smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1cc(CC2([NH2+]Cc3ccccc3F)COC2)no1 ZINC000067897965 190732242 /nfs/dbraw/zinc/73/22/42/190732242.db2.gz XIBFVMBSNOEGHX-UHFFFAOYSA-N 1 2 306.337 2.061 40 0 biogenic,in-vitro DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072369508 191138888 /nfs/dbraw/zinc/13/88/88/191138888.db2.gz OIZMLRJGYSNWRK-CQSZACIVSA-N 1 2 323.400 2.474 40 0 DEABLO Cc1ccccc1C[C@@]1(CO)C[N@H+](Cc2ccncc2)CCO1 ZINC000585275532 357342756 /nfs/dbraw/zinc/34/27/56/357342756.db2.gz GAXDKAVGHHFQLP-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccccc1C[C@@]1(CO)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585275532 357342757 /nfs/dbraw/zinc/34/27/57/357342757.db2.gz GAXDKAVGHHFQLP-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO OC[C@]1(Cc2ccccc2F)C[N@H+](Cc2ccncc2)CCO1 ZINC000585275555 357342794 /nfs/dbraw/zinc/34/27/94/357342794.db2.gz GKSJFUNWYCXUPO-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@]1(Cc2ccccc2F)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585275555 357342795 /nfs/dbraw/zinc/34/27/95/357342795.db2.gz GKSJFUNWYCXUPO-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257227069 202961938 /nfs/dbraw/zinc/96/19/38/202961938.db2.gz FNMPGCXLEYRYBH-ZDUSSCGKSA-N 1 2 302.378 2.353 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257273573 203001734 /nfs/dbraw/zinc/00/17/34/203001734.db2.gz NHFYBSHCIWHIPF-CYBMUJFWSA-N 1 2 317.364 2.263 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2cncc(Cc3ccc(F)cc3)c2)c1 ZINC000257290580 203015043 /nfs/dbraw/zinc/01/50/43/203015043.db2.gz QDMRRGFPEXIWBX-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO CN(C(=O)c1cncs1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257313905 203037714 /nfs/dbraw/zinc/03/77/14/203037714.db2.gz UUPTXQZOSRCBSB-LBPRGKRZSA-N 1 2 302.403 2.279 40 0 DEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000257323796 203046951 /nfs/dbraw/zinc/04/69/51/203046951.db2.gz WLVQJIMRTUKTLK-AWEZNQCLSA-N 1 2 312.373 2.226 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257335782 203058968 /nfs/dbraw/zinc/05/89/68/203058968.db2.gz YLVVUOCPXDYZEP-AWEZNQCLSA-N 1 2 324.388 2.355 40 0 DEABLO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366183 401710073 /nfs/dbraw/zinc/71/00/73/401710073.db2.gz DMCMYCGYLYVBRL-HNNXBMFYSA-N 1 2 309.373 2.327 40 0 DEABLO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366183 401710075 /nfs/dbraw/zinc/71/00/75/401710075.db2.gz DMCMYCGYLYVBRL-HNNXBMFYSA-N 1 2 309.373 2.327 40 0 DEABLO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000030865484 401866575 /nfs/dbraw/zinc/86/65/75/401866575.db2.gz ZFCCWRGIMYQATQ-HNNXBMFYSA-N 1 2 305.353 2.386 40 0 DEABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095533649 402033568 /nfs/dbraw/zinc/03/35/68/402033568.db2.gz SHHIZVSNSNPTCQ-MRXNPFEDSA-N 1 2 310.357 2.440 40 0 DEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042064 402048702 /nfs/dbraw/zinc/04/87/02/402048702.db2.gz YVAKUFSMNUGEIO-YESZJQIVSA-N 1 2 306.406 2.450 40 0 DEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042064 402048704 /nfs/dbraw/zinc/04/87/04/402048704.db2.gz YVAKUFSMNUGEIO-YESZJQIVSA-N 1 2 306.406 2.450 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041636 402048894 /nfs/dbraw/zinc/04/88/94/402048894.db2.gz FFWNVEWYIBPIQU-RCCFBDPRSA-N 1 2 321.417 2.455 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041636 402048896 /nfs/dbraw/zinc/04/88/96/402048896.db2.gz FFWNVEWYIBPIQU-RCCFBDPRSA-N 1 2 321.417 2.455 40 0 DEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000096041862 402049034 /nfs/dbraw/zinc/04/90/34/402049034.db2.gz JSLJOEFDMGOOJA-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000096041862 402049035 /nfs/dbraw/zinc/04/90/35/402049035.db2.gz JSLJOEFDMGOOJA-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096042728 402049950 /nfs/dbraw/zinc/04/99/50/402049950.db2.gz RRVSGUNGQDLLNV-IACUBPJLSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096042728 402049953 /nfs/dbraw/zinc/04/99/53/402049953.db2.gz RRVSGUNGQDLLNV-IACUBPJLSA-N 1 2 320.418 2.495 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096057965 402053196 /nfs/dbraw/zinc/05/31/96/402053196.db2.gz GDRXISIIMIPRTM-GVDBMIGSSA-N 1 2 300.358 2.485 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096057965 402053199 /nfs/dbraw/zinc/05/31/99/402053199.db2.gz GDRXISIIMIPRTM-GVDBMIGSSA-N 1 2 300.358 2.485 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060458 402055011 /nfs/dbraw/zinc/05/50/11/402055011.db2.gz OTXWYDMHKYXNJB-HNNXBMFYSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060458 402055013 /nfs/dbraw/zinc/05/50/13/402055013.db2.gz OTXWYDMHKYXNJB-HNNXBMFYSA-N 1 2 312.417 2.434 40 0 DEABLO O=C(c1ccco1)N1CCC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073898 402056751 /nfs/dbraw/zinc/05/67/51/402056751.db2.gz VDGBSCIMJKXEMT-BBRMVZONSA-N 1 2 301.346 2.113 40 0 DEABLO CC(C)NC(=O)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216808 402070423 /nfs/dbraw/zinc/07/04/23/402070423.db2.gz OSAZQDGYPJAUMQ-KRWDZBQOSA-N 1 2 302.422 2.492 40 0 DEABLO Cc1cc(C)cc(C(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)c1 ZINC000096259074 402075527 /nfs/dbraw/zinc/07/55/27/402075527.db2.gz XDDNFYWSQIDNOP-UHFFFAOYSA-N 1 2 312.417 2.255 40 0 DEABLO Cc1ccc(C(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)cc1C ZINC000096259073 402075663 /nfs/dbraw/zinc/07/56/63/402075663.db2.gz DTGFBZNJPHFZBG-UHFFFAOYSA-N 1 2 312.417 2.255 40 0 DEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096187822 402066233 /nfs/dbraw/zinc/06/62/33/402066233.db2.gz MFXIRLPUBIFSBQ-CYBMUJFWSA-N 1 2 306.410 2.004 40 0 DEABLO Cc1ncsc1C[N@H+]1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000248018954 402580650 /nfs/dbraw/zinc/58/06/50/402580650.db2.gz IIINAEAVPIHPRI-HNNXBMFYSA-N 1 2 318.446 2.459 40 0 DEABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000248018954 402580651 /nfs/dbraw/zinc/58/06/51/402580651.db2.gz IIINAEAVPIHPRI-HNNXBMFYSA-N 1 2 318.446 2.459 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257227068 402705407 /nfs/dbraw/zinc/70/54/07/402705407.db2.gz FNMPGCXLEYRYBH-CYBMUJFWSA-N 1 2 302.378 2.353 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@H](Oc2ncccn2)CCO3)cs1 ZINC000253598548 402669624 /nfs/dbraw/zinc/66/96/24/402669624.db2.gz OSSYECYGOFBHNU-CQSZACIVSA-N 1 2 317.414 2.351 40 0 DEABLO CNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329063311 404217061 /nfs/dbraw/zinc/21/70/61/404217061.db2.gz XCHLFWFDHKBXDU-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328979973 404188701 /nfs/dbraw/zinc/18/87/01/404188701.db2.gz GJOMBLHLURYSIV-SNVBAGLBSA-N 1 2 318.808 2.388 40 0 DEABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000072339885 191126366 /nfs/dbraw/zinc/12/63/66/191126366.db2.gz MHIXWCLEJAEKGA-UHFFFAOYSA-N 1 2 319.368 2.198 40 0 DEABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000072339885 191126368 /nfs/dbraw/zinc/12/63/68/191126368.db2.gz MHIXWCLEJAEKGA-UHFFFAOYSA-N 1 2 319.368 2.198 40 0 DEABLO COc1cccc([C@@H](NC(=O)C2CC2)c2[nH+]ccn2C)c1OC ZINC000072346356 191127441 /nfs/dbraw/zinc/12/74/41/191127441.db2.gz DKHVEWMBTIVCQP-CQSZACIVSA-N 1 2 315.373 2.053 40 0 DEABLO O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378760 191141794 /nfs/dbraw/zinc/14/17/94/191141794.db2.gz LZNYYZZYQHFRGT-OAHLLOKOSA-N 1 2 320.356 2.035 40 0 DEABLO C[NH+](C)Cc1cc(C2CCN(C(=O)c3ccccc3)CC2)n[nH]1 ZINC000019708936 354045178 /nfs/dbraw/zinc/04/51/78/354045178.db2.gz QXIGVDZUILCZQQ-UHFFFAOYSA-N 1 2 312.417 2.491 40 0 DEABLO CC(C)c1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000023227781 354058135 /nfs/dbraw/zinc/05/81/35/354058135.db2.gz VVAYFWVQKSSYOK-UHFFFAOYSA-N 1 2 304.434 2.191 40 0 DEABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@H](CC(=O)NC)C2)cc1 ZINC000585111586 357335625 /nfs/dbraw/zinc/33/56/25/357335625.db2.gz CYROCKNPLYMWRF-QGZVFWFLSA-N 1 2 312.417 2.139 40 0 DEABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CC(=O)NC)C2)cc1 ZINC000585111586 357335631 /nfs/dbraw/zinc/33/56/31/357335631.db2.gz CYROCKNPLYMWRF-QGZVFWFLSA-N 1 2 312.417 2.139 40 0 DEABLO Cc1cc(CC[C@@H]2C[N@H+](Cc3ccncc3C)CCO2)ncn1 ZINC000257272383 203001449 /nfs/dbraw/zinc/00/14/49/203001449.db2.gz NCFARPQGKWLPOW-GOSISDBHSA-N 1 2 312.417 2.322 40 0 DEABLO Cc1cc(CC[C@@H]2C[N@@H+](Cc3ccncc3C)CCO2)ncn1 ZINC000257272383 203001453 /nfs/dbraw/zinc/00/14/53/203001453.db2.gz NCFARPQGKWLPOW-GOSISDBHSA-N 1 2 312.417 2.322 40 0 DEABLO Cc1ccc(C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000257334139 203056286 /nfs/dbraw/zinc/05/62/86/203056286.db2.gz YESAPDGESQWHLN-KRWDZBQOSA-N 1 2 312.417 2.458 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2CCOc2ccc(F)cc2)[nH+]1 ZINC000257335888 203057576 /nfs/dbraw/zinc/05/75/76/203057576.db2.gz YMHLGXYZXPLUKI-OAHLLOKOSA-N 1 2 305.353 2.310 40 0 DEABLO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019809846 182152689 /nfs/dbraw/zinc/15/26/89/182152689.db2.gz FFZYPUYWTIIDEL-JQHSSLGASA-N 1 2 314.429 2.437 40 0 DEABLO O=C(NC1CCCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000020543056 182229554 /nfs/dbraw/zinc/22/95/54/182229554.db2.gz SYKWVORLVQDZJT-UHFFFAOYSA-N 1 2 302.422 2.242 40 0 DEABLO COc1cccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)c1 ZINC000095533506 257137439 /nfs/dbraw/zinc/13/74/39/257137439.db2.gz SDOGEXNGNDYGEC-INIZCTEOSA-N 1 2 310.357 2.440 40 0 DEABLO Cc1cccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]23)c1 ZINC000072343235 401709089 /nfs/dbraw/zinc/70/90/89/401709089.db2.gz GFCHDOVTJUTZFO-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1cccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]23)c1 ZINC000072343235 401709092 /nfs/dbraw/zinc/70/90/92/401709092.db2.gz GFCHDOVTJUTZFO-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072383063 401709970 /nfs/dbraw/zinc/70/99/70/401709970.db2.gz XIUJIBLKWHYCLH-CQSZACIVSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072383063 401709973 /nfs/dbraw/zinc/70/99/73/401709973.db2.gz XIUJIBLKWHYCLH-CQSZACIVSA-N 1 2 311.389 2.151 40 0 DEABLO COC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044785 402049916 /nfs/dbraw/zinc/04/99/16/402049916.db2.gz IDKKNROAWMHTNW-GFCCVEGCSA-N 1 2 307.344 2.444 40 0 DEABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096045474 402050369 /nfs/dbraw/zinc/05/03/69/402050369.db2.gz VSPFHIIBRZLSJL-CYBMUJFWSA-N 1 2 318.446 2.403 40 0 DEABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096045474 402050371 /nfs/dbraw/zinc/05/03/71/402050371.db2.gz VSPFHIIBRZLSJL-CYBMUJFWSA-N 1 2 318.446 2.403 40 0 DEABLO COc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3C2)cc1 ZINC000096061808 402055258 /nfs/dbraw/zinc/05/52/58/402055258.db2.gz TZRMKMTWNMQGOV-UHFFFAOYSA-N 1 2 323.400 2.152 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080503 402057204 /nfs/dbraw/zinc/05/72/04/402057204.db2.gz WOXILZNDGVOCNS-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080503 402057205 /nfs/dbraw/zinc/05/72/05/402057205.db2.gz WOXILZNDGVOCNS-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccsc1 ZINC000096201273 402068989 /nfs/dbraw/zinc/06/89/89/402068989.db2.gz LOWIQHVYDANHQJ-LBPRGKRZSA-N 1 2 314.418 2.161 40 0 DEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000096147155 402062231 /nfs/dbraw/zinc/06/22/31/402062231.db2.gz WTJWCLONJHNUEZ-BBRMVZONSA-N 1 2 304.438 2.129 40 0 DEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCCC[C@@H]1C ZINC000096147155 402062233 /nfs/dbraw/zinc/06/22/33/402062233.db2.gz WTJWCLONJHNUEZ-BBRMVZONSA-N 1 2 304.438 2.129 40 0 DEABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000096187747 402066228 /nfs/dbraw/zinc/06/62/28/402066228.db2.gz IDQWKHVAXWRZKZ-OAHLLOKOSA-N 1 2 301.390 2.170 40 0 DEABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000096187747 402066229 /nfs/dbraw/zinc/06/62/29/402066229.db2.gz IDQWKHVAXWRZKZ-OAHLLOKOSA-N 1 2 301.390 2.170 40 0 DEABLO CCc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@@H]2COC)cc1 ZINC000096198467 402067400 /nfs/dbraw/zinc/06/74/00/402067400.db2.gz OSEGTDJXDLSRIA-INIZCTEOSA-N 1 2 300.406 2.123 40 0 DEABLO CCc1ccc(C[N@H+]2CCc3c(nnn3C)[C@@H]2COC)cc1 ZINC000096198467 402067401 /nfs/dbraw/zinc/06/74/01/402067401.db2.gz OSEGTDJXDLSRIA-INIZCTEOSA-N 1 2 300.406 2.123 40 0 DEABLO C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000068368555 402195548 /nfs/dbraw/zinc/19/55/48/402195548.db2.gz PFAFTNVJDWALAM-HNNXBMFYSA-N 1 2 302.418 2.391 40 0 DEABLO c1cncc(OC[C@@H]2CCOC23C[NH+](Cc2ccncc2)C3)c1 ZINC000247827801 402576268 /nfs/dbraw/zinc/57/62/68/402576268.db2.gz JTEXOVLUSQATTA-INIZCTEOSA-N 1 2 311.385 2.147 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)cc(=O)[nH]3)C2)s1 ZINC000257223940 402704752 /nfs/dbraw/zinc/70/47/52/402704752.db2.gz DZPIQZGXTMAMGY-CYBMUJFWSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3nc(C)cc(=O)[nH]3)C2)s1 ZINC000257223940 402704754 /nfs/dbraw/zinc/70/47/54/402704754.db2.gz DZPIQZGXTMAMGY-CYBMUJFWSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)[nH+]1 ZINC000257241336 402707457 /nfs/dbraw/zinc/70/74/57/402707457.db2.gz HXRUAWWOMIIYIP-CQSZACIVSA-N 1 2 316.405 2.282 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc3ccccc3c2)[nH+]1 ZINC000257271004 402711375 /nfs/dbraw/zinc/71/13/75/402711375.db2.gz MWLNXERLHJDRBM-MRXNPFEDSA-N 1 2 322.368 2.480 40 0 DEABLO CCn1ncc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1F ZINC000256054010 402699946 /nfs/dbraw/zinc/69/99/46/402699946.db2.gz UPOOONBELZVNKK-UHFFFAOYSA-N 1 2 305.279 2.084 40 0 DEABLO Cc1ccc(C[N@@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)c(C)c1 ZINC000257204539 402702346 /nfs/dbraw/zinc/70/23/46/402702346.db2.gz AVBOWJIQQHYEES-SFHVURJKSA-N 1 2 310.401 2.070 40 0 DEABLO Cc1ccc(C[N@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)c(C)c1 ZINC000257204539 402702347 /nfs/dbraw/zinc/70/23/47/402702347.db2.gz AVBOWJIQQHYEES-SFHVURJKSA-N 1 2 310.401 2.070 40 0 DEABLO CNc1nc(NCc2cccc(C)c2)cc(-c2cccnc2)[nH+]1 ZINC000329050128 404213049 /nfs/dbraw/zinc/21/30/49/404213049.db2.gz UTEHKGMCXUHVME-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO FC(F)(F)c1sccc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000527701591 406722003 /nfs/dbraw/zinc/72/20/03/406722003.db2.gz WIDJHBMJRVXNMS-UHFFFAOYSA-N 1 2 318.324 2.178 40 0 DEABLO Fc1ccccc1C[NH+]1CCN(c2nccn3ccnc23)CC1 ZINC000306124134 231084810 /nfs/dbraw/zinc/08/48/10/231084810.db2.gz BHAASULJZCHDNL-UHFFFAOYSA-N 1 2 311.364 2.191 40 0 DEABLO Cn1cc(C[N@@H+]2CCc3[nH]nc(Nc4ccccc4)c3C2)cn1 ZINC000072367993 191136770 /nfs/dbraw/zinc/13/67/70/191136770.db2.gz BMXWEUAUEJDBJI-UHFFFAOYSA-N 1 2 308.389 2.445 40 0 DEABLO Cn1cc(C[N@H+]2CCc3[nH]nc(Nc4ccccc4)c3C2)cn1 ZINC000072367993 191136772 /nfs/dbraw/zinc/13/67/72/191136772.db2.gz BMXWEUAUEJDBJI-UHFFFAOYSA-N 1 2 308.389 2.445 40 0 DEABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccncn2)CC1 ZINC000194054109 201170500 /nfs/dbraw/zinc/17/05/00/201170500.db2.gz AJCGZWFVWSWIRM-GFCCVEGCSA-N 1 2 317.418 2.449 40 0 DEABLO CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257244584 202977265 /nfs/dbraw/zinc/97/72/65/202977265.db2.gz ILYKFZLZNWYTFF-CYBMUJFWSA-N 1 2 314.389 2.339 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257285921 203014448 /nfs/dbraw/zinc/01/44/48/203014448.db2.gz PJLDMNKCUYQKBO-CQSZACIVSA-N 1 2 311.389 2.373 40 0 DEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257292803 203016928 /nfs/dbraw/zinc/01/69/28/203016928.db2.gz QMZTXAQMGMMYPX-OAHLLOKOSA-N 1 2 322.372 2.358 40 0 DEABLO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000022115418 182309396 /nfs/dbraw/zinc/30/93/96/182309396.db2.gz NFZOCULMNBBFFL-UHFFFAOYSA-N 1 2 323.437 2.136 40 0 DEABLO COCCn1nnnc1[C@H](c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000019496478 401822284 /nfs/dbraw/zinc/82/22/84/401822284.db2.gz OATLDGDCDDIIFS-OCCSQVGLSA-N 1 2 321.450 2.202 40 0 DEABLO COCCn1nnnc1[C@H](c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000019496478 401822285 /nfs/dbraw/zinc/82/22/85/401822285.db2.gz OATLDGDCDDIIFS-OCCSQVGLSA-N 1 2 321.450 2.202 40 0 DEABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 ZINC000030860019 401866470 /nfs/dbraw/zinc/86/64/70/401866470.db2.gz UVJZIGHSNZEYMB-ZDUSSCGKSA-N 1 2 308.447 2.340 40 0 DEABLO C[NH+]1CCN(c2c(N)cc(Cl)c(N)c2Br)CC1 ZINC000045891337 401963369 /nfs/dbraw/zinc/96/33/69/401963369.db2.gz XLTDZGVAIXQXAI-UHFFFAOYSA-N 1 2 319.634 2.019 40 0 DEABLO COC[C@H]1CN(C(=O)c2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060279 402055087 /nfs/dbraw/zinc/05/50/87/402055087.db2.gz XTWSSRPKKPCEPE-CYBMUJFWSA-N 1 2 315.373 2.272 40 0 DEABLO CC(C)NC(=O)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216810 402070535 /nfs/dbraw/zinc/07/05/35/402070535.db2.gz OSAZQDGYPJAUMQ-QGZVFWFLSA-N 1 2 302.422 2.492 40 0 DEABLO O=C(c1ccno1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216698 402070707 /nfs/dbraw/zinc/07/07/07/402070707.db2.gz MVCQPSPOJXEESG-QGZVFWFLSA-N 1 2 312.373 2.202 40 0 DEABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252900 402075013 /nfs/dbraw/zinc/07/50/13/402075013.db2.gz YNTKWJIRUMEBBJ-OWCLPIDISA-N 1 2 322.836 2.454 40 0 DEABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252900 402075015 /nfs/dbraw/zinc/07/50/15/402075015.db2.gz YNTKWJIRUMEBBJ-OWCLPIDISA-N 1 2 322.836 2.454 40 0 DEABLO O=C(c1n[nH]c2c1C[N@H+](CC1CCCCC1)CC2)N1CC=CC1 ZINC000096187395 402066081 /nfs/dbraw/zinc/06/60/81/402066081.db2.gz YDNOHUZJYNCREV-UHFFFAOYSA-N 1 2 314.433 2.360 40 0 DEABLO O=C(c1n[nH]c2c1C[N@@H+](CC1CCCCC1)CC2)N1CC=CC1 ZINC000096187395 402066082 /nfs/dbraw/zinc/06/60/82/402066082.db2.gz YDNOHUZJYNCREV-UHFFFAOYSA-N 1 2 314.433 2.360 40 0 DEABLO C[NH+]1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1 ZINC000225771135 402323068 /nfs/dbraw/zinc/32/30/68/402323068.db2.gz VTZDJVVOKQGYKD-UHFFFAOYSA-N 1 2 322.821 2.246 40 0 DEABLO CCO[C@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248378211 402588383 /nfs/dbraw/zinc/58/83/83/402588383.db2.gz IVPGRZNDNCNIQT-AWEZNQCLSA-N 1 2 305.374 2.185 40 0 DEABLO CCc1nnsc1C(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257215213 402703673 /nfs/dbraw/zinc/70/36/73/402703673.db2.gz CPDWCVGPWIXAGB-JTQLQIEISA-N 1 2 305.407 2.152 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@H](c3nc(C)c[nH]3)C2)c[nH+]1 ZINC000257227978 402705769 /nfs/dbraw/zinc/70/57/69/402705769.db2.gz FRVWMLGIBZHXBM-AWEZNQCLSA-N 1 2 303.410 2.357 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3nc(C)c[nH]3)C2)[nH+]1 ZINC000257227978 402705771 /nfs/dbraw/zinc/70/57/71/402705771.db2.gz FRVWMLGIBZHXBM-AWEZNQCLSA-N 1 2 303.410 2.357 40 0 DEABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c1C ZINC000329043040 404212003 /nfs/dbraw/zinc/21/20/03/404212003.db2.gz SPUHOSLZADKTSY-LBPRGKRZSA-N 1 2 312.417 2.351 40 0 DEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1occc1C)[C@@H]2C ZINC000585098186 405867736 /nfs/dbraw/zinc/86/77/36/405867736.db2.gz REBZKCFWQXTNOP-GFCCVEGCSA-N 1 2 303.362 2.190 40 0 DEABLO C[NH+]1CCN(c2c(N)cc(Cl)cc2Br)CC1 ZINC000045886142 276930016 /nfs/dbraw/zinc/93/00/16/276930016.db2.gz NONYPRCMOIEURI-UHFFFAOYSA-N 1 2 304.619 2.437 40 0 DEABLO CC(C)c1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000026505240 278038336 /nfs/dbraw/zinc/03/83/36/278038336.db2.gz FTNFZRYMIMXYDD-OLZOCXBDSA-N 1 2 310.444 2.464 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2ccc(F)cc2)[nH+]1 ZINC000257313279 278615975 /nfs/dbraw/zinc/61/59/75/278615975.db2.gz URQHOQHZASBPGB-OAHLLOKOSA-N 1 2 317.364 2.390 40 0 DEABLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000056797548 354543614 /nfs/dbraw/zinc/54/36/14/354543614.db2.gz PTPHTNKILCWREI-INIZCTEOSA-N 1 2 316.380 2.439 40 0 DEABLO CO[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1Cc1ccccc1 ZINC000585275419 357342662 /nfs/dbraw/zinc/34/26/62/357342662.db2.gz CAAPHGFPQKUHME-IRXDYDNUSA-N 1 2 313.401 2.132 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](O)(COc2cccc(F)c2)C1 ZINC000585274859 357342685 /nfs/dbraw/zinc/34/26/85/357342685.db2.gz PSLGGUROBCYMCH-QGZVFWFLSA-N 1 2 319.380 2.263 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@](O)(COc2cccc(F)c2)C1 ZINC000585274859 357342686 /nfs/dbraw/zinc/34/26/86/357342686.db2.gz PSLGGUROBCYMCH-QGZVFWFLSA-N 1 2 319.380 2.263 40 0 DEABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585288973 357344841 /nfs/dbraw/zinc/34/48/41/357344841.db2.gz MAEITMRBMORRQI-AFYXXPPBSA-N 1 2 311.385 2.018 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257296102 203020940 /nfs/dbraw/zinc/02/09/40/203020940.db2.gz RBGAMSIBQZIDTP-LBPRGKRZSA-N 1 2 303.337 2.252 40 0 DEABLO Cc1[nH]ncc1C[NH+]1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257309123 203033388 /nfs/dbraw/zinc/03/33/88/203033388.db2.gz TZQKQKQTLFEGLQ-UHFFFAOYSA-N 1 2 310.405 2.449 40 0 DEABLO CC(=O)NCc1cc([C@H]2CCCN2c2cc(C)[nH+]cn2)ccn1 ZINC000257286679 203013649 /nfs/dbraw/zinc/01/36/49/203013649.db2.gz PMNMCXROCYXANK-MRXNPFEDSA-N 1 2 311.389 2.158 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccnc(Cc3ccccc3F)c2)c1 ZINC000257328391 203051142 /nfs/dbraw/zinc/05/11/42/203051142.db2.gz XFJWNSALOLFUPO-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO Clc1cccc(OCCc2cc([C@@H]3C[NH2+]CCO3)n[nH]2)c1 ZINC000257324055 203046676 /nfs/dbraw/zinc/04/66/76/203046676.db2.gz WMYIVDONHAOWGC-HNNXBMFYSA-N 1 2 307.781 2.346 40 0 DEABLO CC(C)COc1ccc(Cc2nc(N)nc(N)[nH+]2)cc1Cl ZINC000016844126 182061772 /nfs/dbraw/zinc/06/17/72/182061772.db2.gz ONJCTNOLOBFAAE-UHFFFAOYSA-N 1 2 307.785 2.315 40 0 DEABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1coc3ccccc3c1=O)C2 ZINC000019576643 182131265 /nfs/dbraw/zinc/13/12/65/182131265.db2.gz GKMUYKPPUOJTLA-UHFFFAOYSA-N 1 2 323.352 2.155 40 0 DEABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1coc3ccccc3c1=O)C2 ZINC000019576643 182131266 /nfs/dbraw/zinc/13/12/66/182131266.db2.gz GKMUYKPPUOJTLA-UHFFFAOYSA-N 1 2 323.352 2.155 40 0 DEABLO C[NH+]1CCN(C(=O)CSc2cccc3cccnc32)CC1 ZINC000019691146 182136435 /nfs/dbraw/zinc/13/64/35/182136435.db2.gz PRIDMMBTGASWIB-UHFFFAOYSA-N 1 2 301.415 2.101 40 0 DEABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533417 257137297 /nfs/dbraw/zinc/13/72/97/257137297.db2.gz QXMREVQHGFNFRC-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533417 257137299 /nfs/dbraw/zinc/13/72/99/257137299.db2.gz QXMREVQHGFNFRC-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccccc3)n[nH]2)cc1 ZINC000095533417 257137300 /nfs/dbraw/zinc/13/73/00/257137300.db2.gz QXMREVQHGFNFRC-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533416 257137364 /nfs/dbraw/zinc/13/73/64/257137364.db2.gz QXMREVQHGFNFRC-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533416 257137366 /nfs/dbraw/zinc/13/73/66/257137366.db2.gz QXMREVQHGFNFRC-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccccc3)n[nH]2)cc1 ZINC000095533416 257137367 /nfs/dbraw/zinc/13/73/67/257137367.db2.gz QXMREVQHGFNFRC-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO CC(C)(C)OC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000121794216 195348561 /nfs/dbraw/zinc/34/85/61/195348561.db2.gz RZVDISGOTPUWSQ-UHFFFAOYSA-N 1 2 316.405 2.387 40 0 DEABLO CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]1 ZINC000013125245 401797313 /nfs/dbraw/zinc/79/73/13/401797313.db2.gz USGAKCDXBMYSOT-NSHDSACASA-N 1 2 324.171 2.012 40 0 DEABLO O=C1N(C2CCCCC2)C[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000077266891 401807901 /nfs/dbraw/zinc/80/79/01/401807901.db2.gz AYKDSIWCSDDQAK-QGZVFWFLSA-N 1 2 314.433 2.336 40 0 biogenic,in-vitro DEABLO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000077266891 401807905 /nfs/dbraw/zinc/80/79/05/401807905.db2.gz AYKDSIWCSDDQAK-QGZVFWFLSA-N 1 2 314.433 2.336 40 0 biogenic,in-vitro DEABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096045477 402050582 /nfs/dbraw/zinc/05/05/82/402050582.db2.gz MNLFEADYJRNSQY-AWEZNQCLSA-N 1 2 318.446 2.403 40 0 DEABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096045477 402050583 /nfs/dbraw/zinc/05/05/83/402050583.db2.gz MNLFEADYJRNSQY-AWEZNQCLSA-N 1 2 318.446 2.403 40 0 DEABLO CC(C)Nc1ccnc([C@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096220519 402071769 /nfs/dbraw/zinc/07/17/69/402071769.db2.gz HXYZHLLIGXYLNW-OAHLLOKOSA-N 1 2 320.437 2.097 40 0 DEABLO CC(C)Nc1ccnc([C@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096220519 402071772 /nfs/dbraw/zinc/07/17/72/402071772.db2.gz HXYZHLLIGXYLNW-OAHLLOKOSA-N 1 2 320.437 2.097 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1cccnc1)CC2 ZINC000096197778 402067346 /nfs/dbraw/zinc/06/73/46/402067346.db2.gz ASHZDLMAVIZJRV-KRWDZBQOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1cccnc1)CC2 ZINC000096197778 402067348 /nfs/dbraw/zinc/06/73/48/402067348.db2.gz ASHZDLMAVIZJRV-KRWDZBQOSA-N 1 2 312.417 2.341 40 0 DEABLO Cc1cnc(C(=O)N2CCN(CC3CC3)c3[nH+]cccc3C2)cn1 ZINC000096198919 402067481 /nfs/dbraw/zinc/06/74/81/402067481.db2.gz PLWKWZBEMWVOBH-UHFFFAOYSA-N 1 2 323.400 2.052 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)c2c(F)cccc2F)c[nH+]1 ZINC000224349099 402314286 /nfs/dbraw/zinc/31/42/86/402314286.db2.gz LOHRIVNWPFQVSA-UHFFFAOYSA-N 1 2 321.331 2.139 40 0 DEABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccoc1)C2 ZINC000247517287 402570831 /nfs/dbraw/zinc/57/08/31/402570831.db2.gz KFRGQQQTEFWEEJ-CQSZACIVSA-N 1 2 318.348 2.484 40 0 DEABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247538586 402571716 /nfs/dbraw/zinc/57/17/16/402571716.db2.gz RJPUBEQHGLDFKL-CYBMUJFWSA-N 1 2 318.348 2.484 40 0 DEABLO Cc1c[nH]nc1[C@@H]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257211893 402703879 /nfs/dbraw/zinc/70/38/79/402703879.db2.gz CAYPZAFEOCQVLU-CQSZACIVSA-N 1 2 323.400 2.392 40 0 DEABLO CC(=O)N1CC[N@H+](Cc2ccnc(C)n2)C[C@H]1c1ccccc1 ZINC000257230973 402706122 /nfs/dbraw/zinc/70/61/22/402706122.db2.gz GERUZERWPAIQKT-SFHVURJKSA-N 1 2 310.401 2.190 40 0 DEABLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)n2)C[C@H]1c1ccccc1 ZINC000257230973 402706125 /nfs/dbraw/zinc/70/61/25/402706125.db2.gz GERUZERWPAIQKT-SFHVURJKSA-N 1 2 310.401 2.190 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(CC(C)C)no2)[nH+]1 ZINC000257234891 402706877 /nfs/dbraw/zinc/70/68/77/402706877.db2.gz GVLYSGLPZZQGST-ZDUSSCGKSA-N 1 2 318.377 2.118 40 0 DEABLO CN(C(=O)c1cscn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257238932 402707043 /nfs/dbraw/zinc/70/70/43/402707043.db2.gz HNELCLLFPRXTDQ-GFCCVEGCSA-N 1 2 302.403 2.279 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccccc2F)[nH+]1 ZINC000257249333 402707955 /nfs/dbraw/zinc/70/79/55/402707955.db2.gz JHTCLVSDBLIYCS-LBPRGKRZSA-N 1 2 309.366 2.383 40 0 DEABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(N)=O ZINC000257271702 402711557 /nfs/dbraw/zinc/71/15/57/402711557.db2.gz MZKVLDKAWLXZOB-OAHLLOKOSA-N 1 2 314.364 2.360 40 0 DEABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ncc1C(N)=O ZINC000257271702 402711558 /nfs/dbraw/zinc/71/15/58/402711558.db2.gz MZKVLDKAWLXZOB-OAHLLOKOSA-N 1 2 314.364 2.360 40 0 DEABLO CCn1ncc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1F ZINC000256050899 402699875 /nfs/dbraw/zinc/69/98/75/402699875.db2.gz GXSYZSNZDHEDOZ-UHFFFAOYSA-N 1 2 305.279 2.084 40 0 DEABLO CCn1ncc(C[NH2+]Cc2ccnn2CC(F)(F)F)c1F ZINC000256050530 402700283 /nfs/dbraw/zinc/70/02/83/402700283.db2.gz FJRHKRKOMNVHRD-UHFFFAOYSA-N 1 2 305.279 2.091 40 0 DEABLO CCNc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329020296 404203202 /nfs/dbraw/zinc/20/32/02/404203202.db2.gz OAFYNNQEGHPHLK-UHFFFAOYSA-N 1 2 319.412 2.469 40 0 DEABLO COc1cccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130949584 196125828 /nfs/dbraw/zinc/12/58/28/196125828.db2.gz KPERJVMWKJFTHY-HNNXBMFYSA-N 1 2 311.385 2.489 40 0 DEABLO Cc1cc(N2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)ncn1 ZINC000072359251 191131075 /nfs/dbraw/zinc/13/10/75/191131075.db2.gz ZXZASXPUBYXUMA-AWEZNQCLSA-N 1 2 321.388 2.145 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc(Cl)c2)Cc2ccnn21 ZINC000585112967 357335712 /nfs/dbraw/zinc/33/57/12/357335712.db2.gz XFIAHOFDWDWWAJ-HNNXBMFYSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)Cc2ccnn21 ZINC000585112967 357335716 /nfs/dbraw/zinc/33/57/16/357335716.db2.gz XFIAHOFDWDWWAJ-HNNXBMFYSA-N 1 2 318.808 2.230 40 0 DEABLO Cc1cccc(OC[C@@]2(O)CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000585273703 357340900 /nfs/dbraw/zinc/34/09/00/357340900.db2.gz DJODREYQPDMBTG-QGZVFWFLSA-N 1 2 301.390 2.124 40 0 DEABLO Cc1cccc(OC[C@@]2(O)CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000585273703 357340907 /nfs/dbraw/zinc/34/09/07/357340907.db2.gz DJODREYQPDMBTG-QGZVFWFLSA-N 1 2 301.390 2.124 40 0 DEABLO CO[C@]1(COc2ccccc2C)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274908 357342636 /nfs/dbraw/zinc/34/26/36/357342636.db2.gz REGJVAYYWXUNPJ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2ccccc2C)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274908 357342638 /nfs/dbraw/zinc/34/26/38/357342638.db2.gz REGJVAYYWXUNPJ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO Clc1ccc(OCCc2cc([C@@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000257306343 203032928 /nfs/dbraw/zinc/03/29/28/203032928.db2.gz STXBUBRRGVGLDH-HNNXBMFYSA-N 1 2 307.781 2.346 40 0 DEABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)cc[nH+]1 ZINC000257285139 203011538 /nfs/dbraw/zinc/01/15/38/203011538.db2.gz PFVAPMCLGXQGSD-CQSZACIVSA-N 1 2 311.389 2.242 40 0 DEABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)OCCO2 ZINC000013679608 401802712 /nfs/dbraw/zinc/80/27/12/401802712.db2.gz GLUGXCUFUWKAJR-UHFFFAOYSA-N 1 2 318.402 2.031 40 0 DEABLO COc1ccc([C@@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)cc1 ZINC000012114919 401779436 /nfs/dbraw/zinc/77/94/36/401779436.db2.gz IVZAOLLWUSIKFR-MRXNPFEDSA-N 1 2 322.368 2.343 40 0 DEABLO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622895 401900102 /nfs/dbraw/zinc/90/01/02/401900102.db2.gz PKPMAWHLBJUYDN-CMPLNLGQSA-N 1 2 302.296 2.112 40 0 DEABLO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622895 401900104 /nfs/dbraw/zinc/90/01/04/401900104.db2.gz PKPMAWHLBJUYDN-CMPLNLGQSA-N 1 2 302.296 2.112 40 0 DEABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)n1 ZINC000096046193 402050187 /nfs/dbraw/zinc/05/01/87/402050187.db2.gz SALAZZLUYVJLSJ-YNEHKIRRSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)n1 ZINC000096046193 402050189 /nfs/dbraw/zinc/05/01/89/402050189.db2.gz SALAZZLUYVJLSJ-YNEHKIRRSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)o1 ZINC000096056690 402052803 /nfs/dbraw/zinc/05/28/03/402052803.db2.gz YZUVVODGTASLBZ-NUEKZKHPSA-N 1 2 306.406 2.092 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)o1 ZINC000096056690 402052807 /nfs/dbraw/zinc/05/28/07/402052807.db2.gz YZUVVODGTASLBZ-NUEKZKHPSA-N 1 2 306.406 2.092 40 0 DEABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H](COCC3CC3)C2)n1 ZINC000096066848 402055578 /nfs/dbraw/zinc/05/55/78/402055578.db2.gz KEJUVKJWCKDFNO-AWEZNQCLSA-N 1 2 318.446 2.398 40 0 DEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc(C)o2)C1 ZINC000096208135 402069540 /nfs/dbraw/zinc/06/95/40/402069540.db2.gz KPYDDVWDIUWJHI-ZDUSSCGKSA-N 1 2 303.362 2.093 40 0 DEABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@@H+]([C@H]1CCOC1)CC2 ZINC000096254194 402074725 /nfs/dbraw/zinc/07/47/25/402074725.db2.gz WSNMKQCMZYUFPM-ZDUSSCGKSA-N 1 2 317.437 2.018 40 0 DEABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@H+]([C@H]1CCOC1)CC2 ZINC000096254194 402074727 /nfs/dbraw/zinc/07/47/27/402074727.db2.gz WSNMKQCMZYUFPM-ZDUSSCGKSA-N 1 2 317.437 2.018 40 0 DEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccsc2)C1 ZINC000096187813 402065982 /nfs/dbraw/zinc/06/59/82/402065982.db2.gz GFKNJWFNALDSNB-AWEZNQCLSA-N 1 2 319.430 2.182 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248050550 402581551 /nfs/dbraw/zinc/58/15/51/402581551.db2.gz QYZFJBFMXZMWJD-ZDUSSCGKSA-N 1 2 318.446 2.106 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248050550 402581553 /nfs/dbraw/zinc/58/15/53/402581553.db2.gz QYZFJBFMXZMWJD-ZDUSSCGKSA-N 1 2 318.446 2.106 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cccnc3)CC[N@@H+]2C)cc1 ZINC000257223784 402705065 /nfs/dbraw/zinc/70/50/65/402705065.db2.gz DYVIMIPUOSFJBY-KRWDZBQOSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cccnc3)CC[N@H+]2C)cc1 ZINC000257223784 402705069 /nfs/dbraw/zinc/70/50/69/402705069.db2.gz DYVIMIPUOSFJBY-KRWDZBQOSA-N 1 2 311.385 2.219 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3nc(C)cn3C)C2)c[nH+]1 ZINC000257228041 402705577 /nfs/dbraw/zinc/70/55/77/402705577.db2.gz FSAWZQCSGLXBNJ-OAHLLOKOSA-N 1 2 317.437 2.368 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3nc(C)cn3C)C2)[nH+]1 ZINC000257228041 402705580 /nfs/dbraw/zinc/70/55/80/402705580.db2.gz FSAWZQCSGLXBNJ-OAHLLOKOSA-N 1 2 317.437 2.368 40 0 DEABLO Cc1nc(N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)cc[nH+]1 ZINC000257253903 402708806 /nfs/dbraw/zinc/70/88/06/402708806.db2.gz KATGYWFZSSKHOT-NSHDSACASA-N 1 2 309.377 2.023 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257258555 402709750 /nfs/dbraw/zinc/70/97/50/402709750.db2.gz KUNSQCKWUAFADF-AWEZNQCLSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257261305 402709872 /nfs/dbraw/zinc/70/98/72/402709872.db2.gz LGQQIZJNWLXPJO-AWEZNQCLSA-N 1 2 301.394 2.019 40 0 DEABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1C ZINC000261364544 402713253 /nfs/dbraw/zinc/71/32/53/402713253.db2.gz LZYLXNVODYRLTP-SECBINFHSA-O 1 2 317.394 2.134 40 0 DEABLO CCCn1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)n1 ZINC000256054335 402700043 /nfs/dbraw/zinc/70/00/43/402700043.db2.gz VXJGTYISTUXJJR-UHFFFAOYSA-N 1 2 301.316 2.335 40 0 DEABLO CC(C)Nc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000328967534 404183696 /nfs/dbraw/zinc/18/36/96/404183696.db2.gz CUOUDJXKWYZLHP-UHFFFAOYSA-N 1 2 309.373 2.408 40 0 DEABLO C[C@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000328982760 404190501 /nfs/dbraw/zinc/19/05/01/404190501.db2.gz HBPUZLGPTILUJF-LLVKDONJSA-N 1 2 318.808 2.485 40 0 DEABLO C[C@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000328982760 404190515 /nfs/dbraw/zinc/19/05/15/404190515.db2.gz HBPUZLGPTILUJF-LLVKDONJSA-N 1 2 318.808 2.485 40 0 DEABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c1 ZINC000328989703 404192156 /nfs/dbraw/zinc/19/21/56/404192156.db2.gz ILPYQFFOGLGQPZ-UHFFFAOYSA-N 1 2 312.417 2.353 40 0 DEABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329006386 404196893 /nfs/dbraw/zinc/19/68/93/404196893.db2.gz LDWTWKDLGQKOII-CYBMUJFWSA-N 1 2 312.417 2.351 40 0 DEABLO OCCCNc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329006319 404197224 /nfs/dbraw/zinc/19/72/24/404197224.db2.gz LCZGCBOVSSOODI-UHFFFAOYSA-N 1 2 320.343 2.014 40 0 DEABLO CCNc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329029742 404207874 /nfs/dbraw/zinc/20/78/74/404207874.db2.gz QAQZHYCEHCBXKW-UHFFFAOYSA-N 1 2 305.385 2.426 40 0 DEABLO Cn1cc[nH+]c1CNC(=O)c1cc2cc(Cl)ccc2n1C ZINC000644149387 407096055 /nfs/dbraw/zinc/09/60/55/407096055.db2.gz IJZHBWJIWHHXKM-UHFFFAOYSA-N 1 2 302.765 2.495 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH+]1 ZINC000257201274 424889103 /nfs/dbraw/zinc/88/91/03/424889103.db2.gz AGZQONWEFJHEEQ-OAHLLOKOSA-N 1 2 322.372 2.481 40 0 DEABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328997261 424902718 /nfs/dbraw/zinc/90/27/18/424902718.db2.gz JNGZBHGCSCVLAQ-HNNXBMFYSA-N 1 2 315.421 2.788 40 0 DEABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1 ZINC000328978361 424902851 /nfs/dbraw/zinc/90/28/51/424902851.db2.gz FYDOKFBGFLLLIS-UHFFFAOYSA-N 1 2 314.389 2.901 40 0 DEABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c1C ZINC000328956526 231398984 /nfs/dbraw/zinc/39/89/84/231398984.db2.gz AGSLNRZRWPPICV-UHFFFAOYSA-N 1 2 312.417 2.353 40 0 DEABLO CC(=O)N1CCC[C@@H](c2cccc(NCC3(C)COC3)[nH+]2)C1 ZINC000072365515 191134652 /nfs/dbraw/zinc/13/46/52/191134652.db2.gz PZKVOAZGNQLOKK-CQSZACIVSA-N 1 2 303.406 2.256 40 0 DEABLO Cc1nc(NCc2ccc(F)cc2)cc([C@H]2COCC[NH2+]2)n1 ZINC000072366358 191135704 /nfs/dbraw/zinc/13/57/04/191135704.db2.gz HFCXMDUQYVPHHI-OAHLLOKOSA-N 1 2 302.353 2.197 40 0 DEABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072383612 191144495 /nfs/dbraw/zinc/14/44/95/191144495.db2.gz BRPONZKPWHGWDA-CYBMUJFWSA-N 1 2 316.336 2.030 40 0 DEABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072383612 191144497 /nfs/dbraw/zinc/14/44/97/191144497.db2.gz BRPONZKPWHGWDA-CYBMUJFWSA-N 1 2 316.336 2.030 40 0 DEABLO O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000003955965 181058571 /nfs/dbraw/zinc/05/85/71/181058571.db2.gz JFJFGMBXYHJFBJ-SFHVURJKSA-N 1 2 323.400 2.004 40 0 DEABLO Cc1cc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)on1 ZINC000141662898 355891381 /nfs/dbraw/zinc/89/13/81/355891381.db2.gz QGHLURLLYNBFGL-UHFFFAOYSA-N 1 2 320.418 2.072 40 0 DEABLO OC[C@H]1CCn2c[nH+]cc2CN1Cc1ccc(Cl)c(F)c1 ZINC000585098624 357333416 /nfs/dbraw/zinc/33/34/16/357333416.db2.gz ZSUITLAEGSIUTH-GFCCVEGCSA-N 1 2 309.772 2.442 40 0 DEABLO Cc1[nH+]c([C@H]2CCN(C(=O)c3cnccn3)C2)c2sccn12 ZINC000257307210 203032937 /nfs/dbraw/zinc/03/29/37/203032937.db2.gz SXQYAMSKJUQZPL-NSHDSACASA-N 1 2 313.386 2.124 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257283444 203009422 /nfs/dbraw/zinc/00/94/22/203009422.db2.gz OYIZUFXFMBYTJA-CYBMUJFWSA-N 1 2 313.357 2.087 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257321713 203045385 /nfs/dbraw/zinc/04/53/85/203045385.db2.gz WCWKGRNCGORIRT-SNVBAGLBSA-N 1 2 308.769 2.308 40 0 DEABLO COc1ccccc1[C@H]1CN(Cc2ccnc(C)n2)CC[N@@H+]1C ZINC000257335468 203058902 /nfs/dbraw/zinc/05/89/02/203058902.db2.gz YKGHLTJHQWFFQK-QGZVFWFLSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@H]1CN(Cc2ccnc(C)n2)CC[N@H+]1C ZINC000257335468 203058906 /nfs/dbraw/zinc/05/89/06/203058906.db2.gz YKGHLTJHQWFFQK-QGZVFWFLSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@H]1C[N@H+](Cc2ccnc(C)n2)CCN1C ZINC000257335468 203058911 /nfs/dbraw/zinc/05/89/11/203058911.db2.gz YKGHLTJHQWFFQK-QGZVFWFLSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@H]1C[N@@H+](Cc2ccnc(C)n2)CCN1C ZINC000257335468 203058914 /nfs/dbraw/zinc/05/89/14/203058914.db2.gz YKGHLTJHQWFFQK-QGZVFWFLSA-N 1 2 312.417 2.282 40 0 DEABLO CCc1ccccc1O[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020050285 182183977 /nfs/dbraw/zinc/18/39/77/182183977.db2.gz PGIXMLCNKXAIEB-AWEZNQCLSA-N 1 2 301.390 2.419 40 0 DEABLO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1NCCO ZINC000064874627 184305735 /nfs/dbraw/zinc/30/57/35/184305735.db2.gz LKBFREUFRYIZJX-UHFFFAOYSA-N 1 2 324.764 2.478 40 0 DEABLO COc1ccccc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130394974 401829796 /nfs/dbraw/zinc/82/97/96/401829796.db2.gz ZOQILYFXIJOCIL-CQSZACIVSA-N 1 2 311.385 2.489 40 0 DEABLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)O2)n1 ZINC000096040879 402048695 /nfs/dbraw/zinc/04/86/95/402048695.db2.gz WPWMOVOUQVDDES-UTUOFQBUSA-N 1 2 306.391 2.329 40 0 DEABLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)O2)n1 ZINC000096040879 402048697 /nfs/dbraw/zinc/04/86/97/402048697.db2.gz WPWMOVOUQVDDES-UTUOFQBUSA-N 1 2 306.391 2.329 40 0 DEABLO CCOC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2[nH+]cn(C)c21 ZINC000096044836 402049986 /nfs/dbraw/zinc/04/99/86/402049986.db2.gz CJXBAXSFOBCVRJ-ZDUSSCGKSA-N 1 2 316.405 2.141 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)no1 ZINC000096046138 402050297 /nfs/dbraw/zinc/05/02/97/402050297.db2.gz OXAKLANVCJIESQ-APHBMKBZSA-N 1 2 300.362 2.125 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)no1 ZINC000096046138 402050298 /nfs/dbraw/zinc/05/02/98/402050298.db2.gz OXAKLANVCJIESQ-APHBMKBZSA-N 1 2 300.362 2.125 40 0 DEABLO C[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC000096045427 402050575 /nfs/dbraw/zinc/05/05/75/402050575.db2.gz ZGFNRMUKTXTLHG-QGZVFWFLSA-N 1 2 312.417 2.434 40 0 DEABLO C[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC000096045427 402050576 /nfs/dbraw/zinc/05/05/76/402050576.db2.gz ZGFNRMUKTXTLHG-QGZVFWFLSA-N 1 2 312.417 2.434 40 0 DEABLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049126 402051038 /nfs/dbraw/zinc/05/10/38/402051038.db2.gz XGIHGEATJPTVLU-QGZVFWFLSA-N 1 2 306.406 2.129 40 0 DEABLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049126 402051042 /nfs/dbraw/zinc/05/10/42/402051042.db2.gz XGIHGEATJPTVLU-QGZVFWFLSA-N 1 2 306.406 2.129 40 0 DEABLO c1csc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC000096055836 402052728 /nfs/dbraw/zinc/05/27/28/402052728.db2.gz MROGATFNZWLECE-LSDHHAIUSA-N 1 2 300.431 2.387 40 0 DEABLO c1csc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC000096055836 402052731 /nfs/dbraw/zinc/05/27/31/402052731.db2.gz MROGATFNZWLECE-LSDHHAIUSA-N 1 2 300.431 2.387 40 0 DEABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccncc1)C2 ZINC000096060246 402054339 /nfs/dbraw/zinc/05/43/39/402054339.db2.gz MGEKSRFGFALTIG-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096060246 402054342 /nfs/dbraw/zinc/05/43/42/402054342.db2.gz MGEKSRFGFALTIG-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO O=C(c1[nH]nc2c1C[N@H+](Cc1cccs1)CC2)N1CC=CC1 ZINC000096066594 402055853 /nfs/dbraw/zinc/05/58/53/402055853.db2.gz DYZVKMUAWHOSAF-UHFFFAOYSA-N 1 2 314.414 2.042 40 0 DEABLO O=C(c1[nH]nc2c1C[N@@H+](Cc1cccs1)CC2)N1CC=CC1 ZINC000096066594 402055855 /nfs/dbraw/zinc/05/58/55/402055855.db2.gz DYZVKMUAWHOSAF-UHFFFAOYSA-N 1 2 314.414 2.042 40 0 DEABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096206766 402069786 /nfs/dbraw/zinc/06/97/86/402069786.db2.gz PSEFJMIOKMEYFK-IHVVCDCBSA-N 1 2 317.414 2.263 40 0 DEABLO O=C1[C@H]2CN(c3cccc[nH+]3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096245304 402074202 /nfs/dbraw/zinc/07/42/02/402074202.db2.gz XSPDJUCMHRLMGN-HOCLYGCPSA-N 1 2 311.360 2.316 40 0 DEABLO CC(C)[N@@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185160 402064951 /nfs/dbraw/zinc/06/49/51/402064951.db2.gz CAXVTDKKZCOCMI-BBRMVZONSA-N 1 2 323.462 2.150 40 0 DEABLO CC(C)[N@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185160 402064954 /nfs/dbraw/zinc/06/49/54/402064954.db2.gz CAXVTDKKZCOCMI-BBRMVZONSA-N 1 2 323.462 2.150 40 0 DEABLO CC(C)[NH+]1C[C@@H]2C[N@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185160 402064955 /nfs/dbraw/zinc/06/49/55/402064955.db2.gz CAXVTDKKZCOCMI-BBRMVZONSA-N 1 2 323.462 2.150 40 0 DEABLO CC(C)[NH+]1C[C@@H]2C[N@@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185160 402064957 /nfs/dbraw/zinc/06/49/57/402064957.db2.gz CAXVTDKKZCOCMI-BBRMVZONSA-N 1 2 323.462 2.150 40 0 DEABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1cccnc1 ZINC000096201252 402068189 /nfs/dbraw/zinc/06/81/89/402068189.db2.gz RMXGYSPCWXUCRF-CQSZACIVSA-N 1 2 308.389 2.100 40 0 DEABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096201252 402068191 /nfs/dbraw/zinc/06/81/91/402068191.db2.gz RMXGYSPCWXUCRF-CQSZACIVSA-N 1 2 308.389 2.100 40 0 DEABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CNC(=O)c2ccsc2)C1 ZINC000248030155 402580617 /nfs/dbraw/zinc/58/06/17/402580617.db2.gz XIYZHPBDXQSLGP-AWEZNQCLSA-N 1 2 304.419 2.140 40 0 DEABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CNC(=O)c2ccsc2)C1 ZINC000248030155 402580620 /nfs/dbraw/zinc/58/06/20/402580620.db2.gz XIYZHPBDXQSLGP-AWEZNQCLSA-N 1 2 304.419 2.140 40 0 DEABLO c1cncc(O[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)c1 ZINC000247858778 402576936 /nfs/dbraw/zinc/57/69/36/402576936.db2.gz YWIGSGISSSVHFD-INIZCTEOSA-N 1 2 311.385 2.289 40 0 DEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1cc[nH]n1 ZINC000257222781 402704806 /nfs/dbraw/zinc/70/48/06/402704806.db2.gz DURKNKFUHXIMDT-OAHLLOKOSA-N 1 2 309.373 2.372 40 0 DEABLO COc1ccc(OCC(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257231567 402706079 /nfs/dbraw/zinc/70/60/79/402706079.db2.gz GHGSCVZZGRYNMJ-CYBMUJFWSA-N 1 2 315.373 2.122 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257261306 402709859 /nfs/dbraw/zinc/70/98/59/402709859.db2.gz LGQQIZJNWLXPJO-CQSZACIVSA-N 1 2 301.394 2.019 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257268932 402710912 /nfs/dbraw/zinc/71/09/12/402710912.db2.gz MNVXWZASIWKGAF-GFCCVEGCSA-N 1 2 304.419 2.432 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257208919 402703118 /nfs/dbraw/zinc/70/31/18/402703118.db2.gz BOBQFYCRRWURNV-CYBMUJFWSA-N 1 2 305.403 2.286 40 0 DEABLO OCCCNc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000329029166 404206965 /nfs/dbraw/zinc/20/69/65/404206965.db2.gz PXSXNYXHQVHWOG-UHFFFAOYSA-N 1 2 318.808 2.487 40 0 DEABLO OCCCNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000329029166 404206967 /nfs/dbraw/zinc/20/69/67/404206967.db2.gz PXSXNYXHQVHWOG-UHFFFAOYSA-N 1 2 318.808 2.487 40 0 DEABLO c1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc2c1OCO2 ZINC000329031385 404207007 /nfs/dbraw/zinc/20/70/07/404207007.db2.gz QJEHJXNFQROYFK-UHFFFAOYSA-N 1 2 310.357 2.244 40 0 DEABLO COc1ccc(C[N@@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)cc1 ZINC000585093334 405866243 /nfs/dbraw/zinc/86/62/43/405866243.db2.gz PQOVJAFPVYRTOH-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO COc1ccc(C[N@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)cc1 ZINC000585093334 405866250 /nfs/dbraw/zinc/86/62/50/405866250.db2.gz PQOVJAFPVYRTOH-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO COc1cccc(C[N@@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093147 405866421 /nfs/dbraw/zinc/86/64/21/405866421.db2.gz FEQGYFUDKQMGNO-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO COc1cccc(C[N@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093147 405866429 /nfs/dbraw/zinc/86/64/29/405866429.db2.gz FEQGYFUDKQMGNO-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO Cc1cncc(O[C@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000253601039 281659350 /nfs/dbraw/zinc/65/93/50/281659350.db2.gz HSHVENSGZZIDDR-AWEZNQCLSA-N 1 2 315.373 2.190 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2nccc3ccccc32)[nH+]1 ZINC000257242924 301025283 /nfs/dbraw/zinc/02/52/83/301025283.db2.gz IESWKLNVBPDRIK-OAHLLOKOSA-N 1 2 322.368 2.480 40 0 DEABLO COc1cc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc(OC)c1OC ZINC000095534708 185379234 /nfs/dbraw/zinc/37/92/34/185379234.db2.gz XTJOIVYRTHGUNU-LBPRGKRZSA-N 1 2 306.366 2.153 40 0 DEABLO CNc1nc(NCc2ccc(C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329014354 529833286 /nfs/dbraw/zinc/83/32/86/529833286.db2.gz MUZYHWATYXBQME-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072383062 191141930 /nfs/dbraw/zinc/14/19/30/191141930.db2.gz XIUJIBLKWHYCLH-AWEZNQCLSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072383062 191141932 /nfs/dbraw/zinc/14/19/32/191141932.db2.gz XIUJIBLKWHYCLH-AWEZNQCLSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cc(C(=O)N2CCC(C)CC2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072387019 191145092 /nfs/dbraw/zinc/14/50/92/191145092.db2.gz RJVJLRBWXVWTKX-OAHLLOKOSA-N 1 2 302.422 2.424 40 0 DEABLO Cc1cc(C(=O)N2CCC(C)CC2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072387019 191145095 /nfs/dbraw/zinc/14/50/95/191145095.db2.gz RJVJLRBWXVWTKX-OAHLLOKOSA-N 1 2 302.422 2.424 40 0 DEABLO CC(C)NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000072389597 191148512 /nfs/dbraw/zinc/14/85/12/191148512.db2.gz YJJCDTJIZMCVJT-CYBMUJFWSA-N 1 2 300.406 2.314 40 0 DEABLO c1cc2n(c1)C[C@H](Oc1ncccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000585111511 357334901 /nfs/dbraw/zinc/33/49/01/357334901.db2.gz CJASJJPAOAIDRX-QGZVFWFLSA-N 1 2 321.384 2.137 40 0 DEABLO c1cc2n(c1)C[C@H](Oc1ncccn1)C[N@H+](Cc1ccccn1)C2 ZINC000585111511 357334906 /nfs/dbraw/zinc/33/49/06/357334906.db2.gz CJASJJPAOAIDRX-QGZVFWFLSA-N 1 2 321.384 2.137 40 0 DEABLO O=S(=O)(NCCc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC000006161461 181317255 /nfs/dbraw/zinc/31/72/55/181317255.db2.gz BNPIVLDNPJIRGR-UHFFFAOYSA-N 1 2 301.371 2.084 40 0 DEABLO O=S(=O)(NCCc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC000006161461 181317256 /nfs/dbraw/zinc/31/72/56/181317256.db2.gz BNPIVLDNPJIRGR-UHFFFAOYSA-N 1 2 301.371 2.084 40 0 DEABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[NH+]1CCOCC1 ZINC000006263559 181324261 /nfs/dbraw/zinc/32/42/61/181324261.db2.gz PUEFZZSHNBASLG-AWEZNQCLSA-N 1 2 307.781 2.011 40 0 DEABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccnc(C)n3)C2)cs1 ZINC000257299296 203022316 /nfs/dbraw/zinc/02/23/16/203022316.db2.gz RPLXHJRDWWPBIJ-AWEZNQCLSA-N 1 2 318.446 2.241 40 0 DEABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccnc(C)n3)C2)cs1 ZINC000257299296 203022319 /nfs/dbraw/zinc/02/23/19/203022319.db2.gz RPLXHJRDWWPBIJ-AWEZNQCLSA-N 1 2 318.446 2.241 40 0 DEABLO Cc1cc(N2CCC[C@@H]2c2cncc(-c3ncc[nH]3)n2)nc[nH+]1 ZINC000257297904 203022709 /nfs/dbraw/zinc/02/27/09/203022709.db2.gz RJHNYANZRVUSIU-CQSZACIVSA-N 1 2 307.361 2.307 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[nH+]1 ZINC000257305526 203028994 /nfs/dbraw/zinc/02/89/94/203028994.db2.gz SQKRQFAZEYUWEE-CYBMUJFWSA-N 1 2 309.366 2.383 40 0 DEABLO COc1ccc(OCC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257289522 203015271 /nfs/dbraw/zinc/01/52/71/203015271.db2.gz PYZQWMBWTQJNGV-OAHLLOKOSA-N 1 2 315.373 2.469 40 0 DEABLO C[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225566 257123387 /nfs/dbraw/zinc/12/33/87/257123387.db2.gz XUUQPKJBSAHUDJ-GFCCVEGCSA-N 1 2 307.394 2.192 40 0 DEABLO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072219374 257123918 /nfs/dbraw/zinc/12/39/18/257123918.db2.gz JXYHCAYYVAIWQO-INIZCTEOSA-N 1 2 303.406 2.300 40 0 DEABLO COC(=O)c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000013556334 401800693 /nfs/dbraw/zinc/80/06/93/401800693.db2.gz HXTUIQQJNPPULL-UHFFFAOYSA-N 1 2 318.402 2.046 40 0 DEABLO Cc1nc2c(c(N3CCOCC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183209 401781158 /nfs/dbraw/zinc/78/11/58/401781158.db2.gz BBOWCILZBFUFJU-UHFFFAOYSA-N 1 2 324.428 2.180 40 0 DEABLO Cc1nc2c(c(N3CCOCC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183209 401781160 /nfs/dbraw/zinc/78/11/60/401781160.db2.gz BBOWCILZBFUFJU-UHFFFAOYSA-N 1 2 324.428 2.180 40 0 DEABLO COc1ccccc1[C@@H](NC(=O)c1ccncc1)c1[nH+]ccn1C ZINC000012221724 401781868 /nfs/dbraw/zinc/78/18/68/401781868.db2.gz NNBAPEWPFRTBEY-MRXNPFEDSA-N 1 2 322.368 2.343 40 0 DEABLO CC(C)(C)OC(=O)N1CCN(c2cccc3[nH+]ccn32)CC1 ZINC000036220540 401903884 /nfs/dbraw/zinc/90/38/84/401903884.db2.gz OANYJDSVDHTBDP-UHFFFAOYSA-N 1 2 302.378 2.391 40 0 DEABLO Fc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)nc1 ZINC000049155421 402013187 /nfs/dbraw/zinc/01/31/87/402013187.db2.gz DDUKZDQQVSGCCT-LBPRGKRZSA-N 1 2 314.324 2.331 40 0 biogenic,in-vitro DEABLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1nccs1)C2 ZINC000096058510 402053892 /nfs/dbraw/zinc/05/38/92/402053892.db2.gz TXKOMMZILYQDSJ-RYUDHWBXSA-N 1 2 303.387 2.083 40 0 DEABLO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nccs1)C2 ZINC000096058510 402053894 /nfs/dbraw/zinc/05/38/94/402053894.db2.gz TXKOMMZILYQDSJ-RYUDHWBXSA-N 1 2 303.387 2.083 40 0 DEABLO CCn1cc2c(n1)C[N@@H+](Cc1scnc1C)C[C@@H]2COC ZINC000096068687 402056508 /nfs/dbraw/zinc/05/65/08/402056508.db2.gz KNVVPIBOWBYBGL-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1cc2c(n1)C[N@H+](Cc1scnc1C)C[C@@H]2COC ZINC000096068687 402056509 /nfs/dbraw/zinc/05/65/09/402056509.db2.gz KNVVPIBOWBYBGL-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO c1csc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096209433 402070262 /nfs/dbraw/zinc/07/02/62/402070262.db2.gz WOLOYFHMIWZTCD-HOCLYGCPSA-N 1 2 317.414 2.351 40 0 DEABLO c1csc(C[N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096209433 402070265 /nfs/dbraw/zinc/07/02/65/402070265.db2.gz WOLOYFHMIWZTCD-HOCLYGCPSA-N 1 2 317.414 2.351 40 0 DEABLO Oc1cccc(C[NH+]2CCN(C(=S)NC3CCCC3)CC2)c1 ZINC000225221276 402316036 /nfs/dbraw/zinc/31/60/36/402316036.db2.gz UMKKSONCGDAXGC-UHFFFAOYSA-N 1 2 319.474 2.327 40 0 DEABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)cc[nH+]1 ZINC000257218647 402704590 /nfs/dbraw/zinc/70/45/90/402704590.db2.gz DDYVLQYZDFOKEI-HNNXBMFYSA-N 1 2 313.405 2.153 40 0 DEABLO CNc1cccc([C@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257230420 402706424 /nfs/dbraw/zinc/70/64/24/402706424.db2.gz GCGBZSIDCWJFRE-CYBMUJFWSA-N 1 2 304.419 2.462 40 0 DEABLO CNc1cccc([C@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257230420 402706425 /nfs/dbraw/zinc/70/64/25/402706425.db2.gz GCGBZSIDCWJFRE-CYBMUJFWSA-N 1 2 304.419 2.462 40 0 DEABLO Cc1ncncc1C(=O)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257233959 402706656 /nfs/dbraw/zinc/70/66/56/402706656.db2.gz GRNAKIKJGWPREM-AWEZNQCLSA-N 1 2 321.384 2.453 40 0 DEABLO CCn1nc(C)c(CN2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257243493 402707490 /nfs/dbraw/zinc/70/74/90/402707490.db2.gz IHGRJGARYOGCGO-HNNXBMFYSA-N 1 2 303.410 2.125 40 0 DEABLO CCn1nc(C)c(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c1F ZINC000256051931 402699849 /nfs/dbraw/zinc/69/98/49/402699849.db2.gz LDEDAJXTIYQFBS-UHFFFAOYSA-N 1 2 319.306 2.399 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000329070582 404219703 /nfs/dbraw/zinc/21/97/03/404219703.db2.gz ZHXRDBKLECTWMC-SECBINFHSA-N 1 2 320.343 2.012 40 0 DEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c(Cl)c1 ZINC000328964912 404184249 /nfs/dbraw/zinc/18/42/49/404184249.db2.gz BYCOMTIOGPOXJF-UHFFFAOYSA-N 1 2 318.808 2.307 40 0 DEABLO CNc1nc(NCc2cccc(OC)c2)cc(-c2cccnc2)[nH+]1 ZINC000328980783 404188640 /nfs/dbraw/zinc/18/86/40/404188640.db2.gz GPCRSUMUYGSZHT-UHFFFAOYSA-N 1 2 321.384 2.045 40 0 DEABLO O=C(COc1ccc2c(c1)CCCC2)NCCCn1cc[nH+]c1 ZINC000132887923 196293313 /nfs/dbraw/zinc/29/33/13/196293313.db2.gz PCCXJQCFTFZQER-UHFFFAOYSA-N 1 2 313.401 2.347 40 0 DEABLO COc1ccccc1C[N@@H+]1CCOC[C@H]1CCc1cnccn1 ZINC000257200362 424888817 /nfs/dbraw/zinc/88/88/17/424888817.db2.gz ACYSNKORDBOIFI-QGZVFWFLSA-N 1 2 313.401 2.319 40 0 DEABLO COc1ccccc1C[N@H+]1CCOC[C@H]1CCc1cnccn1 ZINC000257200362 424888818 /nfs/dbraw/zinc/88/88/18/424888818.db2.gz ACYSNKORDBOIFI-QGZVFWFLSA-N 1 2 313.401 2.319 40 0 DEABLO Cc1cc(NC[C@@H]2CC23CCOCC3)nc(-c2cccnc2)[nH+]1 ZINC000579307749 424962630 /nfs/dbraw/zinc/96/26/30/424962630.db2.gz UCANDTYXTVUMEA-HNNXBMFYSA-N 1 2 310.401 3.076 40 0 DEABLO Cc1cc(NC[C@H]2CC23CCOCC3)nc(-c2cccnc2)[nH+]1 ZINC000579307750 424962745 /nfs/dbraw/zinc/96/27/45/424962745.db2.gz UCANDTYXTVUMEA-OAHLLOKOSA-N 1 2 310.401 3.076 40 0 DEABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(C(C)(C)C)c[nH]1 ZINC000072322154 191121719 /nfs/dbraw/zinc/12/17/19/191121719.db2.gz PWCPJPRMLLMNEN-LBPRGKRZSA-N 1 2 303.410 2.014 40 0 biogenic,in-vitro DEABLO CC(=O)N1CCC[C@H](c2cccc(NCC3(C)COC3)[nH+]2)C1 ZINC000072365514 191134395 /nfs/dbraw/zinc/13/43/95/191134395.db2.gz PZKVOAZGNQLOKK-AWEZNQCLSA-N 1 2 303.406 2.256 40 0 DEABLO Cc1nc([C@@H]2C[N@H+](C)CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387681 191146539 /nfs/dbraw/zinc/14/65/39/191146539.db2.gz NOHHBDDIONQGHE-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1nc([C@@H]2C[N@@H+](C)CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387681 191146543 /nfs/dbraw/zinc/14/65/43/191146543.db2.gz NOHHBDDIONQGHE-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000004908554 181171664 /nfs/dbraw/zinc/17/16/64/181171664.db2.gz AUVYOEKWTILOQW-UHFFFAOYSA-N 1 2 317.433 2.252 40 0 DEABLO CC(C)c1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000138909000 355873963 /nfs/dbraw/zinc/87/39/63/355873963.db2.gz FTNFZRYMIMXYDD-CHWSQXEVSA-N 1 2 310.444 2.464 40 0 DEABLO CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257300481 203025556 /nfs/dbraw/zinc/02/55/56/203025556.db2.gz RUMKICXZMAKSPU-GFCCVEGCSA-N 1 2 302.378 2.299 40 0 DEABLO Cn1c[nH+]cc1-c1cccc(C[C@@H]2CCN(c3ncccn3)C2)n1 ZINC000257293466 