEEQE-YOEHRIQHSA-N 1 0 338.473 1.629 40 0 EDABRO COCCNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1nc(C)cs1)C2 ZINC000096064834 442012990 /nfs/dbraw/zinc/01/29/90/442012990.db2.gz WLLTYYCHXVAIGJ-CZUORRHYSA-N 1 0 339.461 1.195 40 0 EDABRO C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)c1cccs1)CC2 ZINC000096067736 442016587 /nfs/dbraw/zinc/01/65/87/442016587.db2.gz FZSGZXPAJOZPEP-UHFFFAOYSA-N 1 0 345.468 1.712 40 0 EDABRO CO[C@H]1CCN(C(=O)c2ncccn2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096109509 442034563 /nfs/dbraw/zinc/03/45/63/442034563.db2.gz DYSPNQJUWSCPAR-XHSDSOJGSA-N 1 0 342.399 1.431 40 0 EDABRO C[NH+](C)CC(=O)N1CCOC[C@H]1c1nccc(Nc2ccccc2)n1 ZINC000096220315 442091968 /nfs/dbraw/zinc/09/19/68/442091968.db2.gz WMFYWPKAMQMRMB-HNNXBMFYSA-N 1 0 341.415 1.682 40 0 EDABRO CN(C)C(=O)C[C@@H]1C[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1 ZINC000096220415 442092073 /nfs/dbraw/zinc/09/20/73/442092073.db2.gz FCBNUXDPYRNXHK-GRDNDAEWSA-N 1 0 332.400 1.483 40 0 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COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1F ZINC000173088440 442602032 /nfs/dbraw/zinc/60/20/32/442602032.db2.gz DXYXPKSHJVBIPC-UHFFFAOYSA-N 1 0 330.425 1.845 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12)c1cccnc1 ZINC000247423537 442852588 /nfs/dbraw/zinc/85/25/88/442852588.db2.gz RWYWVMVWMIEKCH-KZNAEPCWSA-N 1 0 345.443 1.185 40 0 EDABRO COc1ccccc1OCC(=O)N1C[C@H]2OC[C@@H](C[NH+](C)C)[C@H]2C1 ZINC000248048712 442879138 /nfs/dbraw/zinc/87/91/38/442879138.db2.gz WYZCXKMPLDNZPM-CKEIUWERSA-N 1 0 334.416 1.109 40 0 EDABRO CN(C)c1cc(N2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)ncn1 ZINC000248153162 442884478 /nfs/dbraw/zinc/88/44/78/442884478.db2.gz YHQCTANHABRTIE-OAHLLOKOSA-N 1 0 331.464 1.624 40 0 EDABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)C[NH3+])cc1 ZINC000252513927 443039435 /nfs/dbraw/zinc/03/94/35/443039435.db2.gz AXBGAARAMWESOR-GVDBMIGSSA-N 1 0 334.416 1.730 40 0 EDABRO Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)c1 ZINC000257290419 443133345 /nfs/dbraw/zinc/13/33/45/443133345.db2.gz QCWPCNPQXDQZSL-DLBZAZTESA-N 1 0 329.444 1.826 40 0 EDABRO Cc1cn([C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccc3)[C@H]2O)c(=O)[nH]c1=O ZINC000257309921 443141203 /nfs/dbraw/zinc/14/12/03/443141203.db2.gz UCXRKYCDRSXHMB-BRWVUGGUSA-N 1 0 343.427 1.844 40 0 EDABRO Cn1cccc1C(=O)N1CC[C@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000257316494 443144193 /nfs/dbraw/zinc/14/41/93/443144193.db2.gz VFWJWNORKYPASS-IBGZPJMESA-N 1 0 345.418 1.873 40 0 EDABRO NC(=O)CC[N@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257317362 443144619 /nfs/dbraw/zinc/14/46/19/443144619.db2.gz VJLXCORKXLUNJV-PMPSAXMXSA-N 1 0 333.407 1.875 40 0 EDABRO C[NH2+]CCOc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257217298 443124606 /nfs/dbraw/zinc/12/46/06/443124606.db2.gz CYJXMPFAAGXATD-WMZOPIPTSA-N 1 0 334.416 1.041 40 0 EDABRO O=C(CCCn1cccn1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257269031 443126658 /nfs/dbraw/zinc/12/66/58/443126658.db2.gz MOGSWODUHYLXKE-JFIYKMOQSA-N 1 0 334.464 1.547 40 0 EDABRO COC(=O)N1Cc2nnc(C)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306124909 444285127 /nfs/dbraw/zinc/28/51/27/444285127.db2.gz CBYQJEBUMBNKJB-UHFFFAOYSA-N 1 0 345.403 1.753 40 0 EDABRO C[N@@H+]1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100504 448685059 /nfs/dbraw/zinc/68/50/59/448685059.db2.gz LMMPIYONSLUNOC-LJQANCHMSA-N 1 0 329.444 1.893 40 0 EDABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000585102839 448686755 /nfs/dbraw/zinc/68/67/55/448686755.db2.gz KITFODNCTAEYGT-DOEOUOAPSA-N 1 0 334.460 1.086 40 0 EDABRO Cn1ccc(CC(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)n1 ZINC000585103276 448686968 /nfs/dbraw/zinc/68/69/68/448686968.db2.gz UBLRXSLDMAJZAU-QFBILLFUSA-N 1 0 346.475 1.170 40 0 EDABRO CCCS(=O)(=O)N1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585111780 448692160 /nfs/dbraw/zinc/69/21/60/448692160.db2.gz BSIHYCXKXPXOPY-HNNXBMFYSA-N 1 0 326.466 1.466 40 0 EDABRO Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1C[NH+]1CCCC1 ZINC000585097507 448682660 /nfs/dbraw/zinc/68/26/60/448682660.db2.gz MNUHZKJQRHEJJU-AWEZNQCLSA-N 1 0 329.404 1.690 40 0 EDABRO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)CC2 ZINC000585100738 448684867 /nfs/dbraw/zinc/68/48/67/448684867.db2.gz VAVGYSLBCILOCC-INIZCTEOSA-N 1 0 328.478 1.288 40 0 EDABRO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](C3CCOCC3)CC[C@@H]2O)c1C ZINC000585287189 448732432 /nfs/dbraw/zinc/73/24/32/448732432.db2.gz KIXLFFBEHVSRPU-ICSRJNTNSA-N 1 0 349.471 1.967 40 0 EDABRO CC[NH+](CC)C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O ZINC000585285582 448732709 /nfs/dbraw/zinc/73/27/09/448732709.db2.gz LDDKDGLZCYDTPX-MJGOQNOKSA-N 1 0 334.460 1.285 40 0 EDABRO CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000257254989 534780482 /nfs/dbraw/zinc/78/04/82/534780482.db2.gz KFQXNCYFVHMGCR-GOSISDBHSA-N 1 0 329.444 1.760 40 0 EDABRO Cc1cc2nccc(C3CC[NH+](CC4(O)CCOCC4)CC3)n2n1 ZINC000257229007 525682436 /nfs/dbraw/zinc/68/24/36/525682436.db2.gz FWFFOCZPXOGQBW-UHFFFAOYSA-N 1 0 330.432 1.759 40 0 EDABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)COc2cccnc2)n1 ZINC000257239325 536051166 /nfs/dbraw/zinc/05/11/66/536051166.db2.gz HOUCVBFJUCSDIN-MRXNPFEDSA-N 1 0 341.415 1.676 40 0 EDABRO COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257218633 536617125 /nfs/dbraw/zinc/61/71/25/536617125.db2.gz DDWRNQKCSOUSTL-BFYDXBDKSA-N 1 0 336.407 1.942 40 0 EDABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C[NH3+])cc1 ZINC000218096371 536947918 /nfs/dbraw/zinc/94/79/18/536947918.db2.gz ZOWPSFGVHIFVRO-GVDBMIGSSA-N 1 0 332.425 1.291 40 0 EDABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCCCC3)ccc2N1S(C)(=O)=O ZINC000019497865 202009264 /nfs/dbraw/zinc/00/92/64/202009264.db2.gz VGCPWXJXJIRKQZ-CXAGYDPISA-N 1 0 338.473 1.917 40 0 EDABRO