smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(N2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000095696735 185383139 /nfs/dbraw/zinc/38/31/39/185383139.db2.gz IQNPJIIGYJNFJB-QGZVFWFLSA-N 1 1 310.397 2.649 40 0 DFABMO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900672 185125483 /nfs/dbraw/zinc/12/54/83/185125483.db2.gz LFENINAJDYFKGL-YPMHNXCESA-N 1 1 316.380 2.588 40 0 DFABMO CC[N@H+](CCN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391811 185168627 /nfs/dbraw/zinc/16/86/27/185168627.db2.gz YSOSCHBSMBUYLH-IRXDYDNUSA-N 1 1 319.449 2.505 40 0 DFABMO CC[N@@H+](CCN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391811 185168628 /nfs/dbraw/zinc/16/86/28/185168628.db2.gz YSOSCHBSMBUYLH-IRXDYDNUSA-N 1 1 319.449 2.505 40 0 DFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000585102650 398431947 /nfs/dbraw/zinc/43/19/47/398431947.db2.gz DWWFPLPDOAZGBN-INIZCTEOSA-N 1 1 306.425 2.758 40 0 DFABMO CC(C)N1C[C@]2(CC1=O)COCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585103422 398432323 /nfs/dbraw/zinc/43/23/23/398432323.db2.gz BVDYTKJZJQQVHZ-QFBILLFUSA-N 1 1 316.445 2.707 40 0 DFABMO CC(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 ZINC000585099877 398432391 /nfs/dbraw/zinc/43/23/91/398432391.db2.gz OOJBAIRBFLHDNA-FUHWJXTLSA-N 1 1 308.466 2.669 40 0 DFABMO CCc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)on1 ZINC000585278973 398437995 /nfs/dbraw/zinc/43/79/95/398437995.db2.gz JPQWUNIVILGUCK-KDOFPFPSSA-N 1 1 318.392 2.802 40 0 DFABMO CCc1cc(C[N@H+]2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)on1 ZINC000585278973 398437997 /nfs/dbraw/zinc/43/79/97/398437997.db2.gz JPQWUNIVILGUCK-KDOFPFPSSA-N 1 1 318.392 2.802 40 0 DFABMO CNc1ncccc1C[N@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585279314 398438385 /nfs/dbraw/zinc/43/83/85/398438385.db2.gz JZZOZULMQCPJRV-SJLPKXTDSA-N 1 1 311.429 2.549 40 0 DFABMO O=c1c2ccccc2nc2n1CCC[N@@H+](Cc1ccccc1)CC2 ZINC000585282530 398439467 /nfs/dbraw/zinc/43/94/67/398439467.db2.gz FXENZAATZJUDIW-UHFFFAOYSA-N 1 1 319.408 2.845 40 0 DFABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@H+](C3CCC3)C2)c1 ZINC000585281818 398439609 /nfs/dbraw/zinc/43/96/09/398439609.db2.gz BLVWWXDAJWTNLB-IBGZPJMESA-N 1 1 319.445 2.606 40 0 DFABMO C[C@]12CC[N@@H+](CC3(O)CCCCCC3)[C@H]1CCCCC(=O)N2 ZINC000585282546 398439695 /nfs/dbraw/zinc/43/96/95/398439695.db2.gz GMANRWCMSVEPLM-RDJZCZTQSA-N 1 1 308.466 2.595 40 0 DFABMO CC(C)NC(=O)c1nc2c(o1)CC[N@H+](CC1CCCCC1)C2 ZINC000585111478 398433210 /nfs/dbraw/zinc/43/32/10/398433210.db2.gz BFXBCCHYRKMCIU-UHFFFAOYSA-N 1 1 305.422 2.751 40 0 DFABMO CC(C)NC(=O)c1nc2c(o1)CC[N@@H+](CC1CCCCC1)C2 ZINC000585111478 398433214 /nfs/dbraw/zinc/43/32/14/398433214.db2.gz BFXBCCHYRKMCIU-UHFFFAOYSA-N 1 1 305.422 2.751 40 0 DFABMO c1coc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585104304 398433290 /nfs/dbraw/zinc/43/32/90/398433290.db2.gz GZIGUKKGUFJRCQ-MRXNPFEDSA-N 1 1 316.426 2.951 40 0 DFABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)co1 ZINC000585104974 398433568 /nfs/dbraw/zinc/43/35/68/398433568.db2.gz MXDZTBFNTXURKM-MRXNPFEDSA-N 1 1 316.426 2.951 40 0 DFABMO Cc1nnc([C@@H]2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000096066399 282337417 /nfs/dbraw/zinc/33/74/17/282337417.db2.gz LHAVUIPWGSOPRL-BRWVUGGUSA-N 1 1 313.401 2.773 40 0 DFABMO COc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000043135597 398613613 /nfs/dbraw/zinc/61/36/13/398613613.db2.gz HWCQDQGDHIUGDX-AWEZNQCLSA-N 1 1 305.422 2.939 40 0 DFABMO COc1ccc2c(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)cn(C)c2c1 ZINC000072324560 191123592 /nfs/dbraw/zinc/12/35/92/191123592.db2.gz FJXBGAWPXSVIFQ-GOEBONIOSA-N 1 1 313.445 2.855 40 0 DFABMO COc1cccc2ccc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)nc21 ZINC000072324684 191123310 /nfs/dbraw/zinc/12/33/10/191123310.db2.gz NWKYCNGZJOCDCF-RHSMWYFYSA-N 1 1 311.429 2.912 40 0 DFABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccco4)C3)cc(N)n2n1 ZINC000072339769 191126055 /nfs/dbraw/zinc/12/60/55/191126055.db2.gz NUEVISOXBRSMRS-CYBMUJFWSA-N 1 1 311.389 2.593 40 0 DFABMO CNc1cc(Nc2nccc([C@H]3CCC[N@H+]3C(C)C)n2)ncn1 ZINC000072377456 191139188 /nfs/dbraw/zinc/13/91/88/191139188.db2.gz YYSJNHVPSKFBNE-CYBMUJFWSA-N 1 1 313.409 2.597 40 0 DFABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)c2nccnc21 ZINC000072393846 191150151 /nfs/dbraw/zinc/15/01/51/191150151.db2.gz DCDVTJNMPHGBLP-CYBMUJFWSA-N 1 1 313.430 2.804 40 0 DFABMO O=C1NCCCN1C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194414694 201223063 /nfs/dbraw/zinc/22/30/63/201223063.db2.gz MDTSTIACTDMCIU-UHFFFAOYSA-N 1 1 313.854 2.781 40 0 DFABMO O=C(NCCC[C@H]1CCCCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195562977 201410897 /nfs/dbraw/zinc/41/08/97/201410897.db2.gz FXQLYRRZWDPWTK-NVXWUHKLSA-N 1 1 323.481 2.652 40 0 DFABMO Fc1ccc(OCC[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000257299667 203022745 /nfs/dbraw/zinc/02/27/45/203022745.db2.gz RRABZKMRGWKEAX-CQSZACIVSA-N 1 1 301.365 2.874 40 0 DFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cnccn1 ZINC000257305623 203029035 /nfs/dbraw/zinc/02/90/35/203029035.db2.gz SQUYELVCPTYKGQ-OAHLLOKOSA-N 1 1 313.405 2.550 40 0 DFABMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257310782 203033368 /nfs/dbraw/zinc/03/33/68/203033368.db2.gz UGNSZAUSRNYIHV-INIZCTEOSA-N 1 1 311.385 2.893 40 0 DFABMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257310782 203033372 /nfs/dbraw/zinc/03/33/72/203033372.db2.gz UGNSZAUSRNYIHV-INIZCTEOSA-N 1 1 311.385 2.893 40 0 DFABMO Cc1nccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257280467 203008163 /nfs/dbraw/zinc/00/81/63/203008163.db2.gz OLAGBWTWKPFIIU-INIZCTEOSA-N 1 1 311.385 2.893 40 0 DFABMO Cc1nccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257280467 203008166 /nfs/dbraw/zinc/00/81/66/203008166.db2.gz OLAGBWTWKPFIIU-INIZCTEOSA-N 1 1 311.385 2.893 40 0 DFABMO CCCCc1nc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c[nH]1 ZINC000257312807 203036745 /nfs/dbraw/zinc/03/67/45/203036745.db2.gz UPPOODLJZQPYOF-RDJZCZTQSA-N 1 1 307.438 2.522 40 0 DFABMO CCCCc1nc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)c[nH]1 ZINC000257312807 203036749 /nfs/dbraw/zinc/03/67/49/203036749.db2.gz UPPOODLJZQPYOF-RDJZCZTQSA-N 1 1 307.438 2.522 40 0 DFABMO Cc1nc(CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000257316822 203040472 /nfs/dbraw/zinc/04/04/72/203040472.db2.gz VHDMCKMSTRGKSK-INIZCTEOSA-N 1 1 315.442 2.509 40 0 DFABMO Cc1nc(CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000257316822 203040475 /nfs/dbraw/zinc/04/04/75/203040475.db2.gz VHDMCKMSTRGKSK-INIZCTEOSA-N 1 1 315.442 2.509 40 0 DFABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4cnccn4)C3)c2n1 ZINC000257322352 203048117 /nfs/dbraw/zinc/04/81/17/203048117.db2.gz WFQRJCHOGGQKLW-HNNXBMFYSA-N 1 1 322.416 2.516 40 0 DFABMO c1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)c[nH]1 ZINC000257341839 203064831 /nfs/dbraw/zinc/06/48/31/203064831.db2.gz ZMDGQNPHUSUISX-INIZCTEOSA-N 1 1 322.412 2.649 40 0 DFABMO c1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)c[nH]1 ZINC000257341839 203064835 /nfs/dbraw/zinc/06/48/35/203064835.db2.gz ZMDGQNPHUSUISX-INIZCTEOSA-N 1 1 322.412 2.649 40 0 DFABMO c1ncc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000257341839 203064838 /nfs/dbraw/zinc/06/48/38/203064838.db2.gz ZMDGQNPHUSUISX-INIZCTEOSA-N 1 1 322.412 2.649 40 0 DFABMO c1ncc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000257341839 203064842 /nfs/dbraw/zinc/06/48/42/203064842.db2.gz ZMDGQNPHUSUISX-INIZCTEOSA-N 1 1 322.412 2.649 40 0 DFABMO CC(C)OCc1nn(C)c2c1C[N@H+](Cc1cccs1)CC2 ZINC000096084897 193531346 /nfs/dbraw/zinc/53/13/46/193531346.db2.gz WKRPRHXSSOWCBQ-UHFFFAOYSA-N 1 1 305.447 2.965 40 0 DFABMO CC(C)OCc1nn(C)c2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096084897 193531348 /nfs/dbraw/zinc/53/13/48/193531348.db2.gz WKRPRHXSSOWCBQ-UHFFFAOYSA-N 1 1 305.447 2.965 40 0 DFABMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016739468 182059273 /nfs/dbraw/zinc/05/92/73/182059273.db2.gz XHMQPFJPUWCIMQ-GDBMZVCRSA-N 1 1 305.418 2.751 40 0 DFABMO Cc1ccnc(-n2cccc2C[N@H+](CCO)Cc2cccnc2)c1 ZINC000019238215 182110975 /nfs/dbraw/zinc/11/09/75/182110975.db2.gz FKYGNWASPBPKAF-UHFFFAOYSA-N 1 1 322.412 2.570 40 0 DFABMO Cc1ccnc(-n2cccc2C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000019238215 182110976 /nfs/dbraw/zinc/11/09/76/182110976.db2.gz FKYGNWASPBPKAF-UHFFFAOYSA-N 1 1 322.412 2.570 40 0 DFABMO OCC[N@H+](Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019373944 182120813 /nfs/dbraw/zinc/12/08/13/182120813.db2.gz MCNDCJSMRGXEFE-UHFFFAOYSA-N 1 1 314.414 2.528 40 0 DFABMO OCC[N@@H+](Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019373944 182120815 /nfs/dbraw/zinc/12/08/15/182120815.db2.gz MCNDCJSMRGXEFE-UHFFFAOYSA-N 1 1 314.414 2.528 40 0 DFABMO Cc1c(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnn1C ZINC000019553717 182129184 /nfs/dbraw/zinc/12/91/84/182129184.db2.gz NFAGVUOJZLATLT-HNNXBMFYSA-N 1 1 309.417 2.984 40 0 DFABMO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](CC)CC1 ZINC000020462286 182220833 /nfs/dbraw/zinc/22/08/33/182220833.db2.gz MLJFBCBRMFALCN-MRXNPFEDSA-N 1 1 304.434 2.625 40 0 DFABMO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020512016 182225736 /nfs/dbraw/zinc/22/57/36/182225736.db2.gz GYNFIPWTBAKVIZ-UHFFFAOYSA-N 1 1 324.424 2.718 40 0 DFABMO O=C(N[C@@H]1COc2ccccc21)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000084535965 542510508 /nfs/dbraw/zinc/51/05/08/542510508.db2.gz URSNQHPRVPGLDS-QZTJIDSGSA-N 1 1 322.408 2.901 40 0 DFABMO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cc1 ZINC000083247876 542502908 /nfs/dbraw/zinc/50/29/08/542502908.db2.gz IZVSYGOIIOKBDQ-QGZVFWFLSA-N 1 1 304.434 2.683 40 0 DFABMO CC(C)[N@@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000079939202 257121115 /nfs/dbraw/zinc/12/11/15/257121115.db2.gz JOHCFSOVCVZRIL-GFCCVEGCSA-N 1 1 314.223 2.937 40 0 DFABMO CC(C)[N@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000079939202 257121116 /nfs/dbraw/zinc/12/11/16/257121116.db2.gz JOHCFSOVCVZRIL-GFCCVEGCSA-N 1 1 314.223 2.937 40 0 DFABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)c1 ZINC000072227753 257122836 /nfs/dbraw/zinc/12/28/36/257122836.db2.gz UIHPIQIYRYEZAA-CABCVRRESA-N 1 1 302.761 2.764 40 0 DFABMO CC(C)[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cn2)CC1 ZINC000072225609 257123756 /nfs/dbraw/zinc/12/37/56/257123756.db2.gz WORNRPLUSIELAL-UHFFFAOYSA-N 1 1 309.413 2.843 40 0 DFABMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000095533573 257137885 /nfs/dbraw/zinc/13/78/85/257137885.db2.gz RNMPSVHPNNBXSJ-OAHLLOKOSA-N 1 1 310.357 2.537 40 0 DFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1OC ZINC000095533893 257138121 /nfs/dbraw/zinc/13/81/21/257138121.db2.gz IGAPCIITEGIQBV-OAHLLOKOSA-N 1 1 310.357 2.537 40 0 DFABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cccc(F)c1 ZINC000261925739 146302842 /nfs/dbraw/zinc/30/28/42/146302842.db2.gz JATJSUVZPSRZAY-MRXNPFEDSA-N 1 1 314.360 2.621 40 0 DFABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C(=O)Nc1ccccc1C2=O ZINC000019576373 425790525 /nfs/dbraw/zinc/79/05/25/425790525.db2.gz CGRCPNKISDEKNO-JXFKEZNVSA-N 1 1 320.392 2.960 40 0 DFABMO CCOC(=O)c1c[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000045028257 425859773 /nfs/dbraw/zinc/85/97/73/425859773.db2.gz PPRZIPDYUCSLLE-UHFFFAOYSA-N 1 1 312.369 2.522 40 0 DFABMO CCOC(=O)c1c[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000045028257 425859774 /nfs/dbraw/zinc/85/97/74/425859774.db2.gz PPRZIPDYUCSLLE-UHFFFAOYSA-N 1 1 312.369 2.522 40 0 DFABMO Cc1ccc(OCC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000028295314 425821681 /nfs/dbraw/zinc/82/16/81/425821681.db2.gz XLVAXEJEYWVORY-BBWFWOEESA-N 1 1 307.434 2.542 40 0 DFABMO O=Cc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000031977637 425837612 /nfs/dbraw/zinc/83/76/12/425837612.db2.gz VXQVWRJUOSPGRC-UHFFFAOYSA-N 1 1 310.397 2.700 40 0 DFABMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000035982072 425844968 /nfs/dbraw/zinc/84/49/68/425844968.db2.gz XHMQPFJPUWCIMQ-GOEBONIOSA-N 1 1 305.418 2.751 40 0 DFABMO C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)C1=CC[N@@H+](C)CC1 ZINC000272864951 268252538 /nfs/dbraw/zinc/25/25/38/268252538.db2.gz VSAUPIDHWUSCSD-IUODEOHRSA-N 1 1 303.406 2.607 40 0 DFABMO CC(=O)N1CCC([C@@H]2CCCC[N@H+]2Cc2ccccn2)CC1 ZINC000072363813 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203025039 /nfs/dbraw/zinc/02/50/39/203025039.db2.gz RYTSTBTUJQPHBV-QGZVFWFLSA-N 1 1 311.433 2.535 40 0 DFABMO COc1ccc(C[N@H+]2CC[C@H](c3n[nH]cc3C)C2)c(OC)c1 ZINC000257290659 203015217 /nfs/dbraw/zinc/01/52/17/203015217.db2.gz QDVHRKLJNAIYET-AWEZNQCLSA-N 1 1 301.390 2.725 40 0 DFABMO COCC[N@H+]1CCC[C@@H]1c1cccc(-c2cnc(C)n2C)n1 ZINC000257329402 203053417 /nfs/dbraw/zinc/05/34/17/203053417.db2.gz XJVMLADLIQGASD-MRXNPFEDSA-N 1 1 300.406 2.574 40 0 DFABMO C[N@H+]1CCC[C@@H](c2cncc(C(=O)NCC3CCCCC3)n2)C1 ZINC000257329004 203053443 /nfs/dbraw/zinc/05/34/43/203053443.db2.gz XHYVYDDCLQGCRM-OAHLLOKOSA-N 1 1 316.449 2.596 40 0 DFABMO OCCOc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000257332421 203054536 /nfs/dbraw/zinc/05/45/36/203054536.db2.gz XXGSKEGUXXDBGT-HNNXBMFYSA-N 1 1 318.442 2.894 40 0 DFABMO c1cc(C[N@@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)cs1 ZINC000257321519 203044521 /nfs/dbraw/zinc/04/45/21/203044521.db2.gz WBZWDJMFFJBHIU-QLFBSQMISA-N 1 1 300.431 2.861 40 0 DFABMO 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ZMDGQNPHUSUISX-MRXNPFEDSA-N 1 1 322.412 2.649 40 0 DFABMO c1ncc(C[N@@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000257341840 203064938 /nfs/dbraw/zinc/06/49/38/203064938.db2.gz ZMDGQNPHUSUISX-MRXNPFEDSA-N 1 1 322.412 2.649 40 0 DFABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCC23CCC3)c1 ZINC000282669486 217165645 /nfs/dbraw/zinc/16/56/45/217165645.db2.gz JAGFGSLYYTUKCQ-DLBZAZTESA-N 1 1 313.445 2.881 40 0 DFABMO C[N@@H+](CCOc1ccccc1)Cc1ccnc(N2CCCC2)n1 ZINC000019586168 182131783 /nfs/dbraw/zinc/13/17/83/182131783.db2.gz UVFUBMZHUKXMIF-UHFFFAOYSA-N 1 1 312.417 2.588 40 0 DFABMO CCc1noc(C)c1C(=O)N1CCC([C@H]2CCCC[N@H+]2C)CC1 ZINC000019747001 182141999 /nfs/dbraw/zinc/14/19/99/182141999.db2.gz VGUVNYNVBJKESV-MRXNPFEDSA-N 1 1 319.449 2.882 40 0 DFABMO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849949 183011083 /nfs/dbraw/zinc/01/10/83/183011083.db2.gz NSCMHKNNSXWLIO-SFHVURJKSA-N 1 1 309.413 2.610 40 0 DFABMO COc1cc(C)c(C[NH2+][C@H](CO)c2ccccc2F)cc1OC ZINC000083469817 542502478 /nfs/dbraw/zinc/50/24/78/542502478.db2.gz CGHORWZFCOLDGC-MRXNPFEDSA-N 1 1 319.376 2.975 40 0 DFABMO Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)n1 ZINC000084114397 542505883 /nfs/dbraw/zinc/50/58/83/542505883.db2.gz LBNACZNSTJWFLS-KRWDZBQOSA-N 1 1 318.465 2.563 40 0 DFABMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1C ZINC000084177781 542507032 /nfs/dbraw/zinc/50/70/32/542507032.db2.gz DVRIUGHHEDKDNP-UHFFFAOYSA-N 1 1 309.413 2.656 40 0 DFABMO Cc1ccc(CNC(=O)c2cncc([C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000257271358 256621097 /nfs/dbraw/zinc/62/10/97/256621097.db2.gz MXYRYANVRWZUSN-MRXNPFEDSA-N 1 1 324.428 2.524 40 0 DFABMO C[C@@H]1CCO[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000084700116 542514149 /nfs/dbraw/zinc/51/41/49/542514149.db2.gz QPDVGROVGOBJFZ-NVXWUHKLSA-N 1 1 308.466 2.526 40 0 DFABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2F)cc1 ZINC000072228097 257121914 /nfs/dbraw/zinc/12/19/14/257121914.db2.gz FPTQCFNPYJTLFU-CVEARBPZSA-N 1 1 300.333 2.640 40 0 DFABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)o1 ZINC000072227293 257122498 /nfs/dbraw/zinc/12/24/98/257122498.db2.gz BTPUKKOAFJDXJH-OLZOCXBDSA-N 1 1 321.174 2.766 40 0 DFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(OC)cc2)cc1 ZINC000072228058 257122608 /nfs/dbraw/zinc/12/26/08/257122608.db2.gz CTRQSKPGYWJLJE-DLBZAZTESA-N 1 1 312.369 2.509 40 0 DFABMO CC[NH+]1CCN(c2ccc(C(=O)c3ccccc3)c(C)n2)CC1 ZINC000072224671 257123686 /nfs/dbraw/zinc/12/36/86/257123686.db2.gz VXPGRRKFOBRWOI-UHFFFAOYSA-N 1 1 309.413 2.763 40 0 DFABMO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216528 257125052 /nfs/dbraw/zinc/12/50/52/257125052.db2.gz WOKQHUKPOCBTBK-KRWDZBQOSA-N 1 1 302.466 2.770 40 0 DFABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216528 257125053 /nfs/dbraw/zinc/12/50/53/257125053.db2.gz WOKQHUKPOCBTBK-KRWDZBQOSA-N 1 1 302.466 2.770 40 0 DFABMO CCC1=C(c2cccc(OC)c2)[C@]([NH3+])(Cc2ccccc2)NN1 ZINC000228945436 257214544 /nfs/dbraw/zinc/21/45/44/257214544.db2.gz 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[NH3+][C@@H](c1nc(-c2ccccc2O)n[nH]1)c1ccc(Cl)cc1 ZINC000095533938 426373143 /nfs/dbraw/zinc/37/31/43/426373143.db2.gz HPBHTDXWRSSZNK-CYBMUJFWSA-N 1 1 300.749 2.879 40 0 DFABMO COCCN1CC[N@H+](Cc2cccs2)Cc2cccnc21 ZINC000096198844 426406065 /nfs/dbraw/zinc/40/60/65/426406065.db2.gz FPHXPRTYIWZRID-UHFFFAOYSA-N 1 1 303.431 2.612 40 0 DFABMO COCCN1CC[N@@H+](Cc2cccs2)Cc2cccnc21 ZINC000096198844 426406068 /nfs/dbraw/zinc/40/60/68/426406068.db2.gz FPHXPRTYIWZRID-UHFFFAOYSA-N 1 1 303.431 2.612 40 0 DFABMO c1cc(COC[C@@]23CCCO[C@H]2CC[N@@H+](CC2CC2)C3)ccn1 ZINC000096040206 426389740 /nfs/dbraw/zinc/38/97/40/426389740.db2.gz ZYEGLNDIFPNSDT-OALUTQOASA-N 1 1 316.445 2.879 40 0 DFABMO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)co1 ZINC000096048238 426390240 /nfs/dbraw/zinc/39/02/40/426390240.db2.gz DSOSNTRTQXYLJG-MSOLQXFVSA-N 1 1 314.385 2.877 40 0 DFABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048091 426390765 /nfs/dbraw/zinc/39/07/65/426390765.db2.gz FPHIRMCLRVTPBN-SFHVURJKSA-N 1 1 315.461 2.547 40 0 DFABMO Cc1cccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046327 426391083 /nfs/dbraw/zinc/39/10/83/426391083.db2.gz VQYJGOJNXVTYMG-JCGIZDLHSA-N 1 1 310.401 2.532 40 0 DFABMO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccccc1)CC2 ZINC000096197769 426406576 /nfs/dbraw/zinc/40/65/76/426406576.db2.gz ZHGQHTMDXQIFTB-GOSISDBHSA-N 1 1 311.429 2.946 40 0 DFABMO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000096197769 426406578 /nfs/dbraw/zinc/40/65/78/426406578.db2.gz ZHGQHTMDXQIFTB-GOSISDBHSA-N 1 1 311.429 2.946 40 0 DFABMO c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)nc1 ZINC000096056416 426392480 /nfs/dbraw/zinc/39/24/80/426392480.db2.gz KHYPNUZMFAJFEC-KZNAEPCWSA-N 1 1 302.418 2.630 40 0 DFABMO CN(C)C(=O)N1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC000096051606 426392691 /nfs/dbraw/zinc/39/26/91/426392691.db2.gz QCKXPBSFVSEXFW-HNNXBMFYSA-N 1 1 305.422 2.638 40 0 DFABMO c1coc(CN2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049467 426393583 /nfs/dbraw/zinc/39/35/83/426393583.db2.gz NEKVAWGOXXDFCX-GOSISDBHSA-N 1 1 304.434 2.604 40 0 DFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCC4CC4)C[C@@H]3C2)s1 ZINC000096054995 426393715 /nfs/dbraw/zinc/39/37/15/426393715.db2.gz HZYCGVSHOGVBGK-HZPDHXFCSA-N 1 1 306.475 2.742 40 0 DFABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)s1 ZINC000096054995 426393719 /nfs/dbraw/zinc/39/37/19/426393719.db2.gz HZYCGVSHOGVBGK-HZPDHXFCSA-N 1 1 306.475 2.742 40 0 DFABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)s1 ZINC000096054995 426393723 /nfs/dbraw/zinc/39/37/23/426393723.db2.gz HZYCGVSHOGVBGK-HZPDHXFCSA-N 1 1 306.475 2.742 40 0 DFABMO CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(c1cc(OC)ncn1)C2 ZINC000096216578 426407591 /nfs/dbraw/zinc/40/75/91/426407591.db2.gz CHPGPRXBAVEJPL-RHSMWYFYSA-N 1 1 304.438 2.576 40 0 DFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096219625 426409800 /nfs/dbraw/zinc/40/98/00/426409800.db2.gz AINUJDLTWFDBML-GZBFAFLISA-N 1 1 319.430 2.580 40 0 DFABMO c1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cc1 ZINC000096219056 426410095 /nfs/dbraw/zinc/41/00/95/426410095.db2.gz ZFGZXWFEFLNVAI-PKOBYXMFSA-N 1 1 309.413 2.927 40 0 DFABMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2ccccc2)n1 ZINC000096246030 426411330 /nfs/dbraw/zinc/41/13/30/426411330.db2.gz ATXHVTCDHAUQOK-OALUTQOASA-N 1 1 321.424 2.765 40 0 DFABMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC000096245969 426411400 /nfs/dbraw/zinc/41/14/00/426411400.db2.gz GOPIPDGNXNKKII-HOTGVXAUSA-N 1 1 313.426 2.831 40 0 DFABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)n1 ZINC000096245969 426411403 /nfs/dbraw/zinc/41/14/03/426411403.db2.gz GOPIPDGNXNKKII-HOTGVXAUSA-N 1 1 313.426 2.831 40 0 DFABMO Cc1ccc(N2C[C@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)cc1 ZINC000096238498 426411832 /nfs/dbraw/zinc/41/18/32/426411832.db2.gz VEVDNKDBHMPSOC-LJQANCHMSA-N 1 1 314.429 2.603 40 0 DFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4C)C[C@@H]32)C(=O)N1 ZINC000096261566 426412585 /nfs/dbraw/zinc/41/25/85/426412585.db2.gz KSYJLZKDEPWYGD-JTDSTZFVSA-N 1 1 311.429 2.514 40 0 DFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261643 426413212 /nfs/dbraw/zinc/41/32/12/426413212.db2.gz IUEPBLXZXSIBLN-JTDSTZFVSA-N 1 1 315.461 2.538 40 0 DFABMO Cc1cn2c([nH+]1)CC[C@H](Nc1nnc(-c3ccccn3)s1)C2 ZINC000195575181 426538068 /nfs/dbraw/zinc/53/80/68/426538068.db2.gz HSNCGKFPBMSJHX-NSHDSACASA-N 1 1 312.402 2.532 40 0 DFABMO COc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000224835632 426595176 /nfs/dbraw/zinc/59/51/76/426595176.db2.gz VEWQBICANRHPHB-CQSZACIVSA-N 1 1 304.434 2.855 40 0 DFABMO c1ccc(O[C@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000247857721 426965311 /nfs/dbraw/zinc/96/53/11/426965311.db2.gz YIMAPRKHENJNDL-OAHLLOKOSA-N 1 1 313.426 2.616 40 0 DFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248161725 426982715 /nfs/dbraw/zinc/98/27/15/426982715.db2.gz XTEIEZPOWLPYAO-HNNXBMFYSA-N 1 1 306.425 2.758 40 0 DFABMO CC(C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc[nH+]1 ZINC000328964575 427018312 /nfs/dbraw/zinc/01/83/12/427018312.db2.gz BWBKKYJPFIEREA-ZDUSSCGKSA-N 1 1 312.417 2.913 40 0 DFABMO c1cc2n(n1)[C@H](COCC1CCOCC1)C[N@@H+](C1CCCC1)C2 ZINC000253595765 427216677 /nfs/dbraw/zinc/21/66/77/427216677.db2.gz IHLIOZJHZCLLAS-SFHVURJKSA-N 1 1 319.449 2.626 40 0 DFABMO c1cc2n(n1)[C@H](COCC1CCOCC1)C[N@H+](C1CCCC1)C2 ZINC000253595765 427216682 /nfs/dbraw/zinc/21/66/82/427216682.db2.gz IHLIOZJHZCLLAS-SFHVURJKSA-N 1 1 319.449 2.626 40 0 DFABMO C(OC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CCOCC1)C2)C1CC1 ZINC000253595466 427216737 /nfs/dbraw/zinc/21/67/37/427216737.db2.gz DVKOINZEOMRZBI-RTBURBONSA-N 1 1 323.477 2.711 40 0 DFABMO CC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCC[NH2+]2)o1 ZINC000257267066 427328376 /nfs/dbraw/zinc/32/83/76/427328376.db2.gz MFURJUNCGNAMQU-KGLIPLIRSA-N 1 1 320.437 2.984 40 0 DFABMO CNC(=O)c1cccc([C@@H]2C[N@H+](C3CCCCC3)CCN2C)c1 ZINC000257331119 427332688 /nfs/dbraw/zinc/33/26/88/427332688.db2.gz XRLJLCIJEVTERX-SFHVURJKSA-N 1 1 315.461 2.667 40 0 DFABMO CCC(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000257342538 427332821 /nfs/dbraw/zinc/33/28/21/427332821.db2.gz ZPCLGMVMYLPJMD-SHTZXODSSA-N 1 1 320.481 2.624 40 0 DFABMO CO[C@H]1CCN(Cc2ccoc2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096219984 274080984 /nfs/dbraw/zinc/08/09/84/274080984.db2.gz YZSYIMQNKYOCIP-KSZLIROESA-N 1 1 316.401 2.594 40 0 DFABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2scnc2C)C1 ZINC000585095224 430479182 /nfs/dbraw/zinc/47/91/82/430479182.db2.gz IRHZUVNVEFIOSD-AWEZNQCLSA-N 1 1 305.447 2.922 40 0 DFABMO O=C1c2cccn2[C@@H]2C[N@H+](CC3CC3)C[C@@H]2N1Cc1ccccc1 ZINC000306136288 280332704 /nfs/dbraw/zinc/33/27/04/280332704.db2.gz POYRUPBRYPGQPQ-MOPGFXCFSA-N 1 1 321.424 2.779 40 0 DFABMO Cc1ccc2c([nH+]1)N(CC1CC1)CCN(C(=O)c1ccco1)C2 ZINC000096199071 281137118 /nfs/dbraw/zinc/13/71/18/281137118.db2.gz BHHPHVYFUWRSKR-UHFFFAOYSA-N 1 1 311.385 2.855 40 0 DFABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCC2)ncc1C(=O)N(C)C ZINC000257233192 293385504 /nfs/dbraw/zinc/38/55/04/293385504.db2.gz GOFDIGFEALOVOF-MRXNPFEDSA-N 1 1 316.449 2.956 40 0 DFABMO COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCOC1 ZINC000248119400 295361526 /nfs/dbraw/zinc/36/15/26/295361526.db2.gz DGLCVUKHMSYRQZ-DOTOQJQBSA-N 1 1 305.418 2.713 40 0 DFABMO CC(C)C[N@@H+]1CCO[C@@H](CNCc2cc(Cl)cs2)C1 ZINC000192982470 323250372 /nfs/dbraw/zinc/25/03/72/323250372.db2.gz PDHGZBXARHTQHF-ZDUSSCGKSA-N 1 1 302.871 2.848 40 0 DFABMO CC(C)C[N@H+]1CCO[C@@H](CNCc2cc(Cl)cs2)C1 ZINC000192982470 323250377 /nfs/dbraw/zinc/25/03/77/323250377.db2.gz PDHGZBXARHTQHF-ZDUSSCGKSA-N 1 1 302.871 2.848 40 0 DFABMO CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@H]1CCO ZINC000078922881 185129468 /nfs/dbraw/zinc/12/94/68/185129468.db2.gz MOHXNLCZKNOJMZ-ZDUSSCGKSA-N 1 1 305.397 2.932 40 0 DFABMO CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@H]1CCO ZINC000078922881 185129471 /nfs/dbraw/zinc/12/94/71/185129471.db2.gz MOHXNLCZKNOJMZ-ZDUSSCGKSA-N 1 1 305.397 2.932 40 0 DFABMO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000012291138 398385779 /nfs/dbraw/zinc/38/57/79/398385779.db2.gz LYFPXGQILICRLL-IFXJQAMLSA-N 1 1 316.445 2.751 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000019575036 398407486 /nfs/dbraw/zinc/40/74/86/398407486.db2.gz LDARSZITWJJGDR-INMHGKMJSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCN2C[C@H]1C ZINC000019575036 398407491 /nfs/dbraw/zinc/40/74/91/398407491.db2.gz LDARSZITWJJGDR-INMHGKMJSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCN2C[C@H]1C ZINC000019575036 398407493 /nfs/dbraw/zinc/40/74/93/398407493.db2.gz LDARSZITWJJGDR-INMHGKMJSA-N 1 1 316.445 2.762 40 0 DFABMO c1cncc(O[C@@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)c1 ZINC000585103810 398431870 /nfs/dbraw/zinc/43/18/70/398431870.db2.gz DBFMQILGFVMAKL-INIZCTEOSA-N 1 1 313.426 2.616 40 0 DFABMO Cc1nc(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(C)C)C2)cs1 ZINC000585101838 398432276 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FC(F)(F)c1ccnc(N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)n1 ZINC000096075982 426397040 /nfs/dbraw/zinc/39/70/40/426397040.db2.gz IAVZOCKTIHTILV-CQSZACIVSA-N 1 1 312.339 2.560 40 0 DFABMO Cc1cc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)no1 ZINC000096106018 426397906 /nfs/dbraw/zinc/39/79/06/426397906.db2.gz IBTHUTZMKSIALN-QGZVFWFLSA-N 1 1 320.433 2.781 40 0 DFABMO Fc1ccc(C[N@@H+]2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113209 426398415 /nfs/dbraw/zinc/39/84/15/426398415.db2.gz RFGMMCDVGZEHCB-QGZVFWFLSA-N 1 1 302.349 2.501 40 0 biogenic,in-vitro DFABMO Fc1ccc(C[N@H+]2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113209 426398418 /nfs/dbraw/zinc/39/84/18/426398418.db2.gz RFGMMCDVGZEHCB-QGZVFWFLSA-N 1 1 302.349 2.501 40 0 biogenic,in-vitro DFABMO CO[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000096110498 426398501 /nfs/dbraw/zinc/39/85/01/426398501.db2.gz MHYAWORVKBFBNA-OALUTQOASA-N 1 1 303.446 2.993 40 0 DFABMO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](CC4CC4)C[C@H]3F)nc2c1 ZINC000096112322 426398537 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ZINC000057797297 184053192 /nfs/dbraw/zinc/05/31/92/184053192.db2.gz PCKMEQRLZSUUNY-UHFFFAOYSA-N 1 1 302.422 2.632 40 0 DFABMO CC(C)OCCC[N@@H+](Cc1cnn(C)c1)Cc1ccccn1 ZINC000057797297 184053193 /nfs/dbraw/zinc/05/31/93/184053193.db2.gz PCKMEQRLZSUUNY-UHFFFAOYSA-N 1 1 302.422 2.632 40 0 DFABMO O=C(c1ccncc1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC000063528490 184284565 /nfs/dbraw/zinc/28/45/65/184284565.db2.gz BBBWTEUJXRQTHO-FQEVSTJZSA-N 1 1 321.424 2.962 40 0 DFABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccs1 ZINC000072227269 257122223 /nfs/dbraw/zinc/12/22/23/257122223.db2.gz GKGAVQMKKXAMEW-NEPJUHHUSA-N 1 1 323.215 2.926 40 0 DFABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072228232 257122630 /nfs/dbraw/zinc/12/26/30/257122630.db2.gz MVHMVQCVLYJDBR-HUUCEWRRSA-N 1 1 304.752 2.890 40 0 DFABMO CCc1noc(C)c1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000585101385 543460170 /nfs/dbraw/zinc/46/01/70/543460170.db2.gz FTQFIVVSAHUFEX-LBPRGKRZSA-N 1 1 308.426 2.787 40 0 DFABMO 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301.390 2.535 40 0 DFABMO c1cc2n(n1)C[C@H](COCC1CC1)C[N@H+](Cc1ccoc1)C2 ZINC000096189087 426405334 /nfs/dbraw/zinc/40/53/34/426405334.db2.gz RXKLMBXKXMPDQY-MRXNPFEDSA-N 1 1 301.390 2.535 40 0 DFABMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000096188927 426405374 /nfs/dbraw/zinc/40/53/74/426405374.db2.gz NSYLSAMWVUQMIF-CQSZACIVSA-N 1 1 305.447 2.922 40 0 DFABMO CC(C)[N@@H+](C)Cc1cn2c(n1)CN(Cc1cccs1)CC2 ZINC000096197198 426405973 /nfs/dbraw/zinc/40/59/73/426405973.db2.gz QGERTXMEIDMKFQ-UHFFFAOYSA-N 1 1 304.463 2.801 40 0 DFABMO Cc1nc(CN2CCC3(C[NH+](Cc4ccccn4)C3)C2)cs1 ZINC000096202527 426406486 /nfs/dbraw/zinc/40/64/86/426406486.db2.gz KJMWNJAIJOGRRT-UHFFFAOYSA-N 1 1 314.458 2.554 40 0 DFABMO Cc1nc(C[N@@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cs1 ZINC000096202527 426406490 /nfs/dbraw/zinc/40/64/90/426406490.db2.gz KJMWNJAIJOGRRT-UHFFFAOYSA-N 1 1 314.458 2.554 40 0 DFABMO Cc1nc(C[N@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cs1 ZINC000096202527 426406492 /nfs/dbraw/zinc/40/64/92/426406492.db2.gz 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c1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391202 /nfs/dbraw/zinc/39/12/02/426391202.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 1 1 322.456 2.965 40 0 DFABMO c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391206 /nfs/dbraw/zinc/39/12/06/426391206.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 1 1 322.456 2.965 40 0 DFABMO Fc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000096053801 426392377 /nfs/dbraw/zinc/39/23/77/426392377.db2.gz BYCRVBWDJKWOGE-IAGOWNOFSA-N 1 1 311.404 2.785 40 0 DFABMO CC[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392722 /nfs/dbraw/zinc/39/27/22/426392722.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 1 1 318.461 2.630 40 0 DFABMO CCN1CCOC[C@]2(CCC[N@H+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392724 /nfs/dbraw/zinc/39/27/24/426392724.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 1 1 318.461 2.630 40 0 DFABMO CCN1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392726 /nfs/dbraw/zinc/39/27/26/426392726.db2.gz 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ZINC000096241255 426411127 /nfs/dbraw/zinc/41/11/27/426411127.db2.gz BJGXWBCQAOCKAN-VKZRIFJHSA-N 1 1 320.408 2.698 40 0 DFABMO Fc1ccc(-c2n[nH]c3c2CC[N@H+](C2CCOCC2)CC3)cc1 ZINC000096254386 426411178 /nfs/dbraw/zinc/41/11/78/426411178.db2.gz DOJTWZAUUOFYRW-UHFFFAOYSA-N 1 1 315.392 2.795 40 0 DFABMO c1ccn(Cc2ncn3c2C[N@H+](Cc2ccncc2)CCC3)c1 ZINC000096259459 426411693 /nfs/dbraw/zinc/41/16/93/426411693.db2.gz TUWSJSGXEFWMAK-UHFFFAOYSA-N 1 1 307.401 2.534 40 0 DFABMO c1ccn(Cc2ncn3c2C[N@@H+](Cc2ccncc2)CCC3)c1 ZINC000096259459 426411695 /nfs/dbraw/zinc/41/16/95/426411695.db2.gz TUWSJSGXEFWMAK-UHFFFAOYSA-N 1 1 307.401 2.534 40 0 DFABMO CC(C)C[N@H+]1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096296471 426412373 /nfs/dbraw/zinc/41/23/73/426412373.db2.gz DICGTUXZKKTPSQ-CYBMUJFWSA-N 1 1 318.339 2.836 40 0 biogenic,in-vitro DFABMO c1coc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC000096206607 426407154 /nfs/dbraw/zinc/40/71/54/426407154.db2.gz RMXXPGGLNVTDMI-OAHLLOKOSA-N 1 1 301.390 2.535 40 0 DFABMO 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QFTVYFGYGIYQGL-HOJAQTOUSA-N 1 1 324.472 2.903 40 0 DFABMO CCn1nccc1CN[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195559948 426539237 /nfs/dbraw/zinc/53/92/37/426539237.db2.gz QFTVYFGYGIYQGL-HOJAQTOUSA-N 1 1 324.472 2.903 40 0 DFABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 ZINC000248110844 426981979 /nfs/dbraw/zinc/98/19/79/426981979.db2.gz HFHZFOCWFVKYHD-UXHICEINSA-N 1 1 307.441 2.929 40 0 DFABMO OCCCNc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329034316 427032101 /nfs/dbraw/zinc/03/21/01/427032101.db2.gz QXQRSAFGKMVDIG-UHFFFAOYSA-N 1 1 324.428 2.711 40 0 DFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000251566509 427161532 /nfs/dbraw/zinc/16/15/32/427161532.db2.gz HBEGYKGREYREFS-AEFFLSMTSA-N 1 1 313.445 2.718 40 0 DFABMO CC(C)n1nccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256054425 427304623 /nfs/dbraw/zinc/30/46/23/427304623.db2.gz WEYCDWYMEKFTNR-UHFFFAOYSA-N 1 1 301.316 2.513 40 0 DFABMO COc1cccc(F)c1C[N@H+]1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257215588 427312437 /nfs/dbraw/zinc/31/24/37/427312437.db2.gz CQUFKINFWMDHDW-IRXDYDNUSA-N 1 1 309.381 2.604 40 0 DFABMO COc1cccc(F)c1C[N@@H+]1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257215588 427312443 /nfs/dbraw/zinc/31/24/43/427312443.db2.gz CQUFKINFWMDHDW-IRXDYDNUSA-N 1 1 309.381 2.604 40 0 DFABMO O[C@@H]1CCCOC12CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC000257216791 427315019 /nfs/dbraw/zinc/31/50/19/427315019.db2.gz CWBHYCVVYXALJG-OAHLLOKOSA-N 1 1 313.800 2.985 40 0 DFABMO CC(C)[N@H+]1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257262964 427327258 /nfs/dbraw/zinc/32/72/58/427327258.db2.gz LNUMHVVHBQLWKZ-LLVKDONJSA-N 1 1 318.446 2.591 40 0 DFABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257265929 427327995 /nfs/dbraw/zinc/32/79/95/427327995.db2.gz MAXNUYAJZYGVFY-ROUUACIJSA-N 1 1 318.392 2.731 40 0 DFABMO CN(C)c1ncc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257301507 427333457 /nfs/dbraw/zinc/33/34/57/427333457.db2.gz RYTSTBTUJQPHBV-KRWDZBQOSA-N 1 1 311.433 2.535 40 0 DFABMO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000191993117 427458243 /nfs/dbraw/zinc/45/82/43/427458243.db2.gz ASFUPTYNMGGWDV-OAHLLOKOSA-N 1 1 304.434 2.927 40 0 DFABMO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000191993117 427458250 /nfs/dbraw/zinc/45/82/50/427458250.db2.gz ASFUPTYNMGGWDV-OAHLLOKOSA-N 1 1 304.434 2.927 40 0 DFABMO C[C@H]1CN(CC[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000192845839 427621735 /nfs/dbraw/zinc/62/17/35/427621735.db2.gz VVNTVVJJHRQINM-STQMWFEESA-N 1 1 308.388 2.618 40 0 DFABMO C[C@H]1C[N@@H+](CCSCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000192616250 427573014 /nfs/dbraw/zinc/57/30/14/427573014.db2.gz DMUHIPRVTCREJN-WMZOPIPTSA-N 1 1 320.502 2.572 40 0 DFABMO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306145304 277204699 /nfs/dbraw/zinc/20/46/99/277204699.db2.gz AZRRTMMTPAOFIL-KRWDZBQOSA-N 1 1 320.389 2.631 40 0 DFABMO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000585099329 430478761 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c1cncc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)o2)c1 ZINC000072389979 191147422 /nfs/dbraw/zinc/14/74/22/191147422.db2.gz RLJNBYGCQKEIEK-MRXNPFEDSA-N 1 1 321.384 2.906 40 0 DFABMO c1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4cccnc4)C3)o2)nc1 ZINC000072390032 191147825 /nfs/dbraw/zinc/14/78/25/191147825.db2.gz XUBBVYRNMIWQMB-HNNXBMFYSA-N 1 1 321.384 2.906 40 0 DFABMO c1cncc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389982 191148238 /nfs/dbraw/zinc/14/82/38/191148238.db2.gz XJHXIPJHJJFOMY-MRXNPFEDSA-N 1 1 321.384 2.906 40 0 DFABMO c1cncc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389953 191148566 /nfs/dbraw/zinc/14/85/66/191148566.db2.gz WHECRPVVQVIFKR-INIZCTEOSA-N 1 1 321.384 2.906 40 0 DFABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)nc1 ZINC000096047176 283033466 /nfs/dbraw/zinc/03/34/66/283033466.db2.gz CWWBLIRHEJZCPW-KRWDZBQOSA-N 1 1 316.380 2.701 40 0 DFABMO CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)C2CCC2)CC1 ZINC000192838493 200950780 /nfs/dbraw/zinc/95/07/80/200950780.db2.gz 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CC(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019016246 182103935 /nfs/dbraw/zinc/10/39/35/182103935.db2.gz ICUAGVHUWJGDRR-UHFFFAOYSA-N 1 1 302.418 2.671 40 0 DFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1OC ZINC000019561004 182130633 /nfs/dbraw/zinc/13/06/33/182130633.db2.gz BKIAIVYJUSRCMP-OAHLLOKOSA-N 1 1 313.401 2.873 40 0 DFABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3ccccn3)[C@H]2C1 ZINC000019446594 182123711 /nfs/dbraw/zinc/12/37/11/182123711.db2.gz IIFGOOPHYAIGTP-WBVHZDCISA-N 1 1 301.434 2.551 40 0 DFABMO C[NH+](C)CCN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019582862 182132499 /nfs/dbraw/zinc/13/24/99/182132499.db2.gz IEKLDGWQEAETGD-UHFFFAOYSA-N 1 1 321.896 2.551 40 0 DFABMO Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCCC[N@@H+]2C)CC1 ZINC000019747099 182142673 /nfs/dbraw/zinc/14/26/73/182142673.db2.gz JGDOEHBAAYPUBK-KRWDZBQOSA-N 1 1 319.449 2.557 40 0 DFABMO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4ccncc4C)C[C@H]23)cc1 ZINC000072343275 256545255 /nfs/dbraw/zinc/54/52/55/256545255.db2.gz VKNIUXSAIYILOP-ROUUACIJSA-N 1 1 307.397 2.933 40 0 DFABMO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4ccncc4C)C[C@H]23)cc1 ZINC000072343275 256545258 /nfs/dbraw/zinc/54/52/58/256545258.db2.gz VKNIUXSAIYILOP-ROUUACIJSA-N 1 1 307.397 2.933 40 0 DFABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1 ZINC000072227169 257122374 /nfs/dbraw/zinc/12/23/74/257122374.db2.gz XDFWWVXTHIBXMS-CABCVRRESA-N 1 1 302.761 2.764 40 0 DFABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2)cc1Cl ZINC000072227887 257122411 /nfs/dbraw/zinc/12/24/11/257122411.db2.gz JZUFLSSYXQOLRD-GJZGRUSLSA-N 1 1 302.761 2.764 40 0 DFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227949 257122728 /nfs/dbraw/zinc/12/27/28/257122728.db2.gz ZTVQYHBQBXNFJP-CABCVRRESA-N 1 1 302.761 2.764 40 0 DFABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000036139432 257129805 /nfs/dbraw/zinc/12/98/05/257129805.db2.gz SSSCGDAKSKRICC-LSDHHAIUSA-N 1 1 302.761 2.764 40 0 DFABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccco3)n[nH]2)ccc1OC 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DFABMO COCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221078 425820122 /nfs/dbraw/zinc/82/01/22/425820122.db2.gz OVMOYXKFTCNZLF-HNNXBMFYSA-N 1 1 324.852 2.705 40 0 DFABMO O[C@@H](CC[NH+]1CCOCC1)C1c2ccccc2Cc2ccccc21 ZINC000031666590 425835846 /nfs/dbraw/zinc/83/58/46/425835846.db2.gz DLMQSNWNJFNAOY-FQEVSTJZSA-N 1 1 323.436 2.806 40 0 DFABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC000044670727 425857546 /nfs/dbraw/zinc/85/75/46/425857546.db2.gz PMPQMTDWLDFJLB-INIZCTEOSA-N 1 1 324.380 2.790 40 0 DFABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107226032 425986421 /nfs/dbraw/zinc/98/64/21/425986421.db2.gz UJIULTFOMYEFJM-MOPGFXCFSA-N 1 1 324.428 2.631 40 0 DFABMO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)c1 ZINC000072367810 426015942 /nfs/dbraw/zinc/01/59/42/426015942.db2.gz NQOFGFRJFNBCQJ-INIZCTEOSA-N 1 1 309.413 2.722 40 0 DFABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)c1 ZINC000072367810 426015945 /nfs/dbraw/zinc/01/59/45/426015945.db2.gz 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Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1c1cc(C)n2ccnc2n1 ZINC000257202993 427310600 /nfs/dbraw/zinc/31/06/00/427310600.db2.gz AOEMYCZFSDXQNN-INIZCTEOSA-N 1 1 310.405 2.796 40 0 DFABMO Cc1ccccc1OCC(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257219324 427314676 /nfs/dbraw/zinc/31/46/76/427314676.db2.gz DGKBYUCGOXGKQE-HKUYNNGSSA-N 1 1 316.445 2.849 40 0 DFABMO Cc1ncc2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n21 ZINC000257214397 427315110 /nfs/dbraw/zinc/31/51/10/427315110.db2.gz CLVKCFVEZZWTSO-INIZCTEOSA-N 1 1 307.401 2.812 40 0 DFABMO CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)[nH]n1 ZINC000257234568 427316611 /nfs/dbraw/zinc/31/66/11/427316611.db2.gz GUEICOVVSLOMNK-RDJZCZTQSA-N 1 1 304.438 2.622 40 0 DFABMO CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)n[nH]1 ZINC000257234568 427316617 /nfs/dbraw/zinc/31/66/17/427316617.db2.gz GUEICOVVSLOMNK-RDJZCZTQSA-N 1 1 304.438 2.622 40 0 DFABMO CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)n[nH]1 ZINC000257234568 427316622 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CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1cccnc1 ZINC000022931751 182342580 /nfs/dbraw/zinc/34/25/80/182342580.db2.gz IRVWNFVZAXCNJC-IBGZPJMESA-N 1 1 310.445 2.963 40 0 DFABMO C[C@H](c1cnccn1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000044029897 183392471 /nfs/dbraw/zinc/39/24/71/183392471.db2.gz GJRVSVWJOAWVAA-GFCCVEGCSA-N 1 1 306.410 2.527 40 0 DFABMO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000624245673 399611636 /nfs/dbraw/zinc/61/16/36/399611636.db2.gz MLFMRNYWYTZYKV-HFTRVMKXSA-N 1 1 319.424 2.655 40 0 DFABMO O=C(c1cc2c(cccc2F)[nH]1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000084451578 542509947 /nfs/dbraw/zinc/50/99/47/542509947.db2.gz OPPLLHCSDOFDST-GFCCVEGCSA-N 1 1 301.365 2.617 40 0 DFABMO C[N@H+]1CCC[C@@H](NC(=O)c2occc2COc2ccccc2)C1 ZINC000083877798 542504426 /nfs/dbraw/zinc/50/44/26/542504426.db2.gz OFSUTJWJQBPUHD-OAHLLOKOSA-N 1 1 314.385 2.683 40 0 DFABMO O[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCOC1)c1ccco1 ZINC000084134899 542506310 /nfs/dbraw/zinc/50/63/10/542506310.db2.gz 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COc1ccc2nc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2c1 ZINC000072324520 191123428 /nfs/dbraw/zinc/12/34/28/191123428.db2.gz DRNXFUKSMYPUDH-WMLDXEAASA-N 1 1 311.429 2.912 40 0 DFABMO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000072339827 191126343 /nfs/dbraw/zinc/12/63/43/191126343.db2.gz APKUCCMOIKTZRH-AWEZNQCLSA-N 1 1 322.412 2.959 40 0 DFABMO CCN1CC[NH2+][C@@H](Cc2cccc(-c3cccs3)c2)C1=O ZINC000072352878 191128481 /nfs/dbraw/zinc/12/84/81/191128481.db2.gz AAHAZLVSWZWCBY-HNNXBMFYSA-N 1 1 300.427 2.778 40 0 DFABMO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072359964 191130945 /nfs/dbraw/zinc/13/09/45/191130945.db2.gz HLIMPMFKVTYWKK-AWEZNQCLSA-N 1 1 312.421 2.906 40 0 DFABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072355599 191129969 /nfs/dbraw/zinc/12/99/69/191129969.db2.gz RENDITDBWPRUGQ-QGZVFWFLSA-N 1 1 322.416 2.646 40 0 DFABMO Cc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](CCO)C1 ZINC000072361610 191131801 /nfs/dbraw/zinc/13/18/01/191131801.db2.gz RMSFKZSRKJRRRZ-HNNXBMFYSA-N 1 1 313.401 2.749 40 0 DFABMO CC(=O)N1CCC([C@H]2CCCC[N@H+]2Cc2ccccn2)CC1 ZINC000072363814 191132706 /nfs/dbraw/zinc/13/27/06/191132706.db2.gz YBCAZOJLYKQJDV-GOSISDBHSA-N 1 1 301.434 2.695 40 0 DFABMO NC(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072367812 191137554 /nfs/dbraw/zinc/13/75/54/191137554.db2.gz IKLQSUGMHWVEGU-ZDUSSCGKSA-N 1 1 313.376 2.552 40 0 DFABMO NC(=O)C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072367812 191137556 /nfs/dbraw/zinc/13/75/56/191137556.db2.gz IKLQSUGMHWVEGU-ZDUSSCGKSA-N 1 1 313.376 2.552 40 0 DFABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1Cc1ccncc1 ZINC000096205724 398659581 /nfs/dbraw/zinc/65/95/81/398659581.db2.gz RDOUKYTXJASLGC-CVEARBPZSA-N 1 1 313.426 2.519 40 0 DFABMO CCN1CC[NH+](Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000072393631 191149392 /nfs/dbraw/zinc/14/93/92/191149392.db2.gz ZXYVNDONWNVCIC-UHFFFAOYSA-N 1 1 300.450 2.998 40 0 DFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393825 191149714 /nfs/dbraw/zinc/14/97/14/191149714.db2.gz DJVMBFUUQGVVQW-CQSZACIVSA-N 1 1 323.400 2.741 40 0 DFABMO CN(C(=O)c1cncc([C@H]2CCC[N@@H+](C)C2)n1)C1CCCCC1 ZINC000072387123 191145520 /nfs/dbraw/zinc/14/55/20/191145520.db2.gz XGVGHIUKYKLUAS-AWEZNQCLSA-N 1 1 316.449 2.691 40 0 DFABMO COc1ccccc1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005527571 181253792 /nfs/dbraw/zinc/25/37/92/181253792.db2.gz AMOKRMWLMZIUII-GDBMZVCRSA-N 1 1 302.418 2.690 40 0 DFABMO C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2[C@@H]1C ZINC000005758911 181281336 /nfs/dbraw/zinc/28/13/36/181281336.db2.gz YDJNSPIIQAKURJ-IDCNUPLLSA-N 1 1 300.446 2.997 40 0 DFABMO CCOc1cccc(C[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000078880186 398994262 /nfs/dbraw/zinc/99/42/62/398994262.db2.gz AKVYIROKKRMIBJ-ZDUSSCGKSA-N 1 1 300.406 2.864 40 0 DFABMO CN(Cc1ccc(Cl)cc1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000079112669 399017280 /nfs/dbraw/zinc/01/72/80/399017280.db2.gz UJZGPLXIMSGDIG-UHFFFAOYSA-N 1 1 318.808 2.603 40 0 DFABMO C[N@H+]1CCC[C@@H]2N(C(=O)COc3cccc(F)c3)CCC[C@@]21C ZINC000257307888 203032343 /nfs/dbraw/zinc/03/23/43/203032343.db2.gz TUNFFVXNCXHXNM-WMZOPIPTSA-N 1 1 320.408 2.680 40 0 DFABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2cnccc2C)C1 ZINC000257309306 203034070 /nfs/dbraw/zinc/03/40/70/203034070.db2.gz