203019673 /nfs/dbraw/zinc/01/96/73/203019673.db2.gz QPNMZSFIHPMNHB-AWEZNQCLSA-N 1 2 320.400 2.341 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)[nH+]1 ZINC000257331795 203055185 /nfs/dbraw/zinc/05/51/85/203055185.db2.gz XUHFZYUQBFHICL-AWEZNQCLSA-N 1 2 301.394 2.056 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)[nH+]1 ZINC000257335841 203058798 /nfs/dbraw/zinc/05/87/98/203058798.db2.gz YMBWARNLFNHQTC-ZDUSSCGKSA-N 1 2 300.362 2.413 40 0 DEABLO [NH3+]CCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl ZINC000022048397 182306221 /nfs/dbraw/zinc/30/62/21/182306221.db2.gz KFFLFXHSHZOQHH-UHFFFAOYSA-N 1 2 321.764 2.059 40 0 in-vitro DEABLO OCC[N@@H+]1CCO[C@@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495441 257132284 /nfs/dbraw/zinc/13/22/84/257132284.db2.gz QVMUTQCVZLVTOZ-LLVKDONJSA-N 1 2 306.189 2.065 40 0 DEABLO OCC[N@H+]1CCO[C@@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495441 257132286 /nfs/dbraw/zinc/13/22/86/257132286.db2.gz QVMUTQCVZLVTOZ-LLVKDONJSA-N 1 2 306.189 2.065 40 0 DEABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C1 ZINC000332827094 145389179 /nfs/dbraw/zinc/38/91/79/145389179.db2.gz LBTWSEZMUDXPIM-WDEREUQCSA-N 1 2 316.327 2.260 40 0 DEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126730071 401706290 /nfs/dbraw/zinc/70/62/90/401706290.db2.gz WSTZTXNSEZFHQX-KRWDZBQOSA-N 1 2 301.390 2.316 40 0 DEABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126730071 401706293 /nfs/dbraw/zinc/70/62/93/401706293.db2.gz WSTZTXNSEZFHQX-KRWDZBQOSA-N 1 2 301.390 2.316 40 0 DEABLO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000011025556 401773139 /nfs/dbraw/zinc/77/31/39/401773139.db2.gz WLCZBTQXUNFIRA-NSHDSACASA-N 1 2 301.325 2.137 40 0 DEABLO C[C@H]1C[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000036383664 401905043 /nfs/dbraw/zinc/90/50/43/401905043.db2.gz XJDNEVGPHXOOIN-GRDNDAEWSA-N 1 2 302.418 2.289 40 0 DEABLO C[NH+]1CCN(c2c(Cl)cc(N)cc2Br)CC1 ZINC000045885899 401963252 /nfs/dbraw/zinc/96/32/52/401963252.db2.gz PRJDBKRUTKNBGZ-UHFFFAOYSA-N 1 2 304.619 2.437 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096044755 402049493 /nfs/dbraw/zinc/04/94/93/402049493.db2.gz ASXWOIYZHKQYAR-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096044755 402049495 /nfs/dbraw/zinc/04/94/95/402049495.db2.gz ASXWOIYZHKQYAR-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060459 402054747 /nfs/dbraw/zinc/05/47/47/402054747.db2.gz OTXWYDMHKYXNJB-OAHLLOKOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060459 402054750 /nfs/dbraw/zinc/05/47/50/402054750.db2.gz OTXWYDMHKYXNJB-OAHLLOKOSA-N 1 2 312.417 2.434 40 0 DEABLO COCCN1CCN(C(=O)c2ccsc2)Cc2ccc[nH+]c21 ZINC000096060932 402055055 /nfs/dbraw/zinc/05/50/55/402055055.db2.gz VVVNYVBILNYPJO-UHFFFAOYSA-N 1 2 317.414 2.252 40 0 DEABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096084456 402057670 /nfs/dbraw/zinc/05/76/70/402057670.db2.gz FEPNCTVIYZQDMW-UHFFFAOYSA-N 1 2 317.368 2.169 40 0 DEABLO COc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000223372591 402311050 /nfs/dbraw/zinc/31/10/50/402311050.db2.gz XVJXRUIKSBLYGD-UHFFFAOYSA-N 1 2 301.390 2.339 40 0 DEABLO CCc1ccc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1 ZINC000224349815 402314168 /nfs/dbraw/zinc/31/41/68/402314168.db2.gz JUCIQCNDKWBBGP-UHFFFAOYSA-N 1 2 313.405 2.423 40 0 DEABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C)on2)n1 ZINC000257210961 402703934 /nfs/dbraw/zinc/70/39/34/402703934.db2.gz BWWRUMSTGQLZNU-KRWDZBQOSA-N 1 2 314.389 2.351 40 0 DEABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C)on2)n1 ZINC000257210961 402703935 /nfs/dbraw/zinc/70/39/35/402703935.db2.gz BWWRUMSTGQLZNU-KRWDZBQOSA-N 1 2 314.389 2.351 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)[nH+]1 ZINC000257222901 402704789 /nfs/dbraw/zinc/70/47/89/402704789.db2.gz DVBHEGVZHLENAG-OAHLLOKOSA-N 1 2 312.421 2.445 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(CC(C)C)no2)[nH+]1 ZINC000257234890 402707008 /nfs/dbraw/zinc/70/70/08/402707008.db2.gz GVLYSGLPZZQGST-CYBMUJFWSA-N 1 2 318.377 2.118 40 0 DEABLO Cc1ccc(C[C@H]2CC[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@H]23)[nH+]c1 ZINC000257271730 402711321 /nfs/dbraw/zinc/71/13/21/402711321.db2.gz MZOLPRGOVOQYER-IIDMSEBBSA-N 1 2 324.428 2.464 40 0 DEABLO Fc1ccc(OCC[N@@H+]2CCO[C@H](c3cnccn3)C2)cc1 ZINC000257324972 402712111 /nfs/dbraw/zinc/71/21/11/402712111.db2.gz WQZHOPAQSCTNNI-INIZCTEOSA-N 1 2 303.337 2.068 40 0 DEABLO Fc1ccc(OCC[N@H+]2CCO[C@H](c3cnccn3)C2)cc1 ZINC000257324972 402712112 /nfs/dbraw/zinc/71/21/12/402712112.db2.gz WQZHOPAQSCTNNI-INIZCTEOSA-N 1 2 303.337 2.068 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257324872 402712114 /nfs/dbraw/zinc/71/21/14/402712114.db2.gz WQNPOQRQGIIHDT-LBPRGKRZSA-N 1 2 314.389 2.225 40 0 DEABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)c1C ZINC000257206255 402703070 /nfs/dbraw/zinc/70/30/70/402703070.db2.gz BCPVOVXSYDPVOT-HNNXBMFYSA-N 1 2 303.410 2.125 40 0 DEABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)c1C ZINC000257206255 402703073 /nfs/dbraw/zinc/70/30/73/402703073.db2.gz BCPVOVXSYDPVOT-HNNXBMFYSA-N 1 2 303.410 2.125 40 0 DEABLO CC(C)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000328978420 404188831 /nfs/dbraw/zinc/18/88/31/404188831.db2.gz FZCWSXSPMJUVRF-UHFFFAOYSA-N 1 2 320.400 2.210 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257336091 301025493 /nfs/dbraw/zinc/02/54/93/301025493.db2.gz YNCORJWRYSMLHQ-LLVKDONJSA-N 1 2 306.391 2.005 40 0 DEABLO O=C(NCC[C@H]1CCCC[C@H]1O)Nc1ccc2[nH+]ccn2c1 ZINC001548453580 1072647807 /nfs/dbraw/zinc/64/78/07/1072647807.db2.gz DRNSUXMHUSJSPB-TZMCWYRMSA-N 1 2 302.378 2.397 40 0 DEABLO CN1C(=O)N/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000409195218 529774621 /nfs/dbraw/zinc/77/46/21/529774621.db2.gz UJSDGJKOSBWCDB-RVDMUPIBSA-N 1 2 310.357 2.066 40 0 DEABLO O=C(c1ccncc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378410 191140805 /nfs/dbraw/zinc/14/08/05/191140805.db2.gz RZBRGIBOXYHEGM-HNNXBMFYSA-N 1 2 320.356 2.035 40 0 DEABLO c1cc2n(c1)C[C@@H](Oc1ncccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000585112512 357335498 /nfs/dbraw/zinc/33/54/98/357335498.db2.gz QMARTCMVGBXSRG-KRWDZBQOSA-N 1 2 321.384 2.137 40 0 DEABLO c1cc2n(c1)C[C@@H](Oc1ncccn1)C[N@H+](Cc1cccnc1)C2 ZINC000585112512 357335503 /nfs/dbraw/zinc/33/55/03/357335503.db2.gz QMARTCMVGBXSRG-KRWDZBQOSA-N 1 2 321.384 2.137 40 0 DEABLO C[C@@H](CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000180310733 199143635 /nfs/dbraw/zinc/14/36/35/199143635.db2.gz WYWRSQFEKYSKCP-JONQDZQNSA-N 1 2 304.434 2.404 40 0 DEABLO C[C@@H](CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000180310733 199143637 /nfs/dbraw/zinc/14/36/37/199143637.db2.gz WYWRSQFEKYSKCP-JONQDZQNSA-N 1 2 304.434 2.404 40 0 DEABLO COCC(=O)N1CCC[C@@H](c2[nH+]c(C)n3c(C)csc23)C1 ZINC000019240424 182111506 /nfs/dbraw/zinc/11/15/06/182111506.db2.gz VREFLWFXNIHJEU-GFCCVEGCSA-N 1 2 307.419 2.365 40 0 DEABLO COCC(=O)N1CCC[C@H](c2[nH+]c(C)n3c(C)csc23)C1 ZINC000019240425 182111980 /nfs/dbraw/zinc/11/19/80/182111980.db2.gz VREFLWFXNIHJEU-LBPRGKRZSA-N 1 2 307.419 2.365 40 0 DEABLO CCCC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019501622 182125864 /nfs/dbraw/zinc/12/58/64/182125864.db2.gz SWEWPCGRGBDFER-HNNXBMFYSA-N 1 2 302.422 2.318 40 0 DEABLO CCCC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019501622 182125865 /nfs/dbraw/zinc/12/58/65/182125865.db2.gz SWEWPCGRGBDFER-HNNXBMFYSA-N 1 2 302.422 2.318 40 0 DEABLO COc1ccc(OC)c(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)c1 ZINC000019904360 182162667 /nfs/dbraw/zinc/16/26/67/182162667.db2.gz DDIKAWRIKGCHLD-MDWZMJQESA-N 1 2 322.386 2.259 40 0 DEABLO COC[C@H]1CN(C(=O)c2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045069 285461377 /nfs/dbraw/zinc/46/13/77/285461377.db2.gz CLOVTFVSHAAZRF-CQSZACIVSA-N 1 2 315.373 2.272 40 0 DEABLO CSc1c(Cl)nc(NC(C)C)nc1N1CC[NH+](C)CC1 ZINC000000001582 401687387 /nfs/dbraw/zinc/68/73/87/401687387.db2.gz UMMYPDFDLDVDCZ-UHFFFAOYSA-N 1 2 315.874 2.424 40 0 in-man DEABLO Cc1cc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)no1 ZINC000096042604 402049737 /nfs/dbraw/zinc/04/97/37/402049737.db2.gz KOOSTEFNUMQAAF-INMHGKMJSA-N 1 2 315.373 2.189 40 0 DEABLO Cc1cc(C[N@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)no1 ZINC000096042604 402049739 /nfs/dbraw/zinc/04/97/39/402049739.db2.gz KOOSTEFNUMQAAF-INMHGKMJSA-N 1 2 315.373 2.189 40 0 DEABLO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096042964 402049824 /nfs/dbraw/zinc/04/98/24/402049824.db2.gz RRVSGUNGQDLLNV-FPMFFAJLSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096042964 402049827 /nfs/dbraw/zinc/04/98/27/402049827.db2.gz RRVSGUNGQDLLNV-FPMFFAJLSA-N 1 2 320.418 2.495 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060277 402054910 /nfs/dbraw/zinc/05/49/10/402054910.db2.gz WCVBGIMHUOJQCS-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060277 402054914 /nfs/dbraw/zinc/05/49/14/402054914.db2.gz WCVBGIMHUOJQCS-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080512 402056948 /nfs/dbraw/zinc/05/69/48/402056948.db2.gz DUOMFXIYPSCYKN-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080512 402056950 /nfs/dbraw/zinc/05/69/50/402056950.db2.gz DUOMFXIYPSCYKN-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000096249997 402074980 /nfs/dbraw/zinc/07/49/80/402074980.db2.gz OVDXPQXHVQTEKD-BPUTZDHNSA-N 1 2 315.373 2.128 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000096249997 402074981 /nfs/dbraw/zinc/07/49/81/402074981.db2.gz OVDXPQXHVQTEKD-BPUTZDHNSA-N 1 2 315.373 2.128 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)no1 ZINC000097953901 402133785 /nfs/dbraw/zinc/13/37/85/402133785.db2.gz CMMUMYHILQXWNC-IAOVAPTHSA-N 1 2 314.389 2.434 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)no1 ZINC000097953901 402133789 /nfs/dbraw/zinc/13/37/89/402133789.db2.gz CMMUMYHILQXWNC-IAOVAPTHSA-N 1 2 314.389 2.434 40 0 DEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953742 402133929 /nfs/dbraw/zinc/13/39/29/402133929.db2.gz BGPXYNIWNDVRSK-OKZBNKHCSA-N 1 2 311.385 2.287 40 0 DEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953742 402133931 /nfs/dbraw/zinc/13/39/31/402133931.db2.gz BGPXYNIWNDVRSK-OKZBNKHCSA-N 1 2 311.385 2.287 40 0 DEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)o1 ZINC000248121200 402582947 /nfs/dbraw/zinc/58/29/47/402582947.db2.gz VHDSLJNSIPZYDD-CQSZACIVSA-N 1 2 315.373 2.190 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257248732 402708262 /nfs/dbraw/zinc/70/82/62/402708262.db2.gz JEYIFHZEXQCFCY-NSHDSACASA-N 1 2 309.366 2.035 40 0 DEABLO OCCNc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329070956 404219562 /nfs/dbraw/zinc/21/95/62/404219562.db2.gz ZMFAPBFPVZUJNX-UHFFFAOYSA-N 1 2 324.359 2.274 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000328962950 404182330 /nfs/dbraw/zinc/18/23/30/404182330.db2.gz BLHUHTLDIMZZMX-SECBINFHSA-N 1 2 320.343 2.012 40 0 DEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000328966539 404184674 /nfs/dbraw/zinc/18/46/74/404184674.db2.gz CMIZQXFZEAHUSW-UHFFFAOYSA-N 1 2 324.384 2.400 40 0 DEABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000328966539 404184677 /nfs/dbraw/zinc/18/46/77/404184677.db2.gz CMIZQXFZEAHUSW-UHFFFAOYSA-N 1 2 324.384 2.400 40 0 DEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1F ZINC000328995126 404193910 /nfs/dbraw/zinc/19/39/10/404193910.db2.gz JGEMVJULWWLTLH-NSHDSACASA-N 1 2 316.380 2.182 40 0 DEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccoc1C)[C@@H]2C ZINC000585097215 405865651 /nfs/dbraw/zinc/86/56/51/405865651.db2.gz GNZMPQUGSDYJRI-LLVKDONJSA-N 1 2 303.362 2.190 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C2CCC(F)(F)CC2)[nH+]1 ZINC000257304460 301024242 /nfs/dbraw/zinc/02/42/42/301024242.db2.gz SLTWKCPUMJKTPP-LBPRGKRZSA-N 1 2 313.348 2.444 40 0 DEABLO Cc1cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(C)s1 ZINC000175664116 301390503 /nfs/dbraw/zinc/39/05/03/301390503.db2.gz NQQMCGGQKXZATR-UHFFFAOYSA-N 1 2 310.400 2.348 40 0 DEABLO Cc1nc(N2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)cc[nH+]1 ZINC000257311074 302709286 /nfs/dbraw/zinc/70/92/86/302709286.db2.gz UHUYIEADHRONJW-ZDUSSCGKSA-N 1 2 310.361 2.265 40 0 DEABLO Cc1csc(Nc2cccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383067 191142946 /nfs/dbraw/zinc/14/29/46/191142946.db2.gz SGQPGBVWPBNVHW-GFCCVEGCSA-N 1 2 317.418 2.212 40 0 DEABLO Cc1csc(Nc2cccc([C@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383067 191142947 /nfs/dbraw/zinc/14/29/47/191142947.db2.gz SGQPGBVWPBNVHW-GFCCVEGCSA-N 1 2 317.418 2.212 40 0 DEABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000008025023 354009419 /nfs/dbraw/zinc/00/94/19/354009419.db2.gz XURYWBDEGWFQQA-MRXNPFEDSA-N 1 2 317.389 2.256 40 0 DEABLO c1coc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)c1 ZINC000585105235 357334283 /nfs/dbraw/zinc/33/42/83/357334283.db2.gz RCLPCXUBDGASKE-AWEZNQCLSA-N 1 2 300.358 2.487 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257296101 203021071 /nfs/dbraw/zinc/02/10/71/203021071.db2.gz RBGAMSIBQZIDTP-GFCCVEGCSA-N 1 2 303.337 2.252 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cccs2)[nH+]1 ZINC000257336348 203057387 /nfs/dbraw/zinc/05/73/87/203057387.db2.gz YOAVLMWUCAVXMO-CYBMUJFWSA-N 1 2 305.403 2.312 40 0 DEABLO CC[N@@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257318001 203042774 /nfs/dbraw/zinc/04/27/74/203042774.db2.gz VMCAHCNLNXXFPT-LLVKDONJSA-N 1 2 304.423 2.346 40 0 DEABLO CC[N@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257318001 203042778 /nfs/dbraw/zinc/04/27/78/203042778.db2.gz VMCAHCNLNXXFPT-LLVKDONJSA-N 1 2 304.423 2.346 40 0 DEABLO CCOc1ccc(C=C2C(=[NH2+])NC(=N)NC2=O)cc1OCC ZINC000017193125 182079243 /nfs/dbraw/zinc/07/92/43/182079243.db2.gz KLFYCKLRTAKFOE-JXMROGBWSA-N 1 2 302.334 2.129 40 0 DEABLO CC(C)Sc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000020612816 182238470 /nfs/dbraw/zinc/23/84/70/182238470.db2.gz SZNRICXJPNWJNP-UHFFFAOYSA-N 1 2 308.447 2.249 40 0 DEABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 ZINC000026505303 401841139 /nfs/dbraw/zinc/84/11/39/401841139.db2.gz DJPAXUPAHIQLHK-UWVGGRQHSA-N 1 2 320.798 2.133 40 0 DEABLO COc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000027531066 401845559 /nfs/dbraw/zinc/84/55/59/401845559.db2.gz WDUZZBDAWRLFCZ-AWEZNQCLSA-N 1 2 323.433 2.065 40 0 DEABLO Fc1ccc(CN2CC[C@]23CC[N@H+](Cc2cc[nH]n2)C3)cc1 ZINC000096076078 402056878 /nfs/dbraw/zinc/05/68/78/402056878.db2.gz PIBIDVUHKJECPM-KRWDZBQOSA-N 1 2 300.381 2.399 40 0 DEABLO Fc1ccc(CN2CC[C@]23CC[N@@H+](Cc2cc[nH]n2)C3)cc1 ZINC000096076078 402056881 /nfs/dbraw/zinc/05/68/81/402056881.db2.gz PIBIDVUHKJECPM-KRWDZBQOSA-N 1 2 300.381 2.399 40 0 DEABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1 ZINC000096144966 402062255 /nfs/dbraw/zinc/06/22/55/402062255.db2.gz ZQHOFOSHQGDYEK-UHFFFAOYSA-N 1 2 304.438 2.001 40 0 DEABLO CC(C)CC[N@@H+]1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1 ZINC000096187413 402066152 /nfs/dbraw/zinc/06/61/52/402066152.db2.gz YDSCSSZCFWCLLG-ZDUSSCGKSA-N 1 2 304.438 2.438 40 0 DEABLO CC(C)CC[N@H+]1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1 ZINC000096187413 402066154 /nfs/dbraw/zinc/06/61/54/402066154.db2.gz YDSCSSZCFWCLLG-ZDUSSCGKSA-N 1 2 304.438 2.438 40 0 DEABLO CC[C@]1(C)NN=C2C=CC3=C([NH2+]N[C@@](C)(CC)c4cccn43)N21 ZINC000103982845 402196052 /nfs/dbraw/zinc/19/60/52/402196052.db2.gz PDUKIRLVLWWWDE-DLBZAZTESA-N 1 2 312.421 2.262 40 0 DEABLO COC(=O)c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225521374 402319548 /nfs/dbraw/zinc/31/95/48/402319548.db2.gz ZGCOIOZIWZLAAK-UHFFFAOYSA-N 1 2 318.402 2.046 40 0 DEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)o1 ZINC000248096659 402582358 /nfs/dbraw/zinc/58/23/58/402582358.db2.gz MQBHWXMCVSWIFD-AWEZNQCLSA-N 1 2 315.373 2.190 40 0 DEABLO Cc1nc(N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)cc[nH+]1 ZINC000257253902 402708701 /nfs/dbraw/zinc/70/87/01/402708701.db2.gz KATGYWFZSSKHOT-LLVKDONJSA-N 1 2 309.377 2.023 40 0 DEABLO CC(C)n1ccnc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257262574 402709883 /nfs/dbraw/zinc/70/98/83/402709883.db2.gz LLYQAWDBZZJAJB-HZPDHXFCSA-N 1 2 301.390 2.088 40 0 DEABLO CC(C)n1ccnc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257262574 402709884 /nfs/dbraw/zinc/70/98/84/402709884.db2.gz LLYQAWDBZZJAJB-HZPDHXFCSA-N 1 2 301.390 2.088 40 0 DEABLO O=C(C1CCOCC1)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257265256 402710425 /nfs/dbraw/zinc/71/04/25/402710425.db2.gz LXXBJDJGJWIGLO-HNNXBMFYSA-N 1 2 313.401 2.467 40 0 DEABLO Oc1cccc(C[NH+]2CCN(c3ncc(Cl)cn3)CC2)c1 ZINC000267094379 403014922 /nfs/dbraw/zinc/01/49/22/403014922.db2.gz NIYXRDAQVBWIDE-UHFFFAOYSA-N 1 2 304.781 2.158 40 0 DEABLO CC(C)Nc1nc(NCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000328978405 404188500 /nfs/dbraw/zinc/18/85/00/404188500.db2.gz FYVNMWPJABJHQQ-UHFFFAOYSA-N 1 2 320.400 2.210 40 0 DEABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000329030753 404207124 /nfs/dbraw/zinc/20/71/24/404207124.db2.gz QGDHEWQHBHMNGB-UHFFFAOYSA-N 1 2 320.396 2.444 40 0 DEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1[nH]nc2ccccc21 ZINC000131112307 196140223 /nfs/dbraw/zinc/14/02/23/196140223.db2.gz FDDLECIQKANDQU-CYBMUJFWSA-N 1 2 321.384 2.357 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2nccc3ccccc32)[nH+]1 ZINC000257242923 301024994 /nfs/dbraw/zinc/02/49/94/301024994.db2.gz IESWKLNVBPDRIK-HNNXBMFYSA-N 1 2 322.368 2.480 40 0 DEABLO CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439342 185171648 /nfs/dbraw/zinc/17/16/48/185171648.db2.gz IXHOHSHMARMPTL-UHFFFAOYSA-N 1 2 319.409 2.108 40 0 DEABLO CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439342 185171649 /nfs/dbraw/zinc/17/16/49/185171649.db2.gz IXHOHSHMARMPTL-UHFFFAOYSA-N 1 2 319.409 2.108 40 0 DEABLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439482 185171809 /nfs/dbraw/zinc/17/18/09/185171809.db2.gz GCNDRINEZNODLG-GFCCVEGCSA-N 1 2 319.409 2.472 40 0 DEABLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439482 185171810 /nfs/dbraw/zinc/17/18/10/185171810.db2.gz GCNDRINEZNODLG-GFCCVEGCSA-N 1 2 319.409 2.472 40 0 DEABLO CNc1ccc([C@H]2C[N@H+](Cc3cccnc3NC)CCO2)nc1 ZINC000072388120 191146858 /nfs/dbraw/zinc/14/68/58/191146858.db2.gz PLJRDABPXQMMFI-MRXNPFEDSA-N 1 2 313.405 2.134 40 0 DEABLO CNc1ccc([C@H]2C[N@@H+](Cc3cccnc3NC)CCO2)nc1 ZINC000072388120 191146861 /nfs/dbraw/zinc/14/68/61/191146861.db2.gz PLJRDABPXQMMFI-MRXNPFEDSA-N 1 2 313.405 2.134 40 0 DEABLO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCCn1cc[nH+]c1)CC2=O ZINC000004756196 181149020 /nfs/dbraw/zinc/14/90/20/181149020.db2.gz DNWSFCQBRNYSHF-DLBZAZTESA-N 1 2 303.406 2.175 40 0 DEABLO COCCc1c[nH+]c2n1CCN(Cc1cccnc1OC)[C@H]2C ZINC000585098579 357332701 /nfs/dbraw/zinc/33/27/01/357332701.db2.gz UZEMNPXATRUBAI-ZDUSSCGKSA-N 1 2 316.405 2.052 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)Cc2ncn(C)c21 ZINC000585110811 357335790 /nfs/dbraw/zinc/33/57/90/357335790.db2.gz JYLOGTXNCBKBDG-OAHLLOKOSA-N 1 2 312.417 2.044 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ncn(C)c21 ZINC000585110811 357335795 /nfs/dbraw/zinc/33/57/95/357335795.db2.gz JYLOGTXNCBKBDG-OAHLLOKOSA-N 1 2 312.417 2.044 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585279778 357343058 /nfs/dbraw/zinc/34/30/58/357343058.db2.gz OSWRYCXDWBCWAW-RHSMWYFYSA-N 1 2 303.381 2.283 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585279778 357343059 /nfs/dbraw/zinc/34/30/59/357343059.db2.gz OSWRYCXDWBCWAW-RHSMWYFYSA-N 1 2 303.381 2.283 40 0 DEABLO Cc1nc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)no1 ZINC000257318544 203042791 /nfs/dbraw/zinc/04/27/91/203042791.db2.gz VOISHXZLLXTYBL-IJEWVQPXSA-N 1 2 314.389 2.371 40 0 DEABLO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)no1 ZINC000257318544 203042796 /nfs/dbraw/zinc/04/27/96/203042796.db2.gz VOISHXZLLXTYBL-IJEWVQPXSA-N 1 2 314.389 2.371 40 0 DEABLO CCc1noc(CCC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257320529 203045067 /nfs/dbraw/zinc/04/50/67/203045067.db2.gz VXFGTPXOUODYDS-GFCCVEGCSA-N 1 2 317.393 2.002 40 0 DEABLO Cc1ccc(C[N@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257321094 203046401 /nfs/dbraw/zinc/04/64/01/203046401.db2.gz WABDYFBGLFTKIS-LJQANCHMSA-N 1 2 324.428 2.365 40 0 DEABLO Cc1ccc(C[N@@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257321094 203046403 /nfs/dbraw/zinc/04/64/03/203046403.db2.gz WABDYFBGLFTKIS-LJQANCHMSA-N 1 2 324.428 2.365 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cccs2)[nH+]1 ZINC000257336349 203058644 /nfs/dbraw/zinc/05/86/44/203058644.db2.gz YOAVLMWUCAVXMO-ZDUSSCGKSA-N 1 2 305.403 2.312 40 0 DEABLO CNc1cc([C@@H]2CCCN2C(=O)CCn2nccc2C)cc[nH+]1 ZINC000257344784 203066745 /nfs/dbraw/zinc/06/67/45/203066745.db2.gz ZYQXVHUMTJQPKB-HNNXBMFYSA-N 1 2 313.405 2.382 40 0 DEABLO CC(=O)N1CCC(Cc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758711 182144809 /nfs/dbraw/zinc/14/48/09/182144809.db2.gz AMVCRSALCROCGW-UHFFFAOYSA-N 1 2 302.422 2.186 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N)[nH+]c2)cc1 ZINC000072212371 257127355 /nfs/dbraw/zinc/12/73/55/257127355.db2.gz STGIZCLJRDVWEI-OAHLLOKOSA-N 1 2 317.414 2.498 40 0 DEABLO COc1ccc([C@H](NC(=O)C2CC2)c2[nH+]ccn2C)cc1OC ZINC000012114938 401779440 /nfs/dbraw/zinc/77/94/40/401779440.db2.gz ZOCMZTXRFYNTGS-HNNXBMFYSA-N 1 2 315.373 2.053 40 0 DEABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000030865479 401866492 /nfs/dbraw/zinc/86/64/92/401866492.db2.gz ZFCCWRGIMYQATQ-OAHLLOKOSA-N 1 2 305.353 2.386 40 0 DEABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045063 402049407 /nfs/dbraw/zinc/04/94/07/402049407.db2.gz XLFVSVMWORGNHG-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045063 402049409 /nfs/dbraw/zinc/04/94/09/402049409.db2.gz XLFVSVMWORGNHG-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096044802 402049776 /nfs/dbraw/zinc/04/97/76/402049776.db2.gz KMABPMNAPHBALD-AWEZNQCLSA-N 1 2 303.406 2.383 40 0 DEABLO COC[C@@H]1CN(Cc2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060274 402054448 /nfs/dbraw/zinc/05/44/48/402054448.db2.gz IFVNRZIUJYGKED-HNNXBMFYSA-N 1 2 312.417 2.434 40 0 DEABLO c1snnc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096072444 402056396 /nfs/dbraw/zinc/05/63/96/402056396.db2.gz DLIRWSRVRFVMJO-CVEARBPZSA-N 1 2 317.414 2.351 40 0 DEABLO c1snnc1C[N@H+]1CC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096072444 402056399 /nfs/dbraw/zinc/05/63/99/402056399.db2.gz DLIRWSRVRFVMJO-CVEARBPZSA-N 1 2 317.414 2.351 40 0 DEABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000096084445 402057701 /nfs/dbraw/zinc/05/77/01/402057701.db2.gz FNSHKHUVFPBPES-UHFFFAOYSA-N 1 2 318.808 2.291 40 0 DEABLO CN(C(=O)C(F)(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000226275364 402326850 /nfs/dbraw/zinc/32/68/50/402326850.db2.gz GYYQWXHYOFEJIS-UHFFFAOYSA-N 1 2 302.296 2.044 40 0 DEABLO Nc1nccnc1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257214411 402703661 /nfs/dbraw/zinc/70/36/61/402703661.db2.gz CLWINVXPBPDMHU-MRXNPFEDSA-N 1 2 321.384 2.181 40 0 DEABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257214411 402703664 /nfs/dbraw/zinc/70/36/64/402703664.db2.gz CLWINVXPBPDMHU-MRXNPFEDSA-N 1 2 321.384 2.181 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2ccc(F)cc2)[nH+]1 ZINC000257313278 402711891 /nfs/dbraw/zinc/71/18/91/402711891.db2.gz URQHOQHZASBPGB-HNNXBMFYSA-N 1 2 317.364 2.390 40 0 DEABLO CC(C)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329006847 404196753 /nfs/dbraw/zinc/19/67/53/404196753.db2.gz LGXYXEIKWDYPHY-UHFFFAOYSA-N 1 2 309.373 2.408 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3ccccc3n2)[nH+]1 ZINC000257310919 278616291 /nfs/dbraw/zinc/61/62/91/278616291.db2.gz UHEIRSFIMIBSDS-MRXNPFEDSA-N 1 2 322.368 2.480 40 0 DEABLO O=C(C1=CCCC1)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000306123817 231083674 /nfs/dbraw/zinc/08/36/74/231083674.db2.gz AXVPWJHEQDHBDM-INIZCTEOSA-N 1 2 324.384 2.351 40 0 DEABLO CNc1cccc([C@@H]2CCCN(C(=O)c3coc(C)n3)C2)[nH+]1 ZINC000072364597 191133286 /nfs/dbraw/zinc/13/32/86/191133286.db2.gz VVYAIXXXZJHUMT-GFCCVEGCSA-N 1 2 300.362 2.440 40 0 DEABLO Cc1nc(N2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cc[nH+]1 ZINC000585275055 357342697 /nfs/dbraw/zinc/34/26/97/357342697.db2.gz UZHPTRHBSSBENX-HOTGVXAUSA-N 1 2 301.365 2.497 40 0 DEABLO OC[C@@]1(Cc2ccccc2F)C[N@H+](Cc2ccncc2)CCO1 ZINC000585275554 357342739 /nfs/dbraw/zinc/34/27/39/357342739.db2.gz GKSJFUNWYCXUPO-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@@]1(Cc2ccccc2F)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585275554 357342741 /nfs/dbraw/zinc/34/27/41/357342741.db2.gz GKSJFUNWYCXUPO-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO O=C(c1cnccn1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257242444 202975264 /nfs/dbraw/zinc/97/52/64/202975264.db2.gz ICMPWIVXVZBQEN-UHFFFAOYSA-N 1 2 307.357 2.144 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cccn2C)CC[N@@H+]1C ZINC000257274430 203002091 /nfs/dbraw/zinc/00/20/91/203002091.db2.gz NLAVXLDGIPWXEE-MRXNPFEDSA-N 1 2 313.401 2.163 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cccn2C)CC[N@H+]1C ZINC000257274430 203002094 /nfs/dbraw/zinc/00/20/94/203002094.db2.gz NLAVXLDGIPWXEE-MRXNPFEDSA-N 1 2 313.401 2.163 40 0 DEABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257277410 203005375 /nfs/dbraw/zinc/00/53/75/203005375.db2.gz NXVMYAPADQCMNW-INIZCTEOSA-N 1 2 321.384 2.181 40 0 DEABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257277410 203005378 /nfs/dbraw/zinc/00/53/78/203005378.db2.gz NXVMYAPADQCMNW-INIZCTEOSA-N 1 2 321.384 2.181 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)[nH+]1 ZINC000257335840 203057345 /nfs/dbraw/zinc/05/73/45/203057345.db2.gz YMBWARNLFNHQTC-CYBMUJFWSA-N 1 2 300.362 2.413 40 0 DEABLO Cc1cc(CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)ccn1 ZINC000257316056 203040677 /nfs/dbraw/zinc/04/06/77/203040677.db2.gz VDYCIGQDNSJFQJ-UHFFFAOYSA-N 1 2 312.417 2.458 40 0 DEABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096060835 193512041 /nfs/dbraw/zinc/51/20/41/193512041.db2.gz FSSZFEWAISIVDG-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096060835 193512043 /nfs/dbraw/zinc/51/20/43/193512043.db2.gz FSSZFEWAISIVDG-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO Cc1ccccc1C1=NO[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@H]12 ZINC000019236973 182111116 /nfs/dbraw/zinc/11/11/16/182111116.db2.gz XCGODBKYGKTDDD-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccccc1C1=NO[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@@H]12 ZINC000019236973 182111118 /nfs/dbraw/zinc/11/11/18/182111118.db2.gz XCGODBKYGKTDDD-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO COCCNC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019593575 182132927 /nfs/dbraw/zinc/13/29/27/182132927.db2.gz CCTPSYWSQVCEJI-UHFFFAOYSA-N 1 2 310.357 2.039 40 0 DEABLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1nonc1C ZINC000019654450 182134527 /nfs/dbraw/zinc/13/45/27/182134527.db2.gz BZXJWSLFSLMSNK-CYBMUJFWSA-N 1 2 316.361 2.162 40 0 DEABLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1nonc1C ZINC000019654450 182134529 /nfs/dbraw/zinc/13/45/29/182134529.db2.gz BZXJWSLFSLMSNK-CYBMUJFWSA-N 1 2 316.361 2.162 40 0 DEABLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000019937089 182167384 /nfs/dbraw/zinc/16/73/84/182167384.db2.gz JBUIXRDOBZHQSR-UHFFFAOYSA-N 1 2 310.401 2.051 40 0 DEABLO CC(C)c1ncc(C[N@H+](CCCO)Cc2ccncc2)cn1 ZINC000057796762 184052991 /nfs/dbraw/zinc/05/29/91/184052991.db2.gz PPMCXIKYHPTTSC-UHFFFAOYSA-N 1 2 300.406 2.380 40 0 DEABLO CC(C)c1ncc(C[N@@H+](CCCO)Cc2ccncc2)cn1 ZINC000057796762 184052993 /nfs/dbraw/zinc/05/29/93/184052993.db2.gz PPMCXIKYHPTTSC-UHFFFAOYSA-N 1 2 300.406 2.380 40 0 DEABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1c[nH+]cn1C ZINC000072336970 292026514 /nfs/dbraw/zinc/02/65/14/292026514.db2.gz KGFAVEDGRVSZFJ-DOMZBBRYSA-N 1 2 308.389 2.033 40 0 DEABLO CCC1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000127930507 401756044 /nfs/dbraw/zinc/75/60/44/401756044.db2.gz UVPINVIYBYMSMM-HNNXBMFYSA-N 1 2 309.454 2.073 40 0 DEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccco1 ZINC000027233053 401844429 /nfs/dbraw/zinc/84/44/29/401844429.db2.gz NJLFJDAZWZFOHM-CYBMUJFWSA-O 1 2 313.362 2.424 40 0 DEABLO CC[NH+]1CCN(c2c(Br)cc(N)cc2OC)CC1 ZINC000045886003 401963456 /nfs/dbraw/zinc/96/34/56/401963456.db2.gz XXYHQIYORWWRHR-UHFFFAOYSA-N 1 2 314.227 2.182 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4c(C)noc4C)C[C@H]3O2)n[nH]1 ZINC000096046202 402050465 /nfs/dbraw/zinc/05/04/65/402050465.db2.gz NJPLKFDDNWWHNI-NWANDNLSSA-N 1 2 317.393 2.070 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4c(C)noc4C)C[C@H]3O2)n[nH]1 ZINC000096046202 402050467 /nfs/dbraw/zinc/05/04/67/402050467.db2.gz NJPLKFDDNWWHNI-NWANDNLSSA-N 1 2 317.393 2.070 40 0 DEABLO COC[C@H]1C[N@H+](Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096060879 402054776 /nfs/dbraw/zinc/05/47/76/402054776.db2.gz QFWSVXFRFZIDLD-CYBMUJFWSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096060879 402054778 /nfs/dbraw/zinc/05/47/78/402054778.db2.gz QFWSVXFRFZIDLD-CYBMUJFWSA-N 1 2 318.446 2.495 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096074897 402056788 /nfs/dbraw/zinc/05/67/88/402056788.db2.gz MHKMWFWGTUKPDS-OAHLLOKOSA-N 1 2 320.418 2.003 40 0 DEABLO c1coc(C[N@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096074897 402056790 /nfs/dbraw/zinc/05/67/90/402056790.db2.gz MHKMWFWGTUKPDS-OAHLLOKOSA-N 1 2 320.418 2.003 40 0 DEABLO Cc1ccsc1C(=O)N1Cc2c(C[NH+](C)C)nn(C)c2C1 ZINC000096084449 402057662 /nfs/dbraw/zinc/05/76/62/402057662.db2.gz BAJACRRLJVTQRW-UHFFFAOYSA-N 1 2 304.419 2.008 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000107798220 402240965 /nfs/dbraw/zinc/24/09/65/402240965.db2.gz DUOMFXIYPSCYKN-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000107798220 402240966 /nfs/dbraw/zinc/24/09/66/402240966.db2.gz DUOMFXIYPSCYKN-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO CC[NH+]1CCN(C(=O)c2snnc2-c2cccs2)CC1 ZINC000225790318 402323661 /nfs/dbraw/zinc/32/36/61/402323661.db2.gz HKZPQBBTPGGGMH-UHFFFAOYSA-N 1 2 308.432 2.044 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)co1 ZINC000247984458 402579328 /nfs/dbraw/zinc/57/93/28/402579328.db2.gz YQRWNQWHZYHVKS-QGZVFWFLSA-N 1 2 321.417 2.456 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cc1 ZINC000248091801 402581905 /nfs/dbraw/zinc/58/19/05/402581905.db2.gz HFTGVZWRZRFYGJ-INIZCTEOSA-N 1 2 311.385 2.289 40 0 DEABLO COCC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247888658 402577384 /nfs/dbraw/zinc/57/73/84/402577384.db2.gz SMVUJALJJLZZEK-HNNXBMFYSA-N 1 2 315.373 2.205 40 0 DEABLO COCC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247888658 402577385 /nfs/dbraw/zinc/57/73/85/402577385.db2.gz SMVUJALJJLZZEK-HNNXBMFYSA-N 1 2 315.373 2.205 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000247924542 402577865 /nfs/dbraw/zinc/57/78/65/402577865.db2.gz OVDXPQXHVQTEKD-NUEKZKHPSA-N 1 2 315.373 2.128 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000247924542 402577866 /nfs/dbraw/zinc/57/78/66/402577866.db2.gz OVDXPQXHVQTEKD-NUEKZKHPSA-N 1 2 315.373 2.128 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257210949 402703864 /nfs/dbraw/zinc/70/38/64/402703864.db2.gz BWVNXCUZNJOIST-GFCCVEGCSA-N 1 2 304.419 2.350 40 0 DEABLO CCCn1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257232488 402706419 /nfs/dbraw/zinc/70/64/19/402706419.db2.gz GLBLNBDQFQYKHG-QGZVFWFLSA-N 1 2 312.417 2.422 40 0 DEABLO CCCn1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257232488 402706420 /nfs/dbraw/zinc/70/64/20/402706420.db2.gz GLBLNBDQFQYKHG-QGZVFWFLSA-N 1 2 312.417 2.422 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C(C)C)no2)[nH+]1 ZINC000257258961 402709510 /nfs/dbraw/zinc/70/95/10/402709510.db2.gz KWFOLVNCEOIOQH-LBPRGKRZSA-N 1 2 304.350 2.043 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccncn1 ZINC000257272165 402711291 /nfs/dbraw/zinc/71/12/91/402711291.db2.gz NBHIHZUNJCWFEY-MRXNPFEDSA-N 1 2 321.384 2.498 40 0 DEABLO COC[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2c[nH+]cn21 ZINC000253613832 402670432 /nfs/dbraw/zinc/67/04/32/402670432.db2.gz OOLQZTJYUDMAFH-MRXNPFEDSA-N 1 2 322.368 2.275 40 0 DEABLO C[C@H](O)C[NH+]1CCN(Sc2nc3ccccc3s2)CC1 ZINC000255189831 402681316 /nfs/dbraw/zinc/68/13/16/402681316.db2.gz SKDNXVOLQGWCHX-NSHDSACASA-N 1 2 309.460 2.302 40 0 DEABLO Cc1nccc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257202154 402702470 /nfs/dbraw/zinc/70/24/70/402702470.db2.gz AKSKYJNYNSANNK-OAHLLOKOSA-N 1 2 313.405 2.168 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257202235 402702496 /nfs/dbraw/zinc/70/24/96/402702496.db2.gz ALACMGILTHGNEB-GFCCVEGCSA-N 1 2 317.393 2.173 40 0 DEABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329064003 404217944 /nfs/dbraw/zinc/21/79/44/404217944.db2.gz XHDJVQGYYRWHSR-UHFFFAOYSA-N 1 2 318.808 2.307 40 0 DEABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000328960442 404181601 /nfs/dbraw/zinc/18/16/01/404181601.db2.gz AYANLLFMAXYLLI-ZDUSSCGKSA-N 1 2 312.417 2.351 40 0 DEABLO Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000407996961 405086058 /nfs/dbraw/zinc/08/60/58/405086058.db2.gz HTDIDPZCTXHURZ-GFCCVEGCSA-N 1 2 323.393 2.046 40 0 DEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccoc1C)[C@H]2C ZINC000585097216 405866166 /nfs/dbraw/zinc/86/61/66/405866166.db2.gz GNZMPQUGSDYJRI-NSHDSACASA-N 1 2 303.362 2.190 40 0 DEABLO COCCc1c[nH+]c2n1CCN(C(=O)c1occc1C)[C@H]2C ZINC000585098187 405867936 /nfs/dbraw/zinc/86/79/36/405867936.db2.gz REBZKCFWQXTNOP-LBPRGKRZSA-N 1 2 303.362 2.190 40 0 DEABLO CC(C)c1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000026505245 278038405 /nfs/dbraw/zinc/03/84/05/278038405.db2.gz FTNFZRYMIMXYDD-STQMWFEESA-N 1 2 310.444 2.464 40 0 DEABLO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)s1 ZINC000072383069 191142301 /nfs/dbraw/zinc/14/23/01/191142301.db2.gz BUACKRAFWVHEKY-GFCCVEGCSA-N 1 2 317.418 2.212 40 0 DEABLO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3CC(N)=O)n2)s1 ZINC000072383069 191142303 /nfs/dbraw/zinc/14/23/03/191142303.db2.gz BUACKRAFWVHEKY-GFCCVEGCSA-N 1 2 317.418 2.212 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112491 357334973 /nfs/dbraw/zinc/33/49/73/357334973.db2.gz QBQFTGVPKZURSO-OAHLLOKOSA-N 1 2 323.400 2.057 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112491 357334976 /nfs/dbraw/zinc/33/49/76/357334976.db2.gz QBQFTGVPKZURSO-OAHLLOKOSA-N 1 2 323.400 2.057 40 0 DEABLO CCn1ccnc1C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279487 357343924 /nfs/dbraw/zinc/34/39/24/357343924.db2.gz MVJGHROKXHWECC-WBVHZDCISA-N 1 2 317.408 2.468 40 0 DEABLO CCn1ccnc1C[N@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279487 357343927 /nfs/dbraw/zinc/34/39/27/357343927.db2.gz MVJGHROKXHWECC-WBVHZDCISA-N 1 2 317.408 2.468 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257279777 203008603 /nfs/dbraw/zinc/00/86/03/203008603.db2.gz OIDNBRIDFWZBOE-GFCCVEGCSA-N 1 2 317.393 2.173 40 0 DEABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(NC)n1 ZINC000257284767 203012642 /nfs/dbraw/zinc/01/26/42/203012642.db2.gz PEFHPEAYVUVDRN-AWEZNQCLSA-N 1 2 300.410 2.462 40 0 DEABLO CNc1cc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)cc[nH+]1 ZINC000257327131 203051247 /nfs/dbraw/zinc/05/12/47/203051247.db2.gz XABQPDGHOVFHSN-CYBMUJFWSA-N 1 2 319.796 2.337 40 0 DEABLO CCC(=O)N1CCC(c2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257327558 203051865 /nfs/dbraw/zinc/05/18/65/203051865.db2.gz XBVAQHQAXRMGRF-UHFFFAOYSA-N 1 2 313.405 2.302 40 0 DEABLO O[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@H]1Oc1ccccc1 ZINC000257311166 203037114 /nfs/dbraw/zinc/03/71/14/203037114.db2.gz UIGBIXXVNUKZCD-HZPDHXFCSA-N 1 2 304.777 2.359 40 0 DEABLO O[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1Oc1ccccc1 ZINC000257311166 203037118 /nfs/dbraw/zinc/03/71/18/203037118.db2.gz UIGBIXXVNUKZCD-HZPDHXFCSA-N 1 2 304.777 2.359 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257313988 203038343 /nfs/dbraw/zinc/03/83/43/203038343.db2.gz UUYBCLMJBYDJJT-GFCCVEGCSA-N 1 2 300.362 2.147 40 0 DEABLO CCc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000257316575 203041183 /nfs/dbraw/zinc/04/11/83/203041183.db2.gz VGDUJQHCIWINTD-CQSZACIVSA-N 1 2 314.389 2.373 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH+]1 ZINC000257319603 203042811 /nfs/dbraw/zinc/04/28/11/203042811.db2.gz VTGBRQRVNDQZMQ-CYBMUJFWSA-N 1 2 305.403 2.205 40 0 DEABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C)n2)cc1 ZINC000015707208 182013100 /nfs/dbraw/zinc/01/31/00/182013100.db2.gz WACWTWJRWCOPKR-AWEZNQCLSA-N 1 2 311.345 2.198 40 0 biogenic,in-vitro DEABLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1C=O ZINC000072223643 257123671 /nfs/dbraw/zinc/12/36/71/257123671.db2.gz REHFIJLFNFJERC-UHFFFAOYSA-N 1 2 305.378 2.260 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)c2ccccc2F)c[nH+]1 ZINC000224348807 257233041 /nfs/dbraw/zinc/23/30/41/257233041.db2.gz OHKXEQFCSRHWGR-UHFFFAOYSA-N 1 2 303.341 2.000 40 0 DEABLO Cc1[nH+]c(N)nc(Nc2ccc(CCO)cc2)c1Br ZINC000001682042 401709783 /nfs/dbraw/zinc/70/97/83/401709783.db2.gz AVFXIHJMODBOBB-UHFFFAOYSA-N 1 2 323.194 2.408 40 0 DEABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 ZINC000030860012 401866579 /nfs/dbraw/zinc/86/65/79/401866579.db2.gz UVJZIGHSNZEYMB-CYBMUJFWSA-N 1 2 308.447 2.340 40 0 DEABLO C[C@H]([NH3+])c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534666 402034120 /nfs/dbraw/zinc/03/41/20/402034120.db2.gz XTNMKICTXIAOQT-LURJTMIESA-N 1 2 314.130 2.096 40 0 DEABLO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)nc1 ZINC000096058046 402053761 /nfs/dbraw/zinc/05/37/61/402053761.db2.gz SXHNNXAFSUUPAU-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000096058046 402053763 /nfs/dbraw/zinc/05/37/63/402053763.db2.gz SXHNNXAFSUUPAU-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO Fc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3C2)cc1 ZINC000096061807 402055682 /nfs/dbraw/zinc/05/56/82/402055682.db2.gz UEAPDSSBVUKVSB-UHFFFAOYSA-N 1 2 311.364 2.283 40 0 DEABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccccc1 ZINC000096068787 402056611 /nfs/dbraw/zinc/05/66/11/402056611.db2.gz SSGCQMJYCQTKDF-QGZVFWFLSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccccc1 ZINC000096068787 402056614 /nfs/dbraw/zinc/05/66/14/402056614.db2.gz SSGCQMJYCQTKDF-QGZVFWFLSA-N 1 2 312.417 2.434 40 0 DEABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253115 402075034 /nfs/dbraw/zinc/07/50/34/402075034.db2.gz VXHOSEDVJCEDTL-HLLBOEOZSA-N 1 2 318.392 2.084 40 0 DEABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253115 402075035 /nfs/dbraw/zinc/07/50/35/402075035.db2.gz VXHOSEDVJCEDTL-HLLBOEOZSA-N 1 2 318.392 2.084 40 0 DEABLO C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000068368553 402195536 /nfs/dbraw/zinc/19/55/36/402195536.db2.gz PFAFTNVJDWALAM-OAHLLOKOSA-N 1 2 302.418 2.391 40 0 DEABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@@H+](C(C)C)[C@H]2C1 ZINC000108534160 402256434 /nfs/dbraw/zinc/25/64/34/402256434.db2.gz BZASJCBCULBUAS-KBPBESRZSA-N 1 2 308.447 2.380 40 0 DEABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@H+](C(C)C)[C@H]2C1 ZINC000108534160 402256437 /nfs/dbraw/zinc/25/64/37/402256437.db2.gz BZASJCBCULBUAS-KBPBESRZSA-N 1 2 308.447 2.380 40 0 DEABLO Cc1cc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)n[nH]1 ZINC000071260625 402271406 /nfs/dbraw/zinc/27/14/06/402271406.db2.gz SNUYRVXXUCQEAB-UHFFFAOYSA-N 1 2 317.422 2.260 40 0 DEABLO CN(C)c1cc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)cc[nH+]1 ZINC000257324591 402712102 /nfs/dbraw/zinc/71/21/02/402712102.db2.gz WPJALBFNFALGHI-INIZCTEOSA-N 1 2 324.428 2.491 40 0 DEABLO Cc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000278162860 402861007 /nfs/dbraw/zinc/86/10/07/402861007.db2.gz UJRYJLDSPUBIIB-LSDHHAIUSA-N 1 2 314.389 2.290 40 0 DEABLO Cc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000278162860 402861010 /nfs/dbraw/zinc/86/10/10/402861010.db2.gz UJRYJLDSPUBIIB-LSDHHAIUSA-N 1 2 314.389 2.290 40 0 DEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1F ZINC000329068605 404219894 /nfs/dbraw/zinc/21/98/94/404219894.db2.gz YRAKFWXNZBJKMY-UHFFFAOYSA-N 1 2 316.380 2.183 40 0 DEABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c1 ZINC000328969051 404183850 /nfs/dbraw/zinc/18/38/50/404183850.db2.gz DCEWMHDZLJAHKU-UHFFFAOYSA-N 1 2 312.417 2.353 40 0 DEABLO CCNc1nc(Nc2ccc(OC)cc2OC)cc(C2CC2)[nH+]1 ZINC000329026526 404207731 /nfs/dbraw/zinc/20/77/31/404207731.db2.gz PMOUKMWNLYEJQT-UHFFFAOYSA-N 1 2 314.389 2.390 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000257201244 424889097 /nfs/dbraw/zinc/88/90/97/424889097.db2.gz AGWCBJMPVNACJR-QGZVFWFLSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C)cc1 ZINC000257201244 424889098 /nfs/dbraw/zinc/88/90/98/424889098.db2.gz AGWCBJMPVNACJR-QGZVFWFLSA-N 1 2 311.385 2.219 40 0 DEABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 ZINC000096245924 279083890 /nfs/dbraw/zinc/08/38/90/279083890.db2.gz VNKAFTOJVMKQEW-CABCVRRESA-N 1 2 314.414 2.226 40 0 DEABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 ZINC000096245924 279083892 /nfs/dbraw/zinc/08/38/92/279083892.db2.gz VNKAFTOJVMKQEW-CABCVRRESA-N 1 2 314.414 2.226 40 0 DEABLO Cc1ncccc1O[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1O ZINC000257315524 279169684 /nfs/dbraw/zinc/16/96/84/279169684.db2.gz VBUXXPMYTYTBQQ-HOCLYGCPSA-N 1 2 319.430 2.251 40 0 DEABLO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1O ZINC000257315524 279169689 /nfs/dbraw/zinc/16/96/89/279169689.db2.gz VBUXXPMYTYTBQQ-HOCLYGCPSA-N 1 2 319.430 2.251 40 0 DEABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)c1ccoc1)C2 ZINC000096044908 294467216 /nfs/dbraw/zinc/46/72/16/294467216.db2.gz LMENKWNRQBLHPD-AWEZNQCLSA-N 1 2 315.373 2.179 40 0 DEABLO CN(N)c1cc(I)c(C(F)(F)F)c[nH+]1 ZINC000199545528 563515385 /nfs/dbraw/zinc/51/53/85/563515385.db2.gz WXSAWMABHOCIGK-UHFFFAOYSA-N 1 2 317.052 2.015 40 0 DEABLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)c2ccco2)CC1 ZINC000079439283 185171567 /nfs/dbraw/zinc/17/15/67/185171567.db2.gz AKAZFBOSKRDBEM-UHFFFAOYSA-N 1 2 308.378 2.451 40 0 DEABLO Cc1nc([C@H]2C[N@H+](C)CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387682 191146738 /nfs/dbraw/zinc/14/67/38/191146738.db2.gz NOHHBDDIONQGHE-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1nc([C@H]2C[N@@H+](C)CCO2)cc(N(C)Cc2ccccc2)n1 ZINC000072387682 191146741 /nfs/dbraw/zinc/14/67/41/191146741.db2.gz NOHHBDDIONQGHE-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO CC[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NC)C1 ZINC000019702908 354045398 /nfs/dbraw/zinc/04/53/98/354045398.db2.gz FQUBPLGPXFUVHH-LLVKDONJSA-N 1 2 305.403 2.049 40 0 DEABLO CC[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NC)C1 ZINC000019702908 354045400 /nfs/dbraw/zinc/04/54/00/354045400.db2.gz FQUBPLGPXFUVHH-LLVKDONJSA-N 1 2 305.403 2.049 40 0 DEABLO Cc1ccccc1OC[C@]1(O)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585273226 357341372 /nfs/dbraw/zinc/34/13/72/357341372.db2.gz BFQCDPZDLRZVRN-KRWDZBQOSA-N 1 2 301.390 2.124 40 0 DEABLO Cc1ccccc1OC[C@]1(O)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585273226 357341378 /nfs/dbraw/zinc/34/13/78/357341378.db2.gz BFQCDPZDLRZVRN-KRWDZBQOSA-N 1 2 301.390 2.124 40 0 DEABLO Cc1cc(N2CCC[C@H]2c2cncc(-c3ncc[nH]3)n2)nc[nH+]1 ZINC000257297903 203022130 /nfs/dbraw/zinc/02/21/30/203022130.db2.gz RJHNYANZRVUSIU-AWEZNQCLSA-N 1 2 307.361 2.307 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cc(C)on3)CC[N@@H+]2C)cc1 ZINC000257307557 203031217 /nfs/dbraw/zinc/03/12/17/203031217.db2.gz SZFBNVFTLBMHPU-INIZCTEOSA-N 1 2 315.373 2.121 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cc(C)on3)CC[N@H+]2C)cc1 ZINC000257307557 203031220 /nfs/dbraw/zinc/03/12/20/203031220.db2.gz SZFBNVFTLBMHPU-INIZCTEOSA-N 1 2 315.373 2.121 40 0 DEABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 ZINC000257284425 203011525 /nfs/dbraw/zinc/01/15/25/203011525.db2.gz PCQZDIKVGSQBBH-SFHVURJKSA-N 1 2 312.417 2.308 40 0 DEABLO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 ZINC000257284425 203011530 /nfs/dbraw/zinc/01/15/30/203011530.db2.gz PCQZDIKVGSQBBH-SFHVURJKSA-N 1 2 312.417 2.308 40 0 DEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]1c1ccncn1 ZINC000257335167 203058633 /nfs/dbraw/zinc/05/86/33/203058633.db2.gz YIYBHKAJMIEFMR-HNNXBMFYSA-N 1 2 321.384 2.339 40 0 DEABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@H+](C)C3)cn2)s1 ZINC000257340858 203063506 /nfs/dbraw/zinc/06/35/06/203063506.db2.gz ZHUBHERTLIAMMR-SNVBAGLBSA-N 1 2 304.423 2.443 40 0 DEABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@@H+](C)C3)cn2)s1 ZINC000257340858 203063509 /nfs/dbraw/zinc/06/35/09/203063509.db2.gz ZHUBHERTLIAMMR-SNVBAGLBSA-N 1 2 304.423 2.443 40 0 DEABLO CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c(C)n1 ZINC000020349901 182210389 /nfs/dbraw/zinc/21/03/89/182210389.db2.gz CPMNCYRCJHJDFQ-UHFFFAOYSA-N 1 2 301.316 2.254 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCC3)[nH+]1 ZINC000257342809 291618572 /nfs/dbraw/zinc/61/85/72/291618572.db2.gz ZQGBAIIKSQBEMX-INIZCTEOSA-N 1 2 311.385 2.421 40 0 DEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000012116442 401779480 /nfs/dbraw/zinc/77/94/80/401779480.db2.gz GSPVWZDVRDAJFD-CQSZACIVSA-N 1 2 312.417 2.316 40 0 DEABLO O=C(NCCCCn1cc[nH+]c1)c1n[nH]c2c1CCCCC2 ZINC000012147246 401780630 /nfs/dbraw/zinc/78/06/30/401780630.db2.gz DYCLVZAFYOQWKK-UHFFFAOYSA-N 1 2 301.394 2.085 40 0 DEABLO C[C@@H]1CC(=O)[C@@H](C)CN1C/C=C/C[N@@H+]1C[C@H](C)C(=O)C[C@@H]1C ZINC000036507728 401905546 /nfs/dbraw/zinc/90/55/46/401905546.db2.gz AXZMGWWNXZUFCN-QEKYSWFISA-N 1 2 306.450 2.141 40 0 DEABLO C[C@@H]1CC(=O)[C@@H](C)CN1C/C=C/C[N@H+]1C[C@H](C)C(=O)C[C@@H]1C ZINC000036507728 401905548 /nfs/dbraw/zinc/90/55/48/401905548.db2.gz AXZMGWWNXZUFCN-QEKYSWFISA-N 1 2 306.450 2.141 40 0 DEABLO C[C@@H]1CC(=O)[C@@H](C)C[N@H+]1C/C=C/CN1C[C@H](C)C(=O)C[C@@H]1C ZINC000036507728 401905550 /nfs/dbraw/zinc/90/55/50/401905550.db2.gz AXZMGWWNXZUFCN-QEKYSWFISA-N 1 2 306.450 2.141 40 0 DEABLO C[C@@H]1CC(=O)[C@@H](C)C[N@@H+]1C/C=C/CN1C[C@H](C)C(=O)C[C@@H]1C ZINC000036507728 401905552 /nfs/dbraw/zinc/90/55/52/401905552.db2.gz AXZMGWWNXZUFCN-QEKYSWFISA-N 1 2 306.450 2.141 40 0 DEABLO COC[C@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ncn(C)c21 ZINC000096044781 402049418 /nfs/dbraw/zinc/04/94/18/402049418.db2.gz FTUYNHVCVBWQGH-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ncn(C)c21 ZINC000096044781 402049420 /nfs/dbraw/zinc/04/94/20/402049420.db2.gz FTUYNHVCVBWQGH-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1CN(C(=O)c2cc(C)cc(C)c2)Cc2[nH+]cn(C)c21 ZINC000096044767 402049967 /nfs/dbraw/zinc/04/99/67/402049967.db2.gz CYIZXCVTRGHHIG-OAHLLOKOSA-N 1 2 313.401 2.423 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060462 402054654 /nfs/dbraw/zinc/05/46/54/402054654.db2.gz WSCIETRYNRLQHV-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060462 402054657 /nfs/dbraw/zinc/05/46/57/402054657.db2.gz WSCIETRYNRLQHV-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO O=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073905 402057188 /nfs/dbraw/zinc/05/71/88/402057188.db2.gz BOHSFIKAHTYUKJ-GDBMZVCRSA-N 1 2 301.346 2.113 40 0 DEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc(C)o2)C1 ZINC000096208136 402069837 /nfs/dbraw/zinc/06/98/37/402069837.db2.gz KPYDDVWDIUWJHI-CYBMUJFWSA-N 1 2 303.362 2.093 40 0 DEABLO c1coc(C[N@@H+]2CCCn3cnc(CNc4ncccn4)c3C2)c1 ZINC000096259419 402075282 /nfs/dbraw/zinc/07/52/82/402075282.db2.gz SEHGIGGFPDEDOU-UHFFFAOYSA-N 1 2 324.388 2.284 40 0 DEABLO c1coc(C[N@H+]2CCCn3cnc(CNc4ncccn4)c3C2)c1 ZINC000096259419 402075286 /nfs/dbraw/zinc/07/52/86/402075286.db2.gz SEHGIGGFPDEDOU-UHFFFAOYSA-N 1 2 324.388 2.284 40 0 DEABLO c1coc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)c1 ZINC000067898255 402177953 /nfs/dbraw/zinc/17/79/53/402177953.db2.gz UEMCPTWRDGUNBT-UHFFFAOYSA-N 1 2 311.341 2.431 40 0 biogenic,in-vitro DEABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccoc1)C2 ZINC000247517279 402570787 /nfs/dbraw/zinc/57/07/87/402570787.db2.gz KFRGQQQTEFWEEJ-AWEZNQCLSA-N 1 2 318.348 2.484 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257210724 402703842 /nfs/dbraw/zinc/70/38/42/402703842.db2.gz BVWNFMKXEFGQFC-AWEZNQCLSA-N 1 2 319.430 2.297 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000257222485 402705209 /nfs/dbraw/zinc/70/52/09/402705209.db2.gz DTLVIXFZNQRGLO-GFCCVEGCSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1c[nH]nc1[C@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C1 ZINC000257246947 402708279 /nfs/dbraw/zinc/70/82/79/402708279.db2.gz IWRPTDAAJLMOHK-AWEZNQCLSA-N 1 2 323.400 2.233 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257331797 402712117 /nfs/dbraw/zinc/71/21/17/402712117.db2.gz XUHHNPMFHYLQHC-GFCCVEGCSA-N 1 2 302.378 2.470 40 0 DEABLO CCNc1nc(NC)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328977348 404187600 /nfs/dbraw/zinc/18/76/00/404187600.db2.gz FTHOXWNQGDKFCN-UHFFFAOYSA-N 1 2 312.295 2.360 40 0 DEABLO CCNc1nc(Nc2cc(OC)cc(OC)c2)cc(C2CC2)[nH+]1 ZINC000329036907 404208749 /nfs/dbraw/zinc/20/87/49/404208749.db2.gz RKZIQBOZFKPYKL-UHFFFAOYSA-N 1 2 314.389 2.390 40 0 DEABLO O=C(C1CC1)N1CC[C@]2(CCn3c(-c4ccncc4)c[nH+]c32)C1 ZINC000306129780 231086184 /nfs/dbraw/zinc/08/61/84/231086184.db2.gz IMRNCKCZKCBWQQ-SFHVURJKSA-N 1 2 308.385 2.229 40 0 DEABLO OCCNc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000328956373 231399195 /nfs/dbraw/zinc/39/91/95/231399195.db2.gz AFNUUNFADWSXJG-UHFFFAOYSA-N 1 2 322.771 2.138 40 0 DEABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)COC)n1 ZINC000072378905 191140421 /nfs/dbraw/zinc/14/04/21/191140421.db2.gz OOGITGADTHYWBT-AWEZNQCLSA-N 1 2 314.389 2.140 40 0 DEABLO CC(C)NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000072389598 191148358 /nfs/dbraw/zinc/14/83/58/191148358.db2.gz YJJCDTJIZMCVJT-ZDUSSCGKSA-N 1 2 300.406 2.314 40 0 DEABLO c1ccc(OC[C@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253602747 202903482 /nfs/dbraw/zinc/90/34/82/202903482.db2.gz RIMZLGKWRLOZKH-MRXNPFEDSA-N 1 2 311.385 2.147 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257272988 203001252 /nfs/dbraw/zinc/00/12/52/203001252.db2.gz NEUWSJVDJVGCER-ZDUSSCGKSA-N 1 2 318.446 2.360 40 0 DEABLO O=C(NCC[NH+]1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000019681255 182136089 /nfs/dbraw/zinc/13/60/89/182136089.db2.gz LIHQPWQOYHZGKQ-UHFFFAOYSA-N 1 2 317.311 2.159 40 0 DEABLO COc1ccccc1[C@H](NC(=O)c1ccccn1)c1[nH+]ccn1C ZINC000012114904 401779344 /nfs/dbraw/zinc/77/93/44/401779344.db2.gz GDRIXIASKRDXFK-INIZCTEOSA-N 1 2 322.368 2.343 40 0 DEABLO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622896 401900150 /nfs/dbraw/zinc/90/01/50/401900150.db2.gz PKPMAWHLBJUYDN-JQWIXIFHSA-N 1 2 302.296 2.112 40 0 DEABLO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622896 401900152 /nfs/dbraw/zinc/90/01/52/401900152.db2.gz PKPMAWHLBJUYDN-JQWIXIFHSA-N 1 2 302.296 2.112 40 0 DEABLO c1cnc(N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)nc1 ZINC000096207328 402069365 /nfs/dbraw/zinc/06/93/65/402069365.db2.gz BNNNMQRREPPEDG-RHSMWYFYSA-N 1 2 311.389 2.112 40 0 DEABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096187769 402066107 /nfs/dbraw/zinc/06/61/07/402066107.db2.gz GLGXGTORBWVFRF-ZDUSSCGKSA-N 1 2 324.384 2.283 40 0 DEABLO CC(C)(C)c1cc(CC2([NH2+]Cc3ccc(CO)o3)COC2)no1 ZINC000067897845 402177935 /nfs/dbraw/zinc/17/79/35/402177935.db2.gz MUZMUEDCVCQQFI-UHFFFAOYSA-N 1 2 320.389 2.159 40 0 biogenic,in-vitro DEABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccc(F)cc2)c[nH+]1 ZINC000224139978 402313711 /nfs/dbraw/zinc/31/37/11/402313711.db2.gz QWKAWZKKMIUOTR-UHFFFAOYSA-N 1 2 318.356 2.392 40 0 DEABLO c1coc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)c1 ZINC000247944743 402578534 /nfs/dbraw/zinc/57/85/34/402578534.db2.gz JMIBZYOKFIAGFY-MRXNPFEDSA-N 1 2 321.417 2.456 40 0 DEABLO CCO[C@@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248378212 402588371 /nfs/dbraw/zinc/58/83/71/402588371.db2.gz IVPGRZNDNCNIQT-CQSZACIVSA-N 1 2 305.374 2.185 40 0 DEABLO CCc1nnsc1C(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257215214 402703893 /nfs/dbraw/zinc/70/38/93/402703893.db2.gz CPDWCVGPWIXAGB-SNVBAGLBSA-N 1 2 305.407 2.152 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3nc(C)c[nH]3)C2)c[nH+]1 ZINC000257227979 402705794 /nfs/dbraw/zinc/70/57/94/402705794.db2.gz FRVWMLGIBZHXBM-CQSZACIVSA-N 1 2 303.410 2.357 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3nc(C)c[nH]3)C2)[nH+]1 ZINC000257227979 402705795 /nfs/dbraw/zinc/70/57/95/402705795.db2.gz FRVWMLGIBZHXBM-CQSZACIVSA-N 1 2 303.410 2.357 40 0 DEABLO COCCC(=O)N1CCC[C@@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257225373 402705820 /nfs/dbraw/zinc/70/58/20/402705820.db2.gz FFXLCKXPWDTZHV-CQSZACIVSA-N 1 2 301.390 2.385 40 0 DEABLO Cc1csc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257229512 402706341 /nfs/dbraw/zinc/70/63/41/402706341.db2.gz FYJMKZGMPTXLHR-YRGRVCCFSA-N 1 2 305.403 2.138 40 0 DEABLO COc1ccc(OCC(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257231568 402706348 /nfs/dbraw/zinc/70/63/48/402706348.db2.gz GHGSCVZZGRYNMJ-ZDUSSCGKSA-N 1 2 315.373 2.122 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257244485 402707536 /nfs/dbraw/zinc/70/75/36/402707536.db2.gz ILNXNMASNWLRDV-AWEZNQCLSA-N 1 2 301.394 2.101 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257331798 402711963 /nfs/dbraw/zinc/71/19/63/402711963.db2.gz XUHHNPMFHYLQHC-LBPRGKRZSA-N 1 2 302.378 2.470 40 0 DEABLO COC[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2c[nH+]cn21 ZINC000253613831 402670105 /nfs/dbraw/zinc/67/01/05/402670105.db2.gz OOLQZTJYUDMAFH-INIZCTEOSA-N 1 2 322.368 2.275 40 0 DEABLO CCn1nc(C)c(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1F ZINC000256051734 402700269 /nfs/dbraw/zinc/70/02/69/402700269.db2.gz KJMANDSJIVUFOP-UHFFFAOYSA-N 1 2 319.306 2.393 40 0 DEABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257200057 424888858 /nfs/dbraw/zinc/88/88/58/424888858.db2.gz ABWBCKWXHRVPQO-INIZCTEOSA-N 1 2 315.373 2.063 40 0 DEABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257200057 424888860 /nfs/dbraw/zinc/88/88/60/424888860.db2.gz ABWBCKWXHRVPQO-INIZCTEOSA-N 1 2 315.373 2.063 40 0 DEABLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@@]21COCC[NH2+]1 ZINC000306145428 277204682 /nfs/dbraw/zinc/20/46/82/277204682.db2.gz FDUKFWOQEIZLNS-INIZCTEOSA-N 1 2 306.362 2.241 40 0 DEABLO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1cccc[nH+]1 ZINC000096038561 280237590 /nfs/dbraw/zinc/23/75/90/280237590.db2.gz ORBFLQCFFQCZBZ-QWHCGFSZSA-N 1 2 300.387 2.032 40 0 DEABLO O=C(NC[C@H]1CCc2[nH+]cc(-c3ccsc3)n21)[C@H]1CCOC1 ZINC000306144119 231092319 /nfs/dbraw/zinc/09/23/19/231092319.db2.gz YWMYZAQZDBTEQG-WCQYABFASA-N 1 2 317.414 2.252 40 0 DEABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(C(C)(C)C)co1 ZINC000072322175 191121927 /nfs/dbraw/zinc/12/19/27/191121927.db2.gz XIEAQJHXPUHPKZ-LBPRGKRZSA-N 1 2 304.394 2.279 40 0 biogenic,in-vitro DEABLO c1[nH]c([C@@H]2COCC[N@H+]2C2CCOCC2)nc1-c1ccncc1 ZINC000072322062 191122016 /nfs/dbraw/zinc/12/20/16/191122016.db2.gz LDJKDUBLYOZDCS-INIZCTEOSA-N 1 2 314.389 2.024 40 0 biogenic,in-vitro DEABLO c1[nH]c([C@@H]2COCC[N@@H+]2C2CCOCC2)nc1-c1ccncc1 ZINC000072322062 191122018 /nfs/dbraw/zinc/12/20/18/191122018.db2.gz LDJKDUBLYOZDCS-INIZCTEOSA-N 1 2 314.389 2.024 