CCOc1ccc(Br)cc1CNCC[NH2+]C[C@@H](C)O ZINC000022075945 212277007 /nfs/dbraw/zinc/27/70/07/212277007.db2.gz LXLVXDFEYQTQCG-LLVKDONJSA-N 1 0 331.254 1.908 40 0 EDABRO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257217737 244175535 /nfs/dbraw/zinc/17/55/35/244175535.db2.gz DAJQDWKPDZRRJL-CQSZACIVSA-N 1 0 340.493 1.397 40 0 EDABRO Cn1cncc1C[NH+]1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000257208012 244141306 /nfs/dbraw/zinc/14/13/06/244141306.db2.gz BKHLXZXVOWOCPB-QGZVFWFLSA-N 1 0 327.432 1.824 40 0 EDABRO CCOc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@H](C(=O)NC)C1 ZINC000257241759 244245390 /nfs/dbraw/zinc/24/53/90/244245390.db2.gz HZMOJUXWFFSQJP-MRXNPFEDSA-N 1 0 333.432 1.112 40 0 EDABRO O=C(Cc1ccsc1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257270385 244376755 /nfs/dbraw/zinc/37/67/55/244376755.db2.gz MUANDQNLNHRFJB-OAHLLOKOSA-N 1 0 344.427 1.985 40 0 EDABRO COc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2=O)c1 ZINC000107194343 204226699 /nfs/dbraw/zinc/22/66/99/204226699.db2.gz IIKXAPGKNNKPAZ-QFBILLFUSA-N 1 0 330.428 1.909 40 0 EDABRO CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108534581 204266986 /nfs/dbraw/zinc/26/69/86/204266986.db2.gz INCKVZFYQKEJDL-INIZCTEOSA-N 1 0 332.448 1.866 40 0 EDABRO CC[C@@H](Oc1ccccc1F)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000177479208 207342409 /nfs/dbraw/zinc/34/24/09/207342409.db2.gz SOSNDCPPPPWUKG-MRXNPFEDSA-N 1 0 337.439 1.737 40 0 EDABRO CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000019527897 285335966 /nfs/dbraw/zinc/33/59/66/285335966.db2.gz TUEIZGZBLUQOPI-HZPDHXFCSA-N 1 0 336.484 1.577 40 0 EDABRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@@H](CCO)CC3)cc2C1 ZINC000333240644 141286151 /nfs/dbraw/zinc/28/61/51/141286151.db2.gz DTZYHIIVHVKDEV-UKRRQHHQSA-N 1 0 332.448 1.914 40 0 EDABRO C[C@@H]1N(CC[NH+](C)C)C(=O)COC12CCN(C(=O)c1ccoc1)CC2 ZINC000096201535 278044411 /nfs/dbraw/zinc/04/44/11/278044411.db2.gz APNDJRRRQDZEEG-AWEZNQCLSA-N 1 0 349.431 1.063 40 0 EDABRO CN1CC[N@H+](CC2CC2)C2(CCN(c3ncc(F)cn3)CC2)C1=O ZINC000096230285 290041398 /nfs/dbraw/zinc/04/13/98/290041398.db2.gz TVAAVCWPHMAGMT-UHFFFAOYSA-N 1 0 333.411 1.139 40 0 EDABRO [NH3+][C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218489062 295344076 /nfs/dbraw/zinc/34/40/76/295344076.db2.gz KWSKWCXUZRABRJ-HRCADAONSA-N 1 0 337.828 1.970 40 0 EDABRO CC(=O)Nc1ccc(C)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000004125090 440912447 /nfs/dbraw/zinc/91/24/47/440912447.db2.gz PEEZRXHXRGAKIO-UHFFFAOYSA-N 1 0 346.416 1.639 40 0 EDABRO C[C@H]1CCc2c(sc3ncn4c(=O)n(CC[NH+](C)C)nc4c23)C1 ZINC000012240219 441129444 /nfs/dbraw/zinc/12/94/44/441129444.db2.gz TZGNQHGUZRZPAP-JTQLQIEISA-N 1 0 331.445 1.792 40 0 EDABRO O=C1CC[C@@H](c2nc(C3CC[NH+](Cc4ccccn4)CC3)no2)N1 ZINC000012337307 441131593 /nfs/dbraw/zinc/13/15/93/441131593.db2.gz NCBWSCXUBBIKFU-AWEZNQCLSA-N 1 0 327.388 1.795 40 0 EDABRO COCC[N@@H+]1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000097953674 441147597 /nfs/dbraw/zinc/14/75/97/441147597.db2.gz UFCFNDOKPOVEOI-NUEKZKHPSA-N 1 0 338.473 1.533 40 0 EDABRO Cc1ccc(C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013672146 441163296 /nfs/dbraw/zinc/16/32/96/441163296.db2.gz PVJHKMJDRAUJGS-UHFFFAOYSA-N 1 0 339.461 1.071 40 0 EDABRO CC[NH+]1CCN([C@@H](c2nnnn2CCOC)c2ccc(F)cc2)CC1 ZINC000035310856 441602897 /nfs/dbraw/zinc/60/28/97/441602897.db2.gz NPFMLKQZPFUEDZ-MRXNPFEDSA-N 1 0 348.426 1.186 40 0 EDABRO C[C@H]1C[NH+](C[C@H](O)COCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000041690187 441668277 /nfs/dbraw/zinc/66/82/77/441668277.db2.gz RETOKUOVURNNNX-DZKIICNBSA-N 1 0 327.396 1.691 40 0 EDABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)nn1 ZINC000096048448 441996263 /nfs/dbraw/zinc/99/62/63/441996263.db2.gz PLTNSDAAPSNWPM-AEFFLSMTSA-N 1 0 342.447 1.754 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)cn1 ZINC000096052177 442002275 /nfs/dbraw/zinc/00/22/75/442002275.db2.gz MCODFEBBTWJXOH-MRXNPFEDSA-N 1 0 332.448 1.271 40 0 EDABRO Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1 ZINC000096054383 442001147 /nfs/dbraw/zinc/00/11/47/442001147.db2.gz ISHCBBCRWNCQOU-SJORKVTESA-N 1 0 333.432 1.209 40 0 EDABRO COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000096040830 441987064 /nfs/dbraw/zinc/98/70/64/441987064.db2.gz IZMRQNZBBYMHPF-FMKPAKJESA-N 1 0 338.473 1.595 40 0 EDABRO O=C(c1ccncc1)N1Cc2nccn2C[C@H](C[NH+]2CCCC2)C1 ZINC000096066944 442013644 /nfs/dbraw/zinc/01/36/44/442013644.db2.gz LNCJMBDDEZJCMX-HNNXBMFYSA-N 1 0 325.416 1.646 40 0 EDABRO C[NH+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccn31)C2 ZINC000096090136 442026026 /nfs/dbraw/zinc/02/60/26/442026026.db2.gz CRZMAJAHDSODAQ-DNVCBOLYSA-N 1 0 342.443 1.907 40 0 EDABRO Cc1cnc(C(=O)N2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cn1 ZINC000096107998 442032612 /nfs/dbraw/zinc/03/26/12/442032612.db2.gz DVHMFPXHYASVEV-FUHWJXTLSA-N 1 0 344.459 1.748 40 0 EDABRO CO[C@H]1CCN(C(=O)N2CCCC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109476 442034950 /nfs/dbraw/zinc/03/49/50/442034950.db2.gz RYIFLCARAHHHHH-KSZLIROESA-N 1 0 344.459 1.819 40 0 EDABRO CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096111080 442036706 /nfs/dbraw/zinc/03/67/06/442036706.db2.gz RZJUVTNWNXZUKD-UAGQMJEPSA-N 1 0 345.399 1.938 40 0 EDABRO [NH3+]CC(=O)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079392983 442044776 /nfs/dbraw/zinc/04/47/76/442044776.db2.gz IKPIEFGATXSBOC-MRXNPFEDSA-N 1 0 331.416 1.737 40 0 EDABRO CS(=O)(=O)NC[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096185443 442059233 /nfs/dbraw/zinc/05/92/33/442059233.db2.gz PUEQYGNKTSGNAA-FPMFFAJLSA-N 1 0 330.475 1.134 40 0 EDABRO O=c1ccc2c(n1Cc1cccnc1)CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096196715 442069601 /nfs/dbraw/zinc/06/96/01/442069601.db2.gz CLFQYICBICSSLP-KRWDZBQOSA-N 1 0 325.412 1.481 40 0 EDABRO CN(C)C(=O)COC[C@H]1C[N@H+](CC2CCCCC2)Cc2nnn(C)c21 ZINC000096198573 442073564 /nfs/dbraw/zinc/07/35/64/442073564.db2.gz YMMPKQSTQAFFIL-OAHLLOKOSA-N 1 0 349.479 1.399 40 0 EDABRO CCS(=O)(=O)N1CC[C@@H]([N@H+](C)C(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200948 442075788 /nfs/dbraw/zinc/07/57/88/442075788.db2.gz XNVSSWQRQFFUOQ-CABCVRRESA-N 1 0 328.482 1.095 40 0 EDABRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)o1 ZINC000096206801 442080421 /nfs/dbraw/zinc/08/04/21/442080421.db2.gz VGYHXYNTRVQWOE-AEFFLSMTSA-N 1 0 336.432 1.816 40 0 EDABRO COC[C@H]1CC2(C[N@@H+]1C)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096207518 442081575 /nfs/dbraw/zinc/08/15/75/442081575.db2.gz YBVJINRBZGNMHS-OAHLLOKOSA-N 1 0 338.473 1.808 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@H]2OC ZINC000096208962 442084169 /nfs/dbraw/zinc/08/41/69/442084169.db2.gz BQKVRDIQERJHLS-ARFHVFGLSA-N 1 0 342.436 1.555 40 0 EDABRO COCCN(C)C(=O)c1ccc2nnc([C@H]3CC[N@@H+](C(C)C)C3)n2c1 ZINC000096267458 442109143 /nfs/dbraw/zinc/10/91/43/442109143.db2.gz SBHTZFOTNCEJGG-AWEZNQCLSA-N 1 0 345.447 1.645 40 0 EDABRO CC(C)n1cnc2c1C[C@H](C(=O)NCC[NH+](C)C)C(=O)N2CC1CC1 ZINC000096264840 442109600 /nfs/dbraw/zinc/10/96/00/442109600.db2.gz HFGRUXXFKFYESA-CQSZACIVSA-N 1 0 347.463 1.057 40 0 EDABRO CS(=O)(=O)N1CCOCC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000096240044 442099319 /nfs/dbraw/zinc/09/93/19/442099319.db2.gz LYTKGUULAWIUTB-UHFFFAOYSA-N 1 0 328.434 1.154 40 0 EDABRO Cc1ccc(N2CCO[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)nn1 ZINC000096249791 442103137 /nfs/dbraw/zinc/10/31/37/442103137.db2.gz IGXFPVCLFIAPIC-SJLPKXTDSA-N 1 0 339.443 1.907 40 0 EDABRO Cc1nc(N2CCCC2)nc2c1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096254729 442105728 /nfs/dbraw/zinc/10/57/28/442105728.db2.gz VWZFPAYEHUWUKU-UHFFFAOYSA-N 1 0 326.448 1.720 40 0 EDABRO O=C([C@H]1CCCO1)N1CCOC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000247943151 442874472 /nfs/dbraw/zinc/87/44/72/442874472.db2.gz QHRFWIMKLXQDEJ-AEFFLSMTSA-N 1 0 334.416 1.510 40 0 EDABRO Cc1nc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](C[C@H](C)O)C3)cs1 ZINC000248032686 442878505 /nfs/dbraw/zinc/87/85/05/442878505.db2.gz MLTMFYUSEWZAMG-RCBQFDQVSA-N 1 0 326.462 1.972 40 0 EDABRO COC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000224265026 443098154 /nfs/dbraw/zinc/09/81/54/443098154.db2.gz UCVBCBPLAOKAAW-UHFFFAOYSA-N 1 0 340.445 1.628 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3sccc3C)CC2)OC[C@]1(C)O ZINC000257291487 443134049 /nfs/dbraw/zinc/13/40/49/443134049.db2.gz QHDHOHKSAFRGCC-BBRMVZONSA-N 1 0 338.473 1.791 40 0 EDABRO Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)n1 ZINC000257306035 443139255 /nfs/dbraw/zinc/13/92/55/443139255.db2.gz SSQAHSGAOFVOOE-MRXNPFEDSA-N 1 0 328.416 1.993 40 0 EDABRO O=S(=O)(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccccc1F ZINC000257313307 443143607 /nfs/dbraw/zinc/14/36/07/443143607.db2.gz URTUQXMBJOECIC-IIAWOOMASA-N 1 0 342.436 1.482 40 0 EDABRO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257318629 443145135 /nfs/dbraw/zinc/14/51/35/443145135.db2.gz VOTWMJKKBDCUMJ-BDXSIMOUSA-N 1 0 336.407 1.697 40 0 EDABRO Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000257327117 443149217 /nfs/dbraw/zinc/14/92/17/443149217.db2.gz XAARYAJCUGJBLZ-HZPDHXFCSA-N 1 0 333.480 1.924 40 0 EDABRO COc1ncc(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257334614 443151773 /nfs/dbraw/zinc/15/17/73/443151773.db2.gz YGRLVCFQQWSZQI-HNNXBMFYSA-N 1 0 329.404 1.296 40 0 EDABRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 ZINC000306124492 444284515 /nfs/dbraw/zinc/28/45/15/444284515.db2.gz BRMNAQXVWFWGNT-OLZOCXBDSA-N 1 0 329.491 1.147 40 0 EDABRO CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306127550 444285845 /nfs/dbraw/zinc/28/58/45/444285845.db2.gz GBNHLNNBTXDALT-ZIAGYGMSSA-N 1 0 329.404 1.314 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306137880 444287264 /nfs/dbraw/zinc/28/72/64/444287264.db2.gz RJAWZPPYNPFQCF-NWDGAFQWSA-N 1 0 331.445 1.394 40 0 EDABRO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CC3)ncn1)CC2 ZINC000329060824 444461297 /nfs/dbraw/zinc/46/12/97/444461297.db2.gz WOEYZIVWQIQTPG-UHFFFAOYSA-N 1 0 345.428 1.261 40 0 EDABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1 ZINC000514290315 448162276 /nfs/dbraw/zinc/16/22/76/448162276.db2.gz XDZIHGLYZPWHJT-ZWKOTPCHSA-N 1 0 330.476 1.043 40 0 biogenic,in-vitro EDABRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585103955 448686018 /nfs/dbraw/zinc/68/60/18/448686018.db2.gz HMCQLDQADOQVTN-SFHVURJKSA-N 1 0 335.448 1.998 40 0 EDABRO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccn(C)n2)C[C@H]1Cc1ccccc1 ZINC000585275538 448719411 /nfs/dbraw/zinc/71/94/11/448719411.db2.gz CKGNKZWIEODWFP-IAGOWNOFSA-N 1 0 342.443 1.938 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CCO[C@@](CO)(Cc3cccc(C)c3)C2)CC1 ZINC000585275785 448720605 /nfs/dbraw/zinc/72/06/05/448720605.db2.gz AGSLBQPVNUGZQF-FQEVSTJZSA-N 1 0 346.471 1.612 40 0 EDABRO C[NH+](C)CCC(=O)N1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000585095439 448678835 /nfs/dbraw/zinc/67/88/35/448678835.db2.gz XXGVASFXYAJHFV-OAHLLOKOSA-N 1 0 329.404 1.192 40 0 EDABRO C[NH+](C)C[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1 ZINC000585098585 448683707 /nfs/dbraw/zinc/68/37/07/448683707.db2.gz ZLVVXPVILTZKIR-OAHLLOKOSA-N 1 0 346.406 1.764 40 0 EDABRO Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257276100 536022165 /nfs/dbraw/zinc/02/21/65/536022165.db2.gz NSJOUDFQXAILKH-OAHLLOKOSA-N 1 0 349.460 1.403 40 0 EDABRO CC[NH+]1CCN([C@H](c2nnnn2CCOC)c2ccc(F)cc2)CC1 ZINC000035310855 213019056 /nfs/dbraw/zinc/01/90/56/213019056.db2.gz NPFMLKQZPFUEDZ-INIZCTEOSA-N 1 0 348.426 1.186 40 0 EDABRO CN(C)C(=O)CCc1cccc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072360503 216167088 /nfs/dbraw/zinc/16/70/88/216167088.db2.gz BDWRNGZGOYONMY-OAHLLOKOSA-N 1 0 346.475 1.370 40 0 EDABRO O=C(c1cncs1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257200712 