UAJXRHKATOQLSB-OAHLLOKOSA-N 1 1 311.433 2.676 40 0 DFABMO C[C@@]1(O)CC[N@H+](Cc2cncs2)C[C@H]1Oc1ccccc1 ZINC000257280072 203007933 /nfs/dbraw/zinc/00/79/33/203007933.db2.gz OJIBSIYNOVDAEP-HZPDHXFCSA-N 1 1 304.415 2.547 40 0 DFABMO C[C@@]1(O)CC[N@@H+](Cc2cncs2)C[C@H]1Oc1ccccc1 ZINC000257280072 203007936 /nfs/dbraw/zinc/00/79/36/203007936.db2.gz OJIBSIYNOVDAEP-HZPDHXFCSA-N 1 1 304.415 2.547 40 0 DFABMO COc1cccc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)c1F ZINC000257279088 203009244 /nfs/dbraw/zinc/00/92/44/203009244.db2.gz OEZIXZMNKXKJKI-AWEZNQCLSA-N 1 1 301.365 2.922 40 0 DFABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccsc3)C2)[nH+]1 ZINC000257282274 203010154 /nfs/dbraw/zinc/01/01/54/203010154.db2.gz OTCIDKRJQPWOCX-AWEZNQCLSA-N 1 1 301.415 2.850 40 0 DFABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cncs2)nc1 ZINC000257340762 203062098 /nfs/dbraw/zinc/06/20/98/203062098.db2.gz ZHLJEVXQYJJNCP-INIZCTEOSA-N 1 1 316.430 2.511 40 0 DFABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cncs2)nc1 ZINC000257340762 203062101 /nfs/dbraw/zinc/06/21/01/203062101.db2.gz ZHLJEVXQYJJNCP-INIZCTEOSA-N 1 1 316.430 2.511 40 0 DFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1nccs1)CC2 ZINC000096051750 193503732 /nfs/dbraw/zinc/50/37/32/193503732.db2.gz JHHBVQZBIBYOKB-OAHLLOKOSA-N 1 1 323.506 2.854 40 0 DFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncnc3nc[nH]c32)C1 ZINC000016758126 182060145 /nfs/dbraw/zinc/06/01/45/182060145.db2.gz NXZZPJIANTUEQC-BETUJISGSA-N 1 1 302.426 2.523 40 0 DFABMO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncnc3[nH]cnc32)C1 ZINC000016758126 182060146 /nfs/dbraw/zinc/06/01/46/182060146.db2.gz NXZZPJIANTUEQC-BETUJISGSA-N 1 1 302.426 2.523 40 0 DFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncnc3[nH]cnc32)C1 ZINC000016758126 182060147 /nfs/dbraw/zinc/06/01/47/182060147.db2.gz NXZZPJIANTUEQC-BETUJISGSA-N 1 1 302.426 2.523 40 0 DFABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372791 182120988 /nfs/dbraw/zinc/12/09/88/182120988.db2.gz NODBEUOYVUNKEU-PCCBWWKXSA-N 1 1 322.452 2.549 40 0 DFABMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372791 182120989 /nfs/dbraw/zinc/12/09/89/182120989.db2.gz NODBEUOYVUNKEU-PCCBWWKXSA-N 1 1 322.452 2.549 40 0 DFABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372791 182120990 /nfs/dbraw/zinc/12/09/90/182120990.db2.gz NODBEUOYVUNKEU-PCCBWWKXSA-N 1 1 322.452 2.549 40 0 DFABMO CO[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020238676 182199424 /nfs/dbraw/zinc/19/94/24/182199424.db2.gz CDXSPWSFUARVGQ-LJQANCHMSA-N 1 1 324.424 2.719 40 0 DFABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccnc1 ZINC000022931748 182341807 /nfs/dbraw/zinc/34/18/07/182341807.db2.gz IRVWNFVZAXCNJC-LJQANCHMSA-N 1 1 310.445 2.963 40 0 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2.539 40 0 DFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ncccc2C)n1 ZINC000257253368 427325226 /nfs/dbraw/zinc/32/52/26/427325226.db2.gz JYPJLAXOWVXBMN-IBGZPJMESA-N 1 1 324.428 2.758 40 0 DFABMO CN(C)c1cc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)ccn1 ZINC000257268096 427327313 /nfs/dbraw/zinc/32/73/13/427327313.db2.gz MKESQVUBKQPPCR-KRWDZBQOSA-N 1 1 303.450 2.754 40 0 DFABMO COc1cccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1F ZINC000257327763 427331048 /nfs/dbraw/zinc/33/10/48/427331048.db2.gz XCPDKNPBIAYOSN-RDJZCZTQSA-N 1 1 309.381 2.604 40 0 DFABMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCCC(=O)N(C)C ZINC000079090609 274380611 /nfs/dbraw/zinc/38/06/11/274380611.db2.gz GCWDDRCEADKUPK-WBVHZDCISA-N 1 1 304.434 2.707 40 0 DFABMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC(=O)N(C)C ZINC000079090609 274380613 /nfs/dbraw/zinc/38/06/13/274380613.db2.gz GCWDDRCEADKUPK-WBVHZDCISA-N 1 1 304.434 2.707 40 0 DFABMO CC(=O)Nc1nc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000191946265 275497837 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/nfs/dbraw/zinc/40/77/75/398407775.db2.gz KGINJGPQFHPISR-SFHVURJKSA-N 1 1 322.416 2.851 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000019575688 398407073 /nfs/dbraw/zinc/40/70/73/398407073.db2.gz LDARSZITWJJGDR-VYDXJSESSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000019575688 398407075 /nfs/dbraw/zinc/40/70/75/398407075.db2.gz LDARSZITWJJGDR-VYDXJSESSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000019575688 398407077 /nfs/dbraw/zinc/40/70/77/398407077.db2.gz LDARSZITWJJGDR-VYDXJSESSA-N 1 1 316.445 2.762 40 0 DFABMO C[N@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)c1nccc2ccccc21 ZINC000019712575 398408791 /nfs/dbraw/zinc/40/87/91/398408791.db2.gz BHFDJFDDXBFPKF-IAGOWNOFSA-N 1 1 309.413 2.934 40 0 DFABMO O=C1CC[C@]2(CCC[N@@H+](CC3CC3)CC2)N1Cc1cncs1 ZINC000585099942 398431911 /nfs/dbraw/zinc/43/19/11/398431911.db2.gz ASVIYRNKZGABFC-KRWDZBQOSA-N 1 1 319.474 2.900 40 0 DFABMO Cc1ccc(C[N@H+]2CC[C@](O)(COc3ccccc3C)C2)cn1 ZINC000585275940 398438243 /nfs/dbraw/zinc/43/82/43/398438243.db2.gz GUVJTTQSVLUJMA-LJQANCHMSA-N 1 1 312.413 2.714 40 0 DFABMO CO[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000585275029 398438322 /nfs/dbraw/zinc/43/83/22/398438322.db2.gz UGBSQGMLMWPKQC-SFHVURJKSA-N 1 1 315.417 2.778 40 0 DFABMO CO[C@H]1CC[N@@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1F ZINC000585275185 398438583 /nfs/dbraw/zinc/43/85/83/398438583.db2.gz ZHLZCQRKQPBSJU-QAPCUYQASA-N 1 1 317.408 2.937 40 0 DFABMO Cc1cc(OC[C@@]2(O)COCC[N@H+](C3CCCC3)C2)ccc1F ZINC000585280906 398439552 /nfs/dbraw/zinc/43/95/52/398439552.db2.gz CADFFANSSSFXSK-SFHVURJKSA-N 1 1 323.408 2.519 40 0 DFABMO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3cccc(C)n3)C2)cc1 ZINC000585269165 398437240 /nfs/dbraw/zinc/43/72/40/398437240.db2.gz LBGMDPYQMCZJGR-IBGZPJMESA-N 1 1 312.413 2.714 40 0 DFABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cn1nc3c(cc1=O)CCC3)C2 ZINC000072403299 191151401 /nfs/dbraw/zinc/15/14/01/191151401.db2.gz OSLPUCIHRWQHJB-RDTXWAMCSA-N 1 1 301.434 2.590 40 0 DFABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cn1nc3c(cc1=O)CCC3)C2 ZINC000072403299 191151403 /nfs/dbraw/zinc/15/14/03/191151403.db2.gz OSLPUCIHRWQHJB-RDTXWAMCSA-N 1 1 301.434 2.590 40 0 DFABMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000006001512 181304934 /nfs/dbraw/zinc/30/49/34/181304934.db2.gz HXXBTMYMILNHMO-OAHLLOKOSA-N 1 1 323.433 2.708 40 0 DFABMO Cc1cc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)[nH]n1 ZINC000078901088 398997674 /nfs/dbraw/zinc/99/76/74/398997674.db2.gz YGOYYHGAGZYQIK-MAUKXSAKSA-N 1 1 324.428 2.703 40 0 DFABMO Cc1cc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 ZINC000078901088 398997680 /nfs/dbraw/zinc/99/76/80/398997680.db2.gz YGOYYHGAGZYQIK-MAUKXSAKSA-N 1 1 324.428 2.703 40 0 DFABMO Cc1cc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 ZINC000078901088 398997685 /nfs/dbraw/zinc/99/76/85/398997685.db2.gz YGOYYHGAGZYQIK-MAUKXSAKSA-N 1 1 324.428 2.703 40 0 DFABMO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CS3)n1 ZINC000247877219 202694934 /nfs/dbraw/zinc/69/49/34/202694934.db2.gz PGDIIUFJYCNGJY-MRXNPFEDSA-N 1 1 304.459 2.877 40 0 DFABMO COc1ccc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)c(F)c1 ZINC000257275657 203003852 /nfs/dbraw/zinc/00/38/52/203003852.db2.gz NQHQWEMXLYZHSH-AWEZNQCLSA-N 1 1 301.365 2.922 40 0 DFABMO c1ccc(OCC[N@H+]2CCC3(CC(Nc4ccncn4)C3)C2)cc1 ZINC000257299665 203023494 /nfs/dbraw/zinc/02/34/94/203023494.db2.gz RQZZNUYEJMHMIK-UHFFFAOYSA-N 1 1 324.428 2.822 40 0 DFABMO Cn1cncc1C[N@@H+]1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257300831 203025753 /nfs/dbraw/zinc/02/57/53/203025753.db2.gz RVWBFWXFRPLMHV-CQSZACIVSA-N 1 1 319.836 2.765 40 0 DFABMO Cn1cncc1C[N@H+]1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257300831 203025756 /nfs/dbraw/zinc/02/57/56/203025756.db2.gz RVWBFWXFRPLMHV-CQSZACIVSA-N 1 1 319.836 2.765 40 0 DFABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257306552 203033064 /nfs/dbraw/zinc/03/30/64/203033064.db2.gz SUSUTVWRZOUSQS-AWEZNQCLSA-N 1 1 322.416 2.774 40 0 DFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257329075 203052872 /nfs/dbraw/zinc/05/28/72/203052872.db2.gz XIHMPRADAZYDSP-OAHLLOKOSA-N 1 1 311.429 2.578 40 0 DFABMO Cc1nc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)cc(=O)[nH]1 ZINC000257311935 203037509 /nfs/dbraw/zinc/03/75/09/203037509.db2.gz ULROOBMZXPSAMU-KRWDZBQOSA-N 1 1 324.384 2.545 40 0 DFABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCC2)[C@H](c2ccccc2)C1 ZINC000257314182 203038919 /nfs/dbraw/zinc/03/89/19/203038919.db2.gz UVQZHJSZFDRMEB-SFHVURJKSA-N 1 1 316.445 2.587 40 0 DFABMO Cc1cccc(N2CCC[C@H](NC(=O)Cc3cccs3)C2)[nH+]1 ZINC000257319671 203043045 /nfs/dbraw/zinc/04/30/45/203043045.db2.gz VTOKWIPKVGVTMW-AWEZNQCLSA-N 1 1 315.442 2.779 40 0 DFABMO Cc1ccccc1CNC(=O)c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000257342512 203065785 /nfs/dbraw/zinc/06/57/85/203065785.db2.gz ZOZYIUOCTAYYDN-MRXNPFEDSA-N 1 1 324.428 2.524 40 0 DFABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C(C)C)n2)cc1F ZINC000015674336 182011696 /nfs/dbraw/zinc/01/16/96/182011696.db2.gz CVHSSCXFYIFEIE-OCCSQVGLSA-N 1 1 305.353 2.700 40 0 biogenic,in-vitro DFABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C(C)C)n2)cc1F ZINC000015674336 182011698 /nfs/dbraw/zinc/01/16/98/182011698.db2.gz CVHSSCXFYIFEIE-OCCSQVGLSA-N 1 1 305.353 2.700 40 0 biogenic,in-vitro DFABMO O[C@H](CC[NH+]1CCOCC1)C1c2ccccc2Cc2ccccc21 ZINC000017013150 182067750 /nfs/dbraw/zinc/06/77/50/182067750.db2.gz DLMQSNWNJFNAOY-HXUWFJFHSA-N 1 1 323.436 2.806 40 0 DFABMO Cc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000019117992 182104917 /nfs/dbraw/zinc/10/49/17/182104917.db2.gz LEPBMSMLLQNRKE-AWEZNQCLSA-N 1 1 301.365 2.597 40 0 DFABMO CCC[NH+]1CCC(CNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000019502619 182126614 /nfs/dbraw/zinc/12/66/14/182126614.db2.gz XBUZYJWWLQIUNB-UHFFFAOYSA-N 1 1 318.465 2.530 40 0 DFABMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccnc(N2CCCC2)n1 ZINC000019456964 182123705 /nfs/dbraw/zinc/12/37/05/182123705.db2.gz LHVCMLVCBWJFEY-OAHLLOKOSA-N 1 1 311.433 2.535 40 0 DFABMO Cc1nc(CC(=O)N2CCC([C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC000019747018 182142141 /nfs/dbraw/zinc/14/21/41/182142141.db2.gz RURMISUXBNJCKJ-MRXNPFEDSA-N 1 1 321.490 2.717 40 0 DFABMO CCc1ccc2[nH]c(=O)c(C[NH2+]CCN(CC)CC)cc2c1 ZINC000019823952 182154230 /nfs/dbraw/zinc/15/42/30/182154230.db2.gz ZIEFYYVADASEDG-UHFFFAOYSA-N 1 1 301.434 2.522 40 0 DFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000021936024 182299149 /nfs/dbraw/zinc/29/91/49/182299149.db2.gz JABVDKIBIFERFL-UHFFFAOYSA-N 1 1 316.426 2.510 40 0 DFABMO OCCNCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000022877145 182339356 /nfs/dbraw/zinc/33/93/56/182339356.db2.gz MJVRFDRHASINIE-SFHVURJKSA-N 1 1 318.848 2.795 40 0 DFABMO CC[N@@H+]1CCC[C@@H]1CNCc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247893 182354884 /nfs/dbraw/zinc/35/48/84/182354884.db2.gz ZQSJBLIXHYUUEX-QGZVFWFLSA-N 1 1 313.445 2.719 40 0 DFABMO CC[N@H+]1CCC[C@@H]1CNCc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247893 182354885 /nfs/dbraw/zinc/35/48/85/182354885.db2.gz ZQSJBLIXHYUUEX-QGZVFWFLSA-N 1 1 313.445 2.719 40 0 DFABMO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000624245675 399611192 /nfs/dbraw/zinc/61/11/92/399611192.db2.gz MLFMRNYWYTZYKV-QGPMSJSTSA-N 1 1 319.424 2.655 40 0 DFABMO CC(C)C[N@H+]1CC[C@H](C(=O)NCCc2cc(F)cc(F)c2)C1 ZINC000084544243 542511455 /nfs/dbraw/zinc/51/14/55/542511455.db2.gz XTMTYGGGSKCIRB-AWEZNQCLSA-N 1 1 310.388 2.601 40 0 DFABMO CS(=O)(=O)CC[N@H+]1CCC[C@H]1Cc1cccc2ccccc21 ZINC000083984645 542505073 /nfs/dbraw/zinc/50/50/73/542505073.db2.gz NRIDNUKZBFPYSQ-KRWDZBQOSA-N 1 1 317.454 2.891 40 0 DFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2F)cc1 ZINC000072228095 257121256 /nfs/dbraw/zinc/12/12/56/257121256.db2.gz FPTQCFNPYJTLFU-HOTGVXAUSA-N 1 1 300.333 2.640 40 0 DFABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2F)cc1 ZINC000072228096 257121657 /nfs/dbraw/zinc/12/16/57/257121657.db2.gz FPTQCFNPYJTLFU-HZPDHXFCSA-N 1 1 300.333 2.640 40 0 DFABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000072227261 257122911 /nfs/dbraw/zinc/12/29/11/257122911.db2.gz WLTCOQNNQQJHNG-KGLIPLIRSA-N 1 1 317.186 2.864 40 0 DFABMO CC[NH+]1CCN(c2ncc(C(=O)c3ccccc3)cc2C)CC1 ZINC000072222584 257124587 /nfs/dbraw/zinc/12/45/87/257124587.db2.gz VMYXIERWMSHHQM-UHFFFAOYSA-N 1 1 309.413 2.763 40 0 DFABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000019132133 257231892 /nfs/dbraw/zinc/23/18/92/257231892.db2.gz ONEFDFDJUNSZFG-INIZCTEOSA-N 1 1 317.458 2.616 40 0 DFABMO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000019132136 257231903 /nfs/dbraw/zinc/23/19/03/257231903.db2.gz ONEFDFDJUNSZFG-MRXNPFEDSA-N 1 1 317.458 2.616 40 0 DFABMO CCC1=C(c2cccc(OC)c2)[C@@]([NH3+])(Cc2ccccc2)NN1 ZINC000228945425 257214671 /nfs/dbraw/zinc/21/46/71/257214671.db2.gz KHVPQHKYZVHJDF-LJQANCHMSA-N 1 1 309.413 2.822 40 0 DFABMO COc1ccc2c(c1)C=C(CN1C[C@@H]3CCC[N@H+]3C[C@H]1C)CO2 ZINC000072324700 286387568 /nfs/dbraw/zinc/38/75/68/286387568.db2.gz GXVYHJKWSNYSAI-PBHICJAKSA-N 1 1 314.429 2.640 40 0 DFABMO CC[C@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000001706329 425585349 /nfs/dbraw/zinc/58/53/49/425585349.db2.gz LGQDAXGQCNAMTN-KBPBESRZSA-N 1 1 314.223 2.593 40 0 DFABMO CC[C@H]1C[N@@H+](C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000001706329 425585352 /nfs/dbraw/zinc/58/53/52/425585352.db2.gz LGQDAXGQCNAMTN-KBPBESRZSA-N 1 1 314.223 2.593 40 0 DFABMO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)C[C@@]3(C)O ZINC000008652745 425673076 /nfs/dbraw/zinc/67/30/76/425673076.db2.gz FGJKCCRPDDSSOD-NXWXRZEISA-N 1 1 301.430 2.744 40 0 DFABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc(N)n2n1 ZINC000019129309 425790118 /nfs/dbraw/zinc/79/01/18/425790118.db2.gz BWFYBIYGZLKPBK-INIZCTEOSA-N 1 1 321.428 3.000 40 0 DFABMO CC[C@H](OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000034930246 425842930 /nfs/dbraw/zinc/84/29/30/425842930.db2.gz KRRYYKWWKBFUNM-ATLSCFEFSA-N 1 1 307.434 2.624 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000036718954 425846343 /nfs/dbraw/zinc/84/63/43/425846343.db2.gz LDARSZITWJJGDR-YQQAZPJKSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@H]2CCCN2C[C@@H]1C ZINC000036718954 425846344 /nfs/dbraw/zinc/84/63/44/425846344.db2.gz LDARSZITWJJGDR-YQQAZPJKSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@H]2CCCN2C[C@@H]1C ZINC000036718954 425846345 /nfs/dbraw/zinc/84/63/45/425846345.db2.gz LDARSZITWJJGDR-YQQAZPJKSA-N 1 1 316.445 2.762 40 0 DFABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000036741177 425846395 /nfs/dbraw/zinc/84/63/95/425846395.db2.gz LYFPXGQILICRLL-KUHUBIRLSA-N 1 1 316.445 2.751 40 0 DFABMO C[NH+]1CCN(CC(=O)Nc2ccc(-c3ccsc3)cc2)CC1 ZINC000069593463 425949749 /nfs/dbraw/zinc/94/97/49/425949749.db2.gz OPICYKZOECWQKI-UHFFFAOYSA-N 1 1 315.442 2.601 40 0 DFABMO COC(=O)CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000078760746 426185158 /nfs/dbraw/zinc/18/51/58/426185158.db2.gz MBZJFASNBCUYAM-CQSZACIVSA-N 1 1 305.374 2.548 40 0 DFABMO Cc1[nH+]ccn1Cc1cccc(CNc2ncnc3nc[nH]c32)c1 ZINC000079016637 426189138 /nfs/dbraw/zinc/18/91/38/426189138.db2.gz ACNJSQWHPXYVTM-UHFFFAOYSA-N 1 1 319.372 2.518 40 0 DFABMO CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000084284734 426236575 /nfs/dbraw/zinc/23/65/75/426236575.db2.gz KFKCFKPMMZNTAS-AWEZNQCLSA-N 1 1 323.506 2.595 40 0 DFABMO CC(C)(C)c1csc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000084284734 426236578 /nfs/dbraw/zinc/23/65/78/426236578.db2.gz KFKCFKPMMZNTAS-AWEZNQCLSA-N 1 1 323.506 2.595 40 0 DFABMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000084697613 426243142 /nfs/dbraw/zinc/24/31/42/426243142.db2.gz CSDCIZVAPJPMLB-SJLPKXTDSA-N 1 1 316.445 2.536 40 0 DFABMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000084697613 426243144 /nfs/dbraw/zinc/24/31/44/426243144.db2.gz CSDCIZVAPJPMLB-SJLPKXTDSA-N 1 1 316.445 2.536 40 0 DFABMO OC[C@@H]1CCC[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000084677632 426243553 /nfs/dbraw/zinc/24/35/53/426243553.db2.gz 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/nfs/dbraw/zinc/02/51/21/203025121.db2.gz RVWBFWXFRPLMHV-AWEZNQCLSA-N 1 1 319.836 2.765 40 0 DFABMO Cn1cncc1C[N@H+]1CCOC[C@@H](Cc2ccccc2Cl)C1 ZINC000257300830 203025124 /nfs/dbraw/zinc/02/51/24/203025124.db2.gz RVWBFWXFRPLMHV-AWEZNQCLSA-N 1 1 319.836 2.765 40 0 DFABMO Cc1nccc(C[C@H]2CCC[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]32)n1 ZINC000257281243 203011096 /nfs/dbraw/zinc/01/10/96/203011096.db2.gz OOHHAWKWDLLVDI-GPMSIDNRSA-N 1 1 315.461 2.855 40 0 DFABMO c1cc(C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n[nH]1 ZINC000257287737 203013496 /nfs/dbraw/zinc/01/34/96/203013496.db2.gz PRHBYASUXQIARX-OAHLLOKOSA-N 1 1 311.385 2.847 40 0 DFABMO c1cc(C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n[nH]1 ZINC000257287737 203013497 /nfs/dbraw/zinc/01/34/97/203013497.db2.gz PRHBYASUXQIARX-OAHLLOKOSA-N 1 1 311.385 2.847 40 0 DFABMO COc1ccc(C[N@H+]2CC[C@@H](c3n[nH]cc3C)C2)c(OC)c1 ZINC000257290660 203016298 /nfs/dbraw/zinc/01/62/98/203016298.db2.gz QDVHRKLJNAIYET-CQSZACIVSA-N 1 1 301.390 2.725 40 0 DFABMO COCC[N@H+]1CCC[C@H]1c1cccc(-c2cnc(C)n2C)n1 ZINC000257329401 203053391 /nfs/dbraw/zinc/05/33/91/203053391.db2.gz XJVMLADLIQGASD-INIZCTEOSA-N 1 1 300.406 2.574 40 0 DFABMO Cc1nccc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)n1 ZINC000257313464 203037817 /nfs/dbraw/zinc/03/78/17/203037817.db2.gz USPCCBWGQNDTIP-HHXXYDBFSA-N 1 1 324.428 2.778 40 0 DFABMO CNc1nc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)cn2cccc12 ZINC000257327070 203050084 /nfs/dbraw/zinc/05/00/84/203050084.db2.gz WZURUHRNXIVPAI-CQSZACIVSA-N 1 1 322.416 2.546 40 0 DFABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000257335719 203058695 /nfs/dbraw/zinc/05/86/95/203058695.db2.gz YLNQZINDYOFVNU-HNNXBMFYSA-N 1 1 323.444 2.995 40 0 DFABMO COC[C@@H]([NH2+]Cc1ccnn1C)c1cccc(C(F)(F)F)c1 ZINC000080203482 399126971 /nfs/dbraw/zinc/12/69/71/399126971.db2.gz DXZMYFZOVFOWLZ-CQSZACIVSA-N 1 1 313.323 2.916 40 0 DFABMO Cc1nc2c(c(N3CCCC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286203 182112199 /nfs/dbraw/zinc/11/21/99/182112199.db2.gz RLGBXGXVBJSUFL-UHFFFAOYSA-N 1 1 308.429 2.944 40 0 DFABMO Cc1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286203 182112201 /nfs/dbraw/zinc/11/22/01/182112201.db2.gz RLGBXGXVBJSUFL-UHFFFAOYSA-N 1 1 308.429 2.944 40 0 DFABMO Cc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019117933 182105174 /nfs/dbraw/zinc/10/51/74/182105174.db2.gz NJWLUFYUYGWAMX-CYBMUJFWSA-N 1 1 319.355 2.736 40 0 DFABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[nH]c(=O)c1C ZINC000019555366 182130469 /nfs/dbraw/zinc/13/04/69/182130469.db2.gz XLZNZQOVJXSSBB-OAHLLOKOSA-N 1 1 315.392 2.905 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000019575690 182131372 /nfs/dbraw/zinc/13/13/72/182131372.db2.gz LDARSZITWJJGDR-ZOBUZTSGSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000019575690 182131375 /nfs/dbraw/zinc/13/13/75/182131375.db2.gz LDARSZITWJJGDR-ZOBUZTSGSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000019575690 182131376 /nfs/dbraw/zinc/13/13/76/182131376.db2.gz LDARSZITWJJGDR-ZOBUZTSGSA-N 1 1 316.445 2.762 40 0 DFABMO CC(C)(CN1CCCCCC1)[NH2+]Cc1ccc(OCCO)cc1 ZINC000022917260 182340717 /nfs/dbraw/zinc/34/07/17/182340717.db2.gz UNPYUKMKKZXKGM-UHFFFAOYSA-N 1 1 320.477 2.802 40 0 DFABMO CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](CC)CC1 ZINC000113950676 194622485 /nfs/dbraw/zinc/62/24/85/194622485.db2.gz MMFCFMAMZBHTQD-MRXNPFEDSA-N 1 1 304.434 2.625 40 0 DFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)n1 ZINC000107204944 257121238 /nfs/dbraw/zinc/12/12/38/257121238.db2.gz BKRUFYZIFFYFMA-KKUMJFAQSA-N 1 1 308.447 2.692 40 0 DFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)n1 ZINC000107204944 257121239 /nfs/dbraw/zinc/12/12/39/257121239.db2.gz BKRUFYZIFFYFMA-KKUMJFAQSA-N 1 1 308.447 2.692 40 0 DFABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072228233 257122926 /nfs/dbraw/zinc/12/29/26/257122926.db2.gz MVHMVQCVLYJDBR-CABCVRRESA-N 1 1 304.752 2.890 40 0 DFABMO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216587 257125665 /nfs/dbraw/zinc/12/56/65/257125665.db2.gz RNROYLRIJJUMSG-QGZVFWFLSA-N 1 1 302.466 2.770 40 0 DFABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216587 257125666 /nfs/dbraw/zinc/12/56/66/257125666.db2.gz RNROYLRIJJUMSG-QGZVFWFLSA-N 1 1 302.466 2.770 40 0 DFABMO O=C(Nc1ccccc1)[C@@H]([NH2+]CCO)c1ccc(Cl)cc1 ZINC000408734474 257227461 /nfs/dbraw/zinc/22/74/61/257227461.db2.gz UBPLTLHKWGMHJP-HNNXBMFYSA-N 1 1 304.777 2.602 40 0 DFABMO Cc1ccccc1OC[C@H]1CN(C[NH+]2CCCCC2)C(=O)O1 ZINC000000090374 425534512 /nfs/dbraw/zinc/53/45/12/425534512.db2.gz RSUSNBFQFAHQOC-OAHLLOKOSA-N 1 1 304.390 2.638 40 0 DFABMO CCc1[nH]c2ccc(C(=O)NCCn3cc[nH+]c3C)cc2c1C ZINC000012147308 425719604 /nfs/dbraw/zinc/71/96/04/425719604.db2.gz ZKKPXEYTGFVWSF-UHFFFAOYSA-N 1 1 310.401 2.974 40 0 DFABMO CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c(C)c2c1 ZINC000012195162 425721121 /nfs/dbraw/zinc/72/11/21/425721121.db2.gz IHZZYQICIUPKPZ-CYBMUJFWSA-N 1 1 315.417 2.699 40 0 DFABMO Cc1oc2ccccc2c1C[N@H+]1CCc2nc(C)[nH]c(=O)c2C1 ZINC000012185054 425721467 /nfs/dbraw/zinc/72/14/67/425721467.db2.gz JWNHGGHBUMILAS-UHFFFAOYSA-N 1 1 309.369 2.691 40 0 DFABMO C[C@@H](O)C[N@@H+](Cc1ccc(O)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991785 425763673 /nfs/dbraw/zinc/76/36/73/425763673.db2.gz XXWRBMWHRHXZAG-CYBMUJFWSA-N 1 1 315.369 2.504 40 0 DFABMO COc1ccc(C[N@H+](Cc2ccoc2)C[C@H](C)O)cc1OC ZINC000013991773 425764756 /nfs/dbraw/zinc/76/47/56/425764756.db2.gz NHSWTXGACDVHOK-ZDUSSCGKSA-N 1 1 305.374 2.680 40 0 DFABMO COc1ccc(CCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046959351 425867162 /nfs/dbraw/zinc/86/71/62/425867162.db2.gz YSLKZIJNYDLMAC-MRXNPFEDSA-N 1 1 318.461 2.866 40 0 DFABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711943 426001372 /nfs/dbraw/zinc/00/13/72/426001372.db2.gz GSJKVUIANGPVCJ-RDJZCZTQSA-N 1 1 322.474 2.941 40 0 DFABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711943 426001374 /nfs/dbraw/zinc/00/13/74/426001374.db2.gz GSJKVUIANGPVCJ-RDJZCZTQSA-N 1 1 322.474 2.941 40 0 DFABMO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)no1 ZINC000107712057 426001389 /nfs/dbraw/zinc/00/13/89/426001389.db2.gz BUMAEPCSYFMNIP-ROUUACIJSA-N 1 1 320.433 2.781 40 0 DFABMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)no1 ZINC000107712057 426001390 /nfs/dbraw/zinc/00/13/90/426001390.db2.gz BUMAEPCSYFMNIP-ROUUACIJSA-N 1 1 320.433 2.781 40 0 DFABMO CC(C)NC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000108533833 426018046 /nfs/dbraw/zinc/01/80/46/426018046.db2.gz HNVNPJDIOIOKQM-SJLPKXTDSA-N 1 1 301.434 2.598 40 0 DFABMO Cc1ncc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000084290614 426236207 /nfs/dbraw/zinc/23/62/07/426236207.db2.gz ZCVFLOKNLDMSSK-VNHYZAJKSA-N 1 1 309.479 2.525 40 0 DFABMO O=C(NCc1ccc(O)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000084535976 426239599 /nfs/dbraw/zinc/23/95/99/426239599.db2.gz KKVHJNKRIBWTPA-GOSISDBHSA-N 1 1 310.397 2.673 40 0 DFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2cccs2)N1c1cccnc1 ZINC000096064717 426394791 /nfs/dbraw/zinc/39/47/91/426394791.db2.gz NZUCIIHAYJICDO-HOTGVXAUSA-N 1 1 313.426 2.913 40 0 DFABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@H]12 ZINC000096058421 426394970 /nfs/dbraw/zinc/39/49/70/426394970.db2.gz HFHZFOCWFVKYHD-PMACEKPBSA-N 1 1 307.441 2.929 40 0 DFABMO c1cc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)cs1 ZINC000096058717 426395044 /nfs/dbraw/zinc/39/50/44/426395044.db2.gz AGHCMTWSAONEIM-UHFFFAOYSA-N 1 1 314.458 2.739 40 0 DFABMO CCCCC[N@H+]1CCC[C@@]12CCCN(C(=O)CCC(=O)OC)C2 ZINC000096071316 426395889 /nfs/dbraw/zinc/39/58/89/426395889.db2.gz YLEHNILZFNMCHI-GOSISDBHSA-N 1 1 324.465 2.587 40 0 DFABMO COCC[N@H+]1CCCC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096075223 426396799 /nfs/dbraw/zinc/39/67/99/426396799.db2.gz OWLDUYBPNAVEOX-UHFFFAOYSA-N 1 1 320.408 2.543 40 0 DFABMO c1cc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CC2)C3)ccn1 ZINC000096107310 426397606 /nfs/dbraw/zinc/39/76/06/426397606.db2.gz VPFGTOWIZVTAEL-MSOLQXFVSA-N 1 1 302.418 2.632 40 0 DFABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)co1 ZINC000096110371 426398697 /nfs/dbraw/zinc/39/86/97/426398697.db2.gz SNQMADXINPHOKL-MSOLQXFVSA-N 1 1 314.385 2.735 40 0 DFABMO Fc1cccnc1O[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096107855 426399325 /nfs/dbraw/zinc/39/93/25/426399325.db2.gz IJBPYENBNYZNST-PBHICJAKSA-N 1 1 318.348 2.626 40 0 DFABMO c1cc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cs1 ZINC000096197254 426406756 /nfs/dbraw/zinc/40/67/56/426406756.db2.gz IDQSMACEESKCSF-UHFFFAOYSA-N 1 1 316.474 2.946 40 0 DFABMO COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC000096161570 426403731 /nfs/dbraw/zinc/40/37/31/426403731.