40 0 biogenic,in-vitro DEABLO O=C(C1CCC1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355381 191129430 /nfs/dbraw/zinc/12/94/30/191129430.db2.gz ALYKCMVAKTZYQI-UHFFFAOYSA-N 1 2 311.389 2.168 40 0 DEABLO Cc1nc(NCc2ccc(F)cc2)cc([C@@H]2COCC[NH2+]2)n1 ZINC000072366357 191135662 /nfs/dbraw/zinc/13/56/62/191135662.db2.gz HFCXMDUQYVPHHI-HNNXBMFYSA-N 1 2 302.353 2.197 40 0 DEABLO Cc1nc(N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cc[nH+]1 ZINC000585279592 357343764 /nfs/dbraw/zinc/34/37/64/357343764.db2.gz VVQYYBANRURIOX-ZBFHGGJFSA-N 1 2 301.365 2.354 40 0 DEABLO COc1ccc([C@H]2C[N@H+](Cc3ccnc(C)n3)CCN2C)cc1 ZINC000257306602 203032289 /nfs/dbraw/zinc/03/22/89/203032289.db2.gz SUZUHDIPQKUCHD-GOSISDBHSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccc([C@H]2C[N@@H+](Cc3ccnc(C)n3)CCN2C)cc1 ZINC000257306602 203032291 /nfs/dbraw/zinc/03/22/91/203032291.db2.gz SUZUHDIPQKUCHD-GOSISDBHSA-N 1 2 312.417 2.282 40 0 DEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257292802 203017651 /nfs/dbraw/zinc/01/76/51/203017651.db2.gz QMZTXAQMGMMYPX-HNNXBMFYSA-N 1 2 322.372 2.358 40 0 DEABLO Cc1cnc([C@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)cn1 ZINC000257315508 203041489 /nfs/dbraw/zinc/04/14/89/203041489.db2.gz VBSHBFYOHWLONF-OAHLLOKOSA-N 1 2 301.394 2.136 40 0 DEABLO CCCCc1[nH]c(CN2CCOC[C@H]2c2nc(C)c[nH]2)c[nH+]1 ZINC000257320398 203045935 /nfs/dbraw/zinc/04/59/35/203045935.db2.gz VWQBLDGKIIMREI-AWEZNQCLSA-N 1 2 303.410 2.357 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257324871 203048830 /nfs/dbraw/zinc/04/88/30/203048830.db2.gz WQNPOQRQGIIHDT-GFCCVEGCSA-N 1 2 314.389 2.225 40 0 DEABLO C[NH+]1CCN(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000017054558 182072208 /nfs/dbraw/zinc/07/22/08/182072208.db2.gz GLCOINASNYPDNV-UHFFFAOYSA-N 1 2 318.368 2.154 40 0 DEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1ccnn1C ZINC000257227515 256618081 /nfs/dbraw/zinc/61/80/81/256618081.db2.gz FPRHXMZNKMBBEC-MRXNPFEDSA-N 1 2 323.400 2.382 40 0 DEABLO COc1cccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)c1 ZINC000095533543 257137969 /nfs/dbraw/zinc/13/79/69/257137969.db2.gz QSYSUZYJTNTAJH-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)c1 ZINC000095533543 257137971 /nfs/dbraw/zinc/13/79/71/257137971.db2.gz QSYSUZYJTNTAJH-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)c1 ZINC000095533543 257137972 /nfs/dbraw/zinc/13/79/72/257137972.db2.gz QSYSUZYJTNTAJH-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO Cc1ccc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1C ZINC000224348276 257233023 /nfs/dbraw/zinc/23/30/23/257233023.db2.gz MMHRIAUEMYSQPY-UHFFFAOYSA-N 1 2 313.405 2.478 40 0 DEABLO COc1ccc(OCCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000014396943 401811988 /nfs/dbraw/zinc/81/19/88/401811988.db2.gz BZHJPHZTOVQNQW-UHFFFAOYSA-N 1 2 317.389 2.257 40 0 DEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)co1 ZINC000096057944 402053692 /nfs/dbraw/zinc/05/36/92/402053692.db2.gz IUNMSLSLKAFEQI-RCCFBDPRSA-N 1 2 321.417 2.455 40 0 DEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)co1 ZINC000096057944 402053695 /nfs/dbraw/zinc/05/36/95/402053695.db2.gz IUNMSLSLKAFEQI-RCCFBDPRSA-N 1 2 321.417 2.455 40 0 DEABLO O=C(c1ccoc1)N1CCC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073902 402056758 /nfs/dbraw/zinc/05/67/58/402056758.db2.gz BOHSFIKAHTYUKJ-HOCLYGCPSA-N 1 2 301.346 2.113 40 0 DEABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@H+](Cc3cccs3)C2)c1 ZINC000096188539 402066885 /nfs/dbraw/zinc/06/68/85/402066885.db2.gz AVQCGJUKLUVHNS-AWEZNQCLSA-N 1 2 313.430 2.473 40 0 DEABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@@H+](Cc3cccs3)C2)c1 ZINC000096188539 402066887 /nfs/dbraw/zinc/06/68/87/402066887.db2.gz AVQCGJUKLUVHNS-AWEZNQCLSA-N 1 2 313.430 2.473 40 0 DEABLO O=C(C1CC1)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198982 402068341 /nfs/dbraw/zinc/06/83/41/402068341.db2.gz HRRVEJMJCXMUEQ-UHFFFAOYSA-N 1 2 308.385 2.235 40 0 DEABLO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217936 402140332 /nfs/dbraw/zinc/14/03/32/402140332.db2.gz YQQKMVQVOIJPHO-VXGBXAGGSA-N 1 2 318.421 2.420 40 0 DEABLO C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217933 402140368 /nfs/dbraw/zinc/14/03/68/402140368.db2.gz YQQKMVQVOIJPHO-NWDGAFQWSA-N 1 2 318.421 2.420 40 0 DEABLO O=C(NCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068367967 402195613 /nfs/dbraw/zinc/19/56/13/402195613.db2.gz NGNGQNIEPDSBDD-UHFFFAOYSA-N 1 2 310.397 2.449 40 0 DEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC2CC2)CS3)nc[nH+]1 ZINC000248131746 402583368 /nfs/dbraw/zinc/58/33/68/402583368.db2.gz QMMLXSJNWNSNLC-ZDUSSCGKSA-N 1 2 320.462 2.034 40 0 DEABLO CN(C)c1cc(N2CC3(C2)C[C@H](OCC2CC2)CS3)[nH+]cn1 ZINC000248131746 402583370 /nfs/dbraw/zinc/58/33/70/402583370.db2.gz QMMLXSJNWNSNLC-ZDUSSCGKSA-N 1 2 320.462 2.034 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257227411 402705413 /nfs/dbraw/zinc/70/54/13/402705413.db2.gz FPDBUQMNRDWLGO-LLVKDONJSA-N 1 2 309.366 2.035 40 0 DEABLO COCCC(=O)N1CCC[C@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257225372 402705615 /nfs/dbraw/zinc/70/56/15/402705615.db2.gz FFXLCKXPWDTZHV-AWEZNQCLSA-N 1 2 301.390 2.385 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257230073 402706308 /nfs/dbraw/zinc/70/63/08/402706308.db2.gz GARIGGIYUHMIQD-LLVKDONJSA-N 1 2 311.432 2.316 40 0 DEABLO CCCn1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257232487 402706317 /nfs/dbraw/zinc/70/63/17/402706317.db2.gz GLBLNBDQFQYKHG-KRWDZBQOSA-N 1 2 312.417 2.422 40 0 DEABLO CCCn1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257232487 402706321 /nfs/dbraw/zinc/70/63/21/402706321.db2.gz GLBLNBDQFQYKHG-KRWDZBQOSA-N 1 2 312.417 2.422 40 0 DEABLO O=C(c1ccnnc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257230174 402706485 /nfs/dbraw/zinc/70/64/85/402706485.db2.gz GBDUTLUIMJBQQS-OAHLLOKOSA-N 1 2 305.341 2.070 40 0 DEABLO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cnn3cccnc23)n1 ZINC000257267865 402710483 /nfs/dbraw/zinc/71/04/83/402710483.db2.gz MJCLRYDSFZPGKR-OAHLLOKOSA-N 1 2 323.404 2.288 40 0 DEABLO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cnn3cccnc23)n1 ZINC000257267865 402710485 /nfs/dbraw/zinc/71/04/85/402710485.db2.gz MJCLRYDSFZPGKR-OAHLLOKOSA-N 1 2 323.404 2.288 40 0 DEABLO Cc1cncc(O[C@@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000253601040 402669603 /nfs/dbraw/zinc/66/96/03/402669603.db2.gz HSHVENSGZZIDDR-CQSZACIVSA-N 1 2 315.373 2.190 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000329010265 404198701 /nfs/dbraw/zinc/19/87/01/404198701.db2.gz MAIFSFUUPVRXDR-VIFPVBQESA-N 1 2 320.343 2.012 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000257201243 424888740 /nfs/dbraw/zinc/88/87/40/424888740.db2.gz AGWCBJMPVNACJR-KRWDZBQOSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C)cc1 ZINC000257201243 424888741 /nfs/dbraw/zinc/88/87/41/424888741.db2.gz AGWCBJMPVNACJR-KRWDZBQOSA-N 1 2 311.385 2.219 40 0 DEABLO O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333892051 269001314 /nfs/dbraw/zinc/00/13/14/269001314.db2.gz YIVHMVRSWHUMRZ-YGRLFVJLSA-N 1 2 310.344 2.275 40 0 DEABLO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCCC[C@@H]1C)OCO2 ZINC000004355730 181101704 /nfs/dbraw/zinc/10/17/04/181101704.db2.gz LULPXNLMGSBWQQ-NSHDSACASA-N 1 2 318.373 2.431 40 0 DEABLO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C)OCO2 ZINC000004355730 181101705 /nfs/dbraw/zinc/10/17/05/181101705.db2.gz LULPXNLMGSBWQQ-NSHDSACASA-N 1 2 318.373 2.431 40 0 DEABLO CCc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CC(=O)NC)C2)cc1 ZINC000585111583 357335276 /nfs/dbraw/zinc/33/52/76/357335276.db2.gz CYROCKNPLYMWRF-KRWDZBQOSA-N 1 2 312.417 2.139 40 0 DEABLO CCc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CC(=O)NC)C2)cc1 ZINC000585111583 357335280 /nfs/dbraw/zinc/33/52/80/357335280.db2.gz CYROCKNPLYMWRF-KRWDZBQOSA-N 1 2 312.417 2.139 40 0 DEABLO Cc1[nH+]c([C@@H]2CCN(C(=O)c3cnccn3)C2)c2sccn12 ZINC000257307209 203033076 /nfs/dbraw/zinc/03/30/76/203033076.db2.gz SXQYAMSKJUQZPL-LLVKDONJSA-N 1 2 313.386 2.124 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1cnccn1 ZINC000257283500 203010577 /nfs/dbraw/zinc/01/05/77/203010577.db2.gz OYPNITHUPQBRBE-KRWDZBQOSA-N 1 2 321.384 2.498 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257294816 203019634 /nfs/dbraw/zinc/01/96/34/203019634.db2.gz QVVSNYJXSUYWTP-LBPRGKRZSA-N 1 2 309.373 2.235 40 0 DEABLO Cc1cc(C)nc(N2CCC[C@@H]2c2nccnc2-n2cc[nH+]c2)n1 ZINC000257313085 203035843 /nfs/dbraw/zinc/03/58/43/203035843.db2.gz UQZUHQASNRFACZ-CQSZACIVSA-N 1 2 321.388 2.411 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3c(s2)CCC3)[nH+]1 ZINC000257344748 291619054 /nfs/dbraw/zinc/61/90/54/291619054.db2.gz ZYNMIUBUGAWOTC-LBPRGKRZSA-N 1 2 317.414 2.482 40 0 DEABLO CC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000273840798 211103550 /nfs/dbraw/zinc/10/35/50/211103550.db2.gz GVYXQCGRXFJLLM-MRXNPFEDSA-N 1 2 312.417 2.455 40 0 DEABLO CC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000273840798 211103556 /nfs/dbraw/zinc/10/35/56/211103556.db2.gz GVYXQCGRXFJLLM-MRXNPFEDSA-N 1 2 312.417 2.455 40 0 DEABLO C[C@@H]1CCCC[N@@H+]1CN1C(=S)SC2=NC(=O)CCCN21 ZINC000023153911 296312258 /nfs/dbraw/zinc/31/22/58/296312258.db2.gz SLDGIUCEYJFLOO-SNVBAGLBSA-N 1 2 312.464 2.045 40 0 DEABLO C[C@@H]1CCCC[N@H+]1CN1C(=S)SC2=NC(=O)CCCN21 ZINC000023153911 296312260 /nfs/dbraw/zinc/31/22/60/296312260.db2.gz SLDGIUCEYJFLOO-SNVBAGLBSA-N 1 2 312.464 2.045 40 0 DEABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288371 257216337 /nfs/dbraw/zinc/21/63/37/257216337.db2.gz BIVQVVZGBAHTBR-RYUDHWBXSA-N 1 2 317.389 2.157 40 0 biogenic,in-vitro DEABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288371 257216338 /nfs/dbraw/zinc/21/63/38/257216338.db2.gz BIVQVVZGBAHTBR-RYUDHWBXSA-N 1 2 317.389 2.157 40 0 biogenic,in-vitro DEABLO C[NH+]1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000113932998 401787855 /nfs/dbraw/zinc/78/78/55/401787855.db2.gz QLQQDWKUIJFYRZ-UHFFFAOYSA-N 1 2 316.829 2.486 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096041858 402048738 /nfs/dbraw/zinc/04/87/38/402048738.db2.gz WDSYEINIICHFND-ZMSDIMECSA-N 1 2 300.358 2.485 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096041858 402048740 /nfs/dbraw/zinc/04/87/40/402048740.db2.gz WDSYEINIICHFND-ZMSDIMECSA-N 1 2 300.358 2.485 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060364 402054971 /nfs/dbraw/zinc/05/49/71/402054971.db2.gz BLBLWEBVWZPATI-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060364 402054973 /nfs/dbraw/zinc/05/49/73/402054973.db2.gz BLBLWEBVWZPATI-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953739 402133799 /nfs/dbraw/zinc/13/37/99/402133799.db2.gz GDRXISIIMIPRTM-YESZJQIVSA-N 1 2 300.358 2.485 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000097953739 402133802 /nfs/dbraw/zinc/13/38/02/402133802.db2.gz GDRXISIIMIPRTM-YESZJQIVSA-N 1 2 300.358 2.485 40 0 DEABLO CNc1cc([C@H]2CCCN2C(=O)CCc2ccnn2C)cc[nH+]1 ZINC000257218648 402704563 /nfs/dbraw/zinc/70/45/63/402704563.db2.gz DDYVLQYZDFOKEI-OAHLLOKOSA-N 1 2 313.405 2.153 40 0 DEABLO CC1(c2nccs2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000257242724 402707426 /nfs/dbraw/zinc/70/74/26/402707426.db2.gz IDVSPILCNXGZAH-UHFFFAOYSA-N 1 2 304.419 2.310 40 0 DEABLO CCC(=O)N1CCC[C@@H](c2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257241563 402707774 /nfs/dbraw/zinc/70/77/74/402707774.db2.gz HYOCCXHPJNDDRX-CYBMUJFWSA-N 1 2 313.405 2.302 40 0 DEABLO Clc1ccccc1OCCc1cc([C@H]2C[NH2+]CCO2)n[nH]1 ZINC000257248666 402708435 /nfs/dbraw/zinc/70/84/35/402708435.db2.gz JESBNHYTAMSFRF-OAHLLOKOSA-N 1 2 307.781 2.346 40 0 DEABLO CO[C@@H]1C[C@H]2CN(C(=O)Cc3c(C)[nH+]c4ccccn43)C[C@H]2C1 ZINC000257250175 402709051 /nfs/dbraw/zinc/70/90/51/402709051.db2.gz JLJIUVUHAVLOBO-FICVDOATSA-N 1 2 313.401 2.069 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2ccccc2F)[nH+]1 ZINC000257252154 402709061 /nfs/dbraw/zinc/70/90/61/402709061.db2.gz JTSWVCJMLFXJGI-OAHLLOKOSA-N 1 2 317.364 2.390 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257261523 402710126 /nfs/dbraw/zinc/71/01/26/402710126.db2.gz LHSCEENFWCAYHH-HNNXBMFYSA-N 1 2 315.421 2.030 40 0 DEABLO CN(C)c1cc([C@H]2CCCN2C(=O)C2CCOCC2)cc[nH+]1 ZINC000257205014 402702313 /nfs/dbraw/zinc/70/23/13/402702313.db2.gz AXFWKKXARVDIMQ-OAHLLOKOSA-N 1 2 303.406 2.238 40 0 DEABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c1C ZINC000329043039 404212520 /nfs/dbraw/zinc/21/25/20/404212520.db2.gz SPUHOSLZADKTSY-GFCCVEGCSA-N 1 2 312.417 2.351 40 0 DEABLO CCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329004363 404197348 /nfs/dbraw/zinc/19/73/48/404197348.db2.gz KRVJHJIVMXDDTI-UHFFFAOYSA-N 1 2 319.412 2.469 40 0 DEABLO OCCCNc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000329026652 424902837 /nfs/dbraw/zinc/90/28/37/424902837.db2.gz POLQKAMINCXPNN-UHFFFAOYSA-N 1 2 300.362 2.598 40 0 DEABLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cc(C(F)(F)F)n[nH]1 ZINC001548453697 1072647678 /nfs/dbraw/zinc/64/76/78/1072647678.db2.gz GHMMUNORIQSEAG-UHFFFAOYSA-N 1 2 313.283 2.143 40 0 DEABLO OCCNc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328974925 231403491 /nfs/dbraw/zinc/40/34/91/231403491.db2.gz FHZYALXCGQYZRF-UHFFFAOYSA-N 1 2 322.771 2.138 40 0 DEABLO COc1c2c(cc3c1C[N@H+](Cc1ccccc1)C[C@H]3O)OCO2 ZINC000095470443 185372629 /nfs/dbraw/zinc/37/26/29/185372629.db2.gz XWOIXVFLYTXVRQ-OAHLLOKOSA-N 1 2 313.353 2.473 40 0 DEABLO COc1c2c(cc3c1C[N@@H+](Cc1ccccc1)C[C@H]3O)OCO2 ZINC000095470443 185372630 /nfs/dbraw/zinc/37/26/30/185372630.db2.gz XWOIXVFLYTXVRQ-OAHLLOKOSA-N 1 2 313.353 2.473 40 0 DEABLO CC[NH+]1CCN(C(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1 ZINC000004907803 181171735 /nfs/dbraw/zinc/17/17/35/181171735.db2.gz RVCPDFLSWUPAAC-UHFFFAOYSA-N 1 2 314.389 2.006 40 0 DEABLO CN(C)c1nccnc1[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257299542 203022239 /nfs/dbraw/zinc/02/22/39/203022239.db2.gz RQLQFVYEVDRWMW-CYBMUJFWSA-N 1 2 304.419 2.178 40 0 DEABLO CN(C)c1nccnc1[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257299542 203022243 /nfs/dbraw/zinc/02/22/43/203022243.db2.gz RQLQFVYEVDRWMW-CYBMUJFWSA-N 1 2 304.419 2.178 40 0 DEABLO COCC(=O)N1CCC[C@](C)(c2[nH+]c(C)n3ccsc23)C1 ZINC000257308480 203032166 /nfs/dbraw/zinc/03/21/66/203032166.db2.gz TWWIFBUMUJRQKG-HNNXBMFYSA-N 1 2 307.419 2.231 40 0 DEABLO CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)on1 ZINC000257308811 203033848 /nfs/dbraw/zinc/03/38/48/203033848.db2.gz TYEWUISKOKLTSM-GFCCVEGCSA-N 1 2 302.378 2.299 40 0 DEABLO COc1ccc(OCC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257289521 203015753 /nfs/dbraw/zinc/01/57/53/203015753.db2.gz PYZQWMBWTQJNGV-HNNXBMFYSA-N 1 2 315.373 2.469 40 0 DEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]1c1ccncn1 ZINC000257335168 203057771 /nfs/dbraw/zinc/05/77/71/203057771.db2.gz YIYBHKAJMIEFMR-OAHLLOKOSA-N 1 2 321.384 2.339 40 0 DEABLO Cc1cccc(C[N@H+]2CCc3nc4ccccc4c(=O)n3CC2)n1 ZINC000019236324 182110965 /nfs/dbraw/zinc/11/09/65/182110965.db2.gz YOZZLCQOIRXDNQ-UHFFFAOYSA-N 1 2 320.396 2.158 40 0 DEABLO Cc1cccc(C[N@@H+]2CCc3nc4ccccc4c(=O)n3CC2)n1 ZINC000019236324 182110968 /nfs/dbraw/zinc/11/09/68/182110968.db2.gz YOZZLCQOIRXDNQ-UHFFFAOYSA-N 1 2 320.396 2.158 40 0 DEABLO Cc1ccc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c(C)c1 ZINC000224348197 257232980 /nfs/dbraw/zinc/23/29/80/257232980.db2.gz WDGDEHVUSONLDG-UHFFFAOYSA-N 1 2 313.405 2.478 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107837 402059662 /nfs/dbraw/zinc/05/96/62/402059662.db2.gz KZAVCEUDFIWKRS-WBVHZDCISA-N 1 2 315.373 2.190 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107837 402059665 /nfs/dbraw/zinc/05/96/65/402059665.db2.gz KZAVCEUDFIWKRS-WBVHZDCISA-N 1 2 315.373 2.190 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)o1 ZINC000096049130 402050622 /nfs/dbraw/zinc/05/06/22/402050622.db2.gz AAZRVBBONAIMEP-SFHVURJKSA-N 1 2 320.433 2.437 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)o1 ZINC000096049130 402050624 /nfs/dbraw/zinc/05/06/24/402050624.db2.gz AAZRVBBONAIMEP-SFHVURJKSA-N 1 2 320.433 2.437 40 0 DEABLO CCOC[C@@H]1C[N@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000096068292 402056193 /nfs/dbraw/zinc/05/61/93/402056193.db2.gz KZZQOQMXMXNTQP-ZDUSSCGKSA-N 1 2 306.435 2.321 40 0 DEABLO CCOC[C@@H]1C[N@@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000096068292 402056194 /nfs/dbraw/zinc/05/61/94/402056194.db2.gz KZZQOQMXMXNTQP-ZDUSSCGKSA-N 1 2 306.435 2.321 40 0 DEABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2cccs2)C1 ZINC000096208033 402069859 /nfs/dbraw/zinc/06/98/59/402069859.db2.gz CBZHYTHHOHSRCA-CYBMUJFWSA-N 1 2 319.430 2.182 40 0 DEABLO CC(C)(C)C(=O)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056997419 402092037 /nfs/dbraw/zinc/09/20/37/402092037.db2.gz KMLMPPWMZRHIQF-UHFFFAOYSA-N 1 2 307.413 2.110 40 0 DEABLO O=C(c1cnccn1)N1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096158196 402063472 /nfs/dbraw/zinc/06/34/72/402063472.db2.gz JFJFGMBXYHJFBJ-GOSISDBHSA-N 1 2 323.400 2.004 40 0 DEABLO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1cccc[nH+]1 ZINC000107709531 402239079 /nfs/dbraw/zinc/23/90/79/402239079.db2.gz ORBFLQCFFQCZBZ-CHWSQXEVSA-N 1 2 300.387 2.032 40 0 DEABLO NC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000257215155 402703946 /nfs/dbraw/zinc/70/39/46/402703946.db2.gz COYFGEHBCILTHS-SFHVURJKSA-N 1 2 322.368 2.199 40 0 DEABLO NC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000257215155 402703947 /nfs/dbraw/zinc/70/39/47/402703947.db2.gz COYFGEHBCILTHS-SFHVURJKSA-N 1 2 322.368 2.199 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257224099 402705123 /nfs/dbraw/zinc/70/51/23/402705123.db2.gz FAHPMXYDAKPLAN-AWEZNQCLSA-N 1 2 323.400 2.474 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)on1 ZINC000257237301 402707048 /nfs/dbraw/zinc/70/70/48/402707048.db2.gz HFXAOBGNTYIBDK-ZDUSSCGKSA-N 1 2 318.377 2.021 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257259529 402709948 /nfs/dbraw/zinc/70/99/48/402709948.db2.gz KYTQQKOGZSTCIQ-GFCCVEGCSA-N 1 2 315.421 2.379 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000257260594 402710012 /nfs/dbraw/zinc/71/00/12/402710012.db2.gz LDNBZOTUZONXRM-CYBMUJFWSA-N 1 2 309.366 2.383 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH+]1 ZINC000257331084 402712188 /nfs/dbraw/zinc/71/21/88/402712188.db2.gz XRHHMPMJAPANIC-OAHLLOKOSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257202469 402702310 /nfs/dbraw/zinc/70/23/10/402702310.db2.gz ALYUVIDSYIAKSR-LLVKDONJSA-N 1 2 311.432 2.348 40 0 DEABLO COc1ccc(F)cc1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257307879 295149614 /nfs/dbraw/zinc/14/96/14/295149614.db2.gz TULWEQZOHRSRFB-ZDUSSCGKSA-N 1 2 319.336 2.080 40 0 DEABLO CCOC[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000253384523 186302201 /nfs/dbraw/zinc/30/22/01/186302201.db2.gz PDDLKNJXTPVGOE-SFHVURJKSA-N 1 2 315.417 2.493 40 0 DEABLO CCOC[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000253384523 186302203 /nfs/dbraw/zinc/30/22/03/186302203.db2.gz PDDLKNJXTPVGOE-SFHVURJKSA-N 1 2 315.417 2.493 40 0 DEABLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072379436 191140304 /nfs/dbraw/zinc/14/03/04/191140304.db2.gz RKBCBNSXFDEFPL-AWEZNQCLSA-N 1 2 316.792 2.419 40 0 DEABLO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072379436 191140305 /nfs/dbraw/zinc/14/03/05/191140305.db2.gz RKBCBNSXFDEFPL-AWEZNQCLSA-N 1 2 316.792 2.419 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)Cc2ccnn21 ZINC000585111879 357335206 /nfs/dbraw/zinc/33/52/06/357335206.db2.gz ICGCUXORRQLIJK-OAHLLOKOSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccnn21 ZINC000585111879 357335210 /nfs/dbraw/zinc/33/52/10/357335210.db2.gz ICGCUXORRQLIJK-OAHLLOKOSA-N 1 2 318.808 2.230 40 0 DEABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585111774 357335613 /nfs/dbraw/zinc/33/56/13/357335613.db2.gz BQJHKPHVXFHWOV-KRWDZBQOSA-N 1 2 324.428 2.356 40 0 DEABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585111774 357335617 /nfs/dbraw/zinc/33/56/17/357335617.db2.gz BQJHKPHVXFHWOV-KRWDZBQOSA-N 1 2 324.428 2.356 40 0 DEABLO O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000585182445 357339818 /nfs/dbraw/zinc/33/98/18/357339818.db2.gz WAMNCWLDNCHTHI-CQSZACIVSA-N 1 2 308.341 2.412 40 0 DEABLO CCc1[nH+]ccn1-c1ccc(C(=O)N(C)C2CCOCC2)cn1 ZINC000257250372 202982448 /nfs/dbraw/zinc/98/24/48/202982448.db2.gz JMGVQAXASOLOTM-UHFFFAOYSA-N 1 2 314.389 2.081 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257299548 203023126 /nfs/dbraw/zinc/02/31/26/203023126.db2.gz RQMGEALWZNVEPJ-GFCCVEGCSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1nc(N2CCC[C@@H]2c2nccnc2-c2nccn2C)cc[nH+]1 ZINC000257312445 203035804 /nfs/dbraw/zinc/03/58/04/203035804.db2.gz UNZKCUCJRSNUGL-CYBMUJFWSA-N 1 2 321.388 2.317 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257293412 203019201 /nfs/dbraw/zinc/01/92/01/203019201.db2.gz QPJMTRRIBFXOQN-GFCCVEGCSA-N 1 2 313.357 2.119 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257335783 203058667 /nfs/dbraw/zinc/05/86/67/203058667.db2.gz YLVVUOCPXDYZEP-CQSZACIVSA-N 1 2 324.388 2.355 40 0 DEABLO CCn1cc(NC(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000022998020 182344256 /nfs/dbraw/zinc/34/42/56/182344256.db2.gz MCAHMPOSHFHEFS-UHFFFAOYSA-N 1 2 316.405 2.115 40 0 DEABLO CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)c(C)[nH+]2)CC1 ZINC000072224775 257123759 /nfs/dbraw/zinc/12/37/59/257123759.db2.gz WNEJSLYXTQHSMI-UHFFFAOYSA-N 1 2 323.396 2.290 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccncc2)CC[N@@H+]1C ZINC000036132100 401903166 /nfs/dbraw/zinc/90/31/66/401903166.db2.gz SJGHRVUEABUZSU-INIZCTEOSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccncc2)CC[N@H+]1C ZINC000036132100 401903167 /nfs/dbraw/zinc/90/31/67/401903167.db2.gz SJGHRVUEABUZSU-INIZCTEOSA-N 1 2 311.385 2.219 40 0 DEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)co1 ZINC000096041679 402048981 /nfs/dbraw/zinc/04/89/81/402048981.db2.gz QQRTWOXFNNNPDD-GVDBMIGSSA-N 1 2 300.358 2.485 40 0 DEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)co1 ZINC000096041679 402048985 /nfs/dbraw/zinc/04/89/85/402048985.db2.gz QQRTWOXFNNNPDD-GVDBMIGSSA-N 1 2 300.358 2.485 40 0 DEABLO CCn1ncc2c1C[N@H+](Cc1scnc1C)C[C@@H]2COC ZINC000096044589 402049646 /nfs/dbraw/zinc/04/96/46/402049646.db2.gz LEEOAZYRCLAASC-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1ncc2c1C[N@@H+](Cc1scnc1C)C[C@@H]2COC ZINC000096044589 402049648 /nfs/dbraw/zinc/04/96/48/402049648.db2.gz LEEOAZYRCLAASC-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)no1 ZINC000096046339 402050177 /nfs/dbraw/zinc/05/01/77/402050177.db2.gz OXAKLANVCJIESQ-VBNZEHGJSA-N 1 2 300.362 2.125 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)no1 ZINC000096046339 402050180 /nfs/dbraw/zinc/05/01/80/402050180.db2.gz OXAKLANVCJIESQ-VBNZEHGJSA-N 1 2 300.362 2.125 40 0 DEABLO Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1nccs1)C2 ZINC000096058490 402054128 /nfs/dbraw/zinc/05/41/28/402054128.db2.gz ZFCDPWYYRIJTES-KGLIPLIRSA-N 1 2 318.446 2.454 40 0 DEABLO Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nccs1)C2 ZINC000096058490 402054130 /nfs/dbraw/zinc/05/41/30/402054130.db2.gz ZFCDPWYYRIJTES-KGLIPLIRSA-N 1 2 318.446 2.454 40 0 DEABLO Cc1nc(C[N@H+]2CCC3(CN(Cc4cccn4C)C3)C2)cs1 ZINC000096202521 402069074 /nfs/dbraw/zinc/06/90/74/402069074.db2.gz NCRDTHCNVFQTFH-UHFFFAOYSA-N 1 2 316.474 2.498 40 0 DEABLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4cccn4C)C3)C2)cs1 ZINC000096202521 402069076 /nfs/dbraw/zinc/06/90/76/402069076.db2.gz NCRDTHCNVFQTFH-UHFFFAOYSA-N 1 2 316.474 2.498 40 0 DEABLO COCCN1CC[N@H+](Cc2ccco2)Cc2ccc(C)nc21 ZINC000096199021 402068037 /nfs/dbraw/zinc/06/80/37/402068037.db2.gz QVJRTOWVPICFSN-UHFFFAOYSA-N 1 2 301.390 2.452 40 0 DEABLO COCCN1CC[N@@H+](Cc2ccco2)Cc2ccc(C)nc21 ZINC000096199021 402068039 /nfs/dbraw/zinc/06/80/39/402068039.db2.gz QVJRTOWVPICFSN-UHFFFAOYSA-N 1 2 301.390 2.452 40 0 DEABLO CC(C)c1ccccc1O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000216449547 402288690 /nfs/dbraw/zinc/28/86/90/402288690.db2.gz OHXXJHMYVIWGJU-OAHLLOKOSA-N 1 2 320.433 2.026 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cc1 ZINC000248091805 402582082 /nfs/dbraw/zinc/58/20/82/402582082.db2.gz HFTGVZWRZRFYGJ-MRXNPFEDSA-N 1 2 311.385 2.289 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)nc1 ZINC000248120272 402582877 /nfs/dbraw/zinc/58/28/77/402582877.db2.gz UYWVYHFUWPCIFZ-OAHLLOKOSA-N 1 2 311.385 2.147 40 0 DEABLO Cc1c[nH]nc1[C@H]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257211892 402703552 /nfs/dbraw/zinc/70/35/52/402703552.db2.gz CAYPZAFEOCQVLU-AWEZNQCLSA-N 1 2 323.400 2.392 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)[nH+]1 ZINC000257219629 402704478 /nfs/dbraw/zinc/70/44/78/402704478.db2.gz DHMINMHCBUDCMC-LBPRGKRZSA-N 1 2 300.362 2.065 40 0 DEABLO Cc1cc(N2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)nc[nH+]1 ZINC000257226460 402705507 /nfs/dbraw/zinc/70/55/07/402705507.db2.gz FKRQSILZNVTKGW-AWEZNQCLSA-N 1 2 307.361 2.307 40 0 DEABLO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C)C1 ZINC000257231963 402706449 /nfs/dbraw/zinc/70/64/49/402706449.db2.gz GIVMAGLODBWINU-CQSZACIVSA-N 1 2 315.421 2.273 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)[nH+]1 ZINC000257241335 402707473 /nfs/dbraw/zinc/70/74/73/402707473.db2.gz HXRUAWWOMIIYIP-AWEZNQCLSA-N 1 2 316.405 2.282 40 0 DEABLO CC(C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329065703 404217962 /nfs/dbraw/zinc/21/79/62/404217962.db2.gz XTZFXVIPLGWDRA-UHFFFAOYSA-N 1 2 312.373 2.490 40 0 DEABLO CNc1nc(Nc2cc(OC)cc(OC)c2)cc(C2CC2)[nH+]1 ZINC000328995214 404193953 /nfs/dbraw/zinc/19/39/53/404193953.db2.gz JHEZSMQFMFYDHG-UHFFFAOYSA-N 1 2 300.362 2.000 40 0 DEABLO CNc1nc(NCc2ccc(C)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329023909 404206228 /nfs/dbraw/zinc/20/62/28/404206228.db2.gz OWHNVRVYLYKQQR-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH+]1 ZINC000257201273 424889094 /nfs/dbraw/zinc/88/90/94/424889094.db2.gz AGZQONWEFJHEEQ-HNNXBMFYSA-N 1 2 322.372 2.481 40 0 DEABLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@]21COCC[NH2+]1 ZINC000306145429 275830327 /nfs/dbraw/zinc/83/03/27/275830327.db2.gz FDUKFWOQEIZLNS-MRXNPFEDSA-N 1 2 306.362 2.241 40 0 DEABLO O=C1N(c2ccccc2)C[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000077266510 280276689 /nfs/dbraw/zinc/27/66/89/280276689.db2.gz XKZYNFGJGVWNIN-QGZVFWFLSA-N 1 2 308.385 2.208 40 0 biogenic,in-vitro DEABLO O=C1N(c2ccccc2)C[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000077266510 280276693 /nfs/dbraw/zinc/27/66/93/280276693.db2.gz XKZYNFGJGVWNIN-QGZVFWFLSA-N 1 2 308.385 2.208 40 0 biogenic,in-vitro DEABLO CCOC[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000253384522 186302291 /nfs/dbraw/zinc/30/22/91/186302291.db2.gz PDDLKNJXTPVGOE-GOSISDBHSA-N 1 2 315.417 2.493 40 0 DEABLO CCOC[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000253384522 186302292 /nfs/dbraw/zinc/30/22/92/186302292.db2.gz PDDLKNJXTPVGOE-GOSISDBHSA-N 1 2 315.417 2.493 40 0 DEABLO CC(=O)Nc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cs1 ZINC000072368023 191136555 /nfs/dbraw/zinc/13/65/55/191136555.db2.gz QLQZVVVNOKBDJD-NSHDSACASA-N 1 2 305.407 2.204 40 0 DEABLO CC(=O)Nc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cs1 ZINC000072368023 191136557 /nfs/dbraw/zinc/13/65/57/191136557.db2.gz QLQZVVVNOKBDJD-NSHDSACASA-N 1 2 305.407 2.204 40 0 DEABLO CC(=O)Nc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cs1 ZINC000072368023 191136559 /nfs/dbraw/zinc/13/65/59/191136559.db2.gz QLQZVVVNOKBDJD-NSHDSACASA-N 1 2 305.407 2.204 40 0 DEABLO C[C@@H](C[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000096515877 295886213 /nfs/dbraw/zinc/88/62/13/295886213.db2.gz NSFWBEIRQCRGIL-VIFPVBQESA-N 1 2 306.225 2.173 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2Cl)Cc2ccnn21 ZINC000585112560 357335519 /nfs/dbraw/zinc/33/55/19/357335519.db2.gz RJNAQLRCUTYOOW-AWEZNQCLSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2Cl)Cc2ccnn21 ZINC000585112560 357335524 /nfs/dbraw/zinc/33/55/24/357335524.db2.gz RJNAQLRCUTYOOW-AWEZNQCLSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2cc(C)cc(C)c2)Cc2ccnn21 ZINC000585112648 357335655 /nfs/dbraw/zinc/33/56/55/357335655.db2.gz SPUWZLUXYQTDCI-KRWDZBQOSA-N 1 2 312.417 2.193 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2)Cc2ccnn21 ZINC000585112648 357335659 /nfs/dbraw/zinc/33/56/59/357335659.db2.gz SPUWZLUXYQTDCI-KRWDZBQOSA-N 1 2 312.417 2.193 40 0 DEABLO Cc1ccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3ccn[nH]3)[C@H]2O)cc1 ZINC000585286567 357344292 /nfs/dbraw/zinc/34/42/92/357344292.db2.gz LUDWJTNOKNLWTP-ZTFGCOKTSA-N 1 2 315.417 2.416 40 0 DEABLO COc1ccc(F)cc1C(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257254381 202985355 /nfs/dbraw/zinc/98/53/55/202985355.db2.gz KCUWTBQCDRMOND-LLVKDONJSA-N 1 2 303.337 2.496 40 0 DEABLO CCOc1ncccc1C(=O)N1CCC[C@@H]1c1[nH+]c(C)cn1C ZINC000257298714 203023872 /nfs/dbraw/zinc/02/38/72/203023872.db2.gz RMZCDIJSEATVGS-CQSZACIVSA-N 1 2 314.389 2.500 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257321712 203044901 /nfs/dbraw/zinc/04/49/01/203044901.db2.gz WCWKGRNCGORIRT-JTQLQIEISA-N 1 2 308.769 2.308 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2CCOc2ccc(F)cc2)[nH+]1 ZINC000257335887 203058765 /nfs/dbraw/zinc/05/87/65/203058765.db2.gz YMHLGXYZXPLUKI-HNNXBMFYSA-N 1 2 305.353 2.310 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)[nH+]1 ZINC000257339510 203062340 /nfs/dbraw/zinc/06/23/40/203062340.db2.gz ZCAPKHWUZBSGQX-HNNXBMFYSA-N 1 2 324.388 2.217 40 0 DEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)nc1 ZINC000096042117 256554296 /nfs/dbraw/zinc/55/42/96/256554296.db2.gz HXUFKNFYHNXYON-OKZBNKHCSA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)nc1 ZINC000096042117 256554298 /nfs/dbraw/zinc/55/42/98/256554298.db2.gz HXUFKNFYHNXYON-OKZBNKHCSA-N 1 2 311.385 2.287 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N)[nH+]c2)cc1 ZINC000072212372 257127569 /nfs/dbraw/zinc/12/75/69/257127569.db2.gz STGIZCLJRDVWEI-HNNXBMFYSA-N 1 2 317.414 2.498 40 0 DEABLO Cc1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000026781080 292168187 /nfs/dbraw/zinc/16/81/87/292168187.db2.gz DIGUDIALSBNZQH-OAHLLOKOSA-N 1 2 307.434 2.364 40 0 DEABLO CCc1ncc(C[N@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072343306 401708918 /nfs/dbraw/zinc/70/89/18/401708918.db2.gz ABDJZTMBWZEERC-JKSUJKDBSA-N 1 2 308.385 2.274 40 0 DEABLO CCc1ncc(C[N@@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072343306 401708920 /nfs/dbraw/zinc/70/89/20/401708920.db2.gz ABDJZTMBWZEERC-JKSUJKDBSA-N 1 2 308.385 2.274 40 0 DEABLO COc1ccc(NC(=S)NCCCn2cc[nH+]c2)c(OC)c1 ZINC000013679611 401802870 /nfs/dbraw/zinc/80/28/70/401802870.db2.gz SGQVMDKCGLZQOU-UHFFFAOYSA-N 1 2 320.418 2.277 40 0 DEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000012666456 401789598 /nfs/dbraw/zinc/78/95/98/401789598.db2.gz UCVFJOAJCRQYBS-UHFFFAOYSA-N 1 2 324.409 2.452 40 0 DEABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000012666456 401789600 /nfs/dbraw/zinc/78/96/00/401789600.db2.gz UCVFJOAJCRQYBS-UHFFFAOYSA-N 1 2 324.409 2.452 40 0 DEABLO CCn1ncc2c1C[N@H+](Cc1c(C)noc1C)C[C@H]2COC ZINC000096044564 402049876 /nfs/dbraw/zinc/04/98/76/402049876.db2.gz GLVFDBAMRPMAGB-ZDUSSCGKSA-N 1 2 304.394 2.254 40 0 DEABLO CCn1ncc2c1C[N@@H+](Cc1c(C)noc1C)C[C@H]2COC ZINC000096044564 402049878 /nfs/dbraw/zinc/04/98/78/402049878.db2.gz GLVFDBAMRPMAGB-ZDUSSCGKSA-N 1 2 304.394 2.254 40 0 DEABLO c1csc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096209392 402070455 /nfs/dbraw/zinc/07/04/55/402070455.db2.gz JWYZBQRGIRWSSE-CJNGLKHVSA-N 1 2 317.414 2.351 40 0 DEABLO c1csc(C[N@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096209392 402070456 /nfs/dbraw/zinc/07/04/56/402070456.db2.gz JWYZBQRGIRWSSE-CJNGLKHVSA-N 1 2 317.414 2.351 40 0 DEABLO O=C(c1cscn1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198918 402067479 /nfs/dbraw/zinc/06/74/79/402067479.db2.gz GDPQTNRBKNAHCE-UHFFFAOYSA-N 1 2 314.414 2.411 40 0 DEABLO c1csc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c1 ZINC000247842181 402576788 /nfs/dbraw/zinc/57/67/88/402576788.db2.gz QLXRUOUXTRJDBH-CYBMUJFWSA-N 1 2 317.414 2.351 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)s1 ZINC000257223941 402705030 /nfs/dbraw/zinc/70/50/30/402705030.db2.gz DZPIQZGXTMAMGY-ZDUSSCGKSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)s1 ZINC000257223941 402705032 /nfs/dbraw/zinc/70/50/32/402705032.db2.gz DZPIQZGXTMAMGY-ZDUSSCGKSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)[nH+]1 ZINC000257231754 402706183 /nfs/dbraw/zinc/70/61/83/402706183.db2.gz GIBFBKZIJTVTAL-CQSZACIVSA-N 1 2 301.394 2.354 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)[nH+]1 ZINC000257231753 402706422 /nfs/dbraw/zinc/70/64/22/402706422.db2.gz GIBFBKZIJTVTAL-AWEZNQCLSA-N 1 2 301.394 2.354 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@@H]2c2[nH+]c(C)cn2C)on1 ZINC000257237300 402707065 /nfs/dbraw/zinc/70/70/65/402707065.db2.gz HFXAOBGNTYIBDK-CYBMUJFWSA-N 1 2 318.377 2.021 40 0 DEABLO Cc1c[nH]nc1[C@@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C1 ZINC000257246948 402708319 /nfs/dbraw/zinc/70/83/19/402708319.db2.gz IWRPTDAAJLMOHK-CQSZACIVSA-N 1 2 323.400 2.233 40 0 DEABLO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cnc(OC)nc2)n1 ZINC000257264698 402710541 /nfs/dbraw/zinc/71/05/41/402710541.db2.gz LVRZWRCSZCRWHV-AWEZNQCLSA-N 1 2 314.393 2.044 40 0 DEABLO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cnc(OC)nc2)n1 ZINC000257264698 402710542 /nfs/dbraw/zinc/71/05/42/402710542.db2.gz LVRZWRCSZCRWHV-AWEZNQCLSA-N 1 2 314.393 2.044 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257267994 402710917 /nfs/dbraw/zinc/71/09/17/402710917.db2.gz MJUYTWXQTDAESJ-CYBMUJFWSA-N 1 2 311.389 2.026 40 0 DEABLO C[C@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@H+]1CC1CCC1 ZINC000253592593 402669846 /nfs/dbraw/zinc/66/98/46/402669846.db2.gz XERAIDPHWLGVSD-LBPRGKRZSA-N 1 2 302.422 2.200 40 0 DEABLO C[C@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@@H+]1CC1CCC1 ZINC000253592593 402669850 /nfs/dbraw/zinc/66/98/50/402669850.db2.gz XERAIDPHWLGVSD-LBPRGKRZSA-N 1 2 302.422 2.200 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257202236 402702586 /nfs/dbraw/zinc/70/25/86/402702586.db2.gz ALACMGILTHGNEB-LBPRGKRZSA-N 1 2 317.393 2.173 40 0 DEABLO c1cc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n[nH]1 ZINC000257201588 402702600 /nfs/dbraw/zinc/70/26/00/402702600.db2.gz AIFWFHCZVWPNKF-ROUUACIJSA-N 1 2 313.401 2.360 40 0 DEABLO c1cc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n[nH]1 ZINC000257201588 402702603 /nfs/dbraw/zinc/70/26/03/402702603.db2.gz AIFWFHCZVWPNKF-ROUUACIJSA-N 1 2 313.401 2.360 40 0 DEABLO CNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329062768 404218265 /nfs/dbraw/zinc/21/82/65/404218265.db2.gz WYRJUVMBVYNABD-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC)n1 ZINC000329018001 404203718 /nfs/dbraw/zinc/20/37/18/404203718.db2.gz NOQIKTUUMKHNJX-UHFFFAOYSA-N 1 2 312.295 2.360 40 0 DEABLO COc1ccccc1C[N@@H+]1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093193 405866219 /nfs/dbraw/zinc/86/62/19/405866219.db2.gz IDTUJQQCKSLHTA-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO COc1ccccc1C[N@H+]1C[C@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093193 405866226 /nfs/dbraw/zinc/86/62/26/405866226.db2.gz IDTUJQQCKSLHTA-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cc[nH]n2)c1 ZINC000257232640 278020769 /nfs/dbraw/zinc/02/07/69/278020769.db2.gz GLUGHMFNADPXHE-HNNXBMFYSA-N 1 2 323.356 2.012 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257336092 301024939 /nfs/dbraw/zinc/02/49/39/301024939.db2.gz YNCORJWRYSMLHQ-NSHDSACASA-N 1 2 306.391 2.005 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C2CCC(F)(F)CC2)[nH+]1 ZINC000257304459 301024945 /nfs/dbraw/zinc/02/49/45/301024945.db2.gz SLTWKCPUMJKTPP-GFCCVEGCSA-N 1 2 313.348 2.444 40 0 DEABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1c[nH+]cn1C ZINC000072336971 191126129 /nfs/dbraw/zinc/12/61/29/191126129.db2.gz KGFAVEDGRVSZFJ-SWLSCSKDSA-N 1 2 308.389 2.033 40 0 DEABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072383611 191143877 /nfs/dbraw/zinc/14/38/77/191143877.db2.gz BRPONZKPWHGWDA-ZDUSSCGKSA-N 1 2 316.336 2.030 40 0 DEABLO NC(=O)C[N@H+]1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000072383611 191143879 /nfs/dbraw/zinc/14/38/79/191143879.db2.gz BRPONZKPWHGWDA-ZDUSSCGKSA-N 1 2 316.336 2.030 40 0 DEABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585112405 357335586 /nfs/dbraw/zinc/33/55/86/357335586.db2.gz PLNOPKGSEZJSCY-UHFFFAOYSA-N 1 2 313.348 2.312 40 0 DEABLO CC(C)[N@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585112405 357335593 /nfs/dbraw/zinc/33/55/93/357335593.db2.gz PLNOPKGSEZJSCY-UHFFFAOYSA-N 1 2 313.348 2.312 40 0 DEABLO CO[C@]1(COc2ccccc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274700 357341498 /nfs/dbraw/zinc/34/14/98/357341498.db2.gz MDFAOIYKIOBNJS-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2ccccc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274700 357341500 /nfs/dbraw/zinc/34/15/00/357341500.db2.gz MDFAOIYKIOBNJS-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275160 357342304 /nfs/dbraw/zinc/34/23/04/357342304.db2.gz YMQGRPSYWHCYHV-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275160 357342306 /nfs/dbraw/zinc/34/23/06/357342306.db2.gz YMQGRPSYWHCYHV-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275150 357342630 /nfs/dbraw/zinc/34/26/30/357342630.db2.gz YLACCJPIVWGTRI-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275150 357342632 /nfs/dbraw/zinc/34/26/32/357342632.db2.gz YLACCJPIVWGTRI-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1nc(N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)cc[nH+]1 ZINC000585279586 357343224 /nfs/dbraw/zinc/34/32/24/357343224.db2.gz VVQYYBANRURIOX-GDBMZVCRSA-N 1 2 301.365 2.354 40 0 DEABLO c1cc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)ncn1 ZINC000257300878 203026187 /nfs/dbraw/zinc/02/61/87/203026187.db2.gz RWAIXONBCIBMTO-MRXNPFEDSA-N 1 2 310.405 2.204 40 0 DEABLO c1cc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)ncn1 ZINC000257300878 203026191 /nfs/dbraw/zinc/02/61/91/203026191.db2.gz RWAIXONBCIBMTO-MRXNPFEDSA-N 1 2 310.405 2.204 40 0 DEABLO CC(=O)N1CCC(c2nc(C)cc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000257281236 203007506 /nfs/dbraw/zinc/00/75/06/203007506.db2.gz OOGCTFLWTFJWRP-UHFFFAOYSA-N 1 2 313.405 2.220 40 0 DEABLO CNc1cc(C)nc([C@@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257281250 203010491 /nfs/dbraw/zinc/01/04/91/203010491.db2.gz OOHYGTHOQPUWLO-MRXNPFEDSA-N 1 2 300.410 2.071 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257293413 203018301 /nfs/dbraw/zinc/01/83/01/203018301.db2.gz QPJMTRRIBFXOQN-LBPRGKRZSA-N 1 2 313.357 2.119 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257293325 203019032 /nfs/dbraw/zinc/01/90/32/203019032.db2.gz QOZZPVOWEVWFMQ-ZDUSSCGKSA-N 1 2 305.403 2.205 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257329975 203053287 /nfs/dbraw/zinc/05/32/87/203053287.db2.gz XMFYILJBGFZRAC-AWEZNQCLSA-N 1 2 323.400 2.314 40 0 DEABLO Cc1cnc([C@@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)cn1 ZINC000257315507 203039919 /nfs/dbraw/zinc/03/99/19/203039919.db2.gz VBSHBFYOHWLONF-HNNXBMFYSA-N 1 2 301.394 2.136 40 0 DEABLO COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306134958 533155836 /nfs/dbraw/zinc/15/58/36/533155836.db2.gz OCLNBDCTDWFZOB-MUBLQREKSA-N 1 2 303.387 2.188 40 0 DEABLO CCOc1cc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)ccc1OC ZINC000095534450 257137797 /nfs/dbraw/zinc/13/77/97/257137797.db2.gz WVMNLMRAVUTSAL-JSGCOSHPSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289666 257215481 /nfs/dbraw/zinc/21/54/81/257215481.db2.gz YAQUJFLFHWOUCJ-STQMWFEESA-N 1 2 301.390 2.456 40 0 biogenic,in-vitro DEABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289666 257215482 /nfs/dbraw/zinc/21/54/82/257215482.db2.gz YAQUJFLFHWOUCJ-STQMWFEESA-N 1 2 301.390 2.456 40 0 biogenic,in-vitro DEABLO O=C(CNc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000037065704 134698255 /nfs/dbraw/zinc/69/82/55/134698255.db2.gz BTQKOKXGIIIGRW-UHFFFAOYSA-N 1 2 309.413 2.490 40 0 DEABLO CC(C)C[N@@H+]1CC(=O)N2CCC[C@H](c3ccccc3)N2C(=O)C1 ZINC000005707520 401730310 /nfs/dbraw/zinc/73/03/10/401730310.db2.gz FOWZGRHCVKGPGV-MRXNPFEDSA-N 1 2 315.417 2.065 40 0 DEABLO CC(C)C[N@H+]1CC(=O)N2CCC[C@H](c3ccccc3)N2C(=O)C1 ZINC000005707520 401730315 /nfs/dbraw/zinc/73/03/15/401730315.db2.gz FOWZGRHCVKGPGV-MRXNPFEDSA-N 1 2 315.417 2.065 40 0 DEABLO COc1ccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)c(OC)c1 ZINC000013563494 401801008 /nfs/dbraw/zinc/80/10/08/401801008.db2.gz CTRDTZXHMVMYNE-NTUHNPAUSA-N 1 2 322.386 2.259 40 0 DEABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096060245 402053986 /nfs/dbraw/zinc/05/39/86/402053986.db2.gz ONWWIRPYBPNHGA-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060245 402053989 /nfs/dbraw/zinc/05/39/89/402053989.db2.gz ONWWIRPYBPNHGA-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cccs1 ZINC000096060544 402054995 /nfs/dbraw/zinc/05/49/95/402054995.db2.gz PDHVXCKWFPEZHL-OAHLLOKOSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cccs1 ZINC000096060544 402054996 /nfs/dbraw/zinc/05/49/96/402054996.db2.gz PDHVXCKWFPEZHL-OAHLLOKOSA-N 1 2 318.446 2.495 40 0 DEABLO CCC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096226200 402072320 /nfs/dbraw/zinc/07/23/20/402072320.db2.gz ZTVACHMGZLDUJX-UHFFFAOYSA-N 1 2 320.408 2.429 40 0 DEABLO CCC(=O)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC000096226200 402072323 /nfs/dbraw/zinc/07/23/23/402072323.db2.gz ZTVACHMGZLDUJX-UHFFFAOYSA-N 1 2 320.408 2.429 40 0 DEABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000067898634 402178099 /nfs/dbraw/zinc/17/80/99/402178099.db2.gz JZVBTAGDJXBGIA-INIZCTEOSA-N 1 2 323.400 2.384 40 0 biogenic,in-vitro DEABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000247845079 402576983 /nfs/dbraw/zinc/57/69/83/402576983.db2.gz GPKUCBVVBZYUCC-IUODEOHRSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000247845079 402576984 /nfs/dbraw/zinc/57/69/84/402576984.db2.gz GPKUCBVVBZYUCC-IUODEOHRSA-N 1 2 317.389 2.239 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257217580 402704332 /nfs/dbraw/zinc/70/43/32/402704332.db2.gz CZOIRWWJDVULMO-ZDUSSCGKSA-N 1 2 309.373 2.235 40 0 DEABLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2nccn2C)nc2nccn21 ZINC000257221866 402704820 /nfs/dbraw/zinc/70/48/20/402704820.db2.gz DQVZQZMUAAGMIA-HNNXBMFYSA-N 1 2 310.405 2.498 40 0 DEABLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2nccn2C)nc2nccn21 ZINC000257221866 402704822 /nfs/dbraw/zinc/70/48/22/402704822.db2.gz DQVZQZMUAAGMIA-HNNXBMFYSA-N 1 2 310.405 2.498 40 0 DEABLO CNc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(NC)n2)cn1 ZINC000257246363 402708474 /nfs/dbraw/zinc/70/84/74/402708474.db2.gz ITTYTRSDJIDCMV-AWEZNQCLSA-N 1 2 313.409 2.077 40 0 DEABLO CNc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(NC)n2)cn1 ZINC000257246363 402708476 /nfs/dbraw/zinc/70/84/76/402708476.db2.gz ITTYTRSDJIDCMV-AWEZNQCLSA-N 1 2 313.409 2.077 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257258556 402709240 /nfs/dbraw/zinc/70/92/40/402709240.db2.gz KUNSQCKWUAFADF-CQSZACIVSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1cc(N2CCC[C@H]2c2cnc(-c3nccn3C)cn2)nc[nH+]1 ZINC000257261568 402709908 /nfs/dbraw/zinc/70/99/08/402709908.db2.gz LHXLYHQLVRAXJS-HNNXBMFYSA-N 1 2 321.388 2.317 40 0 DEABLO CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1CO ZINC000257267218 402710902 /nfs/dbraw/zinc/71/09/02/402710902.db2.gz MGKSUGBNOQBNBM-CQSZACIVSA-N 1 2 301.390 2.290 40 0 DEABLO CCOc1ccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cc1CO ZINC000257267218 402710903 /nfs/dbraw/zinc/71/09/03/402710903.db2.gz MGKSUGBNOQBNBM-CQSZACIVSA-N 1 2 301.390 2.290 40 0 DEABLO C[C@@H](O)C[NH+]1CCN(Sc2nc3ccccc3s2)CC1 ZINC000255189830 402681033 /nfs/dbraw/zinc/68/10/33/402681033.db2.gz SKDNXVOLQGWCHX-LLVKDONJSA-N 1 2 309.460 2.302 40 0 DEABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000329067629 404218742 /nfs/dbraw/zinc/21/87/42/404218742.db2.gz YJOAHRGGZRDHSJ-MRXNPFEDSA-N 1 2 312.417 2.468 40 0 DEABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000329067629 404218751 /nfs/dbraw/zinc/21/87/51/404218751.db2.gz YJOAHRGGZRDHSJ-MRXNPFEDSA-N 1 2 312.417 2.468 40 0 DEABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c1 ZINC000328964563 404183302 /nfs/dbraw/zinc/18/33/02/404183302.db2.gz BVULJMDAXKTNNU-UHFFFAOYSA-N 1 2 316.430 2.068 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328979972 404188872 /nfs/dbraw/zinc/18/88/72/404188872.db2.gz GJOMBLHLURYSIV-JTQLQIEISA-N 1 2 318.808 2.388 40 0 DEABLO C[C@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1cn[nH]c1 ZINC000585097958 405867755 /nfs/dbraw/zinc/86/77/55/405867755.db2.gz PTFBXNGRMCAXTN-ZDUSSCGKSA-N 1 2 315.421 2.152 40 0 DEABLO C[C@H]1c2ncc(CCOCC3CC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097958 405867765 /nfs/dbraw/zinc/86/77/65/405867765.db2.gz PTFBXNGRMCAXTN-ZDUSSCGKSA-N 1 2 315.421 2.152 40 0 DEABLO C[C@H]1c2ncc(CCOCC3CC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097958 405867771 /nfs/dbraw/zinc/86/77/71/405867771.db2.gz PTFBXNGRMCAXTN-ZDUSSCGKSA-N 1 2 315.421 2.152 40 0 DEABLO c1ncn2c1C[N@H+](Cc1cn[nH]c1)[C@@H](COc1ccccc1)CC2 ZINC000585098046 405868644 /nfs/dbraw/zinc/86/86/44/405868644.db2.gz SQRHIFJXXLMHKC-MRXNPFEDSA-N 1 2 323.400 2.460 40 0 DEABLO c1ncn2c1C[N@@H+](Cc1cn[nH]c1)[C@@H](COc1ccccc1)CC2 ZINC000585098046 405868649 /nfs/dbraw/zinc/86/86/49/405868649.db2.gz SQRHIFJXXLMHKC-MRXNPFEDSA-N 1 2 323.400 2.460 40 0 DEABLO O=C(Cc1ccsc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130944712 196125057 /nfs/dbraw/zinc/12/50/57/196125057.db2.gz BFWBBYRLLSYKLV-AWEZNQCLSA-N 1 2 301.415 2.471 40 0 DEABLO OCCCNc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000329052557 424902740 /nfs/dbraw/zinc/90/27/40/424902740.db2.gz VCIRYTKQCWEFAU-UHFFFAOYSA-N 1 2 302.353 3.031 40 0 DEABLO CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]1 ZINC000013125244 281658410 /nfs/dbraw/zinc/65/84/10/281658410.db2.gz USGAKCDXBMYSOT-LLVKDONJSA-N 1 2 324.171 2.012 40 0 DEABLO Nc1nc(N2CCCC2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000012338380 295368350 /nfs/dbraw/zinc/36/83/50/295368350.db2.gz YRSXEMJZBQYLNK-UHFFFAOYSA-N 1 2 315.446 2.279 40 0 DEABLO Nc1nc(N2CCCC2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000012338380 295368352 /nfs/dbraw/zinc/36/83/52/295368352.db2.gz YRSXEMJZBQYLNK-UHFFFAOYSA-N 1 2 315.446 2.279 40 0 DEABLO Nc1nc(N2CCCC2)[nH+]c2c1CCN(Cc1cccs1)C2 ZINC000012338380 295368354 /nfs/dbraw/zinc/36/83/54/295368354.db2.gz YRSXEMJZBQYLNK-UHFFFAOYSA-N 1 2 315.446 2.279 40 0 DEABLO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CO2)COCC[NH2+]1 ZINC000306145557 526495123 /nfs/dbraw/zinc/49/51/23/526495123.db2.gz IKCCJBLJCJTKJC-MRXNPFEDSA-N 1 2 306.362 2.241 40 0 DEABLO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383051 191143357 /nfs/dbraw/zinc/14/33/57/191143357.db2.gz LEZNDOJSBDAUDF-CQSZACIVSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383051 191143359 /nfs/dbraw/zinc/14/33/59/191143359.db2.gz LEZNDOJSBDAUDF-CQSZACIVSA-N 1 2 311.389 2.151 40 0 DEABLO CNc1ccc([C@@H]2C[N@H+](Cc3cccnc3NC)CCO2)nc1 ZINC000072388119 191146201 /nfs/dbraw/zinc/14/62/01/191146201.db2.gz PLJRDABPXQMMFI-INIZCTEOSA-N 1 2 313.405 2.134 40 0 DEABLO CNc1ccc([C@@H]2C[N@@H+](Cc3cccnc3NC)CCO2)nc1 ZINC000072388119 191146203 /nfs/dbraw/zinc/14/62/03/191146203.db2.gz PLJRDABPXQMMFI-INIZCTEOSA-N 1 2 313.405 2.134 40 0 DEABLO CCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000012276706 354024477 /nfs/dbraw/zinc/02/44/77/354024477.db2.gz ABDJZTMBWZEERC-CVEARBPZSA-N 1 2 308.385 2.274 40 0 DEABLO CCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000012276706 354024482 /nfs/dbraw/zinc/02/44/82/354024482.db2.gz ABDJZTMBWZEERC-CVEARBPZSA-N 1 2 308.385 2.274 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000585110923 357335136 /nfs/dbraw/zinc/33/51/36/357335136.db2.gz ZKNLXVRONLHDNX-ZDUSSCGKSA-N 1 2 318.446 2.106 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000585110923 357335139 /nfs/dbraw/zinc/33/51/39/357335139.db2.gz ZKNLXVRONLHDNX-ZDUSSCGKSA-N 1 2 318.446 2.106 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)Cc2ccnn21 ZINC000585112655 357335561 /nfs/dbraw/zinc/33/55/61/357335561.db2.gz SPUWZLUXYQTDCI-QGZVFWFLSA-N 1 2 312.417 2.193 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)Cc2ccnn21 ZINC000585112655 357335565 /nfs/dbraw/zinc/33/55/65/357335565.db2.gz SPUWZLUXYQTDCI-QGZVFWFLSA-N 1 2 312.417 2.193 40 0 DEABLO CO[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585273078 357341139 /nfs/dbraw/zinc/34/11/39/357341139.db2.gz ABXILBBFACJYPN-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585273078 357341142 /nfs/dbraw/zinc/34/11/42/357341142.db2.gz ABXILBBFACJYPN-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccncn2)CC1 ZINC000194054095 201169911 /nfs/dbraw/zinc/16/99/11/201169911.db2.gz AJCGZWFVWSWIRM-LBPRGKRZSA-N 1 2 317.418 2.449 40 0 DEABLO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000195529828 201398439 /nfs/dbraw/zinc/39/84/39/201398439.db2.gz GQRZYASNEOWHBY-YNEHKIRRSA-N 1 2 312.410 2.022 40 0 DEABLO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000195529828 201398442 /nfs/dbraw/zinc/39/84/42/201398442.db2.gz GQRZYASNEOWHBY-YNEHKIRRSA-N 1 2 312.410 2.022 40 0 DEABLO CCc1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)on1 ZINC000257308812 203033601 /nfs/dbraw/zinc/03/36/01/203033601.db2.gz TYEWUISKOKLTSM-LBPRGKRZSA-N 1 2 302.378 2.299 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257309467 203034523 /nfs/dbraw/zinc/03/45/23/203034523.db2.gz UBAZCLBCJITAIX-GFCCVEGCSA-N 1 2 304.419 2.432 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)[nH+]1 ZINC000257339511 203062660 /nfs/dbraw/zinc/06/26/60/203062660.db2.gz ZCAPKHWUZBSGQX-OAHLLOKOSA-N 1 2 324.388 2.217 40 0 DEABLO CC(C)COC(=O)[C@H]([NH3+])[C@@H](C(=O)OCC(C)C)c1ccccc1 ZINC000019203251 182107116 /nfs/dbraw/zinc/10/71/16/182107116.db2.gz BOJVLUPCUOHWSK-JKSUJKDBSA-N 1 2 321.417 2.496 40 0 DEABLO OCC[N@@H+]1CCO[C@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494740 257132301 /nfs/dbraw/zinc/13/23/01/257132301.db2.gz DBQPWYUJKZTOQW-JTQLQIEISA-N 1 2 306.189 2.065 40 0 DEABLO OCC[N@H+]1CCO[C@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494740 257132302 /nfs/dbraw/zinc/13/23/02/257132302.db2.gz DBQPWYUJKZTOQW-JTQLQIEISA-N 1 2 306.189 2.065 40 0 DEABLO CCOc1cc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)ccc1OC ZINC000095534451 257137268 /nfs/dbraw/zinc/13/72/68/257137268.db2.gz WVMNLMRAVUTSAL-GXTWGEPZSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2c(=O)c1C ZINC000012222896 401781636 /nfs/dbraw/zinc/78/16/36/401781636.db2.gz GNHKREWISPMGCX-HNNXBMFYSA-N 1 2 323.400 2.436 40 0 DEABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2c(=O)c1C ZINC000012222896 401781640 /nfs/dbraw/zinc/78/16/40/401781640.db2.gz GNHKREWISPMGCX-HNNXBMFYSA-N 1 2 323.400 2.436 40 0 DEABLO COC[C@@H]1CN(C(=O)c2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045068 402049449 /nfs/dbraw/zinc/04/94/49/402049449.db2.gz CLOVTFVSHAAZRF-AWEZNQCLSA-N 1 2 315.373 2.272 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ncn(C)c21 ZINC000096044780 402049466 /nfs/dbraw/zinc/04/94/66/402049466.db2.gz FTUYNHVCVBWQGH-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ncn(C)c21 ZINC000096044780 402049468 /nfs/dbraw/zinc/04/94/68/402049468.db2.gz FTUYNHVCVBWQGH-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO Cc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048589 402051031 /nfs/dbraw/zinc/05/10/31/402051031.db2.gz OUKHOWTZQAKBOW-RHSMWYFYSA-N 1 2 315.373 2.421 40 0 DEABLO Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048588 402051245 /nfs/dbraw/zinc/05/12/45/402051245.db2.gz OUKHOWTZQAKBOW-PBHICJAKSA-N 1 2 315.373 2.421 40 0 DEABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccccc1 ZINC000096068788 402056562 /nfs/dbraw/zinc/05/65/62/402056562.db2.gz SSGCQMJYCQTKDF-KRWDZBQOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccccc1 ZINC000096068788 402056564 /nfs/dbraw/zinc/05/65/64/402056564.db2.gz SSGCQMJYCQTKDF-KRWDZBQOSA-N 1 2 312.417 2.434 40 0 DEABLO O=C([C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2)N1CCCC1 ZINC000096253198 402074640 /nfs/dbraw/zinc/07/46/40/402074640.db2.gz TWEOEXYZVKSHMI-HLLBOEOZSA-N 1 2 318.392 2.037 40 0 DEABLO O=C([C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2)N1CCCC1 ZINC000096253198 402074642 /nfs/dbraw/zinc/07/46/42/402074642.db2.gz TWEOEXYZVKSHMI-HLLBOEOZSA-N 1 2 318.392 2.037 40 0 DEABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000224853030 402314914 /nfs/dbraw/zinc/31/49/14/402314914.db2.gz RLKZVZUNGDUGBD-AWEZNQCLSA-N 1 2 302.418 2.107 40 0 DEABLO C[C@@H]1c2nc(C(=O)N(C)C)cn2CC[N@H+]1CCc1ccccc1 ZINC000248031695 402580710 /nfs/dbraw/zinc/58/07/10/402580710.db2.gz TWFWWFDVMSUIEH-CQSZACIVSA-N 1 2 312.417 2.204 40 0 DEABLO C[C@@H]1c2nc(C(=O)N(C)C)cn2CC[N@@H+]1CCc1ccccc1 ZINC000248031695 402580712 /nfs/dbraw/zinc/58/07/12/402580712.db2.gz TWFWWFDVMSUIEH-CQSZACIVSA-N 1 2 312.417 2.204 40 0 DEABLO Cc1cc2nc([C@@H]3CCCC[N@@H+]3C3CCOCC3)cc(=O)n2[nH]1 ZINC000257227728 402705830 /nfs/dbraw/zinc/70/58/30/402705830.db2.gz FQQAEIUDHNYLDI-HNNXBMFYSA-N 1 2 316.405 2.449 40 0 DEABLO Cc1cc2nc([C@@H]3CCCC[N@H+]3C3CCOCC3)cc(=O)n2[nH]1 ZINC000257227728 402705831 /nfs/dbraw/zinc/70/58/31/402705831.db2.gz FQQAEIUDHNYLDI-HNNXBMFYSA-N 1 2 316.405 2.449 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3cnccn3)C2)c[nH+]1 ZINC000257229264 402706210 /nfs/dbraw/zinc/70/62/10/402706210.db2.gz FXJUMVSFXSGHGT-OAHLLOKOSA-N 1 2 301.394 2.116 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3cnccn3)C2)[nH+]1 ZINC000257229264 402706211 /nfs/dbraw/zinc/70/62/11/402706211.db2.gz FXJUMVSFXSGHGT-OAHLLOKOSA-N 1 2 301.394 2.116 40 0 DEABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2cccc(NC)n2)C1 ZINC000257257463 402709315 /nfs/dbraw/zinc/70/93/15/402709315.db2.gz KPRBLUDCQLMZCT-HNNXBMFYSA-N 1 2 315.421 2.303 40 0 DEABLO Cc1cc(C)nc(N2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)n1 ZINC000257257471 402709541 /nfs/dbraw/zinc/70/95/41/402709541.db2.gz KPRYGOUVYOVARI-HNNXBMFYSA-N 1 2 321.388 2.411 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3ccccc3[nH]2)[nH+]1 ZINC000257341658 402712255 /nfs/dbraw/zinc/71/22/55/402712255.db2.gz ZLIFGFMWAYIUHR-HNNXBMFYSA-N 1 2 310.357 2.413 40 0 DEABLO C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@@H+]1C1CCCC1 ZINC000253591615 402669948 /nfs/dbraw/zinc/66/99/48/402669948.db2.gz PADKWHNBUIMKHR-GFCCVEGCSA-N 1 2 302.422 2.342 40 0 DEABLO C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@H+]1C1CCCC1 ZINC000253591615 402669949 /nfs/dbraw/zinc/66/99/49/402669949.db2.gz PADKWHNBUIMKHR-GFCCVEGCSA-N 1 2 302.422 2.342 40 0 DEABLO Cc1occc1C(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC000269731558 403161904 /nfs/dbraw/zinc/16/19/04/403161904.db2.gz XXUXJBRQSYHIGJ-UHFFFAOYSA-N 1 2 305.403 2.439 40 0 DEABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000328983568 404190665 /nfs/dbraw/zinc/19/06/65/404190665.db2.gz HHCSAHRPQQKQQK-UHFFFAOYSA-N 1 2 316.380 2.183 40 0 DEABLO C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111857 290289636 /nfs/dbraw/zinc/28/96/36/290289636.db2.gz