244117663 /nfs/dbraw/zinc/11/76/63/244117663.db2.gz AEOWMTXQBMRWSZ-ZDUSSCGKSA-N 1 0 331.388 1.451 40 0 EDABRO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257217736 244173021 /nfs/dbraw/zinc/17/30/21/244173021.db2.gz DAJQDWKPDZRRJL-AWEZNQCLSA-N 1 0 340.493 1.397 40 0 EDABRO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)cn1 ZINC000257230556 244210072 /nfs/dbraw/zinc/21/00/72/244210072.db2.gz GCVRRUDEPKANJT-WMZOPIPTSA-N 1 0 347.459 1.466 40 0 EDABRO COCCC(=O)N1CC[C@@H]2[C@@H](c3ccccc3)[NH2+]C[C@]2(NC(C)=O)C1 ZINC000257229655 244210765 /nfs/dbraw/zinc/21/07/65/244210765.db2.gz FYZPPUUJMIZWPA-QRQLOZEOSA-N 1 0 345.443 1.091 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccncc2)C1 ZINC000257252198 244273578 /nfs/dbraw/zinc/27/35/78/244273578.db2.gz JTWYLHDDZLTOHR-IBGZPJMESA-N 1 0 343.402 1.930 40 0 EDABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000257273416 244386715 /nfs/dbraw/zinc/38/67/15/244386715.db2.gz NGMIBZSWSFRRSJ-CYBMUJFWSA-N 1 0 328.420 1.443 40 0 EDABRO COc1ccc2c(CN3C[C@H]4C[C@@H](O)C[N@@H+]4C[C@@H]3C)cn(C)c2c1 ZINC000019575993 212046056 /nfs/dbraw/zinc/04/60/56/212046056.db2.gz OTNCHDAXEGVXOT-NUEKZKHPSA-N 1 0 329.444 1.826 40 0 EDABRO Cc1ccc2oc(=O)n(CC(=O)N(C)CC[NH+]3CCCCC3)c2c1 ZINC000012206161 211320347 /nfs/dbraw/zinc/32/03/47/211320347.db2.gz KIVMRKFLUQRESU-UHFFFAOYSA-N 1 0 331.416 1.847 40 0 EDABRO O=c1ccc2c(n1CCn1cccn1)CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000096067692 218565304 /nfs/dbraw/zinc/56/53/04/218565304.db2.gz WYBRSXUSEYYMLS-INIZCTEOSA-N 1 0 338.411 1.985 40 0 EDABRO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107589 218599822 /nfs/dbraw/zinc/59/98/22/218599822.db2.gz PDFHZYLWCXUQSG-BBRMVZONSA-N 1 0 339.461 1.290 40 0 EDABRO C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cscn2)C1 ZINC000096188976 218657498 /nfs/dbraw/zinc/65/74/98/218657498.db2.gz YCYXMYUHDLKEOJ-ZDUSSCGKSA-N 1 0 349.460 1.190 40 0 EDABRO COCC(=O)N[C@@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096218764 218693765 /nfs/dbraw/zinc/69/37/65/218693765.db2.gz OLYQOGPBHHJZST-GOSISDBHSA-N 1 0 346.471 1.863 40 0 EDABRO Cc1cnc(C(=O)N2Cc3ccccc3O[C@H](C[NH+](C)C)C2)cn1 ZINC000012235112 279008864 /nfs/dbraw/zinc/00/88/64/279008864.db2.gz ZQMXFKUGLHIPAS-OAHLLOKOSA-N 1 0 326.400 1.750 40 0 EDABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072378036 289073581 /nfs/dbraw/zinc/07/35/81/289073581.db2.gz LAOCZTKPCCYWBN-AWEZNQCLSA-N 1 0 341.419 1.625 40 0 EDABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 ZINC000019752321 441259836 /nfs/dbraw/zinc/25/98/36/441259836.db2.gz 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346.475 1.922 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000097953395 219063572 /nfs/dbraw/zinc/06/35/72/219063572.db2.gz RSVGCRCRZQLNHO-RRFJBIMHSA-N 1 0 335.473 1.911 40 0 EDABRO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000004411059 210188944 /nfs/dbraw/zinc/18/89/44/210188944.db2.gz CMQKFRXCWMINRL-AYHJJNSGSA-N 1 0 347.434 1.964 40 0 EDABRO CNc1ccc(C[C@H]2CCC[N@H+](Cc3cnc(NC)nc3)C2)nn1 ZINC000072369275 216175628 /nfs/dbraw/zinc/17/56/28/216175628.db2.gz RNPHSXXNERAOHS-CYBMUJFWSA-N 1 0 327.436 1.805 40 0 EDABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cscn2)CC3)C1 ZINC000072368624 216176457 /nfs/dbraw/zinc/17/64/57/216176457.db2.gz LDKYONWRRFTEPD-LBPRGKRZSA-N 1 0 346.460 1.242 40 0 EDABRO CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@@H]2C[N@@H+](C)[C@H]3C1)OCO5 ZINC000073336757 216379516 /nfs/dbraw/zinc/37/95/16/216379516.db2.gz KLJOYDMUWKSYBP-BTLOSHPOSA-N 1 0 331.368 1.332 40 0 EDABRO COC(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000073460688 216387760 /nfs/dbraw/zinc/38/77/60/216387760.db2.gz OFNKOMNZSQVFDF-UHFFFAOYSA-N 1 0 326.418 1.237 40 0 EDABRO C[C@H]1[C@H](CC[NH+]2CCCCC2)COCCN1S(=O)(=O)N(C)C ZINC000247952027 291303289 /nfs/dbraw/zinc/30/32/89/291303289.db2.gz MNLQSUXDYMBGJV-LSDHHAIUSA-N 1 0 333.498 1.006 40 0 EDABRO Cc1noc(C2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)ccn3)C2)n1 ZINC000257204038 244127557 /nfs/dbraw/zinc/12/75/57/244127557.db2.gz ASUFMZMABJKLST-HNNXBMFYSA-N 1 0 327.388 1.779 40 0 EDABRO O=C1CO[C@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2N1C1CCOCC1 ZINC000257227459 244204617 /nfs/dbraw/zinc/20/46/17/244204617.db2.gz FPKCINSOCXOXAJ-OALUTQOASA-N 1 0 344.455 1.710 40 0 EDABRO CNc1cc(C)[nH+]c([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000257229484 244207667 /nfs/dbraw/zinc/20/76/67/244207667.db2.gz FYHKINDRHHYHSF-GFCCVEGCSA-N 1 0 335.433 1.343 40 0 EDABRO O[C@@H]1[C@H]([NH2+]Cc2cncs2)CC[C@@H](Oc2cccc(F)c2)[C@H]1O ZINC000257236632 244230489 /nfs/dbraw/zinc/23/04/89/244230489.db2.gz HDAMTFMRCYKRAV-KLHDSHLOSA-N 1 0 338.404 1.704 40 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C[NH+](C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cnccn1)C2 ZINC000096065021 289170759 /nfs/dbraw/zinc/17/07/59/289170759.db2.gz DPBVLBJZRJBCRS-FUHWJXTLSA-N 1 0 348.447 1.066 40 0 EDABRO COCCn1nnnc1[C@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019446013 292741118 /nfs/dbraw/zinc/74/11/18/292741118.db2.gz AGSOBQVZGWFWEQ-INIZCTEOSA-N 1 0 336.484 1.577 40 0 EDABRO COc1ccc2c3c1O[C@H]1[C@@]34CC[N@H+](C)[C@@H](C2)[C@H]4C[C@@H](O)[C@@]1(C)O ZINC000004972554 295278629 /nfs/dbraw/zinc/27/86/29/295278629.db2.gz FDQOEXDFLWOOAL-LJAFWFKGSA-N 1 0 331.412 1.086 40 0 EDABRO O=C1CCCN1C[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000304207590 303750029 /nfs/dbraw/zinc/75/00/29/303750029.db2.gz ZIQRHFWSMONKOD-OAHLLOKOSA-N 1 0 336.407 1.652 40 0 EDABRO Cc1ccccc1C[N@@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 ZINC000012185057 441128325 /nfs/dbraw/zinc/12/83/25/441128325.db2.gz IWRYCZXEPCAXQT-UHFFFAOYSA-N 1 0 340.427 1.473 40 0 EDABRO CC1CCC([N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)CC1 ZINC000019495956 441257724 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40 0 EDABRO COCCN1CC[C@]2(C[N@@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201887 