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 1 1 323.440 2.654 40 0 DFABMO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403733 /nfs/dbraw/zinc/40/37/33/426403733.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 1 1 323.440 2.654 40 0 DFABMO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403735 /nfs/dbraw/zinc/40/37/35/426403735.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 1 1 323.440 2.654 40 0 DFABMO CCCCc1ncc(C[NH+]2CCC3(CC2)OCCC[C@@H]3OC)[nH]1 ZINC000095386727 426371563 /nfs/dbraw/zinc/37/15/63/426371563.db2.gz GDYWVOVQZPFHRF-INIZCTEOSA-N 1 1 321.465 2.912 40 0 DFABMO CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200623 426405967 /nfs/dbraw/zinc/40/59/67/426405967.db2.gz ZFVSPCWWIOQHOI-QZTJIDSGSA-N 1 1 317.408 2.781 40 0 DFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cccs1)C2 ZINC000096201052 426406249 /nfs/dbraw/zinc/40/62/49/426406249.db2.gz BHXIGEBMLGDBPF-UHFFFAOYSA-N 1 1 304.463 2.801 40 0 DFABMO Cc1noc([C@H]2COC[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]32)n1 ZINC000096040727 426390244 /nfs/dbraw/zinc/39/02/44/426390244.db2.gz HGCUPEUNJDXLAU-ZACQAIPSSA-N 1 1 313.401 2.548 40 0 DFABMO c1coc(C[N@@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)c1 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312.388 2.713 40 0 DFABMO Cc1cc(=O)c(O)c(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1C ZINC000062386931 184233587 /nfs/dbraw/zinc/23/35/87/184233587.db2.gz TVFLESFYAKPJHF-UGSOOPFHSA-N 1 1 304.434 2.800 40 0 DFABMO Cc1cc([C@H]2CCC[N@@H+](Cc3cn4c(n3)nc(C)cc4C)C2)[nH]n1 ZINC000084111348 542506331 /nfs/dbraw/zinc/50/63/31/542506331.db2.gz BJARCHPLGSBROU-HNNXBMFYSA-N 1 1 324.432 2.757 40 0 DFABMO Cc1cc([C@H]2CCC[N@H+](Cc3cn4c(n3)nc(C)cc4C)C2)n[nH]1 ZINC000084111348 542506334 /nfs/dbraw/zinc/50/63/34/542506334.db2.gz BJARCHPLGSBROU-HNNXBMFYSA-N 1 1 324.432 2.757 40 0 DFABMO Cc1cc([C@H]2CCC[N@@H+](Cc3cn4c(n3)nc(C)cc4C)C2)n[nH]1 ZINC000084111348 542506338 /nfs/dbraw/zinc/50/63/38/542506338.db2.gz BJARCHPLGSBROU-HNNXBMFYSA-N 1 1 324.432 2.757 40 0 DFABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)c1 ZINC000072227754 257122437 /nfs/dbraw/zinc/12/24/37/257122437.db2.gz SCQVUQWLMTVESB-LSDHHAIUSA-N 1 1 302.761 2.764 40 0 DFABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccs1 ZINC000072227267 257122579 /nfs/dbraw/zinc/12/25/79/257122579.db2.gz GKGAVQMKKXAMEW-RYUDHWBXSA-N 1 1 323.215 2.926 40 0 DFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227946 257122898 /nfs/dbraw/zinc/12/28/98/257122898.db2.gz ZTVQYHBQBXNFJP-LSDHHAIUSA-N 1 1 302.761 2.764 40 0 DFABMO CCOC(=O)[C@H]([NH3+])C1(Nc2ccc(OC)cc2)CCCCC1 ZINC000072210565 257128410 /nfs/dbraw/zinc/12/84/10/257128410.db2.gz QCKGUGVPMWCCHW-HNNXBMFYSA-N 1 1 306.406 2.700 40 0 DFABMO CSCC[C@H]([NH3+])c1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716589 257128812 /nfs/dbraw/zinc/12/88/12/257128812.db2.gz HNHCUSRFWKXGAH-LBPRGKRZSA-N 1 1 303.387 2.756 40 0 DFABMO O=C(c1ccco1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408607269 257229022 /nfs/dbraw/zinc/22/90/22/257229022.db2.gz KJOATADTSWZASF-QGZVFWFLSA-N 1 1 310.397 2.943 40 0 DFABMO C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1O ZINC000250077567 257214141 /nfs/dbraw/zinc/21/41/41/257214141.db2.gz OSQMEDIKTBFXHM-MAUKXSAKSA-N 1 1 312.413 2.863 40 0 DFABMO O=C(C[NH+]1CCC(c2ccncc2)CC1)NCc1cccs1 ZINC000057729401 425897211 /nfs/dbraw/zinc/89/72/11/425897211.db2.gz GVOBHIKPWQMZJA-UHFFFAOYSA-N 1 1 315.442 2.639 40 0 DFABMO COc1ccc2c3c1O[C@H]1C(OC)=CC[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000005966742 425625738 /nfs/dbraw/zinc/62/57/38/425625738.db2.gz XJZOLKDBHJPTAT-ATNYCFDYSA-N 1 1 313.397 2.504 40 0 biogenic,in-vitro DFABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012089297 425718179 /nfs/dbraw/zinc/71/81/79/425718179.db2.gz SLHANQORVAUSJQ-OAHLLOKOSA-N 1 1 309.369 2.827 40 0 DFABMO Cn1cccc1C[N@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012336916 425722808 /nfs/dbraw/zinc/72/28/08/425722808.db2.gz GHBKKTXPFWDZQR-OAHLLOKOSA-N 1 1 311.385 2.770 40 0 DFABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CC)CC1 ZINC000022030756 425797374 /nfs/dbraw/zinc/79/73/74/425797374.db2.gz LFJDZSWKYXYRJY-SJORKVTESA-N 1 1 320.477 2.577 40 0 DFABMO O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)Oc1ccccc1 ZINC000013425034 425753595 /nfs/dbraw/zinc/75/35/95/425753595.db2.gz DGRPNXSKYKPQDI-RDJZCZTQSA-N 1 1 303.402 2.873 40 0 DFABMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](C)O)cc1OC ZINC000013991750 425764124 /nfs/dbraw/zinc/76/41/24/425764124.db2.gz ZCGWUZCDFHFOPZ-ZDUSSCGKSA-N 1 1 305.374 2.680 40 0 DFABMO COc1ccc(C[N@H+](Cc2ccoc2)C[C@@H](C)O)cc1OC ZINC000013991770 425764506 /nfs/dbraw/zinc/76/45/06/425764506.db2.gz NHSWTXGACDVHOK-CYBMUJFWSA-N 1 1 305.374 2.680 40 0 DFABMO Cc1nc(N2CC[NH+](C)CC2)nc2c1Nc1ccccc1S2 ZINC000028646986 425822172 /nfs/dbraw/zinc/82/21/72/425822172.db2.gz HYPHGMNLWIKEMB-UHFFFAOYSA-N 1 1 313.430 2.745 40 0 in-vitro DFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(F)cc2)C1 ZINC000046960298 425867378 /nfs/dbraw/zinc/86/73/78/425867378.db2.gz OYDLFBBBPKNKNW-HNNXBMFYSA-N 1 1 306.425 2.997 40 0 DFABMO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000107204826 425986030 /nfs/dbraw/zinc/98/60/30/425986030.db2.gz NFBWXMJYGDZUQB-JYJNAYRXSA-N 1 1 319.401 2.574 40 0 DFABMO c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ccccn4)CO3)C2)cc1 ZINC000107226100 425986180 /nfs/dbraw/zinc/98/61/80/425986180.db2.gz ZFGZXWFEFLNVAI-MJGOQNOKSA-N 1 1 309.413 2.927 40 0 DFABMO CC[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccc(C)n2)C1 ZINC000107712366 426001078 /nfs/dbraw/zinc/00/10/78/426001078.db2.gz UPWTYKSDFTWTMY-MSOLQXFVSA-N 1 1 304.434 2.798 40 0 DFABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)c1 ZINC000072367808 426014897 /nfs/dbraw/zinc/01/48/97/426014897.db2.gz NFSAURXRGSWNNK-KRWDZBQOSA-N 1 1 323.440 2.646 40 0 DFABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)c1 ZINC000072367808 426014901 /nfs/dbraw/zinc/01/49/01/426014901.db2.gz NFSAURXRGSWNNK-KRWDZBQOSA-N 1 1 323.440 2.646 40 0 DFABMO O=C(c1cccs1)N1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000072343222 426016019 /nfs/dbraw/zinc/01/60/19/426016019.db2.gz SQIVTPKNNZSURM-UHFFFAOYSA-N 1 1 314.410 2.623 40 0 DFABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000108532852 426017464 /nfs/dbraw/zinc/01/74/64/426017464.db2.gz UXDJMGLZJKKPNJ-GUYCJALGSA-N 1 1 308.372 2.703 40 0 DFABMO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cncc(Cl)c1)C2 ZINC000108529957 426017499 /nfs/dbraw/zinc/01/74/99/426017499.db2.gz GGZCJDLYUBTKBQ-WBVHZDCISA-N 1 1 321.852 2.815 40 0 DFABMO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](CC)CC1 ZINC000113950673 426123791 /nfs/dbraw/zinc/12/37/91/426123791.db2.gz MMFCFMAMZBHTQD-INIZCTEOSA-N 1 1 304.434 2.625 40 0 DFABMO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1nc(C(C)(C)C)no1 ZINC000084667601 426242882 /nfs/dbraw/zinc/24/28/82/426242882.db2.gz ZMFGRLDQTTYQSA-VXGBXAGGSA-N 1 1 303.410 2.792 40 0 DFABMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccc(N2CCCC2=O)c1 ZINC000084656082 426243230 /nfs/dbraw/zinc/24/32/30/426243230.db2.gz NJUAHJUWETZBJU-CYBMUJFWSA-N 1 1 314.385 2.750 40 0 DFABMO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000084700112 426243479 /nfs/dbraw/zinc/24/34/79/426243479.db2.gz QPDVGROVGOBJFZ-WBVHZDCISA-N 1 1 308.466 2.526 40 0 DFABMO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000084697610 426243645 /nfs/dbraw/zinc/24/36/45/426243645.db2.gz CSDCIZVAPJPMLB-AEFFLSMTSA-N 1 1 316.445 2.536 40 0 DFABMO C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000084697610 426243649 /nfs/dbraw/zinc/24/36/49/426243649.db2.gz CSDCIZVAPJPMLB-AEFFLSMTSA-N 1 1 316.445 2.536 40 0 DFABMO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2cnn(C)c21 ZINC000096060063 426394301 /nfs/dbraw/zinc/39/43/01/426394301.db2.gz LFHHSFYZMMBDBF-CQSZACIVSA-N 1 1 305.447 2.926 40 0 DFABMO CC(C)OCc1ncn2c1C[N@H+](Cc1ccncc1)CCC2 ZINC000096059051 426394381 /nfs/dbraw/zinc/39/43/81/426394381.db2.gz KWAGPKVEWVOZIY-UHFFFAOYSA-N 1 1 300.406 2.609 40 0 DFABMO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096059051 426394385 /nfs/dbraw/zinc/39/43/85/426394385.db2.gz KWAGPKVEWVOZIY-UHFFFAOYSA-N 1 1 300.406 2.609 40 0 DFABMO c1nc(COCC2CC2)c2n1CCC[N@@H+](Cc1ccncc1)C2 ZINC000096059024 426394488 /nfs/dbraw/zinc/39/44/88/426394488.db2.gz LTVRXOVRFPHJDX-UHFFFAOYSA-N 1 1 312.417 2.611 40 0 DFABMO c1nc(COCC2CC2)c2n1CCC[N@H+](Cc1ccncc1)C2 ZINC000096059024 426394492 /nfs/dbraw/zinc/39/44/92/426394492.db2.gz LTVRXOVRFPHJDX-UHFFFAOYSA-N 1 1 312.417 2.611 40 0 DFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1ccco1)[C@@H]2C ZINC000096061986 426395008 /nfs/dbraw/zinc/39/50/08/426395008.db2.gz JOTYDBNTNZCQSY-CYBMUJFWSA-N 1 1 316.405 2.533 40 0 DFABMO Fc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cc1 ZINC000096070698 426396460 /nfs/dbraw/zinc/39/64/60/426396460.db2.gz IYGIOWSTBDHQIN-JCGIZDLHSA-N 1 1 313.376 2.968 40 0 DFABMO c1nc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)c[nH]1 ZINC000096081932 426396770 /nfs/dbraw/zinc/39/67/70/426396770.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 1 1 311.433 2.765 40 0 DFABMO c1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)[nH]1 ZINC000096081932 426396773 /nfs/dbraw/zinc/39/67/73/426396773.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 1 1 311.433 2.765 40 0 DFABMO c1ncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)[nH]1 ZINC000096081932 426396776 /nfs/dbraw/zinc/39/67/76/426396776.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 1 1 311.433 2.765 40 0 DFABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@H]12 ZINC000096100381 426397835 /nfs/dbraw/zinc/39/78/35/426397835.db2.gz CHYJWVKVZYFTJL-ICSRJNTNSA-N 1 1 321.424 2.570 40 0 DFABMO Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096107676 426399405 /nfs/dbraw/zinc/39/94/05/426399405.db2.gz IJBPYENBNYZNST-YOEHRIQHSA-N 1 1 318.348 2.626 40 0 DFABMO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cccs1)C2 ZINC000096111923 426399461 /nfs/dbraw/zinc/39/94/61/426399461.db2.gz VULQWMQAWIELDR-WFASDCNBSA-N 1 1 314.410 2.746 40 0 biogenic,in-vitro DFABMO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cccs1)C2 ZINC000096111923 426399463 /nfs/dbraw/zinc/39/94/63/426399463.db2.gz VULQWMQAWIELDR-WFASDCNBSA-N 1 1 314.410 2.746 40 0 biogenic,in-vitro DFABMO c1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402291 /nfs/dbraw/zinc/40/22/91/426402291.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402295 /nfs/dbraw/zinc/40/22/95/426402295.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402296 /nfs/dbraw/zinc/40/22/96/426402296.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@@H+](Cc1ccoc1)C2 ZINC000096189086 426404363 /nfs/dbraw/zinc/40/43/63/426404363.db2.gz RXKLMBXKXMPDQY-INIZCTEOSA-N 1 1 301.390 2.535 40 0 DFABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@H+](Cc1ccoc1)C2 ZINC000096189086 426404367 /nfs/dbraw/zinc/40/43/67/426404367.db2.gz RXKLMBXKXMPDQY-INIZCTEOSA-N 1 1 301.390 2.535 40 0 DFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nncs2)s1 ZINC000096184879 426404842 /nfs/dbraw/zinc/40/48/42/426404842.db2.gz PCQYONFLEBAUEU-OLZOCXBDSA-N 1 1 306.460 2.761 40 0 DFABMO COc1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1OC ZINC000095533452 426374189 /nfs/dbraw/zinc/37/41/89/426374189.db2.gz ZXNDXRSAECYHIE-OAHLLOKOSA-N 1 1 310.357 2.537 40 0 DFABMO O=C(c1ccoc1)N1CCC2(C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096202713 426406456 /nfs/dbraw/zinc/40/64/56/426406456.db2.gz YCMHVHSTAPLPMV-UHFFFAOYSA-N 1 1 314.360 2.767 40 0 DFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096038993 426389474 /nfs/dbraw/zinc/38/94/74/426389474.db2.gz ITOPJISNORFFIT-QZTJIDSGSA-N 1 1 305.418 2.713 40 0 DFABMO COc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096041599 426390217 /nfs/dbraw/zinc/39/02/17/426390217.db2.gz SCWSXQPOYGGTBP-IPMKNSEASA-N 1 1 317.429 2.854 40 0 DFABMO COc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096041599 426390220 /nfs/dbraw/zinc/39/02/20/426390220.db2.gz SCWSXQPOYGGTBP-IPMKNSEASA-N 1 1 317.429 2.854 40 0 DFABMO c1csc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096046483 426390234 /nfs/dbraw/zinc/39/02/34/426390234.db2.gz QOAICMZYAZHFHS-UHFFFAOYSA-N 1 1 305.472 2.913 40 0 DFABMO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047633 426390618 /nfs/dbraw/zinc/39/06/18/426390618.db2.gz WVIOTFNXTCKTOO-GUYCJALGSA-N 1 1 317.364 2.659 40 0 DFABMO c1cc(CO[C@@H]2C[N@@H+](C3CCCC3)[C@@H]3CCCO[C@H]23)ccn1 ZINC000096042530 426391639 /nfs/dbraw/zinc/39/16/39/426391639.db2.gz UPJONRHRMIYWNH-KURKYZTESA-N 1 1 302.418 2.773 40 0 DFABMO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000096057624 426392249 /nfs/dbraw/zinc/39/22/49/426392249.db2.gz TWXYQCLCDMFJEB-NUEKZKHPSA-N 1 1 317.364 2.664 40 0 DFABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)nc1 ZINC000096057005 426392306 /nfs/dbraw/zinc/39/23/06/426392306.db2.gz OUSDVTDCLSEYJO-RTBURBONSA-N 1 1 316.445 2.879 40 0 DFABMO c1coc(CN2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049468 426392572 /nfs/dbraw/zinc/39/25/72/426392572.db2.gz NEKVAWGOXXDFCX-SFHVURJKSA-N 1 1 304.434 2.604 40 0 DFABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccn2)N1c1ccccc1 ZINC000096056620 426392754 /nfs/dbraw/zinc/39/27/54/426392754.db2.gz PCZAKPRJJIWBRZ-QZTJIDSGSA-N 1 1 307.397 2.852 40 0 DFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000096053590 426393129 /nfs/dbraw/zinc/39/31/29/426393129.db2.gz IXHQRAKIVMRCTJ-VQIMIIECSA-N 1 1 322.408 2.790 40 0 DFABMO c1csc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)c1 ZINC000096055887 426393242 /nfs/dbraw/zinc/39/32/42/426393242.db2.gz IEVICQKEIOOVIJ-GVDBMIGSSA-N 1 1 316.426 2.559 40 0 DFABMO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](CC2CC2)C3)nc1 ZINC000096057084 426393250 /nfs/dbraw/zinc/39/32/50/426393250.db2.gz DBSSLVAYWJDCEV-SJLPKXTDSA-N 1 1 302.418 2.742 40 0 DFABMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)NC(C)C)O[C@@H]3C2)s1 ZINC000096217576 426407598 /nfs/dbraw/zinc/40/75/98/426407598.db2.gz YYWPIKBOWQHRQU-SQWLQELKSA-N 1 1 322.474 2.561 40 0 DFABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3ccccn3)C2)co1 ZINC000096208816 426407905 /nfs/dbraw/zinc/40/79/05/426407905.db2.gz IOBBCDOGFADIHT-AEFFLSMTSA-N 1 1 314.385 2.735 40 0 DFABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)o1 ZINC000096215518 426408238 /nfs/dbraw/zinc/40/82/38/426408238.db2.gz UUBRXIVEFUSTOV-SFHVURJKSA-N 1 1 319.449 2.812 40 0 DFABMO Cc1cccc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC000096203063 426408545 /nfs/dbraw/zinc/40/85/45/426408545.db2.gz BVCPFCFOKVOWRG-SFHVURJKSA-N 1 1 301.434 2.613 40 0 DFABMO O=C1N(c2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096224512 426408870 /nfs/dbraw/zinc/40/88/70/426408870.db2.gz ZAVHULOHDMRTHV-SFHVURJKSA-N 1 1 311.385 2.694 40 0 DFABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccccc1Cl)C2 ZINC000096220181 426409207 /nfs/dbraw/zinc/40/92/07/426409207.db2.gz OOQICNUWUJLMAO-DOTOQJQBSA-N 1 1 308.853 2.740 40 0 DFABMO c1cc(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)cc2c1OCO2 ZINC000096255082 426411057 /nfs/dbraw/zinc/41/10/57/426411057.db2.gz VDAIWCZXRCSYFE-UHFFFAOYSA-N 1 1 323.396 2.684 40 0 DFABMO Cc1ccc(N2C[C@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)s1 ZINC000096239346 426411620 /nfs/dbraw/zinc/41/16/20/426411620.db2.gz AMUUZNJKRHNSMW-QGZVFWFLSA-N 1 1 320.458 2.664 40 0 DFABMO FC(F)Oc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)c1 ZINC000195546397 426538771 /nfs/dbraw/zinc/53/87/71/426538771.db2.gz FCWTURLUCOCMHD-WFASDCNBSA-N 1 1 313.344 2.698 40 0 DFABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3nccs3)C[C@@H]12 ZINC000248136027 426984955 /nfs/dbraw/zinc/98/49/55/426984955.db2.gz OQCHDABNZFQHRS-AEFFLSMTSA-N 1 1 313.470 2.991 40 0 DFABMO CC(C)n1nccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256050692 427304065 /nfs/dbraw/zinc/30/40/65/427304065.db2.gz GDRHBDHKPRVJAH-UHFFFAOYSA-N 1 1 301.316 2.506 40 0 DFABMO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1c1ccccc1 ZINC000257205449 427309180 /nfs/dbraw/zinc/30/91/80/427309180.db2.gz AZCYFQVYMUUWHW-IBGZPJMESA-N 1 1 309.413 2.795 40 0 DFABMO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1c1ccccc1 ZINC000257205449 427309188 /nfs/dbraw/zinc/30/91/88/427309188.db2.gz AZCYFQVYMUUWHW-IBGZPJMESA-N 1 1 309.413 2.795 40 0 DFABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C)n2)nc1 ZINC000257210815 427309839 /nfs/dbraw/zinc/30/98/39/427309839.db2.gz BWHZRRONUGXQSD-IBGZPJMESA-N 1 1 324.428 2.758 40 0 DFABMO Cn1cc(C[N@H+]2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257204717 427310739 /nfs/dbraw/zinc/31/07/39/427310739.db2.gz AVZIDRLXKUXSAD-MRXNPFEDSA-N 1 1 324.428 2.593 40 0 DFABMO C[N@H+](Cc1nccs1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257209828 427310850 /nfs/dbraw/zinc/31/08/50/427310850.db2.gz BSAUHASDXRIKQI-VYDXJSESSA-N 1 1 318.442 2.936 40 0 DFABMO C[N@@H+](Cc1nccs1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257209828 427310856 /nfs/dbraw/zinc/31/08/56/427310856.db2.gz BSAUHASDXRIKQI-VYDXJSESSA-N 1 1 318.442 2.936 40 0 DFABMO CN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCC[N@@H+]2C)n1 ZINC000257200360 427311195 /nfs/dbraw/zinc/31/11/95/427311195.db2.gz ACYOUQJVOFMGNI-QGZVFWFLSA-N 1 1 310.401 2.516 40 0 DFABMO CN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCC[N@H+]2C)n1 ZINC000257200360 427311204 /nfs/dbraw/zinc/31/12/04/427311204.db2.gz ACYOUQJVOFMGNI-QGZVFWFLSA-N 1 1 310.401 2.516 40 0 DFABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1ccn[nH]1 ZINC000257235307 427320143 /nfs/dbraw/zinc/32/01/43/427320143.db2.gz GXGMMDZPQMIJPJ-OKZBNKHCSA-N 1 1 324.428 2.850 40 0 DFABMO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cc[nH]n1 ZINC000257235307 427320144 /nfs/dbraw/zinc/32/01/44/427320144.db2.gz GXGMMDZPQMIJPJ-OKZBNKHCSA-N 1 1 324.428 2.850 40 0 DFABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cc[nH]n1 ZINC000257235307 427320153 /nfs/dbraw/zinc/32/01/53/427320153.db2.gz GXGMMDZPQMIJPJ-OKZBNKHCSA-N 1 1 324.428 2.850 40 0 DFABMO Cc1nccnc1CC[C@H]1COCC[N@@H+]1Cc1cccs1 ZINC000257236771 427322124 /nfs/dbraw/zinc/32/21/24/427322124.db2.gz HDSHIPODEVHION-AWEZNQCLSA-N 1 1 303.431 2.680 40 0 DFABMO Cc1nccnc1CC[C@H]1COCC[N@H+]1Cc1cccs1 ZINC000257236771 427322127 /nfs/dbraw/zinc/32/21/27/427322127.db2.gz HDSHIPODEVHION-AWEZNQCLSA-N 1 1 303.431 2.680 40 0 DFABMO Cc1cnccc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257266236 427327417 /nfs/dbraw/zinc/32/74/17/427327417.db2.gz MCCHYWXYNCMTJO-RTBURBONSA-N 1 1 312.413 2.794 40 0 DFABMO C[N@H+](Cc1ncccc1Cl)[C@H](CC(N)=O)c1ccccc1 ZINC000528484066 429892851 /nfs/dbraw/zinc/89/28/51/429892851.db2.gz HYCUBYDYLLCSHL-OAHLLOKOSA-N 1 1 303.793 2.784 40 0 DFABMO C[N@@H+](Cc1ncccc1Cl)[C@H](CC(N)=O)c1ccccc1 ZINC000528484066 429892852 /nfs/dbraw/zinc/89/28/52/429892852.db2.gz HYCUBYDYLLCSHL-OAHLLOKOSA-N 1 1 303.793 2.784 40 0 DFABMO CCC[C@@H](C)[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099653 430478140 /nfs/dbraw/zinc/47/81/40/430478140.db2.gz UZWPGXDTRIBOCS-CJNGLKHVSA-N 1 1 307.463 2.756 40 0 DFABMO CC[C@H](C)N1C[C@@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1=O ZINC000585099481 430479014 /nfs/dbraw/zinc/47/90/14/430479014.db2.gz MEYMKYQIMXMDDU-LRDDRELGSA-N 