JEZPMFJNPPUWGN-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111857 290289638 /nfs/dbraw/zinc/28/96/38/290289638.db2.gz JEZPMFJNPPUWGN-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO OCCCNc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000328956961 534361921 /nfs/dbraw/zinc/36/19/21/534361921.db2.gz AHMGSADTVPCWBM-UHFFFAOYSA-N 1 2 320.343 2.014 40 0 DEABLO CC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225592074 186280787 /nfs/dbraw/zinc/28/07/87/186280787.db2.gz ZULILYKMDNEUJW-UHFFFAOYSA-N 1 2 306.406 2.382 40 0 DEABLO COC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000072366058 191135685 /nfs/dbraw/zinc/13/56/85/191135685.db2.gz IOVBCRIVGZSYMM-AWEZNQCLSA-N 1 2 320.389 2.355 40 0 DEABLO Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387746 191145956 /nfs/dbraw/zinc/14/59/56/191145956.db2.gz QITFNLHSBLKNCU-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387746 191145957 /nfs/dbraw/zinc/14/59/57/191145957.db2.gz QITFNLHSBLKNCU-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO CCCO[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000067360307 354758910 /nfs/dbraw/zinc/75/89/10/354758910.db2.gz RMISZZUZXZISLI-OAHLLOKOSA-N 1 2 314.389 2.299 40 0 DEABLO CCC[N@@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585112758 357335398 /nfs/dbraw/zinc/33/53/98/357335398.db2.gz VCGSULLTJSXTPJ-UHFFFAOYSA-N 1 2 313.348 2.314 40 0 DEABLO CCC[N@H+]1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 ZINC000585112758 357335402 /nfs/dbraw/zinc/33/54/02/357335402.db2.gz VCGSULLTJSXTPJ-UHFFFAOYSA-N 1 2 313.348 2.314 40 0 DEABLO Cc1noc(C)c1-c1cccc(C(=O)NCc2[nH+]ccn2C)n1 ZINC000257331999 203054521 /nfs/dbraw/zinc/05/45/21/203054521.db2.gz XVGPCTKJRJJXPN-UHFFFAOYSA-N 1 2 311.345 2.017 40 0 DEABLO Clc1cccc(OCCc2cc([C@H]3C[NH2+]CCO3)n[nH]2)c1 ZINC000257324056 203048002 /nfs/dbraw/zinc/04/80/02/203048002.db2.gz WMYIVDONHAOWGC-OAHLLOKOSA-N 1 2 307.781 2.346 40 0 DEABLO CN(C(=O)CCc1ccccc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257337938 203059291 /nfs/dbraw/zinc/05/92/91/203059291.db2.gz YVBWZIUCIHMULU-JFIYKMOQSA-N 1 2 313.401 2.039 40 0 DEABLO Cc1cc(CN2CCC[C@H]2c2cc(N(C)C)nc(C)[nH+]2)no1 ZINC000257342985 203064647 /nfs/dbraw/zinc/06/46/47/203064647.db2.gz ZQWMIZRFTSQLDG-HNNXBMFYSA-N 1 2 301.394 2.485 40 0 DEABLO Cc1cc(C[N@H+]2CCC[C@H]2c2cc(N(C)C)nc(C)n2)no1 ZINC000257342985 203064650 /nfs/dbraw/zinc/06/46/50/203064650.db2.gz ZQWMIZRFTSQLDG-HNNXBMFYSA-N 1 2 301.394 2.485 40 0 DEABLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc(N(C)C)nc(C)n2)no1 ZINC000257342985 203064654 /nfs/dbraw/zinc/06/46/54/203064654.db2.gz ZQWMIZRFTSQLDG-HNNXBMFYSA-N 1 2 301.394 2.485 40 0 DEABLO CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cc[nH+]cc1)C(=O)C2 ZINC000016779342 182060942 /nfs/dbraw/zinc/06/09/42/182060942.db2.gz LGDPTCUQJFXBGD-NHYWBVRUSA-N 1 2 308.403 2.219 40 0 DEABLO CCn1c(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)nc2ccccc21 ZINC000019524310 182127893 /nfs/dbraw/zinc/12/78/93/182127893.db2.gz GHZBMTTUVCDNQQ-UHFFFAOYSA-N 1 2 323.400 2.006 40 0 DEABLO CCn1c(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)nc2ccccc21 ZINC000019524310 182127895 /nfs/dbraw/zinc/12/78/95/182127895.db2.gz GHZBMTTUVCDNQQ-UHFFFAOYSA-N 1 2 323.400 2.006 40 0 DEABLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019727257 182139394 /nfs/dbraw/zinc/13/93/94/182139394.db2.gz FFZYPUYWTIIDEL-CGTJXYLNSA-N 1 2 314.429 2.437 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](c4nnc(C)o4)CC[C@H]32)no1 ZINC000096041097 256552241 /nfs/dbraw/zinc/55/22/41/256552241.db2.gz XQDKQRABMQRVDX-MGPQQGTHSA-N 1 2 304.350 2.169 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](c4nnc(C)o4)CC[C@H]32)no1 ZINC000096041097 256552243 /nfs/dbraw/zinc/55/22/43/256552243.db2.gz XQDKQRABMQRVDX-MGPQQGTHSA-N 1 2 304.350 2.169 40 0 DEABLO CCOc1ccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OC ZINC000095534307 257136662 /nfs/dbraw/zinc/13/66/62/257136662.db2.gz QEHRKXJZKSVQSV-GXTWGEPZSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1cccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]23)c1 ZINC000072343234 401708986 /nfs/dbraw/zinc/70/89/86/401708986.db2.gz GFCHDOVTJUTZFO-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1cccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]23)c1 ZINC000072343234 401708989 /nfs/dbraw/zinc/70/89/89/401708989.db2.gz GFCHDOVTJUTZFO-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019372392 401822380 /nfs/dbraw/zinc/82/23/80/401822380.db2.gz NHEFUBDRYAQFCE-UHFFFAOYSA-N 1 2 319.368 2.198 40 0 DEABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019372392 401822382 /nfs/dbraw/zinc/82/23/82/401822382.db2.gz NHEFUBDRYAQFCE-UHFFFAOYSA-N 1 2 319.368 2.198 40 0 DEABLO O=C(NCC[NH+]1CCOCC1)Nc1cccc2c1CCCC2 ZINC000031720230 401872690 /nfs/dbraw/zinc/87/26/90/401872690.db2.gz YJJWJZJHJNORIG-UHFFFAOYSA-N 1 2 303.406 2.019 40 0 DEABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096045476 402050076 /nfs/dbraw/zinc/05/00/76/402050076.db2.gz MNLFEADYJRNSQY-CQSZACIVSA-N 1 2 318.446 2.403 40 0 DEABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096045476 402050079 /nfs/dbraw/zinc/05/00/79/402050079.db2.gz MNLFEADYJRNSQY-CQSZACIVSA-N 1 2 318.446 2.403 40 0 DEABLO c1csc(CN2Cc3[nH+]ccn3C[C@H](COCC3CC3)C2)n1 ZINC000096066849 402055488 /nfs/dbraw/zinc/05/54/88/402055488.db2.gz KEJUVKJWCKDFNO-CQSZACIVSA-N 1 2 318.446 2.398 40 0 DEABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187894 402066074 /nfs/dbraw/zinc/06/60/74/402066074.db2.gz TTYDXWUMCFTNLD-AWEZNQCLSA-N 1 2 315.373 2.175 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2Cl)C1 ZINC000107798198 402240916 /nfs/dbraw/zinc/24/09/16/402240916.db2.gz WOXILZNDGVOCNS-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2Cl)C1 ZINC000107798198 402240917 /nfs/dbraw/zinc/24/09/17/402240917.db2.gz WOXILZNDGVOCNS-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000247867751 402576976 /nfs/dbraw/zinc/57/69/76/402576976.db2.gz PIBSHVHNHUARQF-IUODEOHRSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000247867751 402576978 /nfs/dbraw/zinc/57/69/78/402576978.db2.gz PIBSHVHNHUARQF-IUODEOHRSA-N 1 2 317.389 2.239 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)[nH+]1 ZINC000257222900 402705192 /nfs/dbraw/zinc/70/51/92/402705192.db2.gz DVBHEGVZHLENAG-HNNXBMFYSA-N 1 2 312.421 2.445 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257225107 402705600 /nfs/dbraw/zinc/70/56/00/402705600.db2.gz FEVLAGZOQYXXSY-AWEZNQCLSA-N 1 2 319.430 2.215 40 0 DEABLO Cn1ncc2c1CCCN(C(=O)Nc1ccn3cc[nH+]c3c1)C2 ZINC000333855549 403886418 /nfs/dbraw/zinc/88/64/18/403886418.db2.gz YEHFLZXBKOCLGY-UHFFFAOYSA-N 1 2 310.361 2.048 40 0 DEABLO OCCCNc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329071573 404221595 /nfs/dbraw/zinc/22/15/95/404221595.db2.gz ZRBHLXSNGICWBU-UHFFFAOYSA-N 1 2 318.808 2.389 40 0 DEABLO COCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@H]2C ZINC000585097129 405865896 /nfs/dbraw/zinc/86/58/96/405865896.db2.gz FZQNSUVXQVHUEA-AWEZNQCLSA-N 1 2 315.417 2.141 40 0 DEABLO O=C(C1CC1)N1CC[C@@]2(CCn3c(-c4ccncc4)c[nH+]c32)C1 ZINC000306129779 231086204 /nfs/dbraw/zinc/08/62/04/231086204.db2.gz IMRNCKCZKCBWQQ-GOSISDBHSA-N 1 2 308.385 2.229 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2ccc(N(C)C)cn2)C1 ZINC000072388105 191146653 /nfs/dbraw/zinc/14/66/53/191146653.db2.gz KZGYEEDWPJRHPQ-HNNXBMFYSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2ccc(N(C)C)cn2)C1 ZINC000072388105 191146654 /nfs/dbraw/zinc/14/66/54/191146654.db2.gz KZGYEEDWPJRHPQ-HNNXBMFYSA-N 1 2 318.446 2.486 40 0 DEABLO CC[NH+]1CCN(C(=O)Nc2c[nH]c3c(C)cccc3c2=O)CC1 ZINC000004907447 181171282 /nfs/dbraw/zinc/17/12/82/181171282.db2.gz GXXCSUDZOQFBFJ-UHFFFAOYSA-N 1 2 314.389 2.006 40 0 DEABLO COC(=O)[C@H](C[C@H]1C=NC=N1)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000214469223 356271258 /nfs/dbraw/zinc/27/12/58/356271258.db2.gz KKMJGUDIUVOQTI-OJYUVLBFSA-N 1 2 317.433 2.205 40 0 DEABLO CO[C@]1(COc2ccccc2C)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274902 357342588 /nfs/dbraw/zinc/34/25/88/357342588.db2.gz RCQQBFFWOARYJU-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2ccccc2C)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274902 357342590 /nfs/dbraw/zinc/34/25/90/357342590.db2.gz RCQQBFFWOARYJU-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257288690 203015790 /nfs/dbraw/zinc/01/57/90/203015790.db2.gz PVEVRUDUANHZEW-AWEZNQCLSA-N 1 2 304.419 2.432 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257288690 203015793 /nfs/dbraw/zinc/01/57/93/203015793.db2.gz PVEVRUDUANHZEW-AWEZNQCLSA-N 1 2 304.419 2.432 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257333473 203056233 /nfs/dbraw/zinc/05/62/33/203056233.db2.gz YBSHFIQPQSBHGA-NSHDSACASA-N 1 2 300.362 2.215 40 0 DEABLO COc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257318965 203043468 /nfs/dbraw/zinc/04/34/68/203043468.db2.gz VQCSBBVFUWBKIC-CYBMUJFWSA-N 1 2 300.362 2.142 40 0 DEABLO COc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000020490312 182223861 /nfs/dbraw/zinc/22/38/61/182223861.db2.gz RSRABMMKUHMGJG-UHFFFAOYSA-N 1 2 317.389 2.039 40 0 DEABLO C[N@H+](Cn1nc2c3ccccc3ncn2c1=O)C1CCCCC1 ZINC000012183000 401781296 /nfs/dbraw/zinc/78/12/96/401781296.db2.gz SAIMDYZANMRWNL-UHFFFAOYSA-N 1 2 311.389 2.266 40 0 DEABLO C[N@@H+](Cn1nc2c3ccccc3ncn2c1=O)C1CCCCC1 ZINC000012183000 401781299 /nfs/dbraw/zinc/78/12/99/401781299.db2.gz SAIMDYZANMRWNL-UHFFFAOYSA-N 1 2 311.389 2.266 40 0 DEABLO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(CCOC)n1 ZINC000049467759 402017966 /nfs/dbraw/zinc/01/79/66/402017966.db2.gz XWUDEZPKFIZDME-UHFFFAOYSA-N 1 2 316.361 2.168 40 0 DEABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)C1=CCCC1)C2 ZINC000096044944 402049963 /nfs/dbraw/zinc/04/99/63/402049963.db2.gz UGBKZHISQYSKBF-HNNXBMFYSA-N 1 2 315.417 2.383 40 0 DEABLO COc1cc(C[NH+]2CC3(C2)C[C@@H](OC)CCO3)cc(OC)c1 ZINC000247963698 402579702 /nfs/dbraw/zinc/57/97/02/402579702.db2.gz RPFTZXXTSUAJNK-AWEZNQCLSA-N 1 2 307.390 2.084 40 0 DEABLO CCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000251748172 402649494 /nfs/dbraw/zinc/64/94/94/402649494.db2.gz ABDJZTMBWZEERC-HOTGVXAUSA-N 1 2 308.385 2.274 40 0 DEABLO CCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000251748172 402649495 /nfs/dbraw/zinc/64/94/95/402649495.db2.gz ABDJZTMBWZEERC-HOTGVXAUSA-N 1 2 308.385 2.274 40 0 DEABLO CCc1ccccc1NC(=O)C[N@@H+]1C[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257226051 402705748 /nfs/dbraw/zinc/70/57/48/402705748.db2.gz FIXQVRHONZAMQF-SJLPKXTDSA-N 1 2 318.417 2.067 40 0 DEABLO CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](OC)[C@@]2(CCCO2)C1 ZINC000257226051 402705749 /nfs/dbraw/zinc/70/57/49/402705749.db2.gz FIXQVRHONZAMQF-SJLPKXTDSA-N 1 2 318.417 2.067 40 0 DEABLO O=C(c1ccc2[nH+]ccn2c1)N1CCC(Cc2cccnn2)CC1 ZINC000257224149 402705844 /nfs/dbraw/zinc/70/58/44/402705844.db2.gz FANATSINIRTBFP-UHFFFAOYSA-N 1 2 321.384 2.219 40 0 DEABLO CN(C(=O)c1cscn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257238933 402707444 /nfs/dbraw/zinc/70/74/44/402707444.db2.gz HNELCLLFPRXTDQ-LBPRGKRZSA-N 1 2 302.403 2.279 40 0 DEABLO COc1ccc(F)cc1C(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257254382 402709131 /nfs/dbraw/zinc/70/91/31/402709131.db2.gz KCUWTBQCDRMOND-NSHDSACASA-N 1 2 303.337 2.496 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccncn1 ZINC000257272164 402711526 /nfs/dbraw/zinc/71/15/26/402711526.db2.gz NBHIHZUNJCWFEY-INIZCTEOSA-N 1 2 321.384 2.498 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257285951 402711582 /nfs/dbraw/zinc/71/15/82/402711582.db2.gz PJNIWKPFVKVNCF-LBPRGKRZSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccsc1C[N@H+]1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257285951 402711583 /nfs/dbraw/zinc/71/15/83/402711583.db2.gz PJNIWKPFVKVNCF-LBPRGKRZSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[nH+]1 ZINC000257206324 402703057 /nfs/dbraw/zinc/70/30/57/402703057.db2.gz BCWOYIWLADEOKY-CYBMUJFWSA-N 1 2 324.388 2.007 40 0 DEABLO CC(C)CNC(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306139875 403950838 /nfs/dbraw/zinc/95/08/38/403950838.db2.gz UDGGFLLERCFDGJ-AWEZNQCLSA-N 1 2 300.406 2.487 40 0 DEABLO CC(C)CNC(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306139875 403950845 /nfs/dbraw/zinc/95/08/45/403950845.db2.gz UDGGFLLERCFDGJ-AWEZNQCLSA-N 1 2 300.406 2.487 40 0 DEABLO C[C@@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000328982761 404190892 /nfs/dbraw/zinc/19/08/92/404190892.db2.gz HBPUZLGPTILUJF-NSHDSACASA-N 1 2 318.808 2.485 40 0 DEABLO C[C@@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000328982761 404190897 /nfs/dbraw/zinc/19/08/97/404190897.db2.gz HBPUZLGPTILUJF-NSHDSACASA-N 1 2 318.808 2.485 40 0 DEABLO OCCNc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000328990361 404191960 /nfs/dbraw/zinc/19/19/60/404191960.db2.gz IOHJOOFGNKWAOJ-UHFFFAOYSA-N 1 2 304.781 2.097 40 0 DEABLO OCCNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000328990361 404191962 /nfs/dbraw/zinc/19/19/62/404191962.db2.gz IOHJOOFGNKWAOJ-UHFFFAOYSA-N 1 2 304.781 2.097 40 0 DEABLO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000585095051 405865601 /nfs/dbraw/zinc/86/56/01/405865601.db2.gz BQARQDPXRJOYGN-HNNXBMFYSA-N 1 2 302.422 2.199 40 0 DEABLO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000585095051 405865609 /nfs/dbraw/zinc/86/56/09/405865609.db2.gz BQARQDPXRJOYGN-HNNXBMFYSA-N 1 2 302.422 2.199 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)[nH+]1 ZINC000257344747 301025268 /nfs/dbraw/zinc/02/52/68/301025268.db2.gz ZYNMIUBUGAWOTC-GFCCVEGCSA-N 1 2 317.414 2.482 40 0 DEABLO Cc1ccc(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000329738526 539928756 /nfs/dbraw/zinc/92/87/56/539928756.db2.gz UJRYJLDSPUBIIB-CABCVRRESA-N 1 2 314.389 2.290 40 0 DEABLO Cc1ccc(Cc2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000329738526 539928760 /nfs/dbraw/zinc/92/87/60/539928760.db2.gz UJRYJLDSPUBIIB-CABCVRRESA-N 1 2 314.389 2.290 40 0 DEABLO CCCOc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000033649862 354159982 /nfs/dbraw/zinc/15/99/82/354159982.db2.gz FFEPZRJGFXHWPH-UHFFFAOYSA-N 1 2 308.447 2.073 40 0 DEABLO Cc1ccc(C[C@]2(CO)C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000585276955 357342712 /nfs/dbraw/zinc/34/27/12/357342712.db2.gz SXAGRHYVFCBBEL-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccc(C[C@]2(CO)C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000585276955 357342714 /nfs/dbraw/zinc/34/27/14/357342714.db2.gz SXAGRHYVFCBBEL-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO c1cncc(OC[C@H]2CCOC23C[NH+](Cc2ccncc2)C3)c1 ZINC000247827803 202691276 /nfs/dbraw/zinc/69/12/76/202691276.db2.gz JTEXOVLUSQATTA-MRXNPFEDSA-N 1 2 311.385 2.147 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000257222486 202956748 /nfs/dbraw/zinc/95/67/48/202956748.db2.gz DTLVIXFZNQRGLO-LBPRGKRZSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257283445 203010965 /nfs/dbraw/zinc/01/09/65/203010965.db2.gz OYIZUFXFMBYTJA-ZDUSSCGKSA-N 1 2 313.357 2.087 40 0 DEABLO CNc1cc(C)nc([C@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257329282 203053693 /nfs/dbraw/zinc/05/36/93/203053693.db2.gz XJELKAAIXWIOOE-INIZCTEOSA-N 1 2 300.410 2.071 40 0 DEABLO CNc1cc(C)nc([C@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257329282 203053697 /nfs/dbraw/zinc/05/36/97/203053697.db2.gz XJELKAAIXWIOOE-INIZCTEOSA-N 1 2 300.410 2.071 40 0 DEABLO Cc1cnc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000257316687 203041279 /nfs/dbraw/zinc/04/12/79/203041279.db2.gz VGOKGWCBJMDYOE-ZDUSSCGKSA-N 1 2 304.419 2.444 40 0 DEABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674101 182011686 /nfs/dbraw/zinc/01/16/86/182011686.db2.gz WYXFRKMCTHLIHO-CVEARBPZSA-N 1 2 322.368 2.440 40 0 biogenic,in-vitro DEABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674101 182011688 /nfs/dbraw/zinc/01/16/88/182011688.db2.gz WYXFRKMCTHLIHO-CVEARBPZSA-N 1 2 322.368 2.440 40 0 biogenic,in-vitro DEABLO CC(C)COC(=O)[C@H]([NH3+])[C@H](C(=O)OCC(C)C)c1ccccc1 ZINC000019203257 182107350 /nfs/dbraw/zinc/10/73/50/182107350.db2.gz BOJVLUPCUOHWSK-HZPDHXFCSA-N 1 2 321.417 2.496 40 0 DEABLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2ccccc21 ZINC000022234506 182314517 /nfs/dbraw/zinc/31/45/17/182314517.db2.gz AYSCUJWCIKGAKH-UHFFFAOYSA-N 1 2 324.384 2.038 40 0 DEABLO Cc1ccccc1C1=NO[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]12 ZINC000057823068 184055197 /nfs/dbraw/zinc/05/51/97/184055197.db2.gz XCGODBKYGKTDDD-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccccc1C1=NO[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]12 ZINC000057823068 184055199 /nfs/dbraw/zinc/05/51/99/184055199.db2.gz XCGODBKYGKTDDD-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000022115360 292175954 /nfs/dbraw/zinc/17/59/54/292175954.db2.gz ZDMWJJZWFHWUBA-QGZVFWFLSA-N 1 2 316.426 2.330 40 0 DEABLO COc1ccccc1[C@H](NC(=O)c1ccncc1)c1[nH+]ccn1C ZINC000012221725 401781911 /nfs/dbraw/zinc/78/19/11/401781911.db2.gz NNBAPEWPFRTBEY-INIZCTEOSA-N 1 2 322.368 2.343 40 0 DEABLO C[NH+]1CCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC000034695138 401893923 /nfs/dbraw/zinc/89/39/23/401893923.db2.gz YWYQSRHOSZXRHU-UHFFFAOYSA-N 1 2 301.415 2.101 40 0 DEABLO c1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)nc1 ZINC000096058846 402053952 /nfs/dbraw/zinc/05/39/52/402053952.db2.gz SPEKGJGTWKZHBH-UHFFFAOYSA-N 1 2 313.405 2.006 40 0 DEABLO c1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)nc1 ZINC000096058846 402053954 /nfs/dbraw/zinc/05/39/54/402053954.db2.gz SPEKGJGTWKZHBH-UHFFFAOYSA-N 1 2 313.405 2.006 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096060882 402055116 /nfs/dbraw/zinc/05/51/16/402055116.db2.gz UTUQQKRFZYCZPV-AWEZNQCLSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096060882 402055117 /nfs/dbraw/zinc/05/51/17/402055117.db2.gz UTUQQKRFZYCZPV-AWEZNQCLSA-N 1 2 318.446 2.495 40 0 DEABLO CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096065672 402055879 /nfs/dbraw/zinc/05/58/79/402055879.db2.gz NSMQGIAJFPWSTI-QRTARXTBSA-N 1 2 305.374 2.184 40 0 DEABLO CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096065672 402055881 /nfs/dbraw/zinc/05/58/81/402055881.db2.gz NSMQGIAJFPWSTI-QRTARXTBSA-N 1 2 305.374 2.184 40 0 DEABLO CCn1cc2c(n1)C[N@@H+](Cc1scnc1C)C[C@H]2COC ZINC000096068688 402056422 /nfs/dbraw/zinc/05/64/22/402056422.db2.gz KNVVPIBOWBYBGL-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1cc2c(n1)C[N@H+](Cc1scnc1C)C[C@H]2COC ZINC000096068688 402056424 /nfs/dbraw/zinc/05/64/24/402056424.db2.gz KNVVPIBOWBYBGL-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO O=C(C1CC1)N1CC[C@@]2(C1)CCC[C@@H](CNc1cccc[nH+]1)O2 ZINC000096209601 402070363 /nfs/dbraw/zinc/07/03/63/402070363.db2.gz AKBPHEGEWXOZIL-MAUKXSAKSA-N 1 2 315.417 2.444 40 0 DEABLO O=C(C1CC1)N1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096216183 402070583 /nfs/dbraw/zinc/07/05/83/402070583.db2.gz AKBPHEGEWXOZIL-CRAIPNDOSA-N 1 2 315.417 2.444 40 0 DEABLO CCOc1ncccc1C(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257226653 402705737 /nfs/dbraw/zinc/70/57/37/402705737.db2.gz FLORLLXVRQUELM-GFCCVEGCSA-N 1 2 300.362 2.142 40 0 DEABLO Cc1noc(C)c1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257246938 402708253 /nfs/dbraw/zinc/70/82/53/402708253.db2.gz IWQJMGQVSIMNHJ-AWEZNQCLSA-N 1 2 314.389 2.427 40 0 DEABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C ZINC000261362325 402713189 /nfs/dbraw/zinc/71/31/89/402713189.db2.gz CXVQLFHHVZEOHP-SECBINFHSA-O 1 2 317.394 2.134 40 0 DEABLO CCn1nc(C)c(C[NH2+]Cc2ccn(CC(F)F)n2)c1F ZINC000256052927 402700294 /nfs/dbraw/zinc/70/02/94/402700294.db2.gz PFKOLSVJDBTKGE-UHFFFAOYSA-N 1 2 301.316 2.102 40 0 DEABLO Cc1cnn(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)c1 ZINC000257202327 402702524 /nfs/dbraw/zinc/70/25/24/402702524.db2.gz ALHPTABLQPFTRN-OAHLLOKOSA-N 1 2 313.405 2.016 40 0 DEABLO CCOC1CC(O)(CNc2cc(C)[nH+]c(-c3cccnc3)n2)C1 ZINC000277772681 403255362 /nfs/dbraw/zinc/25/53/62/403255362.db2.gz DVSIOTXMEOEQNG-UHFFFAOYSA-N 1 2 314.389 2.189 40 0 DEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cnco2)cc1 ZINC000257245591 286364530 /nfs/dbraw/zinc/36/45/30/286364530.db2.gz IQFYBHCLCHIKHR-AWEZNQCLSA-N 1 2 324.340 2.277 40 0 DEABLO OCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328981214 404189503 /nfs/dbraw/zinc/18/95/03/404189503.db2.gz GTIUWKQEHYDTDD-UHFFFAOYSA-N 1 2 322.771 2.138 40 0 DEABLO CCNc1nc(NCCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329042501 404210815 /nfs/dbraw/zinc/21/08/15/404210815.db2.gz SMYIIOZOGQWDQT-UHFFFAOYSA-N 1 2 319.412 2.469 40 0 DEABLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000378261273 404910596 /nfs/dbraw/zinc/91/05/96/404910596.db2.gz JOGWIHTXYVCMAP-LLVKDONJSA-N 1 2 305.765 2.409 40 0 DEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cc(C)n[nH]1)[C@@H]2C ZINC000585097007 405867006 /nfs/dbraw/zinc/86/70/06/405867006.db2.gz DNOCJWKQZUTSBI-CYBMUJFWSA-N 1 2 303.410 2.070 40 0 DEABLO COc1ccc(C2CC[NH+](Cc3nnnn3C3CC3)CC2)cc1 ZINC000072342069 262514197 /nfs/dbraw/zinc/51/41/97/262514197.db2.gz YOLVBRPYFWEPLV-UHFFFAOYSA-N 1 2 313.405 2.396 40 0 DEABLO O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333892050 269001077 /nfs/dbraw/zinc/00/10/77/269001077.db2.gz YIVHMVRSWHUMRZ-QMTHXVAHSA-N 1 2 310.344 2.275 40 0 DEABLO CC(C)c1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000138909109 278038425 /nfs/dbraw/zinc/03/84/25/278038425.db2.gz FTNFZRYMIMXYDD-QWHCGFSZSA-N 1 2 310.444 2.464 40 0 DEABLO C[C@H]1c2nc(C(=O)N(C)C)cn2CC[N@H+]1CCc1ccccc1 ZINC000248031692 280136888 /nfs/dbraw/zinc/13/68/88/280136888.db2.gz TWFWWFDVMSUIEH-AWEZNQCLSA-N 1 2 312.417 2.204 40 0 DEABLO C[C@H]1c2nc(C(=O)N(C)C)cn2CC[N@@H+]1CCc1ccccc1 ZINC000248031692 280136891 /nfs/dbraw/zinc/13/68/91/280136891.db2.gz TWFWWFDVMSUIEH-AWEZNQCLSA-N 1 2 312.417 2.204 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc3cccnc32)[nH+]1 ZINC000257303597 301024785 /nfs/dbraw/zinc/02/47/85/301024785.db2.gz SHWVRNQDIZFWBK-HNNXBMFYSA-N 1 2 322.368 2.480 40 0 DEABLO Cc1cc(N2CCC(c3cncc(-n4cc[nH+]c4)n3)CC2)ncn1 ZINC000072355591 191130547 /nfs/dbraw/zinc/13/05/47/191130547.db2.gz AUCGBSQVESEAAU-UHFFFAOYSA-N 1 2 321.388 2.145 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)nc1 ZINC000585103143 357334483 /nfs/dbraw/zinc/33/44/83/357334483.db2.gz RSJIQVFEXYDYRE-MRXNPFEDSA-N 1 2 302.418 2.489 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112490 357335779 /nfs/dbraw/zinc/33/57/79/357335779.db2.gz QBQFTGVPKZURSO-HNNXBMFYSA-N 1 2 323.400 2.057 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000585112490 357335783 /nfs/dbraw/zinc/33/57/83/357335783.db2.gz QBQFTGVPKZURSO-HNNXBMFYSA-N 1 2 323.400 2.057 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@](O)(COc2cccc(C)c2)C1 ZINC000585274846 357342375 /nfs/dbraw/zinc/34/23/75/357342375.db2.gz PJIGRCWTAHKSQE-QGZVFWFLSA-N 1 2 301.390 2.042 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CC[C@](O)(COc2cccc(C)c2)C1 ZINC000585274846 357342379 /nfs/dbraw/zinc/34/23/79/357342379.db2.gz PJIGRCWTAHKSQE-QGZVFWFLSA-N 1 2 301.390 2.042 40 0 DEABLO CO[C@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274855 357342603 /nfs/dbraw/zinc/34/26/03/357342603.db2.gz PNHCBVWWCTWZMQ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274855 357342605 /nfs/dbraw/zinc/34/26/05/357342605.db2.gz PNHCBVWWCTWZMQ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CCc1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257300482 203024691 /nfs/dbraw/zinc/02/46/91/203024691.db2.gz RUMKICXZMAKSPU-LBPRGKRZSA-N 1 2 302.378 2.299 40 0 DEABLO Cc1cnn(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)c1 ZINC000257305279 203030487 /nfs/dbraw/zinc/03/04/87/203030487.db2.gz SPGCHHYMBHKUAO-MRXNPFEDSA-N 1 2 321.384 2.172 40 0 DEABLO O=C(CC1CCCC1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257308584 203032392 /nfs/dbraw/zinc/03/23/92/203032392.db2.gz TXHIMIXUXGMGFX-GOSISDBHSA-N 1 2 317.433 2.109 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257338595 203059624 /nfs/dbraw/zinc/05/96/24/203059624.db2.gz YYCUXJCTEHBELE-MRXNPFEDSA-N 1 2 312.417 2.462 40 0 DEABLO Cc1occc1C(=O)N1CCC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096048571 193500830 /nfs/dbraw/zinc/50/08/30/193500830.db2.gz DYCOFRSDVSPMDT-WMLDXEAASA-N 1 2 315.373 2.421 40 0 DEABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000022514432 182324163 /nfs/dbraw/zinc/32/41/63/182324163.db2.gz MCAPKWWFLPPWNB-MRXNPFEDSA-N 1 2 317.389 2.256 40 0 DEABLO Cc1ccccc1C1=NO[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]12 ZINC000057823071 184055259 /nfs/dbraw/zinc/05/52/59/184055259.db2.gz XCGODBKYGKTDDD-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccccc1C1=NO[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]12 ZINC000057823071 184055260 /nfs/dbraw/zinc/05/52/60/184055260.db2.gz XCGODBKYGKTDDD-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO CCOc1ccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OC ZINC000095534309 257136245 /nfs/dbraw/zinc/13/62/45/257136245.db2.gz QEHRKXJZKSVQSV-TZMCWYRMSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]23)cc1 ZINC000072343262 401709417 /nfs/dbraw/zinc/70/94/17/401709417.db2.gz KCKNPCIQBQAPDZ-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]23)cc1 ZINC000072343262 401709419 /nfs/dbraw/zinc/70/94/19/401709419.db2.gz KCKNPCIQBQAPDZ-DLBZAZTESA-N 1 2 308.385 2.328 40 0 DEABLO COc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1OC ZINC000013679617 401803137 /nfs/dbraw/zinc/80/31/37/401803137.db2.gz FZQXMGLQANXZRP-UHFFFAOYSA-N 1 2 320.418 2.277 40 0 in-vitro DEABLO COc1ccccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130395167 401829639 /nfs/dbraw/zinc/82/96/39/401829639.db2.gz ZOQILYFXIJOCIL-AWEZNQCLSA-N 1 2 311.385 2.489 40 0 DEABLO CCOC[C@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(C)c21 ZINC000096044817 402049456 /nfs/dbraw/zinc/04/94/56/402049456.db2.gz UVPAIWQLYQRMPF-CYBMUJFWSA-N 1 2 304.394 2.161 40 0 DEABLO CCOC[C@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044817 402049459 /nfs/dbraw/zinc/04/94/59/402049459.db2.gz UVPAIWQLYQRMPF-CYBMUJFWSA-N 1 2 304.394 2.161 40 0 DEABLO CCOC[C@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044817 402049460 /nfs/dbraw/zinc/04/94/60/402049460.db2.gz UVPAIWQLYQRMPF-CYBMUJFWSA-N 1 2 304.394 2.161 40 0 DEABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096060244 402054282 /nfs/dbraw/zinc/05/42/82/402054282.db2.gz ONWWIRPYBPNHGA-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060244 402054285 /nfs/dbraw/zinc/05/42/85/402054285.db2.gz ONWWIRPYBPNHGA-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO COC[C@@H]1CN(C(=O)N2CCCC2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060304 402054828 /nfs/dbraw/zinc/05/48/28/402054828.db2.gz VBFRTEPICPOJCI-AWEZNQCLSA-N 1 2 318.421 2.055 40 0 DEABLO c1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccncc2)CCO3)nc1 ZINC000096074776 402057247 /nfs/dbraw/zinc/05/72/47/402057247.db2.gz JRYKAMGKVMMUBS-LJQANCHMSA-N 1 2 324.428 2.348 40 0 DEABLO c1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)nc1 ZINC000096074776 402057248 /nfs/dbraw/zinc/05/72/48/402057248.db2.gz JRYKAMGKVMMUBS-LJQANCHMSA-N 1 2 324.428 2.348 40 0 DEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCCC[C@H]1C ZINC000096147154 402062041 /nfs/dbraw/zinc/06/20/41/402062041.db2.gz WTJWCLONJHNUEZ-CJNGLKHVSA-N 1 2 304.438 2.129 40 0 DEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@H]1C(=O)N1CCCC[C@H]1C ZINC000096147154 402062042 /nfs/dbraw/zinc/06/20/42/402062042.db2.gz WTJWCLONJHNUEZ-CJNGLKHVSA-N 1 2 304.438 2.129 40 0 DEABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108530780 402256310 /nfs/dbraw/zinc/25/63/10/402256310.db2.gz IIMBGAKAGBRMHQ-GJZGRUSLSA-N 1 2 320.458 2.382 40 0 DEABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108530780 402256311 /nfs/dbraw/zinc/25/63/11/402256311.db2.gz IIMBGAKAGBRMHQ-GJZGRUSLSA-N 1 2 320.458 2.382 40 0 DEABLO c1coc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)c1 ZINC000247944740 402578768 /nfs/dbraw/zinc/57/87/68/402578768.db2.gz JMIBZYOKFIAGFY-INIZCTEOSA-N 1 2 321.417 2.456 40 0 DEABLO O=C1CCCN1C[C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000247855233 402576699 /nfs/dbraw/zinc/57/66/99/402576699.db2.gz JJZBBXOVMYLJIM-AWEZNQCLSA-N 1 2 316.430 2.124 40 0 DEABLO Cc1ccc(C[N@@H+]2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257215713 402703532 /nfs/dbraw/zinc/70/35/32/402703532.db2.gz CRHSWCKTVJFTJR-AWEZNQCLSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccc(C[N@H+]2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257215713 402703535 /nfs/dbraw/zinc/70/35/35/402703535.db2.gz CRHSWCKTVJFTJR-AWEZNQCLSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1cc(N2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)nc[nH+]1 ZINC000257226461 402705803 /nfs/dbraw/zinc/70/58/03/402705803.db2.gz FKRQSILZNVTKGW-CQSZACIVSA-N 1 2 307.361 2.307 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)on2)CC[N@@H+]1C ZINC000257232272 402706228 /nfs/dbraw/zinc/70/62/28/402706228.db2.gz GKCMWCFUNOPLDN-HNNXBMFYSA-N 1 2 315.373 2.121 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)on2)CC[N@H+]1C ZINC000257232272 402706230 /nfs/dbraw/zinc/70/62/30/402706230.db2.gz GKCMWCFUNOPLDN-HNNXBMFYSA-N 1 2 315.373 2.121 40 0 DEABLO CCOc1ccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cc1CO ZINC000257267217 402710403 /nfs/dbraw/zinc/71/04/03/402710403.db2.gz MGKSUGBNOQBNBM-AWEZNQCLSA-N 1 2 301.390 2.290 40 0 DEABLO CCOc1ccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cc1CO ZINC000257267217 402710406 /nfs/dbraw/zinc/71/04/06/402710406.db2.gz MGKSUGBNOQBNBM-AWEZNQCLSA-N 1 2 301.390 2.290 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3ccccc3n2)[nH+]1 ZINC000257310918 402712086 /nfs/dbraw/zinc/71/20/86/402712086.db2.gz UHEIRSFIMIBSDS-INIZCTEOSA-N 1 2 322.368 2.480 40 0 DEABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)c1C ZINC000257206256 402703099 /nfs/dbraw/zinc/70/30/99/402703099.db2.gz BCPVOVXSYDPVOT-OAHLLOKOSA-N 1 2 303.410 2.125 40 0 DEABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)c1C ZINC000257206256 402703101 /nfs/dbraw/zinc/70/31/01/402703101.db2.gz BCPVOVXSYDPVOT-OAHLLOKOSA-N 1 2 303.410 2.125 40 0 DEABLO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268369763 403077575 /nfs/dbraw/zinc/07/75/75/403077575.db2.gz UATVSOONJMUMED-IRXDYDNUSA-N 1 2 323.458 2.163 40 0 DEABLO Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268369763 403077578 /nfs/dbraw/zinc/07/75/78/403077578.db2.gz UATVSOONJMUMED-IRXDYDNUSA-N 1 2 323.458 2.163 40 0 DEABLO CNc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328969072 404186940 /nfs/dbraw/zinc/18/69/40/404186940.db2.gz DCMBWRCIKHSFMX-UHFFFAOYSA-N 1 2 305.385 2.079 40 0 DEABLO Fc1ccc(C2([NH2+]Cc3nnnn3C3CC3)CCC2)c(F)c1 ZINC000329353917 404312143 /nfs/dbraw/zinc/31/21/43/404312143.db2.gz FFIFEELKFPBOJK-UHFFFAOYSA-N 1 2 305.332 2.455 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257221690 301024845 /nfs/dbraw/zinc/02/48/45/301024845.db2.gz DQCPRIHVYAJGSU-CYBMUJFWSA-N 1 2 307.300 2.210 40 0 DEABLO CCNc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000328961952 527996018 /nfs/dbraw/zinc/99/60/18/527996018.db2.gz BGBJIBPRBATAEG-UHFFFAOYSA-N 1 2 305.385 2.426 40 0 DEABLO CNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000328958418 529833560 /nfs/dbraw/zinc/83/35/60/529833560.db2.gz ANNMSSYCFUSUBD-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO CC(=O)Nc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cs1 ZINC000072368022 191137657 /nfs/dbraw/zinc/13/76/57/191137657.db2.gz QLQZVVVNOKBDJD-LLVKDONJSA-N 1 2 305.407 2.204 40 0 DEABLO CC(=O)Nc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cs1 ZINC000072368022 191137659 /nfs/dbraw/zinc/13/76/59/191137659.db2.gz QLQZVVVNOKBDJD-LLVKDONJSA-N 1 2 305.407 2.204 40 0 DEABLO CC(=O)Nc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cs1 ZINC000072368022 191137661 /nfs/dbraw/zinc/13/76/61/191137661.db2.gz QLQZVVVNOKBDJD-LLVKDONJSA-N 1 2 305.407 2.204 40 0 DEABLO O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378570 191141777 /nfs/dbraw/zinc/14/17/77/191141777.db2.gz ZLWAYSSADGWADF-CYBMUJFWSA-N 1 2 322.372 2.010 40 0 DEABLO O=C(c1ccn[nH]1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378570 191141778 /nfs/dbraw/zinc/14/17/78/191141778.db2.gz ZLWAYSSADGWADF-CYBMUJFWSA-N 1 2 322.372 2.010 40 0 DEABLO c1coc(C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 ZINC000585102990 357334178 /nfs/dbraw/zinc/33/41/78/357334178.db2.gz NUIZBMYFTBRHAM-CQSZACIVSA-N 1 2 300.358 2.345 40 0 DEABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)co1 ZINC000585102637 357334315 /nfs/dbraw/zinc/33/43/15/357334315.db2.gz DGNLXYAQFAUJAU-OAHLLOKOSA-N 1 2 300.358 2.345 40 0 DEABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000257270557 203000453 /nfs/dbraw/zinc/00/04/53/203000453.db2.gz MUSHBZYHLJINLQ-AWEZNQCLSA-N 1 2 318.402 2.044 40 0 DEABLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)C[C@]12CCCO2 ZINC000257276757 203005307 /nfs/dbraw/zinc/00/53/07/203005307.db2.gz NUZBTOWDDWXTQT-CRAIPNDOSA-N 1 2 318.417 2.122 40 0 DEABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)C[C@]12CCCO2 ZINC000257276757 203005310 /nfs/dbraw/zinc/00/53/10/203005310.db2.gz NUZBTOWDDWXTQT-CRAIPNDOSA-N 1 2 318.417 2.122 40 0 DEABLO Cc1nn(C)cc1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257304197 203027050 /nfs/dbraw/zinc/02/70/50/203027050.db2.gz SKMCDHQNVOYHSD-INIZCTEOSA-N 1 2 321.384 2.322 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1cnccn1 ZINC000257283501 203010713 /nfs/dbraw/zinc/01/07/13/203010713.db2.gz OYPNITHUPQBRBE-QGZVFWFLSA-N 1 2 321.384 2.498 40 0 DEABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 ZINC000257284424 203012427 /nfs/dbraw/zinc/01/24/27/203012427.db2.gz PCQZDIKVGSQBBH-GOSISDBHSA-N 1 2 312.417 2.308 40 0 DEABLO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 ZINC000257284424 203012430 /nfs/dbraw/zinc/01/24/30/203012430.db2.gz PCQZDIKVGSQBBH-GOSISDBHSA-N 1 2 312.417 2.308 40 0 DEABLO CC(=O)NCc1cc([C@@H]2CCCN2c2cc(C)[nH+]cn2)ccn1 ZINC000257286678 203013304 /nfs/dbraw/zinc/01/33/04/203013304.db2.gz PMNMCXROCYXANK-INIZCTEOSA-N 1 2 311.389 2.158 40 0 DEABLO CNc1cc([C@H]2CCCN2C(=O)Cn2nc(C)cc2C)cc[nH+]1 ZINC000257322066 203046762 /nfs/dbraw/zinc/04/67/62/203046762.db2.gz WELPNKZOEPDCIC-OAHLLOKOSA-N 1 2 313.405 2.300 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257342721 203064498 /nfs/dbraw/zinc/06/44/98/203064498.db2.gz ZPWMXMUNCVGCOC-GFCCVEGCSA-N 1 2 303.337 2.252 40 0 DEABLO CC(C)COC(=O)[C@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC(C)C ZINC000019203254 182107182 /nfs/dbraw/zinc/10/71/82/182107182.db2.gz BOJVLUPCUOHWSK-CVEARBPZSA-N 1 2 321.417 2.496 40 0 DEABLO CC(C)OCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038858676 183011925 /nfs/dbraw/zinc/01/19/25/183011925.db2.gz ZFYCLEGKIDUDDR-UHFFFAOYSA-N 1 2 301.390 2.476 40 0 DEABLO OCC[N@@H+]1CCO[C@@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494661 257132493 /nfs/dbraw/zinc/13/24/93/257132493.db2.gz DBQPWYUJKZTOQW-SNVBAGLBSA-N 1 2 306.189 2.065 40 0 DEABLO OCC[N@H+]1CCO[C@@H](COc2c(Cl)cccc2Cl)C1 ZINC000217494661 257132495 /nfs/dbraw/zinc/13/24/95/257132495.db2.gz DBQPWYUJKZTOQW-SNVBAGLBSA-N 1 2 306.189 2.065 40 0 DEABLO COCC[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306132513 533285872 /nfs/dbraw/zinc/28/58/72/533285872.db2.gz LLEAVAJJNBVBCW-GOSISDBHSA-N 1 2 315.417 2.493 40 0 DEABLO COCC[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306132513 533285875 /nfs/dbraw/zinc/28/58/75/533285875.db2.gz LLEAVAJJNBVBCW-GOSISDBHSA-N 1 2 315.417 2.493 40 0 DEABLO c1[nH]c([C@@H]2COCC[N@H+]2C2CCOCC2)nc1-c1cccnc1 ZINC000072322038 401709066 /nfs/dbraw/zinc/70/90/66/401709066.db2.gz HLPRHOWJKWOWQB-INIZCTEOSA-N 1 2 314.389 2.024 40 0 biogenic,in-vitro DEABLO c1[nH]c([C@@H]2COCC[N@@H+]2C2CCOCC2)nc1-c1cccnc1 ZINC000072322038 401709069 /nfs/dbraw/zinc/70/90/69/401709069.db2.gz HLPRHOWJKWOWQB-INIZCTEOSA-N 1 2 314.389 2.024 40 0 biogenic,in-vitro DEABLO O=C1N(C2CCCCC2)C[C@H]2C[N@H+](Cc3ccncc3)CCN12 ZINC000077266896 401807929 /nfs/dbraw/zinc/80/79/29/401807929.db2.gz PANAKFLKBDMIDW-QGZVFWFLSA-N 1 2 314.433 2.336 40 0 biogenic,in-vitro DEABLO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](Cc3ccncc3)CCN12 ZINC000077266896 401807931 /nfs/dbraw/zinc/80/79/31/401807931.db2.gz PANAKFLKBDMIDW-QGZVFWFLSA-N 1 2 314.433 2.336 40 0 biogenic,in-vitro DEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1nccs1)C2 ZINC000096044899 402049597 /nfs/dbraw/zinc/04/95/97/402049597.db2.gz BDPQGQFQSAQFPO-CYBMUJFWSA-N 1 2 318.446 2.403 40 0 DEABLO Cc1nnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)s1 ZINC000096216708 402070314 /nfs/dbraw/zinc/07/03/14/402070314.db2.gz RBNOUMBKPLTRIO-ZDUSSCGKSA-N 1 2 319.434 2.106 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096209471 402070942 /nfs/dbraw/zinc/07/09/42/402070942.db2.gz KZAVCEUDFIWKRS-RDJZCZTQSA-N 1 2 315.373 2.190 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096209471 402070945 /nfs/dbraw/zinc/07/09/45/402070945.db2.gz KZAVCEUDFIWKRS-RDJZCZTQSA-N 1 2 315.373 2.190 40 0 DEABLO Cc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1 ZINC000096187464 402065671 /nfs/dbraw/zinc/06/56/71/402065671.db2.gz YGTCULLIJKXUPM-UHFFFAOYSA-N 1 2 318.446 2.050 40 0 DEABLO Cc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1 ZINC000096187464 402065674 /nfs/dbraw/zinc/06/56/74/402065674.db2.gz YGTCULLIJKXUPM-UHFFFAOYSA-N 1 2 318.446 2.050 40 0 DEABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccsc1 ZINC000096201272 402068277 /nfs/dbraw/zinc/06/82/77/402068277.db2.gz LOWIQHVYDANHQJ-GFCCVEGCSA-N 1 2 314.418 2.161 40 0 DEABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000222748622 402308791 /nfs/dbraw/zinc/30/87/91/402308791.db2.gz PMLGBHWEHGKPQM-AWEZNQCLSA-N 1 2 302.418 2.107 40 0 DEABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000224852988 402314820 /nfs/dbraw/zinc/31/48/20/402314820.db2.gz RLKZVZUNGDUGBD-CQSZACIVSA-N 1 2 302.418 2.107 40 0 DEABLO COc1cc(C[NH+]2CC3(C2)C[C@H](OC)CCO3)cc(OC)c1 ZINC000247963703 402579617 /nfs/dbraw/zinc/57/96/17/402579617.db2.gz RPFTZXXTSUAJNK-CQSZACIVSA-N 1 2 307.390 2.084 40 0 DEABLO O=C1CCCN1C[C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000247855238 402576754 /nfs/dbraw/zinc/57/67/54/402576754.db2.gz JJZBBXOVMYLJIM-CQSZACIVSA-N 1 2 316.430 2.124 40 0 DEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2CCOCC2)cc[nH+]1 ZINC000257205013 402702695 /nfs/dbraw/zinc/70/26/95/402702695.db2.gz AXFWKKXARVDIMQ-HNNXBMFYSA-N 1 2 303.406 2.238 40 0 DEABLO Cc1ccc(Cl)cc1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000026505252 301599355 /nfs/dbraw/zinc/59/93/55/301599355.db2.gz CVXBPNFIRICOGM-QWRGUYRKSA-N 1 2 316.835 2.302 40 0 DEABLO CC(C)(C)c1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000023227795 190648267 /nfs/dbraw/zinc/64/82/67/190648267.db2.gz CFOTXCZDVUHFQG-UHFFFAOYSA-N 1 2 318.461 2.365 40 0 DEABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000008025016 354009197 /nfs/dbraw/zinc/00/91/97/354009197.db2.gz XURYWBDEGWFQQA-INIZCTEOSA-N 1 2 317.389 2.256 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cc(C)ccc2C)Cc2ccnn21 ZINC000585113109 357335430 /nfs/dbraw/zinc/33/54/30/357335430.db2.gz ZWKPHKDCAPIGCA-QGZVFWFLSA-N 1 2 312.417 2.193 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)Cc2ccnn21 ZINC000585113109 357335435 /nfs/dbraw/zinc/33/54/35/357335435.db2.gz ZWKPHKDCAPIGCA-QGZVFWFLSA-N 1 2 312.417 2.193 40 0 DEABLO CCCc1nnsc1C(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257209452 202946335 /nfs/dbraw/zinc/94/63/35/202946335.db2.gz BQKQYSHHJJXNKW-SNVBAGLBSA-N 1 2 305.407 2.152 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc3cccnc32)[nH+]1 ZINC000257303598 203027919 /nfs/dbraw/zinc/02/79/19/203027919.db2.gz SHWVRNQDIZFWBK-OAHLLOKOSA-N 1 2 322.368 2.480 40 0 DEABLO COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257307878 203031627 /nfs/dbraw/zinc/03/16/27/203031627.db2.gz TULWEQZOHRSRFB-CYBMUJFWSA-N 1 2 319.336 2.080 40 0 DEABLO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257282226 203009917 /nfs/dbraw/zinc/00/99/17/203009917.db2.gz OSYNWOHJTIWSRR-CQSZACIVSA-N 1 2 321.402 2.253 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257292480 203017615 /nfs/dbraw/zinc/01/76/15/203017615.db2.gz QLRKFLGYQCHWDO-AWEZNQCLSA-N 1 2 323.400 2.094 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257327205 203051991 /nfs/dbraw/zinc/05/19/91/203051991.db2.gz XALWRYVROIHIMH-CYBMUJFWSA-N 1 2 309.373 2.304 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000257334603 203055564 /nfs/dbraw/zinc/05/55/64/203055564.db2.gz YGQCCWGNYMHFNX-CYBMUJFWSA-N 1 2 313.357 2.467 40 0 DEABLO c1cnc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257313896 203039148 /nfs/dbraw/zinc/03/91/48/203039148.db2.gz UUPDYMQIKCKNRF-MRXNPFEDSA-N 1 2 310.405 2.204 40 0 DEABLO c1cnc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257313896 203039151 /nfs/dbraw/zinc/03/91/51/203039151.db2.gz UUPDYMQIKCKNRF-MRXNPFEDSA-N 1 2 310.405 2.204 40 0 DEABLO COCC(=O)N1CCC(c2[nH+]c(C)n3c(C)csc23)CC1 ZINC000019240554 182111900 /nfs/dbraw/zinc/11/19/00/182111900.db2.gz URUXXAQLJUWRIF-UHFFFAOYSA-N 1 2 307.419 2.365 40 0 DEABLO c1cc(C[NH+]2CCN(c3ncnc4c3CCCC4)CC2)ccn1 ZINC000129103149 401798947 /nfs/dbraw/zinc/79/89/47/401798947.db2.gz ZTICEZPDSTVJJJ-UHFFFAOYSA-N 1 2 309.417 2.073 40 0 DEABLO CCC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000127930731 401756154 /nfs/dbraw/zinc/75/61/54/401756154.db2.gz UVPINVIYBYMSMM-OAHLLOKOSA-N 1 2 309.454 2.073 40 0 DEABLO COc1ccc([C@@H](NC(=O)C(C)C)c2[nH+]ccn2C)cc1OC ZINC000012114935 401779496 /nfs/dbraw/zinc/77/94/96/401779496.db2.gz VQOGOLIMSRUWGY-OAHLLOKOSA-N 1 2 317.389 2.299 40 0 DEABLO COc1ncccc1C[N@@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042068 402048973 /nfs/dbraw/zinc/04/89/73/402048973.db2.gz PTYWOOZGQHHYTD-YESZJQIVSA-N 1 2 318.417 2.249 40 0 DEABLO COc1ncccc1C[N@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042068 402048976 /nfs/dbraw/zinc/04/89/76/402048976.db2.gz PTYWOOZGQHHYTD-YESZJQIVSA-N 1 2 318.417 2.249 40 0 DEABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)n1 ZINC000096042971 402049390 /nfs/dbraw/zinc/04/93/90/402049390.db2.gz SIMPIVTZHFAGNK-RWMBFGLXSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)n1 ZINC000096042971 402049391 /nfs/dbraw/zinc/04/93/91/402049391.db2.gz SIMPIVTZHFAGNK-RWMBFGLXSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096042961 402049789 /nfs/dbraw/zinc/04/97/89/402049789.db2.gz DBINXOKOOFOKKE-SDDRHHMPSA-N 1 2 306.391 2.187 40 0 DEABLO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096042961 402049793 /nfs/dbraw/zinc/04/97/93/402049793.db2.gz DBINXOKOOFOKKE-SDDRHHMPSA-N 1 2 306.391 2.187 40 0 DEABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096045475 402050285 /nfs/dbraw/zinc/05/02/85/402050285.db2.gz VSPFHIIBRZLSJL-ZDUSSCGKSA-N 1 2 318.446 2.403 40 0 DEABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096045475 402050288 /nfs/dbraw/zinc/05/02/88/402050288.db2.gz VSPFHIIBRZLSJL-ZDUSSCGKSA-N 1 2 318.446 2.403 40 0 DEABLO Cc1occc1C(=O)N1CCC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096048573 402051290 /nfs/dbraw/zinc/05/12/90/402051290.db2.gz DYCOFRSDVSPMDT-RHSMWYFYSA-N 1 2 315.373 2.421 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080504 402057163 /nfs/dbraw/zinc/05/71/63/402057163.db2.gz WOXILZNDGVOCNS-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080504 402057164 /nfs/dbraw/zinc/05/71/64/402057164.db2.gz WOXILZNDGVOCNS-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)no1 ZINC000096207165 402069494 /nfs/dbraw/zinc/06/94/94/402069494.db2.gz FEGIVMNMJVHDSN-OAHLLOKOSA-N 1 2 316.405 2.238 40 0 DEABLO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217926 402140308 /nfs/dbraw/zinc/14/03/08/402140308.db2.gz YQQKMVQVOIJPHO-RYUDHWBXSA-N 1 2 318.421 2.420 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248050546 402581534 /nfs/dbraw/zinc/58/15/34/402581534.db2.gz QYZFJBFMXZMWJD-CYBMUJFWSA-N 1 2 318.446 2.106 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248050546 402581535 /nfs/dbraw/zinc/58/15/35/402581535.db2.gz QYZFJBFMXZMWJD-CYBMUJFWSA-N 1 2 318.446 2.106 40 0 DEABLO Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257214612 402703978 /nfs/dbraw/zinc/70/39/78/402703978.db2.gz CMQIKKHWXYRVNX-JHJVBQTASA-N 1 2 305.403 2.138 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccnc(Cc3cccc(F)c3)c2)c1 ZINC000257221964 402705153 /nfs/dbraw/zinc/70/51/53/402705153.db2.gz DRHRRARZZPNXSV-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257226792 402705485 /nfs/dbraw/zinc/70/54/85/402705485.db2.gz FMFLHXYPZHYSEN-GFCCVEGCSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257224100 402705665 /nfs/dbraw/zinc/70/56/65/402705665.db2.gz FAHPMXYDAKPLAN-CQSZACIVSA-N 1 2 323.400 2.474 40 0 DEABLO CCNc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329068322 404218886 /nfs/dbraw/zinc/21/88/86/404218886.db2.gz YPJVPDLDVGKNMJ-UHFFFAOYSA-N 1 2 305.385 2.426 40 0 DEABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329006388 404197497 /nfs/dbraw/zinc/19/74/97/404197497.db2.gz LDWTWKDLGQKOII-ZDUSSCGKSA-N 1 2 312.417 2.351 40 0 DEABLO Cn1ccnc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000342141001 404396412 /nfs/dbraw/zinc/39/64/12/404396412.db2.gz YGWMLUYWIZJESU-UHFFFAOYSA-N 1 2 306.360 2.411 40 0 DEABLO Cn1ccnc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000342141001 404396416 /nfs/dbraw/zinc/39/64/16/404396416.db2.gz YGWMLUYWIZJESU-UHFFFAOYSA-N 1 2 306.360 2.411 40 0 DEABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328997262 424902829 /nfs/dbraw/zinc/90/28/29/424902829.db2.gz JNGZBHGCSCVLAQ-OAHLLOKOSA-N 1 2 315.421 2.788 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3ncccc3c2)[nH+]1 ZINC000257294155 301024624 /nfs/dbraw/zinc/02/46/24/301024624.db2.gz QSUJPBUGMWBXFP-INIZCTEOSA-N 1 2 322.368 2.480 40 0 DEABLO CCOC[C@@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000253382810 186302383 /nfs/dbraw/zinc/30/23/83/186302383.db2.gz JIPIQWJCKKBURR-AWEZNQCLSA-N 1 2 305.374 2.043 40 0 DEABLO COc1cccc([C@H](NC(=O)C2CC2)c2[nH+]ccn2C)c1OC ZINC000072346357 191128237 /nfs/dbraw/zinc/12/82/37/191128237.db2.gz DKHVEWMBTIVCQP-AWEZNQCLSA-N 1 2 315.373 2.053 40 0 DEABLO Cn1ccnc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000096199417 282741907 /nfs/dbraw/zinc/74/19/07/282741907.db2.gz NZVOBQBMJGENNQ-MRXNPFEDSA-N 1 2 324.428 2.058 40 0 DEABLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072366177 191135867 /nfs/dbraw/zinc/13/58/67/191135867.db2.gz GNGMNCYLQIJPIH-LBPRGKRZSA-N 1 2 319.434 2.214 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072366177 191135870 /nfs/dbraw/zinc/13/58/70/191135870.db2.gz GNGMNCYLQIJPIH-LBPRGKRZSA-N 1 2 319.434 2.214 40 0 DEABLO CCn1nc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1C ZINC000257303804 203026729 /nfs/dbraw/zinc/02/67/29/203026729.db2.gz SITTUCXPAQFAAM-QGZVFWFLSA-N 1 2 312.417 2.340 40 0 DEABLO CCn1nc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1C ZINC000257303804 203026733 /nfs/dbraw/zinc/02/67/33/203026733.db2.gz SITTUCXPAQFAAM-QGZVFWFLSA-N 1 2 312.417 2.340 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257309468 203034495 /nfs/dbraw/zinc/03/44/95/203034495.db2.gz UBAZCLBCJITAIX-LBPRGKRZSA-N 1 2 304.419 2.432 40 0 DEABLO CC(=O)N1CCC[C@@H](c2nc(C)cc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257280716 203008888 /nfs/dbraw/zinc/00/88/88/203008888.db2.gz OMBIDXXKSADPCP-CQSZACIVSA-N 1 2 313.405 2.220 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257329976 203052652 /nfs/dbraw/zinc/05/26/52/203052652.db2.gz XMFYILJBGFZRAC-CQSZACIVSA-N 1 2 323.400 2.314 40 0 DEABLO CN(C(=O)c1cncs1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257313904 203038126 /nfs/dbraw/zinc/03/81/26/203038126.db2.gz UUPTXQZOSRCBSB-GFCCVEGCSA-N 1 2 302.403 2.279 40 0 DEABLO Cc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)o1 ZINC000019216628 182108038 /nfs/dbraw/zinc/10/80/38/182108038.db2.gz XGHSQVZWBAEUKZ-UHFFFAOYSA-N 1 2 322.368 2.292 40 0 DEABLO Cc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)o1 ZINC000019216628 182108039 /nfs/dbraw/zinc/10/80/39/182108039.db2.gz XGHSQVZWBAEUKZ-UHFFFAOYSA-N 1 2 322.368 2.292 40 0 DEABLO CCc1ccccc1O[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020050287 182183835 /nfs/dbraw/zinc/18/38/35/182183835.db2.gz PGIXMLCNKXAIEB-CQSZACIVSA-N 1 2 301.390 2.419 40 0 DEABLO O=C(NCCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038757016 183009261 /nfs/dbraw/zinc/00/92/61/183009261.db2.gz QNSDUEOFOZQDFJ-UHFFFAOYSA-N 1 2 324.424 2.491 40 0 DEABLO COc1cccc(OC)c1C[N@H+](CCO)Cc1cccnc1 ZINC000013569574 401801283 /nfs/dbraw/zinc/80/12/83/401801283.db2.gz WURIDNRRAIMKSY-UHFFFAOYSA-N 1 2 302.374 2.093 40 0 DEABLO COc1cccc(OC)c1C[N@@H+](CCO)Cc1cccnc1 ZINC000013569574 401801286 /nfs/dbraw/zinc/80/12/86/401801286.db2.gz WURIDNRRAIMKSY-UHFFFAOYSA-N 1 2 302.374 2.093 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2ccncc2)CC[N@@H+]1C ZINC000036132097 401903170 /nfs/dbraw/zinc/90/31/70/401903170.db2.gz SJGHRVUEABUZSU-MRXNPFEDSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2ccncc2)CC[N@H+]1C ZINC000036132097 401903171 /nfs/dbraw/zinc/90/31/71/401903171.db2.gz SJGHRVUEABUZSU-MRXNPFEDSA-N 1 2 311.385 2.219 40 0 DEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041439 402048837 /nfs/dbraw/zinc/04/88/37/402048837.db2.gz NSMQGIAJFPWSTI-YSVLISHTSA-N 1 2 305.374 2.184 40 0 DEABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041439 402048838 /nfs/dbraw/zinc/04/88/38/402048838.db2.gz NSMQGIAJFPWSTI-YSVLISHTSA-N 1 2 305.374 2.184 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045062 402049401 /nfs/dbraw/zinc/04/94/01/402049401.db2.gz XLFVSVMWORGNHG-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(CC3CC3)c21 ZINC000096045062 402049402 /nfs/dbraw/zinc/04/94/02/402049402.db2.gz XLFVSVMWORGNHG-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4csc(C)n4)C[C@H]3O2)no1 ZINC000096046185 402050437 /nfs/dbraw/zinc/05/04/37/402050437.db2.gz FXODEWATTQXDMD-IACUBPJLSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4csc(C)n4)C[C@H]3O2)no1 ZINC000096046185 402050439 /nfs/dbraw/zinc/05/04/39/402050439.db2.gz FXODEWATTQXDMD-IACUBPJLSA-N 1 2 320.418 2.495 40 0 DEABLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049125 402050644 /nfs/dbraw/zinc/05/06/44/402050644.db2.gz XGIHGEATJPTVLU-KRWDZBQOSA-N 1 2 306.406 2.129 40 0 DEABLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049125 402050646 /nfs/dbraw/zinc/05/06/46/402050646.db2.gz XGIHGEATJPTVLU-KRWDZBQOSA-N 1 2 306.406 2.129 40 0 DEABLO Cc1cccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)n1 ZINC000096188551 402066931 /nfs/dbraw/zinc/06/69/31/402066931.db2.gz MYDQOSXHTDZYLS-INIZCTEOSA-N 1 2 322.416 2.115 40 0 DEABLO Cc1cccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)n1 ZINC000096188551 402066934 /nfs/dbraw/zinc/06/69/34/402066934.db2.gz MYDQOSXHTDZYLS-INIZCTEOSA-N 1 2 322.416 2.115 40 0 DEABLO C[N@@H+]1CCO[C@@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 ZINC000257225587 402705700 /nfs/dbraw/zinc/70/57/00/402705700.db2.gz FGXBEIMFDLZSSO-MRXNPFEDSA-N 1 2 317.414 2.025 40 0 DEABLO C[N@H+]1CCO[C@@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 ZINC000257225587 402705703 /nfs/dbraw/zinc/70/57/03/402705703.db2.gz FGXBEIMFDLZSSO-MRXNPFEDSA-N 1 2 317.414 2.025 40 0 DEABLO Nc1cccc([C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)n1 ZINC000257245805 402708390 /nfs/dbraw/zinc/70/83/90/402708390.db2.gz IRDSBKMTCQIHPK-INIZCTEOSA-N 1 2 317.364 2.255 40 0 DEABLO Nc1cccc([C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)n1 ZINC000257245805 402708392 /nfs/dbraw/zinc/70/83/92/402708392.db2.gz IRDSBKMTCQIHPK-INIZCTEOSA-N 1 2 317.364 2.255 40 0 DEABLO c1c[nH]c(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257332537 402712197 /nfs/dbraw/zinc/71/21/97/402712197.db2.gz XXSHHLWARIRGMF-WMZOPIPTSA-N 1 2 313.401 2.360 40 0 DEABLO c1c[nH]c(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257332537 402712199 /nfs/dbraw/zinc/71/21/99/402712199.db2.gz XXSHHLWARIRGMF-WMZOPIPTSA-N 1 2 313.401 2.360 40 0 DEABLO c1c[nH+]c(CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)[nH]1 ZINC000257332537 402712201 /nfs/dbraw/zinc/71/22/01/402712201.db2.gz XXSHHLWARIRGMF-WMZOPIPTSA-N 1 2 313.401 2.360 40 0 DEABLO c1ncn2c1C[N@H+](Cc1cn[nH]c1)[C@H](COc1ccccc1)CC2 ZINC000585098043 405867804 /nfs/dbraw/zinc/86/78/04/405867804.db2.gz SQRHIFJXXLMHKC-INIZCTEOSA-N 1 2 323.400 2.460 40 0 DEABLO c1ncn2c1C[N@@H+](Cc1cn[nH]c1)[C@H](COc1ccccc1)CC2 ZINC000585098043 405867811 /nfs/dbraw/zinc/86/78/11/405867811.db2.gz SQRHIFJXXLMHKC-INIZCTEOSA-N 1 2 323.400 2.460 40 0 DEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1[nH]nc2ccccc21 ZINC000131112502 196140276 /nfs/dbraw/zinc/14/02/76/196140276.db2.gz FDDLECIQKANDQU-ZDUSSCGKSA-N 1 2 321.384 2.357 40 0 DEABLO Cc1nc2c(cnn2C[NH+]2CCCCC2)c(=O)n1-c1ccccc1 ZINC000031771743 282020180 /nfs/dbraw/zinc/02/01/80/282020180.db2.gz MFDKRMXNYOSNAE-UHFFFAOYSA-N 1 2 323.400 2.334 40 0 DEABLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nccs1 ZINC000012117348 295497846 /nfs/dbraw/zinc/49/78/46/295497846.db2.gz PMJUOWLODNELTN-UHFFFAOYSA-N 1 2 302.403 2.356 40 0 DEABLO Cc1nc(N2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)cc[nH+]1 ZINC000257337556 302709312 /nfs/dbraw/zinc/70/93/12/302709312.db2.gz YTHFGANKIZCVEU-ZDUSSCGKSA-N 1 2 310.361 2.265 40 0 DEABLO CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439479 185171823 /nfs/dbraw/zinc/17/18/23/185171823.db2.gz GCNDRINEZNODLG-LBPRGKRZSA-N 1 2 319.409 2.472 40 0 DEABLO CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439479 185171824 /nfs/dbraw/zinc/17/18/24/185171824.db2.gz GCNDRINEZNODLG-LBPRGKRZSA-N 1 2 319.409 2.472 40 0 DEABLO Cc1cc(N2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)ncn1 ZINC000072359252 191130292 /nfs/dbraw/zinc/13/02/92/191130292.db2.gz ZXZASXPUBYXUMA-CQSZACIVSA-N 1 2 321.388 2.145 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585275008 357342669 /nfs/dbraw/zinc/34/26/69/357342669.db2.gz TVEYFSWOEDIESD-IRXDYDNUSA-N 1 2 303.381 2.425 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585275008 357342670 /nfs/dbraw/zinc/34/26/70/357342670.db2.gz TVEYFSWOEDIESD-IRXDYDNUSA-N 1 2 303.381 2.425 40 0 DEABLO Cc1nonc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289592 357344473 /nfs/dbraw/zinc/34/44/73/357344473.db2.gz KMKJWXMXIVHQAB-GVDBMIGSSA-N 1 2 317.389 2.171 40 0 DEABLO Cc1nonc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289592 357344479 /nfs/dbraw/zinc/34/44/79/357344479.db2.gz KMKJWXMXIVHQAB-GVDBMIGSSA-N 1 2 317.389 2.171 40 0 DEABLO O[C@@H]1[C@@H](C[NH2+]Cc2ccn[nH]2)CCC[C@H]1Oc1ccccc1 ZINC000585286592 357345253 /nfs/dbraw/zinc/34/52/53/357345253.db2.gz MLIFLNSIZUWYPZ-KBRIMQKVSA-N 1 2 301.390 2.108 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257299549 203022364 /nfs/dbraw/zinc/02/23/64/203022364.db2.gz RQMGEALWZNVEPJ-LBPRGKRZSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC000257300779 203026355 /nfs/dbraw/zinc/02/63/55/203026355.db2.gz RVQMQTCEZDYMBW-OAHLLOKOSA-N 1 2 319.430 2.459 40 0 DEABLO Cc1ccc(C[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000257334140 203056707 /nfs/dbraw/zinc/05/67/07/203056707.db2.gz YESAPDGESQWHLN-QGZVFWFLSA-N 1 2 312.417 2.458 40 0 DEABLO O=C(c1ccoc1)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096068053 284732130 /nfs/dbraw/zinc/73/21/30/284732130.db2.gz AWCZHDHQHJNYMW-UHFFFAOYSA-N 1 2 323.356 2.139 40 0 DEABLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1cccc[nH+]1 ZINC000107709525 284761643 /nfs/dbraw/zinc/76/16/43/284761643.db2.gz ORBFLQCFFQCZBZ-OLZOCXBDSA-N 1 2 300.387 2.032 40 0 DEABLO O=C1N(c2ccccc2)C[C@H]2C[N@@H+](Cc3ccccn3)CCN12 ZINC000077266507 296354115 /nfs/dbraw/zinc/35/41/15/296354115.db2.gz XCFKINBUOSBRBQ-QGZVFWFLSA-N 1 2 308.385 2.208 40 0 biogenic,in-vitro DEABLO O=C1N(c2ccccc2)C[C@H]2C[N@H+](Cc3ccccn3)CCN12 ZINC000077266507 296354116 /nfs/dbraw/zinc/35/41/16/296354116.db2.gz XCFKINBUOSBRBQ-QGZVFWFLSA-N 1 2 308.385 2.208 40 0 biogenic,in-vitro DEABLO COc1ccccc1[C@@H](NC(=O)c1ccccn1)c1[nH+]ccn1C ZINC000012114903 401779313 /nfs/dbraw/zinc/77/93/13/401779313.db2.gz GDRIXIASKRDXFK-MRXNPFEDSA-N 1 2 322.368 2.343 40 0 DEABLO CCc1nnsc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019521873 401822083 /nfs/dbraw/zinc/82/20/83/401822083.db2.gz NALVHZRZVVMSAM-CQSZACIVSA-N 1 2 316.430 2.229 40 0 DEABLO CCc1nnsc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019521873 401822086 /nfs/dbraw/zinc/82/20/86/401822086.db2.gz NALVHZRZVVMSAM-CQSZACIVSA-N 1 2 316.430 2.229 40 0 DEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)co1 ZINC000096042112 402048801 /nfs/dbraw/zinc/04/88/01/402048801.db2.gz QQRTWOXFNNNPDD-YESZJQIVSA-N 1 2 300.358 2.485 40 0 DEABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)co1 ZINC000096042112 402048803 /nfs/dbraw/zinc/04/88/03/402048803.db2.gz QQRTWOXFNNNPDD-YESZJQIVSA-N 1 2 300.358 2.485 40 0 DEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)nc1 ZINC000096041684 402048991 /nfs/dbraw/zinc/04/89/91/402048991.db2.gz HXUFKNFYHNXYON-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)nc1 ZINC000096041684 402048994 /nfs/dbraw/zinc/04/89/94/402048994.db2.gz HXUFKNFYHNXYON-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3nccs3)[C@H]2C1 ZINC000096054184 402052891 /nfs/dbraw/zinc/05/28/91/402052891.db2.gz GDWIABOJQYISHE-OLZOCXBDSA-N 1 2 317.414 2.473 40 0 DEABLO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3nccs3)[C@H]2C1 ZINC000096054184 402052893 /nfs/dbraw/zinc/05/28/93/402052893.db2.gz GDWIABOJQYISHE-OLZOCXBDSA-N 1 2 317.414 2.473 40 0 DEABLO c1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccncc2)CCO3)nc1 ZINC000096074775 402057223 /nfs/dbraw/zinc/05/72/23/402057223.db2.gz JRYKAMGKVMMUBS-IBGZPJMESA-N 1 2 324.428 2.348 40 0 DEABLO c1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)nc1 ZINC000096074775 402057224 /nfs/dbraw/zinc/05/72/24/402057224.db2.gz JRYKAMGKVMMUBS-IBGZPJMESA-N 1 2 324.428 2.348 40 0 DEABLO CCOc1ncnc2c1CC[N@H+](Cc1csc(C)n1)CC2 ZINC000096255603 402075556 /nfs/dbraw/zinc/07/55/56/402075556.db2.gz GGJPLLLGPCXKHU-UHFFFAOYSA-N 1 2 304.419 2.241 40 0 DEABLO CCOc1ncnc2c1CC[N@@H+](Cc1csc(C)n1)CC2 ZINC000096255603 402075557 /nfs/dbraw/zinc/07/55/57/402075557.db2.gz GGJPLLLGPCXKHU-UHFFFAOYSA-N 1 2 304.419 2.241 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000097953759 402133886 /nfs/dbraw/zinc/13/38/86/402133886.db2.gz WDSYEINIICHFND-YQQAZPJKSA-N 1 2 300.358 2.485 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000097953759 402133889 /nfs/dbraw/zinc/13/38/89/402133889.db2.gz WDSYEINIICHFND-YQQAZPJKSA-N 1 2 300.358 2.485 40 0 DEABLO CCOc1ncccc1C(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257226654 402705533 /nfs/dbraw/zinc/70/55/33/402705533.db2.gz FLORLLXVRQUELM-LBPRGKRZSA-N 1 2 300.362 2.142 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257226793 402705758 /nfs/dbraw/zinc/70/57/58/402705758.db2.gz FMFLHXYPZHYSEN-LBPRGKRZSA-N 1 2 323.393 2.426 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257231433 402706435 /nfs/dbraw/zinc/70/64/35/402706435.db2.gz GGQQAXAQKPUWEO-CYBMUJFWSA-N 1 2 318.446 2.442 40 0 DEABLO COc1ccc(C[N@@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)cc1 ZINC000585093333 405865741 /nfs/dbraw/zinc/86/57/41/405865741.db2.gz PQOVJAFPVYRTOH-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO COc1ccc(C[N@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)cc1 ZINC000585093333 405865748 /nfs/dbraw/zinc/86/57/48/405865748.db2.gz PQOVJAFPVYRTOH-HNNXBMFYSA-N 1 2 310.344 2.043 40 0 DEABLO COC[C@H]1CCn2c[nH+]cc2CN1C(=O)Cc1ccc(C)cc1 ZINC000585098165 405868110 /nfs/dbraw/zinc/86/81/10/405868110.db2.gz VKADWWGRTSJVMH-MRXNPFEDSA-N 1 2 313.401 2.182 40 0 DEABLO Cc1nc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000131083243 196138396 /nfs/dbraw/zinc/13/83/96/196138396.db2.gz HBPONPHAYFCEPG-ZDUSSCGKSA-N 1 2 316.430 2.174 40 0 DEABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)c1cnco1 ZINC000257208330 295415102 /nfs/dbraw/zinc/41/51/02/295415102.db2.gz BLSKSWCSYMBAKU-CYBMUJFWSA-N 1 2 324.340 2.277 40 0 DEABLO CC(C)CNC(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306139876 528064030 /nfs/dbraw/zinc/06/40/30/528064030.db2.gz UDGGFLLERCFDGJ-CQSZACIVSA-N 1 2 300.406 2.487 40 0 DEABLO CC(C)CNC(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306139876 528064036 /nfs/dbraw/zinc/06/40/36/528064036.db2.gz UDGGFLLERCFDGJ-CQSZACIVSA-N 1 2 300.406 2.487 40 0 DEABLO CO[C@@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274854 357342678 /nfs/dbraw/zinc/34/26/78/357342678.db2.gz PNHCBVWWCTWZMQ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274854 357342679 /nfs/dbraw/zinc/34/26/79/357342679.db2.gz PNHCBVWWCTWZMQ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cc(C)on3)CC[N@@H+]2C)cc1 ZINC000257307558 203031151 /nfs/dbraw/zinc/03/11/51/203031151.db2.gz SZFBNVFTLBMHPU-MRXNPFEDSA-N 1 2 315.373 2.121 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cc(C)on3)CC[N@H+]2C)cc1 ZINC000257307558 203031153 /nfs/dbraw/zinc/03/11/53/203031153.db2.gz SZFBNVFTLBMHPU-MRXNPFEDSA-N 1 2 315.373 2.121 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccnc(Cc3ccc(F)cc3)c2)c1 ZINC000257308887 203034749 /nfs/dbraw/zinc/03/47/49/203034749.db2.gz TYPNZXCPNDLELK-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257278999 203009086 /nfs/dbraw/zinc/00/90/86/203009086.db2.gz OENVIWZSTAEPCO-HNNXBMFYSA-N 1 2 315.421 2.099 40 0 DEABLO CNc1cc([C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)cc[nH+]1 ZINC000257285138 203011689 /nfs/dbraw/zinc/01/16/89/203011689.db2.gz PFVAPMCLGXQGSD-AWEZNQCLSA-N 1 2 311.389 2.242 40 0 DEABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)cc[nH+]1 ZINC000257327132 203051978 /nfs/dbraw/zinc/05/19/78/203051978.db2.gz XABQPDGHOVFHSN-ZDUSSCGKSA-N 1 2 319.796 2.337 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH+]1 ZINC000257319604 203043925 /nfs/dbraw/zinc/04/39/25/203043925.db2.gz VTGBRQRVNDQZMQ-ZDUSSCGKSA-N 1 2 305.403 2.205 40 0 DEABLO CC[NH+](CC)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000019202036 182107196 /nfs/dbraw/zinc/10/71/96/182107196.db2.gz LNPNNNZZOGKSHV-UHFFFAOYSA-N 1 2 311.179 2.278 40 0 DEABLO CCN(CCCO)c1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000040227537 183047798 /nfs/dbraw/zinc/04/77/98/183047798.db2.gz QORGYWIEUJTBMA-UHFFFAOYSA-N 1 2 311.389 2.333 40 0 DEABLO Cc1cc2occ(CC(=O)NCC[NH+]3CCOCC3)c2c(C)c1 ZINC000027232853 401844403 /nfs/dbraw/zinc/84/44/03/401844403.db2.gz ANAJGFOCLGRMGU-UHFFFAOYSA-N 1 2 316.401 2.041 40 0 DEABLO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)nc1 ZINC000096041863 402048966 /nfs/dbraw/zinc/04/89/66/402048966.db2.gz HFVCTYSAKDHUFN-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000096041863 402048967 /nfs/dbraw/zinc/04/89/67/402048967.db2.gz HFVCTYSAKDHUFN-LZLYRXPVSA-N 1 2 311.385 2.287 40 0 DEABLO CC[C@@]1(C)NN=C2C=CC3=C([NH2+]N[C@@](C)(CC)c4cccn43)N21 ZINC000103982856 402196167 /nfs/dbraw/zinc/19/61/67/402196167.db2.gz PDUKIRLVLWWWDE-IRXDYDNUSA-N 1 2 312.421 2.262 40 0 DEABLO COC[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247893129 402577311 /nfs/dbraw/zinc/57/73/11/402577311.db2.gz UDTMGMXKKNTIBO-QGZVFWFLSA-N 1 2 301.390 2.103 40 0 DEABLO COC[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247893129 402577314 /nfs/dbraw/zinc/57/73/14/402577314.db2.gz UDTMGMXKKNTIBO-QGZVFWFLSA-N 1 2 301.390 2.103 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257221954 402704978 /nfs/dbraw/zinc/70/49/78/402704978.db2.gz DRHBZACOTVMEII-LBPRGKRZSA-N 1 2 304.350 2.011 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)no1 ZINC000257238085 402706854 /nfs/dbraw/zinc/70/68/54/402706854.db2.gz HJMYDDYGBWWNGZ-IAGOWNOFSA-N 1 2 302.374 2.387 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)no1 ZINC000257238085 402706858 /nfs/dbraw/zinc/70/68/58/402706858.db2.gz HJMYDDYGBWWNGZ-IAGOWNOFSA-N 1 2 302.374 2.387 40 0 DEABLO Cc1ccc(C[C@H]2CC[C@@H]3CN(C(=O)c4nccn4C)C[C@H]23)[nH+]c1 ZINC000257236058 402707082 /nfs/dbraw/zinc/70/70/82/402707082.db2.gz HAQGXONVYIMMIG-BFYDXBDKSA-N 1 2 324.428 2.464 40 0 DEABLO COc1ccc([C@@H]2CN(Cc3cnn(C)c3C)CC[N@@H+]2C)cc1 ZINC000257266353 402710633 /nfs/dbraw/zinc/71/06/33/402710633.db2.gz MCQILGXHEGRRDZ-SFHVURJKSA-N 1 2 314.433 2.226 40 0 DEABLO COc1ccc([C@@H]2CN(Cc3cnn(C)c3C)CC[N@H+]2C)cc1 ZINC000257266353 402710636 /nfs/dbraw/zinc/71/06/36/402710636.db2.gz MCQILGXHEGRRDZ-SFHVURJKSA-N 1 2 314.433 2.226 40 0 DEABLO Fc1ccc(OCC[N@@H+]2CCO[C@@H](c3cnccn3)C2)cc1 ZINC000257324973 402712120 /nfs/dbraw/zinc/71/21/20/402712120.db2.gz WQZHOPAQSCTNNI-MRXNPFEDSA-N 1 2 303.337 2.068 40 0 DEABLO Fc1ccc(OCC[N@H+]2CCO[C@@H](c3cnccn3)C2)cc1 ZINC000257324973 402712121 /nfs/dbraw/zinc/71/21/21/402712121.db2.gz WQZHOPAQSCTNNI-MRXNPFEDSA-N 1 2 303.337 2.068 40 0 DEABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1C ZINC000261364545 402713092 /nfs/dbraw/zinc/71/30/92/402713092.db2.gz LZYLXNVODYRLTP-VIFPVBQESA-O 1 2 317.394 2.134 40 0 DEABLO Cc1ccn(CCC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257202827 402702407 /nfs/dbraw/zinc/70/24/07/402702407.db2.gz ANPLRYVGVXWLOW-AWEZNQCLSA-N 1 2 301.394 2.019 40 0 DEABLO OCCCNc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329024907 404205120 /nfs/dbraw/zinc/20/51/20/404205120.db2.gz PDHVJGWRVWCOTQ-UHFFFAOYSA-N 1 2 320.343 2.014 40 0 DEABLO COc1ccccc1C[N@@H+]1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093194 405865625 /nfs/dbraw/zinc/86/56/25/405865625.db2.gz IDTUJQQCKSLHTA-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO COc1ccccc1C[N@H+]1C[C@@]2(CCNC2=O)CC(F)(F)C1 ZINC000585093194 405865630 /nfs/dbraw/zinc/86/56/30/405865630.db2.gz IDTUJQQCKSLHTA-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO O=c1[nH]n(CC[C@@H]2Nc3ccccc3C[NH2+]2)c(=O)c2ccccc12 ZINC000409204936 227251442 /nfs/dbraw/zinc/25/14/42/227251442.db2.gz DNQFYDZQBIDVIX-INIZCTEOSA-N 1 2 322.368 2.034 40 0 DEABLO Cc1ncncc1C(=O)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257233960 279176796 /nfs/dbraw/zinc/17/67/96/279176796.db2.gz GRNAKIKJGWPREM-CQSZACIVSA-N 1 2 321.384 2.453 40 0 DEABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c(C)c1 ZINC000329030362 301185128 /nfs/dbraw/zinc/18/51/28/301185128.db2.gz QDRKKBBRCLDXSX-UHFFFAOYSA-N 1 2 312.417 2.271 40 0 DEABLO O=C(NC[C@@H]1CCc2[nH+]cc(-c3ccsc3)n21)[C@@H]1CCOC1 ZINC000306144120 534599416 /nfs/dbraw/zinc/59/94/16/534599416.db2.gz YWMYZAQZDBTEQG-YPMHNXCESA-N 1 2 317.414 2.252 40 0 DEABLO OCC[N@H+](Cc1ccccc1I)C1CC1 ZINC000079420691 185170828 /nfs/dbraw/zinc/17/08/28/185170828.db2.gz WPKDDFNQTDMHFF-UHFFFAOYSA-N 1 2 317.170 2.248 40 0 DEABLO OCC[N@@H+](Cc1ccccc1I)C1CC1 ZINC000079420691 185170829 /nfs/dbraw/zinc/17/08/29/185170829.db2.gz WPKDDFNQTDMHFF-UHFFFAOYSA-N 1 2 317.170 2.248 40 0 DEABLO CNc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000328956363 529833510 /nfs/dbraw/zinc/83/35/10/529833510.db2.gz AFGVBVSWTJRRNR-UHFFFAOYSA-N 1 2 305.385 2.079 40 0 DEABLO COC(=O)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000072366065 191134810 /nfs/dbraw/zinc/13/48/10/191134810.db2.gz AXLRKSDURDYZBP-CQSZACIVSA-N 1 2 320.389 2.355 40 0 DEABLO O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378571 191140342 /nfs/dbraw/zinc/14/03/42/191140342.db2.gz ZLWAYSSADGWADF-ZDUSSCGKSA-N 1 2 322.372 2.010 40 0 DEABLO O=C(c1ccn[nH]1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378571 191140343 /nfs/dbraw/zinc/14/03/43/191140343.db2.gz ZLWAYSSADGWADF-ZDUSSCGKSA-N 1 2 322.372 2.010 40 0 DEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 ZINC000585102596 357332881 /nfs/dbraw/zinc/33/28/81/357332881.db2.gz BQBOGPISEZQSJA-MRXNPFEDSA-N 1 2 311.385 2.147 40 0 DEABLO S=C(NC1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225826 201691290 /nfs/dbraw/zinc/69/12/90/201691290.db2.gz GABROJAVJXCPKS-UHFFFAOYSA-N 1 2 304.463 2.016 40 0 DEABLO CN(C)c1nccnc1[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000257336110 203058053 /nfs/dbraw/zinc/05/80/53/203058053.db2.gz YNFOYBPOVGGEFY-ZDUSSCGKSA-N 1 2 304.419 2.178 40 0 DEABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000257336110 203058056 /nfs/dbraw/zinc/05/80/56/203058056.db2.gz YNFOYBPOVGGEFY-ZDUSSCGKSA-N 1 2 304.419 2.178 40 0 DEABLO Cc1ccc(C[N@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257321093 203046332 /nfs/dbraw/zinc/04/63/32/203046332.db2.gz WABDYFBGLFTKIS-IBGZPJMESA-N 1 2 324.428 2.365 40 0 DEABLO Cc1ccc(C[N@@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 ZINC000257321093 203046336 /nfs/dbraw/zinc/04/63/36/203046336.db2.gz WABDYFBGLFTKIS-IBGZPJMESA-N 1 2 324.428 2.365 40 0 DEABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257328500 203050551 /nfs/dbraw/zinc/05/05/51/203050551.db2.gz XFWMSGCMUVQEKF-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257328500 203050552 /nfs/dbraw/zinc/05/05/52/203050552.db2.gz XFWMSGCMUVQEKF-QGZVFWFLSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257335388 203058141 /nfs/dbraw/zinc/05/81/41/203058141.db2.gz YJXZGWWUFRAQCM-CQSZACIVSA-N 1 2 315.421 2.017 40 0 DEABLO CCCC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019501623 182125999 /nfs/dbraw/zinc/12/59/99/182125999.db2.gz SWEWPCGRGBDFER-OAHLLOKOSA-N 1 2 302.422 2.318 40 0 DEABLO CCCC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019501623 182126002 /nfs/dbraw/zinc/12/60/02/182126002.db2.gz SWEWPCGRGBDFER-OAHLLOKOSA-N 1 2 302.422 2.318 40 0 DEABLO COc1ccc(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)cc1OC ZINC000019576597 182131085 /nfs/dbraw/zinc/13/10/85/182131085.db2.gz VXVPRTUGGYVARW-UHFFFAOYSA-N 1 2 315.373 2.066 40 0 DEABLO COc1ccc(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)cc1OC ZINC000019576597 182131087 /nfs/dbraw/zinc/13/10/87/182131087.db2.gz VXVPRTUGGYVARW-UHFFFAOYSA-N 1 2 315.373 2.066 40 0 DEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1ccnn1C ZINC000257227514 256618365 /nfs/dbraw/zinc/61/83/65/256618365.db2.gz FPRHXMZNKMBBEC-INIZCTEOSA-N 1 2 323.400 2.382 40 0 DEABLO Cc1cc2[nH+]cn(CCC(=O)NC[C@@H]3CCCO3)c2cc1C ZINC000000412087 401696721 /nfs/dbraw/zinc/69/67/21/401696721.db2.gz JGWHZVWKVJEVCT-AWEZNQCLSA-N 1 2 301.390 2.338 40 0 DEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1ccccn1)C2 ZINC000096060243 402054430 /nfs/dbraw/zinc/05/44/30/402054430.db2.gz CXCWTJIGRAHOGS-OAHLLOKOSA-N 1 2 312.417 2.341 40 0 DEABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096060839 402054621 /nfs/dbraw/zinc/05/46/21/402054621.db2.gz KKJRAUJZDNPYBC-AWEZNQCLSA-N 1 2 316.405 2.052 40 0 DEABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096060839 402054622 /nfs/dbraw/zinc/05/46/22/402054622.db2.gz KKJRAUJZDNPYBC-AWEZNQCLSA-N 1 2 316.405 2.052 40 0 DEABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2cccs2)C1 ZINC000096208032 402069870 /nfs/dbraw/zinc/06/98/70/402069870.db2.gz CBZHYTHHOHSRCA-ZDUSSCGKSA-N 1 2 319.430 2.182 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2cccc(F)c2)C1 ZINC000096244910 402074034 /nfs/dbraw/zinc/07/40/34/402074034.db2.gz GPKUCBVVBZYUCC-DOMZBBRYSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096244910 402074036 /nfs/dbraw/zinc/07/40/36/402074036.db2.gz GPKUCBVVBZYUCC-DOMZBBRYSA-N 1 2 317.389 2.239 40 0 DEABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccsc2)C1 ZINC000096187812 402066104 /nfs/dbraw/zinc/06/61/04/402066104.db2.gz GFKNJWFNALDSNB-CQSZACIVSA-N 1 2 319.430 2.182 40 0 DEABLO O=C(Cc1cccc(Br)c1)NCCCn1cc[nH+]c1 ZINC000123741713 402143893 /nfs/dbraw/zinc/14/38/93/402143893.db2.gz HHDCOOYCFQRMOS-UHFFFAOYSA-N 1 2 322.206 2.395 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccccc2F)[nH+]1 ZINC000257249332 402708469 /nfs/dbraw/zinc/70/84/69/402708469.db2.gz JHTCLVSDBLIYCS-GFCCVEGCSA-N 1 2 309.366 2.383 40 0 DEABLO Cc1ccn(CCC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257257773 402709245 /nfs/dbraw/zinc/70/92/45/402709245.db2.gz KQZSWQBZFQYMPO-OAHLLOKOSA-N 1 2 315.421 2.030 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc3ccccc3c2)[nH+]1 ZINC000257271003 402711211 /nfs/dbraw/zinc/71/12/11/402711211.db2.gz MWLNXERLHJDRBM-INIZCTEOSA-N 1 2 322.368 2.480 40 0 DEABLO c1ccc(OC[C@@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253602745 402669980 /nfs/dbraw/zinc/66/99/80/402669980.db2.gz RIMZLGKWRLOZKH-INIZCTEOSA-N 1 2 311.385 2.147 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000329070583 404219870 /nfs/dbraw/zinc/21/98/70/404219870.db2.gz ZHXRDBKLECTWMC-VIFPVBQESA-N 1 2 320.343 2.012 40 0 DEABLO CCNc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329072533 404221829 /nfs/dbraw/zinc/22/18/29/404221829.db2.gz ZYZNBRQSQUQZST-UHFFFAOYSA-N 1 2 311.414 2.488 40 0 DEABLO CC[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NC)C1 ZINC000019702909 354045075 /nfs/dbraw/zinc/04/50/75/354045075.db2.gz FQUBPLGPXFUVHH-NSHDSACASA-N 1 2 305.403 2.049 40 0 DEABLO CC[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NC)C1 ZINC000019702909 354045080 /nfs/dbraw/zinc/04/50/80/354045080.db2.gz FQUBPLGPXFUVHH-NSHDSACASA-N 1 2 305.403 2.049 40 0 DEABLO CO[C@@]1(COc2ccccc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274699 357341042 /nfs/dbraw/zinc/34/10/42/357341042.db2.gz MDFAOIYKIOBNJS-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2ccccc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274699 357341047 /nfs/dbraw/zinc/34/10/47/357341047.db2.gz MDFAOIYKIOBNJS-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269455 357341226 /nfs/dbraw/zinc/34/12/26/357341226.db2.gz VBUSACAXBCYKMH-KRWDZBQOSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269455 357341229 /nfs/dbraw/zinc/34/12/29/357341229.db2.gz VBUSACAXBCYKMH-KRWDZBQOSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1nc(N2CCC[C@H]2c2nccnc2-c2nccn2C)cc[nH+]1 ZINC000257312446 203036993 /nfs/dbraw/zinc/03/69/93/203036993.db2.gz UNZKCUCJRSNUGL-ZDUSSCGKSA-N 1 2 321.388 2.317 40 0 DEABLO CCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000257316574 203041748 /nfs/dbraw/zinc/04/17/48/203041748.db2.gz VGDUJQHCIWINTD-AWEZNQCLSA-N 1 2 314.389 2.373 40 0 DEABLO COc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674793 182011623 /nfs/dbraw/zinc/01/16/23/182011623.db2.gz RSJCHKWVCAOZEB-KGLIPLIRSA-N 1 2 315.373 2.264 40 0 biogenic,in-vitro DEABLO COc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674793 182011625 /nfs/dbraw/zinc/01/16/25/182011625.db2.gz RSJCHKWVCAOZEB-KGLIPLIRSA-N 1 2 315.373 2.264 40 0 biogenic,in-vitro DEABLO CCOc1ccc(C(=O)CC[NH+]2CCOCC2)cc1OCC ZINC000019596488 182133344 /nfs/dbraw/zinc/13/33/44/182133344.db2.gz DVJAUJDHEKQGRS-UHFFFAOYSA-N 1 2 307.390 2.389 40 0 DEABLO C[C@H](CNC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000058166263 184083452 /nfs/dbraw/zinc/08/34/52/184083452.db2.gz WYWRSQFEKYSKCP-UGUYLWEFSA-N 1 2 304.434 2.404 40 0 DEABLO CC(C)Nc1ccnc([C@@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096220518 402071997 /nfs/dbraw/zinc/07/19/97/402071997.db2.gz HXYZHLLIGXYLNW-HNNXBMFYSA-N 1 2 320.437 2.097 40 0 DEABLO CC(C)Nc1ccnc([C@@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096220518 402072000 /nfs/dbraw/zinc/07/20/00/402072000.db2.gz HXYZHLLIGXYLNW-HNNXBMFYSA-N 1 2 320.437 2.097 40 0 DEABLO c1cncc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226336 402072704 /nfs/dbraw/zinc/07/27/04/402072704.db2.gz VVTBKCYRUQQBDH-LJQANCHMSA-N 1 2 324.428 2.348 40 0 DEABLO c1cncc(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226336 402072706 /nfs/dbraw/zinc/07/27/06/402072706.db2.gz VVTBKCYRUQQBDH-LJQANCHMSA-N 1 2 324.428 2.348 40 0 DEABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096252953 402074458 /nfs/dbraw/zinc/07/44/58/402074458.db2.gz IOMBLYRMTSQETC-HLLBOEOZSA-N 1 2 320.408 2.187 40 0 DEABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096252953 402074462 /nfs/dbraw/zinc/07/44/62/402074462.db2.gz IOMBLYRMTSQETC-HLLBOEOZSA-N 1 2 320.408 2.187 40 0 DEABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096145018 402062192 /nfs/dbraw/zinc/06/21/92/402062192.db2.gz LORJBFCMZSZXEL-UHFFFAOYSA-N 1 2 304.438 2.001 40 0 DEABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)C(C)C)CC2 ZINC000096145018 402062195 /nfs/dbraw/zinc/06/21/95/402062195.db2.gz LORJBFCMZSZXEL-UHFFFAOYSA-N 1 2 304.438 2.001 40 0 DEABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)C(C)C)CC2 ZINC000096145018 402062197 /nfs/dbraw/zinc/06/21/97/402062197.db2.gz LORJBFCMZSZXEL-UHFFFAOYSA-N 1 2 304.438 2.001 40 0 DEABLO C[C@H]1CN(c2cccc[nH+]2)C[C@@]12CCN(Cc1cccnc1)C2=O ZINC000096201723 402068836 /nfs/dbraw/zinc/06/88/36/402068836.db2.gz BWENZHZNEISDNX-KXBFYZLASA-N 1 2 322.412 2.352 40 0 DEABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccncc1)C2 ZINC000100724301 402142513 /nfs/dbraw/zinc/14/25/13/402142513.db2.gz FUEKNNRCPXWSAW-UHFFFAOYSA-N 1 2 321.384 2.266 40 0 DEABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccncc1)C2 ZINC000100724301 402142516 /nfs/dbraw/zinc/14/25/16/402142516.db2.gz FUEKNNRCPXWSAW-UHFFFAOYSA-N 1 2 321.384 2.266 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cccnc3)CC[N@@H+]2C)cc1 ZINC000257223785 402704943 /nfs/dbraw/zinc/70/49/43/402704943.db2.gz DYVIMIPUOSFJBY-QGZVFWFLSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cccnc3)CC[N@H+]2C)cc1 ZINC000257223785 402704947 /nfs/dbraw/zinc/70/49/47/402704947.db2.gz DYVIMIPUOSFJBY-QGZVFWFLSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C)on2)CC[N@@H+]1C ZINC000257232273 402706170 /nfs/dbraw/zinc/70/61/70/402706170.db2.gz GKCMWCFUNOPLDN-OAHLLOKOSA-N 1 2 315.373 2.121 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C)on2)CC[N@H+]1C ZINC000257232273 402706173 /nfs/dbraw/zinc/70/61/73/402706173.db2.gz GKCMWCFUNOPLDN-OAHLLOKOSA-N 1 2 315.373 2.121 40 0 DEABLO C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@H+]1CC1CCC1 ZINC000253592592 402669555 /nfs/dbraw/zinc/66/95/55/402669555.db2.gz XERAIDPHWLGVSD-GFCCVEGCSA-N 1 2 302.422 2.200 40 0 DEABLO C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@@H+]1CC1CCC1 ZINC000253592592 402669557 /nfs/dbraw/zinc/66/95/57/402669557.db2.gz XERAIDPHWLGVSD-GFCCVEGCSA-N 1 2 302.422 2.200 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)cs1 ZINC000253598314 402669956 /nfs/dbraw/zinc/66/99/56/402669956.db2.gz HTFPSYHJYDFSKH-CQSZACIVSA-N 1 2 317.414 2.351 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)[nH+]1 ZINC000257206325 402703234 /nfs/dbraw/zinc/70/32/34/402703234.db2.gz BCWOYIWLADEOKY-ZDUSSCGKSA-N 1 2 324.388 2.007 40 0 DEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cnco2)cc1 ZINC000257245592 286379719 /nfs/dbraw/zinc/37/97/19/286379719.db2.gz IQFYBHCLCHIKHR-CQSZACIVSA-N 1 2 324.340 2.277 40 0 DEABLO OCCNc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328961590 404182154 /nfs/dbraw/zinc/18/21/54/404182154.db2.gz BEDCBTHHRKGUHS-UHFFFAOYSA-N 1 2 320.396 2.004 40 0 DEABLO O=C(Cc1cccs1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130944002 196125676 /nfs/dbraw/zinc/12/56/76/196125676.db2.gz UAGJAXWNSABCIQ-ZDUSSCGKSA-N 1 2 301.415 2.471 40 0 DEABLO CNc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329065100 529833381 /nfs/dbraw/zinc/83/33/81/529833381.db2.gz XPMKMWUWVSDOGY-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO NC(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366182 191135513 /nfs/dbraw/zinc/13/55/13/191135513.db2.gz DMCMYCGYLYVBRL-OAHLLOKOSA-N 1 2 309.373 2.327 40 0 DEABLO NC(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000072366182 191135515 /nfs/dbraw/zinc/13/55/15/191135515.db2.gz DMCMYCGYLYVBRL-OAHLLOKOSA-N 1 2 309.373 2.327 40 0 DEABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072379437 191140954 /nfs/dbraw/zinc/14/09/54/191140954.db2.gz RKBCBNSXFDEFPL-CQSZACIVSA-N 1 2 316.792 2.419 40 0 DEABLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072379437 191140956 /nfs/dbraw/zinc/14/09/56/191140956.db2.gz RKBCBNSXFDEFPL-CQSZACIVSA-N 1 2 316.792 2.419 40 0 DEABLO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383050 191142771 /nfs/dbraw/zinc/14/27/71/191142771.db2.gz LEZNDOJSBDAUDF-AWEZNQCLSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383050 191142772 /nfs/dbraw/zinc/14/27/72/191142772.db2.gz LEZNDOJSBDAUDF-AWEZNQCLSA-N 1 2 311.389 2.151 40 0 DEABLO Cc1cc2nc(C3CC[NH+](Cc4cn[nH]c4C)CC3)ccn2n1 ZINC000257304014 203027702 /nfs/dbraw/zinc/02/77/02/203027702.db2.gz SJSMLJOHUNNNNA-UHFFFAOYSA-N 1 2 310.405 2.449 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)[nH+]1 ZINC000257328837 203052736 /nfs/dbraw/zinc/05/27/36/203052736.db2.gz XHHUBEIVCUKZOT-CQSZACIVSA-N 1 2 316.405 2.282 40 0 DEABLO COc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CC[N@@H+]1C ZINC000257335467 203058952 /nfs/dbraw/zinc/05/89/52/203058952.db2.gz YKGHLTJHQWFFQK-KRWDZBQOSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CC[N@H+]1C ZINC000257335467 203058954 /nfs/dbraw/zinc/05/89/54/203058954.db2.gz YKGHLTJHQWFFQK-KRWDZBQOSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@@H]1C[N@H+](Cc2ccnc(C)n2)CCN1C ZINC000257335467 203058958 /nfs/dbraw/zinc/05/89/58/203058958.db2.gz YKGHLTJHQWFFQK-KRWDZBQOSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccnc(C)n2)CCN1C ZINC000257335467 203058962 /nfs/dbraw/zinc/05/89/62/203058962.db2.gz YKGHLTJHQWFFQK-KRWDZBQOSA-N 1 2 312.417 2.282 40 0 DEABLO CNc1cc([C@H]2CCCN2C(=O)CCn2nccc2C)cc[nH+]1 ZINC000257344785 203067514 /nfs/dbraw/zinc/06/75/14/203067514.db2.gz ZYQXVHUMTJQPKB-OAHLLOKOSA-N 1 2 313.405 2.382 40 0 DEABLO C[C@@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)n1cc[nH+]c1 ZINC000019458225 182123469 /nfs/dbraw/zinc/12/34/69/182123469.db2.gz OTDDTAAVXPDEFD-NSHDSACASA-N 1 2 306.329 2.303 40 0 DEABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@H+](C)C1 ZINC000012529792 401787214 /nfs/dbraw/zinc/78/72/14/401787214.db2.gz QTISYDBJHHLAIX-STQMWFEESA-N 1 2 320.780 2.271 40 0 biogenic,in-vitro DEABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@@H+](C)C1 ZINC000012529792 401787216 /nfs/dbraw/zinc/78/72/16/401787216.db2.gz QTISYDBJHHLAIX-STQMWFEESA-N 1 2 320.780 2.271 40 0 biogenic,in-vitro DEABLO Cc1ccc(Cl)cc1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000026505247 401840942 /nfs/dbraw/zinc/84/09/42/401840942.db2.gz CVXBPNFIRICOGM-MNOVXSKESA-N 1 2 316.835 2.302 40 0 DEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)co1 ZINC000096042268 402048776 /nfs/dbraw/zinc/04/87/76/402048776.db2.gz UDPFYLKDEPEQBY-YQQAZPJKSA-N 1 2 300.358 2.485 40 0 DEABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)co1 ZINC000096042268 402048778 /nfs/dbraw/zinc/04/87/78/402048778.db2.gz UDPFYLKDEPEQBY-YQQAZPJKSA-N 1 2 300.358 2.485 40 0 DEABLO c1coc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC000096058839 402054202 /nfs/dbraw/zinc/05/42/02/402054202.db2.gz NIDNECOHWOICFG-UHFFFAOYSA-N 1 2 302.378 2.204 40 0 DEABLO c1coc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC000096058839 402054204 /nfs/dbraw/zinc/05/42/04/402054204.db2.gz NIDNECOHWOICFG-UHFFFAOYSA-N 1 2 302.378 2.204 40 0 DEABLO COC[C@H]1CN(Cc2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060275 402054256 /nfs/dbraw/zinc/05/42/56/402054256.db2.gz IFVNRZIUJYGKED-OAHLLOKOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060463 402054976 /nfs/dbraw/zinc/05/49/76/402054976.db2.gz WSCIETRYNRLQHV-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060463 402054978 /nfs/dbraw/zinc/05/49/78/402054978.db2.gz WSCIETRYNRLQHV-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080511 402056847 /nfs/dbraw/zinc/05/68/47/402056847.db2.gz DUOMFXIYPSCYKN-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080511 402056849 /nfs/dbraw/zinc/05/68/49/402056849.db2.gz DUOMFXIYPSCYKN-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO CCc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@H]2COC)cc1 ZINC000096198468 402067268 /nfs/dbraw/zinc/06/72/68/402067268.db2.gz OSEGTDJXDLSRIA-MRXNPFEDSA-N 1 2 300.406 2.123 40 0 DEABLO CCc1ccc(C[N@H+]2CCc3c(nnn3C)[C@H]2COC)cc1 ZINC000096198468 402067270 /nfs/dbraw/zinc/06/72/70/402067270.db2.gz OSEGTDJXDLSRIA-MRXNPFEDSA-N 1 2 300.406 2.123 40 0 DEABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(O)CCC1 ZINC000184833369 402302437 /nfs/dbraw/zinc/30/24/37/402302437.db2.gz HYUSAWWNOYJTLM-UHFFFAOYSA-N 1 2 317.433 2.062 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)c2cccc(F)c2)c[nH+]1 ZINC000224348873 402314409 /nfs/dbraw/zinc/31/44/09/402314409.db2.gz QZNPIPKZVBNQPH-UHFFFAOYSA-N 1 2 303.341 2.000 40 0 DEABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247538596 402571901 /nfs/dbraw/zinc/57/19/01/402571901.db2.gz RJPUBEQHGLDFKL-ZDUSSCGKSA-N 1 2 318.348 2.484 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257210725 402703980 /nfs/dbraw/zinc/70/39/80/402703980.db2.gz BVWNFMKXEFGQFC-CQSZACIVSA-N 1 2 319.430 2.297 40 0 DEABLO CC(=O)N1CC[N@H+](Cc2ccnc(C)n2)C[C@@H]1c1ccccc1 ZINC000257230972 402706404 /nfs/dbraw/zinc/70/64/04/402706404.db2.gz GERUZERWPAIQKT-GOSISDBHSA-N 1 2 310.401 2.190 40 0 DEABLO CC(=O)N1CC[N@@H+](Cc2ccnc(C)n2)C[C@@H]1c1ccccc1 ZINC000257230972 402706405 /nfs/dbraw/zinc/70/64/05/402706405.db2.gz GERUZERWPAIQKT-GOSISDBHSA-N 1 2 310.401 2.190 40 0 DEABLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257228701 402706465 /nfs/dbraw/zinc/70/64/65/402706465.db2.gz FUWXMMGBKWOCEX-CQSZACIVSA-N 1 2 301.394 2.015 40 0 DEABLO CNc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(NC)n2)cn1 ZINC000257246364 402708109 /nfs/dbraw/zinc/70/81/09/402708109.db2.gz ITTYTRSDJIDCMV-CQSZACIVSA-N 1 2 313.409 2.077 40 0 DEABLO CNc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(NC)n2)cn1 ZINC000257246364 402708112 /nfs/dbraw/zinc/70/81/12/402708112.db2.gz ITTYTRSDJIDCMV-CQSZACIVSA-N 1 2 313.409 2.077 40 0 DEABLO COc1ccccc1[C@@H]1CN(Cc2cc(C)on2)CC[N@@H+]1C ZINC000257267505 402710659 /nfs/dbraw/zinc/71/06/59/402710659.db2.gz MHOVDVVYKOPTIC-INIZCTEOSA-N 1 2 301.390 2.480 40 0 DEABLO COc1ccccc1[C@@H]1CN(Cc2cc(C)on2)CC[N@H+]1C ZINC000257267505 402710661 /nfs/dbraw/zinc/71/06/61/402710661.db2.gz MHOVDVVYKOPTIC-INIZCTEOSA-N 1 2 301.390 2.480 40 0 DEABLO Cc1ccc(C[N@@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257269406 402711480 /nfs/dbraw/zinc/71/14/80/402711480.db2.gz MPVHMIOKICSHCQ-CQSZACIVSA-N 1 2 319.430 2.111 40 0 DEABLO Cc1ccc(C[N@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257269406 402711481 /nfs/dbraw/zinc/71/14/81/402711481.db2.gz MPVHMIOKICSHCQ-CQSZACIVSA-N 1 2 319.430 2.111 40 0 DEABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C ZINC000261362326 402713187 /nfs/dbraw/zinc/71/31/87/402713187.db2.gz CXVQLFHHVZEOHP-VIFPVBQESA-O 1 2 317.394 2.134 40 0 DEABLO CNc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329034874 404209340 /nfs/dbraw/zinc/20/93/40/404209340.db2.gz RBVQBQMSYNTJQH-UHFFFAOYSA-N 1 2 305.385 2.079 40 0 DEABLO COCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@@H]2C ZINC000585097132 405866275 /nfs/dbraw/zinc/86/62/75/405866275.db2.gz FZQNSUVXQVHUEA-CQSZACIVSA-N 1 2 315.417 2.141 40 0 DEABLO O=C(c1ccco1)N1CCC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073900 280216108 /nfs/dbraw/zinc/21/61/08/280216108.db2.gz VDGBSCIMJKXEMT-CJNGLKHVSA-N 1 2 301.346 2.113 40 0 DEABLO CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[NH+](C)CC1 ZINC000027975843 1078181101 /nfs/dbraw/zinc/18/11/01/1078181101.db2.gz GPSGEDHRRJKPEH-KRWDZBQOSA-N 1 2 302.418 2.107 40 0 DEABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c(C)c1C ZINC000035170686 354163139 /nfs/dbraw/zinc/16/31/39/354163139.db2.gz CJKHMRFVFLHGHN-UHFFFAOYSA-N 1 2 321.446 2.485 40 0 DEABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 ZINC000138910483 355874039 /nfs/dbraw/zinc/87/40/39/355874039.db2.gz DJPAXUPAHIQLHK-NXEZZACHSA-N 1 2 320.798 2.133 40 0 DEABLO CO[C@@]1(COc2ccccc2C)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274907 357342392 /nfs/dbraw/zinc/34/23/92/357342392.db2.gz REGJVAYYWXUNPJ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274907 357342396 /nfs/dbraw/zinc/34/23/96/357342396.db2.gz REGJVAYYWXUNPJ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2ccccc2C)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274901 357342619 /nfs/dbraw/zinc/34/26/19/357342619.db2.gz RCQQBFFWOARYJU-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274901 357342621 /nfs/dbraw/zinc/34/26/21/357342621.db2.gz RCQQBFFWOARYJU-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1ccc(C)c(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000193577663 201079102 /nfs/dbraw/zinc/07/91/02/201079102.db2.gz RGFOFONVDCFFOO-UHFFFAOYSA-N 1 2 312.417 2.308 40 0 DEABLO Cc1ccc(C)c(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000193577663 201079105 /nfs/dbraw/zinc/07/91/05/201079105.db2.gz RGFOFONVDCFFOO-UHFFFAOYSA-N 1 2 312.417 2.308 40 0 DEABLO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257329283 203053907 /nfs/dbraw/zinc/05/39/07/203053907.db2.gz XJELKAAIXWIOOE-MRXNPFEDSA-N 1 2 300.410 2.071 40 0 DEABLO CNc1cc(C)nc([C@@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257329283 203053910 /nfs/dbraw/zinc/05/39/10/203053910.db2.gz XJELKAAIXWIOOE-MRXNPFEDSA-N 1 2 300.410 2.071 40 0 DEABLO O=C(CCc1ccccc1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257322919 203047440 /nfs/dbraw/zinc/04/74/40/203047440.db2.gz WIABMBQSZKVGGD-JFIYKMOQSA-N 1 2 313.401 2.087 40 0 DEABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)cc[nH+]1 ZINC000257322065 203047991 /nfs/dbraw/zinc/04/79/91/203047991.db2.gz WELPNKZOEPDCIC-HNNXBMFYSA-N 1 2 313.405 2.300 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257338594 203060273 /nfs/dbraw/zinc/06/02/73/203060273.db2.gz YYCUXJCTEHBELE-INIZCTEOSA-N 1 2 312.417 2.462 40 0 DEABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2cccnc2)C1 ZINC000015674099 182011796 /nfs/dbraw/zinc/01/17/96/182011796.db2.gz RMZXOTYSCFOTRX-CVEARBPZSA-N 1 2 322.368 2.440 40 0 biogenic,in-vitro DEABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2cccnc2)C1 ZINC000015674099 182011798 /nfs/dbraw/zinc/01/17/98/182011798.db2.gz RMZXOTYSCFOTRX-CVEARBPZSA-N 1 2 322.368 2.440 40 0 biogenic,in-vitro DEABLO OCCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1cccnc1 ZINC000019372914 182120424 /nfs/dbraw/zinc/12/04/24/182120424.db2.gz ZTXNJBBWBWGRID-UHFFFAOYSA-N 1 2 322.412 2.321 40 0 DEABLO COc1cccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)c1 ZINC000095533507 257137617 /nfs/dbraw/zinc/13/76/17/257137617.db2.gz SDOGEXNGNDYGEC-MRXNPFEDSA-N 1 2 310.357 2.440 40 0 DEABLO COc1ccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1 ZINC000095533685 257137697 /nfs/dbraw/zinc/13/76/97/257137697.db2.gz BICGAEAJGXVVDK-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1 ZINC000095533685 257137699 /nfs/dbraw/zinc/13/76/99/257137699.db2.gz BICGAEAJGXVVDK-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1 ZINC000095533685 257137701 /nfs/dbraw/zinc/13/77/01/257137701.db2.gz BICGAEAJGXVVDK-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)cc1OC ZINC000013563496 401800745 /nfs/dbraw/zinc/80/07/45/401800745.db2.gz ZUJLRJNZHBBWTI-MDWZMJQESA-N 1 2 322.386 2.259 40 0 DEABLO COc1ccc([C@H](NC(=O)c2ccccn2)c2[nH+]ccn2C)cc1 ZINC000012114920 401779364 /nfs/dbraw/zinc/77/93/64/401779364.db2.gz IVZAOLLWUSIKFR-INIZCTEOSA-N 1 2 322.368 2.343 40 0 DEABLO CCn1c(SCC[NH+]2CCOCC2)nnc1-c1ccccc1 ZINC000035311360 401898431 /nfs/dbraw/zinc/89/84/31/401898431.db2.gz ILOAYWAVYLCGPN-UHFFFAOYSA-N 1 2 318.446 2.389 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000096044788 402049502 /nfs/dbraw/zinc/04/95/02/402049502.db2.gz XMCYQFFRURANDN-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000096044788 402049505 /nfs/dbraw/zinc/04/95/05/402049505.db2.gz XMCYQFFRURANDN-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096056692 402053151 /nfs/dbraw/zinc/05/31/51/402053151.db2.gz QVWAUGICKKJFEW-USXIJHARSA-N 1 2 320.408 2.330 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096056692 402053153 /nfs/dbraw/zinc/05/31/53/402053153.db2.gz QVWAUGICKKJFEW-USXIJHARSA-N 1 2 320.408 2.330 40 0 DEABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252833 402074955 /nfs/dbraw/zinc/07/49/55/402074955.db2.gz UYLWQVDIVINYDO-QLFBSQMISA-N 1 2 308.809 2.018 40 0 DEABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252833 402074956 /nfs/dbraw/zinc/07/49/56/402074956.db2.gz UYLWQVDIVINYDO-QLFBSQMISA-N 1 2 308.809 2.018 40 0 DEABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096253076 402075007 /nfs/dbraw/zinc/07/50/07/402075007.db2.gz IPQXPKYJQQBJPI-IXDOHACOSA-N 1 2 318.392 2.084 40 0 DEABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096253076 402075009 /nfs/dbraw/zinc/07/50/09/402075009.db2.gz IPQXPKYJQQBJPI-IXDOHACOSA-N 1 2 318.392 2.084 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1cccnc1)CC2 ZINC000096197777 402067504 /nfs/dbraw/zinc/06/75/04/402067504.db2.gz ASHZDLMAVIZJRV-QGZVFWFLSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1cccnc1)CC2 ZINC000096197777 402067505 /nfs/dbraw/zinc/06/75/05/402067505.db2.gz ASHZDLMAVIZJRV-QGZVFWFLSA-N 1 2 312.417 2.341 40 0 DEABLO Clc1ccccc1OCCc1cc([C@@H]2C[NH2+]CCO2)n[nH]1 ZINC000257248665 402707933 /nfs/dbraw/zinc/70/79/33/402707933.db2.gz JESBNHYTAMSFRF-HNNXBMFYSA-N 1 2 307.781 2.346 40 0 DEABLO Cc1noc(C)c1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257246939 402708283 /nfs/dbraw/zinc/70/82/83/402708283.db2.gz IWQJMGQVSIMNHJ-CQSZACIVSA-N 1 2 314.389 2.427 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)on1 ZINC000257256081 402709290 /nfs/dbraw/zinc/70/92/90/402709290.db2.gz KKAIQVGVGMCJDS-LBPRGKRZSA-N 1 2 318.377 2.054 40 0 DEABLO Cc1ccn(CCC(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257257772 402709491 /nfs/dbraw/zinc/70/94/91/402709491.db2.gz KQZSWQBZFQYMPO-HNNXBMFYSA-N 1 2 315.421 2.030 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000257267995 402710579 /nfs/dbraw/zinc/71/05/79/402710579.db2.gz MJUYTWXQTDAESJ-ZDUSSCGKSA-N 1 2 311.389 2.026 40 0 DEABLO CC(C)[C@H](CO)Nc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000329067628 404218789 /nfs/dbraw/zinc/21/87/89/404218789.db2.gz YJOAHRGGZRDHSJ-INIZCTEOSA-N 1 2 312.417 2.468 40 0 DEABLO CC(C)[C@H](CO)Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000329067628 404218794 /nfs/dbraw/zinc/21/87/94/404218794.db2.gz YJOAHRGGZRDHSJ-INIZCTEOSA-N 1 2 312.417 2.468 40 0 DEABLO O=C(c1ccoc1)N1CCC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073904 280222133 /nfs/dbraw/zinc/22/21/33/280222133.db2.gz BOHSFIKAHTYUKJ-ZBFHGGJFSA-N 1 2 301.346 2.113 40 0 DEABLO Cc1cc(CN2CCC[C@@H]2c2cc(N(C)C)nc(C)[nH+]2)no1 ZINC000257342986 301273214 /nfs/dbraw/zinc/27/32/14/301273214.db2.gz ZQWMIZRFTSQLDG-OAHLLOKOSA-N 1 2 301.394 2.485 40 0 DEABLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)no1 ZINC000257342986 301273216 /nfs/dbraw/zinc/27/32/16/301273216.db2.gz ZQWMIZRFTSQLDG-OAHLLOKOSA-N 1 2 301.394 2.485 40 0 DEABLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(N(C)C)nc(C)n2)no1 ZINC000257342986 301273219 /nfs/dbraw/zinc/27/32/19/301273219.db2.gz ZQWMIZRFTSQLDG-OAHLLOKOSA-N 1 2 301.394 2.485 40 0 DEABLO CNc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000329062868 517955155 /nfs/dbraw/zinc/95/51/55/517955155.db2.gz WZSCJKCWHVIPSD-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO COc1cc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)cc(OC)c1OC ZINC000095534709 185379167 /nfs/dbraw/zinc/37/91/67/185379167.db2.gz XTJOIVYRTHGUNU-GFCCVEGCSA-N 1 2 306.366 2.153 40 0 DEABLO Cc1csc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383066 191142318 /nfs/dbraw/zinc/14/23/18/191142318.db2.gz SGQPGBVWPBNVHW-LBPRGKRZSA-N 1 2 317.418 2.212 40 0 DEABLO Cc1csc(Nc2cccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383066 191142319 /nfs/dbraw/zinc/14/23/19/191142319.db2.gz SGQPGBVWPBNVHW-LBPRGKRZSA-N 1 2 317.418 2.212 40 0 DEABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)co1 ZINC000585102636 357333279 /nfs/dbraw/zinc/33/32/79/357333279.db2.gz DGNLXYAQFAUJAU-HNNXBMFYSA-N 1 2 300.358 2.345 40 0 DEABLO c1coc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)c1 ZINC000585105236 357334364 /nfs/dbraw/zinc/33/43/64/357334364.db2.gz RCLPCXUBDGASKE-CQSZACIVSA-N 1 2 300.358 2.487 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)Cc2ccnn21 ZINC000585111878 357335030 /nfs/dbraw/zinc/33/50/30/357335030.db2.gz ICGCUXORRQLIJK-HNNXBMFYSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)Cc2ccnn21 ZINC000585111878 357335034 /nfs/dbraw/zinc/33/50/34/357335034.db2.gz ICGCUXORRQLIJK-HNNXBMFYSA-N 1 2 318.808 2.230 40 0 DEABLO CC(C)C[N@@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585112273 357335482 /nfs/dbraw/zinc/33/54/82/357335482.db2.gz OAAFKWOSIYJRQR-VXGBXAGGSA-N 1 2 309.385 2.309 40 0 DEABLO CC(C)C[N@H+]1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 ZINC000585112273 357335487 /nfs/dbraw/zinc/33/54/87/357335487.db2.gz OAAFKWOSIYJRQR-VXGBXAGGSA-N 1 2 309.385 2.309 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585273921 357340662 /nfs/dbraw/zinc/34/06/62/357340662.db2.gz GQLXBDSWBUNANQ-KRWDZBQOSA-N 1 2 301.390 2.042 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585273921 357340668 /nfs/dbraw/zinc/34/06/68/357340668.db2.gz GQLXBDSWBUNANQ-KRWDZBQOSA-N 1 2 301.390 2.042 40 0 DEABLO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274722 357340834 /nfs/dbraw/zinc/34/08/34/357340834.db2.gz MQPRPNJICBGWAQ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274722 357340839 /nfs/dbraw/zinc/34/08/39/357340839.db2.gz MQPRPNJICBGWAQ-KRWDZBQOSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585273727 357340860 /nfs/dbraw/zinc/34/08/60/357340860.db2.gz DRAWRIZRPRFLPR-KRWDZBQOSA-N 1 2 319.380 2.263 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585273727 357340868 /nfs/dbraw/zinc/34/08/68/357340868.db2.gz DRAWRIZRPRFLPR-KRWDZBQOSA-N 1 2 319.380 2.263 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585273737 357340948 /nfs/dbraw/zinc/34/09/48/357340948.db2.gz DRAWRIZRPRFLPR-QGZVFWFLSA-N 1 2 319.380 2.263 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585273737 357340950 /nfs/dbraw/zinc/34/09/50/357340950.db2.gz DRAWRIZRPRFLPR-QGZVFWFLSA-N 1 2 319.380 2.263 40 0 DEABLO C[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290039 357344738 /nfs/dbraw/zinc/34/47/38/357344738.db2.gz QHOYHKNJQZZBPN-GVDBMIGSSA-N 1 2 324.852 2.248 40 0 DEABLO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000195529830 201398706 /nfs/dbraw/zinc/39/87/06/201398706.db2.gz GQRZYASNEOWHBY-XQQFMLRXSA-N 1 2 312.410 2.022 40 0 DEABLO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000195529830 201398708 /nfs/dbraw/zinc/39/87/08/201398708.db2.gz GQRZYASNEOWHBY-XQQFMLRXSA-N 1 2 312.410 2.022 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257280452 203008350 /nfs/dbraw/zinc/00/83/50/203008350.db2.gz OKXNZSVNJRJBPK-LLVKDONJSA-N 1 2 301.394 2.368 40 0 DEABLO CCCCc1[nH]c(CN2CCOC[C@@H]2c2nc(C)c[nH]2)c[nH+]1 ZINC000257320399 203044366 /nfs/dbraw/zinc/04/43/66/203044366.db2.gz VWQBLDGKIIMREI-CQSZACIVSA-N 1 2 303.410 2.357 40 0 DEABLO Cc1cc(N2CCC[C@@H]2c2cncc(-c3nccn3C)n2)nc[nH+]1 ZINC000257337558 203060864 /nfs/dbraw/zinc/06/08/64/203060864.db2.gz YTHFVUGFRVSGIX-OAHLLOKOSA-N 1 2 321.388 2.317 40 0 DEABLO CC(=O)Oc1ccc2occ(C(=O)CC[NH+]3CCOCC3)c2c1 ZINC000020437083 182216959 /nfs/dbraw/zinc/21/69/59/182216959.db2.gz HTCVCAVBIAHNJZ-UHFFFAOYSA-N 1 2 317.341 2.263 40 0 DEABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126730348 401706282 /nfs/dbraw/zinc/70/62/82/401706282.db2.gz WSTZTXNSEZFHQX-QGZVFWFLSA-N 1 2 301.390 2.316 40 0 DEABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126730348 401706284 /nfs/dbraw/zinc/70/62/84/401706284.db2.gz WSTZTXNSEZFHQX-QGZVFWFLSA-N 1 2 301.390 2.316 40 0 DEABLO c1csc(C[N@@H+]2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042424 402048753 /nfs/dbraw/zinc/04/87/53/402048753.db2.gz IPBVHGNECOTWLU-FMKPAKJESA-N 1 2 317.414 2.349 40 0 DEABLO c1csc(C[N@H+]2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042424 402048755 /nfs/dbraw/zinc/04/87/55/402048755.db2.gz IPBVHGNECOTWLU-FMKPAKJESA-N 1 2 317.414 2.349 40 0 DEABLO COc1cc(C[N@H+]2CCO[C@H]3[C@H](OC)CC[C@@H]32)cc(OC)c1 ZINC000096041412 402048935 /nfs/dbraw/zinc/04/89/35/402048935.db2.gz BRPOGRKTAHXJFC-GVDBMIGSSA-N 1 2 307.390 2.082 40 0 DEABLO COc1cc(C[N@@H+]2CCO[C@H]3[C@H](OC)CC[C@@H]32)cc(OC)c1 ZINC000096041412 402048938 /nfs/dbraw/zinc/04/89/38/402048938.db2.gz BRPOGRKTAHXJFC-GVDBMIGSSA-N 1 2 307.390 2.082 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccccn1)C2 ZINC000096060113 402054489 /nfs/dbraw/zinc/05/44/89/402054489.db2.gz HNKRWLHXBRIPHT-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccccn1)C2 ZINC000096060113 402054490 /nfs/dbraw/zinc/05/44/90/402054490.db2.gz HNKRWLHXBRIPHT-INIZCTEOSA-N 1 2 312.417 2.341 40 0 DEABLO c1snnc1C[N@@H+]1CC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096072443 402056408 /nfs/dbraw/zinc/05/64/08/402056408.db2.gz DLIRWSRVRFVMJO-JKSUJKDBSA-N 1 2 317.414 2.351 40 0 DEABLO c1snnc1C[N@H+]1CC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096072443 402056409 /nfs/dbraw/zinc/05/64/09/402056409.db2.gz DLIRWSRVRFVMJO-JKSUJKDBSA-N 1 2 317.414 2.351 40 0 DEABLO C[NH+](C)Cc1cnc([C@@H]2CN(Cc3ccsc3)CCO2)[nH]1 ZINC000257207407 402703358 /nfs/dbraw/zinc/70/33/58/402703358.db2.gz BHPQIONZSOWFDM-AWEZNQCLSA-N 1 2 306.435 2.106 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](c2cc[nH]n2)C1 ZINC000257205874 402703399 /nfs/dbraw/zinc/70/33/99/402703399.db2.gz BAXUHFHXYZNUIF-ZDUSSCGKSA-N 1 2 309.373 2.084 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257253544 402708715 /nfs/dbraw/zinc/70/87/15/402708715.db2.gz JZIGEZZHSDRXFH-CQSZACIVSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257253544 402708716 /nfs/dbraw/zinc/70/87/16/402708716.db2.gz JZIGEZZHSDRXFH-CQSZACIVSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257333472 402712097 /nfs/dbraw/zinc/71/20/97/402712097.db2.gz YBSHFIQPQSBHGA-LLVKDONJSA-N 1 2 300.362 2.215 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)cs1 ZINC000253598547 402669595 /nfs/dbraw/zinc/66/95/95/402669595.db2.gz OSSYECYGOFBHNU-AWEZNQCLSA-N 1 2 317.414 2.351 40 0 DEABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257207701 402703199 /nfs/dbraw/zinc/70/31/99/402703199.db2.gz BIVOJLDJCJAGFN-MRXNPFEDSA-N 1 2 315.421 2.222 40 0 DEABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257207701 402703203 /nfs/dbraw/zinc/70/32/03/402703203.db2.gz BIVOJLDJCJAGFN-MRXNPFEDSA-N 1 2 315.421 2.222 40 0 DEABLO CNc1nc(NCc2cccc(OC)c2)cc(-c2ccncc2)[nH+]1 ZINC000328965991 404184606 /nfs/dbraw/zinc/18/46/06/404184606.db2.gz CIDVNMZIUZJYJB-UHFFFAOYSA-N 1 2 321.384 2.045 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)[nH+]1 ZINC000257294156 301025215 /nfs/dbraw/zinc/02/52/15/301025215.db2.gz QSUJPBUGMWBXFP-MRXNPFEDSA-N 1 2 322.368 2.480 40 0 DEABLO Cc1cc(N2CCC(c3cc(N(C)C)nc(C)[nH+]3)CC2)ncn1 ZINC000072369007 191138746 /nfs/dbraw/zinc/13/87/46/191138746.db2.gz DRSKMVBTHXAHGY-UHFFFAOYSA-N 1 2 312.421 2.333 40 0 DEABLO S=C(NCc1ccco1)N1CC[NH+](Cc2ccco2)CC1 ZINC000004216697 181085438 /nfs/dbraw/zinc/08/54/38/181085438.db2.gz CSGDPWMBRJTAGS-UHFFFAOYSA-N 1 2 305.403 2.065 40 0 DEABLO c1cc2n(c1)C[C@@H](Oc1ncccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000585111510 357335385 /nfs/dbraw/zinc/33/53/85/357335385.db2.gz CJASJJPAOAIDRX-KRWDZBQOSA-N 1 2 321.384 2.137 40 0 DEABLO c1cc2n(c1)C[C@@H](Oc1ncccn1)C[N@H+](Cc1ccccn1)C2 ZINC000585111510 357335387 /nfs/dbraw/zinc/33/53/87/357335387.db2.gz CJASJJPAOAIDRX-KRWDZBQOSA-N 1 2 321.384 2.137 40 0 DEABLO OC[C@]1(Cc2ccccc2F)C[N@H+](Cc2cccnc2)CCO1 ZINC000585275295 357341997 /nfs/dbraw/zinc/34/19/97/357341997.db2.gz CKQQUMHPOWBEDF-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@]1(Cc2ccccc2F)C[N@@H+](Cc2cccnc2)CCO1 ZINC000585275295 357342002 /nfs/dbraw/zinc/34/20/02/357342002.db2.gz CKQQUMHPOWBEDF-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO COCC(=O)N1CCC[C@@](C)(c2[nH+]c(C)n3ccsc23)C1 ZINC000257308481 203032485 /nfs/dbraw/zinc/03/24/85/203032485.db2.gz TWWIFBUMUJRQKG-OAHLLOKOSA-N 1 2 307.419 2.231 40 0 DEABLO COc1ccc([C@@H]2C[N@H+](Cc3cnc(C)nc3)CCN2C)cc1 ZINC000257278452 203006404 /nfs/dbraw/zinc/00/64/04/203006404.db2.gz OCIOEBJQGCYQDC-SFHVURJKSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccc([C@@H]2C[N@@H+](Cc3cnc(C)nc3)CCN2C)cc1 ZINC000257278452 203006406 /nfs/dbraw/zinc/00/64/06/203006406.db2.gz OCIOEBJQGCYQDC-SFHVURJKSA-N 1 2 312.417 2.282 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2cncc(Cc3ccccc3F)c2)c1 ZINC000257293728 203019991 /nfs/dbraw/zinc/01/99/91/203019991.db2.gz QQXIWTPSPZBMMF-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO CNc1cc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ccn1 ZINC000257321438 203045647 /nfs/dbraw/zinc/04/56/47/203045647.db2.gz WBRYVAZXKHRFTC-HNNXBMFYSA-N 1 2 313.405 2.116 40 0 DEABLO Cc1cnn(C)c1C[N@H+]1CCCC[C@H]1c1ccnc(N(C)C)n1 ZINC000257339358 203059279 /nfs/dbraw/zinc/05/92/79/203059279.db2.gz ZBJJWTUAARTULZ-HNNXBMFYSA-N 1 2 314.437 2.312 40 0 DEABLO Cc1cnn(C)c1C[N@@H+]1CCCC[C@H]1c1ccnc(N(C)C)n1 ZINC000257339358 203059283 /nfs/dbraw/zinc/05/92/83/203059283.db2.gz ZBJJWTUAARTULZ-HNNXBMFYSA-N 1 2 314.437 2.312 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257341449 203063173 /nfs/dbraw/zinc/06/31/73/203063173.db2.gz ZKJDBBVWQLIJHQ-CYBMUJFWSA-N 1 2 313.357 2.467 40 0 DEABLO CCOc1cc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)ccc1OC ZINC000095534452 257137493 /nfs/dbraw/zinc/13/74/93/257137493.db2.gz WVMNLMRAVUTSAL-OCCSQVGLSA-N 1 2 318.377 2.112 40 0 DEABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cn1 ZINC000096057906 402053615 /nfs/dbraw/zinc/05/36/15/402053615.db2.gz QEHLWSWTUXKIEH-RCCFBDPRSA-N 1 2 319.449 2.359 40 0 DEABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cn1 ZINC000096057906 402053616 /nfs/dbraw/zinc/05/36/16/402053616.db2.gz QEHLWSWTUXKIEH-RCCFBDPRSA-N 1 2 319.449 2.359 40 0 DEABLO COC[C@@H]1CN(Cc2nccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060270 402053979 /nfs/dbraw/zinc/05/39/79/402053979.db2.gz MFGLETYWPJDFAE-ZDUSSCGKSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@H]1CN(Cc2nccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060271 402054144 /nfs/dbraw/zinc/05/41/44/402054144.db2.gz MFGLETYWPJDFAE-CYBMUJFWSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060461 402055058 /nfs/dbraw/zinc/05/50/58/402055058.db2.gz QOPQUSCOQBFQSM-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060461 402055060 /nfs/dbraw/zinc/05/50/60/402055060.db2.gz QOPQUSCOQBFQSM-MRXNPFEDSA-N 1 2 312.417 2.434 40 0 DEABLO COc1ccccc1C[N@@H+]1CCc2nc(SC)[nH]c(=O)c2C1 ZINC000096531494 402099091 /nfs/dbraw/zinc/09/90/91/402099091.db2.gz DODLQMBMIWZWLA-UHFFFAOYSA-N 1 2 317.414 2.471 40 0 DEABLO COc1ccccc1C[N@H+]1CCc2nc(SC)[nH]c(=O)c2C1 ZINC000096531494 402099094 /nfs/dbraw/zinc/09/90/94/402099094.db2.gz DODLQMBMIWZWLA-UHFFFAOYSA-N 1 2 317.414 2.471 40 0 DEABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000066871898 402144812 /nfs/dbraw/zinc/14/48/12/402144812.db2.gz TUAQCPCTCILSNR-UHFFFAOYSA-N 1 2 319.411 2.412 40 0 DEABLO O=C(CSCc1ccc(F)cc1)NCCCn1cc[nH+]c1 ZINC000216309085 402288485 /nfs/dbraw/zinc/28/84/85/402288485.db2.gz KLHZAXRFAUODEL-UHFFFAOYSA-N 1 2 307.394 2.462 40 0 DEABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccccc1 ZINC000224350743 402314067 /nfs/dbraw/zinc/31/40/67/402314067.db2.gz DFDQVVLFNSNYSU-UHFFFAOYSA-N 1 2 311.389 2.395 40 0 DEABLO Cc1cc(C)cc(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1 ZINC000224350080 402314223 /nfs/dbraw/zinc/31/42/23/402314223.db2.gz NPCPFDKNTLLNRC-UHFFFAOYSA-N 1 2 313.405 2.478 40 0 DEABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CC2)CS3)n(C)n1 ZINC000248032208 402580796 /nfs/dbraw/zinc/58/07/96/402580796.db2.gz LMGIUISCNKVWFW-OAHLLOKOSA-N 1 2 307.463 2.215 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000247845082 402576915 /nfs/dbraw/zinc/57/69/15/402576915.db2.gz GPKUCBVVBZYUCC-SWLSCSKDSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000247845082 402576917 /nfs/dbraw/zinc/57/69/17/402576917.db2.gz GPKUCBVVBZYUCC-SWLSCSKDSA-N 1 2 317.389 2.239 40 0 DEABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc[nH+]1 ZINC000257212849 402703643 /nfs/dbraw/zinc/70/36/43/402703643.db2.gz CFFCHLRWDPINLJ-ZDUSSCGKSA-N 1 2 300.362 2.440 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257217579 402704265 /nfs/dbraw/zinc/70/42/65/402704265.db2.gz CZOIRWWJDVULMO-CYBMUJFWSA-N 1 2 309.373 2.235 40 0 DEABLO Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)s1 ZINC000257230917 402706239 /nfs/dbraw/zinc/70/62/39/402706239.db2.gz GEMRKEVBVTWANC-STQMWFEESA-N 1 2 305.403 2.091 40 0 DEABLO Cc1nc(N2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)cc[nH+]1 ZINC000257238281 402706893 /nfs/dbraw/zinc/70/68/93/402706893.db2.gz HKHDVAFFVQLONT-CQSZACIVSA-N 1 2 307.361 2.307 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257253543 402709015 /nfs/dbraw/zinc/70/90/15/402709015.db2.gz JZIGEZZHSDRXFH-AWEZNQCLSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257253543 402709018 /nfs/dbraw/zinc/70/90/18/402709018.db2.gz JZIGEZZHSDRXFH-AWEZNQCLSA-N 1 2 318.446 2.486 40 0 DEABLO CC[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364159 402713205 /nfs/dbraw/zinc/71/32/05/402713205.db2.gz JOUDNIAKRJNPMN-LBPRGKRZSA-O 1 2 317.394 2.134 40 0 DEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1F ZINC000328995125 404193905 /nfs/dbraw/zinc/19/39/05/404193905.db2.gz JGEMVJULWWLTLH-LLVKDONJSA-N 1 2 316.380 2.182 40 0 DEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cc[nH]n2)c1 ZINC000257232641 278022678 /nfs/dbraw/zinc/02/26/78/278022678.db2.gz GLUGHMFNADPXHE-OAHLLOKOSA-N 1 2 323.356 2.012 40 0 DEABLO CCN1C(=O)N/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000409244747 528953595 /nfs/dbraw/zinc/95/35/95/528953595.db2.gz IDLNKERFNQXWMM-FOWTUZBSSA-N 1 2 324.384 2.456 40 0 DEABLO COc1cc2c(c3c1OCO3)C[N@H+](Cc1ccccc1)C[C@H]2O ZINC000095470486 185372683 /nfs/dbraw/zinc/37/26/83/185372683.db2.gz UEAHQZJNTGHLSV-OAHLLOKOSA-N 1 2 313.353 2.473 40 0 DEABLO COc1cc2c(c3c1OCO3)C[N@@H+](Cc1ccccc1)C[C@H]2O ZINC000095470486 185372684 /nfs/dbraw/zinc/37/26/84/185372684.db2.gz UEAHQZJNTGHLSV-OAHLLOKOSA-N 1 2 313.353 2.473 40 0 DEABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000225666856 186287560 /nfs/dbraw/zinc/28/75/60/186287560.db2.gz HURYNZUUEPINJX-SFHVURJKSA-N 1 2 316.445 2.497 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2ccc(N(C)C)cn2)C1 ZINC000072388106 191146451 /nfs/dbraw/zinc/14/64/51/191146451.db2.gz KZGYEEDWPJRHPQ-OAHLLOKOSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2ccc(N(C)C)cn2)C1 ZINC000072388106 191146452 /nfs/dbraw/zinc/14/64/52/191146452.db2.gz KZGYEEDWPJRHPQ-OAHLLOKOSA-N 1 2 318.446 2.486 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2Cl)Cc2ccnn21 ZINC000585112561 357335110 /nfs/dbraw/zinc/33/51/10/357335110.db2.gz RJNAQLRCUTYOOW-CQSZACIVSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2Cl)Cc2ccnn21 ZINC000585112561 357335112 /nfs/dbraw/zinc/33/51/12/357335112.db2.gz RJNAQLRCUTYOOW-CQSZACIVSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)Cc2ccnn21 ZINC000585112969 357335371 /nfs/dbraw/zinc/33/53/71/357335371.db2.gz XFIAHOFDWDWWAJ-OAHLLOKOSA-N 1 2 318.808 2.230 40 0 DEABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)Cc2ccnn21 ZINC000585112969 357335375 /nfs/dbraw/zinc/33/53/75/357335375.db2.gz XFIAHOFDWDWWAJ-OAHLLOKOSA-N 1 2 318.808 2.230 40 0 DEABLO Cc1nc(N2CCOC[C@@H](Cc3nccn4cccc34)C2)cc[nH+]1 ZINC000585261166 357340007 /nfs/dbraw/zinc/34/00/07/357340007.db2.gz WYUPWRJITJCNQC-HNNXBMFYSA-N 