442077491 /nfs/dbraw/zinc/07/74/91/442077491.db2.gz FVUAUXBRUIFVMI-WSTZPKSXSA-N 1 0 344.455 1.740 40 0 EDABRO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 ZINC000096206644 442080209 /nfs/dbraw/zinc/08/02/09/442080209.db2.gz KGVYPMSAZRDBIX-SOUVJXGZSA-N 1 0 335.473 1.957 40 0 EDABRO COCCNC(=O)C[C@H]1OC[C@H]2C[N@H+](Cc3ccc(C)cc3)CC[C@H]21 ZINC000096207264 442082063 /nfs/dbraw/zinc/08/20/63/442082063.db2.gz UVCLLDUSCKDCAV-GUDVDZBRSA-N 1 0 346.471 1.985 40 0 EDABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccnnc1)CC2 ZINC000096240321 442099813 /nfs/dbraw/zinc/09/98/13/442099813.db2.gz CGDVPVIEKBSNCW-MRXNPFEDSA-N 1 0 332.448 1.828 40 0 EDABRO COc1ccc(CN2C(=O)CO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)cc1 ZINC000096246438 442102211 /nfs/dbraw/zinc/10/22/11/442102211.db2.gz UKUZLLQYVKUMSK-KBAYOESNSA-N 1 0 346.427 1.143 40 0 EDABRO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 ZINC000096249615 442103289 /nfs/dbraw/zinc/10/32/89/442103289.db2.gz OXJNGPUUZYUTTE-HUUCEWRRSA-N 1 0 338.473 1.866 40 0 EDABRO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](CC3CCCC3)C[C@H]12)c1cccnc1 ZINC000247347262 442848467 /nfs/dbraw/zinc/84/84/67/442848467.db2.gz BOMUJVSMDCXFHK-KZNAEPCWSA-N 1 0 329.444 1.948 40 0 EDABRO CN1CC[NH+](C[C@]2(O)CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000257303769 443138630 /nfs/dbraw/zinc/13/86/30/443138630.db2.gz SIQCBNVKAJQIGN-MRXNPFEDSA-N 1 0 345.434 1.023 40 0 EDABRO NC(=O)C[NH+]1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 ZINC000257322643 443147169 /nfs/dbraw/zinc/14/71/69/443147169.db2.gz WGUMCCXAGFMROK-UHFFFAOYSA-N 1 0 340.431 1.745 40 0 EDABRO CSc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1NC(C)=O ZINC000225651055 443116168 /nfs/dbraw/zinc/11/61/68/443116168.db2.gz DNPFMSYQBJJCRY-UHFFFAOYSA-N 1 0 331.463 1.207 40 0 EDABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2ccccn2)C1 ZINC000257208602 443124765 /nfs/dbraw/zinc/12/47/65/443124765.db2.gz BMVQBDLETRPGDW-AWEZNQCLSA-N 1 0 326.404 1.486 40 0 EDABRO CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@H+](CC(N)=O)C[C@@H]3C[C@H]21 ZINC000257341068 443154845 /nfs/dbraw/zinc/15/48/45/443154845.db2.gz ZISLODXCEOXXER-IYDIDCQVSA-N 1 0 346.427 1.817 40 0 EDABRO COc1ncccc1C(=O)NCc1nccnc1C1CC[NH+](C)CC1 ZINC000257343334 443155474 /nfs/dbraw/zinc/15/54/74/443155474.db2.gz ZSMCWNOLGWJABW-UHFFFAOYSA-N 1 0 341.415 1.619 40 0 EDABRO O=C(c1ncccn1)N1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000306141216 444287509 /nfs/dbraw/zinc/28/75/09/444287509.db2.gz VONRDTNPEOIZQB-HNNXBMFYSA-N 1 0 326.404 1.356 40 0 EDABRO Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12 ZINC000306140374 444287606 /nfs/dbraw/zinc/28/76/06/444287606.db2.gz URKNREOBFBLDNL-ZMSDIMECSA-N 1 0 345.468 1.963 40 0 EDABRO C[NH+](C)CCNc1nc(NCc2ccccc2F)cc(C2CC2)n1 ZINC000328984493 444433967 /nfs/dbraw/zinc/43/39/67/444433967.db2.gz HNGLXEKGAYXMGH-UHFFFAOYSA-N 1 0 329.423 1.923 40 0 EDABRO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC1)CC2 ZINC000585100739 448685021 /nfs/dbraw/zinc/68/50/21/448685021.db2.gz VAVGYSLBCILOCC-MRXNPFEDSA-N 1 0 328.478 1.288 40 0 EDABRO C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCC2CCOCC2)[C@@H]1O ZINC000585280493 448729575 /nfs/dbraw/zinc/72/95/75/448729575.db2.gz JMHKZDNTSDJPJA-QRVBRYPASA-N 1 0 346.471 1.801 40 0 EDABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)N2CCCO2)C1 ZINC000097953377 219064092 /nfs/dbraw/zinc/06/40/92/219064092.db2.gz ZLPGMAICWQLBBA-NVXWUHKLSA-N 1 0 335.404 1.436 40 0 EDABRO CCc1nnc(Nc2cccc(C3CCN(C(=O)C[NH3+])CC3)n2)s1 ZINC000072382970 216183832 /nfs/dbraw/zinc/18/38/32/216183832.db2.gz GFTAYMROQLURQJ-UHFFFAOYSA-N 1 0 346.460 1.904 40 0 EDABRO Cc1cnc(C[C@H]2COCCN(C(=O)C[NH+]3CCCCC3)C2)cn1 ZINC000072388271 216188186 /nfs/dbraw/zinc/18/81/86/216188186.db2.gz QIVXNEPAXAGXRF-MRXNPFEDSA-N 1 0 332.448 1.288 40 0 EDABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000072392092 216190637 /nfs/dbraw/zinc/19/06/37/216190637.db2.gz CSNQPUOBMJWNJA-KRWDZBQOSA-N 1 0 326.444 1.909 40 0 EDABRO [NH3+][C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218488844 241325902 /nfs/dbraw/zinc/32/59/02/241325902.db2.gz KWSKWCXUZRABRJ-PMPSAXMXSA-N 1 0 337.828 1.970 40 0 EDABRO [NH3+]C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218158347 241301780 /nfs/dbraw/zinc/30/17/80/241301780.db2.gz RVWGLINPBOCBGU-XOKHGSTOSA-N 1 0 331.393 1.930 40 0 EDABRO Cc1noc(C2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)ccn3)C2)n1 ZINC000257204039 244127141 /nfs/dbraw/zinc/12/71/41/244127141.db2.gz ASUFMZMABJKLST-OAHLLOKOSA-N 1 0 327.388 1.779 40 0 EDABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@H]3COC[C@H]3O)CC2)n1 ZINC000257268050 244367942 /nfs/dbraw/zinc/36/79/42/244367942.db2.gz MJZYBDUQJMFZTP-NWDGAFQWSA-N 1 0 331.338 1.743 40 0 EDABRO Nc1cc(CC[C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)cc[nH+]1 ZINC000257273172 244384445 /nfs/dbraw/zinc/38/44/45/244384445.db2.gz NFNQCJXERTWPIG-MRXNPFEDSA-N 1 0 343.431 1.501 40 0 EDABRO Cn1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019290942 212011625 /nfs/dbraw/zinc/01/16/25/212011625.db2.gz FWXSIODPEXKVBH-OAHLLOKOSA-N 1 0 326.404 1.175 40 0 EDABRO C[C@H]([NH3+])C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000079391349 217219421 /nfs/dbraw/zinc/21/94/21/217219421.db2.gz QNCHWKGDKDWCJE-LBPRGKRZSA-N 1 0 325.453 1.972 40 0 EDABRO CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096047841 218535620 /nfs/dbraw/zinc/53/56/20/218535620.db2.gz IBJVAZFSPFKAIP-INIZCTEOSA-N 1 0 340.464 1.141 40 0 EDABRO C[NH+](C)C[C@]12COC[C@H]1CN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096108253 218601978 /nfs/dbraw/zinc/60/19/78/218601978.db2.gz PUOVBCNECHPNOU-DOMZBBRYSA-N 1 0 328.409 1.024 40 0 EDABRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1 ZINC000096219174 218694273 /nfs/dbraw/zinc/69/42/73/218694273.db2.gz BTFWODIYODKMMA-CGTJXYLNSA-N 1 0 345.443 1.923 40 0 EDABRO C[NH2+]CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 