1 1 307.463 2.674 40 0 DFABMO CC[C@H](C)N1C[C@@]2(CCC[N@@H+](Cc3csc(C)n3)C2)C1=O ZINC000585099481 430479020 /nfs/dbraw/zinc/47/90/20/430479020.db2.gz MEYMKYQIMXMDDU-LRDDRELGSA-N 1 1 307.463 2.674 40 0 DFABMO O=C1NCC[C@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1ccccc1 ZINC000096201810 280291332 /nfs/dbraw/zinc/29/13/32/280291332.db2.gz JRXBWVLEQZPIPK-FUHWJXTLSA-N 1 1 312.438 2.854 40 0 DFABMO Cc1nc(N[C@H](C)CO)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329011396 293341942 /nfs/dbraw/zinc/34/19/42/293341942.db2.gz MDZVXQPKHYPWRG-OLZOCXBDSA-N 1 1 312.417 2.529 40 0 DFABMO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000306124203 533702013 /nfs/dbraw/zinc/70/20/13/533702013.db2.gz BJGXWBCQAOCKAN-VUNQQRPYSA-N 1 1 320.408 2.698 40 0 DFABMO CC(=O)N1c2ccc([C@H](O)C[N@H+]3CCC[C@H](C)C3)cc2C[C@H]1C ZINC000247930722 341371325 /nfs/dbraw/zinc/37/13/25/341371325.db2.gz JQSQXGCRXLSEOA-IQUTYRLHSA-N 1 1 316.445 2.749 40 0 DFABMO CCC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCCC[C@H]3C)ccc21 ZINC000248068788 341372992 /nfs/dbraw/zinc/37/29/92/341372992.db2.gz FOLIBANCCVPVAU-RDTXWAMCSA-N 1 1 316.445 2.894 40 0 DFABMO CC(C)[N@H+]1CC[C@@H](c2nnn3cc(-c4cccnc4)ccc23)C1 ZINC000306125467 529072557 /nfs/dbraw/zinc/07/25/57/529072557.db2.gz CSBJUPGDCYNKMZ-MRXNPFEDSA-N 1 1 307.401 2.989 40 0 DFABMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900667 185125254 /nfs/dbraw/zinc/12/52/54/185125254.db2.gz LFENINAJDYFKGL-AAEUAGOBSA-N 1 1 316.380 2.588 40 0 DFABMO C[C@@H](CNc1ccnc2c(F)ccc(F)c12)N1CC[NH+](C)CC1 ZINC000078988177 185141043 /nfs/dbraw/zinc/14/10/43/185141043.db2.gz AKKBQRZAWIEPHW-LBPRGKRZSA-N 1 1 320.387 2.561 40 0 DFABMO CC(C)Oc1cccc(C[N@H+]2CC[C@H]3NC(=O)CCC[C@H]32)c1 ZINC000019713245 398408625 /nfs/dbraw/zinc/40/86/25/398408625.db2.gz XBFCWDILIATALI-IAGOWNOFSA-N 1 1 302.418 2.717 40 0 DFABMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C[C@H]1C ZINC000255961036 398426731 /nfs/dbraw/zinc/42/67/31/398426731.db2.gz REFZWWCXCXTUFF-FZDCUMRKSA-N 1 1 322.474 2.792 40 0 DFABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnc(C)s1)CC2 ZINC000585099947 398431997 /nfs/dbraw/zinc/43/19/97/398431997.db2.gz ASZDDPNIKLONFF-MRXNPFEDSA-N 1 1 307.463 2.819 40 0 DFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccc(C)s3)C2)C1 ZINC000585102693 398432251 /nfs/dbraw/zinc/43/22/51/398432251.db2.gz GKELXRNIWZBUMW-OAHLLOKOSA-N 1 1 308.491 2.989 40 0 DFABMO Cc1ccccc1OC[C@@]1(O)CC[N@H+](Cc2ccncc2C)C1 ZINC000585275903 398437883 /nfs/dbraw/zinc/43/78/83/398437883.db2.gz GJZAGMAEKBENCY-LJQANCHMSA-N 1 1 312.413 2.714 40 0 DFABMO Cc1ncccc1C[N@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585275014 398438794 /nfs/dbraw/zinc/43/87/94/398438794.db2.gz TWJUFPPOYDFLCV-SFHVURJKSA-N 1 1 316.376 2.545 40 0 DFABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@H+](C3CCC3)C2)c1 ZINC000585281819 398439344 /nfs/dbraw/zinc/43/93/44/398439344.db2.gz BLVWWXDAJWTNLB-LJQANCHMSA-N 1 1 319.445 2.606 40 0 DFABMO CCC(CC)[N@H+]1CC[C@H](O)[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585285990 398439437 /nfs/dbraw/zinc/43/94/37/398439437.db2.gz GIPAWHFLEYUIND-OALUTQOASA-N 1 1 321.461 2.669 40 0 DFABMO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000585273346 398437036 /nfs/dbraw/zinc/43/70/36/398437036.db2.gz CETLMUSHPYBJBQ-GOSISDBHSA-N 1 1 315.417 2.696 40 0 DFABMO Cc1ccc(C[N@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)cn1 ZINC000585269211 398437153 /nfs/dbraw/zinc/43/71/53/398437153.db2.gz LTBUMQTYPJLUBL-SFHVURJKSA-N 1 1 316.376 2.545 40 0 DFABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC000096255157 282385014 /nfs/dbraw/zinc/38/50/14/282385014.db2.gz SMWJJXDZQQOWMA-UHFFFAOYSA-N 1 1 324.384 2.942 40 0 DFABMO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccco2)Nc2ccccc21 ZINC000072327424 191122657 /nfs/dbraw/zinc/12/26/57/191122657.db2.gz YTMGEMWUZSXDMB-PZPSRYQVSA-N 1 1 309.369 2.568 40 0 DFABMO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@H+]3Cc2ccco2)Nc2ccccc21 ZINC000072327424 191122660 /nfs/dbraw/zinc/12/26/60/191122660.db2.gz YTMGEMWUZSXDMB-PZPSRYQVSA-N 1 1 309.369 2.568 40 0 DFABMO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@]32Nc3ccccc3C(=O)N2)o1 ZINC000072327425 191122946 /nfs/dbraw/zinc/12/29/46/191122946.db2.gz WKDLEJJUXBPDEV-IRWQIABSSA-N 1 1 323.396 2.877 40 0 DFABMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@]32Nc3ccccc3C(=O)N2)o1 ZINC000072327425 191122948 /nfs/dbraw/zinc/12/29/48/191122948.db2.gz WKDLEJJUXBPDEV-IRWQIABSSA-N 1 1 323.396 2.877 40 0 DFABMO Cc1cc(C)nc(Nc2cc([C@@H]3CCC[N@H+](C)C3)nc(C)n2)n1 ZINC000072360109 191130267 /nfs/dbraw/zinc/13/02/67/191130267.db2.gz ZRKNIMJJVAPACZ-CQSZACIVSA-N 1 1 312.421 2.745 40 0 DFABMO Cc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](CCO)C3)n2)c1 ZINC000072361635 191131319 /nfs/dbraw/zinc/13/13/19/191131319.db2.gz PHSZFTJAXCXPTK-OAHLLOKOSA-N 1 1 313.401 2.749 40 0 DFABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(N3CCCOCC3)n2)C1 ZINC000072365299 191133981 /nfs/dbraw/zinc/13/39/81/191133981.db2.gz KVVRNCAMEJBKAI-MRXNPFEDSA-N 1 1 303.450 2.896 40 0 DFABMO COc1cccc(C[N@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393822 191149861 /nfs/dbraw/zinc/14/98/61/191149861.db2.gz PWMHUYJKVHLMCR-AWEZNQCLSA-N 1 1 323.400 2.741 40 0 DFABMO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000006001472 181304877 /nfs/dbraw/zinc/30/48/77/181304877.db2.gz HXXBTMYMILNHMO-HNNXBMFYSA-N 1 1 323.433 2.708 40 0 DFABMO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000194473825 201234180 /nfs/dbraw/zinc/23/41/80/201234180.db2.gz MZDGCHDZQJLKNX-DLBZAZTESA-N 1 1 302.462 2.881 40 0 DFABMO NC(=O)NC1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194614684 201262535 /nfs/dbraw/zinc/26/25/35/201262535.db2.gz VLOOGPYQRGWBDX-UHFFFAOYSA-N 1 1 316.232 2.669 40 0 DFABMO C[C@H](CCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1 ZINC000194819786 201296295 /nfs/dbraw/zinc/29/62/95/201296295.db2.gz BQORAQGVSHAFDX-IAGOWNOFSA-N 1 1 304.478 2.957 40 0 DFABMO C[C@H](CC[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1 ZINC000194819786 201296299 /nfs/dbraw/zinc/29/62/99/201296299.db2.gz BQORAQGVSHAFDX-IAGOWNOFSA-N 1 1 304.478 2.957 40 0 DFABMO C[C@H](CC[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1 ZINC000194819786 201296302 /nfs/dbraw/zinc/29/63/02/201296302.db2.gz BQORAQGVSHAFDX-IAGOWNOFSA-N 1 1 304.478 2.957 40 0 DFABMO CCOc1cccc(C[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000078880190 398994922 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CCc1onc(C)c1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000195567604 323284198 /nfs/dbraw/zinc/28/41/98/323284198.db2.gz LHHUJKJSILUDLM-AWEZNQCLSA-N 1 1 307.438 2.786 40 0 DFABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@@H](c1ccoc1)CO2 ZINC000306145736 526396310 /nfs/dbraw/zinc/39/63/10/526396310.db2.gz OVRQVSRTSKIZRV-CQSZACIVSA-N 1 1 322.405 2.710 40 0 DFABMO COC(=O)[C@H](CCCC[NH2+][Si](C)(C)C)N[Si](C)(C)C ZINC000195807547 563678565 /nfs/dbraw/zinc/67/85/65/563678565.db2.gz XNNSMELHXVUNMU-LBPRGKRZSA-N 1 1 304.583 2.547 40 0 DFABMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000074701873 185010474 /nfs/dbraw/zinc/01/04/74/185010474.db2.gz FRWLEHGZIRJJFG-UHFFFAOYSA-N 1 1 311.429 2.600 40 0 DFABMO CC(C)[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079416194 185170746 /nfs/dbraw/zinc/17/07/46/185170746.db2.gz OIDKBXCOYFGCJK-UHFFFAOYSA-N 1 1 304.434 2.694 40 0 DFABMO CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079416179 185170866 /nfs/dbraw/zinc/17/08/66/185170866.db2.gz VMXFQPYEOVOYAS-QGZVFWFLSA-N 1 1 304.434 2.694 40 0 DFABMO CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079416179 185170867 /nfs/dbraw/zinc/17/08/67/185170867.db2.gz VMXFQPYEOVOYAS-QGZVFWFLSA-N 1 1 304.434 2.694 40 0 DFABMO CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079416179 185170868 /nfs/dbraw/zinc/17/08/68/185170868.db2.gz VMXFQPYEOVOYAS-QGZVFWFLSA-N 1 1 304.434 2.694 40 0 DFABMO Cc1nnc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000079442895 185171604 /nfs/dbraw/zinc/17/16/04/185171604.db2.gz QBJILTMHDMSISW-YOEHRIQHSA-N 1 1 314.433 2.720 40 0 DFABMO CCc1[nH+]ccn1CCCNC(=O)/C=C/c1ccc(OC)cc1 ZINC000010363737 398377512 /nfs/dbraw/zinc/37/75/12/398377512.db2.gz CYEGPUUFPHOXMU-JXMROGBWSA-N 1 1 313.401 2.674 40 0 DFABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2C[C@@H]2CCCO2)CC1 ZINC000585099879 398431860 /nfs/dbraw/zinc/43/18/60/398431860.db2.gz OOJBAIRBFLHDNA-WMZOPIPTSA-N 1 1 308.466 2.669 40 0 DFABMO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000585274421 398438464 /nfs/dbraw/zinc/43/84/64/398438464.db2.gz KWPXAMXEXBBVCJ-KRWDZBQOSA-N 1 1 319.380 2.527 40 0 DFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H](O)C2)[nH]1 ZINC000585279776 398439507 /nfs/dbraw/zinc/43/95/07/398439507.db2.gz ORWCTEIUZNFNOX-AEFFLSMTSA-N 1 1 313.445 2.706 40 0 DFABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCCCCC1 ZINC000585287089 398439568 /nfs/dbraw/zinc/43/95/68/398439568.db2.gz SMEMFQDINMDVQZ-MSOLQXFVSA-N 1 1 322.493 2.795 40 0 DFABMO Cc1ccccc1C[C@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@@H]1O ZINC000585279760 398439624 /nfs/dbraw/zinc/43/96/24/398439624.db2.gz ODMPMZWQHFFNQZ-MOPGFXCFSA-N 1 1 311.429 2.519 40 0 DFABMO Cc1cccc(OC[C@]2(O)CC[N@@H+](Cc3ccncc3C)C2)c1 ZINC000585269382 398436927 /nfs/dbraw/zinc/43/69/27/398436927.db2.gz REIUZTLTUZWSSJ-IBGZPJMESA-N 1 1 312.413 2.714 40 0 DFABMO CC(=O)c1ccc(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000083843733 192387029 /nfs/dbraw/zinc/38/70/29/192387029.db2.gz YPRXFFKUTZWTDP-WBVHZDCISA-N 1 1 315.417 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NUEVISOXBRSMRS-ZDUSSCGKSA-N 1 1 311.389 2.593 40 0 DFABMO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072359963 191130842 /nfs/dbraw/zinc/13/08/42/191130842.db2.gz HLIMPMFKVTYWKK-CQSZACIVSA-N 1 1 312.421 2.906 40 0 DFABMO Cc1cc(Nc2cnccn2)nc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072359966 191130856 /nfs/dbraw/zinc/13/08/56/191130856.db2.gz ZNBGCCLNWJJRRE-AWEZNQCLSA-N 1 1 312.421 2.906 40 0 DFABMO Cc1cc(CCC(N)=O)cc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360466 191131578 /nfs/dbraw/zinc/13/15/78/191131578.db2.gz NRCHAPQKGIFWQG-GOSISDBHSA-N 1 1 324.428 2.540 40 0 DFABMO Cc1cc(C(=O)NCc2ccccc2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072369309 191140056 /nfs/dbraw/zinc/14/00/56/191140056.db2.gz LDWCSHRTBSTORG-MRXNPFEDSA-N 1 1 324.428 2.524 40 0 DFABMO COc1ccc(C[N@H+]2CCC[C@H](Cc3ccc(N)nn3)C2)cc1 ZINC000072387381 191144749 /nfs/dbraw/zinc/14/47/49/191144749.db2.gz NXWCPWHXNSCEBB-OAHLLOKOSA-N 1 1 312.417 2.522 40 0 DFABMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000072390047 191147134 /nfs/dbraw/zinc/14/71/34/191147134.db2.gz ICGMROLFVRSIKE-HNNXBMFYSA-N 1 1 321.384 2.906 40 0 DFABMO Cn1nc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)c2nccnc21 ZINC000072393847 191148945 /nfs/dbraw/zinc/14/89/45/191148945.db2.gz DCDVTJNMPHGBLP-ZDUSSCGKSA-N 1 1 313.430 2.804 40 0 DFABMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000081361772 192257420 /nfs/dbraw/zinc/25/74/20/192257420.db2.gz GCDDKYCNDDMDPD-NVXWUHKLSA-N 1 1 316.445 2.743 40 0 DFABMO Cc1cnc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)o1 ZINC000195263124 201369514 /nfs/dbraw/zinc/36/95/14/201369514.db2.gz SSAWQMXEIKDFIB-CQSZACIVSA-N 1 1 320.462 2.702 40 0 DFABMO CC[N@@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000092056772 193149760 /nfs/dbraw/zinc/14/97/60/193149760.db2.gz PPIJHFPPSXGPAW-ZDUSSCGKSA-N 1 1 300.196 2.549 40 0 DFABMO CC[N@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000092056772 193149761 /nfs/dbraw/zinc/14/97/61/193149761.db2.gz PPIJHFPPSXGPAW-ZDUSSCGKSA-N 1 1 300.196 2.549 40 0 DFABMO CO[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@@]12CCCO2 ZINC000257261704 202992661 /nfs/dbraw/zinc/99/26/61/202992661.db2.gz LILPMKOZNKOGDV-ROUUACIJSA-N 1 1 300.402 2.938 40 0 DFABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnccn2)n1 ZINC000257307473 203032821 /nfs/dbraw/zinc/03/28/21/203032821.db2.gz SYTOKTRVBRSSIT-KRWDZBQOSA-N 1 1 320.400 2.609 40 0 DFABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnccn2)n1 ZINC000257307473 203032825 /nfs/dbraw/zinc/03/28/25/203032825.db2.gz SYTOKTRVBRSSIT-KRWDZBQOSA-N 1 1 320.400 2.609 40 0 DFABMO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1c1ccccc1 ZINC000257287618 203013083 /nfs/dbraw/zinc/01/30/83/203013083.db2.gz PQSVLKNUJSPIIF-LJQANCHMSA-N 1 1 309.413 2.795 40 0 DFABMO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1c1ccccc1 ZINC000257287618 203013085 /nfs/dbraw/zinc/01/30/85/203013085.db2.gz PQSVLKNUJSPIIF-LJQANCHMSA-N 1 1 309.413 2.795 40 0 DFABMO C[N@@H+](Cc1cncs1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257312012 203036668 /nfs/dbraw/zinc/03/66/68/203036668.db2.gz UMAKODIVPPCWHO-IKGGRYGDSA-N 1 1 318.442 2.936 40 0 DFABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000257313506 203039075 /nfs/dbraw/zinc/03/90/75/203039075.db2.gz USWKAAXTQGSKCK-ZDUSSCGKSA-N 1 1 315.396 2.507 40 0 DFABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)cn3C)C2)cc(OC)c1 ZINC000257336040 203059080 /nfs/dbraw/zinc/05/90/80/203059080.db2.gz YMXBMEWRKRLFNF-OAHLLOKOSA-N 1 1 315.417 2.735 40 0 DFABMO C[C@H]1C[C@@H](NC(=O)C2=CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000079944938 399099700 /nfs/dbraw/zinc/09/97/00/399099700.db2.gz OVVNCKWHYWMQLW-RDJZCZTQSA-N 1 1 314.429 2.850 40 0 DFABMO O=C(c1ccoc1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053882 193504861 /nfs/dbraw/zinc/50/48/61/193504861.db2.gz UMMUXIIRMITQDF-IYBDPMFKSA-N 1 1 314.360 2.623 40 0 DFABMO CC1CCC([NH+]2CCC(N(C)CCC3OCCO3)CC2)CC1 ZINC000195565931 399186365 /nfs/dbraw/zinc/18/63/65/399186365.db2.gz FRBQRUSAARURCQ-UHFFFAOYSA-N 1 1 310.482 2.724 40 0 DFABMO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000195565838 399186931 /nfs/dbraw/zinc/18/69/31/399186931.db2.gz UZCDJECSIJDSTP-PVAVHDDUSA-N 1 1 303.402 2.710 40 0 DFABMO C[C@H](C[N@H+]1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000195572850 399187919 /nfs/dbraw/zinc/18/79/19/399187919.db2.gz JVKKQTKFBFTIQE-RHSMWYFYSA-N 1 1 308.853 2.850 40 0 DFABMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016739457 182059553 /nfs/dbraw/zinc/05/95/53/182059553.db2.gz KKFOLMRJEYQFJU-UXLLHSPISA-N 1 1 319.445 2.997 40 0 DFABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)n1 ZINC000019236182 182111124 /nfs/dbraw/zinc/11/11/24/182111124.db2.gz RFTQDHLMJVXFLC-FQEVSTJZSA-N 1 1 321.424 2.711 40 0 DFABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000019338247 182116999 /nfs/dbraw/zinc/11/69/99/182116999.db2.gz VFXSTQQWCCDMFU-DFNIBXOVSA-N 1 1 309.413 2.596 40 0 DFABMO COc1cccc(C[N@@H+]2CCN(Cc3ccccn3)[C@@H](C)C2)c1 ZINC000019575654 182131104 /nfs/dbraw/zinc/13/11/04/182131104.db2.gz LSDJMAJIABREFF-INIZCTEOSA-N 1 1 311.429 2.797 40 0 DFABMO COc1cccc(C[N@H+]2CCN(Cc3ccccn3)[C@@H](C)C2)c1 ZINC000019575654 182131106 /nfs/dbraw/zinc/13/11/06/182131106.db2.gz LSDJMAJIABREFF-INIZCTEOSA-N 1 1 311.429 2.797 40 0 DFABMO Cn1nccc1C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658620 182134893 /nfs/dbraw/zinc/13/48/93/182134893.db2.gz MQSWVHJYVFVROP-AWEZNQCLSA-N 1 1 309.417 2.751 40 0 DFABMO CNC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000019745939 182141685 /nfs/dbraw/zinc/14/16/85/182141685.db2.gz QIIGCHCOEXWWCP-IBGZPJMESA-N 1 1 316.445 2.748 40 0 DFABMO O=C(Cc1cccc(F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019934920 182167507 /nfs/dbraw/zinc/16/75/07/182167507.db2.gz HMQHPDLVBPNBEC-UHFFFAOYSA-N 1 1 312.388 2.713 40 0 DFABMO CCOC(=O)c1c2c(sc1-n1cccc1C=O)C[N@@H+](C)CC2 ZINC000020131633 182190798 /nfs/dbraw/zinc/19/07/98/182190798.db2.gz WDEKAPOMXASOPM-UHFFFAOYSA-N 1 1 318.398 2.516 40 0 DFABMO CCOC(=O)c1c2c(sc1-n1cccc1C=O)C[N@H+](C)CC2 ZINC000020131633 182190800 /nfs/dbraw/zinc/19/08/00/182190800.db2.gz 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542507962 /nfs/dbraw/zinc/50/79/62/542507962.db2.gz BNFUQVRJLGZAHJ-UHFFFAOYSA-N 1 1 311.429 2.907 40 0 DFABMO CC(C)[N@@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000080746669 257121157 /nfs/dbraw/zinc/12/11/57/257121157.db2.gz NWRUVGCREHPQNN-CQSZACIVSA-N 1 1 314.223 2.937 40 0 DFABMO CC(C)[N@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000080746669 257121158 /nfs/dbraw/zinc/12/11/58/257121158.db2.gz NWRUVGCREHPQNN-CQSZACIVSA-N 1 1 314.223 2.937 40 0 DFABMO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1OC ZINC000095534149 257136693 /nfs/dbraw/zinc/13/66/93/257136693.db2.gz NCKOEINNDVYWKY-MRXNPFEDSA-N 1 1 324.384 2.845 40 0 DFABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1OC ZINC000095533495 257137714 /nfs/dbraw/zinc/13/77/14/257137714.db2.gz BOACTYOVIOPOGH-INIZCTEOSA-N 1 1 324.384 2.927 40 0 DFABMO Cc1ccc([C@H](O)C[NH+]2CCN(c3nccs3)CC2)c(C)c1 ZINC000019132512 257231843 /nfs/dbraw/zinc/23/18/43/257231843.db2.gz LBYOOZFFUFAWPC-MRXNPFEDSA-N 1 1 317.458 2.616 40 0 DFABMO OC[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1c1c(F)cccc1OC2 ZINC000642881917 543504309 /nfs/dbraw/zinc/50/43/09/543504309.db2.gz DWWZCQAJBKGGCO-BEFAXECRSA-N 1 1 313.372 2.796 40 0 DFABMO CC[N@H+](Cc1ccccc1)C[C@H](O)COc1cccc(OC)c1 ZINC000001469887 425581793 /nfs/dbraw/zinc/58/17/93/425581793.db2.gz ZTHRMZVTOJVTAL-KRWDZBQOSA-N 1 1 315.413 2.957 40 0 DFABMO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000012089083 425718429 /nfs/dbraw/zinc/71/84/29/425718429.db2.gz PUQJDPVHRYPPBP-UFRUDQCGSA-N 1 1 323.440 2.905 40 0 DFABMO CCC(=O)N1CCc2cc([C@@H](O)C[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000012181087 425721775 /nfs/dbraw/zinc/72/17/75/425721775.db2.gz FOLIBANCCVPVAU-KSSFIOAISA-N 1 1 316.445 2.894 40 0 DFABMO C[NH+]1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000017030926 425787156 /nfs/dbraw/zinc/78/71/56/425787156.db2.gz YOLPGHKOSNOXHG-UHFFFAOYSA-N 1 1 303.353 2.650 40 0 DFABMO C[C@@H]1C[N@@H+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C[C@H](C)O1 ZINC000033526500 425842324 /nfs/dbraw/zinc/84/23/24/425842324.db2.gz NXZJLWYLJHLXEE-NRKLIOEPSA-N 1 1 313.482 2.688 40 0 DFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4cnnc4)CO3)C2)s1 ZINC000107228806 425986677 /nfs/dbraw/zinc/98/66/77/425986677.db2.gz MQCPIEIVMHQYSZ-ZBFHGGJFSA-N 1 1 318.446 2.644 40 0 DFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)o1 ZINC000107731370 426002572 /nfs/dbraw/zinc/00/25/72/426002572.db2.gz HNFKQICETYNKQX-WBVHZDCISA-N 1 1 301.390 2.781 40 0 DFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccco1)C2)N1CC(F)(F)C1 ZINC000108527146 426017388 /nfs/dbraw/zinc/01/73/88/426017388.db2.gz DWVFJPVWQKEZIQ-GDBMZVCRSA-N 1 1 324.371 2.749 40 0 DFABMO CNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1C)C2 ZINC000108533963 426018329 /nfs/dbraw/zinc/01/83/29/426018329.db2.gz VURXJFSRBAHPCK-WMZOPIPTSA-N 1 1 304.409 2.872 40 0 DFABMO Cc1[nH+]ccn1CCCNC(=O)/C=C/c1cn(C)c2ccccc12 ZINC000079679076 426200500 /nfs/dbraw/zinc/20/05/00/426200500.db2.gz HPLOICATYSSTOP-CMDGGOBGSA-N 1 1 322.412 2.903 40 0 DFABMO CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000078648489 426179666 /nfs/dbraw/zinc/17/96/66/426179666.db2.gz FXOBHRUFJDKEPW-ZDUSSCGKSA-N 1 1 308.447 2.620 40 0 DFABMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccncc3)C2)cc1 ZINC000078737251 426183537 /nfs/dbraw/zinc/18/35/37/426183537.db2.gz OSXJFPDYRYWBAI-HNNXBMFYSA-N 1 1 311.385 2.518 40 0 DFABMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccncc3)C2)cc1 ZINC000078737251 426183541 /nfs/dbraw/zinc/18/35/41/426183541.db2.gz OSXJFPDYRYWBAI-HNNXBMFYSA-N 1 1 311.385 2.518 40 0 DFABMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000079922820 426206673 /nfs/dbraw/zinc/20/66/73/426206673.db2.gz YOSKVEKFFYOLOU-BZNIZROVSA-N 1 1 302.374 2.931 40 0 DFABMO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1nnc2n1CCCC2 ZINC000084667987 426242878 /nfs/dbraw/zinc/24/28/78/426242878.db2.gz JARVGBSOWKCCOZ-ZDUSSCGKSA-N 1 1 310.401 2.741 40 0 DFABMO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc(F)cc4)C[C@H]3O2)n1 ZINC000096058241 426394288 /nfs/dbraw/zinc/39/42/88/426394288.db2.gz MUQRMMGRZNXJGN-CWRNSKLLSA-N 1 1 317.364 2.869 40 0 DFABMO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]3O2)n1 ZINC000096058241 426394291 /nfs/dbraw/zinc/39/42/91/426394291.db2.gz MUQRMMGRZNXJGN-CWRNSKLLSA-N 1 1 317.364 2.869 40 0 DFABMO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cccs4)C[C@H]3O2)n1 ZINC000096058236 426394373 /nfs/dbraw/zinc/39/43/73/426394373.db2.gz GEBJVPIXNDYVDC-FPMFFAJLSA-N 1 1 305.403 2.792 40 0 DFABMO Cc1nc(CO[C@@H]2C[N@@H+](CC3CC3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058125 426394428 /nfs/dbraw/zinc/39/44/28/426394428.db2.gz KLWFGQRCPBQAHL-OAGGEKHMSA-N 1 1 308.447 2.610 40 0 DFABMO Cc1ccc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)o1 ZINC000096059403 426394461 /nfs/dbraw/zinc/39/44/61/426394461.db2.gz HHIPNIAGPMERFO-UHFFFAOYSA-N 1 1 314.433 2.786 40 0 DFABMO Cc1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3C2)o1 ZINC000096061775 426394905 /nfs/dbraw/zinc/39/49/05/426394905.db2.gz QCEWSCQCQUDXCB-UHFFFAOYSA-N 1 1 302.422 2.641 40 0 DFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cccnc1)[C@@H]2C ZINC000096061982 426395104 /nfs/dbraw/zinc/39/51/04/426395104.db2.gz FBMDDDLQRQRNIU-OAHLLOKOSA-N 1 1 313.449 2.695 40 0 DFABMO Cc1nc[nH]c1C[N@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076074 426396644 /nfs/dbraw/zinc/39/66/44/426396644.db2.gz VJPLYHIDRCNHHR-GOSISDBHSA-N 1 1 314.408 2.708 40 0 DFABMO Cc1nc[nH]c1CN1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076074 426396646 /nfs/dbraw/zinc/39/66/46/426396646.db2.gz VJPLYHIDRCNHHR-GOSISDBHSA-N 1 1 314.408 2.708 40 0 DFABMO Cc1nc[nH]c1CN1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076074 426396649 /nfs/dbraw/zinc/39/66/49/426396649.db2.gz VJPLYHIDRCNHHR-GOSISDBHSA-N 1 1 314.408 2.708 40 0 DFABMO c1coc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC000096107347 426397333 /nfs/dbraw/zinc/39/73/33/426397333.db2.gz FJUMOOGENRTERE-AEFFLSMTSA-N 1 1 314.385 2.877 40 0 DFABMO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](C2CCC2)C3)nc1 ZINC000096107341 426398198 /nfs/dbraw/zinc/39/81/98/426398198.db2.gz SAEZTOYWOMFDJP-MSOLQXFVSA-N 1 1 302.418 