1 2 323.400 2.128 40 0 DEABLO Cc1nc(N2CCOC[C@H](Cc3nccn4cccc34)C2)cc[nH+]1 ZINC000585261167 357340133 /nfs/dbraw/zinc/34/01/33/357340133.db2.gz WYUPWRJITJCNQC-OAHLLOKOSA-N 1 2 323.400 2.128 40 0 DEABLO OC[C@@]1(Cc2cccc(F)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000585276613 357342484 /nfs/dbraw/zinc/34/24/84/357342484.db2.gz QNZKRKFKRXSBDU-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@@]1(Cc2cccc(F)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000585276613 357342487 /nfs/dbraw/zinc/34/24/87/357342487.db2.gz QNZKRKFKRXSBDU-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO Cc1cccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3ccn[nH]3)[C@H]2O)c1 ZINC000585286165 357345094 /nfs/dbraw/zinc/34/50/94/357345094.db2.gz JVEZESQDWCEQAO-ZTFGCOKTSA-N 1 2 315.417 2.416 40 0 DEABLO CO[C@@H]1C[N@H+](Cc2c[nH]cn2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291709 357345854 /nfs/dbraw/zinc/34/58/54/357345854.db2.gz RXSQTHZPCUSMPF-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1C[N@@H+](Cc2c[nH]cn2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291709 357345858 /nfs/dbraw/zinc/34/58/58/357345858.db2.gz RXSQTHZPCUSMPF-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1C[N@H+](Cc2cnc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291709 357345860 /nfs/dbraw/zinc/34/58/60/357345860.db2.gz RXSQTHZPCUSMPF-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1C[N@@H+](Cc2cnc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291709 357345862 /nfs/dbraw/zinc/34/58/62/357345862.db2.gz RXSQTHZPCUSMPF-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257295552 203021565 /nfs/dbraw/zinc/02/15/65/203021565.db2.gz QYVFHLDNBZASOV-IRXDYDNUSA-N 1 2 313.401 2.040 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)[nH+]1 ZINC000257298382 203022411 /nfs/dbraw/zinc/02/24/11/203022411.db2.gz RLKMFOQRTMTMKO-OAHLLOKOSA-N 1 2 319.430 2.428 40 0 DEABLO CCn1nc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1C ZINC000257303803 203027467 /nfs/dbraw/zinc/02/74/67/203027467.db2.gz SITTUCXPAQFAAM-KRWDZBQOSA-N 1 2 312.417 2.340 40 0 DEABLO CCn1nc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1C ZINC000257303803 203027470 /nfs/dbraw/zinc/02/74/70/203027470.db2.gz SITTUCXPAQFAAM-KRWDZBQOSA-N 1 2 312.417 2.340 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000257334604 203056268 /nfs/dbraw/zinc/05/62/68/203056268.db2.gz YGQCCWGNYMHFNX-ZDUSSCGKSA-N 1 2 313.357 2.467 40 0 DEABLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257315161 203038483 /nfs/dbraw/zinc/03/84/83/203038483.db2.gz VAEPNMJZQXXVQW-CQSZACIVSA-N 1 2 313.361 2.459 40 0 DEABLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257315161 203038487 /nfs/dbraw/zinc/03/84/87/203038487.db2.gz VAEPNMJZQXXVQW-CQSZACIVSA-N 1 2 313.361 2.459 40 0 DEABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C=O ZINC000072224688 257123327 /nfs/dbraw/zinc/12/33/27/257123327.db2.gz ATMRHBHECDDLMJ-UHFFFAOYSA-N 1 2 305.378 2.260 40 0 DEABLO COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306134957 533371372 /nfs/dbraw/zinc/37/13/72/533371372.db2.gz OCLNBDCTDWFZOB-IHVVCDCBSA-N 1 2 303.387 2.188 40 0 DEABLO CC(C)OC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000012142776 401779893 /nfs/dbraw/zinc/77/98/93/401779893.db2.gz NOGZYYWNZKIBCV-UHFFFAOYSA-N 1 2 301.346 2.031 40 0 DEABLO CCn1cc2c(n1)C[N@@H+](Cc1c(C)noc1C)C[C@H]2COC ZINC000096045177 402049571 /nfs/dbraw/zinc/04/95/71/402049571.db2.gz CDUMGSYXGIUIFT-ZDUSSCGKSA-N 1 2 304.394 2.254 40 0 DEABLO CCn1cc2c(n1)C[N@H+](Cc1c(C)noc1C)C[C@H]2COC ZINC000096045177 402049574 /nfs/dbraw/zinc/04/95/74/402049574.db2.gz CDUMGSYXGIUIFT-ZDUSSCGKSA-N 1 2 304.394 2.254 40 0 DEABLO O=C(c1cccnc1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060980 402054769 /nfs/dbraw/zinc/05/47/69/402054769.db2.gz DVYZFRWCPFTZGJ-UHFFFAOYSA-N 1 2 308.385 2.349 40 0 DEABLO Cc1ccc(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)o1 ZINC000096254340 402074961 /nfs/dbraw/zinc/07/49/61/402074961.db2.gz UMDHPTNBJGLQTO-UHFFFAOYSA-N 1 2 315.373 2.370 40 0 DEABLO Cc1ccc(C[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)o1 ZINC000096254340 402074962 /nfs/dbraw/zinc/07/49/62/402074962.db2.gz UMDHPTNBJGLQTO-UHFFFAOYSA-N 1 2 315.373 2.370 40 0 DEABLO O=C1CCCN1Cc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096259360 402075551 /nfs/dbraw/zinc/07/55/51/402075551.db2.gz HRMKNGRRJLZEQM-UHFFFAOYSA-N 1 2 314.389 2.004 40 0 DEABLO O=C1CCCN1Cc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096259360 402075552 /nfs/dbraw/zinc/07/55/52/402075552.db2.gz HRMKNGRRJLZEQM-UHFFFAOYSA-N 1 2 314.389 2.004 40 0 DEABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096187823 402065680 /nfs/dbraw/zinc/06/56/80/402065680.db2.gz MFXIRLPUBIFSBQ-ZDUSSCGKSA-N 1 2 306.410 2.004 40 0 DEABLO Cn1ccnc1C[N@@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096189397 402066897 /nfs/dbraw/zinc/06/68/97/402066897.db2.gz MXKYHPFSQWBFPI-UHFFFAOYSA-N 1 2 312.417 2.300 40 0 DEABLO Cn1ccnc1C[N@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096189397 402066899 /nfs/dbraw/zinc/06/68/99/402066899.db2.gz MXKYHPFSQWBFPI-UHFFFAOYSA-N 1 2 312.417 2.300 40 0 DEABLO O=C(c1ccccn1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198926 402067440 /nfs/dbraw/zinc/06/74/40/402067440.db2.gz TUYQMFNUWUWAQA-UHFFFAOYSA-N 1 2 308.385 2.349 40 0 DEABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2[nH]cnc2c1 ZINC000153712252 402164836 /nfs/dbraw/zinc/16/48/36/402164836.db2.gz HFICFCVWESKJMF-CQSZACIVSA-N 1 2 321.384 2.357 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)co1 ZINC000247984457 402579222 /nfs/dbraw/zinc/57/92/22/402579222.db2.gz YQRWNQWHZYHVKS-KRWDZBQOSA-N 1 2 321.417 2.456 40 0 DEABLO C[N@@H+]1CCO[C@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 ZINC000257225586 402705564 /nfs/dbraw/zinc/70/55/64/402705564.db2.gz FGXBEIMFDLZSSO-INIZCTEOSA-N 1 2 317.414 2.025 40 0 DEABLO C[N@H+]1CCO[C@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 ZINC000257225586 402705565 /nfs/dbraw/zinc/70/55/65/402705565.db2.gz FGXBEIMFDLZSSO-INIZCTEOSA-N 1 2 317.414 2.025 40 0 DEABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCCC1 ZINC000253590672 402669065 /nfs/dbraw/zinc/66/90/65/402669065.db2.gz DFSXMMCLLUZOIE-AWEZNQCLSA-N 1 2 314.433 2.462 40 0 DEABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCCC1 ZINC000253590672 402669068 /nfs/dbraw/zinc/66/90/68/402669068.db2.gz DFSXMMCLLUZOIE-AWEZNQCLSA-N 1 2 314.433 2.462 40 0 DEABLO CCn1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c(C)n1 ZINC000256052028 402699834 /nfs/dbraw/zinc/69/98/34/402699834.db2.gz LPEIPSFBFWYTNF-UHFFFAOYSA-N 1 2 301.316 2.260 40 0 DEABLO Cc1cc(N2CCC[C@@H]2c2nccnc2-c2nccn2C)nc[nH+]1 ZINC000257209599 402703175 /nfs/dbraw/zinc/70/31/75/402703175.db2.gz BQZSWUDVOBXZSH-CYBMUJFWSA-N 1 2 321.388 2.317 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)[nH+]1 ZINC000257207056 402703308 /nfs/dbraw/zinc/70/33/08/402703308.db2.gz BGEIKUUXKRKNLR-MRXNPFEDSA-N 1 2 324.428 2.487 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329008058 404198664 /nfs/dbraw/zinc/19/86/64/404198664.db2.gz LNTGQZWQHLEXBQ-SECBINFHSA-N 1 2 320.343 2.012 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000329010263 404198738 /nfs/dbraw/zinc/19/87/38/404198738.db2.gz MAIFSFUUPVRXDR-SECBINFHSA-N 1 2 320.343 2.012 40 0 DEABLO Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000407996963 405085870 /nfs/dbraw/zinc/08/58/70/405085870.db2.gz HTDIDPZCTXHURZ-LBPRGKRZSA-N 1 2 323.393 2.046 40 0 DEABLO O=C(Cc1cccs1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130944234 196125416 /nfs/dbraw/zinc/12/54/16/196125416.db2.gz UAGJAXWNSABCIQ-CYBMUJFWSA-N 1 2 301.415 2.471 40 0 DEABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257200058 424888717 /nfs/dbraw/zinc/88/87/17/424888717.db2.gz ABWBCKWXHRVPQO-MRXNPFEDSA-N 1 2 315.373 2.063 40 0 DEABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257200058 424888719 /nfs/dbraw/zinc/88/87/19/424888719.db2.gz ABWBCKWXHRVPQO-MRXNPFEDSA-N 1 2 315.373 2.063 40 0 DEABLO C[C@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@@H+]1C1CCCC1 ZINC000253591618 280136786 /nfs/dbraw/zinc/13/67/86/280136786.db2.gz PADKWHNBUIMKHR-LBPRGKRZSA-N 1 2 302.422 2.342 40 0 DEABLO C[C@H]1c2nc(C(=O)NCC3CC3)cn2CC[N@H+]1C1CCCC1 ZINC000253591618 280136788 /nfs/dbraw/zinc/13/67/88/280136788.db2.gz PADKWHNBUIMKHR-LBPRGKRZSA-N 1 2 302.422 2.342 40 0 DEABLO Cc1cc(N2CCC[C@@H]2c2cnc(-c3nccn3C)cn2)nc[nH+]1 ZINC000257261569 280553184 /nfs/dbraw/zinc/55/31/84/280553184.db2.gz LHXLYHQLVRAXJS-OAHLLOKOSA-N 1 2 321.388 2.317 40 0 DEABLO O=C1CCCN1CC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112141 357335161 /nfs/dbraw/zinc/33/51/61/357335161.db2.gz IWJPBWHACHIIGR-SFHVURJKSA-N 1 2 324.428 2.453 40 0 DEABLO O=C1CCCN1CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112141 357335164 /nfs/dbraw/zinc/33/51/64/357335164.db2.gz IWJPBWHACHIIGR-SFHVURJKSA-N 1 2 324.428 2.453 40 0 DEABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585111778 357335258 /nfs/dbraw/zinc/33/52/58/357335258.db2.gz BQJHKPHVXFHWOV-QGZVFWFLSA-N 1 2 324.428 2.356 40 0 DEABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CC1 ZINC000585111778 357335265 /nfs/dbraw/zinc/33/52/65/357335265.db2.gz BQJHKPHVXFHWOV-QGZVFWFLSA-N 1 2 324.428 2.356 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@](CO)(Cc3ccccc3)C2)cn1 ZINC000585268957 357339673 /nfs/dbraw/zinc/33/96/73/357339673.db2.gz FOSZQAXKZWDKKI-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@](CO)(Cc3ccccc3)C2)cn1 ZINC000585268957 357339677 /nfs/dbraw/zinc/33/96/77/357339677.db2.gz FOSZQAXKZWDKKI-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO CO[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275159 357342751 /nfs/dbraw/zinc/34/27/51/357342751.db2.gz YMQGRPSYWHCYHV-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275159 357342753 /nfs/dbraw/zinc/34/27/53/357342753.db2.gz YMQGRPSYWHCYHV-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257258884 202989966 /nfs/dbraw/zinc/98/99/66/202989966.db2.gz KVXBEOXPVVKNKF-HNNXBMFYSA-N 1 2 315.421 2.328 40 0 DEABLO Nc1cc(N2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)[nH+]cn1 ZINC000257298553 203024405 /nfs/dbraw/zinc/02/44/05/203024405.db2.gz RMFLPQIIOFJPGT-CQSZACIVSA-N 1 2 323.400 2.236 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257304994 203029727 /nfs/dbraw/zinc/02/97/27/203029727.db2.gz SNZBZXXRGRKFKQ-AWEZNQCLSA-N 1 2 315.421 2.397 40 0 DEABLO CN(C)c1cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)cc[nH+]1 ZINC000257324592 203048975 /nfs/dbraw/zinc/04/89/75/203048975.db2.gz WPJALBFNFALGHI-MRXNPFEDSA-N 1 2 324.428 2.491 40 0 DEABLO CCCC[C@@]([NH3+])(C(=O)OC)c1cncc(Br)c1 ZINC000022114027 182308980 /nfs/dbraw/zinc/30/89/80/182308980.db2.gz IMJCEDWUDGKTLD-LBPRGKRZSA-N 1 2 301.184 2.361 40 0 DEABLO CCNC(=S)N1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000001370916 401705954 /nfs/dbraw/zinc/70/59/54/401705954.db2.gz NPDFDXNPWZIKKB-UHFFFAOYSA-N 1 2 317.462 2.073 40 0 DEABLO Cc1cccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]23)c1 ZINC000072343237 401709033 /nfs/dbraw/zinc/70/90/33/401709033.db2.gz GFCHDOVTJUTZFO-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1cccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]23)c1 ZINC000072343237 401709036 /nfs/dbraw/zinc/70/90/36/401709036.db2.gz GFCHDOVTJUTZFO-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO COc1ccc([C@@H](NC(=O)C2CC2)c2[nH+]ccn2C)cc1OC ZINC000012114937 401779518 /nfs/dbraw/zinc/77/95/18/401779518.db2.gz ZOCMZTXRFYNTGS-OAHLLOKOSA-N 1 2 315.373 2.053 40 0 DEABLO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000078394018 401849863 /nfs/dbraw/zinc/84/98/63/401849863.db2.gz GQRZYASNEOWHBY-AVGNSLFASA-N 1 2 312.410 2.022 40 0 DEABLO C[C@H]1C[C@H]([N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000078394018 401849864 /nfs/dbraw/zinc/84/98/64/401849864.db2.gz GQRZYASNEOWHBY-AVGNSLFASA-N 1 2 312.410 2.022 40 0 DEABLO COCCn1nnnc1[C@H](c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000033936900 401892445 /nfs/dbraw/zinc/89/24/45/401892445.db2.gz OATLDGDCDDIIFS-JSGCOSHPSA-N 1 2 321.450 2.202 40 0 DEABLO COCCn1nnnc1[C@H](c1cccs1)[N@H+]1CCC[C@H](C)C1 ZINC000033936900 401892449 /nfs/dbraw/zinc/89/24/49/401892449.db2.gz OATLDGDCDDIIFS-JSGCOSHPSA-N 1 2 321.450 2.202 40 0 DEABLO C[NH+](C)Cc1nc2c(o1)CN(C(=O)NCc1cccc(F)c1)C2 ZINC000096260254 402075591 /nfs/dbraw/zinc/07/55/91/402075591.db2.gz WAJJNOLMKNXHDM-UHFFFAOYSA-N 1 2 318.352 2.101 40 0 DEABLO O=C(COc1cccc2c1CCCC2)NCCCn1cc[nH+]c1 ZINC000223372770 402310834 /nfs/dbraw/zinc/31/08/34/402310834.db2.gz WWOCRWXQXSYBCA-UHFFFAOYSA-N 1 2 313.401 2.347 40 0 DEABLO Cc1ccsc1C(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257212007 402703747 /nfs/dbraw/zinc/70/37/47/402703747.db2.gz CBNGECZZHMTVOP-JHJVBQTASA-N 1 2 305.403 2.090 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc3ncccc32)[nH+]1 ZINC000257209937 402703951 /nfs/dbraw/zinc/70/39/51/402703951.db2.gz BSMLZGBSJRTBNH-MRXNPFEDSA-N 1 2 322.368 2.480 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccccc3F)C2)[nH+]1 ZINC000257248731 402708327 /nfs/dbraw/zinc/70/83/27/402708327.db2.gz JEYIFHZEXQCFCY-LLVKDONJSA-N 1 2 309.366 2.035 40 0 DEABLO CC(C)C(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257269780 402711588 /nfs/dbraw/zinc/71/15/88/402711588.db2.gz MRISECACSSGPLM-QGZVFWFLSA-N 1 2 317.433 2.233 40 0 DEABLO c1cnc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257313895 402712178 /nfs/dbraw/zinc/71/21/78/402712178.db2.gz UUPDYMQIKCKNRF-INIZCTEOSA-N 1 2 310.405 2.204 40 0 DEABLO c1cnc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)cn1 ZINC000257313895 402712181 /nfs/dbraw/zinc/71/21/81/402712181.db2.gz UUPDYMQIKCKNRF-INIZCTEOSA-N 1 2 310.405 2.204 40 0 DEABLO OCCCNc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000328986463 404190027 /nfs/dbraw/zinc/19/00/27/404190027.db2.gz HYWZJJAPXPIQSJ-UHFFFAOYSA-N 1 2 320.343 2.014 40 0 DEABLO COC[C@@H]1CCn2c[nH+]cc2CN1C(=O)Cc1ccc(C)cc1 ZINC000585098164 405868576 /nfs/dbraw/zinc/86/85/76/405868576.db2.gz VKADWWGRTSJVMH-INIZCTEOSA-N 1 2 313.401 2.182 40 0 DEABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccco1 ZINC000027233059 286734495 /nfs/dbraw/zinc/73/44/95/286734495.db2.gz NJLFJDAZWZFOHM-ZDUSSCGKSA-O 1 2 313.362 2.424 40 0 DEABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cnco2)c1 ZINC000257339338 295329152 /nfs/dbraw/zinc/32/91/52/295329152.db2.gz ZBHDTAGSFCDVMV-CQSZACIVSA-N 1 2 324.340 2.277 40 0 DEABLO COC(=O)[C@H](C[C@@H]1C=NC=N1)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000214469175 356271853 /nfs/dbraw/zinc/27/18/53/356271853.db2.gz KKMJGUDIUVOQTI-PLENUKSMSA-N 1 2 317.433 2.205 40 0 DEABLO c1coc(C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)c1 ZINC000585102988 357334097 /nfs/dbraw/zinc/33/40/97/357334097.db2.gz NUIZBMYFTBRHAM-AWEZNQCLSA-N 1 2 300.358 2.345 40 0 DEABLO O=C(N1CCc2[nH+]cc(-c3cccnc3)n2CC1)C1(F)CCC1 ZINC000585111273 357335347 /nfs/dbraw/zinc/33/53/47/357335347.db2.gz MEUJLTLLKTZKGL-UHFFFAOYSA-N 1 2 314.364 2.222 40 0 DEABLO CO[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585273075 357341173 /nfs/dbraw/zinc/34/11/73/357341173.db2.gz ABXILBBFACJYPN-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585273075 357341175 /nfs/dbraw/zinc/34/11/75/357341175.db2.gz ABXILBBFACJYPN-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO Cc1ccccc1OC[C@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585274893 357341969 /nfs/dbraw/zinc/34/19/69/357341969.db2.gz QXUKPUQEOKBRQX-SFHVURJKSA-N 1 2 315.417 2.134 40 0 DEABLO Cc1ccccc1OC[C@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585274893 357341972 /nfs/dbraw/zinc/34/19/72/357341972.db2.gz QXUKPUQEOKBRQX-SFHVURJKSA-N 1 2 315.417 2.134 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257210950 202946753 /nfs/dbraw/zinc/94/67/53/202946753.db2.gz BWVNXCUZNJOIST-LBPRGKRZSA-N 1 2 304.419 2.350 40 0 DEABLO Cc1cc(CC[C@H]2C[N@H+](Cc3ccncc3C)CCO2)ncn1 ZINC000257272384 203001984 /nfs/dbraw/zinc/00/19/84/203001984.db2.gz NCFARPQGKWLPOW-SFHVURJKSA-N 1 2 312.417 2.322 40 0 DEABLO Cc1cc(CC[C@H]2C[N@@H+](Cc3ccncc3C)CCO2)ncn1 ZINC000257272384 203001987 /nfs/dbraw/zinc/00/19/87/203001987.db2.gz NCFARPQGKWLPOW-SFHVURJKSA-N 1 2 312.417 2.322 40 0 DEABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(N)n1 ZINC000257299706 203022776 /nfs/dbraw/zinc/02/27/76/203022776.db2.gz RRDJGQIYDARMKE-CQSZACIVSA-N 1 2 300.410 2.393 40 0 DEABLO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257282225 203009414 /nfs/dbraw/zinc/00/94/14/203009414.db2.gz OSYNWOHJTIWSRR-AWEZNQCLSA-N 1 2 321.402 2.253 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3c(C)noc3C)C2)[nH+]1 ZINC000257328836 203052579 /nfs/dbraw/zinc/05/25/79/203052579.db2.gz XHHUBEIVCUKZOT-AWEZNQCLSA-N 1 2 316.405 2.282 40 0 DEABLO Cc1c[nH]nc1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257319526 203042708 /nfs/dbraw/zinc/04/27/08/203042708.db2.gz VSXSROZWAXNSHS-CQSZACIVSA-N 1 2 301.394 2.101 40 0 DEABLO Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257319526 203042711 /nfs/dbraw/zinc/04/27/11/203042711.db2.gz VSXSROZWAXNSHS-CQSZACIVSA-N 1 2 301.394 2.101 40 0 DEABLO Cc1c[nH]nc1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257319525 203044008 /nfs/dbraw/zinc/04/40/08/203044008.db2.gz VSXSROZWAXNSHS-AWEZNQCLSA-N 1 2 301.394 2.101 40 0 DEABLO Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257319525 203044010 /nfs/dbraw/zinc/04/40/10/203044010.db2.gz VSXSROZWAXNSHS-AWEZNQCLSA-N 1 2 301.394 2.101 40 0 DEABLO C[C@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)n1cc[nH+]c1 ZINC000019458227 182124032 /nfs/dbraw/zinc/12/40/32/182124032.db2.gz OTDDTAAVXPDEFD-LLVKDONJSA-N 1 2 306.329 2.303 40 0 DEABLO CCCC[N@@H+]1CC(=O)N2CCC[C@@H](c3ccccc3)N2C(=O)C1 ZINC000001579220 401708646 /nfs/dbraw/zinc/70/86/46/401708646.db2.gz CZSCRBPDWANYEH-INIZCTEOSA-N 1 2 315.417 2.209 40 0 DEABLO CCCC[N@H+]1CC(=O)N2CCC[C@@H](c3ccccc3)N2C(=O)C1 ZINC000001579220 401708650 /nfs/dbraw/zinc/70/86/50/401708650.db2.gz CZSCRBPDWANYEH-INIZCTEOSA-N 1 2 315.417 2.209 40 0 DEABLO O=C(NCCCn1cc[nH+]c1)c1ncoc1-c1cccs1 ZINC000012144645 401780004 /nfs/dbraw/zinc/78/00/04/401780004.db2.gz FQHINLCHPYSEGC-UHFFFAOYSA-N 1 2 302.359 2.420 40 0 DEABLO CCc1nnsc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000019521874 401822359 /nfs/dbraw/zinc/82/23/59/401822359.db2.gz NALVHZRZVVMSAM-AWEZNQCLSA-N 1 2 316.430 2.229 40 0 DEABLO CCc1nnsc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000019521874 401822361 /nfs/dbraw/zinc/82/23/61/401822361.db2.gz NALVHZRZVVMSAM-AWEZNQCLSA-N 1 2 316.430 2.229 40 0 DEABLO C[NH+]1CCN(C(=O)c2cc(Br)c(Cl)o2)CC1 ZINC000095094145 402025896 /nfs/dbraw/zinc/02/58/96/402025896.db2.gz HHCQZDCSKGHRDP-UHFFFAOYSA-N 1 2 307.575 2.083 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080505 402056810 /nfs/dbraw/zinc/05/68/10/402056810.db2.gz ADRNTWROVABNKC-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080505 402056813 /nfs/dbraw/zinc/05/68/13/402056813.db2.gz ADRNTWROVABNKC-DZGCQCFKSA-N 1 2 308.809 2.019 40 0 DEABLO O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073901 402057207 /nfs/dbraw/zinc/05/72/07/402057207.db2.gz VDGBSCIMJKXEMT-CZUORRHYSA-N 1 2 301.346 2.113 40 0 DEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000096147157 402061937 /nfs/dbraw/zinc/06/19/37/402061937.db2.gz WTJWCLONJHNUEZ-XJKSGUPXSA-N 1 2 304.438 2.129 40 0 DEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000096147157 402061939 /nfs/dbraw/zinc/06/19/39/402061939.db2.gz WTJWCLONJHNUEZ-XJKSGUPXSA-N 1 2 304.438 2.129 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)CCc2ccccc2)c[nH+]1 ZINC000224349461 402314416 /nfs/dbraw/zinc/31/44/16/402314416.db2.gz VUFFGVAMWWCTSZ-UHFFFAOYSA-N 1 2 313.405 2.180 40 0 DEABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC2CC2)CS3)n(C)n1 ZINC000248032205 402580865 /nfs/dbraw/zinc/58/08/65/402580865.db2.gz LMGIUISCNKVWFW-HNNXBMFYSA-N 1 2 307.463 2.215 40 0 DEABLO CNc1cccc([C@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257207125 402703369 /nfs/dbraw/zinc/70/33/69/402703369.db2.gz BGLMCRIZLCYEFA-MRXNPFEDSA-N 1 2 315.421 2.047 40 0 DEABLO CNc1cccc([C@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257207125 402703370 /nfs/dbraw/zinc/70/33/70/402703370.db2.gz BGLMCRIZLCYEFA-MRXNPFEDSA-N 1 2 315.421 2.047 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257225108 402705517 /nfs/dbraw/zinc/70/55/17/402705517.db2.gz FEVLAGZOQYXXSY-CQSZACIVSA-N 1 2 319.430 2.215 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@H](c3nc(C)cn3C)C2)c[nH+]1 ZINC000257228040 402705817 /nfs/dbraw/zinc/70/58/17/402705817.db2.gz FSAWZQCSGLXBNJ-HNNXBMFYSA-N 1 2 317.437 2.368 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3nc(C)cn3C)C2)[nH+]1 ZINC000257228040 402705818 /nfs/dbraw/zinc/70/58/18/402705818.db2.gz FSAWZQCSGLXBNJ-HNNXBMFYSA-N 1 2 317.437 2.368 40 0 DEABLO Cc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000278162857 402860873 /nfs/dbraw/zinc/86/08/73/402860873.db2.gz UJRYJLDSPUBIIB-HUUCEWRRSA-N 1 2 314.389 2.290 40 0 DEABLO Cc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000278162857 402860874 /nfs/dbraw/zinc/86/08/74/402860874.db2.gz UJRYJLDSPUBIIB-HUUCEWRRSA-N 1 2 314.389 2.290 40 0 DEABLO CNc1nc(NCc2ccccc2C)cc(-c2cccnc2)[nH+]1 ZINC000329058988 404215781 /nfs/dbraw/zinc/21/57/81/404215781.db2.gz WERXKNNBBBJSGM-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO OCCCNc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328966633 404183762 /nfs/dbraw/zinc/18/37/62/404183762.db2.gz CNAYXAKZFMIXAS-UHFFFAOYSA-N 1 2 318.808 2.389 40 0 DEABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccco2)Cc2ccccc2)C1 ZINC000575422298 406809640 /nfs/dbraw/zinc/80/96/40/406809640.db2.gz UOTZVLUMPRSDNT-OAHLLOKOSA-N 1 2 305.399 2.469 40 0 DEABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccco2)Cc2ccccc2)C1 ZINC000575422298 406809643 /nfs/dbraw/zinc/80/96/43/406809643.db2.gz UOTZVLUMPRSDNT-OAHLLOKOSA-N 1 2 305.399 2.469 40 0 DEABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccco2)Cc2ccccc2)C1 ZINC000575422290 406810056 /nfs/dbraw/zinc/81/00/56/406810056.db2.gz UOTZVLUMPRSDNT-HNNXBMFYSA-N 1 2 305.399 2.469 40 0 DEABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccco2)Cc2ccccc2)C1 ZINC000575422290 406810059 /nfs/dbraw/zinc/81/00/59/406810059.db2.gz UOTZVLUMPRSDNT-HNNXBMFYSA-N 1 2 305.399 2.469 40 0 DEABLO CCNc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328958420 527995604 /nfs/dbraw/zinc/99/56/04/527995604.db2.gz ANPFQZAKQSLPPW-UHFFFAOYSA-N 1 2 305.385 2.426 40 0 DEABLO CCOC[C@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000253382811 186302449 /nfs/dbraw/zinc/30/24/49/186302449.db2.gz JIPIQWJCKKBURR-CQSZACIVSA-N 1 2 305.374 2.043 40 0 DEABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)ccn1 ZINC000585102672 357333729 /nfs/dbraw/zinc/33/37/29/357333729.db2.gz FRMDKXADZMADOL-QGZVFWFLSA-N 1 2 302.418 2.489 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585274845 357342768 /nfs/dbraw/zinc/34/27/68/357342768.db2.gz PJIGRCWTAHKSQE-KRWDZBQOSA-N 1 2 301.390 2.042 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585274845 357342769 /nfs/dbraw/zinc/34/27/69/357342769.db2.gz PJIGRCWTAHKSQE-KRWDZBQOSA-N 1 2 301.390 2.042 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2cccc(Cc3cccc(F)c3)n2)c1 ZINC000257310672 203033975 /nfs/dbraw/zinc/03/39/75/203033975.db2.gz UGBODKJZYGHFBA-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257289006 203015913 /nfs/dbraw/zinc/01/59/13/203015913.db2.gz PWPFDBFCMLSUAS-SFHVURJKSA-N 1 2 310.401 2.056 40 0 DEABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257289006 203015917 /nfs/dbraw/zinc/01/59/17/203015917.db2.gz PWPFDBFCMLSUAS-SFHVURJKSA-N 1 2 310.401 2.056 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000022115364 182308962 /nfs/dbraw/zinc/30/89/62/182308962.db2.gz ZDMWJJZWFHWUBA-KRWDZBQOSA-N 1 2 316.426 2.330 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N)cc1 ZINC000072212428 257127096 /nfs/dbraw/zinc/12/70/96/257127096.db2.gz JIVMDAXVZZKBLA-HNNXBMFYSA-N 1 2 317.414 2.498 40 0 DEABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)c1 ZINC000095533425 257137185 /nfs/dbraw/zinc/13/71/85/257137185.db2.gz GNEMZLFPDOVIHF-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533425 257137187 /nfs/dbraw/zinc/13/71/87/257137187.db2.gz GNEMZLFPDOVIHF-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3ccccc3)n[nH]2)c1 ZINC000095533425 257137188 /nfs/dbraw/zinc/13/71/88/257137188.db2.gz GNEMZLFPDOVIHF-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO c1coc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)c1 ZINC000328999320 257231215 /nfs/dbraw/zinc/23/12/15/257231215.db2.gz JWLUXFPJEDKMAF-UHFFFAOYSA-N 1 2 307.357 2.162 40 0 DEABLO Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000026781078 292167692 /nfs/dbraw/zinc/16/76/92/292167692.db2.gz DIGUDIALSBNZQH-HNNXBMFYSA-N 1 2 307.434 2.364 40 0 DEABLO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]23)cc1 ZINC000072343261 401708905 /nfs/dbraw/zinc/70/89/05/401708905.db2.gz KCKNPCIQBQAPDZ-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]23)cc1 ZINC000072343261 401708907 /nfs/dbraw/zinc/70/89/07/401708907.db2.gz KCKNPCIQBQAPDZ-IRXDYDNUSA-N 1 2 308.385 2.328 40 0 DEABLO NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030946365 401867072 /nfs/dbraw/zinc/86/70/72/401867072.db2.gz NJAKTWRGRZVZDY-UHFFFAOYSA-N 1 2 320.352 2.283 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1Cl ZINC000036056765 401901927 /nfs/dbraw/zinc/90/19/27/401901927.db2.gz XLEYWOQRNVSYRO-UHFFFAOYSA-N 1 2 316.854 2.363 40 0 DEABLO O=C(c1ccco1)N1CCC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073899 402056992 /nfs/dbraw/zinc/05/69/92/402056992.db2.gz VDGBSCIMJKXEMT-XJKSGUPXSA-N 1 2 301.346 2.113 40 0 DEABLO c1cncc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226337 402072524 /nfs/dbraw/zinc/07/25/24/402072524.db2.gz VVTBKCYRUQQBDH-IBGZPJMESA-N 1 2 324.428 2.348 40 0 DEABLO c1cncc(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226337 402072527 /nfs/dbraw/zinc/07/25/27/402072527.db2.gz VVTBKCYRUQQBDH-IBGZPJMESA-N 1 2 324.428 2.348 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000096244909 402073903 /nfs/dbraw/zinc/07/39/03/402073903.db2.gz GPKUCBVVBZYUCC-WFASDCNBSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000096244909 402073906 /nfs/dbraw/zinc/07/39/06/402073906.db2.gz GPKUCBVVBZYUCC-WFASDCNBSA-N 1 2 317.389 2.239 40 0 DEABLO c1coc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000107747231 402239697 /nfs/dbraw/zinc/23/96/97/402239697.db2.gz OVDXPQXHVQTEKD-IMJJTQAJSA-N 1 2 315.373 2.128 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000107747231 402239698 /nfs/dbraw/zinc/23/96/98/402239698.db2.gz OVDXPQXHVQTEKD-IMJJTQAJSA-N 1 2 315.373 2.128 40 0 DEABLO CCCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000257214842 402703694 /nfs/dbraw/zinc/70/36/94/402703694.db2.gz CNQKFCXNWDMBEW-UHFFFAOYSA-N 1 2 314.389 2.299 40 0 DEABLO O=C(CC1CCCCC1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257219258 402704600 /nfs/dbraw/zinc/70/46/00/402704600.db2.gz DGEKQGZRMUKISK-HOTGVXAUSA-N 1 2 305.422 2.378 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257227412 402705478 /nfs/dbraw/zinc/70/54/78/402705478.db2.gz FPDBUQMNRDWLGO-NSHDSACASA-N 1 2 309.366 2.035 40 0 DEABLO CCc1noc(C)c1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257244585 402707635 /nfs/dbraw/zinc/70/76/35/402707635.db2.gz ILYKFZLZNWYTFF-ZDUSSCGKSA-N 1 2 314.389 2.339 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCOC[C@@H]1c1cc(=O)[nH]c(C)n1 ZINC000257247886 402708232 /nfs/dbraw/zinc/70/82/32/402708232.db2.gz JAZWHUBSQIXAFT-CYBMUJFWSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccsc1C[N@H+]1CCOC[C@@H]1c1cc(=O)[nH]c(C)n1 ZINC000257247886 402708235 /nfs/dbraw/zinc/70/82/35/402708235.db2.gz JAZWHUBSQIXAFT-CYBMUJFWSA-N 1 2 305.403 2.434 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cccn3C)CC[N@@H+]2C)cc1 ZINC000257245467 402708349 /nfs/dbraw/zinc/70/83/49/402708349.db2.gz IPQJBMYTXNQYDH-KRWDZBQOSA-N 1 2 313.401 2.163 40 0 DEABLO COc1ccc([C@@H]2CN(C(=O)c3cccn3C)CC[N@H+]2C)cc1 ZINC000257245467 402708350 /nfs/dbraw/zinc/70/83/50/402708350.db2.gz IPQJBMYTXNQYDH-KRWDZBQOSA-N 1 2 313.401 2.163 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCOc2ccccc2)[nH+]1 ZINC000257259680 402709954 /nfs/dbraw/zinc/70/99/54/402709954.db2.gz KZMLYMLIQXBULR-OAHLLOKOSA-N 1 2 315.373 2.087 40 0 DEABLO CC(=O)N1CCC(c2cc(-c3c[nH+]c(C)n3C)nc(C)n2)CC1 ZINC000257271808 402711088 /nfs/dbraw/zinc/71/10/88/402711088.db2.gz MZWKOMBHHTYBQT-UHFFFAOYSA-N 1 2 313.405 2.220 40 0 DEABLO Cc1cnn(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)c1 ZINC000257202326 402702251 /nfs/dbraw/zinc/70/22/51/402702251.db2.gz ALHPTABLQPFTRN-HNNXBMFYSA-N 1 2 313.405 2.016 40 0 DEABLO CNc1nc(NCc2cccc(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000328973131 404186761 /nfs/dbraw/zinc/18/67/61/404186761.db2.gz DZAOKQDYTHKCCS-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329008059 404198254 /nfs/dbraw/zinc/19/82/54/404198254.db2.gz LNTGQZWQHLEXBQ-VIFPVBQESA-N 1 2 320.343 2.012 40 0 DEABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1Cc1cccnc1OC ZINC000585098039 405868356 /nfs/dbraw/zinc/86/83/56/405868356.db2.gz SQPNJPBGYHOPDJ-HNNXBMFYSA-N 1 2 316.405 2.098 40 0 DEABLO COc1cccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000130949458 196124611 /nfs/dbraw/zinc/12/46/11/196124611.db2.gz KPERJVMWKJFTHY-OAHLLOKOSA-N 1 2 311.385 2.489 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328970696 424902824 /nfs/dbraw/zinc/90/28/24/424902824.db2.gz DLEJITMBIXSKHA-JTQLQIEISA-N 1 2 302.353 3.029 40 0 DEABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329071095 424903491 /nfs/dbraw/zinc/90/34/91/424903491.db2.gz ZNBNUZJKLPBJDG-UHFFFAOYSA-N 1 2 302.353 2.949 40 0 DEABLO C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111831 290289048 /nfs/dbraw/zinc/28/90/48/290289048.db2.gz GETKYLWWBZPFKV-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111831 290289050 /nfs/dbraw/zinc/28/90/50/290289050.db2.gz GETKYLWWBZPFKV-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000225666827 186287479 /nfs/dbraw/zinc/28/74/79/186287479.db2.gz HURYNZUUEPINJX-GOSISDBHSA-N 1 2 316.445 2.497 40 0 DEABLO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000072366181 191134822 /nfs/dbraw/zinc/13/48/22/191134822.db2.gz GICAGSDHHINSKE-ZDUSSCGKSA-N 1 2 304.781 2.499 40 0 DEABLO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000072366181 191134824 /nfs/dbraw/zinc/13/48/24/191134824.db2.gz GICAGSDHHINSKE-ZDUSSCGKSA-N 1 2 304.781 2.499 40 0 DEABLO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000071006052 354894432 /nfs/dbraw/zinc/89/44/32/354894432.db2.gz UATVSOONJMUMED-SJORKVTESA-N 1 2 323.458 2.163 40 0 DEABLO Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000071006052 354894435 /nfs/dbraw/zinc/89/44/35/354894435.db2.gz UATVSOONJMUMED-SJORKVTESA-N 1 2 323.458 2.163 40 0 DEABLO O=C1CCCN1CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112140 357335305 /nfs/dbraw/zinc/33/53/05/357335305.db2.gz IWJPBWHACHIIGR-GOSISDBHSA-N 1 2 324.428 2.453 40 0 DEABLO O=C1CCCN1CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112140 357335309 /nfs/dbraw/zinc/33/53/09/357335309.db2.gz IWJPBWHACHIIGR-GOSISDBHSA-N 1 2 324.428 2.453 40 0 DEABLO CNC(=O)C[C@H]1C[N@H+](Cc2cc(C)ccc2C)Cc2ccnn21 ZINC000585113108 357335754 /nfs/dbraw/zinc/33/57/54/357335754.db2.gz ZWKPHKDCAPIGCA-KRWDZBQOSA-N 1 2 312.417 2.193 40 0 DEABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cc(C)ccc2C)Cc2ccnn21 ZINC000585113108 357335759 /nfs/dbraw/zinc/33/57/59/357335759.db2.gz ZWKPHKDCAPIGCA-KRWDZBQOSA-N 1 2 312.417 2.193 40 0 DEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187926 193568387 /nfs/dbraw/zinc/56/83/87/193568387.db2.gz CHBDOCCVUSGRGW-OAHLLOKOSA-N 1 2 303.406 2.068 40 0 DEABLO COc1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000027531068 182475705 /nfs/dbraw/zinc/47/57/05/182475705.db2.gz WDUZZBDAWRLFCZ-CQSZACIVSA-N 1 2 323.433 2.065 40 0 DEABLO CC(C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116318 401779506 /nfs/dbraw/zinc/77/95/06/401779506.db2.gz VLPJMEHIITWSGC-UHFFFAOYSA-N 1 2 300.406 2.314 40 0 DEABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000012116443 401779845 /nfs/dbraw/zinc/77/98/45/401779845.db2.gz GSPVWZDVRDAJFD-AWEZNQCLSA-N 1 2 312.417 2.316 40 0 DEABLO Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130409263 401830708 /nfs/dbraw/zinc/83/07/08/401830708.db2.gz NFBADFZUBMRCAB-CQSZACIVSA-N 1 2 314.389 2.014 40 0 DEABLO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000033301062 401890036 /nfs/dbraw/zinc/89/00/36/401890036.db2.gz QPUJLRDPEGPWFZ-FMKPAKJESA-N 1 2 321.417 2.128 40 0 DEABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(CCOC)n2)cc1 ZINC000049467752 402018008 /nfs/dbraw/zinc/01/80/08/402018008.db2.gz ZDRJOMLHTUBBBL-UHFFFAOYSA-N 1 2 316.361 2.168 40 0 DEABLO CCOC(=O)c1ccc(Nc2cc(N)nc(CCOC)[nH+]2)cc1 ZINC000049467752 402018011 /nfs/dbraw/zinc/01/80/11/402018011.db2.gz ZDRJOMLHTUBBBL-UHFFFAOYSA-N 1 2 316.361 2.168 40 0 DEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041971 402048771 /nfs/dbraw/zinc/04/87/71/402048771.db2.gz NSMQGIAJFPWSTI-JLJPHGGASA-N 1 2 305.374 2.184 40 0 DEABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041971 402048772 /nfs/dbraw/zinc/04/87/72/402048772.db2.gz NSMQGIAJFPWSTI-JLJPHGGASA-N 1 2 305.374 2.184 40 0 DEABLO CCn1ncc2c1C[N@H+](Cc1scnc1C)C[C@H]2COC ZINC000096044588 402049890 /nfs/dbraw/zinc/04/98/90/402049890.db2.gz LEEOAZYRCLAASC-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1ncc2c1C[N@@H+](Cc1scnc1C)C[C@H]2COC ZINC000096044588 402049892 /nfs/dbraw/zinc/04/98/92/402049892.db2.gz LEEOAZYRCLAASC-LBPRGKRZSA-N 1 2 306.435 2.414 40 0 DEABLO CC(C)OCc1nn(C)c2c1CC[N@H+](Cc1ccccn1)C2 ZINC000096058974 402054071 /nfs/dbraw/zinc/05/40/71/402054071.db2.gz VTJJXEBXDHKOKZ-UHFFFAOYSA-N 1 2 300.406 2.298 40 0 DEABLO CC(C)OCc1nn(C)c2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000096058974 402054073 /nfs/dbraw/zinc/05/40/73/402054073.db2.gz VTJJXEBXDHKOKZ-UHFFFAOYSA-N 1 2 300.406 2.298 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080506 402057066 /nfs/dbraw/zinc/05/70/66/402057066.db2.gz ADRNTWROVABNKC-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080506 402057069 /nfs/dbraw/zinc/05/70/69/402057069.db2.gz ADRNTWROVABNKC-UKRRQHHQSA-N 1 2 308.809 2.019 40 0 DEABLO CC(C)CC[N@@H+]1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1 ZINC000096187412 402065856 /nfs/dbraw/zinc/06/58/56/402065856.db2.gz YDSCSSZCFWCLLG-CYBMUJFWSA-N 1 2 304.438 2.438 40 0 DEABLO CC(C)CC[N@H+]1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1 ZINC000096187412 402065858 /nfs/dbraw/zinc/06/58/58/402065858.db2.gz YDSCSSZCFWCLLG-CYBMUJFWSA-N 1 2 304.438 2.438 40 0 DEABLO CC(C)OC(=O)c1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000070462671 402261971 /nfs/dbraw/zinc/26/19/71/402261971.db2.gz NZMVWIHKRPCTSA-UHFFFAOYSA-N 1 2 311.813 2.239 40 0 DEABLO c1csc(C[NH+]2CC3(C2)C[C@H](Oc2ncccn2)CCO3)c1 ZINC000247838064 402576812 /nfs/dbraw/zinc/57/68/12/402576812.db2.gz OCJRPKWXABHXFN-CYBMUJFWSA-N 1 2 317.414 2.351 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257215095 402703681 /nfs/dbraw/zinc/70/36/81/402703681.db2.gz CORHCPQCYASBJK-CYBMUJFWSA-N 1 2 309.373 2.304 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257220208 402705188 /nfs/dbraw/zinc/70/51/88/402705188.db2.gz DKADXPCREJMYSP-GFCCVEGCSA-N 1 2 304.419 2.052 40 0 DEABLO Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257229671 402706371 /nfs/dbraw/zinc/70/63/71/402706371.db2.gz FZBLCZRBZOLJSU-AWEZNQCLSA-N 1 2 315.421 2.444 40 0 DEABLO Cc1nc(N2CCC[C@H]2c2ncc(C(=O)N(C)C)s2)cc[nH+]1 ZINC000257249380 402708081 /nfs/dbraw/zinc/70/80/81/402708081.db2.gz JIAAHZKBZMJKPM-NSHDSACASA-N 1 2 317.418 2.285 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)on1 ZINC000257256080 402709497 /nfs/dbraw/zinc/70/94/97/402709497.db2.gz KKAIQVGVGMCJDS-GFCCVEGCSA-N 1 2 318.377 2.054 40 0 DEABLO O=C(C1CCOCC1)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257265257 402710382 /nfs/dbraw/zinc/71/03/82/402710382.db2.gz LXXBJDJGJWIGLO-OAHLLOKOSA-N 1 2 313.401 2.467 40 0 DEABLO Cc1ccc(C[N@@H+]2CCC[C@]2(C(N)=O)c2cnccn2)c(C)c1 ZINC000257204538 402702686 /nfs/dbraw/zinc/70/26/86/402702686.db2.gz AVBOWJIQQHYEES-GOSISDBHSA-N 1 2 310.401 2.070 40 0 DEABLO Cc1ccc(C[N@H+]2CCC[C@]2(C(N)=O)c2cnccn2)c(C)c1 ZINC000257204538 402702689 /nfs/dbraw/zinc/70/26/89/402702689.db2.gz AVBOWJIQQHYEES-GOSISDBHSA-N 1 2 310.401 2.070 40 0 DEABLO Cc1c[nH]nc1C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257207805 402702904 /nfs/dbraw/zinc/70/29/04/402702904.db2.gz BJIUTLNVQDYGIX-OAHLLOKOSA-N 1 2 315.421 2.176 40 0 DEABLO Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257207805 402702908 /nfs/dbraw/zinc/70/29/08/402702908.db2.gz BJIUTLNVQDYGIX-OAHLLOKOSA-N 1 2 315.421 2.176 40 0 DEABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000328970330 404185856 /nfs/dbraw/zinc/18/58/56/404185856.db2.gz DIWVMVRQUDMRDO-CYBMUJFWSA-N 1 2 312.417 2.351 40 0 DEABLO CCNc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329004779 404196525 /nfs/dbraw/zinc/19/65/25/404196525.db2.gz KTMMZMBHBIFHDL-UHFFFAOYSA-N 1 2 311.414 2.488 40 0 DEABLO Cc1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000071006056 354893922 /nfs/dbraw/zinc/89/39/22/354893922.db2.gz UATVSOONJMUMED-IAGOWNOFSA-N 1 2 323.458 2.163 40 0 DEABLO Cc1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000071006056 354893925 /nfs/dbraw/zinc/89/39/25/354893925.db2.gz UATVSOONJMUMED-IAGOWNOFSA-N 1 2 323.458 2.163 40 0 DEABLO O=C(NCCc1c[nH+]c[nH]1)c1c(F)c(F)c(F)c(F)c1F ZINC000005613459 181264063 /nfs/dbraw/zinc/26/40/63/181264063.db2.gz SLQBKEJPAFXHNZ-UHFFFAOYSA-N 1 2 305.206 2.078 40 0 DEABLO O=C(NCCc1c[nH]c[nH+]1)c1c(F)c(F)c(F)c(F)c1F ZINC000005613459 181264064 /nfs/dbraw/zinc/26/40/64/181264064.db2.gz SLQBKEJPAFXHNZ-UHFFFAOYSA-N 1 2 305.206 2.078 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)nc1 ZINC000585103141 357333755 /nfs/dbraw/zinc/33/37/55/357333755.db2.gz RSJIQVFEXYDYRE-INIZCTEOSA-N 1 2 302.418 2.489 40 0 DEABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)ccn1 ZINC000585102671 357334403 /nfs/dbraw/zinc/33/44/03/357334403.db2.gz FRMDKXADZMADOL-KRWDZBQOSA-N 1 2 302.418 2.489 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257315570 203041216 /nfs/dbraw/zinc/04/12/16/203041216.db2.gz VBYWJXBRSFUFTC-ZDUSSCGKSA-N 1 2 317.364 2.263 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257335387 203058127 /nfs/dbraw/zinc/05/81/27/203058127.db2.gz YJXZGWWUFRAQCM-AWEZNQCLSA-N 1 2 315.421 2.017 40 0 DEABLO CCOc1ccc([C@@H](C[NH+]2CCOCC2)C(C)=O)cc1OC ZINC000031842243 182625788 /nfs/dbraw/zinc/62/57/88/182625788.db2.gz BVBJMTIQNKBMFX-HNNXBMFYSA-N 1 2 307.390 2.099 40 0 DEABLO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072219375 257124396 /nfs/dbraw/zinc/12/43/96/257124396.db2.gz JXYHCAYYVAIWQO-MRXNPFEDSA-N 1 2 303.406 2.300 40 0 DEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1ccoc1)C2 ZINC000096044909 402049605 /nfs/dbraw/zinc/04/96/05/402049605.db2.gz LMENKWNRQBLHPD-CQSZACIVSA-N 1 2 315.373 2.179 40 0 DEABLO COC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)Cc2[nH+]cn(C)c21 ZINC000096044766 402049639 /nfs/dbraw/zinc/04/96/39/402049639.db2.gz CYIZXCVTRGHHIG-HNNXBMFYSA-N 1 2 313.401 2.423 40 0 DEABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 ZINC000096245925 402074293 /nfs/dbraw/zinc/07/42/93/402074293.db2.gz VNKAFTOJVMKQEW-GJZGRUSLSA-N 1 2 314.414 2.226 40 0 DEABLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 ZINC000096245925 402074294 /nfs/dbraw/zinc/07/42/94/402074294.db2.gz VNKAFTOJVMKQEW-GJZGRUSLSA-N 1 2 314.414 2.226 40 0 DEABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096254192 402074984 /nfs/dbraw/zinc/07/49/84/402074984.db2.gz WSNMKQCMZYUFPM-CYBMUJFWSA-N 1 2 317.437 2.018 40 0 DEABLO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@H+]([C@@H]1CCOC1)CC2 ZINC000096254192 402074986 /nfs/dbraw/zinc/07/49/86/402074986.db2.gz WSNMKQCMZYUFPM-CYBMUJFWSA-N 1 2 317.437 2.018 40 0 DEABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186414 402066099 /nfs/dbraw/zinc/06/60/99/402066099.db2.gz XZKXFSDXTIWBDT-HOTGVXAUSA-N 1 2 310.401 2.190 40 0 DEABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186414 402066100 /nfs/dbraw/zinc/06/61/00/402066100.db2.gz XZKXFSDXTIWBDT-HOTGVXAUSA-N 1 2 310.401 2.190 40 0 DEABLO CC(C)c1ccccc1O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000216449513 402288753 /nfs/dbraw/zinc/28/87/53/402288753.db2.gz OHXXJHMYVIWGJU-HNNXBMFYSA-N 1 2 320.433 2.026 40 0 DEABLO CC(C)[NH+](c1ccc(N)cc1C(=O)N1CCOCC1)C(C)C ZINC000226323583 402327276 /nfs/dbraw/zinc/32/72/76/402327276.db2.gz BDEAMEHTGHDKPC-UHFFFAOYSA-N 1 2 305.422 2.364 40 0 DEABLO Cc1ncsc1C[N@H+]1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000248018958 402580886 /nfs/dbraw/zinc/58/08/86/402580886.db2.gz IIINAEAVPIHPRI-OAHLLOKOSA-N 1 2 318.446 2.459 40 0 DEABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000248018958 402580889 /nfs/dbraw/zinc/58/08/89/402580889.db2.gz IIINAEAVPIHPRI-OAHLLOKOSA-N 1 2 318.446 2.459 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)[nH+]1 ZINC000257219628 402704141 /nfs/dbraw/zinc/70/41/41/402704141.db2.gz DHMINMHCBUDCMC-GFCCVEGCSA-N 1 2 300.362 2.065 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257231434 402706191 /nfs/dbraw/zinc/70/61/91/402706191.db2.gz GGQQAXAQKPUWEO-ZDUSSCGKSA-N 1 2 318.446 2.442 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCOC[C@H]1c1cc(=O)[nH]c(C)n1 ZINC000257247887 402708132 /nfs/dbraw/zinc/70/81/32/402708132.db2.gz JAZWHUBSQIXAFT-ZDUSSCGKSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccsc1C[N@H+]1CCOC[C@H]1c1cc(=O)[nH]c(C)n1 ZINC000257247887 402708134 /nfs/dbraw/zinc/70/81/34/402708134.db2.gz JAZWHUBSQIXAFT-ZDUSSCGKSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C(C)C)no2)[nH+]1 ZINC000257258960 402709400 /nfs/dbraw/zinc/70/94/00/402709400.db2.gz KWFOLVNCEOIOQH-GFCCVEGCSA-N 1 2 304.350 2.043 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257203395 402702509 /nfs/dbraw/zinc/70/25/09/402702509.db2.gz APVFEPBQBQYWCE-CQSZACIVSA-N 1 2 302.378 2.240 40 0 DEABLO COCCC(=O)N1CC[N@H+](C)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257314373 292272332 /nfs/dbraw/zinc/27/23/32/292272332.db2.gz UWQYTBYLQHZAGB-KRWDZBQOSA-N 1 2 320.433 2.325 40 0 DEABLO COCCC(=O)N1CC[N@@H+](C)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257314373 292272334 /nfs/dbraw/zinc/27/23/34/292272334.db2.gz UWQYTBYLQHZAGB-KRWDZBQOSA-N 1 2 320.433 2.325 40 0 DEABLO COC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000072366059 191135349 /nfs/dbraw/zinc/13/53/49/191135349.db2.gz IOVBCRIVGZSYMM-CQSZACIVSA-N 1 2 320.389 2.355 40 0 DEABLO O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000585182444 357340145 /nfs/dbraw/zinc/34/01/45/357340145.db2.gz WAMNCWLDNCHTHI-AWEZNQCLSA-N 1 2 308.341 2.412 40 0 DEABLO Cc1ccccc1OC[C@@]1(O)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585273234 357341032 /nfs/dbraw/zinc/34/10/32/357341032.db2.gz BFQCDPZDLRZVRN-QGZVFWFLSA-N 1 2 301.390 2.124 40 0 DEABLO Cc1ccccc1OC[C@@]1(O)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585273234 357341033 /nfs/dbraw/zinc/34/10/33/357341033.db2.gz BFQCDPZDLRZVRN-QGZVFWFLSA-N 1 2 301.390 2.124 40 0 DEABLO CO[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585290489 357344371 /nfs/dbraw/zinc/34/43/71/357344371.db2.gz DVROXXMDUODFLD-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585290489 357344377 /nfs/dbraw/zinc/34/43/77/357344377.db2.gz DVROXXMDUODFLD-CGTJXYLNSA-N 1 2 313.401 2.183 40 0 DEABLO CCCc1nnsc1C(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257209451 202947250 /nfs/dbraw/zinc/94/72/50/202947250.db2.gz BQKQYSHHJJXNKW-JTQLQIEISA-N 1 2 305.407 2.152 40 0 DEABLO Cc1ccsc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257275264 203004440 /nfs/dbraw/zinc/00/44/40/203004440.db2.gz NOPKPRSFRZERBU-STQMWFEESA-N 1 2 305.403 2.091 40 0 DEABLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257315298 203038611 /nfs/dbraw/zinc/03/86/11/203038611.db2.gz VASDJTVCFVHKAG-UAGQMJEPSA-N 1 2 311.385 2.199 40 0 DEABLO CC(C)COC(=O)[C@@H]([NH3+])[C@@H](C(=O)OCC(C)C)c1ccccc1 ZINC000019203248 182107234 /nfs/dbraw/zinc/10/72/34/182107234.db2.gz BOJVLUPCUOHWSK-HOTGVXAUSA-N 1 2 321.417 2.496 40 0 DEABLO C[C@H](CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000025411164 401834445 /nfs/dbraw/zinc/83/44/45/401834445.db2.gz WYWRSQFEKYSKCP-WCVJEAGWSA-N 1 2 304.434 2.404 40 0 DEABLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000025411164 401834446 /nfs/dbraw/zinc/83/44/46/401834446.db2.gz WYWRSQFEKYSKCP-WCVJEAGWSA-N 1 2 304.434 2.404 40 0 DEABLO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000078394024 401849888 /nfs/dbraw/zinc/84/98/88/401849888.db2.gz GQRZYASNEOWHBY-RWMBFGLXSA-N 1 2 312.410 2.022 40 0 DEABLO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000078394024 401849889 /nfs/dbraw/zinc/84/98/89/401849889.db2.gz GQRZYASNEOWHBY-RWMBFGLXSA-N 1 2 312.410 2.022 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccnc2)CC[N@@H+]1C ZINC000036132095 401903481 /nfs/dbraw/zinc/90/34/81/401903481.db2.gz BGQKHMFBAIIENB-INIZCTEOSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccnc2)CC[N@H+]1C ZINC000036132095 401903483 /nfs/dbraw/zinc/90/34/83/401903483.db2.gz BGQKHMFBAIIENB-INIZCTEOSA-N 1 2 311.385 2.219 40 0 DEABLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCC[C@H]1O ZINC000044941605 401951228 /nfs/dbraw/zinc/95/12/28/401951228.db2.gz DAGILKRNWCQTGA-IAGOWNOFSA-N 1 2 313.401 2.307 40 0 DEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cccnc1)C2 ZINC000096111919 402060393 /nfs/dbraw/zinc/06/03/93/402060393.db2.gz LGVFZTSTBQSUDQ-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cccnc1)C2 ZINC000096111919 402060394 /nfs/dbraw/zinc/06/03/94/402060394.db2.gz LGVFZTSTBQSUDQ-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO COc1ncccc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041588 402048784 /nfs/dbraw/zinc/04/87/84/402048784.db2.gz PTYWOOZGQHHYTD-GVDBMIGSSA-N 1 2 318.417 2.249 40 0 DEABLO COc1ncccc1C[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041588 402048785 /nfs/dbraw/zinc/04/87/85/402048785.db2.gz PTYWOOZGQHHYTD-GVDBMIGSSA-N 1 2 318.417 2.249 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)no1 ZINC000096046372 402050390 /nfs/dbraw/zinc/05/03/90/402050390.db2.gz CMMUMYHILQXWNC-RRQGHBQHSA-N 1 2 314.389 2.434 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)no1 ZINC000096046372 402050392 /nfs/dbraw/zinc/05/03/92/402050392.db2.gz CMMUMYHILQXWNC-RRQGHBQHSA-N 1 2 314.389 2.434 40 0 DEABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096060834 402054683 /nfs/dbraw/zinc/05/46/83/402054683.db2.gz FSSZFEWAISIVDG-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096060834 402054686 /nfs/dbraw/zinc/05/46/86/402054686.db2.gz FSSZFEWAISIVDG-GFCCVEGCSA-N 1 2 306.435 2.414 40 0 DEABLO c1snnc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096072445 402056474 /nfs/dbraw/zinc/05/64/74/402056474.db2.gz DLIRWSRVRFVMJO-HOTGVXAUSA-N 1 2 317.414 2.351 40 0 DEABLO c1snnc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096072445 402056476 /nfs/dbraw/zinc/05/64/76/402056476.db2.gz DLIRWSRVRFVMJO-HOTGVXAUSA-N 1 2 317.414 2.351 40 0 DEABLO Fc1ccc(CN2CC[C@@]23CC[N@H+](Cc2cc[nH]n2)C3)cc1 ZINC000096076077 402056826 /nfs/dbraw/zinc/05/68/26/402056826.db2.gz PIBIDVUHKJECPM-QGZVFWFLSA-N 1 2 300.381 2.399 40 0 DEABLO Fc1ccc(CN2CC[C@@]23CC[N@@H+](Cc2cc[nH]n2)C3)cc1 ZINC000096076077 402056828 /nfs/dbraw/zinc/05/68/28/402056828.db2.gz PIBIDVUHKJECPM-QGZVFWFLSA-N 1 2 300.381 2.399 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197920 402067476 /nfs/dbraw/zinc/06/74/76/402067476.db2.gz ZFQIILDKANZOCD-OAHLLOKOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197920 402067477 /nfs/dbraw/zinc/06/74/77/402067477.db2.gz ZFQIILDKANZOCD-OAHLLOKOSA-N 1 2 312.417 2.434 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257219113 402704541 /nfs/dbraw/zinc/70/45/41/402704541.db2.gz DFPRHTHCJUARLE-CYBMUJFWSA-N 1 2 311.451 2.180 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)[nH+]1 ZINC000257220209 402705117 /nfs/dbraw/zinc/70/51/17/402705117.db2.gz DKADXPCREJMYSP-LBPRGKRZSA-N 1 2 304.419 2.052 40 0 DEABLO COc1cccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257233622 402706615 /nfs/dbraw/zinc/70/66/15/402706615.db2.gz GQABONXJMJNTJP-CQSZACIVSA-N 1 2 321.402 2.253 40 0 DEABLO CC(C)C[N@@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257240582 402707525 /nfs/dbraw/zinc/70/75/25/402707525.db2.gz HUEQQYDYTXOZHZ-AWEZNQCLSA-N 1 2 314.393 2.040 40 0 DEABLO CC(C)C[N@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257240582 402707528 /nfs/dbraw/zinc/70/75/28/402707528.db2.gz HUEQQYDYTXOZHZ-AWEZNQCLSA-N 1 2 314.393 2.040 40 0 DEABLO CNc1nc(NCc2ccccc2C)cc(-c2ccncc2)[nH+]1 ZINC000329053310 404214137 /nfs/dbraw/zinc/21/41/37/404214137.db2.gz VFPBXVHXHONBBY-UHFFFAOYSA-N 1 2 305.385 2.345 40 0 DEABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328972112 404185505 /nfs/dbraw/zinc/18/55/05/404185505.db2.gz DTBPRMZMUNEUAN-UHFFFAOYSA-N 1 2 312.417 2.216 40 0 DEABLO Cc1noc(C)c1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130774499 196109656 /nfs/dbraw/zinc/10/96/56/196109656.db2.gz ZNMJGANJNSWTLG-CYBMUJFWSA-N 1 2 300.362 2.085 40 0 DEABLO O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333892048 269001301 /nfs/dbraw/zinc/00/13/01/269001301.db2.gz YIVHMVRSWHUMRZ-HZMBPMFUSA-N 1 2 310.344 2.275 40 0 DEABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2cc[nH]n2)cc1 ZINC000257228157 277936186 /nfs/dbraw/zinc/93/61/86/277936186.db2.gz FSOKLIWUVSOACI-MRXNPFEDSA-N 1 2 309.373 2.372 40 0 DEABLO c1c[nH+]c(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)[nH]1 ZINC000072378055 191140369 /nfs/dbraw/zinc/14/03/69/191140369.db2.gz PHHJYSVTQYCKDW-ZDUSSCGKSA-N 1 2 322.376 2.070 40 0 DEABLO CNc1nccnc1[C@H]1C[N@H+](CCc2ccc(F)cc2)CCO1 ZINC000257276459 203003837 /nfs/dbraw/zinc/00/38/37/203003837.db2.gz NTVCGRLNRDMYOC-OAHLLOKOSA-N 1 2 316.380 2.273 40 0 DEABLO CNc1nccnc1[C@H]1C[N@@H+](CCc2ccc(F)cc2)CCO1 ZINC000257276459 203003842 /nfs/dbraw/zinc/00/38/42/203003842.db2.gz NTVCGRLNRDMYOC-OAHLLOKOSA-N 1 2 316.380 2.273 40 0 DEABLO CN(C)c1nccnc1[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257299543 203022677 /nfs/dbraw/zinc/02/26/77/203022677.db2.gz RQLQFVYEVDRWMW-ZDUSSCGKSA-N 1 2 304.419 2.178 40 0 DEABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257299543 203022679 /nfs/dbraw/zinc/02/26/79/203022679.db2.gz RQLQFVYEVDRWMW-ZDUSSCGKSA-N 1 2 304.419 2.178 40 0 DEABLO COCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ccc(C)c[nH+]1 ZINC000257288937 203015956 /nfs/dbraw/zinc/01/59/56/203015956.db2.gz PWHYNUOHIYQLER-BFYDXBDKSA-N 1 2 302.418 2.454 40 0 DEABLO Cn1c[nH+]cc1-c1cccc(C[C@H]2CCN(c3ncccn3)C2)n1 ZINC000257293467 203019173 /nfs/dbraw/zinc/01/91/73/203019173.db2.gz QPNMZSFIHPMNHB-CQSZACIVSA-N 1 2 320.400 2.341 40 0 DEABLO COc1ccc(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257318966 203043670 /nfs/dbraw/zinc/04/36/70/203043670.db2.gz VQCSBBVFUWBKIC-ZDUSSCGKSA-N 1 2 300.362 2.142 40 0 DEABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)cc[nH+]1 ZINC000257323797 203047540 /nfs/dbraw/zinc/04/75/40/203047540.db2.gz WLVQJIMRTUKTLK-CQSZACIVSA-N 1 2 312.373 2.226 40 0 DEABLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nonc1C ZINC000019654448 182134211 /nfs/dbraw/zinc/13/42/11/182134211.db2.gz BZXJWSLFSLMSNK-ZDUSSCGKSA-N 1 2 316.361 2.162 40 0 DEABLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nonc1C ZINC000019654448 182134212 /nfs/dbraw/zinc/13/42/12/182134212.db2.gz BZXJWSLFSLMSNK-ZDUSSCGKSA-N 1 2 316.361 2.162 40 0 DEABLO C[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225565 257123441 /nfs/dbraw/zinc/12/34/41/257123441.db2.gz XUUQPKJBSAHUDJ-LBPRGKRZSA-N 1 2 307.394 2.192 40 0 DEABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCCC1 ZINC000253590673 257233304 /nfs/dbraw/zinc/23/33/04/257233304.db2.gz DFSXMMCLLUZOIE-CQSZACIVSA-N 1 2 314.433 2.462 40 0 DEABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCCC1 ZINC000253590673 257233305 /nfs/dbraw/zinc/23/33/05/257233305.db2.gz DFSXMMCLLUZOIE-CQSZACIVSA-N 1 2 314.433 2.462 40 0 DEABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000332827091 145389021 /nfs/dbraw/zinc/38/90/21/145389021.db2.gz LBTWSEZMUDXPIM-QWRGUYRKSA-N 1 2 316.327 2.260 40 0 DEABLO Cc1cc2[nH+]cn(CCC(=O)NC[C@H]3CCCO3)c2cc1C ZINC000000412086 401696657 /nfs/dbraw/zinc/69/66/57/401696657.db2.gz JGWHZVWKVJEVCT-CQSZACIVSA-N 1 2 301.390 2.338 40 0 DEABLO CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCCCCC1)OCO2 ZINC000001338344 401705279 /nfs/dbraw/zinc/70/52/79/401705279.db2.gz IZUYQGKKWVQUST-UHFFFAOYSA-N 1 2 318.373 2.432 40 0 DEABLO CCN(CO)c1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000035681988 401900483 /nfs/dbraw/zinc/90/04/83/401900483.db2.gz YYNMQZFWSBACDP-UHFFFAOYSA-N 1 2 303.753 2.245 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)o1 ZINC000096056701 402053553 /nfs/dbraw/zinc/05/35/53/402053553.db2.gz WYUOGKKSSNNURJ-USXIJHARSA-N 1 2 318.417 2.094 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)o1 ZINC000096056701 402053555 /nfs/dbraw/zinc/05/35/55/402053555.db2.gz WYUOGKKSSNNURJ-USXIJHARSA-N 1 2 318.417 2.094 40 0 DEABLO Fc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096081746 402057840 /nfs/dbraw/zinc/05/78/40/402057840.db2.gz HRVDEZVMFWFBKE-MSOLQXFVSA-N 1 2 313.376 2.310 40 0 DEABLO Fc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccncc2)c1 ZINC000096081746 402057844 /nfs/dbraw/zinc/05/78/44/402057844.db2.gz HRVDEZVMFWFBKE-MSOLQXFVSA-N 1 2 313.376 2.310 40 0 DEABLO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242614853 402445162 /nfs/dbraw/zinc/44/51/62/402445162.db2.gz PKPMAWHLBJUYDN-ZYHUDNBSSA-N 1 2 302.296 2.112 40 0 DEABLO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242614853 402445163 /nfs/dbraw/zinc/44/51/63/402445163.db2.gz PKPMAWHLBJUYDN-ZYHUDNBSSA-N 1 2 302.296 2.112 40 0 DEABLO COCCn1nnnc1[C@@H](c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000245227468 402453081 /nfs/dbraw/zinc/45/30/81/402453081.db2.gz OATLDGDCDDIIFS-GXTWGEPZSA-N 1 2 321.450 2.202 40 0 DEABLO COCCn1nnnc1[C@@H](c1cccs1)[N@H+]1CCC[C@H](C)C1 ZINC000245227468 402453083 /nfs/dbraw/zinc/45/30/83/402453083.db2.gz OATLDGDCDDIIFS-GXTWGEPZSA-N 1 2 321.450 2.202 40 0 DEABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C)on2)n1 ZINC000257210962 402703727 /nfs/dbraw/zinc/70/37/27/402703727.db2.gz BWWRUMSTGQLZNU-QGZVFWFLSA-N 1 2 314.389 2.351 40 0 DEABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cc(C)on2)n1 ZINC000257210962 402703730 /nfs/dbraw/zinc/70/37/30/402703730.db2.gz BWWRUMSTGQLZNU-QGZVFWFLSA-N 1 2 314.389 2.351 40 0 DEABLO Cc1ncccc1O[C@H]1CC[N@H+](Cc2nccs2)CC[C@@H]1O ZINC000257217546 402704359 /nfs/dbraw/zinc/70/43/59/402704359.db2.gz CZLJCAIHBQDEPU-ZFWWWQNUSA-N 1 2 319.430 2.251 40 0 DEABLO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2nccs2)CC[C@@H]1O ZINC000257217546 402704363 /nfs/dbraw/zinc/70/43/63/402704363.db2.gz CZLJCAIHBQDEPU-ZFWWWQNUSA-N 1 2 319.430 2.251 40 0 DEABLO Cc1nc(N2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)cc[nH+]1 ZINC000257238280 402706901 /nfs/dbraw/zinc/70/69/01/402706901.db2.gz HKHDVAFFVQLONT-AWEZNQCLSA-N 1 2 307.361 2.307 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257259530 402710022 /nfs/dbraw/zinc/71/00/22/402710022.db2.gz KYTQQKOGZSTCIQ-LBPRGKRZSA-N 1 2 315.421 2.379 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000257260595 402710197 /nfs/dbraw/zinc/71/01/97/402710197.db2.gz