ZINC000072383028 277263987 /nfs/dbraw/zinc/26/39/87/277263987.db2.gz ATLXRAUAYDIRMH-CQSZACIVSA-N 1 0 340.431 1.767 40 0 EDABRO 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442013391 /nfs/dbraw/zinc/01/33/91/442013391.db2.gz FSWSNMAMJPMHDL-FPMFFAJLSA-N 1 0 330.475 1.134 40 0 EDABRO O=C(c1ccccn1)N1CCOC[C@]2(CC[C@H](C[NH+]3CCCC3)O2)C1 ZINC000096063372 442011556 /nfs/dbraw/zinc/01/15/56/442011556.db2.gz TZPHTPMSNRLDIS-APWZRJJASA-N 1 0 345.443 1.568 40 0 EDABRO O=C(NCc1ccco1)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]2OCC[C@H]21 ZINC000096064903 442012142 /nfs/dbraw/zinc/01/21/42/442012142.db2.gz BXWANFGXODONEN-RCCFBDPRSA-N 1 0 341.411 1.828 40 0 EDABRO COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096065259 442012917 /nfs/dbraw/zinc/01/29/17/442012917.db2.gz YQKMHXIKRHAWKA-ZACQAIPSSA-N 1 0 346.427 1.554 40 0 EDABRO CN1CCN([C@@H]2CC[N@H+](C[C@@H]3CCOC3)[C@H]2Cc2cccnc2)CC1 ZINC000096070040 442017297 /nfs/dbraw/zinc/01/72/97/442017297.db2.gz HARQSXIXHFXPSW-ZCNNSNEGSA-N 1 0 344.503 1.351 40 0 EDABRO Cc1cnc(CNC(=O)[C@H]2CO[C@H]3CC[N@H+](CC4CC4)C[C@H]3C2)cn1 ZINC000096066033 442014525 /nfs/dbraw/zinc/01/45/25/442014525.db2.gz UAZOEFLBRSQUJR-NUJGCVRESA-N 1 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/nfs/dbraw/zinc/06/89/68/442068968.db2.gz SLZYKLSHBMOLQA-UHFFFAOYSA-N 1 0 345.422 1.852 40 0 EDABRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21)N1CCOCC1 ZINC000096209159 442084971 /nfs/dbraw/zinc/08/49/71/442084971.db2.gz MRCWKFAXYXSZPS-KZNAEPCWSA-N 1 0 345.443 1.167 40 0 EDABRO CN(C)C(=O)C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12 ZINC000096215624 442087238 /nfs/dbraw/zinc/08/72/38/442087238.db2.gz JCFYIJQNDHYODW-CKEIUWERSA-N 1 0 332.400 1.340 40 0 EDABRO Cn1cnc(C(=O)N2CCC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096228404 442096425 /nfs/dbraw/zinc/09/64/25/442096425.db2.gz BRGPTFBYZZANJU-QAPCUYQASA-N 1 0 332.448 1.527 40 0 EDABRO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](CC2CC2)C1 ZINC000096244589 442100063 /nfs/dbraw/zinc/10/00/63/442100063.db2.gz WHSUIGZONDXMSP-IBGZPJMESA-N 1 0 344.459 1.505 40 0 EDABRO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@H+](CC2CCOCC2)C1 ZINC000248003603 442876988 /nfs/dbraw/zinc/87/69/88/442876988.db2.gz RRMXGXWTBCVCSY-MRXNPFEDSA-N 1 0 332.448 1.364 40 0 EDABRO C[N@H+](CC(=O)N1CCOC[C@H]1CCc1cnccn1)C1CCCC1 ZINC000257291605 443133799 /nfs/dbraw/zinc/13/37/99/443133799.db2.gz QHUQIXAJAQDTIL-QGZVFWFLSA-N 1 0 332.448 1.511 40 0 EDABRO C[NH2+]CCOc1cccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000257306604 443140607 /nfs/dbraw/zinc/14/06/07/443140607.db2.gz SUZULYMPJXMCFP-KRWDZBQOSA-N 1 0 348.443 1.431 40 0 EDABRO Cc1cccc(C(=O)N2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)n1 ZINC000257314660 443143610 /nfs/dbraw/zinc/14/36/10/443143610.db2.gz UXYKRBYGWDPEAW-MRXNPFEDSA-N 1 0 339.386 1.698 40 0 EDABRO Cc1nc(CC(=O)NCc2nccnc2C2CC[NH+](C)CC2)cs1 ZINC000257327283 443149412 /nfs/dbraw/zinc/14/94/12/443149412.db2.gz XAUDJRRKQONVDY-UHFFFAOYSA-N 1 0 345.472 1.910 40 0 EDABRO COCCN1C(=O)CCC[C@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CC[C@H]21 ZINC000257332924 443150974 /nfs/dbraw/zinc/15/09/74/443150974.db2.gz XZJCBDFKKTWSIP-FUHWJXTLSA-N 1 0 348.491 1.886 40 0 EDABRO O=C(c1cccc2ncccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257335577 443152825 /nfs/dbraw/zinc/15/28/25/443152825.db2.gz YKUUXQSZZFHZHL-LJQANCHMSA-N 1 0 325.412 1.908 40 0 EDABRO O=C(CCn1ncc2ccccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257337552 443153139 /nfs/dbraw/zinc/15/31/39/443153139.db2.gz YTGMUHVQCNBKIP-LJQANCHMSA-N 1 0 342.443 1.486 40 0 EDABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C[NH3+])cc1 ZINC000242723180 443211933 /nfs/dbraw/zinc/21/19/33/443211933.db2.gz YFJSAXROTFWLGP-KURKYZTESA-N 1 0 346.452 1.600 40 0 EDABRO CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306129599 444285685 /nfs/dbraw/zinc/28/56/85/444285685.db2.gz IHXBLEAINWFCRN-OLZOCXBDSA-N 1 0 331.445 1.394 40 0 EDABRO CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000298117957 444421157 /nfs/dbraw/zinc/42/11/57/444421157.db2.gz SMJLIZBWEYHWID-OAHLLOKOSA-N 1 0 333.432 1.302 40 0 EDABRO CC(=O)N1CCC([N@@H+]2CC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585269418 448717060 /nfs/dbraw/zinc/71/70/60/448717060.db2.gz SRFFNKOWZUHBBF-LJQANCHMSA-N 1 0 332.444 1.822 40 0 EDABRO CC(=O)N1CC[C@H]([NH2+]Cc2nccn2C)[C@H](Cc2ccccc2)C1 ZINC000585269323 448717243 /nfs/dbraw/zinc/71/72/43/448717243.db2.gz PEXXAIREWSDLTP-MSOLQXFVSA-N 1 0 326.444 1.989 40 0 EDABRO Cc1ccccc1OC[C@]1(O)COCC[N@H+](CC2CCOCC2)C1 ZINC000585275284 448719157 /nfs/dbraw/zinc/71/91/57/448719157.db2.gz BXHGHZAFMLGWJT-LJQANCHMSA-N 1 0 335.444 1.864 40 0 EDABRO Cc1ccccc1OC[C@@]1(O)COCCN(C2CC[NH+](C)CC2)C1 ZINC000585275369 448719349 /nfs/dbraw/zinc/71/93/49/448719349.db2.gz DGFSNRGEIFNYLC-IBGZPJMESA-N 1 0 334.460 1.531 40 0 EDABRO CC(C)S(=O)(=O)N1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000585095470 448678966 /nfs/dbraw/zinc/67/89/66/448678966.db2.gz ZAVPPHLHVFMBLG-HNNXBMFYSA-N 1 0 326.466 1.464 40 0 EDABRO CCC(CC)[NH2+]C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585283645 448731440 /nfs/dbraw/zinc/73/14/40/448731440.db2.gz GCYULNMBEWSZMR-AZUAARDMSA-N 1 0 348.487 1.722 40 0 EDABRO CCCC[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O ZINC000585283544 448731837 /nfs/dbraw/zinc/73/18/37/448731837.db2.gz AJEGUBBJKNTMTI-MJGOQNOKSA-N 1 0 334.460 1.333 40 0 EDABRO CCn1cc(C[NH+]2CCC3(CC2)C[C@H](O)C(C)(C)N(C(C)=O)C3)cn1 ZINC000257247373 536051462 /nfs/dbraw/zinc/05/14/62/536051462.db2.gz IYTACCHWXDCEHW-KRWDZBQOSA-N 1 0 348.491 1.877 40 0 EDABRO COc1cc(NC(=O)CC[NH+](CCO)CCO)c2nccc(C)c2c1 ZINC000001664026 209776913 /nfs/dbraw/zinc/77/69/13/209776913.db2.gz LQJJPHLPMIJTIS-UHFFFAOYSA-N 1 0 347.415 1.167 40 0 EDABRO CC(=O)N1CCC[C@@](O)(C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000072367439 216173986 /nfs/dbraw/zinc/17/39/86/216173986.db2.gz