2.774 40 0 DFABMO c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cc1 ZINC000096108949 426399350 /nfs/dbraw/zinc/39/93/50/426399350.db2.gz CYRJUONOUHFWBD-WOJBJXKFSA-N 1 1 324.424 2.747 40 0 DFABMO C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111781 426399395 /nfs/dbraw/zinc/39/93/95/426399395.db2.gz SNPMLDOTBQOJNF-RDJZCZTQSA-N 1 1 308.381 2.685 40 0 biogenic,in-vitro DFABMO C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111781 426399397 /nfs/dbraw/zinc/39/93/97/426399397.db2.gz SNPMLDOTBQOJNF-RDJZCZTQSA-N 1 1 308.381 2.685 40 0 biogenic,in-vitro DFABMO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)nc2c1 ZINC000096112303 426399467 /nfs/dbraw/zinc/39/94/67/426399467.db2.gz RNLJAPVLHKLWRY-CJNGLKHVSA-N 1 1 303.381 2.963 40 0 biogenic,in-vitro DFABMO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)nc2c1 ZINC000096112303 426399468 /nfs/dbraw/zinc/39/94/68/426399468.db2.gz RNLJAPVLHKLWRY-CJNGLKHVSA-N 1 1 303.381 2.963 40 0 biogenic,in-vitro DFABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112303 426399470 /nfs/dbraw/zinc/39/94/70/426399470.db2.gz RNLJAPVLHKLWRY-CJNGLKHVSA-N 1 1 303.381 2.963 40 0 biogenic,in-vitro DFABMO Cc1ccc2nc(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112303 426399471 /nfs/dbraw/zinc/39/94/71/426399471.db2.gz RNLJAPVLHKLWRY-CJNGLKHVSA-N 1 1 303.381 2.963 40 0 biogenic,in-vitro DFABMO Cn1ccnc1CN1CCC2(CCC[N@H+]2CC2CCC2)CC1 ZINC000096159391 426403198 /nfs/dbraw/zinc/40/31/98/426403198.db2.gz YMWMTDYHKJMUDY-UHFFFAOYSA-N 1 1 302.466 2.651 40 0 DFABMO CCOC[C@H]1CCC[C@]12C[N@H+](Cc1c(C)noc1C)CCO2 ZINC000096159876 426403582 /nfs/dbraw/zinc/40/35/82/426403582.db2.gz CGUPIKVHZQUEGQ-WBVHZDCISA-N 1 1 308.422 2.699 40 0 DFABMO CCOC[C@H]1CCC[C@]12C[N@@H+](Cc1c(C)noc1C)CCO2 ZINC000096159876 426403585 /nfs/dbraw/zinc/40/35/85/426403585.db2.gz CGUPIKVHZQUEGQ-WBVHZDCISA-N 1 1 308.422 2.699 40 0 DFABMO CCCCc1ncc(C[NH+]2CCC3(CC2)OCCC[C@H]3OC)[nH]1 ZINC000095386726 426370569 /nfs/dbraw/zinc/37/05/69/426370569.db2.gz GDYWVOVQZPFHRF-MRXNPFEDSA-N 1 1 321.465 2.912 40 0 DFABMO C[C@@H]1C[N@@H+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C[C@H](C)O1 ZINC000095532662 426373649 /nfs/dbraw/zinc/37/36/49/426373649.db2.gz NXZJLWYLJHLXEE-NQNKBUKLSA-N 1 1 313.482 2.688 40 0 DFABMO CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000095951497 426375850 /nfs/dbraw/zinc/37/58/50/426375850.db2.gz IPLVJTLXCKXGHG-FRQCXROJSA-N 1 1 315.413 2.952 40 0 DFABMO CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000095951497 426375854 /nfs/dbraw/zinc/37/58/54/426375854.db2.gz IPLVJTLXCKXGHG-FRQCXROJSA-N 1 1 315.413 2.952 40 0 DFABMO CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096039331 426389309 /nfs/dbraw/zinc/38/93/09/426389309.db2.gz YRXNVQADONDFKO-IAGOWNOFSA-N 1 1 308.422 2.699 40 0 DFABMO COCCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccs1)CC2 ZINC000096047512 426390865 /nfs/dbraw/zinc/39/08/65/426390865.db2.gz INMDYYABJYAFOP-QGZVFWFLSA-N 1 1 322.474 2.742 40 0 DFABMO Cc1nc(C[N@@H+]2CCC3(CN(Cc4nccs4)C3)C2)cs1 ZINC000096046421 426390957 /nfs/dbraw/zinc/39/09/57/426390957.db2.gz JWGSZHXZKJZKTQ-UHFFFAOYSA-N 1 1 320.487 2.616 40 0 DFABMO Cc1nc(C[N@H+]2CCC3(CN(Cc4nccs4)C3)C2)cs1 ZINC000096046421 426390959 /nfs/dbraw/zinc/39/09/59/426390959.db2.gz JWGSZHXZKJZKTQ-UHFFFAOYSA-N 1 1 320.487 2.616 40 0 DFABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048064 426391454 /nfs/dbraw/zinc/39/14/54/426391454.db2.gz VBBMFXBSAVLGRX-GOSISDBHSA-N 1 1 315.461 2.547 40 0 DFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)o1 ZINC000096048555 426392282 /nfs/dbraw/zinc/39/22/82/426392282.db2.gz HNFKQICETYNKQX-DOTOQJQBSA-N 1 1 301.390 2.781 40 0 DFABMO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)o1 ZINC000096053683 426393032 /nfs/dbraw/zinc/39/30/32/426393032.db2.gz QPNVSICFUXVFTP-WFASDCNBSA-N 1 1 302.399 2.744 40 0 DFABMO Fc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC000096053735 426393257 /nfs/dbraw/zinc/39/32/57/426393257.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO Fc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393261 /nfs/dbraw/zinc/39/32/61/426393261.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO Fc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393265 /nfs/dbraw/zinc/39/32/65/426393265.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC000096057888 426393422 /nfs/dbraw/zinc/39/34/22/426393422.db2.gz CCRUYDYTQSVQSN-IPMKNSEASA-N 1 1 317.429 2.854 40 0 DFABMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC000096057888 426393425 /nfs/dbraw/zinc/39/34/25/426393425.db2.gz CCRUYDYTQSVQSN-IPMKNSEASA-N 1 1 317.429 2.854 40 0 DFABMO c1csc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 ZINC000096058630 426393941 /nfs/dbraw/zinc/39/39/41/426393941.db2.gz IGUJMMMZMFMUAQ-ZDUSSCGKSA-N 1 1 315.442 2.643 40 0 DFABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccsc1)CC2 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/nfs/dbraw/zinc/01/91/90/427019190.db2.gz BNPZIQMVGRNOFE-UHFFFAOYSA-N 1 1 317.481 3.366 40 0 DFABMO C[C@H](CO)Nc1nc(N2Cc3ccccc3CC2(C)C)cc[nH+]1 ZINC000329067730 427036336 /nfs/dbraw/zinc/03/63/36/427036336.db2.gz YKKOFVZYBSHMBW-CYBMUJFWSA-N 1 1 312.417 2.611 40 0 DFABMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257208633 427309501 /nfs/dbraw/zinc/30/95/01/427309501.db2.gz BMYAUPJURLELQA-ROUUACIJSA-N 1 1 300.402 2.592 40 0 DFABMO c1ccc(CO[C@@H]2C[C@H]3C[N@@H+](Cc4cncnc4)C[C@H]3C2)cc1 ZINC000257208219 427310110 /nfs/dbraw/zinc/31/01/10/427310110.db2.gz BLERBFPQQIUFQV-BWTSREIZSA-N 1 1 309.413 2.904 40 0 DFABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257209336 427311533 /nfs/dbraw/zinc/31/15/33/427311533.db2.gz BPZYFTCSJGARSV-HNNXBMFYSA-N 1 1 313.401 2.869 40 0 DFABMO Cc1ccnc([C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257231091 427317163 /nfs/dbraw/zinc/31/71/63/427317163.db2.gz GFEQCIXGMHBSQQ-CQSZACIVSA-N 1 1 301.365 2.792 40 0 DFABMO COc1ccccc1CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257233206 427317808 /nfs/dbraw/zinc/31/78/08/427317808.db2.gz GOGCJHAEFMRMAG-HKUYNNGSSA-N 1 1 316.445 2.713 40 0 DFABMO c1cc2c(C[C@H]3CCC[N@@H+](Cc4cnc[nH]4)CC3)nccn2c1 ZINC000257249305 427326120 /nfs/dbraw/zinc/32/61/20/427326120.db2.gz JHPOCFVXQZLPCR-HNNXBMFYSA-N 1 1 309.417 2.902 40 0 DFABMO c1cc2c(C[C@H]3CCC[N@H+](Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249305 427326127 /nfs/dbraw/zinc/32/61/27/427326127.db2.gz JHPOCFVXQZLPCR-HNNXBMFYSA-N 1 1 309.417 2.902 40 0 DFABMO c1cc2c(C[C@H]3CCC[N@@H+](Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249305 427326133 /nfs/dbraw/zinc/32/61/33/427326133.db2.gz JHPOCFVXQZLPCR-HNNXBMFYSA-N 1 1 309.417 2.902 40 0 DFABMO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cccc(OCCO)c1 ZINC000257261835 427328180 /nfs/dbraw/zinc/32/81/80/427328180.db2.gz LIYQHNIFOBLGCW-QGZVFWFLSA-N 1 1 315.417 2.816 40 0 DFABMO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cccc(OCCO)c1 ZINC000257261835 427328184 /nfs/dbraw/zinc/32/81/84/427328184.db2.gz 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ZINC000096185101 275064467 /nfs/dbraw/zinc/06/44/67/275064467.db2.gz BBVSYJQGCAHAJS-BBWFWOEESA-N 1 1 316.426 2.559 40 0 DFABMO CCC[C@@H](C)[N@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099654 430479663 /nfs/dbraw/zinc/47/96/63/430479663.db2.gz UZWPGXDTRIBOCS-CZUORRHYSA-N 1 1 307.463 2.756 40 0 DFABMO Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000563845946 302102171 /nfs/dbraw/zinc/10/21/71/302102171.db2.gz ULFLINDUNXZFHQ-MRXNPFEDSA-N 1 1 310.401 2.911 40 0 DFABMO Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000563845946 302102173 /nfs/dbraw/zinc/10/21/73/302102173.db2.gz ULFLINDUNXZFHQ-MRXNPFEDSA-N 1 1 310.401 2.911 40 0 DFABMO CCSc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000078870249 185121301 /nfs/dbraw/zinc/12/13/01/185121301.db2.gz JTMOIPIXEYPNQG-TZMCWYRMSA-N 1 1 307.463 2.748 40 0 DFABMO C/C=C/C=C/C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000078917448 185129080 /nfs/dbraw/zinc/12/90/80/185129080.db2.gz NSGKGOJVUCKFSR-VNKDHWASSA-N 1 1 319.474 2.912 40 0 DFABMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000078926076 185130049 /nfs/dbraw/zinc/13/00/49/185130049.db2.gz ZSXCQAZRHDPLBY-GJZGRUSLSA-N 1 1 304.438 2.658 40 0 DFABMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1F ZINC000079094425 185157564 /nfs/dbraw/zinc/15/75/64/185157564.db2.gz JKNBZUUZJRRSON-ZDUSSCGKSA-N 1 1 323.412 2.934 40 0 DFABMO Cc1ccc(C)c([C@@H](O)C[N@@H+](C)Cc2nnc3ccccn32)c1 ZINC000079442483 185171728 /nfs/dbraw/zinc/17/17/28/185171728.db2.gz KNLXFFKFUXFHNJ-INIZCTEOSA-N 1 1 310.401 2.512 40 0 DFABMO Cc1ccc(C)c([C@@H](O)C[N@H+](C)Cc2nnc3ccccn32)c1 ZINC000079442483 185171729 /nfs/dbraw/zinc/17/17/29/185171729.db2.gz KNLXFFKFUXFHNJ-INIZCTEOSA-N 1 1 310.401 2.512 40 0 DFABMO Cc1cccc(N2CCN(C(=O)Nc3cccnc3)[C@@H](C)C2)[nH+]1 ZINC000079355120 185166625 /nfs/dbraw/zinc/16/66/25/185166625.db2.gz KSRNEEPPNJDWRM-AWEZNQCLSA-N 1 1 311.389 2.528 40 0 DFABMO c1coc(C[N@H+]2C[C@@H]3Cc4nc(NCC5CC5)ncc4[C@H]3C2)c1 ZINC000306135948 231086923 /nfs/dbraw/zinc/08/69/23/231086923.db2.gz 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ZINC000585275013 398437941 /nfs/dbraw/zinc/43/79/41/398437941.db2.gz TWJUFPPOYDFLCV-GOSISDBHSA-N 1 1 316.376 2.545 40 0 DFABMO CO[C@@H]1CC[N@@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1F ZINC000585275184 398437965 /nfs/dbraw/zinc/43/79/65/398437965.db2.gz ZHLZCQRKQPBSJU-CRAIPNDOSA-N 1 1 317.408 2.937 40 0 DFABMO CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585274713 398438823 /nfs/dbraw/zinc/43/88/23/398438823.db2.gz MKIZHUHDHQNXOM-SFHVURJKSA-N 1 1 315.417 2.696 40 0 DFABMO Cc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)no1 ZINC000585279880 398439598 /nfs/dbraw/zinc/43/95/98/398439598.db2.gz SCUIVRIOSJJQOD-AEFFLSMTSA-N 1 1 300.402 2.717 40 0 DFABMO Cc1cc(C[N@H+]2CC[C@H](Cc3ccccc3C)[C@@H](O)C2)no1 ZINC000585279880 398439599 /nfs/dbraw/zinc/43/95/99/398439599.db2.gz SCUIVRIOSJJQOD-AEFFLSMTSA-N 1 1 300.402 2.717 40 0 DFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000585293334 398440482 /nfs/dbraw/zinc/44/04/82/398440482.db2.gz UVNRPZCGXNDOAG-KZNAEPCWSA-N 1 1 317.816 2.661 40 0 DFABMO COCC[N@H+]1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072354636 191129243 /nfs/dbraw/zinc/12/92/43/191129243.db2.gz LFNMNRHKHMXNHC-OAHLLOKOSA-N 1 1 316.380 2.648 40 0 DFABMO OCC[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359287 191130583 /nfs/dbraw/zinc/13/05/83/191130583.db2.gz AENDGNZKYDMGKB-AWEZNQCLSA-N 1 1 317.820 2.969 40 0 DFABMO C[N@H+]1CC[C@H](Cc2cccc(NCCC3(O)CCCC3)n2)C1 ZINC000072366204 191135182 /nfs/dbraw/zinc/13/51/82/191135182.db2.gz PEHFUPRJUDORII-OAHLLOKOSA-N 1 1 303.450 2.683 40 0 DFABMO c1cn(-c2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1 ZINC000072378628 191140747 /nfs/dbraw/zinc/14/07/47/191140747.db2.gz XKVHOOGISMIUHO-QGZVFWFLSA-N 1 1 305.385 2.999 40 0 DFABMO Cc1nc(Nc2ncccn2)cc([C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000072383501 191144113 /nfs/dbraw/zinc/14/41/13/191144113.db2.gz AKHVZORDLBMUSC-AWEZNQCLSA-N 1 1 312.421 2.764 40 0 DFABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2nccnc21 ZINC000072393840 191149581 /nfs/dbraw/zinc/14/95/81/191149581.db2.gz 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c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096218345 426408915 /nfs/dbraw/zinc/40/89/15/426408915.db2.gz IUURGORDOBZRLJ-IEBWSBKVSA-N 1 1 324.428 2.712 40 0 DFABMO Cc1ccsc1C[N@@H+]1C[C@@H]2C[C@H](Cc3nnc(C)o3)O[C@@H]2C1 ZINC000096218924 426409758 /nfs/dbraw/zinc/40/97/58/426409758.db2.gz FIYRDJRIPYVTHE-BFHYXJOUSA-N 1 1 319.430 2.580 40 0 DFABMO O=C1N(c2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096224514 426409778 /nfs/dbraw/zinc/40/97/78/426409778.db2.gz BMGTTZCSKHICGR-SFHVURJKSA-N 1 1 311.385 2.694 40 0 DFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccs1)C2 ZINC000096220683 426409785 /nfs/dbraw/zinc/40/97/85/426409785.db2.gz CSRLSCROBUHBIW-AEFFLSMTSA-N 1 1 320.502 2.928 40 0 DFABMO c1cncc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC000096255236 426410595 /nfs/dbraw/zinc/41/05/95/426410595.db2.gz IXKSUOKLEIWWMT-UHFFFAOYSA-N 1 1 317.396 2.534 40 0 DFABMO CC[N@@H+](C)[C@@H]1C=CC2(CC1)CCN(C(=O)c1cccnc1)CC2 ZINC000096240280 426411225 /nfs/dbraw/zinc/41/12/25/426411225.db2.gz IXWBEHKBSDPYTR-QGZVFWFLSA-N 1 1 313.445 2.974 40 0 DFABMO COc1ccc2c3c1O[C@H]1C(OC)=CC[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000096316332 426413894 /nfs/dbraw/zinc/41/38/94/426413894.db2.gz XJZOLKDBHJPTAT-BLDHALOPSA-N 1 1 313.397 2.504 40 0 biogenic,in-vitro DFABMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000096421110 426420323 /nfs/dbraw/zinc/42/03/23/426420323.db2.gz JLPBXLLGVLYDFU-SZMVWBNQSA-N 1 1 305.418 2.644 40 0 DFABMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOC[C@@H]1CCCO1 ZINC000096421110 426420326 /nfs/dbraw/zinc/42/03/26/426420326.db2.gz JLPBXLLGVLYDFU-SZMVWBNQSA-N 1 1 305.418 2.644 40 0 DFABMO c1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3O2)n1 ZINC000097953895 426475230 /nfs/dbraw/zinc/47/52/30/426475230.db2.gz OPCDARGHZPAOLC-RRFJBIMHSA-N 1 1 301.415 2.890 40 0 DFABMO c1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3O2)n1 ZINC000097953895 426475232 /nfs/dbraw/zinc/47/52/32/426475232.db2.gz OPCDARGHZPAOLC-RRFJBIMHSA-N 1 1 301.415 2.890 40 0 DFABMO c1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)nc1 ZINC000248057834 426977146 /nfs/dbraw/zinc/97/71/46/426977146.db2.gz CHBXGBOZXBHTOP-MRXNPFEDSA-N 1 1 313.426 2.616 40 0 DFABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CC3)n1)C2 ZINC000329041915 427030375 /nfs/dbraw/zinc/03/03/75/427030375.db2.gz SKYIQSICRQKBDR-UHFFFAOYSA-N 1 1 324.428 2.841 40 0 DFABMO CCNc1nc(N2CCc3cc(OC)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329036475 427031681 /nfs/dbraw/zinc/03/16/81/427031681.db2.gz RJGDLKXXVSWIQP-UHFFFAOYSA-N 1 1 324.428 3.357 40 0 DFABMO CO[C@H]1CCCOC12CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC000257222370 427314492 /nfs/dbraw/zinc/31/44/92/427314492.db2.gz DTBDMFXSTQHGKG-HNNXBMFYSA-N 1 1 310.825 2.895 40 0 DFABMO C[C@]12CCCC[N@@H+](Cc3ncccc3F)[C@H]1CCCC(=O)N2 ZINC000257225253 427316586 /nfs/dbraw/zinc/31/65/86/427316586.db2.gz FFLLATHYNWUBFF-RDJZCZTQSA-N 1 1 305.397 2.634 40 0 DFABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257239756 427322033 /nfs/dbraw/zinc/32/20/33/427322033.db2.gz HQRBNLXSEDISEN-CQSZACIVSA-N 1 1 301.390 2.725 40 0 DFABMO CN1C(=O)CCC[C@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@H]21 ZINC000257251720 427323563 /nfs/dbraw/zinc/32/35/63/427323563.db2.gz JRXCNFQXTBYSMT-DOTOQJQBSA-N 1 1 304.409 2.701 40 0 DFABMO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000257325836 427332900 /nfs/dbraw/zinc/33/29/00/427332900.db2.gz WUPRNKXYLFAAAM-LBPRGKRZSA-N 1 1 317.824 2.562 40 0 DFABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000257325836 427332907 /nfs/dbraw/zinc/33/29/07/427332907.db2.gz WUPRNKXYLFAAAM-LBPRGKRZSA-N 1 1 317.824 2.562 40 0 DFABMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000192009620 427461752 /nfs/dbraw/zinc/46/17/52/427461752.db2.gz UHMDKXRLUKDWCV-GOSISDBHSA-N 1 1 322.416 2.609 40 0 DFABMO COc1ccccc1CC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192573814 427565230 /nfs/dbraw/zinc/56/52/30/427565230.db2.gz XFKZTNGONSYVPS-ZDUSSCGKSA-N 1 1 301.390 2.735 40 0 DFABMO c1ccc(N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]3CCCO[C@H]23)nc1 ZINC000096040685 275067913 /nfs/dbraw/zinc/06/79/13/275067913.db2.gz BOAAVGZMJBMCGJ-SCTDSRPQSA-N 1 1 324.428 2.568 40 0 DFABMO CN1CC[N@H+](C2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257308673 277103565 /nfs/dbraw/zinc/10/35/65/277103565.db2.gz TXQYQZMXCSJQRT-MRXNPFEDSA-N 1 1 324.472 2.979 40 0 DFABMO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](C[C@H]1CCCO1)C2 ZINC000585099331 430478309 /nfs/dbraw/zinc/47/83/09/430478309.db2.gz FKXXHKVAJVMUNW-MJGOQNOKSA-N 1 1 320.477 2.670 40 0 DFABMO CC[C@H](C)[N@H+]1CCC[C@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099595 430478450 /nfs/dbraw/zinc/47/84/50/430478450.db2.gz RUFFXFFHIFZJJX-YVEFUNNKSA-N 1 1 305.422 2.514 40 0 DFABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099594 430479374 /nfs/dbraw/zinc/47/93/74/430479374.db2.gz RUFFXFFHIFZJJX-SJKOYZFVSA-N 1 1 305.422 2.514 40 0 DFABMO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000257232788 278125070 /nfs/dbraw/zinc/12/50/70/278125070.db2.gz GMLAQJAQICQBFF-QGZVFWFLSA-N 1 1 316.449 2.891 40 0 DFABMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000078878155 185121872 /nfs/dbraw/zinc/12/18/72/185121872.db2.gz YIKIWXMNTDYLKJ-AWEZNQCLSA-N 1 1 324.852 2.624 40 0 DFABMO c1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)cs1 ZINC000306134219 231087738 /nfs/dbraw/zinc/08/77/38/231087738.db2.gz NFYNUHAYNSQBGV-BZUAXINKSA-N 1 1 315.442 2.702 40 0 DFABMO Nc1cccc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000256053458 398427219 /nfs/dbraw/zinc/42/72/19/398427219.db2.gz RNVWJYQDDYGVQI-MDZDMXLPSA-N 1 1 321.424 2.626 40 0 DFABMO CC(C)CC[N@H+]1CCC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000585101206 398431976 /nfs/dbraw/zinc/43/19/76/398431976.db2.gz NQYFQHONQCYMQD-KRWDZBQOSA-N 1 1 309.454 2.510 40 0 DFABMO CC(C)N1C[C@]2(CC1=O)COCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585103423 398432193 /nfs/dbraw/zinc/43/21/93/398432193.db2.gz BVDYTKJZJQQVHZ-VQIMIIECSA-N 1 1 316.445 2.707 40 0 DFABMO CCC(CC)[N@H+]1CCOC[C@](O)(COc2cccc(C)c2)C1 ZINC000585276357 398438351 /nfs/dbraw/zinc/43/83/51/398438351.db2.gz NAHCVQJIPIBXGU-SFHVURJKSA-N 1 1 307.434 2.626 40 0 DFABMO Cc1ccc(OC[C@]2(O)COCC[N@H+](C3CCCCC3)C2)cc1 ZINC000585277310 398438715 /nfs/dbraw/zinc/43/87/15/398438715.db2.gz UFNYRJVONANVFI-LJQANCHMSA-N 1 1 319.445 2.770 40 0 DFABMO Cc1ncccc1C[N@H+]1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274849 398438805 /nfs/dbraw/zinc/43/88/05/398438805.db2.gz PKWFOMHGIBVNLM-GOSISDBHSA-N 1 1 316.376 2.545 40 0 DFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H](O)C2)[nH]1 ZINC000585279777 398439684 /nfs/dbraw/zinc/43/96/84/398439684.db2.gz ORWCTEIUZNFNOX-SJLPKXTDSA-N 1 1 313.445 2.706 40 0 DFABMO Cn1nccc1-c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000585141800 398436124 /nfs/dbraw/zinc/43/61/24/398436124.db2.gz YPGKHXLOFRGDLW-OAHLLOKOSA-N 1 1 323.400 2.850 40 0 DFABMO Cc1cccc(OC[C@]2(O)CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000585269394 398437190 /nfs/dbraw/zinc/43/71/90/398437190.db2.gz RRNMRUGXEAOZKP-IBGZPJMESA-N 1 1 312.413 2.796 40 0 DFABMO Cc1c([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)cnn1C ZINC000091967714 398551226 /nfs/dbraw/zinc/55/12/26/398551226.db2.gz XGZHGLYQQSHYKA-KRWDZBQOSA-N 1 1 322.416 2.851 40 0 DFABMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000083859087 192387763 /nfs/dbraw/zinc/38/77/63/192387763.db2.gz SAUATPDFVASHBD-IRXDYDNUSA-N 1 1 308.466 2.526 40 0 DFABMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CCC(CO)CC1 ZINC000083860844 192388246 /nfs/dbraw/zinc/38/82/46/192388246.db2.gz ODWXQQLAWRIMLV-UHFFFAOYSA-N 1 1 321.417 2.667 40 0 DFABMO C[NH+](C)[C@@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 ZINC000144786662 186035646 /nfs/dbraw/zinc/03/56/46/186035646.db2.gz LNMSDHBGVMTUPU-QGZVFWFLSA-N 1 1 316.376 2.624 40 0 DFABMO CCN1CC[NH2+][C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O ZINC000072352848 191129007 /nfs/dbraw/zinc/12/90/07/191129007.db2.gz GLSDVYLZTVTPJS-IBGZPJMESA-N 1 1 324.424 2.725 40 0 DFABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355631 191130622 /nfs/dbraw/zinc/13/06/22/191130622.db2.gz DJNQDAOCSNEFIB-QGZVFWFLSA-N 1 1 322.416 2.646 40 0 DFABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355631 191130623 /nfs/dbraw/zinc/13/06/23/191130623.db2.gz DJNQDAOCSNEFIB-QGZVFWFLSA-N 1 1 322.416 2.646 40 0 DFABMO OCC[N@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072382181 191142730 /nfs/dbraw/zinc/14/27/30/191142730.db2.gz VYDHXDBZGZKOAZ-GOSISDBHSA-N 1 1 300.377 2.941 40 0 DFABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000072387017 191144775 /nfs/dbraw/zinc/14/47/75/191144775.db2.gz GJZVBACVMIRXGU-INIZCTEOSA-N 1 1 301.434 2.763 40 0 DFABMO COCCNc1cc([C@@H]2CC[N@@H+]2Cc2ccccc2)nc(C)n1 ZINC000072387481 191144935 /nfs/dbraw/zinc/14/49/35/191144935.db2.gz OTRUMVZSCGJOSB-KRWDZBQOSA-N 1 1 312.417 2.790 40 0 DFABMO COCCNc1cc([C@@H]2CC[N@H+]2Cc2ccccc2)nc(C)n1 ZINC000072387481 191144937 /nfs/dbraw/zinc/14/49/37/191144937.db2.gz OTRUMVZSCGJOSB-KRWDZBQOSA-N 1 1 312.417 2.790 40 0 DFABMO Fc1cccc(C[N@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393820 191149741 /nfs/dbraw/zinc/14/97/41/191149741.db2.gz ZYKBNZHVIOHFOH-ZDUSSCGKSA-N 1 1 311.364 2.872 40 0 DFABMO C[C@]12CC[N@H+](CCO)[C@@H]1CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]12 ZINC000004026893 181063545 /nfs/dbraw/zinc/06/35/45/181063545.db2.gz BSIXKFWZOQKKGU-WMJYKOSISA-N 1 1 307.478 2.657 40 0 DFABMO O=C(COC[C@H]1CCC[N@H+]2CCCC[C@H]12)Oc1ccccc1 ZINC000005684164 181271737 /nfs/dbraw/zinc/27/17/37/181271737.db2.gz DGRPNXSKYKPQDI-NVXWUHKLSA-N 1 1 303.402 2.873 40 0 biogenic,in-vitro DFABMO c1ncc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000193386572 201043041 /nfs/dbraw/zinc/04/30/41/201043041.db2.gz BYIOWGXZFNKPSU-AWEZNQCLSA-N 1 1 308.389 2.574 40 0 DFABMO c1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH]1 ZINC000193386572 201043044 /nfs/dbraw/zinc/04/30/44/201043044.db2.gz BYIOWGXZFNKPSU-AWEZNQCLSA-N 1 1 308.389 2.574 40 0 DFABMO c1nc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH]1 ZINC000193386572 201043048 /nfs/dbraw/zinc/04/30/48/201043048.db2.gz BYIOWGXZFNKPSU-AWEZNQCLSA-N 1 1 308.389 2.574 40 0 DFABMO C[N@@H+](CCSc1nccn(C2CC2)c1=O)Cc1ccccc1 ZINC000193746201 201116704 /nfs/dbraw/zinc/11/67/04/201116704.db2.gz MAHQMHNVSQYXDL-UHFFFAOYSA-N 1 1 315.442 2.802 40 0 DFABMO Cc1cc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)no1 ZINC000195266585 201370045 /nfs/dbraw/zinc/37/00/45/201370045.db2.gz BPYKDHPKZXYBHZ-CQSZACIVSA-N 1 1 320.462 2.702 40 0 DFABMO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)n[nH]1 ZINC000078901013 398997414 /nfs/dbraw/zinc/99/74/14/398997414.db2.gz UAZUWDMLONBGLS-AAEUAGOBSA-N 1 1 301.394 2.919 40 0 DFABMO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)n[nH]1 ZINC000078901013 398997421 /nfs/dbraw/zinc/99/74/21/398997421.db2.gz UAZUWDMLONBGLS-AAEUAGOBSA-N 1 1 301.394 2.919 40 0 DFABMO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH]n1 ZINC000078901013 398997427 /nfs/dbraw/zinc/99/74/27/398997427.db2.gz UAZUWDMLONBGLS-AAEUAGOBSA-N 1 1 301.394 2.919 40 0 DFABMO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)[nH]n1 ZINC000078901013 398997432 /nfs/dbraw/zinc/99/74/32/398997432.db2.gz UAZUWDMLONBGLS-AAEUAGOBSA-N 1 1 301.394 2.919 40 0 DFABMO C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1 ZINC000195531594 201399697 /nfs/dbraw/zinc/39/96/97/201399697.db2.gz ZANWWCLHPHNQFP-GDBMZVCRSA-N 1 1 313.401 2.764 40 0 DFABMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H](c2ccco2)C1 ZINC000195531594 201399700 /nfs/dbraw/zinc/39/97/00/201399700.db2.gz ZANWWCLHPHNQFP-GDBMZVCRSA-N 1 1 313.401 2.764 40 0 DFABMO Cc1[nH+]ccn1Cc1ccc(NC(=O)NCc2ccn(C)c2)cc1 ZINC000078993462 399006729 /nfs/dbraw/zinc/00/67/29/399006729.db2.gz DPOJGVYLEGAGAF-UHFFFAOYSA-N 1 1 323.400 2.900 40 0 DFABMO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000257306666 203031166 /nfs/dbraw/zinc/03/11/66/203031166.db2.gz SVHCMRDKIDDTMY-KRWDZBQOSA-N 1 1 320.400 2.907 40 0 DFABMO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)n1 ZINC000257306666 203031167 /nfs/dbraw/zinc/03/11/67/203031167.db2.gz SVHCMRDKIDDTMY-KRWDZBQOSA-N 1 1 320.400 2.907 40 0 DFABMO 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CCC(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000072343224 426015981 /nfs/dbraw/zinc/01/59/81/426015981.db2.gz WCFURKQZWKRXQT-UHFFFAOYSA-N 1 1 302.418 2.684 40 0 DFABMO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](CCO)C3)cs2)nc1 ZINC000072367760 426016181 /nfs/dbraw/zinc/01/61/81/426016181.db2.gz SALDAAFGJXEHSO-ZDUSSCGKSA-N 1 1 318.446 2.762 40 0 DFABMO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108533889 426017832 /nfs/dbraw/zinc/01/78/32/426017832.db2.gz VHQFZXJPOFUZNX-MAUKXSAKSA-N 1 1 304.409 2.906 40 0 DFABMO CC(C)[N@H+](CC(=O)[O-])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393432 426192187 /nfs/dbraw/zinc/19/21/87/426192187.db2.gz JLUOKOYYQNGMFH-UHFFFAOYSA-N 1 1 304.434 2.694 40 0 DFABMO Cc1cc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)[nH]n1 ZINC000084111408 426233118 /nfs/dbraw/zinc/23/31/18/426233118.db2.gz YFPNCGAXKPFFTI-CQSZACIVSA-N 1 1 309.417 2.984 40 0 DFABMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)n[nH]1 ZINC000084111408 426233119 /nfs/dbraw/zinc/23/31/19/426233119.db2.gz 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ZINC000096061983 426394112 /nfs/dbraw/zinc/39/41/12/426394112.db2.gz FBMDDDLQRQRNIU-HNNXBMFYSA-N 1 1 313.449 2.695 40 0 DFABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)N(C)C)C[C@@H]21 ZINC000096058338 426394981 /nfs/dbraw/zinc/39/49/81/426394981.db2.gz SUYYWZCMDNVILT-ULQDDVLXSA-N 1 1 301.434 2.779 40 0 DFABMO Cc1ccc(N2CCC[C@]3(CCN(c4[nH+]cccc4C)C3)C2)nn1 ZINC000096071628 426396162 /nfs/dbraw/zinc/39/61/62/426396162.db2.gz JRADUGRIAGYMED-IBGZPJMESA-N 1 1 323.444 2.985 40 0 DFABMO c1coc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC000096107524 426397390 /nfs/dbraw/zinc/39/73/90/426397390.db2.gz FJUMOOGENRTERE-WMZOPIPTSA-N 1 1 314.385 2.877 40 0 DFABMO C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112248 426399161 /nfs/dbraw/zinc/39/91/61/426399161.db2.gz PYCVCJZIBWPBQB-SKDRFNHKSA-N 1 1 317.286 2.750 40 0 biogenic,in-vitro DFABMO C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112248 426399163 /nfs/dbraw/zinc/39/91/63/426399163.db2.gz PYCVCJZIBWPBQB-SKDRFNHKSA-N 1 1 317.286 2.750 40 0 biogenic,in-vitro DFABMO Fc1cccc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096110652 426399319 /nfs/dbraw/zinc/39/93/19/426399319.db2.gz MMKPKLNHWJQQNK-IAGOWNOFSA-N 1 1 311.404 2.785 40 0 DFABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](C(C)C)C[C@H]3F)nc2c1 ZINC000096112269 426399480 /nfs/dbraw/zinc/39/94/80/426399480.db2.gz ALYMILDMMLBVFC-DOMZBBRYSA-N 1 1 307.369 2.519 40 0 biogenic,in-vitro DFABMO Cn1cccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158027 426402090 /nfs/dbraw/zinc/40/20/90/426402090.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 1 1 324.472 2.908 40 0 DFABMO Cn1cccc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158027 426402094 /nfs/dbraw/zinc/40/20/94/426402094.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 1 1 324.472 2.908 40 0 DFABMO Cn1cccc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158027 426402097 /nfs/dbraw/zinc/40/20/97/426402097.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 1 1 324.472 2.908 40 0 DFABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)cc1 ZINC000096161729 426403069 /nfs/dbraw/zinc/40/30/69/426403069.db2.gz VCICYTHSXMWENW-KDURUIRLSA-N 1 1 321.424 2.594 40 0 DFABMO CCc1cnc(N2CCC3(CCC[N@H+]3CC3CC3)CC2)nc1 ZINC000096159385 426403348 /nfs/dbraw/zinc/40/33/48/426403348.db2.gz USSORHZOJOOEBL-UHFFFAOYSA-N 1 1 300.450 2.884 40 0 DFABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)s1 ZINC000096184596 426404186 /nfs/dbraw/zinc/40/41/86/426404186.db2.gz JPDXUDIJWAZIGI-DLBZAZTESA-N 1 1 316.474 2.639 40 0 DFABMO C[C@@H]1C[N@H+](C2CCOCC2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201794 426405844 /nfs/dbraw/zinc/40/58/44/426405844.db2.gz NDEWTUVSYPIOSX-CXAGYDPISA-N 1 1 320.458 2.602 40 0 DFABMO O=C1NCC[C@]12C[N@@H+](Cc1cccs1)C[C@H]2c1ccccc1 ZINC000096201808 426406561 /nfs/dbraw/zinc/40/65/61/426406561.db2.gz DLMHKYZLFYQVFF-FUHWJXTLSA-N 1 1 312.438 2.854 40 0 DFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096038992 426389952 /nfs/dbraw/zinc/38/99/52/426389952.db2.gz ITOPJISNORFFIT-MSOLQXFVSA-N 1 1 305.418 2.713 40 0 DFABMO c1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390381 /nfs/dbraw/zinc/39/03/81/426390381.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390383 /nfs/dbraw/zinc/39/03/83/426390383.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390386 /nfs/dbraw/zinc/39/03/86/426390386.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 1 1 322.456 2.965 40 0 DFABMO c1cc(C[N@@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)co1 ZINC000096040683 426390455 /nfs/dbraw/zinc/39/04/55/426390455.db2.gz QKKHJPZKORRFEL-JZXOWHBKSA-N 1 1 313.401 2.766 40 0 DFABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048090 426391517 /nfs/dbraw/zinc/39/15/17/426391517.db2.gz FPHIRMCLRVTPBN-GOSISDBHSA-N 1 1 315.461 2.547 40 0 DFABMO O=C(c1ccco1)N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096046490 426391646 /nfs/dbraw/zinc/39/16/46/426391646.db2.gz TYCXCCDSGSEGRU-UHFFFAOYSA-N 1 1 302.399 2.689 40 0 DFABMO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccoc4)CC[N@H+]3C2)c1 ZINC000096055137 426392520 /nfs/dbraw/zinc/39/25/20/426392520.db2.gz VVSTWMQQFNBYAU-AEFFLSMTSA-N 1 1 316.376 2.756 40 0 DFABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)o1 ZINC000096057354 426393457 /nfs/dbraw/zinc/39/34/57/426393457.db2.gz WZZVGVOGLOLPRV-KFWWJZLASA-N 1 1 303.362 2.774 40 0 DFABMO c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096206393 426407233 /nfs/dbraw/zinc/40/72/33/426407233.db2.gz XAIUVNAMQRPICW-IEBWSBKVSA-N 1 1 324.428 2.712 40 0 DFABMO c1cc(CN2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)cs1 ZINC000096207925 426408461 /nfs/dbraw/zinc/40/84/61/426408461.db2.gz XWYAQYSNFXUOLD-IAGOWNOFSA-N 1 1 306.475 2.967 40 0 DFABMO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccccn3)C2)C1 ZINC000096215282 426408551 /nfs/dbraw/zinc/40/85/51/426408551.db2.gz PZBFFTAZCAVGRM-LJQANCHMSA-N 1 1 315.461 2.595 40 0 DFABMO O=C1N(c2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096224515 426408788 /nfs/dbraw/zinc/40/87/88/426408788.db2.gz BMGTTZCSKHICGR-GOSISDBHSA-N 1 1 311.385 2.694 40 0 DFABMO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccco4)C[C@H]23)cn1 ZINC000096219467 426409088 /nfs/dbraw/zinc/40/90/88/426409088.db2.gz RAJCTALDLQVGJE-ZTFGCOKTSA-N 1 1 314.385 2.509 40 0 DFABMO c1csc(C[N@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096218647 426409809 /nfs/dbraw/zinc/40/98/09/426409809.db2.gz WQMSIRWAGYLTBG-NVXWUHKLSA-N 1 1 316.426 2.956 40 0 DFABMO c1csc(CN2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)c1 ZINC000096255856 426410637 /nfs/dbraw/zinc/41/06/37/426410637.db2.gz LCQQSMRXACUKGU-UHFFFAOYSA-N 1 1 302.447 2.625 40 0 DFABMO CC(C)n1nc(C[NH+](C)C)c2c1CN(Cc1ccco1)CC2 ZINC000096255930 426410695 /nfs/dbraw/zinc/41/06/95/426410695.db2.gz ODLSUNUFPGQETD-UHFFFAOYSA-N 1 1 302.422 2.677 40 0 DFABMO Cc1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096253825 426410866 /nfs/dbraw/zinc/41/08/66/426410866.db2.gz JBBCGCOFKGIBIR-UHFFFAOYSA-N 1 1 308.429 2.944 40 0 DFABMO Cc1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096253825 426410870 /nfs/dbraw/zinc/41/08/70/426410870.db2.gz JBBCGCOFKGIBIR-UHFFFAOYSA-N 1 1 308.429 2.944 40 0 DFABMO c1cncc(C[N@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000096250157 426410999 /nfs/dbraw/zinc/41/09/99/426410999.db2.gz VOHAWVZHFZPXLG-NZSAHSFTSA-N 1 1 324.428 2.568 40 0 DFABMO c1cncc(C[N@@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000096250157 426411001 /nfs/dbraw/zinc/41/10/01/426411001.db2.gz VOHAWVZHFZPXLG-NZSAHSFTSA-N 1 1 324.428 2.568 40 0 DFABMO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096260858 426412172 /nfs/dbraw/zinc/41/21/72/426412172.db2.gz JMRYDRNOOOLSPW-UHFFFAOYSA-N 1 1 311.385 2.571 40 0 DFABMO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096260858 426412174 /nfs/dbraw/zinc/41/21/74/426412174.db2.gz JMRYDRNOOOLSPW-UHFFFAOYSA-N 1 1 311.385 2.571 40 0 DFABMO COc1ncccc1C[N@@H+]1CC[C@@H](OC)[C@@H]1Cc1ccccc1 ZINC000096261245 426412649 /nfs/dbraw/zinc/41/26/49/426412649.db2.gz DMENEVJYCPXZDI-ZWKOTPCHSA-N 1 1 312.413 2.922 40 0 DFABMO O=C(N[C@H]1CCO[C@]2(CC[N@H+](C3CCC3)C2)C1)c1ccsc1 ZINC000096205911 426407120 /nfs/dbraw/zinc/40/71/20/426407120.db2.gz FKIFYILCQPQNLT-WMLDXEAASA-N 1 1 320.458 2.654 40 0 DFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096215564 426407187 /nfs/dbraw/zinc/40/71/87/426407187.db2.gz AINUJDLTWFDBML-KCQAQPDRSA-N 1 1 319.430 2.580 40 0 DFABMO O=C(c1ccco1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000264207692 426517806 /nfs/dbraw/zinc/51/78/06/426517806.db2.gz SEZJAPUVBGXMGZ-UHFFFAOYSA-N 1 1 310.397 2.943 40 0 DFABMO CC(C)(C)NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000195531562 426536217 /nfs/dbraw/zinc/53/62/17/426536217.db2.gz NUQRSVQKGQBRCM-DLBZAZTESA-N 1 1 318.461 2.879 40 0 DFABMO c1ccc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)nc1 ZINC000248115930 426980888 /nfs/dbraw/zinc/98/08/88/426980888.db2.gz SJTHMCOSFUEWJT-HNNXBMFYSA-N 1 1 313.426 2.616 40 0 DFABMO CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]c(C)n1 ZINC000329027845 427026924 /nfs/dbraw/zinc/02/69/24/427026924.db2.gz PTJQYFKQFHSQJP-LBPRGKRZSA-N 1 1 312.417 2.833 40 0 DFABMO C[C@H]1CN(CC[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000249365961 427110426 /nfs/dbraw/zinc/11/04/26/427110426.db2.gz VVNTVVJJHRQINM-QWHCGFSZSA-N 1 1 308.388 2.618 40 0 DFABMO CC(C)n1cc(C[NH2+]Cc2ccnn2CC(F)(F)F)cn1 ZINC000256049712 427304272 /nfs/dbraw/zinc/30/42/72/427304272.db2.gz BBVJCLFSWJAZNX-UHFFFAOYSA-N 1 1 301.316 2.513 40 0 DFABMO Cc1cc(C2CC[NH+](Cc3cscn3)CC2)nc2ccnn21 ZINC000257210635 427310096 /nfs/dbraw/zinc/31/00/96/427310096.db2.gz BVNTWPOCNCFKDS-UHFFFAOYSA-N 1 1 313.430 2.874 40 0 DFABMO C[N@@H+](Cc1cccnc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257203201 427310501 /nfs/dbraw/zinc/31/05/01/427310501.db2.gz APASNPVBTAYFNM-QYZOEREBSA-N 1 1 312.413 2.874 40 0 DFABMO Cc1c[nH]c([C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000257213202 427313799 /nfs/dbraw/zinc/31/37/99/427313799.db2.gz CGOLIWBQSJSDCW-MRXNPFEDSA-N 1 1 308.385 2.840 40 0 DFABMO Cc1c[nH]c([C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000257213202 427313806 /nfs/dbraw/zinc/31/38/06/427313806.db2.gz CGOLIWBQSJSDCW-MRXNPFEDSA-N 1 1 308.385 2.840 40 0 DFABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3nc(C)cn3C)C2)c1C ZINC000257226198 427316989 /nfs/dbraw/zinc/31/69/89/427316989.db2.gz FJPMMKHULHCONX-HNNXBMFYSA-N 1 1 301.438 2.551 40 0 DFABMO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(NC)nc(C)n2)c(C)n1 ZINC000257227607 427317972 /nfs/dbraw/zinc/31/79/72/427317972.db2.gz FQBZEHZOLZMUKZ-INIZCTEOSA-N 1 1 314.437 2.689 40 0 DFABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(NC)nc(C)n2)c(C)n1 ZINC000257227607 427317976 /nfs/dbraw/zinc/31/79/76/427317976.db2.gz FQBZEHZOLZMUKZ-INIZCTEOSA-N 1 1 314.437 2.689 40 0 DFABMO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n[nH]1 ZINC000257246667 427320563 /nfs/dbraw/zinc/32/05/63/427320563.db2.gz IVESCDUHGYHDFQ-PTOXDTDZSA-N 1 1 316.449 2.668 40 0 DFABMO c1ncc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257254134 427324201 /nfs/dbraw/zinc/32/42/01/427324201.db2.gz KBUKBQDNMIVBQP-HNNXBMFYSA-N 1 1 321.388 2.675 40 0 DFABMO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000257254749 427325284 /nfs/dbraw/zinc/32/52/84/427325284.db2.gz KEMWNVQIMCPBPU-AWEZNQCLSA-N 1 1 313.401 2.636 40 0 DFABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000257254749 427325292 /nfs/dbraw/zinc/32/52/92/427325292.db2.gz KEMWNVQIMCPBPU-AWEZNQCLSA-N 1 1 313.401 2.636 40 0 DFABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)cn3C)C2)ccc1F ZINC000257260427 427329055 /nfs/dbraw/zinc/32/90/55/427329055.db2.gz LCTZCKZUGKWMQU-CQSZACIVSA-N 1 1 303.381 2.866 40 0 DFABMO Fc1cccnc1C[N@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257268026 427329644 /nfs/dbraw/zinc/32/96/44/427329644.db2.gz MJYGYQJANKYHJA-CYBMUJFWSA-N 1 1 311.364 2.872 40 0 DFABMO c1cc2ccc(C[C@H]3COCC[N@H+](Cc4c[nH]cn4)C3)cc2o1 ZINC000257326097 427330609 /nfs/dbraw/zinc/33/06/09/427330609.db2.gz WVUPRUNEOUUFSQ-OAHLLOKOSA-N 1 1 311.385 2.847 40 0 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IQXIHMUDSOMGLM-UHFFFAOYSA-N 1 1 309.413 2.763 40 0 DFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1OC ZINC000095533892 257137912 /nfs/dbraw/zinc/13/79/12/257137912.db2.gz IGAPCIITEGIQBV-HNNXBMFYSA-N 1 1 310.357 2.537 40 0 DFABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000000485444 425564858 /nfs/dbraw/zinc/56/48/58/425564858.db2.gz BKZZOCHFQOSGEN-CQSZACIVSA-N 1 1 311.429 2.785 40 0 DFABMO CC(C)c1cc(C(=O)NC(C)(C)C[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000012203207 425722079 /nfs/dbraw/zinc/72/20/79/425722079.db2.gz AZKJIERVECKSEA-AWEZNQCLSA-N 1 1 320.481 2.926 40 0 DFABMO CCOC(=O)c1ccc(-c2ccc(CNCC[NH+](C)C)o2)cc1 ZINC000022076238 425796983 /nfs/dbraw/zinc/79/69/83/425796983.db2.gz AYIKGBPFIYOESY-UHFFFAOYSA-N 1 1 316.401 2.775 40 0 DFABMO COc1cccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013668133 425758953 /nfs/dbraw/zinc/75/89/53/425758953.db2.gz WMHLEBWKDUFEEZ-GASCZTMLSA-N 1 1 304.434 2.793 40 0 DFABMO COc1ccc(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000030752557 425832162 /nfs/dbraw/zinc/83/21/62/425832162.db2.gz TUNWNYOSMOTSLW-IYBDPMFKSA-N 1 1 318.461 2.722 40 0 DFABMO CNc1[nH+]cccc1CCc1cccc(OC)c1C(=O)OC ZINC000035973584 425844985 /nfs/dbraw/zinc/84/49/85/425844985.db2.gz UYWQSURDJMXHBI-UHFFFAOYSA-N 1 1 300.358 2.704 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000036718956 425846299 /nfs/dbraw/zinc/84/62/99/425846299.db2.gz LDARSZITWJJGDR-ZMSDIMECSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@H]2CCCN2C[C@H]1C ZINC000036718956 425846300 /nfs/dbraw/zinc/84/63/00/425846300.db2.gz LDARSZITWJJGDR-ZMSDIMECSA-N 1 1 316.445 2.762 40 0 DFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@H]2CCCN2C[C@H]1C ZINC000036718956 425846301 /nfs/dbraw/zinc/84/63/01/425846301.db2.gz LDARSZITWJJGDR-ZMSDIMECSA-N 1 1 316.445 2.762 40 0 DFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)s1 ZINC000107228802 425986315 /nfs/dbraw/zinc/98/63/15/425986315.db2.gz MQCPIEIVMHQYSZ-GDBMZVCRSA-N 1 1 318.446 2.644 40 0 DFABMO COc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1 ZINC000107742905 426001926 /nfs/dbraw/zinc/00/19/26/426001926.db2.gz IXHQRAKIVMRCTJ-LPHOPBHVSA-N 1 1 322.408 2.790 40 0 DFABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)s1 ZINC000107745904 426002315 /nfs/dbraw/zinc/00/23/15/426002315.db2.gz GWYZMTJHEHFVHZ-MUJYYYPQSA-N 1 1 304.459 2.747 40 0 DFABMO O=C(C[C@H]1[C@H]2C[N@H+](Cc3cccs3)C[C@@H]12)Nc1cccnc1 ZINC000107745989 426002474 /nfs/dbraw/zinc/00/24/74/426002474.db2.gz CSUDNNOXOIROFW-MUJYYYPQSA-N 1 1 313.426 2.850 40 0 DFABMO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4ccncc4C)C[C@@H]23)cc1 ZINC000072343278 426015040 /nfs/dbraw/zinc/01/50/40/426015040.db2.gz VKNIUXSAIYILOP-QZTJIDSGSA-N 1 1 307.397 2.933 40 0 DFABMO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4ccncc4C)C[C@@H]23)cc1 ZINC000072343278 426015044 /nfs/dbraw/zinc/01/50/44/426015044.db2.gz VKNIUXSAIYILOP-QZTJIDSGSA-N 1 1 307.397 2.933 40 0 DFABMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccncc3)C2)cc1 ZINC000078737247 426183331 /nfs/dbraw/zinc/18/33/31/426183331.db2.gz OSXJFPDYRYWBAI-OAHLLOKOSA-N 1 1 311.385 2.518 40 0 DFABMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccncc3)C2)cc1 ZINC000078737247 426183334 /nfs/dbraw/zinc/18/33/34/426183334.db2.gz OSXJFPDYRYWBAI-OAHLLOKOSA-N 1 1 311.385 2.518 40 0 DFABMO FC(F)(F)COCC[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890743 426188013 /nfs/dbraw/zinc/18/80/13/426188013.db2.gz WJAHFGVJZDVVCT-LLVKDONJSA-N 1 1 319.327 2.705 40 0 DFABMO FC(F)(F)COCC[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890743 426188016 /nfs/dbraw/zinc/18/80/16/426188016.db2.gz WJAHFGVJZDVVCT-LLVKDONJSA-N 1 1 319.327 2.705 40 0 DFABMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000084660627 426242802 /nfs/dbraw/zinc/24/28/02/426242802.db2.gz XIIUMJVFILEFTG-RYUDHWBXSA-N 1 1 316.380 2.588 40 0 DFABMO CC(=O)Nc1cccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC000084796874 426245417 /nfs/dbraw/zinc/24/54/17/426245417.db2.gz BZDBYTFEQOTGFT-KRWDZBQOSA-N 1 1 311.385 2.693 40 0 DFABMO C/C=C1/[C@H]2[N@H+]3CC[C@]24c2ccccc2NC4=C(C(=O)OC)[C@H]1CC3 ZINC000141196469 426257585 /nfs/dbraw/zinc/25/75/85/426257585.db2.gz BJAFGFIFFFKGKA-QVFNXPESSA-N 1 1 322.408 2.831 40 0 biogenic,in-vitro DFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccco1)[C@H]2C ZINC000096061975 426395451 /nfs/dbraw/zinc/39/54/51/426395451.db2.gz DUOFVLOLVMSPBW-AWEZNQCLSA-N 1 1 302.422 2.893 40 0 DFABMO O=C(c1ccoc1)N1CC[C@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076094 426396121 /nfs/dbraw/zinc/39/61/21/426396121.db2.gz BNTKORYQCGNKKS-SFHVURJKSA-N 1 1 314.360 2.909 40 0 DFABMO O=C(c1ccoc1)N1CC[C@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076094 426396124 /nfs/dbraw/zinc/39/61/24/426396124.db2.gz BNTKORYQCGNKKS-SFHVURJKSA-N 1 1 314.360 2.909 40 0 DFABMO Cc1nc(CN2CCc3onc(C[NH+]4CCCC4)c3C2)cs1 ZINC000096084818 426396538 /nfs/dbraw/zinc/39/65/38/426396538.db2.gz JLBOYVPDLOWVFW-UHFFFAOYSA-N 1 1 318.446 2.594 40 0 DFABMO O=C(NC[C@H]1CC12CC[NH+](Cc1nccs1)CC2)C1CCC1 ZINC000096077331 426396727 /nfs/dbraw/zinc/39/67/27/426396727.db2.gz HLNZJWMNAVHXOK-CQSZACIVSA-N 1 1 319.474 2.662 40 0 DFABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1 ZINC000096070055 426397068 /nfs/dbraw/zinc/39/70/68/426397068.db2.gz SMTKTUOJBMWBQY-MSOLQXFVSA-N 1 1 316.449 2.539 40 0 DFABMO CCOC[C@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096186637 426405089 /nfs/dbraw/zinc/40/50/89/426405089.db2.gz NFBWXMJYGDZUQB-PMPSAXMXSA-N 1 1 319.401 2.574 40 0 DFABMO CC(C)[N@@H+](C)C[C@H]1Cn2ccnc2CN(Cc2ccsc2)C1 ZINC000096188311 426405283 /nfs/dbraw/zinc/40/52/83/426405283.db2.gz OEFXTOCZUUXYDP-MRXNPFEDSA-N 1 1 318.490 2.917 40 0 DFABMO [NH3+][C@@H](c1nnc(-c2cccc(O)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095533956 426374125 /nfs/dbraw/zinc/37/41/25/426374125.db2.gz BMSCTBATGLRPOP-CYBMUJFWSA-N 1 1 300.749 2.879 40 0 DFABMO CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2 ZINC000096038494 426389454 /nfs/dbraw/zinc/38/94/54/426389454.db2.gz QOQPWKXCXCRHQI-WMZOPIPTSA-N 1 1 302.418 2.718 40 0 DFABMO CC[C@@H]1[N@@H+](Cc2ccccc2OC)CCC[C@]12CCC(=O)N2 ZINC000096038502 426389541 /nfs/dbraw/zinc/38/95/41/426389541.db2.gz BKRHVYHPKFQHEH-WMZOPIPTSA-N 1 1 302.418 2.718 40 0 DFABMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 ZINC000096046141 426391011 /nfs/dbraw/zinc/39/10/11/426391011.db2.gz ORGPAOQQDWRSCC-NWANDNLSSA-N 1 1 316.430 2.594 40 0 DFABMO COc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096042086 426391186 /nfs/dbraw/zinc/39/11/86/426391186.db2.gz SCWSXQPOYGGTBP-GBESFXJTSA-N 1 1 317.429 2.854 40 0 DFABMO COc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096042086 426391189 /nfs/dbraw/zinc/39/11/89/426391189.db2.gz SCWSXQPOYGGTBP-GBESFXJTSA-N 1 1 317.429 2.854 40 0 DFABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN1c1ccsc1 ZINC000096053679 426392328 /nfs/dbraw/zinc/39/23/28/426392328.db2.gz HSIKGYAYZLBBNR-FZMZJTMJSA-N 1 1 304.440 2.904 40 0 DFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(c1ncccn1)CC2 ZINC000096051572 426392464 /nfs/dbraw/zinc/39/24/64/426392464.db2.gz ZOOCINHQCKKADZ-MRXNPFEDSA-N 1 1 312.417 2.951 40 0 DFABMO O=C(c1ccsc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096055841 426392610 /nfs/dbraw/zinc/39/26/10/426392610.db2.gz KHQNCAGUAICNIA-JKSUJKDBSA-N 1 1 313.426 2.632 40 0 DFABMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccsc3)O2)n1 ZINC000096057352 426392717 /nfs/dbraw/zinc/39/27/17/426392717.db2.gz OPFYKTXAIMYKMX-MCIONIFRSA-N 1 1 305.403 2.934 40 0 DFABMO Fc1cccc(N2CCC[C@@]3(C2)C[N@@H+](CC2CC2)CCO3)c1 ZINC000096049091 426393167 /nfs/dbraw/zinc/39/31/67/426393167.db2.gz BCPGIXZXSWIMHS-SFHVURJKSA-N 1 1 304.409 2.907 40 0 DFABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000096050690 426393345 /nfs/dbraw/zinc/39/33/45/426393345.db2.gz IXUXJUZTFSLGKV-LJQANCHMSA-N 1 1 314.429 2.530 40 0 DFABMO O=C1[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053709 426393553 /nfs/dbraw/zinc/39/35/53/426393553.db2.gz HNOPCBBYDZRBMR-RDJZCZTQSA-N 1 1 314.360 2.509 40 0 DFABMO CC(=O)N1CCC2(C[C@H](COCC3CC3)[N@@H+](CC3CC3)C2)CC1 ZINC000096217310 426408176 /nfs/dbraw/zinc/40/81/76/426408176.db2.gz FLPGSAOGWDODIZ-GOSISDBHSA-N 1 1 320.477 2.526 40 0 DFABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC000096216080 426408491 /nfs/dbraw/zinc/40/84/91/426408491.db2.gz OSYMSEOXNUROFH-SFHVURJKSA-N 1 1 317.433 2.516 40 0 DFABMO Cc1cnc(N2CC[C@@]3(CCC[N@H+]3Cc3cccc(C)n3)C2)nc1 ZINC000096203076 426408515 /nfs/dbraw/zinc/40/85/15/426408515.db2.gz NQXYRTBINYAEET-IBGZPJMESA-N 1 1 323.444 2.733 40 0 DFABMO c1csc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410880 /nfs/dbraw/zinc/41/08/80/426410880.