AMKLRDNUEYEHPF-IBGZPJMESA-N 1 0 346.475 1.728 40 0 EDABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(CCO)CC2)CC(C)(C)C1 ZINC000022588972 212308793 /nfs/dbraw/zinc/30/87/93/212308793.db2.gz QNIXPBLAMUCLDU-BBWFWOEESA-N 1 0 328.497 1.189 40 0 EDABRO C[NH2+][C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)OC[C@]1(C)O ZINC000257245214 244256228 /nfs/dbraw/zinc/25/62/28/244256228.db2.gz IONQWRXKAYLKKZ-RDJZCZTQSA-N 1 0 336.407 1.560 40 0 EDABRO Cc1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)on1 ZINC000257269203 244371340 /nfs/dbraw/zinc/37/13/40/244371340.db2.gz MPAAKBSMICNSAJ-INIZCTEOSA-N 1 0 330.388 1.966 40 0 EDABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)cc2c1OCO2 ZINC000019549951 212040977 /nfs/dbraw/zinc/04/09/77/212040977.db2.gz UEECCXSPMXOWMC-GJZGRUSLSA-N 1 0 334.416 1.455 40 0 EDABRO O=c1cc([C@H]2CC[N@H+](CC3=CCCOC3)C2)nc(-c2ccncc2)[nH]1 ZINC000019405854 212025157 /nfs/dbraw/zinc/02/51/57/212025157.db2.gz PCKVPFVRDRSSGP-INIZCTEOSA-N 1 0 338.411 1.968 40 0 EDABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079412481 217221691 /nfs/dbraw/zinc/22/16/91/217221691.db2.gz WLFVBOYDDVNHIO-MRXNPFEDSA-N 1 0 333.432 1.983 40 0 EDABRO C[NH+](C)CCCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004983952 210349230 /nfs/dbraw/zinc/34/92/30/210349230.db2.gz HEAQVBCEPBQSNY-VKAVYKQESA-N 1 0 340.427 1.854 40 0 EDABRO C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC[NH+](C)C)nc4c23)C1 ZINC000012240215 274320200 /nfs/dbraw/zinc/32/02/00/274320200.db2.gz TZGNQHGUZRZPAP-SNVBAGLBSA-N 1 0 331.445 1.792 40 0 EDABRO COCC[NH+]1CCC2(CC1)C[C@@H](NC(=O)COC)c1ccccc1O2 ZINC000096242762 277219769 /nfs/dbraw/zinc/21/97/69/277219769.db2.gz GSRXQHNZBHYHKZ-MRXNPFEDSA-N 1 0 348.443 1.754 40 0 EDABRO Cc1cccc2nc(C(=O)N[C@@H]3CC[C@@H]([NH+]4CCCC4)[C@@H]3O)cn21 ZINC000257232067 281316033 /nfs/dbraw/zinc/31/60/33/281316033.db2.gz GJHNHXBGSYFHEG-FRFSOERESA-N 1 0 328.416 1.360 40 0 EDABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1NS(C)(=O)=O ZINC000013612348 441162011 /nfs/dbraw/zinc/16/20/11/441162011.db2.gz QROOLKCOKFOQOR-UHFFFAOYSA-N 1 0 339.461 1.582 40 0 EDABRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ncoc3C)CC2)c1 ZINC000092521683 441804020 /nfs/dbraw/zinc/80/40/20/441804020.db2.gz AFBGLKVQTRIHRB-UHFFFAOYSA-N 1 0 331.376 1.418 40 0 EDABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)nn1 ZINC000096048446 441996618 /nfs/dbraw/zinc/99/66/18/441996618.db2.gz PLTNSDAAPSNWPM-SJLPKXTDSA-N 1 0 342.447 1.754 40 0 EDABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)nn1 ZINC000096048447 441996793 /nfs/dbraw/zinc/99/67/93/441996793.db2.gz PLTNSDAAPSNWPM-FUHWJXTLSA-N 1 0 342.447 1.754 40 0 EDABRO COCCCNC(=O)c1ccc2ccc(N3CC[NH+](C)CC3)n2c1 ZINC000096038362 441983846 /nfs/dbraw/zinc/98/38/46/441983846.db2.gz VWSZCTJBIUHZOT-UHFFFAOYSA-N 1 0 330.432 1.457 40 0 EDABRO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000096039767 441986763 /nfs/dbraw/zinc/98/67/63/441986763.db2.gz IFWKTTDIVZIONC-PKOBYXMFSA-N 1 0 347.459 1.558 40 0 EDABRO Cn1cc(C[N@@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)cn1 ZINC000096041274 441988276 /nfs/dbraw/zinc/98/82/76/441988276.db2.gz AQCFPSYJQCFYDH-USXIJHARSA-N 1 0 344.415 1.309 40 0 EDABRO Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccsc1)C2 ZINC000096060658 442008234 /nfs/dbraw/zinc/00/82/34/442008234.db2.gz HFTIDMJCJDDHPU-CQSZACIVSA-N 1 0 335.477 1.554 40 0 EDABRO O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccoc2)C1 ZINC000096064939 442013318 /nfs/dbraw/zinc/01/33/18/442013318.db2.gz ZALZUNOZYHNNBL-KZNAEPCWSA-N 1 0 341.411 1.970 40 0 EDABRO CC(=O)N1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096064382 442013088 /nfs/dbraw/zinc/01/30/88/442013088.db2.gz JJFRRIJSQQABPK-SQNIBIBYSA-N 1 0 345.443 1.827 40 0 EDABRO c1cn2c(n1)CN(c1ncccn1)C[C@@H](COCC[NH+]1CCCC1)C2 ZINC000096066862 442014799 /nfs/dbraw/zinc/01/47/99/442014799.db2.gz SWMTXRRBYLUWHA-INIZCTEOSA-N 1 0 342.447 1.422 40 0 EDABRO CN(Cc1cnc2n1CCN(CC[NH+](C)C)CC2)Cc1cccnc1 ZINC000096100560 442027803 /nfs/dbraw/zinc/02/78/03/442027803.db2.gz PQRIIYJFMDMWLY-UHFFFAOYSA-N 1 0 342.491 1.330 40 0 EDABRO CO[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096108606 442033557 /nfs/dbraw/zinc/03/35/57/442033557.db2.gz MYXBYNQIWMGCIG-USXIJHARSA-N 1 0 342.399 1.431 40 0 EDABRO O=C(NCc1ccccn1)[C@]12COC[C@H]1C[N@H+](Cc1ccoc1)C2 ZINC000096110094 442035964 /nfs/dbraw/zinc/03/59/64/442035964.db2.gz RSMIEDGBCKYIJH-CRAIPNDOSA-N 1 0 327.384 1.439 40 0 EDABRO COCCN1CC2(CC[NH+](Cc3ccccn3)CC2)[C@@H](COC)C1=O ZINC000096209156 442084917 /nfs/dbraw/zinc/08/49/17/442084917.db2.gz UBJIXGHXEKLORV-KRWDZBQOSA-N 1 0 347.459 1.415 40 0 EDABRO Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(CC(=O)N3CCCC3)C2)n1 ZINC000096209513 442084967 /nfs/dbraw/zinc/08/49/67/442084967.db2.gz ITJJJDMRDKQVGF-PBHICJAKSA-N 1 0 335.473 1.912 40 0 EDABRO O=C(N[C@H]1COCCC12CC[NH+](Cc1ccccn1)CC2)C1CC1 ZINC000096209732 442085979 /nfs/dbraw/zinc/08/59/79/442085979.db2.gz KWUFQFYXEDFBOJ-KRWDZBQOSA-N 1 0 329.444 1.979 40 0 EDABRO CC(C)[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 ZINC000096249577 442103462 /nfs/dbraw/zinc/10/34/62/442103462.db2.gz FLFRQZABNQEDKB-ZIAGYGMSSA-N 1 0 344.502 1.868 40 0 EDABRO Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000096249659 442103582 /nfs/dbraw/zinc/10/35/82/442103582.db2.gz KBFPMQOJEKGKSG-SJLPKXTDSA-N 1 0 329.444 1.963 40 0 EDABRO O=C1c2ccccc2C(=O)N1CCCc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000218378624 443058347 /nfs/dbraw/zinc/05/83/47/443058347.db2.gz CDNMYUGSZAMKPW-GFCCVEGCSA-N 1 0 340.383 1.765 40 0 EDABRO CN(C)Cc1cn(-c2ccccc2C(=O)N[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257295324 443135286 /nfs/dbraw/zinc/13/52/86/443135286.db2.gz QXWPQWPKYSZVQL-HNNXBMFYSA-N 1 0 341.459 1.758 40 0 EDABRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC000257302495 443138847 /nfs/dbraw/zinc/13/88/47/443138847.db2.gz SDDPYYBMDQPQLF-IAGOWNOFSA-N 1 0 336.407 1.256 