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 1 1 314.458 2.635 40 0 DFABMO c1csc(C[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410883 /nfs/dbraw/zinc/41/08/83/426410883.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 1 1 314.458 2.635 40 0 DFABMO c1csc(C[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410887 /nfs/dbraw/zinc/41/08/87/426410887.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 1 1 314.458 2.635 40 0 DFABMO Cc1nc(N2CCCC2)nc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000096254689 426410959 /nfs/dbraw/zinc/41/09/59/426410959.db2.gz GQJYCYRNBQQZOB-UHFFFAOYSA-N 1 1 312.417 2.579 40 0 DFABMO O=C(c1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC000096246073 426411194 /nfs/dbraw/zinc/41/11/94/426411194.db2.gz OXRHTOXWRJLHGB-SWLSCSKDSA-N 1 1 302.399 2.688 40 0 DFABMO Cc1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 ZINC000096245574 426411242 /nfs/dbraw/zinc/41/12/42/426411242.db2.gz JHFMAHOTOZMNLG-KDURUIRLSA-N 1 1 321.424 2.594 40 0 DFABMO Cc1cc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccc1N ZINC000098181624 426480327 /nfs/dbraw/zinc/48/03/27/426480327.db2.gz NOLHWSVJMBRBRD-UHFFFAOYSA-N 1 1 305.422 2.630 40 0 DFABMO O=C1[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2CN1c1ccccc1 ZINC000247713668 426960057 /nfs/dbraw/zinc/96/00/57/426960057.db2.gz LSJMUAGSARVWMQ-CRAIPNDOSA-N 1 1 310.372 2.921 40 0 DFABMO CNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C)n1 ZINC000329022995 427028954 /nfs/dbraw/zinc/02/89/54/427028954.db2.gz OPYFHUROSUBCII-UHFFFAOYSA-N 1 1 312.417 2.617 40 0 DFABMO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@H](OCC1CC1)CS2 ZINC000251987332 427170943 /nfs/dbraw/zinc/17/09/43/427170943.db2.gz HWWYSTIUESTNJE-AWEZNQCLSA-N 1 1 308.447 2.778 40 0 DFABMO CC(C)n1nccc1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256050836 427304554 /nfs/dbraw/zinc/30/45/54/427304554.db2.gz GQYPVOZTCPXAMS-UHFFFAOYSA-N 1 1 301.316 2.513 40 0 DFABMO CC(=O)N1CC[N@H+](Cc2scnc2C)C[C@@H]1c1ccccc1 ZINC000257202319 427311129 /nfs/dbraw/zinc/31/11/29/427311129.db2.gz ALGMZKYYPINSNE-MRXNPFEDSA-N 1 1 315.442 2.857 40 0 DFABMO CC(=O)N1CC[N@@H+](Cc2scnc2C)C[C@@H]1c1ccccc1 ZINC000257202319 427311133 /nfs/dbraw/zinc/31/11/33/427311133.db2.gz ALGMZKYYPINSNE-MRXNPFEDSA-N 1 1 315.442 2.857 40 0 DFABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000257218393 427315167 /nfs/dbraw/zinc/31/51/67/427315167.db2.gz DCZBTMWMPXFVEC-CYBMUJFWSA-N 1 1 317.462 2.738 40 0 DFABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000257218393 427315173 /nfs/dbraw/zinc/31/51/73/427315173.db2.gz DCZBTMWMPXFVEC-CYBMUJFWSA-N 1 1 317.462 2.738 40 0 DFABMO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257244206 427320575 /nfs/dbraw/zinc/32/05/75/427320575.db2.gz IKJNFSXUAACQRB-AWEZNQCLSA-N 1 1 307.401 2.743 40 0 DFABMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257244206 427320580 /nfs/dbraw/zinc/32/05/80/427320580.db2.gz IKJNFSXUAACQRB-AWEZNQCLSA-N 1 1 307.401 2.743 40 0 DFABMO Cn1cncc1C[N@H+]1CCC[C@H](Cc2nccn3cccc23)CC1 ZINC000257236850 427321211 /nfs/dbraw/zinc/32/12/11/427321211.db2.gz HEAQEVAYVKZSLZ-INIZCTEOSA-N 1 1 323.444 2.913 40 0 DFABMO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000257254750 427323904 /nfs/dbraw/zinc/32/39/04/427323904.db2.gz KEMWNVQIMCPBPU-CQSZACIVSA-N 1 1 313.401 2.636 40 0 DFABMO c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000257254750 427323911 /nfs/dbraw/zinc/32/39/11/427323911.db2.gz 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OCC[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000084335473 426236754 /nfs/dbraw/zinc/23/67/54/426236754.db2.gz NLPAPZJROBDXNI-SNVBAGLBSA-N 1 1 302.187 2.793 40 0 DFABMO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1nnc2n1CCCC2 ZINC000084667988 426243459 /nfs/dbraw/zinc/24/34/59/426243459.db2.gz JARVGBSOWKCCOZ-CYBMUJFWSA-N 1 1 310.401 2.741 40 0 DFABMO COc1ccc(C[N@H+]2CCOC[C@H](OCCC(C)C)C2)cc1 ZINC000085436029 426250822 /nfs/dbraw/zinc/25/08/22/426250822.db2.gz YKEAOAQWYKTPNA-GOSISDBHSA-N 1 1 307.434 2.959 40 0 biogenic,in-vitro DFABMO C[C@@H]1C[N@H+](CCCCNC(=O)CC2=CCCCC2)C[C@H](C)O1 ZINC000085457735 426251967 /nfs/dbraw/zinc/25/19/67/426251967.db2.gz QDWDTWURSBRCJV-IYBDPMFKSA-N 1 1 308.466 2.883 40 0 DFABMO c1coc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC000096058090 426395118 /nfs/dbraw/zinc/39/51/18/426395118.db2.gz AQUSVBQJHPREDM-KSZLIROESA-N 1 1 314.385 2.623 40 0 DFABMO COCC[N@@H+](C)C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21 ZINC000096081911 426396088 /nfs/dbraw/zinc/39/60/88/426396088.db2.gz XGOUBZJQHARVDG-LZLYRXPVSA-N 1 1 303.450 2.512 40 0 DFABMO C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096071408 426396113 /nfs/dbraw/zinc/39/61/13/426396113.db2.gz DUUFXENGUSKNDI-IBGZPJMESA-N 1 1 309.413 2.935 40 0 DFABMO CC[N@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080417 426396490 /nfs/dbraw/zinc/39/64/90/426396490.db2.gz DERQHQXROMUCQP-IBGZPJMESA-N 1 1 309.413 2.946 40 0 DFABMO COCC[N@H+]1CCCC12CCN(C(=O)C1CCCCC1)CC2 ZINC000096075225 426396895 /nfs/dbraw/zinc/39/68/95/426396895.db2.gz PWTKRCKNERQOCK-UHFFFAOYSA-N 1 1 308.466 2.670 40 0 DFABMO CC[C@H]1[N@@H+](CCOCc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC000096100126 426397668 /nfs/dbraw/zinc/39/76/68/426397668.db2.gz FWRJGTSJMSOAAN-MJGOQNOKSA-N 1 1 316.445 2.726 40 0 DFABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)nc2c1 ZINC000096112263 426398865 /nfs/dbraw/zinc/39/88/65/426398865.db2.gz UDSADANIWNCSQW-CJNGLKHVSA-N 1 1 319.380 2.663 40 0 biogenic,in-vitro DFABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)nc2c1 ZINC000096112263 426398869 /nfs/dbraw/zinc/39/88/69/426398869.db2.gz UDSADANIWNCSQW-CJNGLKHVSA-N 1 1 319.380 2.663 40 0 biogenic,in-vitro DFABMO c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCOCC2)C3)c1 ZINC000096109231 426399362 /nfs/dbraw/zinc/39/93/62/426399362.db2.gz DRNKOAMZQWWFET-QAPCUYQASA-N 1 1 302.418 2.742 40 0 DFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cs1 ZINC000096108818 426399588 /nfs/dbraw/zinc/39/95/88/426399588.db2.gz SFVXBYZNMLRCTO-WBVHZDCISA-N 1 1 316.426 2.671 40 0 DFABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1 ZINC000096184300 426404219 /nfs/dbraw/zinc/40/42/19/426404219.db2.gz PARJJYIXHQMPAR-DLBZAZTESA-N 1 1 304.409 2.699 40 0 DFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccoc1)[C@@H]2C ZINC000096201198 426406021 /nfs/dbraw/zinc/40/60/21/426406021.db2.gz NTRBJNCLMKGEAF-CQSZACIVSA-N 1 1 302.422 2.893 40 0 DFABMO Cc1ccc(C[N@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)o1 ZINC000096196688 426406275 /nfs/dbraw/zinc/40/62/75/426406275.db2.gz KBARCQCVNKLRQJ-UHFFFAOYSA-N 1 1 312.413 2.761 40 0 DFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201739 426406372 /nfs/dbraw/zinc/40/63/72/426406372.db2.gz WMMJILXHOQQNII-RDTXWAMCSA-N 1 1 311.385 2.550 40 0 DFABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096039330 426389421 /nfs/dbraw/zinc/38/94/21/426389421.db2.gz YRXNVQADONDFKO-SJORKVTESA-N 1 1 308.422 2.699 40 0 DFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccccc1OC)C2 ZINC000096039137 426389653 /nfs/dbraw/zinc/38/96/53/426389653.db2.gz KVTRGWAYQHOSKL-QZTJIDSGSA-N 1 1 305.418 2.713 40 0 DFABMO COc1ccc(CC[N@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1OC ZINC000096045926 426391317 /nfs/dbraw/zinc/39/13/17/426391317.db2.gz OJKCTNGFBXGPQL-BPUTZDHNSA-N 1 1 305.418 2.746 40 0 DFABMO COc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042089 426391327 /nfs/dbraw/zinc/39/13/27/426391327.db2.gz NJTGMCLNNPRBMQ-YTQUADARSA-N 1 1 317.429 2.854 40 0 DFABMO COc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042089 426391329 /nfs/dbraw/zinc/39/13/29/426391329.db2.gz NJTGMCLNNPRBMQ-YTQUADARSA-N 1 1 317.429 2.854 40 0 DFABMO Cc1ncsc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 ZINC000096042396 426391697 /nfs/dbraw/zinc/39/16/97/426391697.db2.gz HYGCFXYSHICFMJ-FMKPAKJESA-N 1 1 308.447 2.610 40 0 DFABMO Fc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053876 426392779 /nfs/dbraw/zinc/39/27/79/426392779.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO Fc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392781 /nfs/dbraw/zinc/39/27/81/426392781.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO Fc1cccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392782 /nfs/dbraw/zinc/39/27/82/426392782.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 1 1 311.404 2.785 40 0 DFABMO Fc1cccc(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC000096053858 426392946 /nfs/dbraw/zinc/39/29/46/426392946.db2.gz KJYZSHXHWVKISW-GASCZTMLSA-N 1 1 317.433 2.846 40 0 DFABMO Fc1cccc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053878 426393093 /nfs/dbraw/zinc/39/30/93/426393093.db2.gz IBSIUYXHEMSVNE-QZTJIDSGSA-N 1 1 311.404 2.785 40 0 DFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccco1)CC2 ZINC000096051764 426393450 /nfs/dbraw/zinc/39/34/50/426393450.db2.gz VSXZTCCEQYXVEM-OAHLLOKOSA-N 1 1 320.433 2.631 40 0 DFABMO c1csc(C[N@H+]2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)c1 ZINC000096217755 426408073 /nfs/dbraw/zinc/40/80/73/426408073.db2.gz HLJXZXWSAXVJOF-UXLLHSPISA-N 1 1 316.426 2.954 40 0 DFABMO c1coc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096222520 426408676 /nfs/dbraw/zinc/40/86/76/426408676.db2.gz FGTXYVOXKVWCID-QZTJIDSGSA-N 1 1 314.385 2.877 40 0 DFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096219670 426408964 /nfs/dbraw/zinc/40/89/64/426408964.db2.gz SLTHEGUMKPSSKK-HOCLYGCPSA-N 1 1 303.431 2.859 40 0 DFABMO CC[N@@H+](C)[C@@H]1C=CC2(CC1)CCN(C(=O)c1ccccn1)CC2 ZINC000096240284 426411110 /nfs/dbraw/zinc/41/11/10/426411110.db2.gz CMOHEPPNZWWUAL-MRXNPFEDSA-N 1 1 313.445 2.974 40 0 DFABMO c1cc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)co1 ZINC000096255227 426411554 /nfs/dbraw/zinc/41/15/54/426411554.db2.gz IHGLXJDODDVYJP-UHFFFAOYSA-N 1 1 306.369 2.732 40 0 DFABMO CC[NH+]1CCC2(C[C@H](COC)N(Cc3csc(C)n3)C2)CC1 ZINC000096240355 426411612 /nfs/dbraw/zinc/41/16/12/426411612.db2.gz KRJYXRKMYKYXCV-MRXNPFEDSA-N 1 1 323.506 2.774 40 0 DFABMO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000096215434 426407142 /nfs/dbraw/zinc/40/71/42/426407142.db2.gz PYWZASIWCOMDCQ-GOSISDBHSA-N 1 1 301.434 2.666 40 0 DFABMO CCOC[C@@H]1CCC2(CCN(Cc3csc(C)n3)CC2)[N@H+]1C ZINC000096207125 426407152 /nfs/dbraw/zinc/40/71/52/426407152.db2.gz IBADYQAXGUBGJS-INIZCTEOSA-N 1 1 323.506 2.917 40 0 DFABMO CCOC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@H+]1C ZINC000096208350 426407182 /nfs/dbraw/zinc/40/71/82/426407182.db2.gz UGEFNUPPHMIWMK-MRXNPFEDSA-N 1 1 306.450 2.589 40 0 DFABMO Cc1cccc(CO[C@H]2CCOC3(C[NH+](C4CCC4)C3)C2)n1 ZINC000247872063 426965084 /nfs/dbraw/zinc/96/50/84/426965084.db2.gz LMOJJRZBEGBPCJ-KRWDZBQOSA-N 1 1 302.418 2.693 40 0 DFABMO Cc1nc(CN2CC[C@@H]3[C@H](CC2)OCC[N@H+]3CC2CC2)cs1 ZINC000247942077 426968873 /nfs/dbraw/zinc/96/88/73/426968873.db2.gz HAPMRTRXUGUEQB-SJORKVTESA-N 1 1 321.490 2.527 40 0 DFABMO CO[C@@H]1CSC2(C[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000247977369 426972910 /nfs/dbraw/zinc/97/29/10/426972910.db2.gz WOWXJCOQVPHKLZ-HNNXBMFYSA-N 1 1 300.427 2.941 40 0 DFABMO CC(C)[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccsc2)C1 ZINC000248021712 426974230 /nfs/dbraw/zinc/97/42/30/426974230.db2.gz UYBIHISHRLZIGW-CQSZACIVSA-N 1 1 318.446 2.530 40 0 DFABMO CC(C)[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccsc2)C1 ZINC000248021712 426974238 /nfs/dbraw/zinc/97/42/38/426974238.db2.gz UYBIHISHRLZIGW-CQSZACIVSA-N 1 1 318.446 2.530 40 0 DFABMO c1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)nc1 ZINC000248057829 426978472 /nfs/dbraw/zinc/97/84/72/426978472.db2.gz CHBXGBOZXBHTOP-INIZCTEOSA-N 1 1 313.426 2.616 40 0 DFABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@@H]12 ZINC000248132601 426980865 /nfs/dbraw/zinc/98/08/65/426980865.db2.gz NOKAQFBQZOHOFQ-UXHICEINSA-N 1 1 307.441 2.929 40 0 DFABMO COC[C@@H]1CC[N@@H+](C)C2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC000248121839 426981312 /nfs/dbraw/zinc/98/13/12/426981312.db2.gz KLIRODOINUSJPX-OAHLLOKOSA-N 1 1 313.445 2.711 40 0 DFABMO COC[C@@H]1CCN(C)C2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000248121839 426981319 /nfs/dbraw/zinc/98/13/19/426981319.db2.gz KLIRODOINUSJPX-OAHLLOKOSA-N 1 1 313.445 2.711 40 0 DFABMO CC[C@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O ZINC000253577187 427215635 /nfs/dbraw/zinc/21/56/35/427215635.db2.gz WTNJGOZLMGQCDK-NHYWBVRUSA-N 1 1 322.355 2.861 40 0 DFABMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257202994 427310028 /nfs/dbraw/zinc/31/00/28/427310028.db2.gz AOEMYCZFSDXQNN-MRXNPFEDSA-N 1 1 310.405 2.796 40 0 DFABMO Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257202994 427310034 /nfs/dbraw/zinc/31/00/34/427310034.db2.gz AOEMYCZFSDXQNN-MRXNPFEDSA-N 1 1 310.405 2.796 40 0 DFABMO Cc1nc(C)c(CC(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)s1 ZINC000257205330 427310574 /nfs/dbraw/zinc/31/05/74/427310574.db2.gz AYNNDVOOAZMLQY-RDJZCZTQSA-N 1 1 321.490 2.778 40 0 DFABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cccnc2NC)n1 ZINC000257219186 427313599 /nfs/dbraw/zinc/31/35/99/427313599.db2.gz DFXMRJAXPPFHRY-OAHLLOKOSA-N 1 1 312.421 2.682 40 0 DFABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cccnc2NC)n1 ZINC000257219186 427313604 /nfs/dbraw/zinc/31/36/04/427313604.db2.gz DFXMRJAXPPFHRY-OAHLLOKOSA-N 1 1 312.421 2.682 40 0 DFABMO Cc1nc[nH]c1C[N@H+](C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257230602 427317530 /nfs/dbraw/zinc/31/75/30/427317530.db2.gz GDAWHJZNIXTDKH-SQNIBIBYSA-N 1 1 315.417 2.511 40 0 DFABMO Cc1nc(C[N@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cs1 ZINC000257236274 427319753 /nfs/dbraw/zinc/31/97/53/427319753.db2.gz 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Fc1ccc(-c2cc(C[NH2+]Cc3ccco3)c3nnnn3c2)cc1 ZINC000072392348 191148088 /nfs/dbraw/zinc/14/80/88/191148088.db2.gz YPWOPVKKFCKDHI-UHFFFAOYSA-N 1 1 323.331 2.813 40 0 DFABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000072392518 191149513 /nfs/dbraw/zinc/14/95/13/191149513.db2.gz HXLFWTKTKKJVNF-SCTDSRPQSA-N 1 1 309.413 2.515 40 0 DFABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393821 191149961 /nfs/dbraw/zinc/14/99/61/191149961.db2.gz ZYKBNZHVIOHFOH-CYBMUJFWSA-N 1 1 311.364 2.872 40 0 DFABMO c1cc2ccc(C[N@@H+]3CCOC[C@@H](Cc4cnccn4)C3)cc2[nH]1 ZINC000072388276 191146698 /nfs/dbraw/zinc/14/66/98/191146698.db2.gz OKKGYVXPMLWUIN-INIZCTEOSA-N 1 1 322.412 2.649 40 0 DFABMO Nc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccn1 ZINC000193442021 201052108 /nfs/dbraw/zinc/05/21/08/201052108.db2.gz FHWIWCQCSCGSSS-DLBZAZTESA-N 1 1 315.392 2.891 40 0 DFABMO CC(C)c1ccsc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000078788455 398987175 /nfs/dbraw/zinc/98/71/75/398987175.db2.gz 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C[C@H]1c2ccsc2CC[N@@H+]1CC(C)(C)CN1CCN(C)CC1 ZINC000019498345 182125676 /nfs/dbraw/zinc/12/56/76/182125676.db2.gz JSFNGVKTERVXQG-HNNXBMFYSA-N 1 1 321.534 2.941 40 0 DFABMO Cc1[nH+]ccn1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000019657094 182134883 /nfs/dbraw/zinc/13/48/83/182134883.db2.gz OMMZPVFYUVNLAM-UHFFFAOYSA-N 1 1 308.385 2.648 40 0 DFABMO Cn1nccc1C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658622 182135101 /nfs/dbraw/zinc/13/51/01/182135101.db2.gz MQSWVHJYVFVROP-CQSZACIVSA-N 1 1 309.417 2.751 40 0 DFABMO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849950 183011710 /nfs/dbraw/zinc/01/17/10/183011710.db2.gz NSCMHKNNSXWLIO-GOSISDBHSA-N 1 1 309.413 2.610 40 0 DFABMO CC(C)OCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038858578 183012192 /nfs/dbraw/zinc/01/21/92/183012192.db2.gz REQXNMLVUNTJSV-GOSISDBHSA-N 1 1 318.461 2.830 40 0 DFABMO Cc1cnc(CN(C)[C@H]2CC[N@@H+](CCc3cccs3)C2)o1 ZINC000084258899 542507494 /nfs/dbraw/zinc/50/74/94/542507494.db2.gz DEXUTLACHPSDBN-AWEZNQCLSA-N 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/nfs/dbraw/zinc/39/30/56/426393056.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 1 1 300.377 2.983 40 0 DFABMO Fc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccco4)C[C@H]3C2)c1 ZINC000096053846 426393060 /nfs/dbraw/zinc/39/30/60/426393060.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 1 1 300.377 2.983 40 0 DFABMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]3C2=O)c1 ZINC000096053702 426393350 /nfs/dbraw/zinc/39/33/50/426393350.db2.gz LWUJIODMJLIVRC-WMZOPIPTSA-N 1 1 310.397 2.678 40 0 DFABMO O=C1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2CN1c1ccccc1 ZINC000096053589 426393762 /nfs/dbraw/zinc/39/37/62/426393762.db2.gz LSJMUAGSARVWMQ-QAPCUYQASA-N 1 1 310.372 2.921 40 0 DFABMO COC[C@H]1CN(C)C[C@@]12CC[N@H+](Cc1cc(C)ccc1C)C2 ZINC000096209624 426407426 /nfs/dbraw/zinc/40/74/26/426407426.db2.gz GGODBWVYBVKKIA-RTBURBONSA-N 1 1 302.462 2.704 40 0 DFABMO COC[C@H]1CN(C)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC000096209624 426407429 /nfs/dbraw/zinc/40/74/29/426407429.db2.gz GGODBWVYBVKKIA-RTBURBONSA-N 1 1 302.462 2.704 40 0 DFABMO 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306.479 2.798 40 0 DFABMO c1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)co1 ZINC000247965742 426967856 /nfs/dbraw/zinc/96/78/56/426967856.db2.gz QJVSPKUXKIQMIG-AWEZNQCLSA-N 1 1 302.399 2.814 40 0 DFABMO Cc1nc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)cs1 ZINC000247942075 426968096 /nfs/dbraw/zinc/96/80/96/426968096.db2.gz HAPMRTRXUGUEQB-IRXDYDNUSA-N 1 1 321.490 2.527 40 0 DFABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000248085530 426980449 /nfs/dbraw/zinc/98/04/49/426980449.db2.gz BCYPBELOXVVJNR-IEBWSBKVSA-N 1 1 310.397 2.768 40 0 DFABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 ZINC000248110848 426981864 /nfs/dbraw/zinc/98/18/64/426981864.db2.gz HFHZFOCWFVKYHD-WOJBJXKFSA-N 1 1 307.441 2.929 40 0 DFABMO CC(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]21 ZINC000248242121 426988694 /nfs/dbraw/zinc/98/86/94/426988694.db2.gz OXPPVJLNVOEJFX-GOEBONIOSA-N 1 1 306.837 2.681 40 0 DFABMO Cc1nc(N[C@@H](C)CO)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329011398 427024544 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Cn1cncc1C[N@H+]1CCC[C@@H](Cc2nccn3cccc23)CC1 ZINC000257236851 427322061 /nfs/dbraw/zinc/32/20/61/427322061.db2.gz HEAQEVAYVKZSLZ-MRXNPFEDSA-N 1 1 323.444 2.913 40 0 DFABMO c1cc2c(C[C@@H]3CCC[N@@H+](Cc4cnc[nH]4)CC3)nccn2c1 ZINC000257249306 427324071 /nfs/dbraw/zinc/32/40/71/427324071.db2.gz JHPOCFVXQZLPCR-OAHLLOKOSA-N 1 1 309.417 2.902 40 0 DFABMO c1cc2c(C[C@@H]3CCC[N@H+](Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249306 427324080 /nfs/dbraw/zinc/32/40/80/427324080.db2.gz JHPOCFVXQZLPCR-OAHLLOKOSA-N 1 1 309.417 2.902 40 0 DFABMO c1cc2c(C[C@@H]3CCC[N@@H+](Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249306 427324086 /nfs/dbraw/zinc/32/40/86/427324086.db2.gz JHPOCFVXQZLPCR-OAHLLOKOSA-N 1 1 309.417 2.902 40 0 DFABMO CNc1nccnc1C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000257249583 427324478 /nfs/dbraw/zinc/32/44/78/427324478.db2.gz JIZGTJLXTLBVIH-LLVKDONJSA-N 1 1 302.344 2.725 40 0 DFABMO Oc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257298793 427333280 /nfs/dbraw/zinc/33/32/80/427333280.db2.gz RNHGNLMSYSGKRD-LJQANCHMSA-N 1 1 313.397 2.798 40 0 DFABMO CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)ccn1 ZINC000257284457 427333902 /nfs/dbraw/zinc/33/39/02/427333902.db2.gz PCTXBCQVIGYNMP-CQSZACIVSA-N 1 1 302.447 2.984 40 0 DFABMO c1cnc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000192020054 427466005 /nfs/dbraw/zinc/46/60/05/427466005.db2.gz MXLPADQPPSZQML-UHFFFAOYSA-N 1 1 308.429 2.751 40 0 DFABMO CCCn1cc[nH+]c1CCCN(C)c1ncnc2onc(C)c21 ZINC000192551980 427563229 /nfs/dbraw/zinc/56/32/29/427563229.db2.gz JZJCAOYYMBGPAP-UHFFFAOYSA-N 1 1 314.393 2.602 40 0 DFABMO c1cc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)ccn1 ZINC000096187632 275064304 /nfs/dbraw/zinc/06/43/04/275064304.db2.gz PISUABZUQJUQKV-UHFFFAOYSA-N 1 1 317.396 2.534 40 0 DFABMO COC(=O)c1sc2c(c1N)CC[N@H+](Cc1ccccc1)C2 ZINC000498050767 429326859 /nfs/dbraw/zinc/32/68/59/429326859.db2.gz PESDWHOFLZAIQA-UHFFFAOYSA-N 1 1 302.399 2.675 40 0 DFABMO CN1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257308672 277103769 /nfs/dbraw/zinc/10/37/69/277103769.db2.gz TXQYQZMXCSJQRT-INIZCTEOSA-N 1 1 324.472 2.979 40 0 DFABMO CC[C@@H](C)N1C[C@]2(CCC[N@H+](Cc3csc(C)n3)C2)C1=O ZINC000585099482 430479742 /nfs/dbraw/zinc/47/97/42/430479742.db2.gz MEYMKYQIMXMDDU-MLGOLLRUSA-N 1 1 307.463 2.674 40 0 DFABMO CC[C@@H](C)N1C[C@]2(CCC[N@@H+](Cc3csc(C)n3)C2)C1=O ZINC000585099482 430479747 /nfs/dbraw/zinc/47/97/47/430479747.db2.gz MEYMKYQIMXMDDU-MLGOLLRUSA-N 1 1 307.463 2.674 40 0 DFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111926 302099380 /nfs/dbraw/zinc/09/93/80/302099380.db2.gz XSOUKIXVIQYNHW-WMZOPIPTSA-N 1 1 322.408 2.993 40 0 biogenic,in-vitro DFABMO Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111926 302099383 /nfs/dbraw/zinc/09/93/83/302099383.db2.gz XSOUKIXVIQYNHW-WMZOPIPTSA-N 1 1 322.408 2.993 40 0 biogenic,in-vitro DFABMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000195540539 323284522 /nfs/dbraw/zinc/28/45/22/323284522.db2.gz PBNCDAAJHIVXRQ-JKSUJKDBSA-N 1 1 313.449 2.792 40 0 DFABMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000195540539 323284523 /nfs/dbraw/zinc/28/45/23/323284523.db2.gz PBNCDAAJHIVXRQ-JKSUJKDBSA-N 1 1 313.449 2.792 40 0 DFABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@H](c1ccoc1)CO2 ZINC000306145735 526396258 /nfs/dbraw/zinc/39/62/58/526396258.db2.gz OVRQVSRTSKIZRV-AWEZNQCLSA-N 1 1 322.405 2.710 40 0 DFABMO CCCCC(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2C ZINC000306142607 528080993 /nfs/dbraw/zinc/08/09/93/528080993.db2.gz XEIFMMLYWDASMN-MRXNPFEDSA-N 1 1 308.466 2.526 40 0 DFABMO