40 0 EDABRO NC(=O)[C@@H]1CN(CCc2ccc(F)cc2)CC[N@@H+](C2CCOCC2)C1 ZINC000257309051 443141352 /nfs/dbraw/zinc/14/13/52/443141352.db2.gz TZHZXICUKNIDLU-MRXNPFEDSA-N 1 0 349.450 1.266 40 0 EDABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CNC(=O)c1ccccc1 ZINC000257311518 443142729 /nfs/dbraw/zinc/14/27/29/443142729.db2.gz UJWUHVQBXUPMMI-PFRQMTDMSA-N 1 0 341.455 1.890 40 0 EDABRO O=C(N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1ccc2ccccc2n1 ZINC000257320489 443145899 /nfs/dbraw/zinc/14/58/99/443145899.db2.gz VXBFHWDXMKWWPC-KBAYOESNSA-N 1 0 325.412 1.952 40 0 EDABRO Cc1nn(C)cc1C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257228601 443125726 /nfs/dbraw/zinc/12/57/26/443125726.db2.gz FUNMHMNNWDZCPH-OAHLLOKOSA-N 1 0 342.390 1.037 40 0 EDABRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cccs1 ZINC000306124491 444284603 /nfs/dbraw/zinc/28/46/03/444284603.db2.gz BRMNAQXVWFWGNT-CHWSQXEVSA-N 1 0 329.491 1.147 40 0 EDABRO C[NH+](C)CCNc1nc(Nc2cccc(O)c2)cc(C(F)(F)F)n1 ZINC000328963742 444425928 /nfs/dbraw/zinc/42/59/28/444425928.db2.gz BPXCEWISLAZMKZ-UHFFFAOYSA-N 1 0 341.337 1.762 40 0 EDABRO OCCCNc1nc(NCc2cc(F)cc(F)c2)cc(C2CC2)[nH+]1 ZINC000329031358 444451746 /nfs/dbraw/zinc/45/17/46/444451746.db2.gz QIWLTYKYDWRTOI-UHFFFAOYSA-N 1 0 334.370 1.882 40 0 EDABRO Cc1cccnc1CN1CC2(C1)C[C@@H](COCC(=O)N(C)C)C[N@@H+]2C ZINC000585093923 448677329 /nfs/dbraw/zinc/67/73/29/448677329.db2.gz PSAKBSPGYLTGPM-MRXNPFEDSA-N 1 0 346.475 1.001 40 0 EDABRO Cn1cccc1C(=O)N1Cc2ncn(C)c2C[C@H]1C[NH+]1CCCCC1 ZINC000585094847 448677500 /nfs/dbraw/zinc/67/75/00/448677500.db2.gz PZWRMDNKURIEAW-HNNXBMFYSA-N 1 0 341.459 1.812 40 0 EDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCCC2)[C@@H](O)C1 ZINC000585282310 448729908 /nfs/dbraw/zinc/72/99/08/448729908.db2.gz DJHJFKDILXTCHL-HKUYNNGSSA-N 1 0 332.444 1.039 40 0 EDABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)nc1 ZINC000257248806 536020035 /nfs/dbraw/zinc/02/00/35/536020035.db2.gz JFHAZURECWCLCV-CQSZACIVSA-N 1 0 343.387 1.322 40 0 EDABRO O=C(c1cnccn1)N1CCOC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000097953292 219063789 /nfs/dbraw/zinc/06/37/89/219063789.db2.gz JGGYNSIFLWWOEW-UHFFFAOYSA-N 1 0 342.399 1.577 40 0 EDABRO Cc1cc(C)[nH+]c(NNC2=CC(=O)N(c3ccc(F)c(F)c3)C2O)n1 ZINC000104346393 219376954 /nfs/dbraw/zinc/37/69/54/219376954.db2.gz VKGPMUWCIBXUBQ-CYBMUJFWSA-N 1 0 347.325 1.620 40 0 EDABRO CC(=O)N1CCN(c2ccc(C[C@@H]3CCC[N@@H+](C(C)C)C3)nn2)CC1 ZINC000072387156 216186815 /nfs/dbraw/zinc/18/68/15/216186815.db2.gz FYJJNIBOCQIRLR-KRWDZBQOSA-N 1 0 345.491 1.808 40 0 EDABRO CC[N@@H+]1CCC[C@H]1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000023247905 212363989 /nfs/dbraw/zinc/36/39/89/212363989.db2.gz KENAASCJPVJENH-HNNXBMFYSA-N 1 0 343.427 1.873 40 0 EDABRO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1N1CCCC1=O ZINC000022534212 212306035 /nfs/dbraw/zinc/30/60/35/212306035.db2.gz FBSOBWVPMONWFM-UHFFFAOYSA-N 1 0 339.461 1.352 40 0 EDABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCC(N)=O ZINC000022075694 212276304 /nfs/dbraw/zinc/27/63/04/212276304.db2.gz BPNNSBSEYFRGCJ-UHFFFAOYSA-N 1 0 329.828 1.254 40 0 EDABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)CC ZINC000218082732 241296038 /nfs/dbraw/zinc/29/60/38/241296038.db2.gz AVRKSDQXIJUDCM-OFQRWUPVSA-N 1 0 341.429 1.104 40 0 EDABRO COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218095481 241298487 /nfs/dbraw/zinc/29/84/87/241298487.db2.gz LFYXCTKVCKRHEA-BZSNNMDCSA-N 1 0 347.436 1.572 40 0 EDABRO Nc1cc(CC[C@H]2CN(C(=O)CCc3cccnc3)CCO2)cc[nH+]1 ZINC000257206811 244136799 /nfs/dbraw/zinc/13/67/99/244136799.db2.gz BEYSCBFOYUXZOO-KRWDZBQOSA-N 1 0 340.427 1.852 40 0 EDABRO Cc1cc(N)cc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)[nH+]1 ZINC000257222095 244188427 /nfs/dbraw/zinc/18/84/27/244188427.db2.gz DRWBLHCOVBFLHI-MRXNPFEDSA-N 1 0 339.399 1.853 40 0 EDABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000257231274 244212988 /nfs/dbraw/zinc/21/29/88/244212988.db2.gz GFZWQFBJCSULFC-QGZVFWFLSA-N 1 0 345.443 1.523 40 0 EDABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2cc(C(N)=O)ncn2)C1 ZINC000257249424 244266002 /nfs/dbraw/zinc/26/60/02/244266002.db2.gz JIHCSCQMISWJAR-LBPRGKRZSA-N 1 0 331.445 1.795 40 0 EDABRO O=C(CCOc1ccccc1F)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257296223 244448126 /nfs/dbraw/zinc/44/81/26/244448126.db2.gz RBUAIMKJQXXJMT-SFHVURJKSA-N 1 0 336.407 1.654 40 0 EDABRO COc1cccc(C(=O)N2CC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)c1 ZINC000019656933 212052694 /nfs/dbraw/zinc/05/26/94/212052694.db2.gz CRPCIAOTNCHROK-OAHLLOKOSA-N 1 0 345.443 1.368 40 0 EDABRO C[C@@H](Cc1ccccn1)NC(=O)C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000019457018 212029929 /nfs/dbraw/zinc/02/99/29/212029929.db2.gz 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257918881 /nfs/dbraw/zinc/91/88/81/257918881.db2.gz FLWZUDHDNSWFEY-HNNXBMFYSA-N 1 0 342.447 1.452 40 0 EDABRO CC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccc3c1OCCO3)CC[C@@H]2OC ZINC000096209028 276253990 /nfs/dbraw/zinc/25/39/90/276253990.db2.gz BVUBPUQWBSEPLN-XHSDSOJGSA-N 1 0 346.427 1.639 40 0 EDABRO [NH3+][C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218060951 295343815 /nfs/dbraw/zinc/34/38/15/295343815.db2.gz CPMGZWJFQHDAPZ-OWCLPIDISA-N 1 0 337.828 1.970 40 0 EDABRO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](C[C@H]2CCOC2)C3)CC1 ZINC000072389546 441231034 /nfs/dbraw/zinc/23/10/34/441231034.db2.gz PRVLFOHMXQMTAW-CQSZACIVSA-N 1 0 332.448 1.401 40 0 EDABRO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C1CCN(c2ncccn2)CC1 ZINC000072368938 441231481 /nfs/dbraw/zinc/23/14/81/441231481.db2.gz OYYGXWNOECCNSB-MRXNPFEDSA-N 1 0 331.464 1.636 40 0 EDABRO O=C([C@@H]1C[C@]2(CO1)CCC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000107230323 441404921 /nfs/dbraw/zinc/40/49/21/441404921.db2.gz FWTFEXKGWPOBRQ-AZUAARDMSA-N 1 0 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