LDNBZOTUZONXRM-ZDUSSCGKSA-N 1 2 309.366 2.383 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257268933 402710612 /nfs/dbraw/zinc/71/06/12/402710612.db2.gz MNVXWZASIWKGAF-LBPRGKRZSA-N 1 2 304.419 2.432 40 0 DEABLO c1coc(C[N@H+]2Cc3ccnn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588668 402669177 /nfs/dbraw/zinc/66/91/77/402669177.db2.gz NKBDBPDKVQUPML-GOSISDBHSA-N 1 2 324.384 2.472 40 0 DEABLO c1coc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588668 402669179 /nfs/dbraw/zinc/66/91/79/402669179.db2.gz NKBDBPDKVQUPML-GOSISDBHSA-N 1 2 324.384 2.472 40 0 DEABLO CNc1nc(NCCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329014740 404201408 /nfs/dbraw/zinc/20/14/08/404201408.db2.gz MWZVUWQIRRIOEV-UHFFFAOYSA-N 1 2 305.385 2.079 40 0 DEABLO O=C(CCc1cccnc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131252625 196153776 /nfs/dbraw/zinc/15/37/76/196153776.db2.gz CHJKKLDMSMNRGW-MRXNPFEDSA-N 1 2 310.401 2.194 40 0 DEABLO C[C@@H]([NH3+])c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534667 278319062 /nfs/dbraw/zinc/31/90/62/278319062.db2.gz XTNMKICTXIAOQT-ZCFIWIBFSA-N 1 2 314.130 2.096 40 0 DEABLO CCOc1ccc(Nc2nc(N(C)C)[nH+]c(N(C)C)n2)cc1 ZINC000027788815 1077638151 /nfs/dbraw/zinc/63/81/51/1077638151.db2.gz CHAQHEGOPDMQNC-UHFFFAOYSA-N 1 2 302.382 2.146 40 0 DEABLO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000072378575 191140510 /nfs/dbraw/zinc/14/05/10/191140510.db2.gz ZFQVWWJJMHAKSK-OAHLLOKOSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC000072378575 191140512 /nfs/dbraw/zinc/14/05/12/191140512.db2.gz ZFQVWWJJMHAKSK-OAHLLOKOSA-N 1 2 322.372 2.276 40 0 DEABLO c1c[nH+]c(CN2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)[nH]1 ZINC000072378056 191140568 /nfs/dbraw/zinc/14/05/68/191140568.db2.gz PHHJYSVTQYCKDW-CYBMUJFWSA-N 1 2 322.376 2.070 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@](O)(COc3ccccc3C)C2)no1 ZINC000585274771 357341476 /nfs/dbraw/zinc/34/14/76/357341476.db2.gz NKQIAARQZKFZMN-QGZVFWFLSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@](O)(COc3ccccc3C)C2)no1 ZINC000585274771 357341480 /nfs/dbraw/zinc/34/14/80/357341480.db2.gz NKQIAARQZKFZMN-QGZVFWFLSA-N 1 2 302.374 2.307 40 0 DEABLO CN(C)c1nccnc1[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000257336109 203057521 /nfs/dbraw/zinc/05/75/21/203057521.db2.gz YNFOYBPOVGGEFY-CYBMUJFWSA-N 1 2 304.419 2.178 40 0 DEABLO CN(C)c1nccnc1[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000257336109 203057525 /nfs/dbraw/zinc/05/75/25/203057525.db2.gz YNFOYBPOVGGEFY-CYBMUJFWSA-N 1 2 304.419 2.178 40 0 DEABLO Cc1cnc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000257316686 203041167 /nfs/dbraw/zinc/04/11/67/203041167.db2.gz VGOKGWCBJMDYOE-CYBMUJFWSA-N 1 2 304.419 2.444 40 0 DEABLO CC[N@@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257318002 203044016 /nfs/dbraw/zinc/04/40/16/203044016.db2.gz VMCAHCNLNXXFPT-NSHDSACASA-N 1 2 304.423 2.346 40 0 DEABLO CC[N@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257318002 203044018 /nfs/dbraw/zinc/04/40/18/203044018.db2.gz VMCAHCNLNXXFPT-NSHDSACASA-N 1 2 304.423 2.346 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257327206 203050492 /nfs/dbraw/zinc/05/04/92/203050492.db2.gz XALWRYVROIHIMH-ZDUSSCGKSA-N 1 2 309.373 2.304 40 0 DEABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)Cn1cccn1)C2 ZINC000257341933 203065509 /nfs/dbraw/zinc/06/55/09/203065509.db2.gz ZMMBAEIJAQMZPZ-MRXNPFEDSA-N 1 2 321.384 2.172 40 0 DEABLO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2Cl)CC1 ZINC000016780778 182060868 /nfs/dbraw/zinc/06/08/68/182060868.db2.gz BRHOJJYXBBPLRK-UHFFFAOYSA-N 1 2 316.854 2.283 40 0 DEABLO Cc1cccc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c1C ZINC000042796404 183309774 /nfs/dbraw/zinc/30/97/74/183309774.db2.gz ZHDQWFLHLGQRKH-OAHLLOKOSA-N 1 2 301.390 2.474 40 0 DEABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3ccccc3)n2)c1 ZINC000095533424 257137652 /nfs/dbraw/zinc/13/76/52/257137652.db2.gz GNEMZLFPDOVIHF-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533424 257137653 /nfs/dbraw/zinc/13/76/53/257137653.db2.gz GNEMZLFPDOVIHF-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc(NCc2nc([C@H]([NH3+])c3ccccc3)n[nH]2)c1 ZINC000095533424 257137655 /nfs/dbraw/zinc/13/76/55/257137655.db2.gz GNEMZLFPDOVIHF-MRXNPFEDSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)c1 ZINC000095533542 257138092 /nfs/dbraw/zinc/13/80/92/257138092.db2.gz QSYSUZYJTNTAJH-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)c1 ZINC000095533542 257138093 /nfs/dbraw/zinc/13/80/93/257138093.db2.gz QSYSUZYJTNTAJH-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1cccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)c1 ZINC000095533542 257138094 /nfs/dbraw/zinc/13/80/94/257138094.db2.gz QSYSUZYJTNTAJH-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO Clc1cccc(C[N@@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265906 401808307 /nfs/dbraw/zinc/80/83/07/401808307.db2.gz CIZYNTTZCZETPM-OAHLLOKOSA-N 1 2 319.792 2.410 40 0 biogenic,in-vitro DEABLO Clc1cccc(C[N@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265906 401808309 /nfs/dbraw/zinc/80/83/09/401808309.db2.gz CIZYNTTZCZETPM-OAHLLOKOSA-N 1 2 319.792 2.410 40 0 biogenic,in-vitro DEABLO CC[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000011025559 401773190 /nfs/dbraw/zinc/77/31/90/401773190.db2.gz WLCZBTQXUNFIRA-LLVKDONJSA-N 1 2 301.325 2.137 40 0 DEABLO CCOc1ccc([C@H](C[NH+]2CCOCC2)C(C)=O)cc1OC ZINC000031842245 401874643 /nfs/dbraw/zinc/87/46/43/401874643.db2.gz BVBJMTIQNKBMFX-OAHLLOKOSA-N 1 2 307.390 2.099 40 0 DEABLO CCc1cc2c(cc1C(=O)CC[NH+]1CCOCC1)OCCCO2 ZINC000033339934 401890213 /nfs/dbraw/zinc/89/02/13/401890213.db2.gz ALSPHYYPJLXMIZ-UHFFFAOYSA-N 1 2 319.401 2.315 40 0 DEABLO CCc1ccc(C(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)cc1 ZINC000096084442 402057891 /nfs/dbraw/zinc/05/78/91/402057891.db2.gz FMLHWGHKRMIKRO-UHFFFAOYSA-N 1 2 312.417 2.200 40 0 DEABLO O=C([C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2)N1CCCC1 ZINC000096253165 402074841 /nfs/dbraw/zinc/07/48/41/402074841.db2.gz JHVWUGYGTZUCFO-IXDOHACOSA-N 1 2 318.392 2.037 40 0 DEABLO O=C([C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2)N1CCCC1 ZINC000096253165 402074843 /nfs/dbraw/zinc/07/48/43/402074843.db2.gz JHVWUGYGTZUCFO-IXDOHACOSA-N 1 2 318.392 2.037 40 0 DEABLO Cc1ccc(CN2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)o1 ZINC000096259711 402075585 /nfs/dbraw/zinc/07/55/85/402075585.db2.gz VLXWWKLXCKOJBD-UHFFFAOYSA-N 1 2 317.437 2.426 40 0 DEABLO Cc1ccc(CN2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)o1 ZINC000096259711 402075586 /nfs/dbraw/zinc/07/55/86/402075586.db2.gz VLXWWKLXCKOJBD-UHFFFAOYSA-N 1 2 317.437 2.426 40 0 DEABLO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)oc1C ZINC000096184628 402065541 /nfs/dbraw/zinc/06/55/41/402065541.db2.gz KIKDPQLBLKFSNG-ZWKOTPCHSA-N 1 2 314.433 2.479 40 0 DEABLO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)oc1C ZINC000096184628 402065543 /nfs/dbraw/zinc/06/55/43/402065543.db2.gz KIKDPQLBLKFSNG-ZWKOTPCHSA-N 1 2 314.433 2.479 40 0 DEABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2[nH]cnc2c1 ZINC000153712141 402165172 /nfs/dbraw/zinc/16/51/72/402165172.db2.gz HFICFCVWESKJMF-AWEZNQCLSA-N 1 2 321.384 2.357 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)/C=C/c2ccccc2)c[nH+]1 ZINC000224349698 402314179 /nfs/dbraw/zinc/31/41/79/402314179.db2.gz DFIXTKBVHUIYKQ-ZHACJKMWSA-N 1 2 311.389 2.261 40 0 DEABLO CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000247891288 402577262 /nfs/dbraw/zinc/57/72/62/402577262.db2.gz TUTJEFLHRZEFQG-KRWDZBQOSA-N 1 2 308.385 2.462 40 0 DEABLO CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000247891288 402577264 /nfs/dbraw/zinc/57/72/64/402577264.db2.gz TUTJEFLHRZEFQG-KRWDZBQOSA-N 1 2 308.385 2.462 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccc(Cc3ccccc3F)nc2)c1 ZINC000257238340 402706993 /nfs/dbraw/zinc/70/69/93/402706993.db2.gz HKNHDRGJYXJYSL-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)ccn1 ZINC000257247115 402708341 /nfs/dbraw/zinc/70/83/41/402708341.db2.gz IXNUWSGKRDOPPC-HNNXBMFYSA-N 1 2 313.405 2.098 40 0 DEABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2cccc(NC)n2)C1 ZINC000257257464 402709435 /nfs/dbraw/zinc/70/94/35/402709435.db2.gz KPRBLUDCQLMZCT-OAHLLOKOSA-N 1 2 315.421 2.303 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH+]1 ZINC000257331083 402712109 /nfs/dbraw/zinc/71/21/09/402712109.db2.gz XRHHMPMJAPANIC-HNNXBMFYSA-N 1 2 322.372 2.276 40 0 DEABLO CCCn1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000256049750 402700183 /nfs/dbraw/zinc/70/01/83/402700183.db2.gz BGQCWLKGBMZSHQ-UHFFFAOYSA-N 1 2 301.316 2.342 40 0 DEABLO O=c1cc(CC[C@@H]2C[N@H+](Cc3ccsc3)CCO2)nc[nH]1 ZINC000257201896 402702531 /nfs/dbraw/zinc/70/25/31/402702531.db2.gz AJNVWBKFGZOXGF-CQSZACIVSA-N 1 2 305.403 2.077 40 0 DEABLO O=c1cc(CC[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)nc[nH]1 ZINC000257201896 402702534 /nfs/dbraw/zinc/70/25/34/402702534.db2.gz AJNVWBKFGZOXGF-CQSZACIVSA-N 1 2 305.403 2.077 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328993186 404193874 /nfs/dbraw/zinc/19/38/74/404193874.db2.gz IZSPYRZLABQQII-SECBINFHSA-N 1 2 320.343 2.012 40 0 DEABLO Cc1cnn(C)c1C[N@H+]1CCCC[C@@H]1c1ccnc(N(C)C)n1 ZINC000257339359 302392257 /nfs/dbraw/zinc/39/22/57/302392257.db2.gz ZBJJWTUAARTULZ-OAHLLOKOSA-N 1 2 314.437 2.312 40 0 DEABLO Cc1cnn(C)c1C[N@@H+]1CCCC[C@@H]1c1ccnc(N(C)C)n1 ZINC000257339359 302392259 /nfs/dbraw/zinc/39/22/59/302392259.db2.gz ZBJJWTUAARTULZ-OAHLLOKOSA-N 1 2 314.437 2.312 40 0 DEABLO COc1ccc(CSCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408574946 533731361 /nfs/dbraw/zinc/73/13/61/533731361.db2.gz MVIFHVSMVVYABL-UHFFFAOYSA-N 1 2 319.430 2.331 40 0 DEABLO CCC[N@@H+]1C[C@]2(F)CN(Cc3cccc(OC)c3)C(=O)[C@]2(F)C1 ZINC000306141513 528294348 /nfs/dbraw/zinc/29/43/48/528294348.db2.gz VYTGBAIEBCFULH-DLBZAZTESA-N 1 2 324.371 2.180 40 0 DEABLO CCC[N@H+]1C[C@]2(F)CN(Cc3cccc(OC)c3)C(=O)[C@]2(F)C1 ZINC000306141513 528294350 /nfs/dbraw/zinc/29/43/50/528294350.db2.gz VYTGBAIEBCFULH-DLBZAZTESA-N 1 2 324.371 2.180 40 0 DEABLO COC(=O)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000072366064 191135981 /nfs/dbraw/zinc/13/59/81/191135981.db2.gz AXLRKSDURDYZBP-AWEZNQCLSA-N 1 2 320.389 2.355 40 0 DEABLO Cc1cc(C(=O)N2CCC(C)CC2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072387018 191145353 /nfs/dbraw/zinc/14/53/53/191145353.db2.gz RJVJLRBWXVWTKX-HNNXBMFYSA-N 1 2 302.422 2.424 40 0 DEABLO Cc1cc(C(=O)N2CCC(C)CC2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072387018 191145354 /nfs/dbraw/zinc/14/53/54/191145354.db2.gz RJVJLRBWXVWTKX-HNNXBMFYSA-N 1 2 302.422 2.424 40 0 DEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585102941 357333804 /nfs/dbraw/zinc/33/38/04/357333804.db2.gz LRCROEKRNPJQMU-KRWDZBQOSA-N 1 2 302.418 2.489 40 0 DEABLO Cc1nc(N2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cc[nH+]1 ZINC000585274418 357341328 /nfs/dbraw/zinc/34/13/28/357341328.db2.gz KWFAMFCEEMOQCT-HOTGVXAUSA-N 1 2 301.365 2.497 40 0 DEABLO c1csc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c1 ZINC000247842188 202693372 /nfs/dbraw/zinc/69/33/72/202693372.db2.gz QLXRUOUXTRJDBH-ZDUSSCGKSA-N 1 2 317.414 2.351 40 0 DEABLO CC(C)C(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257269779 202998259 /nfs/dbraw/zinc/99/82/59/202998259.db2.gz MRISECACSSGPLM-KRWDZBQOSA-N 1 2 317.433 2.233 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257292481 203017521 /nfs/dbraw/zinc/01/75/21/203017521.db2.gz QLRKFLGYQCHWDO-CQSZACIVSA-N 1 2 323.400 2.094 40 0 DEABLO CC(C)OCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020026854 182180293 /nfs/dbraw/zinc/18/02/93/182180293.db2.gz CGWIXECZTRFJFB-UHFFFAOYSA-N 1 2 320.433 2.064 40 0 DEABLO Cc1cccc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1C ZINC000042796399 183310037 /nfs/dbraw/zinc/31/00/37/183310037.db2.gz ZHDQWFLHLGQRKH-HNNXBMFYSA-N 1 2 301.390 2.474 40 0 DEABLO CC(=O)N1CCN(c2cc(C)c(C(=O)c3ccccc3)c[nH+]2)CC1 ZINC000072223730 257123163 /nfs/dbraw/zinc/12/31/63/257123163.db2.gz GBRXATLELYMLEU-UHFFFAOYSA-N 1 2 323.396 2.290 40 0 DEABLO CCOc1ccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OC ZINC000095534308 257136665 /nfs/dbraw/zinc/13/66/65/257136665.db2.gz QEHRKXJZKSVQSV-OCCSQVGLSA-N 1 2 318.377 2.112 40 0 DEABLO CCn1cc2c(n1)C[N@@H+](Cc1c(C)noc1C)C[C@@H]2COC ZINC000096045176 402049394 /nfs/dbraw/zinc/04/93/94/402049394.db2.gz CDUMGSYXGIUIFT-CYBMUJFWSA-N 1 2 304.394 2.254 40 0 DEABLO CCn1cc2c(n1)C[N@H+](Cc1c(C)noc1C)C[C@@H]2COC ZINC000096045176 402049396 /nfs/dbraw/zinc/04/93/96/402049396.db2.gz CDUMGSYXGIUIFT-CYBMUJFWSA-N 1 2 304.394 2.254 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000096044789 402049901 /nfs/dbraw/zinc/04/99/01/402049901.db2.gz XMCYQFFRURANDN-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2ncn(C)c21 ZINC000096044789 402049905 /nfs/dbraw/zinc/04/99/05/402049905.db2.gz XMCYQFFRURANDN-CQSZACIVSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096206767 402069823 /nfs/dbraw/zinc/06/98/23/402069823.db2.gz PSEFJMIOKMEYFK-MUBLQREKSA-N 1 2 317.414 2.263 40 0 DEABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252901 402075025 /nfs/dbraw/zinc/07/50/25/402075025.db2.gz YQAKJJBPGNKEAI-OWCLPIDISA-N 1 2 322.836 2.454 40 0 DEABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252901 402075026 /nfs/dbraw/zinc/07/50/26/402075026.db2.gz YQAKJJBPGNKEAI-OWCLPIDISA-N 1 2 322.836 2.454 40 0 DEABLO COc1ccc(C[N@@H+]2CCc3nc(SC)[nH]c(=O)c3C2)cc1 ZINC000096531492 402098706 /nfs/dbraw/zinc/09/87/06/402098706.db2.gz QWDQNEKAPHYEOM-UHFFFAOYSA-N 1 2 317.414 2.471 40 0 DEABLO COc1ccc(C[N@H+]2CCc3nc(SC)[nH]c(=O)c3C2)cc1 ZINC000096531492 402098710 /nfs/dbraw/zinc/09/87/10/402098710.db2.gz QWDQNEKAPHYEOM-UHFFFAOYSA-N 1 2 317.414 2.471 40 0 DEABLO c1cnn(C[C@H]2Cn3ccnc3C[N@H+](Cc3cccs3)C2)c1 ZINC000096188538 402066787 /nfs/dbraw/zinc/06/67/87/402066787.db2.gz AVQCGJUKLUVHNS-CQSZACIVSA-N 1 2 313.430 2.473 40 0 DEABLO c1cnn(C[C@H]2Cn3ccnc3C[N@@H+](Cc3cccs3)C2)c1 ZINC000096188538 402066788 /nfs/dbraw/zinc/06/67/88/402066788.db2.gz AVQCGJUKLUVHNS-CQSZACIVSA-N 1 2 313.430 2.473 40 0 DEABLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2csc(C)n2)C1 ZINC000096188929 402066864 /nfs/dbraw/zinc/06/68/64/402066864.db2.gz QTZWWFOROXILTF-CYBMUJFWSA-N 1 2 306.435 2.317 40 0 DEABLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2csc(C)n2)C1 ZINC000096188929 402066866 /nfs/dbraw/zinc/06/68/66/402066866.db2.gz QTZWWFOROXILTF-CYBMUJFWSA-N 1 2 306.435 2.317 40 0 DEABLO Cc1cc(C(=O)N2CCN(CC3CC3)c3[nH+]cccc3C2)no1 ZINC000096198925 402067633 /nfs/dbraw/zinc/06/76/33/402067633.db2.gz DEDNCPXQEAORHH-UHFFFAOYSA-N 1 2 312.373 2.250 40 0 DEABLO c1ccc(O[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)nc1 ZINC000097953761 402133678 /nfs/dbraw/zinc/13/36/78/402133678.db2.gz HFVCTYSAKDHUFN-XYJFISCASA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(O[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000097953761 402133680 /nfs/dbraw/zinc/13/36/80/402133680.db2.gz HFVCTYSAKDHUFN-XYJFISCASA-N 1 2 311.385 2.287 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)[nH+]1 ZINC000257207055 402703389 /nfs/dbraw/zinc/70/33/89/402703389.db2.gz BGEIKUUXKRKNLR-INIZCTEOSA-N 1 2 324.428 2.487 40 0 DEABLO CCc1nnsc1C(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257216281 402704396 /nfs/dbraw/zinc/70/43/96/402704396.db2.gz CTVVFQFKDWZMJO-LLVKDONJSA-N 1 2 319.434 2.162 40 0 DEABLO Cc1cc([C@H]2CCCC[N@H+]2Cc2nccn2C)nc2nccn21 ZINC000257221867 402705197 /nfs/dbraw/zinc/70/51/97/402705197.db2.gz DQVZQZMUAAGMIA-OAHLLOKOSA-N 1 2 310.405 2.498 40 0 DEABLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2nccn2C)nc2nccn21 ZINC000257221867 402705198 /nfs/dbraw/zinc/70/51/98/402705198.db2.gz DQVZQZMUAAGMIA-OAHLLOKOSA-N 1 2 310.405 2.498 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC000257256229 402709309 /nfs/dbraw/zinc/70/93/09/402709309.db2.gz KKNWZRQGBBUJNW-AWEZNQCLSA-N 1 2 315.373 2.063 40 0 DEABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257207700 402702993 /nfs/dbraw/zinc/70/29/93/402702993.db2.gz BIVOJLDJCJAGFN-INIZCTEOSA-N 1 2 315.421 2.222 40 0 DEABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(NC)n3)C2)c(C)n1 ZINC000257207700 402702995 /nfs/dbraw/zinc/70/29/95/402702995.db2.gz BIVOJLDJCJAGFN-INIZCTEOSA-N 1 2 315.421 2.222 40 0 DEABLO CNc1nc(NCc2ccccc2OC)cc(-c2cccnc2)[nH+]1 ZINC000328963417 404181739 /nfs/dbraw/zinc/18/17/39/404181739.db2.gz BMWKUBLSHWJUEJ-UHFFFAOYSA-N 1 2 321.384 2.045 40 0 DEABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000328974935 404186512 /nfs/dbraw/zinc/18/65/12/404186512.db2.gz FIERWRUUNSZJDR-UHFFFAOYSA-N 1 2 312.417 2.353 40 0 DEABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1ccncc1 ZINC000096201254 278112714 /nfs/dbraw/zinc/11/27/14/278112714.db2.gz MCFDVGXEJZJKOT-CQSZACIVSA-N 1 2 308.389 2.100 40 0 DEABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096201254 278112716 /nfs/dbraw/zinc/11/27/16/278112716.db2.gz MCFDVGXEJZJKOT-CQSZACIVSA-N 1 2 308.389 2.100 40 0 DEABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 ZINC000026505299 295024941 /nfs/dbraw/zinc/02/49/41/295024941.db2.gz DJPAXUPAHIQLHK-ZJUUUORDSA-N 1 2 320.798 2.133 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)CCC3)[nH+]1 ZINC000257342810 301025172 /nfs/dbraw/zinc/02/51/72/301025172.db2.gz ZQGBAIIKSQBEMX-MRXNPFEDSA-N 1 2 311.385 2.421 40 0 DEABLO Cc1cccc(OC[C@]2(O)CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000585273701 357341296 /nfs/dbraw/zinc/34/12/96/357341296.db2.gz DJODREYQPDMBTG-KRWDZBQOSA-N 1 2 301.390 2.124 40 0 DEABLO Cc1cccc(OC[C@]2(O)CCC[N@@H+](Cc3cnc[nH]3)C2)c1 ZINC000585273701 357341297 /nfs/dbraw/zinc/34/12/97/357341297.db2.gz DJODREYQPDMBTG-KRWDZBQOSA-N 1 2 301.390 2.124 40 0 DEABLO OC[C@]1(Cc2cccc(F)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000585276614 357342470 /nfs/dbraw/zinc/34/24/70/357342470.db2.gz QNZKRKFKRXSBDU-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@]1(Cc2cccc(F)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000585276614 357342474 /nfs/dbraw/zinc/34/24/74/357342474.db2.gz QNZKRKFKRXSBDU-SFHVURJKSA-N 1 2 316.376 2.027 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)[nH+]1 ZINC000257219872 202953826 /nfs/dbraw/zinc/95/38/26/202953826.db2.gz DIOKRNKGQNOUIS-SECBINFHSA-N 1 2 306.753 2.102 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[nH+]1 ZINC000257305527 203030049 /nfs/dbraw/zinc/03/00/49/203030049.db2.gz SQKRQFAZEYUWEE-ZDUSSCGKSA-N 1 2 309.366 2.383 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)[nH+]1 ZINC000257331796 203054193 /nfs/dbraw/zinc/05/41/93/203054193.db2.gz XUHFZYUQBFHICL-CQSZACIVSA-N 1 2 301.394 2.056 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257315569 203041098 /nfs/dbraw/zinc/04/10/98/203041098.db2.gz VBYWJXBRSFUFTC-CYBMUJFWSA-N 1 2 317.364 2.263 40 0 DEABLO O=C(c1ccn(C(F)F)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019402100 182121961 /nfs/dbraw/zinc/12/19/61/182121961.db2.gz FPZPQVGFJUFURM-UHFFFAOYSA-N 1 2 321.331 2.026 40 0 DEABLO CC(C)C[N@@H+]1CC(=O)N2CCC[C@@H](c3ccccc3)N2C(=O)C1 ZINC000001579219 401708307 /nfs/dbraw/zinc/70/83/07/401708307.db2.gz FOWZGRHCVKGPGV-INIZCTEOSA-N 1 2 315.417 2.065 40 0 DEABLO CC(C)C[N@H+]1CC(=O)N2CCC[C@@H](c3ccccc3)N2C(=O)C1 ZINC000001579219 401708310 /nfs/dbraw/zinc/70/83/10/401708310.db2.gz FOWZGRHCVKGPGV-INIZCTEOSA-N 1 2 315.417 2.065 40 0 DEABLO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1cc(C2CC2)n[nH]1 ZINC000012147223 401780297 /nfs/dbraw/zinc/78/02/97/401780297.db2.gz SBVHLAAAQTXDOG-UHFFFAOYSA-N 1 2 321.384 2.467 40 0 DEABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)co1 ZINC000096041859 402049044 /nfs/dbraw/zinc/04/90/44/402049044.db2.gz UDPFYLKDEPEQBY-ZMSDIMECSA-N 1 2 300.358 2.485 40 0 DEABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)co1 ZINC000096041859 402049047 /nfs/dbraw/zinc/04/90/47/402049047.db2.gz UDPFYLKDEPEQBY-ZMSDIMECSA-N 1 2 300.358 2.485 40 0 DEABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1nccs1)C2 ZINC000096044898 402049413 /nfs/dbraw/zinc/04/94/13/402049413.db2.gz BDPQGQFQSAQFPO-ZDUSSCGKSA-N 1 2 318.446 2.403 40 0 DEABLO Cc1ccc(C(=O)N2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048587 402050757 /nfs/dbraw/zinc/05/07/57/402050757.db2.gz OUKHOWTZQAKBOW-WMLDXEAASA-N 1 2 315.373 2.421 40 0 DEABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1ccccn1)C2 ZINC000096060242 402053939 /nfs/dbraw/zinc/05/39/39/402053939.db2.gz CXCWTJIGRAHOGS-HNNXBMFYSA-N 1 2 312.417 2.341 40 0 DEABLO O=C(c1cnccn1)N1CCC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC000096062870 402055619 /nfs/dbraw/zinc/05/56/19/402055619.db2.gz KDPXHHUQEKXGJG-UHFFFAOYSA-N 1 2 323.400 2.004 40 0 DEABLO CCOC[C@H]1C[N@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000096068293 402056319 /nfs/dbraw/zinc/05/63/19/402056319.db2.gz KZZQOQMXMXNTQP-CYBMUJFWSA-N 1 2 306.435 2.321 40 0 DEABLO CCOC[C@H]1C[N@@H+](Cc2scnc2C)Cc2cn(C)nc21 ZINC000096068293 402056322 /nfs/dbraw/zinc/05/63/22/402056322.db2.gz KZZQOQMXMXNTQP-CYBMUJFWSA-N 1 2 306.435 2.321 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096074898 402056978 /nfs/dbraw/zinc/05/69/78/402056978.db2.gz MHKMWFWGTUKPDS-HNNXBMFYSA-N 1 2 320.418 2.003 40 0 DEABLO c1coc(C[N@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 ZINC000096074898 402056981 /nfs/dbraw/zinc/05/69/81/402056981.db2.gz MHKMWFWGTUKPDS-HNNXBMFYSA-N 1 2 320.418 2.003 40 0 DEABLO OCc1cc(CC2([NH2+]Cc3cc4ccccc4o3)COC2)no1 ZINC000067898085 402177961 /nfs/dbraw/zinc/17/79/61/402177961.db2.gz KCDNJGVUTHIRKC-UHFFFAOYSA-N 1 2 314.341 2.014 40 0 biogenic,in-vitro DEABLO COCC[C@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000247817062 402576188 /nfs/dbraw/zinc/57/61/88/402576188.db2.gz BTYMHNOPFLWWJV-AWEZNQCLSA-N 1 2 319.401 2.433 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257208920 402703380 /nfs/dbraw/zinc/70/33/80/402703380.db2.gz BOBQFYCRRWURNV-ZDUSSCGKSA-N 1 2 305.403 2.286 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257219114 402704275 /nfs/dbraw/zinc/70/42/75/402704275.db2.gz DFPRHTHCJUARLE-ZDUSSCGKSA-N 1 2 311.451 2.180 40 0 DEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]1c1cnccn1 ZINC000257218734 402704597 /nfs/dbraw/zinc/70/45/97/402704597.db2.gz DEGLQHVMWADTSQ-HNNXBMFYSA-N 1 2 321.384 2.339 40 0 DEABLO Cc1nc(N2CCC[C@@H]2c2ncc(C(=O)N(C)C)s2)cc[nH+]1 ZINC000257249379 402708407 /nfs/dbraw/zinc/70/84/07/402708407.db2.gz JIAAHZKBZMJKPM-LLVKDONJSA-N 1 2 317.418 2.285 40 0 DEABLO Cc1cc(C)nc(N2CCC[C@H]2c2nccnc2-n2cc[nH+]c2)n1 ZINC000257313084 402712267 /nfs/dbraw/zinc/71/22/67/402712267.db2.gz UQZUHQASNRFACZ-AWEZNQCLSA-N 1 2 321.388 2.411 40 0 DEABLO O=c1cc(CC[C@H]2C[N@H+](Cc3ccsc3)CCO2)nc[nH]1 ZINC000257201895 402702673 /nfs/dbraw/zinc/70/26/73/402702673.db2.gz AJNVWBKFGZOXGF-AWEZNQCLSA-N 1 2 305.403 2.077 40 0 DEABLO O=c1cc(CC[C@H]2C[N@@H+](Cc3ccsc3)CCO2)nc[nH]1 ZINC000257201895 402702676 /nfs/dbraw/zinc/70/26/76/402702676.db2.gz AJNVWBKFGZOXGF-AWEZNQCLSA-N 1 2 305.403 2.077 40 0 DEABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2cc[nH]n2)cc1 ZINC000257228156 286364662 /nfs/dbraw/zinc/36/46/62/286364662.db2.gz FSOKLIWUVSOACI-INIZCTEOSA-N 1 2 309.373 2.372 40 0 DEABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000328963771 404183509 /nfs/dbraw/zinc/18/35/09/404183509.db2.gz BQTTWQUHVCFFPL-SNVBAGLBSA-N 1 2 316.380 2.182 40 0 DEABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328963770 404184003 /nfs/dbraw/zinc/18/40/03/404184003.db2.gz BQTTWQUHVCFFPL-JTQLQIEISA-N 1 2 316.380 2.182 40 0 DEABLO O=C(Cc1ccsc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130944916 196125644 /nfs/dbraw/zinc/12/56/44/196125644.db2.gz BFWBBYRLLSYKLV-CQSZACIVSA-N 1 2 301.415 2.471 40 0 DEABLO O=c1[nH]n(CC[C@H]2Nc3ccccc3C[NH2+]2)c(=O)c2ccccc12 ZINC000409204939 227250814 /nfs/dbraw/zinc/25/08/14/227250814.db2.gz DNQFYDZQBIDVIX-MRXNPFEDSA-N 1 2 322.368 2.034 40 0 DEABLO S=C(NCC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000408576257 534458565 /nfs/dbraw/zinc/45/85/65/534458565.db2.gz WPGLSODOYGVROI-UHFFFAOYSA-N 1 2 300.427 2.437 40 0 DEABLO O=C(NC[C@@H]1CCc2[nH+]cc(-c3ccsc3)n21)[C@H]1CCOC1 ZINC000306144117 534600152 /nfs/dbraw/zinc/60/01/52/534600152.db2.gz YWMYZAQZDBTEQG-AAEUAGOBSA-N 1 2 317.414 2.252 40 0 DEABLO CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CC[NH+](C)CC1 ZINC000027975840 1078180831 /nfs/dbraw/zinc/18/08/31/1078180831.db2.gz GPSGEDHRRJKPEH-QGZVFWFLSA-N 1 2 302.418 2.107 40 0 DEABLO CNc1cccc([C@H]2CCCN(C(=O)c3coc(C)n3)C2)[nH+]1 ZINC000072364596 191133201 /nfs/dbraw/zinc/13/32/01/191133201.db2.gz VVYAIXXXZJHUMT-LBPRGKRZSA-N 1 2 300.362 2.440 40 0 DEABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COC)n1 ZINC000072378906 191141058 /nfs/dbraw/zinc/14/10/58/191141058.db2.gz OOGITGADTHYWBT-CQSZACIVSA-N 1 2 314.389 2.140 40 0 DEABLO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000072378574 191140876 /nfs/dbraw/zinc/14/08/76/191140876.db2.gz ZFQVWWJJMHAKSK-HNNXBMFYSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC000072378574 191140878 /nfs/dbraw/zinc/14/08/78/191140878.db2.gz ZFQVWWJJMHAKSK-HNNXBMFYSA-N 1 2 322.372 2.276 40 0 DEABLO Cc1ccccc1OC[C@@]1(O)CCC[N@@H+](Cc2nccn2C)C1 ZINC000585274892 357342197 /nfs/dbraw/zinc/34/21/97/357342197.db2.gz QXUKPUQEOKBRQX-GOSISDBHSA-N 1 2 315.417 2.134 40 0 DEABLO Cc1ccccc1OC[C@@]1(O)CCC[N@H+](Cc2nccn2C)C1 ZINC000585274892 357342205 /nfs/dbraw/zinc/34/22/05/357342205.db2.gz QXUKPUQEOKBRQX-GOSISDBHSA-N 1 2 315.417 2.134 40 0 DEABLO Cc1cc(N2CCC[C@](O)(COc3ccc(F)cc3)C2)nc[nH+]1 ZINC000585274943 357342279 /nfs/dbraw/zinc/34/22/79/357342279.db2.gz SAJLAPSLPTVEON-QGZVFWFLSA-N 1 2 317.364 2.334 40 0 DEABLO CO[C@]1(COc2cccc(C)c2)CC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275151 357342709 /nfs/dbraw/zinc/34/27/09/357342709.db2.gz YLACCJPIVWGTRI-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275151 357342710 /nfs/dbraw/zinc/34/27/10/357342710.db2.gz YLACCJPIVWGTRI-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@@H]1C[N@H+](Cc2ncc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291545 357345964 /nfs/dbraw/zinc/34/59/64/357345964.db2.gz PZXSKNADUFLDGA-LZLYRXPVSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1C[N@@H+](Cc2ncc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291545 357345966 /nfs/dbraw/zinc/34/59/66/357345966.db2.gz PZXSKNADUFLDGA-LZLYRXPVSA-N 1 2 313.401 2.183 40 0 DEABLO CO[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@]12C[C@H](c1ccccc1)CO2 ZINC000585291545 357345970 /nfs/dbraw/zinc/34/59/70/357345970.db2.gz PZXSKNADUFLDGA-LZLYRXPVSA-N 1 2 313.401 2.183 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)[nH+]1 ZINC000257298381 203024413 /nfs/dbraw/zinc/02/44/13/203024413.db2.gz RLKMFOQRTMTMKO-HNNXBMFYSA-N 1 2 319.430 2.428 40 0 DEABLO Clc1ccc(OCCc2cc([C@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000257306344 203031614 /nfs/dbraw/zinc/03/16/14/203031614.db2.gz STXBUBRRGVGLDH-OAHLLOKOSA-N 1 2 307.781 2.346 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000257341450 203063521 /nfs/dbraw/zinc/06/35/21/203063521.db2.gz ZKJDBBVWQLIJHQ-ZDUSSCGKSA-N 1 2 313.357 2.467 40 0 DEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccccn1)C2 ZINC000096111918 193543411 /nfs/dbraw/zinc/54/34/11/193543411.db2.gz IAGCTTZVCBYGOC-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccccn1)C2 ZINC000096111918 193543413 /nfs/dbraw/zinc/54/34/13/193543413.db2.gz IAGCTTZVCBYGOC-HOCLYGCPSA-N 1 2 309.369 2.080 40 0 biogenic,in-vitro DEABLO CC(C)(C)[C@H]1CCc2onc(C(=O)NCCn3cc[nH+]c3)c2C1 ZINC000019082440 182104247 /nfs/dbraw/zinc/10/42/47/182104247.db2.gz UHJXITGJPHNXLS-LBPRGKRZSA-N 1 2 316.405 2.452 40 0 DEABLO CCn1ncc(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)c1C ZINC000019524076 182127985 /nfs/dbraw/zinc/12/79/85/182127985.db2.gz VRTODECJEHQCEF-UHFFFAOYSA-N 1 2 316.390 2.170 40 0 DEABLO CC[NH+](CC)[C@@H](CNC(=O)c1cn[nH]n1)c1ccccc1Cl ZINC000019526302 182128577 /nfs/dbraw/zinc/12/85/77/182128577.db2.gz SFOABWOFPZCNTP-AWEZNQCLSA-N 1 2 321.812 2.271 40 0 DEABLO CC[NH+](CC)[C@@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl ZINC000019526302 182128579 /nfs/dbraw/zinc/12/85/79/182128579.db2.gz SFOABWOFPZCNTP-AWEZNQCLSA-N 1 2 321.812 2.271 40 0 DEABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000022512071 182324450 /nfs/dbraw/zinc/32/44/50/182324450.db2.gz LLWQEXMHAWSLCI-UHFFFAOYSA-N 1 2 313.382 2.351 40 0 DEABLO C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514289721 257215488 /nfs/dbraw/zinc/21/54/88/257215488.db2.gz ZGZVCYQIXWBSGH-QWRGUYRKSA-N 1 2 305.353 2.287 40 0 biogenic,in-vitro DEABLO C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514289721 257215489 /nfs/dbraw/zinc/21/54/89/257215489.db2.gz ZGZVCYQIXWBSGH-QWRGUYRKSA-N 1 2 305.353 2.287 40 0 biogenic,in-vitro DEABLO Fc1ccc(N2CC[NH+](CN3CCSC3=S)CC2)cc1 ZINC000020528699 401824164 /nfs/dbraw/zinc/82/41/64/401824164.db2.gz ZIIPJPDHCDRRMB-UHFFFAOYSA-N 1 2 311.451 2.239 40 0 DEABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc(N)cc(F)c2)CC1 ZINC000044563860 401944870 /nfs/dbraw/zinc/94/48/70/401944870.db2.gz JCLPEMVDCIZCLI-UHFFFAOYSA-N 1 2 309.385 2.461 40 0 DEABLO c1cncc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096041685 402048873 /nfs/dbraw/zinc/04/88/73/402048873.db2.gz BGPXYNIWNDVRSK-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO c1cncc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096041685 402048874 /nfs/dbraw/zinc/04/88/74/402048874.db2.gz BGPXYNIWNDVRSK-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060460 402054723 /nfs/dbraw/zinc/05/47/23/402054723.db2.gz QOPQUSCOQBFQSM-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060460 402054727 /nfs/dbraw/zinc/05/47/27/402054727.db2.gz QOPQUSCOQBFQSM-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO C[C@H]1CN(c2cccc[nH+]2)C[C@@]12CCN(c1cccnc1)C2=O ZINC000096201742 402069055 /nfs/dbraw/zinc/06/90/55/402069055.db2.gz DBGKFDRLGFEOGS-KSSFIOAISA-N 1 2 308.385 2.356 40 0 DEABLO O=C(c1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000096187445 402065953 /nfs/dbraw/zinc/06/59/53/402065953.db2.gz TTXLNKGLFGMEPW-UHFFFAOYSA-N 1 2 310.401 2.204 40 0 DEABLO O=C(c1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000096187445 402065957 /nfs/dbraw/zinc/06/59/57/402065957.db2.gz TTXLNKGLFGMEPW-UHFFFAOYSA-N 1 2 310.401 2.204 40 0 DEABLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2csc(C)n2)C1 ZINC000096188928 402066773 /nfs/dbraw/zinc/06/67/73/402066773.db2.gz QTZWWFOROXILTF-ZDUSSCGKSA-N 1 2 306.435 2.317 40 0 DEABLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2csc(C)n2)C1 ZINC000096188928 402066774 /nfs/dbraw/zinc/06/67/74/402066774.db2.gz QTZWWFOROXILTF-ZDUSSCGKSA-N 1 2 306.435 2.317 40 0 DEABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1cccnc1 ZINC000096201253 402067977 /nfs/dbraw/zinc/06/79/77/402067977.db2.gz RMXGYSPCWXUCRF-AWEZNQCLSA-N 1 2 308.389 2.100 40 0 DEABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096201253 402067979 /nfs/dbraw/zinc/06/79/79/402067979.db2.gz RMXGYSPCWXUCRF-AWEZNQCLSA-N 1 2 308.389 2.100 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798208 402240674 /nfs/dbraw/zinc/24/06/74/402240674.db2.gz ADRNTWROVABNKC-ZFWWWQNUSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798208 402240677 /nfs/dbraw/zinc/24/06/77/402240677.db2.gz ADRNTWROVABNKC-ZFWWWQNUSA-N 1 2 308.809 2.019 40 0 DEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)o1 ZINC000248121198 402582829 /nfs/dbraw/zinc/58/28/29/402582829.db2.gz VHDSLJNSIPZYDD-AWEZNQCLSA-N 1 2 315.373 2.190 40 0 DEABLO c1csc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccn2)CCO3)c1 ZINC000247838068 402576956 /nfs/dbraw/zinc/57/69/56/402576956.db2.gz OCJRPKWXABHXFN-ZDUSSCGKSA-N 1 2 317.414 2.351 40 0 DEABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257214410 402703939 /nfs/dbraw/zinc/70/39/39/402703939.db2.gz CLWINVXPBPDMHU-INIZCTEOSA-N 1 2 321.384 2.181 40 0 DEABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257214410 402703941 /nfs/dbraw/zinc/70/39/41/402703941.db2.gz CLWINVXPBPDMHU-INIZCTEOSA-N 1 2 321.384 2.181 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2ccccc2F)[nH+]1 ZINC000257252153 402708724 /nfs/dbraw/zinc/70/87/24/402708724.db2.gz JTSWVCJMLFXJGI-HNNXBMFYSA-N 1 2 317.364 2.390 40 0 DEABLO CCn1ncc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)c1F ZINC000256051467 402699855 /nfs/dbraw/zinc/69/98/55/402699855.db2.gz JGUKERONGYIQAR-UHFFFAOYSA-N 1 2 305.279 2.091 40 0 DEABLO CCCn1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cn1 ZINC000256051439 402700026 /nfs/dbraw/zinc/70/00/26/402700026.db2.gz JDZDCJBSKWPCHR-UHFFFAOYSA-N 1 2 301.316 2.335 40 0 DEABLO Cc1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268369761 403077587 /nfs/dbraw/zinc/07/75/87/403077587.db2.gz UATVSOONJMUMED-DLBZAZTESA-N 1 2 323.458 2.163 40 0 DEABLO Cc1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268369761 403077589 /nfs/dbraw/zinc/07/75/89/403077589.db2.gz UATVSOONJMUMED-DLBZAZTESA-N 1 2 323.458 2.163 40 0 DEABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000378261276 404910920 /nfs/dbraw/zinc/91/09/20/404910920.db2.gz JOGWIHTXYVCMAP-NSHDSACASA-N 1 2 305.765 2.409 40 0 DEABLO CCNc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329018338 424902705 /nfs/dbraw/zinc/90/27/05/424902705.db2.gz NPTWKOWGNMEHFW-HNNXBMFYSA-N 1 2 300.406 3.004 40 0 DEABLO O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333892049 269001524 /nfs/dbraw/zinc/00/15/24/269001524.db2.gz YIVHMVRSWHUMRZ-IINYFYTJSA-N 1 2 310.344 2.275 40 0 DEABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187895 304585413 /nfs/dbraw/zinc/58/54/13/304585413.db2.gz TTYDXWUMCFTNLD-CQSZACIVSA-N 1 2 315.373 2.175 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257221691 301024332 /nfs/dbraw/zinc/02/43/32/301024332.db2.gz DQCPRIHVYAJGSU-ZDUSSCGKSA-N 1 2 307.300 2.210 40 0 DEABLO c1cc2n(c1)C[C@H](Oc1ncccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000585112513 357335333 /nfs/dbraw/zinc/33/53/33/357335333.db2.gz QMARTCMVGBXSRG-QGZVFWFLSA-N 1 2 321.384 2.137 40 0 DEABLO c1cc2n(c1)C[C@H](Oc1ncccn1)C[N@H+](Cc1cccnc1)C2 ZINC000585112513 357335338 /nfs/dbraw/zinc/33/53/38/357335338.db2.gz QMARTCMVGBXSRG-QGZVFWFLSA-N 1 2 321.384 2.137 40 0 DEABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 ZINC000138910557 283270909 /nfs/dbraw/zinc/27/09/09/283270909.db2.gz DJPAXUPAHIQLHK-VHSXEESVSA-N 1 2 320.798 2.133 40 0 DEABLO CNc1nccnc1[C@@H]1C[N@H+](CCc2ccc(F)cc2)CCO1 ZINC000257276458 203003788 /nfs/dbraw/zinc/00/37/88/203003788.db2.gz NTVCGRLNRDMYOC-HNNXBMFYSA-N 1 2 316.380 2.273 40 0 DEABLO CNc1nccnc1[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CCO1 ZINC000257276458 203003792 /nfs/dbraw/zinc/00/37/92/203003792.db2.gz NTVCGRLNRDMYOC-HNNXBMFYSA-N 1 2 316.380 2.273 40 0 DEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000019340113 182116929 /nfs/dbraw/zinc/11/69/29/182116929.db2.gz SIEPSJCJSVHDFH-UHFFFAOYSA-N 1 2 324.409 2.452 40 0 DEABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000019340113 182116930 /nfs/dbraw/zinc/11/69/30/182116930.db2.gz SIEPSJCJSVHDFH-UHFFFAOYSA-N 1 2 324.409 2.452 40 0 DEABLO CC[NH+](CC)[C@H](CNC(=O)c1cn[nH]n1)c1ccccc1Cl ZINC000019526303 182128658 /nfs/dbraw/zinc/12/86/58/182128658.db2.gz SFOABWOFPZCNTP-CQSZACIVSA-N 1 2 321.812 2.271 40 0 DEABLO CC[NH+](CC)[C@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl ZINC000019526303 182128660 /nfs/dbraw/zinc/12/86/60/182128660.db2.gz SFOABWOFPZCNTP-CQSZACIVSA-N 1 2 321.812 2.271 40 0 DEABLO O=C(CC[NH+]1CCOCC1)c1ccc2c(c1)OCCCCO2 ZINC000019596486 182133071 /nfs/dbraw/zinc/13/30/71/182133071.db2.gz FTBKNYCCQYGXFW-UHFFFAOYSA-N 1 2 305.374 2.143 40 0 DEABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000020462346 182220723 /nfs/dbraw/zinc/22/07/23/182220723.db2.gz RMUHBGUOIIUGSD-UHFFFAOYSA-N 1 2 313.382 2.351 40 0 DEABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096187768 285312808 /nfs/dbraw/zinc/31/28/08/285312808.db2.gz GLGXGTORBWVFRF-CYBMUJFWSA-N 1 2 324.384 2.283 40 0 DEABLO Cc1ccc(C2=NO[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]23)cc1 ZINC000072343264 401709053 /nfs/dbraw/zinc/70/90/53/401709053.db2.gz KCKNPCIQBQAPDZ-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccc(C2=NO[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]23)cc1 ZINC000072343264 401709058 /nfs/dbraw/zinc/70/90/58/401709058.db2.gz KCKNPCIQBQAPDZ-IAGOWNOFSA-N 1 2 308.385 2.328 40 0 DEABLO COc1ccccc1C1(O)CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000012143846 401779774 /nfs/dbraw/zinc/77/97/74/401779774.db2.gz DRLQEVHBTJMSLI-UHFFFAOYSA-N 1 2 315.417 2.221 40 0 DEABLO CC(C)OCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030851378 401866082 /nfs/dbraw/zinc/86/60/82/401866082.db2.gz HIFDRVBIPSIVAG-UHFFFAOYSA-N 1 2 320.433 2.064 40 0 DEABLO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@@H+](C)CC2 ZINC000033695716 401891958 /nfs/dbraw/zinc/89/19/58/401891958.db2.gz KZBRTZBJURNVHM-UHFFFAOYSA-N 1 2 320.370 2.368 40 0 DEABLO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@H+](C)CC2 ZINC000033695716 401891961 /nfs/dbraw/zinc/89/19/61/401891961.db2.gz KZBRTZBJURNVHM-UHFFFAOYSA-N 1 2 320.370 2.368 40 0 DEABLO CCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(C)c21 ZINC000096044816 402049957 /nfs/dbraw/zinc/04/99/57/402049957.db2.gz UVPAIWQLYQRMPF-ZDUSSCGKSA-N 1 2 304.394 2.161 40 0 DEABLO CCOC[C@@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044816 402049958 /nfs/dbraw/zinc/04/99/58/402049958.db2.gz UVPAIWQLYQRMPF-ZDUSSCGKSA-N 1 2 304.394 2.161 40 0 DEABLO CCOC[C@@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044816 402049960 /nfs/dbraw/zinc/04/99/60/402049960.db2.gz UVPAIWQLYQRMPF-ZDUSSCGKSA-N 1 2 304.394 2.161 40 0 DEABLO C[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC000096045426 402050417 /nfs/dbraw/zinc/05/04/17/402050417.db2.gz ZGFNRMUKTXTLHG-KRWDZBQOSA-N 1 2 312.417 2.434 40 0 DEABLO C[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC000096045426 402050419 /nfs/dbraw/zinc/05/04/19/402050419.db2.gz ZGFNRMUKTXTLHG-KRWDZBQOSA-N 1 2 312.417 2.434 40 0 DEABLO c1csc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046114 402050506 /nfs/dbraw/zinc/05/05/06/402050506.db2.gz XFWOWAUDRRFKCJ-IACUBPJLSA-N 1 2 302.403 2.285 40 0 DEABLO c1csc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046114 402050507 /nfs/dbraw/zinc/05/05/07/402050507.db2.gz XFWOWAUDRRFKCJ-IACUBPJLSA-N 1 2 302.403 2.285 40 0 DEABLO Cc1ccc(C(=O)N2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048586 402051234 /nfs/dbraw/zinc/05/12/34/402051234.db2.gz OUKHOWTZQAKBOW-YOEHRIQHSA-N 1 2 315.373 2.421 40 0 DEABLO c1cc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)co1 ZINC000096058840 402054171 /nfs/dbraw/zinc/05/41/71/402054171.db2.gz QLLIYFSAYABUQH-UHFFFAOYSA-N 1 2 302.378 2.204 40 0 DEABLO c1cc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)co1 ZINC000096058840 402054174 /nfs/dbraw/zinc/05/41/74/402054174.db2.gz QLLIYFSAYABUQH-UHFFFAOYSA-N 1 2 302.378 2.204 40 0 DEABLO COC[C@H]1C[N@H+](Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096060883 402054983 /nfs/dbraw/zinc/05/49/83/402054983.db2.gz UTUQQKRFZYCZPV-CQSZACIVSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(CC3CC3)c21 ZINC000096060883 402054985 /nfs/dbraw/zinc/05/49/85/402054985.db2.gz UTUQQKRFZYCZPV-CQSZACIVSA-N 1 2 318.446 2.495 40 0 DEABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000096147156 402062282 /nfs/dbraw/zinc/06/22/82/402062282.db2.gz WTJWCLONJHNUEZ-CZUORRHYSA-N 1 2 304.438 2.129 40 0 DEABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000096147156 402062284 /nfs/dbraw/zinc/06/22/84/402062284.db2.gz WTJWCLONJHNUEZ-CZUORRHYSA-N 1 2 304.438 2.129 40 0 DEABLO CCOC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1scnc1C ZINC000096197753 402067564 /nfs/dbraw/zinc/06/75/64/402067564.db2.gz SLJVLXXJBRWSIU-CYBMUJFWSA-N 1 2 306.435 2.321 40 0 DEABLO CCOC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1scnc1C ZINC000096197753 402067565 /nfs/dbraw/zinc/06/75/65/402067565.db2.gz SLJVLXXJBRWSIU-CYBMUJFWSA-N 1 2 306.435 2.321 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc3ncccc32)[nH+]1 ZINC000257209936 402703802 /nfs/dbraw/zinc/70/38/02/402703802.db2.gz BSMLZGBSJRTBNH-INIZCTEOSA-N 1 2 322.368 2.480 40 0 DEABLO O=C(c1ccncn1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257252121 402708651 /nfs/dbraw/zinc/70/86/51/402708651.db2.gz JTQBTDKMYVEYIM-OAHLLOKOSA-N 1 2 305.341 2.070 40 0 DEABLO COC[C@H]1CN(C(=O)N2CCCC2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060305 293223476 /nfs/dbraw/zinc/22/34/76/293223476.db2.gz VBFRTEPICPOJCI-CQSZACIVSA-N 1 2 318.421 2.055 40 0 DEABLO CCn1nc(C)c(CN2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257243494 333806314 /nfs/dbraw/zinc/80/63/14/333806314.db2.gz IHGRJGARYOGCGO-OAHLLOKOSA-N 1 2 303.410 2.125 40 0 DEABLO CCn1ccnc1C[NH+]1CCC([C@H]2CCCCN(C)C2=O)CC1 ZINC000072372018 191139501 /nfs/dbraw/zinc/13/95/01/191139501.db2.gz JKUXXXRLDMFVJR-MRXNPFEDSA-N 1 2 318.465 2.374 40 0 DEABLO O=C(c1ccncc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378409 191140886 /nfs/dbraw/zinc/14/08/86/191140886.db2.gz RZBRGIBOXYHEGM-OAHLLOKOSA-N 1 2 320.356 2.035 40 0 DEABLO Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387745 191146227 /nfs/dbraw/zinc/14/62/27/191146227.db2.gz QITFNLHSBLKNCU-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(N(C)C)n1 ZINC000072387745 191146228 /nfs/dbraw/zinc/14/62/28/191146228.db2.gz QITFNLHSBLKNCU-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000056797549 354543698 /nfs/dbraw/zinc/54/36/98/354543698.db2.gz PTPHTNKILCWREI-MRXNPFEDSA-N 1 2 316.380 2.439 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccc(Cc3cccc(F)c3)nc2)c1 ZINC000585182371 357339827 /nfs/dbraw/zinc/33/98/27/357339827.db2.gz VHQNGGMCTPGMLO-UHFFFAOYSA-N 1 2 324.359 2.475 40 0 DEABLO CCOc1ncccc1C(=O)N1CCC[C@H]1c1[nH+]c(C)cn1C ZINC000257298713 203024360 /nfs/dbraw/zinc/02/43/60/203024360.db2.gz RMZCDIJSEATVGS-AWEZNQCLSA-N 1 2 314.389 2.500 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccccn1)C2 ZINC000096060112 402054261 /nfs/dbraw/zinc/05/42/61/402054261.db2.gz HNKRWLHXBRIPHT-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccccn1)C2 ZINC000096060112 402054264 /nfs/dbraw/zinc/05/42/64/402054264.db2.gz HNKRWLHXBRIPHT-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1ccco1)C2 ZINC000096060249 402054306 /nfs/dbraw/zinc/05/43/06/402054306.db2.gz NJQABUKTWQRABK-CYBMUJFWSA-N 1 2 315.373 2.179 40 0 DEABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1nccs1 ZINC000096062041 402055710 /nfs/dbraw/zinc/05/57/10/402055710.db2.gz MEYBAMPQPPPSBG-LBPRGKRZSA-N 1 2 314.418 2.161 40 0 DEABLO O=C(c1ccno1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216694 402070447 /nfs/dbraw/zinc/07/04/47/402070447.db2.gz MVCQPSPOJXEESG-KRWDZBQOSA-N 1 2 312.373 2.202 40 0 DEABLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057712333 402096679 /nfs/dbraw/zinc/09/66/79/402096679.db2.gz GQJHHKRUEGDPQC-UHFFFAOYSA-N 1 2 309.841 2.330 40 0 DEABLO O=C1CC[C@H]2[C@H](CCN2c2cccc[nH+]2)N1CC1CCOCC1 ZINC000107205679 402227801 /nfs/dbraw/zinc/22/78/01/402227801.db2.gz MEICKBHOAWZJAV-HOTGVXAUSA-N 1 2 315.417 2.078 40 0 DEABLO COC[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247893126 402577419 /nfs/dbraw/zinc/57/74/19/402577419.db2.gz UDTMGMXKKNTIBO-KRWDZBQOSA-N 1 2 301.390 2.103 40 0 DEABLO COC[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247893126 402577421 /nfs/dbraw/zinc/57/74/21/402577421.db2.gz UDTMGMXKKNTIBO-KRWDZBQOSA-N 1 2 301.390 2.103 40 0 DEABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc[nH+]1 ZINC000257212848 402703960 /nfs/dbraw/zinc/70/39/60/402703960.db2.gz CFFCHLRWDPINLJ-CYBMUJFWSA-N 1 2 300.362 2.440 40 0 DEABLO CC(C)n1cc[nH+]c1CN1CCO[C@H](c2cccc(N)n2)C1 ZINC000257228700 402706479 /nfs/dbraw/zinc/70/64/79/402706479.db2.gz FUWXMMGBKWOCEX-AWEZNQCLSA-N 1 2 301.394 2.015 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257322306 402712080 /nfs/dbraw/zinc/71/20/80/402712080.db2.gz WFKUCGRUZCNSJD-AWEZNQCLSA-N 1 2 323.400 2.314 40 0 DEABLO CC(=O)N1CC[N@@H+](Cc2cnn(C)c2C)[C@@H](c2ccccc2)C1 ZINC000257291997 402712137 /nfs/dbraw/zinc/71/21/37/402712137.db2.gz QJNJYRUBKNMALQ-GOSISDBHSA-N 1 2 312.417 2.134 40 0 DEABLO CC(=O)N1CC[N@H+](Cc2cnn(C)c2C)[C@@H](c2ccccc2)C1 ZINC000257291997 402712138 /nfs/dbraw/zinc/71/21/38/402712138.db2.gz QJNJYRUBKNMALQ-GOSISDBHSA-N 1 2 312.417 2.134 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3ccnc(C)n3)C2)c[nH+]1 ZINC000257207177 402702858 /nfs/dbraw/zinc/70/28/58/402702858.db2.gz BGRAPCKURLDDLL-MRXNPFEDSA-N 1 2 315.421 2.424 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3ccnc(C)n3)C2)[nH+]1 ZINC000257207177 402702860 /nfs/dbraw/zinc/70/28/60/402702860.db2.gz BGRAPCKURLDDLL-MRXNPFEDSA-N 1 2 315.421 2.424 40 0 DEABLO CN(C)c1cc(N2C[C@@H]3[C@@H](Cc4ncccn4)CC[C@@H]3C2)nc[nH+]1 ZINC000257209650 402703127 /nfs/dbraw/zinc/70/31/27/402703127.db2.gz BRIGIGZKYZMVCX-RBSFLKMASA-N 1 2 324.432 2.038 40 0 DEABLO CN(C)c1cc(N2C[C@@H]3[C@@H](Cc4ncccn4)CC[C@@H]3C2)[nH+]cn1 ZINC000257209650 402703129 /nfs/dbraw/zinc/70/31/29/402703129.db2.gz BRIGIGZKYZMVCX-RBSFLKMASA-N 1 2 324.432 2.038 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329065733 404218166 /nfs/dbraw/zinc/21/81/66/404218166.db2.gz XUDKULORRSTEEN-SNVBAGLBSA-N 1 2 318.808 2.388 40 0 DEABLO CCNc1nc(Nc2ccc(OC)c(OC)c2)cc(C2CC2)[nH+]1 ZINC000329008071 404199641 /nfs/dbraw/zinc/19/96/41/404199641.db2.gz LOCZORDMWQVAGS-UHFFFAOYSA-N 1 2 314.389 2.390 40 0 DEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cc(C)n[nH]1)[C@H]2C ZINC000585097008 405865969 /nfs/dbraw/zinc/86/59/69/405865969.db2.gz DNOCJWKQZUTSBI-ZDUSSCGKSA-N 1 2 303.410 2.070 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328969960 424902987 /nfs/dbraw/zinc/90/29/87/424902987.db2.gz DHIVBODFPJTKBA-JTQLQIEISA-N 1 2 300.362 2.596 40 0 DEABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cnco2)c1 ZINC000257339337 278020702 /nfs/dbraw/zinc/02/07/02/278020702.db2.gz ZBHDTAGSFCDVMV-AWEZNQCLSA-N 1 2 324.340 2.277 40 0 DEABLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072366176 279180806 /nfs/dbraw/zinc/18/08/06/279180806.db2.gz GNGMNCYLQIJPIH-GFCCVEGCSA-N 1 2 319.434 2.214 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)N(C)C ZINC000072366176 279180808 /nfs/dbraw/zinc/18/08/08/279180808.db2.gz GNGMNCYLQIJPIH-GFCCVEGCSA-N 1 2 319.434 2.214 40 0 DEABLO CCN(CC)C(=O)C1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000095695958 185383103 /nfs/dbraw/zinc/38/31/03/185383103.db2.gz YQPRODWRSYKFTQ-UHFFFAOYSA-N 1 2 302.418 2.450 40 0 DEABLO CC(C)(C)n1cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)nn1 ZINC000190941512 282328070 /nfs/dbraw/zinc/32/80/70/282328070.db2.gz HZHAQRFLRMAMQU-UHFFFAOYSA-N 1 2 316.405 2.484 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)Cc2ncn(C)c21 ZINC000585110810 357335021 /nfs/dbraw/zinc/33/50/21/357335021.db2.gz JYLOGTXNCBKBDG-HNNXBMFYSA-N 1 2 312.417 2.044 40 0 DEABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)Cc2ncn(C)c21 ZINC000585110810 357335023 /nfs/dbraw/zinc/33/50/23/357335023.db2.gz JYLOGTXNCBKBDG-HNNXBMFYSA-N 1 2 312.417 2.044 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 ZINC000585268956 357339930 /nfs/dbraw/zinc/33/99/30/357339930.db2.gz FOSZQAXKZWDKKI-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@@](CO)(Cc3ccccc3)C2)cn1 ZINC000585268956 357339932 /nfs/dbraw/zinc/33/99/32/357339932.db2.gz FOSZQAXKZWDKKI-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257293324 203020082 /nfs/dbraw/zinc/02/00/82/203020082.db2.gz QOZZPVOWEVWFMQ-CYBMUJFWSA-N 1 2 305.403 2.205 40 0 DEABLO Cc1nc(N2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)cc[nH+]1 ZINC000257337555 203061250 /nfs/dbraw/zinc/06/12/50/203061250.db2.gz YTHFGANKIZCVEU-CYBMUJFWSA-N 1 2 310.361 2.265 40 0 DEABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000328960440 257231053 /nfs/dbraw/zinc/23/10/53/257231053.db2.gz AYANLLFMAXYLLI-CYBMUJFWSA-N 1 2 312.417 2.351 40 0 DEABLO CCc1ncc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000072343305 401709108 /nfs/dbraw/zinc/70/91/08/401709108.db2.gz ABDJZTMBWZEERC-HZPDHXFCSA-N 1 2 308.385 2.274 40 0 DEABLO CCc1ncc(C[N@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000072343305 401709110 /nfs/dbraw/zinc/70/91/10/401709110.db2.gz ABDJZTMBWZEERC-HZPDHXFCSA-N 1 2 308.385 2.274 40 0 DEABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC2CC2)CC1 ZINC000012221691 401781961 /nfs/dbraw/zinc/78/19/61/401781961.db2.gz RZZLEGNHSWLVEY-UHFFFAOYSA-N 1 2 312.417 2.316 40 0 DEABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1cccs1 ZINC000096060545 402054756 /nfs/dbraw/zinc/05/47/56/402054756.db2.gz PDHVXCKWFPEZHL-HNNXBMFYSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1cccs1 ZINC000096060545 402054759 /nfs/dbraw/zinc/05/47/59/402054759.db2.gz PDHVXCKWFPEZHL-HNNXBMFYSA-N 1 2 318.446 2.495 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2F)C1 ZINC000096244912 402073840 /nfs/dbraw/zinc/07/38/40/402073840.db2.gz PIBSHVHNHUARQF-DOMZBBRYSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2F)C1 ZINC000096244912 402073844 /nfs/dbraw/zinc/07/38/44/402073844.db2.gz PIBSHVHNHUARQF-DOMZBBRYSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187927 402065839 /nfs/dbraw/zinc/06/58/39/402065839.db2.gz CHBDOCCVUSGRGW-HNNXBMFYSA-N 1 2 303.406 2.068 40 0 DEABLO c1c(CNc2cccc[nH+]2)nc2n1CCN(Cc1ccccn1)C2 ZINC000096197504 402067240 /nfs/dbraw/zinc/06/72/40/402067240.db2.gz QMJCFSPJLWJVSR-UHFFFAOYSA-N 1 2 320.400 2.301 40 0 DEABLO c1csc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096205976 402068766 /nfs/dbraw/zinc/06/87/66/402068766.db2.gz WOLOYFHMIWZTCD-ZBFHGGJFSA-N 1 2 317.414 2.351 40 0 DEABLO c1csc(C[N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096205976 402068768 /nfs/dbraw/zinc/06/87/68/402068768.db2.gz WOLOYFHMIWZTCD-ZBFHGGJFSA-N 1 2 317.414 2.351 40 0 DEABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 ZINC000107251806 402228836 /nfs/dbraw/zinc/22/88/36/402228836.db2.gz VNKAFTOJVMKQEW-LSDHHAIUSA-N 1 2 314.414 2.226 40 0 DEABLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 ZINC000107251806 402228840 /nfs/dbraw/zinc/22/88/40/402228840.db2.gz VNKAFTOJVMKQEW-LSDHHAIUSA-N 1 2 314.414 2.226 40 0 DEABLO Cc1ccc(C)c(C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1 ZINC000224349875 402314125 /nfs/dbraw/zinc/31/41/25/402314125.db2.gz JQYNQGKODVTCKL-UHFFFAOYSA-N 1 2 313.405 2.478 40 0 DEABLO O=C(c1cnc2n1CC[N@@H+](CC1CCCC1)C2)N1CCCC1 ZINC000247858074 402577010 /nfs/dbraw/zinc/57/70/10/402577010.db2.gz LHGLYSMDRUTSFZ-UHFFFAOYSA-N 1 2 302.422 2.125 40 0 DEABLO O=C(c1cnc2n1CC[N@H+](CC1CCCC1)C2)N1CCCC1 ZINC000247858074 402577013 /nfs/dbraw/zinc/57/70/13/402577013.db2.gz LHGLYSMDRUTSFZ-UHFFFAOYSA-N 1 2 302.422 2.125 40 0 DEABLO CO[C@H]1Cn2nccc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000247891290 402577501 /nfs/dbraw/zinc/57/75/01/402577501.db2.gz TUTJEFLHRZEFQG-QGZVFWFLSA-N 1 2 308.385 2.462 40 0 DEABLO CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000247891290 402577503 /nfs/dbraw/zinc/57/75/03/402577503.db2.gz TUTJEFLHRZEFQG-QGZVFWFLSA-N 1 2 308.385 2.462 40 0 DEABLO CC(C)C[N@@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257240583 402707779 /nfs/dbraw/zinc/70/77/79/402707779.db2.gz HUEQQYDYTXOZHZ-CQSZACIVSA-N 1 2 314.393 2.040 40 0 DEABLO CC(C)C[N@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257240583 402707783 /nfs/dbraw/zinc/70/77/83/402707783.db2.gz HUEQQYDYTXOZHZ-CQSZACIVSA-N 1 2 314.393 2.040 40 0 DEABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)ccn1 ZINC000257247116 402708202 /nfs/dbraw/zinc/70/82/02/402708202.db2.gz IXNUWSGKRDOPPC-OAHLLOKOSA-N 1 2 313.405 2.098 40 0 DEABLO Cc1cc(C)n(CCCC(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257258885 402709237 /nfs/dbraw/zinc/70/92/37/402709237.db2.gz KVXBEOXPVVKNKF-OAHLLOKOSA-N 1 2 315.421 2.328 40 0 DEABLO COc1ccccc1[C@H]1CN(Cc2cc(C)on2)CC[N@@H+]1C ZINC000257267506 402710723 /nfs/dbraw/zinc/71/07/23/402710723.db2.gz MHOVDVVYKOPTIC-MRXNPFEDSA-N 1 2 301.390 2.480 40 0 DEABLO COc1ccccc1[C@H]1CN(Cc2cc(C)on2)CC[N@H+]1C ZINC000257267506 402710726 /nfs/dbraw/zinc/71/07/26/402710726.db2.gz MHOVDVVYKOPTIC-MRXNPFEDSA-N 1 2 301.390 2.480 40 0 DEABLO Cc1ccc(C[N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257269405 402711500 /nfs/dbraw/zinc/71/15/00/402711500.db2.gz MPVHMIOKICSHCQ-AWEZNQCLSA-N 1 2 319.430 2.111 40 0 DEABLO Cc1ccc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257269405 402711502 /nfs/dbraw/zinc/71/15/02/402711502.db2.gz MPVHMIOKICSHCQ-AWEZNQCLSA-N 1 2 319.430 2.111 40 0 DEABLO CCCn1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cn1 ZINC000256054338 402700049 /nfs/dbraw/zinc/70/00/49/402700049.db2.gz VXZXTAHHIRKTTP-UHFFFAOYSA-N 1 2 301.316 2.342 40 0 DEABLO Cc1ccn(CCC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257202828 402702245 /nfs/dbraw/zinc/70/22/45/402702245.db2.gz ANPLRYVGVXWLOW-CQSZACIVSA-N 1 2 301.394 2.019 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257203394 402702267 /nfs/dbraw/zinc/70/22/67/402702267.db2.gz APVFEPBQBQYWCE-AWEZNQCLSA-N 1 2 302.378 2.240 40 0 DEABLO CCCn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(NC)n1 ZINC000257207579 402702979 /nfs/dbraw/zinc/70/29/79/402702979.db2.gz BIJKZXARZFWGBA-CQSZACIVSA-N 1 2 300.410 2.462 40 0 DEABLO CCCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(NC)n1 ZINC000257207578 402702999 /nfs/dbraw/zinc/70/29/99/402702999.db2.gz BIJKZXARZFWGBA-AWEZNQCLSA-N 1 2 300.410 2.462 40 0 DEABLO OCCCNc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329043099 404211658 /nfs/dbraw/zinc/21/16/58/404211658.db2.gz SRJBTDSMEXULLW-UHFFFAOYSA-N 1 2 320.343 2.014 40 0 DEABLO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cc(C)nn2C)C1 ZINC000585095052 405866793 /nfs/dbraw/zinc/86/67/93/405866793.db2.gz BQARQDPXRJOYGN-OAHLLOKOSA-N 1 2 302.422 2.199 40 0 DEABLO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)nn2C)C1 ZINC000585095052 405866803 /nfs/dbraw/zinc/86/68/03/405866803.db2.gz BQARQDPXRJOYGN-OAHLLOKOSA-N 1 2 302.422 2.199 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccc3c2OCCO3)[nH+]1 ZINC000257201218 424889016 /nfs/dbraw/zinc/88/90/16/424889016.db2.gz AGTSFZIRTSATTF-ZDUSSCGKSA-N 1 2 313.357 2.467 40 0 DEABLO CC(C)(C)OC(=O)N1CC2(C1)CO[C@H]1Cc3ccccc3[C@H]1[NH2+]2 ZINC000306145935 278380427 /nfs/dbraw/zinc/38/04/27/278380427.db2.gz WLTFFQNGTIKNTJ-LSDHHAIUSA-N 1 2 316.401 2.262 40 0 DEABLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000332828165 539940897 /nfs/dbraw/zinc/94/08/97/539940897.db2.gz NPYAOPNHKFEYCM-OCCSQVGLSA-N 1 2 306.410 2.256 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585273924 357341217 /nfs/dbraw/zinc/34/12/17/357341217.db2.gz GQLXBDSWBUNANQ-QGZVFWFLSA-N 1 2 301.390 2.042 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585273924 357341220 /nfs/dbraw/zinc/34/12/20/357341220.db2.gz GQLXBDSWBUNANQ-QGZVFWFLSA-N 1 2 301.390 2.042 40 0 DEABLO Cc1ccc(C[C@@]2(CO)C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000585276953 357342038 /nfs/dbraw/zinc/34/20/38/357342038.db2.gz SXAGRHYVFCBBEL-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccc(C[C@@]2(CO)C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000585276953 357342043 /nfs/dbraw/zinc/34/20/43/357342043.db2.gz SXAGRHYVFCBBEL-IBGZPJMESA-N 1 2 312.413 2.196 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257279778 203007880 /nfs/dbraw/zinc/00/78/80/203007880.db2.gz OIDNBRIDFWZBOE-LBPRGKRZSA-N 1 2 317.393 2.173 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257279000 203008943 /nfs/dbraw/zinc/00/89/43/203008943.db2.gz OENVIWZSTAEPCO-OAHLLOKOSA-N 1 2 315.421 2.099 40 0 DEABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257314307 203038248 /nfs/dbraw/zinc/03/82/48/203038248.db2.gz UWILDBQWGZQNAS-INIZCTEOSA-N 1 2 301.390 2.426 40 0 DEABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257314307 203038252 /nfs/dbraw/zinc/03/82/52/203038252.db2.gz UWILDBQWGZQNAS-INIZCTEOSA-N 1 2 301.390 2.426 40 0 DEABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096060838 193513139 /nfs/dbraw/zinc/51/31/39/193513139.db2.gz KKJRAUJZDNPYBC-CQSZACIVSA-N 1 2 316.405 2.052 40 0 DEABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096060838 193513141 /nfs/dbraw/zinc/51/31/41/193513141.db2.gz KKJRAUJZDNPYBC-CQSZACIVSA-N 1 2 316.405 2.052 40 0 DEABLO COCCN1CCN(Cc2nccs2)Cc2ccc(C)[nH+]c21 ZINC000096199024 193576351 /nfs/dbraw/zinc/57/63/51/193576351.db2.gz STKWNLZWFYZYNG-UHFFFAOYSA-N 1 2 318.446 2.315 40 0 DEABLO Cc1[nH+]ccn1CCCNC(=O)c1[nH]nc2c1CCCCCC2 ZINC000019288139 182112721 /nfs/dbraw/zinc/11/27/21/182112721.db2.gz VWMZGWLEOSQTBG-UHFFFAOYSA-N 1 2 315.421 2.394 40 0 DEABLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020490436 182223640 /nfs/dbraw/zinc/22/36/40/182223640.db2.gz XBILIEDRTGYIEA-YXJHDRRASA-N 1 2 314.429 2.437 40 0 DEABLO CCCC[C@]([NH3+])(C(=O)OC)c1cncc(Br)c1 ZINC000022114031 182309161 /nfs/dbraw/zinc/30/91/61/182309161.db2.gz IMJCEDWUDGKTLD-GFCCVEGCSA-N 1 2 301.184 2.361 40 0 DEABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N)cc1 ZINC000072212427 257127006 /nfs/dbraw/zinc/12/70/06/257127006.db2.gz JIVMDAXVZZKBLA-OAHLLOKOSA-N 1 2 317.414 2.498 40 0 DEABLO O=C(C[NH+]1CCC(c2cccnc2)CC1)Nc1nccs1 ZINC000072342143 401709348 /nfs/dbraw/zinc/70/93/48/401709348.db2.gz VEWZJDIMWUSFRA-UHFFFAOYSA-N 1 2 302.403 2.356 40 0 DEABLO O=C(COc1ccccc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130239486 401823753 /nfs/dbraw/zinc/82/37/53/401823753.db2.gz XQCFLCSVNBPEPS-HNNXBMFYSA-N 1 2 311.385 2.246 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060276 402054796 /nfs/dbraw/zinc/05/47/96/402054796.db2.gz WCVBGIMHUOJQCS-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060276 402054797 /nfs/dbraw/zinc/05/47/97/402054797.db2.gz WCVBGIMHUOJQCS-INIZCTEOSA-N 1 2 312.417 2.434 40 0 DEABLO Cc1nnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)s1 ZINC000096216707 402070167 /nfs/dbraw/zinc/07/01/67/402070167.db2.gz RBNOUMBKPLTRIO-CYBMUJFWSA-N 1 2 319.434 2.106 40 0 DEABLO Cc1ccc(C[N@@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)s1 ZINC000096187379 402065882 /nfs/dbraw/zinc/06/58/82/402065882.db2.gz STSGNBNFSGLRCW-UHFFFAOYSA-N 1 2 304.419 2.040 40 0 DEABLO Cc1ccc(C[N@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)s1 ZINC000096187379 402065886 /nfs/dbraw/zinc/06/58/86/402065886.db2.gz STSGNBNFSGLRCW-UHFFFAOYSA-N 1 2 304.419 2.040 40 0 DEABLO Cc1cccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)n1 ZINC000096188550 402066710 /nfs/dbraw/zinc/06/67/10/402066710.db2.gz MYDQOSXHTDZYLS-MRXNPFEDSA-N 1 2 322.416 2.115 40 0 DEABLO Cc1cccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)n1 ZINC000096188550 402066712 /nfs/dbraw/zinc/06/67/12/402066712.db2.gz MYDQOSXHTDZYLS-MRXNPFEDSA-N 1 2 322.416 2.115 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197919 402067486 /nfs/dbraw/zinc/06/74/86/402067486.db2.gz ZFQIILDKANZOCD-HNNXBMFYSA-N 1 2 312.417 2.434 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2c1cnn2CC1CC1 ZINC000096197919 402067487 /nfs/dbraw/zinc/06/74/87/402067487.db2.gz ZFQIILDKANZOCD-HNNXBMFYSA-N 1 2 312.417 2.434 40 0 DEABLO O=C(Cc1ccccn1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198922 402067539 /nfs/dbraw/zinc/06/75/39/402067539.db2.gz MHOWIQBXLCHABP-UHFFFAOYSA-N 1 2 322.412 2.278 40 0 DEABLO COCCN1CC[N@H+](Cc2c(C)noc2C)Cc2cccnc21 ZINC000096198851 402067573 /nfs/dbraw/zinc/06/75/73/402067573.db2.gz HEMVYINSQKPKPU-UHFFFAOYSA-N 1 2 316.405 2.155 40 0 DEABLO COCCN1CC[N@@H+](Cc2c(C)noc2C)Cc2cccnc21 ZINC000096198851 402067576 /nfs/dbraw/zinc/06/75/76/402067576.db2.gz HEMVYINSQKPKPU-UHFFFAOYSA-N 1 2 316.405 2.155 40 0 DEABLO S=C(NCc1ccc2c(c1)OCCO2)Nc1cc[nH+]cc1 ZINC000224049832 402312794 /nfs/dbraw/zinc/31/27/94/402312794.db2.gz APIDBURJFBGREL-UHFFFAOYSA-N 1 2 301.371 2.339 40 0 DEABLO c1coc(C[N@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000247924536 402578122 /nfs/dbraw/zinc/57/81/22/402578122.db2.gz OVDXPQXHVQTEKD-CWRNSKLLSA-N 1 2 315.373 2.128 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000247924536 402578125 /nfs/dbraw/zinc/57/81/25/402578125.db2.gz OVDXPQXHVQTEKD-CWRNSKLLSA-N 1 2 315.373 2.128 40 0 DEABLO CNc1cccc([C@@H]2C[N@H+](Cc3scnc3C)CCO2)n1 ZINC000257230421 402706031 /nfs/dbraw/zinc/70/60/31/402706031.db2.gz GCGBZSIDCWJFRE-ZDUSSCGKSA-N 1 2 304.419 2.462 40 0 DEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3scnc3C)CCO2)n1 ZINC000257230421 402706034 /nfs/dbraw/zinc/70/60/34/402706034.db2.gz GCGBZSIDCWJFRE-ZDUSSCGKSA-N 1 2 304.419 2.462 40 0 DEABLO COc1cccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257233621 402706701 /nfs/dbraw/zinc/70/67/01/402706701.db2.gz GQABONXJMJNTJP-AWEZNQCLSA-N 1 2 321.402 2.253 40 0 DEABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)cc[nH+]1 ZINC000257261290 402710066 /nfs/dbraw/zinc/71/00/66/402710066.db2.gz LGOZEXKTNMOSJO-HNNXBMFYSA-N 1 2 322.372 2.372 40 0 DEABLO CNc1nc(Nc2ccc(OC)c(OC)c2)cc(C2CC2)[nH+]1 ZINC000329044781 404211701 /nfs/dbraw/zinc/21/17/01/404211701.db2.gz SXVMPRVPYQFPBX-UHFFFAOYSA-N 1 2 300.362 2.000 40 0 DEABLO OCCNc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000329067686 404218985 /nfs/dbraw/zinc/21/89/85/404218985.db2.gz YKDLOWZZMTWVMG-UHFFFAOYSA-N 1 2 306.369 2.135 40 0 DEABLO Cn1c[nH+]c2c1C[C@@H](CO)N(Cc1ccc(Cl)c(F)c1)C2 ZINC000585094936 405866377 /nfs/dbraw/zinc/86/63/77/405866377.db2.gz VGMWVCPLLLZXNT-NSHDSACASA-N 1 2 309.772 2.132 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328969961 424903114 /nfs/dbraw/zinc/90/31/14/424903114.db2.gz DHIVBODFPJTKBA-SNVBAGLBSA-N 1 2 300.362 2.596 40 0 DEABLO NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000072366180 191135970 /nfs/dbraw/zinc/13/59/70/191135970.db2.gz GICAGSDHHINSKE-CYBMUJFWSA-N 1 2 304.781 2.499 40 0 DEABLO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000072366180 191135972 /nfs/dbraw/zinc/13/59/72/191135972.db2.gz GICAGSDHHINSKE-CYBMUJFWSA-N 1 2 304.781 2.499 40 0 DEABLO OC[C@@H]1CCn2c[nH+]cc2CN1Cc1ccc(Cl)c(F)c1 ZINC000585098625 357332818 /nfs/dbraw/zinc/33/28/18/357332818.db2.gz ZSUITLAEGSIUTH-LBPRGKRZSA-N 1 2 309.772 2.442 40 0 DEABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585274858 357342444 /nfs/dbraw/zinc/34/24/44/357342444.db2.gz PSLGGUROBCYMCH-KRWDZBQOSA-N 1 2 319.380 2.263 40 0 DEABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585274858 357342449 /nfs/dbraw/zinc/34/24/49/357342449.db2.gz PSLGGUROBCYMCH-KRWDZBQOSA-N 1 2 319.380 2.263 40 0 DEABLO CCOc1cccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1 ZINC000292864115 223280960 /nfs/dbraw/zinc/28/09/60/223280960.db2.gz VRBWRYJDDYUYLQ-UHFFFAOYSA-N 1 2 311.447 2.342 40 0 DEABLO COc1cc(C[NH2+]Cc2ccnn2CC(F)(F)F)ccc1O ZINC000256051978 202923765 /nfs/dbraw/zinc/92/37/65/202923765.db2.gz LJABPIITFJWCFW-UHFFFAOYSA-N 1 2 315.295 2.449 40 0 DEABLO Cc1cn(C)c([C@H]2CCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257273574 203002458 /nfs/dbraw/zinc/00/24/58/203002458.db2.gz NHFYBSHCIWHIPF-ZDUSSCGKSA-N 1 2 317.364 2.263 40 0 DEABLO Nc1nccnc1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257277411 203005316 /nfs/dbraw/zinc/00/53/16/203005316.db2.gz NXVMYAPADQCMNW-MRXNPFEDSA-N 1 2 321.384 2.181 40 0 DEABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257277411 203005321 /nfs/dbraw/zinc/00/53/21/203005321.db2.gz NXVMYAPADQCMNW-MRXNPFEDSA-N 1 2 321.384 2.181 40 0 DEABLO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257304429 203029890 /nfs/dbraw/zinc/02/98/90/203029890.db2.gz SLPVISADNYXEQA-YRGRVCCFSA-N 1 2 305.403 2.138 40 0 DEABLO O=C(CC1CCCC1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257308585 203031654 /nfs/dbraw/zinc/03/16/54/203031654.db2.gz TXHIMIXUXGMGFX-SFHVURJKSA-N 1 2 317.433 2.109 40 0 DEABLO Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)no1 ZINC000257284711 203012620 /nfs/dbraw/zinc/01/26/20/203012620.db2.gz PDXRLGAFNNKNPG-CYBMUJFWSA-N 1 2 300.362 2.119 40 0 DEABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257288691 203016492 /nfs/dbraw/zinc/01/64/92/203016492.db2.gz PVEVRUDUANHZEW-CQSZACIVSA-N 1 2 304.419 2.432 40 0 DEABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257288691 203016496 /nfs/dbraw/zinc/01/64/96/203016496.db2.gz PVEVRUDUANHZEW-CQSZACIVSA-N 1 2 304.419 2.432 40 0 DEABLO O=C(CCc1cccs1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257293741 203019082 /nfs/dbraw/zinc/01/90/82/203019082.db2.gz QQZMEVRINYBVPD-GJZGRUSLSA-N 1 2 319.430 2.102 40 0 DEABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257314308 203038414 /nfs/dbraw/zinc/03/84/14/203038414.db2.gz UWILDBQWGZQNAS-MRXNPFEDSA-N 1 2 301.390 2.426 40 0 DEABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)n1 ZINC000257314308 203038418 /nfs/dbraw/zinc/03/84/18/203038418.db2.gz UWILDBQWGZQNAS-MRXNPFEDSA-N 1 2 301.390 2.426 40 0 DEABLO Cc1cc(N2CCC[C@H]2c2cncc(-c3nccn3C)n2)nc[nH+]1 ZINC000257337557 203060505 /nfs/dbraw/zinc/06/05/05/203060505.db2.gz YTHFVUGFRVSGIX-HNNXBMFYSA-N 1 2 321.388 2.317 40 0 DEABLO COc1cccc(CC(=O)N2CCN(C)c3[nH+]cccc3C2)c1 ZINC000096198801 193575807 /nfs/dbraw/zinc/57/58/07/193575807.db2.gz ZSNNWQMPEQPIOU-UHFFFAOYSA-N 1 2 311.385 2.111 40 0 DEABLO CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCn3cc[nH+]c3)c2C1 ZINC000019082438 182104410 /nfs/dbraw/zinc/10/44/10/182104410.db2.gz UHJXITGJPHNXLS-GFCCVEGCSA-N 1 2 316.405 2.452 40 0 DEABLO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020490438 182223967 /nfs/dbraw/zinc/22/39/67/182223967.db2.gz XBILIEDRTGYIEA-LESCRADOSA-N 1 2 314.429 2.437 40 0 DEABLO Cc1n[nH]c(C[NH+]2CCCCC2)c1I ZINC000038881478 183012205 /nfs/dbraw/zinc/01/22/05/183012205.db2.gz LGXBOTPYCJFGDI-UHFFFAOYSA-N 1 2 305.163 2.309 40 0 DEABLO O=C(NCCCn1cc[nH+]c1)C1(c2ccccc2)CCOCC1 ZINC000075483236 401760565 /nfs/dbraw/zinc/76/05/65/401760565.db2.gz UYNJUKXQMTUVLM-UHFFFAOYSA-N 1 2 313.401 2.138 40 0 DEABLO COCCn1nnnc1[C@@H](c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000019496479 401822504 /nfs/dbraw/zinc/82/25/04/401822504.db2.gz OATLDGDCDDIIFS-TZMCWYRMSA-N 1 2 321.450 2.202 40 0 DEABLO COCCn1nnnc1[C@@H](c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000019496479 401822506 /nfs/dbraw/zinc/82/25/06/401822506.db2.gz OATLDGDCDDIIFS-TZMCWYRMSA-N 1 2 321.450 2.202 40 0 DEABLO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1cccc[nH+]1 ZINC000096038562 402048107 /nfs/dbraw/zinc/04/81/07/402048107.db2.gz ORBFLQCFFQCZBZ-STQMWFEESA-N 1 2 300.387 2.032 40 0 DEABLO COC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096044803 402049590 /nfs/dbraw/zinc/04/95/90/402049590.db2.gz KMABPMNAPHBALD-CQSZACIVSA-N 1 2 303.406 2.383 40 0 DEABLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096042725 402049981 /nfs/dbraw/zinc/04/99/81/402049981.db2.gz DBINXOKOOFOKKE-QJPTWQEYSA-N 1 2 306.391 2.187 40 0 DEABLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096042725 402049983 /nfs/dbraw/zinc/04/99/83/402049983.db2.gz DBINXOKOOFOKKE-QJPTWQEYSA-N 1 2 306.391 2.187 40 0 DEABLO O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073903 402056959 /nfs/dbraw/zinc/05/69/59/402056959.db2.gz BOHSFIKAHTYUKJ-GOEBONIOSA-N 1 2 301.346 2.113 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3F)[C@H]2C1 ZINC000096244911 402073851 /nfs/dbraw/zinc/07/38/51/402073851.db2.gz PIBSHVHNHUARQF-WFASDCNBSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccccc3F)[C@H]2C1 ZINC000096244911 402073854 /nfs/dbraw/zinc/07/38/54/402073854.db2.gz PIBSHVHNHUARQF-WFASDCNBSA-N 1 2 317.389 2.239 40 0 DEABLO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217930 402140347 /nfs/dbraw/zinc/14/03/47/402140347.db2.gz YQQKMVQVOIJPHO-NEPJUHHUSA-N 1 2 318.421 2.420 40 0 DEABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2cccc(F)c2)c[nH+]1 ZINC000224140788 402313565 /nfs/dbraw/zinc/31/35/65/402313565.db2.gz PIQIEWARFUVTOH-UHFFFAOYSA-N 1 2 318.356 2.392 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000247867754 402576968 /nfs/dbraw/zinc/57/69/68/402576968.db2.gz PIBSHVHNHUARQF-SWLSCSKDSA-N 1 2 317.389 2.239 40 0 DEABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000247867754 402576969 /nfs/dbraw/zinc/57/69/69/402576969.db2.gz PIBSHVHNHUARQF-SWLSCSKDSA-N 1 2 317.389 2.239 40 0 DEABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)c3cncnc3)C2)[nH+]1 ZINC000257205537 402703334 /nfs/dbraw/zinc/70/33/34/402703334.db2.gz AZNMIZLXKCAGJC-AWEZNQCLSA-N 1 2 321.384 2.453 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@H](c3cnccn3)C2)c[nH+]1 ZINC000257229263 402706059 /nfs/dbraw/zinc/70/60/59/402706059.db2.gz FXJUMVSFXSGHGT-HNNXBMFYSA-N 1 2 301.394 2.116 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3cnccn3)C2)[nH+]1 ZINC000257229263 402706061 /nfs/dbraw/zinc/70/60/61/402706061.db2.gz FXJUMVSFXSGHGT-HNNXBMFYSA-N 1 2 301.394 2.116 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257230074 402706203 /nfs/dbraw/zinc/70/62/03/402706203.db2.gz GARIGGIYUHMIQD-NSHDSACASA-N 1 2 311.432 2.316 40 0 DEABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)cc[nH+]1 ZINC000257261291 402709826 /nfs/dbraw/zinc/70/98/26/402709826.db2.gz LGOZEXKTNMOSJO-OAHLLOKOSA-N 1 2 322.372 2.372 40 0 DEABLO Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333173820 403685072 /nfs/dbraw/zinc/68/50/72/403685072.db2.gz QMKSBMLBZWAGOU-UHFFFAOYSA-N 1 2 315.421 2.099 40 0 DEABLO Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333173820 403685077 /nfs/dbraw/zinc/68/50/77/403685077.db2.gz QMKSBMLBZWAGOU-UHFFFAOYSA-N 1 2 315.421 2.099 40 0 DEABLO Cn1c[nH+]c2c1C[C@H](CO)N(Cc1ccc(Cl)c(F)c1)C2 ZINC000585094935 405866000 /nfs/dbraw/zinc/86/60/00/405866000.db2.gz VGMWVCPLLLZXNT-LLVKDONJSA-N 1 2 309.772 2.132 40 0 DEABLO CC(C)(C)c1nnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)[nH]c1=O ZINC000004225055 278576058 /nfs/dbraw/zinc/57/60/58/278576058.db2.gz IKUJPWAJJMEAFM-UHFFFAOYSA-N 1 2 307.442 2.184 40 0 DEABLO COc1cc2c(c3c1OCO3)C[N@H+](Cc1ccccc1)C[C@@H]2O ZINC000095470485 185372754 /nfs/dbraw/zinc/37/27/54/185372754.db2.gz UEAHQZJNTGHLSV-HNNXBMFYSA-N 1 2 313.353 2.473 40 0 DEABLO COc1cc2c(c3c1OCO3)C[N@@H+](Cc1ccccc1)C[C@@H]2O ZINC000095470485 185372755 /nfs/dbraw/zinc/37/27/55/185372755.db2.gz UEAHQZJNTGHLSV-HNNXBMFYSA-N 1 2 313.353 2.473 40 0 DEABLO COc1ccc(-c2cnc3n2CC[N@@H+](Cc2cnn(C)c2)C3)cc1 ZINC000306138515 231088904 /nfs/dbraw/zinc/08/89/04/231088904.db2.gz RZIJTBNBALJPAK-UHFFFAOYSA-N 1 2 323.400 2.308 40 0 DEABLO COc1ccc(-c2cnc3n2CC[N@H+](Cc2cnn(C)c2)C3)cc1 ZINC000306138515 231088906 /nfs/dbraw/zinc/08/89/06/231088906.db2.gz RZIJTBNBALJPAK-UHFFFAOYSA-N 1 2 323.400 2.308 40 0 DEABLO O=C(NC[C@H]1CCc2[nH+]cc(-c3ccsc3)n21)[C@@H]1CCOC1 ZINC000306144118 231092123 /nfs/dbraw/zinc/09/21/23/231092123.db2.gz YWMYZAQZDBTEQG-DGCLKSJQSA-N 1 2 317.414 2.252 40 0 DEABLO CNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328955113 529833547 /nfs/dbraw/zinc/83/35/47/529833547.db2.gz AAAOKYSUTJMORM-UHFFFAOYSA-N 1 2 309.348 2.175 40 0 DEABLO CCOc1cc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)ccc1O ZINC000072347439 191128049 /nfs/dbraw/zinc/12/80/49/191128049.db2.gz HQMLGSQZTBMKTB-UHFFFAOYSA-N 1 2 315.373 2.153 40 0 DEABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)ccc1O ZINC000072347439 191128052 /nfs/dbraw/zinc/12/80/52/191128052.db2.gz HQMLGSQZTBMKTB-UHFFFAOYSA-N 1 2 315.373 2.153 40 0 DEABLO Cc1ccc(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000329738527 539928916 /nfs/dbraw/zinc/92/89/16/539928916.db2.gz UJRYJLDSPUBIIB-GJZGRUSLSA-N 1 2 314.389 2.290 40 0 DEABLO Cc1ccc(Cc2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000329738527 539928922 /nfs/dbraw/zinc/92/89/22/539928922.db2.gz UJRYJLDSPUBIIB-GJZGRUSLSA-N 1 2 314.389 2.290 40 0 DEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)c1 ZINC000585102595 357333258 /nfs/dbraw/zinc/33/32/58/357333258.db2.gz BQBOGPISEZQSJA-INIZCTEOSA-N 1 2 311.385 2.147 40 0 DEABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585102942 357334052 /nfs/dbraw/zinc/33/40/52/357334052.db2.gz LRCROEKRNPJQMU-QGZVFWFLSA-N 1 2 302.418 2.489 40 0 DEABLO Cc1ccccc1C[C@]1(CO)C[N@H+](Cc2ccncc2)CCO1 ZINC000585275534 357342782 /nfs/dbraw/zinc/34/27/82/357342782.db2.gz GAXDKAVGHHFQLP-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO Cc1ccccc1C[C@]1(CO)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585275534 357342785 /nfs/dbraw/zinc/34/27/85/357342785.db2.gz GAXDKAVGHHFQLP-LJQANCHMSA-N 1 2 312.413 2.196 40 0 DEABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1ccncc1 ZINC000096201255 291327668 /nfs/dbraw/zinc/32/76/68/291327668.db2.gz MCFDVGXEJZJKOT-AWEZNQCLSA-N 1 2 308.389 2.100 40 0 DEABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096201255 291327672 /nfs/dbraw/zinc/32/76/72/291327672.db2.gz MCFDVGXEJZJKOT-AWEZNQCLSA-N 1 2 308.389 2.100 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccn2C)CC[N@@H+]1C ZINC000257274429 203002495 /nfs/dbraw/zinc/00/24/95/203002495.db2.gz NLAVXLDGIPWXEE-INIZCTEOSA-N 1 2 313.401 2.163 40 0 DEABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccn2C)CC[N@H+]1C ZINC000257274429 203002497 /nfs/dbraw/zinc/00/24/97/203002497.db2.gz NLAVXLDGIPWXEE-INIZCTEOSA-N 1 2 313.401 2.163 40 0 DEABLO CC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000008227260 181537039 /nfs/dbraw/zinc/53/70/39/181537039.db2.gz USFXQXHZKFJCER-UHFFFAOYSA-N 1 2 308.422 2.488 40 0 DEABLO COc1ccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1 ZINC000095533684 257137288 /nfs/dbraw/zinc/13/72/88/257137288.db2.gz BICGAEAJGXVVDK-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1 ZINC000095533684 257137290 /nfs/dbraw/zinc/13/72/90/257137290.db2.gz BICGAEAJGXVVDK-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO COc1ccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1 ZINC000095533684 257137291 /nfs/dbraw/zinc/13/72/91/257137291.db2.gz BICGAEAJGXVVDK-INIZCTEOSA-N 1 2 309.373 2.474 40 0 DEABLO Cc1ccc(Cl)cc1N1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000137103051 292113595 /nfs/dbraw/zinc/11/35/95/292113595.db2.gz CVXBPNFIRICOGM-WDEREUQCSA-N 1 2 316.835 2.302 40 0 DEABLO CCCC[N@@H+]1CC(=O)N2CCC[C@H](c3ccccc3)N2C(=O)C1 ZINC000005707521 401730680 /nfs/dbraw/zinc/73/06/80/401730680.db2.gz CZSCRBPDWANYEH-MRXNPFEDSA-N 1 2 315.417 2.209 40 0 DEABLO CCCC[N@H+]1CC(=O)N2CCC[C@H](c3ccccc3)N2C(=O)C1 ZINC000005707521 401730682 /nfs/dbraw/zinc/73/06/82/401730682.db2.gz CZSCRBPDWANYEH-MRXNPFEDSA-N 1 2 315.417 2.209 40 0 DEABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1[nH+]ccn1C ZINC000012221545 401781865 /nfs/dbraw/zinc/78/18/65/401781865.db2.gz PSJULNGGCUTXCE-GXTWGEPZSA-N 1 2 308.389 2.033 40 0 DEABLO C[C@H]1CCCC[N@@H+]1CN1C(=S)SC2=NC(=O)CCCN21 ZINC000023153912 401827667 /nfs/dbraw/zinc/82/76/67/401827667.db2.gz SLDGIUCEYJFLOO-JTQLQIEISA-N 1 2 312.464 2.045 40 0 DEABLO C[C@H]1CCCC[N@H+]1CN1C(=S)SC2=NC(=O)CCCN21 ZINC000023153912 401827670 /nfs/dbraw/zinc/82/76/70/401827670.db2.gz SLDGIUCEYJFLOO-JTQLQIEISA-N 1 2 312.464 2.045 40 0 DEABLO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+](Cc1ccco1)CC2 ZINC000096187406 402066326 /nfs/dbraw/zinc/06/63/26/402066326.db2.gz TWKBYNUTLXSUDU-GFCCVEGCSA-N 1 2 314.389 2.186 40 0 DEABLO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096187406 402066329 /nfs/dbraw/zinc/06/63/29/402066329.db2.gz TWKBYNUTLXSUDU-GFCCVEGCSA-N 1 2 314.389 2.186 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000107798206 402240868 /nfs/dbraw/zinc/24/08/68/402240868.db2.gz ADRNTWROVABNKC-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO COCCC(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000107798206 402240872 /nfs/dbraw/zinc/24/08/72/402240872.db2.gz ADRNTWROVABNKC-HIFRSBDPSA-N 1 2 308.809 2.019 40 0 DEABLO COc1c2c(cc3c1C[N@H+](Cc1ccccc1)C[C@@H]3O)OCO2 ZINC000095470444 286188640 /nfs/dbraw/zinc/18/86/40/286188640.db2.gz XWOIXVFLYTXVRQ-HNNXBMFYSA-N 1 2 313.353 2.473 40 0 DEABLO COc1c2c(cc3c1C[N@@H+](Cc1ccccc1)C[C@@H]3O)OCO2 ZINC000095470444 286188641 /nfs/dbraw/zinc/18/86/41/286188641.db2.gz XWOIXVFLYTXVRQ-HNNXBMFYSA-N 1 2 313.353 2.473 40 0 DEABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]1c1cnccn1 ZINC000257218735 402704311 /nfs/dbraw/zinc/70/43/11/402704311.db2.gz DEGLQHVMWADTSQ-OAHLLOKOSA-N 1 2 321.384 2.339 40 0 DEABLO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H]3c3ccncn3)c2n1 ZINC000257224661 402705811 /nfs/dbraw/zinc/70/58/11/402705811.db2.gz FCUBCWBTJKZFHT-INIZCTEOSA-N 1 2 308.389 2.473 40 0 DEABLO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H]3c3ccncn3)c2n1 ZINC000257224661 402705812 /nfs/dbraw/zinc/70/58/12/402705812.db2.gz FCUBCWBTJKZFHT-INIZCTEOSA-N 1 2 308.389 2.473 40 0 DEABLO Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257229672 402706461 /nfs/dbraw/zinc/70/64/61/402706461.db2.gz FZBLCZRBZOLJSU-CQSZACIVSA-N 1 2 315.421 2.444 40 0 DEABLO CC(=O)N1CC[N@@H+](Cc2cnn(C)c2C)[C@H](c2ccccc2)C1 ZINC000257291998 402712190 /nfs/dbraw/zinc/71/21/90/402712190.db2.gz QJNJYRUBKNMALQ-SFHVURJKSA-N 1 2 312.417 2.134 40 0 DEABLO CC(=O)N1CC[N@H+](Cc2cnn(C)c2C)[C@H](c2ccccc2)C1 ZINC000257291998 402712191 /nfs/dbraw/zinc/71/21/91/402712191.db2.gz QJNJYRUBKNMALQ-SFHVURJKSA-N 1 2 312.417 2.134 40 0 DEABLO CCNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc[nH+]1 ZINC000321113478 404073808 /nfs/dbraw/zinc/07/38/08/404073808.db2.gz GLESTNOSHFOMHE-UHFFFAOYSA-N 1 2 314.389 2.488 40 0 DEABLO CCNc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]cn1 ZINC000321113478 404073813 /nfs/dbraw/zinc/07/38/13/404073813.db2.gz GLESTNOSHFOMHE-UHFFFAOYSA-N 1 2 314.389 2.488 40 0 DEABLO Cc1cc(C)nc(N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)n1 ZINC000257257472 274693877 /nfs/dbraw/zinc/69/38/77/274693877.db2.gz KPRYGOUVYOVARI-OAHLLOKOSA-N 1 2 321.388 2.411 40 0 DEABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1 ZINC000015707166 277108280 /nfs/dbraw/zinc/10/82/80/277108280.db2.gz WLSQXDXTPURZTB-HNNXBMFYSA-N 1 2 311.341 2.256 40 0 biogenic,in-vitro DEABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015707166 277108281 /nfs/dbraw/zinc/10/82/81/277108281.db2.gz WLSQXDXTPURZTB-HNNXBMFYSA-N 1 2 311.341 2.256 40 0 biogenic,in-vitro DEABLO CC(=O)Nc1nc(C2CC[NH+](Cc3nccn3C)CC2)cs1 ZINC000072368073 191137735 /nfs/dbraw/zinc/13/77/35/191137735.db2.gz OKDIEBSUVPRABQ-UHFFFAOYSA-N 1 2 319.434 2.215 40 0 DEABLO c1cn(-c2cccc([C@@H]3CCCN(c4ncccn4)C3)n2)c[nH+]1 ZINC000072378784 191140517 /nfs/dbraw/zinc/14/05/17/191140517.db2.gz MYJZYGGGQUDYSG-CQSZACIVSA-N 1 2 306.373 2.441 40 0 DEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cc(C)nn1C)[C@H]2C ZINC000585098472 357333308 /nfs/dbraw/zinc/33/33/08/357333308.db2.gz TYLQPWMNCISVLO-AWEZNQCLSA-N 1 2 317.437 2.081 40 0 DEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 ZINC000585110887 357335726 /nfs/dbraw/zinc/33/57/26/357335726.db2.gz UWURSLWODIVNGM-INIZCTEOSA-N 1 2 324.428 2.060 40 0 DEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 ZINC000585110887 357335730 /nfs/dbraw/zinc/33/57/30/357335730.db2.gz UWURSLWODIVNGM-INIZCTEOSA-N 1 2 324.428 2.060 40 0 DEABLO O=C(c1cncnc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257205912 202942018 /nfs/dbraw/zinc/94/20/18/202942018.db2.gz BBBANFQWITZAGW-UHFFFAOYSA-N 1 2 307.357 2.144 40 0 DEABLO Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257273140 203002887 /nfs/dbraw/zinc/00/28/87/203002887.db2.gz NFKXTIVQCGXHDZ-YRGRVCCFSA-N 1 2 305.403 2.090 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc(C)s2)[nH+]1 ZINC000257304649 203030179 /nfs/dbraw/zinc/03/01/79/203030179.db2.gz SMMVUPWKXXQZFR-CYBMUJFWSA-N 1 2 305.403 2.231 40 0 DEABLO CO[C@@H]1CC[C@H]2N(C(=O)CCCn3cc[nH+]c3)CC[C@@]2(C)C1 ZINC000257324078 203048417 /nfs/dbraw/zinc/04/84/17/203048417.db2.gz WNBFFJAZBHTEFW-INMHGKMJSA-N 1 2 305.422 2.469 40 0 DEABLO O=C(C[NH+]1CCCCCC1)Nc1nc2c(s1)C(=O)CCC2 ZINC000016740512 182059602 /nfs/dbraw/zinc/05/96/02/182059602.db2.gz XJCMFCQNXXHXJF-UHFFFAOYSA-N 1 2 307.419 2.477 40 0 DEABLO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C[NH+]1CCOCC1 ZINC000019690878 182136294 /nfs/dbraw/zinc/13/62/94/182136294.db2.gz PUEFZZSHNBASLG-CQSZACIVSA-N 1 2 307.781 2.011 40 0 DEABLO CNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc[nH+]1 ZINC000316260482 533052968 /nfs/dbraw/zinc/05/29/68/533052968.db2.gz SJMVJDKPBZUBBW-UHFFFAOYSA-N 1 2 300.362 2.098 40 0 DEABLO CNc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]cn1 ZINC000316260482 533052973 /nfs/dbraw/zinc/05/29/73/533052973.db2.gz SJMVJDKPBZUBBW-UHFFFAOYSA-N 1 2 300.362 2.098 40 0 DEABLO CCOc1ccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OC ZINC000095534306 257136926 /nfs/dbraw/zinc/13/69/26/257136926.db2.gz QEHRKXJZKSVQSV-JSGCOSHPSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130409471 401830695 /nfs/dbraw/zinc/83/06/95/401830695.db2.gz NFBADFZUBMRCAB-AWEZNQCLSA-N 1 2 314.389 2.014 40 0 DEABLO NC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030946004 401866964 /nfs/dbraw/zinc/86/69/64/401866964.db2.gz KKZNGCCHYODABF-UHFFFAOYSA-N 1 2 320.352 2.283 40 0 DEABLO O=C(c1n[nH]c2c1CC[N@H+](Cc1cccs1)C2)N1CCCC1 ZINC000096058577 402054036 /nfs/dbraw/zinc/05/40/36/402054036.db2.gz OWWUAQUOTYQYKR-UHFFFAOYSA-N 1 2 316.430 2.266 40 0 DEABLO O=C(c1n[nH]c2c1CC[N@@H+](Cc1cccs1)C2)N1CCCC1 ZINC000096058577 402054039 /nfs/dbraw/zinc/05/40/39/402054039.db2.gz OWWUAQUOTYQYKR-UHFFFAOYSA-N 1 2 316.430 2.266 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096060878 402054947 /nfs/dbraw/zinc/05/49/47/402054947.db2.gz QFWSVXFRFZIDLD-ZDUSSCGKSA-N 1 2 318.446 2.495 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2nnn(CC3CC3)c21 ZINC000096060878 402054949 /nfs/dbraw/zinc/05/49/49/402054949.db2.gz QFWSVXFRFZIDLD-ZDUSSCGKSA-N 1 2 318.446 2.495 40 0 DEABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252832 402074494 /nfs/dbraw/zinc/07/44/94/402074494.db2.gz OYYLDENUMDZKJJ-QLFBSQMISA-N 1 2 308.809 2.018 40 0 DEABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252832 402074495 /nfs/dbraw/zinc/07/44/95/402074495.db2.gz OYYLDENUMDZKJJ-QLFBSQMISA-N 1 2 308.809 2.018 40 0 DEABLO O=C(NCc1cncc2c1CC[N@H+](Cc1ccoc1)C2)C1CC1 ZINC000096189490 402066841 /nfs/dbraw/zinc/06/68/41/402066841.db2.gz HZSLQFRJSQTZEN-UHFFFAOYSA-N 1 2 311.385 2.259 40 0 DEABLO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccoc1)C2)C1CC1 ZINC000096189490 402066843 /nfs/dbraw/zinc/06/68/43/402066843.db2.gz HZSLQFRJSQTZEN-UHFFFAOYSA-N 1 2 311.385 2.259 40 0 DEABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2ncccn2)CCO3)o1 ZINC000248096665 402582224 /nfs/dbraw/zinc/58/22/24/402582224.db2.gz MQBHWXMCVSWIFD-CQSZACIVSA-N 1 2 315.373 2.190 40 0 DEABLO c1ccc(C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)nc1 ZINC000248120268 402582591 /nfs/dbraw/zinc/58/25/91/402582591.db2.gz UYWVYHFUWPCIFZ-HNNXBMFYSA-N 1 2 311.385 2.147 40 0 DEABLO Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257207804 402703354 /nfs/dbraw/zinc/70/33/54/402703354.db2.gz BJIUTLNVQDYGIX-HNNXBMFYSA-N 1 2 315.421 2.176 40 0 DEABLO Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257207804 402703355 /nfs/dbraw/zinc/70/33/55/402703355.db2.gz BJIUTLNVQDYGIX-HNNXBMFYSA-N 1 2 315.421 2.176 40 0 DEABLO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH]ncc2C)C1 ZINC000257231962 402706161 /nfs/dbraw/zinc/70/61/61/402706161.db2.gz GIVMAGLODBWINU-AWEZNQCLSA-N 1 2 315.421 2.273 40 0 DEABLO CCn1nc(C)c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1F ZINC000256050178 402699977 /nfs/dbraw/zinc/69/99/77/402699977.db2.gz DBGIZHYPLVVADG-UHFFFAOYSA-N 1 2 319.306 2.393 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328993187 404193938 /nfs/dbraw/zinc/19/39/38/404193938.db2.gz IZSPYRZLABQQII-VIFPVBQESA-N 1 2 320.343 2.012 40 0 DEABLO COCCN1CCN(C(=O)c2cccs2)Cc2ccc[nH+]c21 ZINC000096198862 292538239 /nfs/dbraw/zinc/53/82/39/292538239.db2.gz JENGQOGRMMJXAS-UHFFFAOYSA-N 1 2 317.414 2.252 40 0 DEABLO Cc1noc(C)c1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130774734 196109182 /nfs/dbraw/zinc/10/91/82/196109182.db2.gz ZNMJGANJNSWTLG-ZDUSSCGKSA-N 1 2 300.362 2.085 40 0 DEABLO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)s1 ZINC000072383068 191142042 /nfs/dbraw/zinc/14/20/42/191142042.db2.gz BUACKRAFWVHEKY-LBPRGKRZSA-N 1 2 317.418 2.212 40 0 DEABLO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)s1 ZINC000072383068 191142043 /nfs/dbraw/zinc/14/20/43/191142043.db2.gz BUACKRAFWVHEKY-LBPRGKRZSA-N 1 2 317.418 2.212 40 0 DEABLO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCCC[C@H]1C)OCO2 ZINC000004355728 181102071 /nfs/dbraw/zinc/10/20/71/181102071.db2.gz LULPXNLMGSBWQQ-LLVKDONJSA-N 1 2 318.373 2.431 40 0 DEABLO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+]1CCCC[C@H]1C)OCO2 ZINC000004355728 181102073 /nfs/dbraw/zinc/10/20/73/181102073.db2.gz LULPXNLMGSBWQQ-LLVKDONJSA-N 1 2 318.373 2.431 40 0 DEABLO CCCO[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000067360308 354759143 /nfs/dbraw/zinc/75/91/43/354759143.db2.gz RMISZZUZXZISLI-HNNXBMFYSA-N 1 2 314.389 2.299 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@@](O)(COc3ccccc3C)C2)no1 ZINC000585274770 357341244 /nfs/dbraw/zinc/34/12/44/357341244.db2.gz NKQIAARQZKFZMN-KRWDZBQOSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@@](O)(COc3ccccc3C)C2)no1 ZINC000585274770 357341246 /nfs/dbraw/zinc/34/12/46/357341246.db2.gz NKQIAARQZKFZMN-KRWDZBQOSA-N 1 2 302.374 2.307 40 0 DEABLO COc1ccc([C@H]2C[N@H+](Cc3cnc(C)nc3)CCN2C)cc1 ZINC000257278451 203006428 /nfs/dbraw/zinc/00/64/28/203006428.db2.gz OCIOEBJQGCYQDC-GOSISDBHSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccc([C@H]2C[N@@H+](Cc3cnc(C)nc3)CCN2C)cc1 ZINC000257278451 203006431 /nfs/dbraw/zinc/00/64/31/203006431.db2.gz OCIOEBJQGCYQDC-GOSISDBHSA-N 1 2 312.417 2.282 40 0 DEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H]1c1cnccn1 ZINC000257313848 203037682 /nfs/dbraw/zinc/03/76/82/203037682.db2.gz UUJKPCXUTSNJNA-OAHLLOKOSA-N 1 2 320.356 2.035 40 0 DEABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1c1cnccn1 ZINC000257313847 203038285 /nfs/dbraw/zinc/03/82/85/203038285.db2.gz UUJKPCXUTSNJNA-HNNXBMFYSA-N 1 2 320.356 2.035 40 0 DEABLO Cc1cccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]23)c1 ZINC000072343236 401708863 /nfs/dbraw/zinc/70/88/63/401708863.db2.gz GFCHDOVTJUTZFO-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1cccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]23)c1 ZINC000072343236 401708865 /nfs/dbraw/zinc/70/88/65/401708865.db2.gz GFCHDOVTJUTZFO-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)C1=CCCC1)C2 ZINC000096044945 402049627 /nfs/dbraw/zinc/04/96/27/402049627.db2.gz UGBKZHISQYSKBF-OAHLLOKOSA-N 1 2 315.417 2.383 40 0 DEABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)n1 ZINC000096042734 402049745 /nfs/dbraw/zinc/04/97/45/402049745.db2.gz SIMPIVTZHFAGNK-YNEHKIRRSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)n1 ZINC000096042734 402049748 /nfs/dbraw/zinc/04/97/48/402049748.db2.gz SIMPIVTZHFAGNK-YNEHKIRRSA-N 1 2 320.418 2.495 40 0 DEABLO Cc1occc1C(=O)N1CCC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096048570 402051286 /nfs/dbraw/zinc/05/12/86/402051286.db2.gz DYCOFRSDVSPMDT-YOEHRIQHSA-N 1 2 315.373 2.421 40 0 DEABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060365 402054880 /nfs/dbraw/zinc/05/48/80/402054880.db2.gz BLBLWEBVWZPATI-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060365 402054884 /nfs/dbraw/zinc/05/48/84/402054884.db2.gz BLBLWEBVWZPATI-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1nccs1 ZINC000096062040 402055573 /nfs/dbraw/zinc/05/55/73/402055573.db2.gz MEYBAMPQPPPSBG-GFCCVEGCSA-N 1 2 314.418 2.161 40 0 DEABLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC000096184567 402065492 /nfs/dbraw/zinc/06/54/92/402065492.db2.gz VKPUMTRMFRKQRI-NEPJUHHUSA-N 1 2 320.443 2.089 40 0 DEABLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC000096184567 402065494 /nfs/dbraw/zinc/06/54/94/402065494.db2.gz VKPUMTRMFRKQRI-NEPJUHHUSA-N 1 2 320.443 2.089 40 0 DEABLO CCOC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1scnc1C ZINC000096197754 402067353 /nfs/dbraw/zinc/06/73/53/402067353.db2.gz SLJVLXXJBRWSIU-ZDUSSCGKSA-N 1 2 306.435 2.321 40 0 DEABLO CCOC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1scnc1C ZINC000096197754 402067354 /nfs/dbraw/zinc/06/73/54/402067354.db2.gz SLJVLXXJBRWSIU-ZDUSSCGKSA-N 1 2 306.435 2.321 40 0 DEABLO c1c[nH+]c(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)[nH]1 ZINC000067898630 402178152 /nfs/dbraw/zinc/17/81/52/402178152.db2.gz IQJXFFOPZZBBLS-HNNXBMFYSA-N 1 2 309.373 2.373 40 0 biogenic,in-vitro DEABLO CC[NH+]1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 ZINC000225781306 402323667 /nfs/dbraw/zinc/32/36/67/402323667.db2.gz ZPFSJFCOWLGRTO-UHFFFAOYSA-N 1 2 320.393 2.122 40 0 DEABLO CC[NH+]1CCN(C(=O)c2snnc2-c2ccc(C)cc2)CC1 ZINC000225776144 402323955 /nfs/dbraw/zinc/32/39/55/402323955.db2.gz BREKEFJCDJZZBD-UHFFFAOYSA-N 1 2 316.430 2.291 40 0 DEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC2CC2)CS3)nc[nH+]1 ZINC000248131742 402583435 /nfs/dbraw/zinc/58/34/35/402583435.db2.gz QMMLXSJNWNSNLC-CYBMUJFWSA-N 1 2 320.462 2.034 40 0 DEABLO CN(C)c1cc(N2CC3(C2)C[C@@H](OCC2CC2)CS3)[nH+]cn1 ZINC000248131742 402583436 /nfs/dbraw/zinc/58/34/36/402583436.db2.gz QMMLXSJNWNSNLC-CYBMUJFWSA-N 1 2 320.462 2.034 40 0 DEABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)c3cncnc3)C2)[nH+]1 ZINC000257205538 402703386 /nfs/dbraw/zinc/70/33/86/402703386.db2.gz AZNMIZLXKCAGJC-CQSZACIVSA-N 1 2 321.384 2.453 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257215096 402703649 /nfs/dbraw/zinc/70/36/49/402703649.db2.gz CORHCPQCYASBJK-ZDUSSCGKSA-N 1 2 309.373 2.304 40 0 DEABLO Cc1cc2nc([C@H]3CCCC[N@@H+]3C3CCOCC3)cc(=O)n2[nH]1 ZINC000257227729 402705444 /nfs/dbraw/zinc/70/54/44/402705444.db2.gz FQQAEIUDHNYLDI-OAHLLOKOSA-N 1 2 316.405 2.449 40 0 DEABLO Cc1cc2nc([C@H]3CCCC[N@H+]3C3CCOCC3)cc(=O)n2[nH]1 ZINC000257227729 402705447 /nfs/dbraw/zinc/70/54/47/402705447.db2.gz FQQAEIUDHNYLDI-OAHLLOKOSA-N 1 2 316.405 2.449 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCOc2ccccc2)[nH+]1 ZINC000257259679 402710204 /nfs/dbraw/zinc/71/02/04/402710204.db2.gz KZMLYMLIQXBULR-HNNXBMFYSA-N 1 2 315.373 2.087 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@H](c3cnc(C)cn3)C2)c[nH+]1 ZINC000257266146 402710788 /nfs/dbraw/zinc/71/07/88/402710788.db2.gz MBTRHVWEFFKQBZ-INIZCTEOSA-N 1 2 315.421 2.424 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3cnc(C)cn3)C2)[nH+]1 ZINC000257266146 402710792 /nfs/dbraw/zinc/71/07/92/402710792.db2.gz MBTRHVWEFFKQBZ-INIZCTEOSA-N 1 2 315.421 2.424 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)[nH+]1 ZINC000257281404 402711596 /nfs/dbraw/zinc/71/15/96/402711596.db2.gz OPAHPMPXTVUYIZ-CYBMUJFWSA-N 1 2 324.388 2.020 40 0 DEABLO CC[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364158 402713303 /nfs/dbraw/zinc/71/33/03/402713303.db2.gz JOUDNIAKRJNPMN-GFCCVEGCSA-O 1 2 317.394 2.134 40 0 DEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)c1cnco1 ZINC000257208331 402703304 /nfs/dbraw/zinc/70/33/04/402703304.db2.gz BLSKSWCSYMBAKU-ZDUSSCGKSA-N 1 2 324.340 2.277 40 0 DEABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328968525 404183619 /nfs/dbraw/zinc/18/36/19/404183619.db2.gz DALPUJZZXAIVJC-UHFFFAOYSA-N 1 2 318.808 2.307 40 0 DEABLO CNc1nc(Nc2ccc(OC)cc2OC)cc(C2CC2)[nH+]1 ZINC000329031824 404208877 /nfs/dbraw/zinc/20/88/77/404208877.db2.gz QLVUAOMLDPPRGG-UHFFFAOYSA-N 1 2 300.362 2.000 40 0 DEABLO Cc1nc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000131083008 196138976 /nfs/dbraw/zinc/13/89/76/196138976.db2.gz HBPONPHAYFCEPG-CYBMUJFWSA-N 1 2 316.430 2.174 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCO[C@@H](c2nccnc2N(C)C)C1 ZINC000257199827 424888710 /nfs/dbraw/zinc/88/87/10/424888710.db2.gz AAYMEXGLRKYYKN-CYBMUJFWSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ccsc1C[N@H+]1CCO[C@@H](c2nccnc2N(C)C)C1 ZINC000257199827 424888712 /nfs/dbraw/zinc/88/87/12/424888712.db2.gz AAYMEXGLRKYYKN-CYBMUJFWSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)[nH+]1 ZINC000257201217 424888845 /nfs/dbraw/zinc/88/88/45/424888845.db2.gz AGTSFZIRTSATTF-CYBMUJFWSA-N 1 2 313.357 2.467 40 0 DEABLO CCNc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329018339 424902928 /nfs/dbraw/zinc/90/29/28/424902928.db2.gz NPTWKOWGNMEHFW-OAHLLOKOSA-N 1 2 300.406 3.004 40 0 DEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000012154524 280385277 /nfs/dbraw/zinc/38/52/77/280385277.db2.gz TVYKFFLXJMPOQR-UHFFFAOYSA-N 1 2 318.380 2.390 40 0 DEABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000012154524 280385278 /nfs/dbraw/zinc/38/52/78/280385278.db2.gz TVYKFFLXJMPOQR-UHFFFAOYSA-N 1 2 318.380 2.390 40 0 DEABLO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCCCO1 ZINC000332828169 539940691 /nfs/dbraw/zinc/94/06/91/539940691.db2.gz NPYAOPNHKFEYCM-TZMCWYRMSA-N 1 2 306.410 2.256 40 0 DEABLO Cc1ccc(Cl)cc1N1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000137103012 355868663 /nfs/dbraw/zinc/86/86/63/355868663.db2.gz CVXBPNFIRICOGM-GHMZBOCLSA-N 1 2 316.835 2.302 40 0 DEABLO Cc1cc(N2CCC[C@@](O)(COc3ccc(F)cc3)C2)nc[nH+]1 ZINC000585274942 357342426 /nfs/dbraw/zinc/34/24/26/357342426.db2.gz SAJLAPSLPTVEON-KRWDZBQOSA-N 1 2 317.364 2.334 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC000257300778 203024980 /nfs/dbraw/zinc/02/49/80/203024980.db2.gz RVQMQTCEZDYMBW-HNNXBMFYSA-N 1 2 319.430 2.459 40 0 DEABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(C)s2)[nH+]1 ZINC000257304650 203030277 /nfs/dbraw/zinc/03/02/77/203030277.db2.gz SMMVUPWKXXQZFR-ZDUSSCGKSA-N 1 2 305.403 2.231 40 0 DEABLO Cc1nc(N2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)cc[nH+]1 ZINC000257311073 203037504 /nfs/dbraw/zinc/03/75/04/203037504.db2.gz UHUYIEADHRONJW-CYBMUJFWSA-N 1 2 310.361 2.265 40 0 DEABLO CCc1noc(CCC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257320530 203044392 /nfs/dbraw/zinc/04/43/92/203044392.db2.gz VXFGTPXOUODYDS-LBPRGKRZSA-N 1 2 317.393 2.002 40 0 DEABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257328499 203050481 /nfs/dbraw/zinc/05/04/81/203050481.db2.gz XFWMSGCMUVQEKF-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 ZINC000257328499 203050484 /nfs/dbraw/zinc/05/04/84/203050484.db2.gz XFWMSGCMUVQEKF-KRWDZBQOSA-N 1 2 312.417 2.425 40 0 DEABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015707135 182013080 /nfs/dbraw/zinc/01/30/80/182013080.db2.gz RAKDDHKOOXBZIE-AWEZNQCLSA-N 1 2 305.765 2.163 40 0 biogenic,in-vitro DEABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015707135 182013081 /nfs/dbraw/zinc/01/30/81/182013081.db2.gz RAKDDHKOOXBZIE-AWEZNQCLSA-N 1 2 305.765 2.163 40 0 biogenic,in-vitro DEABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2c(=O)c1C ZINC000012222895 401781856 /nfs/dbraw/zinc/78/18/56/401781856.db2.gz GNHKREWISPMGCX-OAHLLOKOSA-N 1 2 323.400 2.436 40 0 DEABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2c(=O)c1C ZINC000012222895 401781858 /nfs/dbraw/zinc/78/18/58/401781858.db2.gz GNHKREWISPMGCX-OAHLLOKOSA-N 1 2 323.400 2.436 40 0 DEABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1[nH+]ccn1C ZINC000012221546 401782011 /nfs/dbraw/zinc/78/20/11/401782011.db2.gz PSJULNGGCUTXCE-OCCSQVGLSA-N 1 2 308.389 2.033 40 0 DEABLO COC[C@@H]1CN(C(=O)c2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060278 402054703 /nfs/dbraw/zinc/05/47/03/402054703.db2.gz XTWSSRPKKPCEPE-ZDUSSCGKSA-N 1 2 315.373 2.272 40 0 DEABLO O=C(N1CCCC1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060988 402054959 /nfs/dbraw/zinc/05/49/59/402054959.db2.gz RLEPIMOVYPFPTJ-UHFFFAOYSA-N 1 2 300.406 2.329 40 0 DEABLO Cc1cc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)no1 ZINC000096207167 402069704 /nfs/dbraw/zinc/06/97/04/402069704.db2.gz FEGIVMNMJVHDSN-HNNXBMFYSA-N 1 2 316.405 2.238 40 0 DEABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)CC(C)C)CC2 ZINC000096145017 402062266 /nfs/dbraw/zinc/06/22/66/402062266.db2.gz JJGQONZIXTWPNI-UHFFFAOYSA-N 1 2 318.465 2.391 40 0 DEABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)CC(C)C)CC2 ZINC000096145017 402062267 /nfs/dbraw/zinc/06/22/67/402062267.db2.gz JJGQONZIXTWPNI-UHFFFAOYSA-N 1 2 318.465 2.391 40 0 DEABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)CC(C)C)CC2 ZINC000096145017 402062269 /nfs/dbraw/zinc/06/22/69/402062269.db2.gz JJGQONZIXTWPNI-UHFFFAOYSA-N 1 2 318.465 2.391 40 0 DEABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000096187746 402065728 /nfs/dbraw/zinc/06/57/28/402065728.db2.gz IDQWKHVAXWRZKZ-HNNXBMFYSA-N 1 2 301.390 2.170 40 0 DEABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000096187746 402065733 /nfs/dbraw/zinc/06/57/33/402065733.db2.gz IDQWKHVAXWRZKZ-HNNXBMFYSA-N 1 2 301.390 2.170 40 0 DEABLO Cc1cc(C)cc(C[N@@H+]2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1 ZINC000096187382 402066201 /nfs/dbraw/zinc/06/62/01/402066201.db2.gz CJKUYJZPWIVDBB-UHFFFAOYSA-N 1 2 312.417 2.287 40 0 DEABLO Cc1cc(C)cc(C[N@H+]2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1 ZINC000096187382 402066206 /nfs/dbraw/zinc/06/62/06/402066206.db2.gz CJKUYJZPWIVDBB-UHFFFAOYSA-N 1 2 312.417 2.287 40 0 DEABLO COCCN1CC[N@H+](Cc2ccoc2)Cc2ccc(C)nc21 ZINC000096199022 402068359 /nfs/dbraw/zinc/06/83/59/402068359.db2.gz SNKMYHFNZSUTLB-UHFFFAOYSA-N 1 2 301.390 2.452 40 0 DEABLO COCCN1CC[N@@H+](Cc2ccoc2)Cc2ccc(C)nc21 ZINC000096199022 402068362 /nfs/dbraw/zinc/06/83/62/402068362.db2.gz SNKMYHFNZSUTLB-UHFFFAOYSA-N 1 2 301.390 2.452 40 0 DEABLO NC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000257215154 402703619 /nfs/dbraw/zinc/70/36/19/402703619.db2.gz COYFGEHBCILTHS-GOSISDBHSA-N 1 2 322.368 2.199 40 0 DEABLO NC(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000257215154 402703622 /nfs/dbraw/zinc/70/36/22/402703622.db2.gz COYFGEHBCILTHS-GOSISDBHSA-N 1 2 322.368 2.199 40 0 DEABLO Cc1nccc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)n1 ZINC000257220351 402704831 /nfs/dbraw/zinc/70/48/31/402704831.db2.gz DKMKQWOLJIAJPW-MRXNPFEDSA-N 1 2 319.368 2.379 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC000257256230 402709340 /nfs/dbraw/zinc/70/93/40/402709340.db2.gz KKNWZRQGBBUJNW-CQSZACIVSA-N 1 2 315.373 2.063 40 0 DEABLO COc1ccc([C@H]2CN(Cc3cnn(C)c3C)CC[N@@H+]2C)cc1 ZINC000257266352 402710861 /nfs/dbraw/zinc/71/08/61/402710861.db2.gz MCQILGXHEGRRDZ-GOSISDBHSA-N 1 2 314.433 2.226 40 0 DEABLO COc1ccc([C@H]2CN(Cc3cnn(C)c3C)CC[N@H+]2C)cc1 ZINC000257266352 402710863 /nfs/dbraw/zinc/71/08/63/402710863.db2.gz MCQILGXHEGRRDZ-GOSISDBHSA-N 1 2 314.433 2.226 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257285950 402711194 /nfs/dbraw/zinc/71/11/94/402711194.db2.gz PJNIWKPFVKVNCF-GFCCVEGCSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccsc1C[N@H+]1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257285950 402711197 /nfs/dbraw/zinc/71/11/97/402711197.db2.gz PJNIWKPFVKVNCF-GFCCVEGCSA-N 1 2 305.403 2.434 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@H](c3ccnc(C)n3)C2)c[nH+]1 ZINC000257207176 402702937 /nfs/dbraw/zinc/70/29/37/402702937.db2.gz BGRAPCKURLDDLL-INIZCTEOSA-N 1 2 315.421 2.424 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@H](c3ccnc(C)n3)C2)[nH+]1 ZINC000257207176 402702938 /nfs/dbraw/zinc/70/29/38/402702938.db2.gz BGRAPCKURLDDLL-INIZCTEOSA-N 1 2 315.421 2.424 40 0 DEABLO O=C(C1=CCCC1)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000306123818 403950630 /nfs/dbraw/zinc/95/06/30/403950630.db2.gz AXVPWJHEQDHBDM-MRXNPFEDSA-N 1 2 324.384 2.351 40 0 DEABLO CC(C)Nc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000328974241 404186451 /nfs/dbraw/zinc/18/64/51/404186451.db2.gz FEROMRAKYREWEI-UHFFFAOYSA-N 1 2 320.400 2.210 40 0 DEABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328964172 424902670 /nfs/dbraw/zinc/90/26/70/424902670.db2.gz BTPAQZVEIVWISI-OAHLLOKOSA-N 1 2 315.421 2.788 40 0 DEABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328970331 301971912 /nfs/dbraw/zinc/97/19/12/301971912.db2.gz DIWVMVRQUDMRDO-ZDUSSCGKSA-N 1 2 312.417 2.351 40 0 DEABLO CNc1nc(NCc2ccccc2OC)cc(-c2ccncc2)[nH+]1 ZINC000329049495 529833402 /nfs/dbraw/zinc/83/34/02/529833402.db2.gz UOTCMGLTIYMBOT-UHFFFAOYSA-N 1 2 321.384 2.045 40 0 DEABLO CC[NH+]1CCC(Cc2cc(Nc3nncs3)ncn2)CC1 ZINC000072361567 191131910 /nfs/dbraw/zinc/13/19/10/191131910.db2.gz VSRUASZLOCEWRK-UHFFFAOYSA-N 1 2 304.423 2.346 40 0 DEABLO CCOCCc1c[nH+]c2n1CCN(Cc1cc(C)nn1C)[C@@H]2C ZINC000585098473 357333140 /nfs/dbraw/zinc/33/31/40/357333140.db2.gz TYLQPWMNCISVLO-CQSZACIVSA-N 1 2 317.437 2.081 40 0 DEABLO COc1ccc(SCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000020106087 182187129 /nfs/dbraw/zinc/18/71/29/182187129.db2.gz YDUKMALJQTZJFR-UHFFFAOYSA-N 1 2 305.403 2.190 40 0 DEABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2c(=O)c1C ZINC000012222897 401781756 /nfs/dbraw/zinc/78/17/56/401781756.db2.gz MWDNHJYNTYIWLX-OAHLLOKOSA-N 1 2 323.400 2.436 40 0 DEABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2c(=O)c1C ZINC000012222897 401781758 /nfs/dbraw/zinc/78/17/58/401781758.db2.gz MWDNHJYNTYIWLX-OAHLLOKOSA-N 1 2 323.400 2.436 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cccnc2)CC[N@@H+]1C ZINC000036132093 401903156 /nfs/dbraw/zinc/90/31/56/401903156.db2.gz BGQKHMFBAIIENB-MRXNPFEDSA-N 1 2 311.385 2.219 40 0 DEABLO COc1ccccc1[C@H]1CN(C(=O)c2cccnc2)CC[N@H+]1C ZINC000036132093 401903157 /nfs/dbraw/zinc/90/31/57/401903157.db2.gz BGQKHMFBAIIENB-MRXNPFEDSA-N 1 2 311.385 2.219 40 0 DEABLO C[C@H]1CN(C/C=C/C[N@@H+]2C[C@H](C)C(=O)C[C@@H]2C)[C@@H](C)CC1=O ZINC000036507730 401905644 /nfs/dbraw/zinc/90/56/44/401905644.db2.gz AXZMGWWNXZUFCN-GLGJLECESA-N 1 2 306.450 2.141 40 0 DEABLO C[C@H]1CN(C/C=C/C[N@H+]2C[C@H](C)C(=O)C[C@@H]2C)[C@@H](C)CC1=O ZINC000036507730 401905646 /nfs/dbraw/zinc/90/56/46/401905646.db2.gz AXZMGWWNXZUFCN-GLGJLECESA-N 1 2 306.450 2.141 40 0 DEABLO c1csc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096042582 402049379 /nfs/dbraw/zinc/04/93/79/402049379.db2.gz KVNGBULLWZARIV-IOASZLSFSA-N 1 2 317.414 2.349 40 0 DEABLO c1csc(C[N@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096042582 402049380 /nfs/dbraw/zinc/04/93/80/402049380.db2.gz KVNGBULLWZARIV-IOASZLSFSA-N 1 2 317.414 2.349 40 0 DEABLO CCC(=O)N1CCc2[nH+]c(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096254267 402074615 /nfs/dbraw/zinc/07/46/15/402074615.db2.gz KVXGCFHSEBTWPW-UHFFFAOYSA-N 1 2 317.437 2.192 40 0 DEABLO c1cc(CN2CCn3cc(CNc4cccc[nH+]4)nc3C2)co1 ZINC000096197500 402067169 /nfs/dbraw/zinc/06/71/69/402067169.db2.gz FEDRSXWAHPNCPS-UHFFFAOYSA-N 1 2 309.373 2.499 40 0 DEABLO CCCOC(=O)c1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000070462672 402262030 /nfs/dbraw/zinc/26/20/30/402262030.db2.gz XEQKRDIXHDQVMH-UHFFFAOYSA-N 1 2 311.813 2.241 40 0 DEABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C)CC1 ZINC000222748564 402308878 /nfs/dbraw/zinc/30/88/78/402308878.db2.gz PMLGBHWEHGKPQM-CQSZACIVSA-N 1 2 302.418 2.107 40 0 DEABLO C[NH+]1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000225446773 402317863 /nfs/dbraw/zinc/31/78/63/402317863.db2.gz MGSZIXGHTCHCMR-UHFFFAOYSA-N 1 2 316.829 2.486 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)[nH+]1 ZINC000257219873 402704212 /nfs/dbraw/zinc/70/42/12/402704212.db2.gz DIOKRNKGQNOUIS-VIFPVBQESA-N 1 2 306.753 2.102 40 0 DEABLO CNc1cc(CC2CCN(C(=O)c3ccccn3)CC2)[nH+]cn1 ZINC000257220844 402705190 /nfs/dbraw/zinc/70/51/90/402705190.db2.gz DMKKGCPIUVRVJS-UHFFFAOYSA-N 1 2 311.389 2.008 40 0 DEABLO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H]3c3ccncn3)c2n1 ZINC000257224662 402705808 /nfs/dbraw/zinc/70/58/08/402705808.db2.gz FCUBCWBTJKZFHT-MRXNPFEDSA-N 1 2 308.389 2.473 40 0 DEABLO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H]3c3ccncn3)c2n1 ZINC000257224662 402705809 /nfs/dbraw/zinc/70/58/09/402705809.db2.gz FCUBCWBTJKZFHT-MRXNPFEDSA-N 1 2 308.389 2.473 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257202470 402702264 /nfs/dbraw/zinc/70/22/64/402702264.db2.gz ALYUVIDSYIAKSR-NSHDSACASA-N 1 2 311.432 2.348 40 0 DEABLO Cc1nccc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257202153 402702270 /nfs/dbraw/zinc/70/22/70/402702270.db2.gz AKSKYJNYNSANNK-HNNXBMFYSA-N 1 2 313.405 2.168 40 0 DEABLO CNc1cccc([C@@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257207124 402702950 /nfs/dbraw/zinc/70/29/50/402702950.db2.gz BGLMCRIZLCYEFA-INIZCTEOSA-N 1 2 315.421 2.047 40 0 DEABLO CNc1cccc([C@@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257207124 402702953 /nfs/dbraw/zinc/70/29/53/402702953.db2.gz BGLMCRIZLCYEFA-INIZCTEOSA-N 1 2 315.421 2.047 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000328962951 404182440 /nfs/dbraw/zinc/18/24/40/404182440.db2.gz BLHUHTLDIMZZMX-VIFPVBQESA-N 1 2 320.343 2.012 40 0 DEABLO C[C@@H](CO)Nc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329065728 534128298 /nfs/dbraw/zinc/12/82/98/534128298.db2.gz XUDKULORRSTEEN-JTQLQIEISA-N 1 2 318.808 2.388 40 0 DEABLO COCC[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306132514 231086900 /nfs/dbraw/zinc/08/69/00/231086900.db2.gz LLEAVAJJNBVBCW-SFHVURJKSA-N 1 2 315.417 2.493 40 0 DEABLO COCC[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000306132514 231086903 /nfs/dbraw/zinc/08/69/03/231086903.db2.gz LLEAVAJJNBVBCW-SFHVURJKSA-N 1 2 315.417 2.493 40 0 DEABLO O=C(c1cnccn1)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378759 191141858 /nfs/dbraw/zinc/14/18/58/191141858.db2.gz LZNYYZZYQHFRGT-HNNXBMFYSA-N 1 2 320.356 2.035 40 0 DEABLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000581356287 357172429 /nfs/dbraw/zinc/17/24/29/357172429.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000581356287 357172436 /nfs/dbraw/zinc/17/24/36/357172436.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000581356287 357172439 /nfs/dbraw/zinc/17/24/39/357172439.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1nc([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000581356287 357172443 /nfs/dbraw/zinc/17/24/43/357172443.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1nc([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000581356287 357172448 /nfs/dbraw/zinc/17/24/48/357172448.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1nnc([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000581356288 357172964 /nfs/dbraw/zinc/17/29/64/357172964.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000581356288 357172967 /nfs/dbraw/zinc/17/29/67/357172967.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000581356288 357172969 /nfs/dbraw/zinc/17/29/69/357172969.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1nc([C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000581356288 357172972 /nfs/dbraw/zinc/17/29/72/357172972.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 1 2 310.361 2.153 40 0 DEABLO Cc1nc([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n[nH]1 ZINC000581356288 357172974 /nfs/dbraw/zinc/17/29/74/357172974.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 1 2 310.361 2.153 40 0 DEABLO COCCc1c[nH+]c2n1CCN(Cc1cccnc1OC)[C@@H]2C ZINC000585098573 357332683 /nfs/dbraw/zinc/33/26/83/357332683.db2.gz UZEMNPXATRUBAI-CYBMUJFWSA-N 1 2 316.405 2.052 40 0 DEABLO OC[C@@]1(Cc2ccccc2F)C[N@H+](Cc2cccnc2)CCO1 ZINC000585275294 357342055 /nfs/dbraw/zinc/34/20/55/357342055.db2.gz CKQQUMHPOWBEDF-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO OC[C@@]1(Cc2ccccc2F)C[N@@H+](Cc2cccnc2)CCO1 ZINC000585275294 357342058 /nfs/dbraw/zinc/34/20/58/357342058.db2.gz CKQQUMHPOWBEDF-GOSISDBHSA-N 1 2 316.376 2.027 40 0 DEABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000257270558 203000593 /nfs/dbraw/zinc/00/05/93/203000593.db2.gz MUSHBZYHLJINLQ-CQSZACIVSA-N 1 2 318.402 2.044 40 0 DEABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccnc(C)n3)C2)cs1 ZINC000257299297 203024286 /nfs/dbraw/zinc/02/42/86/203024286.db2.gz RPLXHJRDWWPBIJ-CQSZACIVSA-N 1 2 318.446 2.241 40 0 DEABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccnc(C)n3)C2)cs1 ZINC000257299297 203024291 /nfs/dbraw/zinc/02/42/91/203024291.db2.gz RPLXHJRDWWPBIJ-CQSZACIVSA-N 1 2 318.446 2.241 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257280453 203008803 /nfs/dbraw/zinc/00/88/03/203008803.db2.gz OKXNZSVNJRJBPK-NSHDSACASA-N 1 2 301.394 2.368 40 0 DEABLO Cc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)no1 ZINC000257284712 203012449 /nfs/dbraw/zinc/01/24/49/203012449.db2.gz PDXRLGAFNNKNPG-ZDUSSCGKSA-N 1 2 300.362 2.119 40 0 DEABLO OCC[N@@H+]1CCO[C@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495515 257132470 /nfs/dbraw/zinc/13/24/70/257132470.db2.gz QVMUTQCVZLVTOZ-NSHDSACASA-N 1 2 306.189 2.065 40 0 DEABLO OCC[N@H+]1CCO[C@H](COc2cc(Cl)ccc2Cl)C1 ZINC000217495515 257132472 /nfs/dbraw/zinc/13/24/72/257132472.db2.gz QVMUTQCVZLVTOZ-NSHDSACASA-N 1 2 306.189 2.065 40 0 DEABLO CCn1ncc2c1C[N@H+](Cc1c(C)noc1C)C[C@@H]2COC ZINC000096044565 402049883 /nfs/dbraw/zinc/04/98/83/402049883.db2.gz GLVFDBAMRPMAGB-CYBMUJFWSA-N 1 2 304.394 2.254 40 0 DEABLO CCn1ncc2c1C[N@@H+](Cc1c(C)noc1C)C[C@@H]2COC ZINC000096044565 402049885 /nfs/dbraw/zinc/04/98/85/402049885.db2.gz GLVFDBAMRPMAGB-CYBMUJFWSA-N 1 2 304.394 2.254 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096046182 402050451 /nfs/dbraw/zinc/05/04/51/402050451.db2.gz ILCWFINJSHJVHA-QJPTWQEYSA-N 1 2 306.391 2.187 40 0 DEABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096046182 402050452 /nfs/dbraw/zinc/05/04/52/402050452.db2.gz ILCWFINJSHJVHA-QJPTWQEYSA-N 1 2 306.391 2.187 40 0 DEABLO c1coc(C[N@H+]2CCO[C@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000096055254 402053038 /nfs/dbraw/zinc/05/30/38/402053038.db2.gz OVDXPQXHVQTEKD-KBMXLJTQSA-N 1 2 315.373 2.128 40 0 DEABLO c1coc(C[N@@H+]2CCO[C@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000096055254 402053041 /nfs/dbraw/zinc/05/30/41/402053041.db2.gz OVDXPQXHVQTEKD-KBMXLJTQSA-N 1 2 315.373 2.128 40 0 DEABLO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096057970 402053590 /nfs/dbraw/zinc/05/35/90/402053590.db2.gz LVOZMVPNPPAMMM-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096057970 402053592 /nfs/dbraw/zinc/05/35/92/402053592.db2.gz LVOZMVPNPPAMMM-RCCFBDPRSA-N 1 2 311.385 2.287 40 0 DEABLO c1snnc1C[N@@H+]1CC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096072442 402056215 /nfs/dbraw/zinc/05/62/15/402056215.db2.gz DLIRWSRVRFVMJO-HZPDHXFCSA-N 1 2 317.414 2.351 40 0 DEABLO c1snnc1C[N@H+]1CC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000096072442 402056216 /nfs/dbraw/zinc/05/62/16/402056216.db2.gz DLIRWSRVRFVMJO-HZPDHXFCSA-N 1 2 317.414 2.351 40 0 DEABLO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+](Cc1ccco1)CC2 ZINC000096187407 402066290 /nfs/dbraw/zinc/06/62/90/402066290.db2.gz TWKBYNUTLXSUDU-LBPRGKRZSA-N 1 2 314.389 2.186 40 0 DEABLO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096187407 402066293 /nfs/dbraw/zinc/06/62/93/402066293.db2.gz TWKBYNUTLXSUDU-LBPRGKRZSA-N 1 2 314.389 2.186 40 0 DEABLO c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000097953760 402133492 /nfs/dbraw/zinc/13/34/92/402133492.db2.gz JSLJOEFDMGOOJA-XYJFISCASA-N 1 2 311.385 2.287 40 0 DEABLO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)nc1 ZINC000097953760 402133495 /nfs/dbraw/zinc/13/34/95/402133495.db2.gz JSLJOEFDMGOOJA-XYJFISCASA-N 1 2 311.385 2.287 40 0 DEABLO c1cncc(O[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)c1 ZINC000247858784 402576865 /nfs/dbraw/zinc/57/68/65/402576865.db2.gz YWIGSGISSSVHFD-MRXNPFEDSA-N 1 2 311.385 2.289 40 0 DEABLO COCC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247888660 402577401 /nfs/dbraw/zinc/57/74/01/402577401.db2.gz SMVUJALJJLZZEK-OAHLLOKOSA-N 1 2 315.373 2.205 40 0 DEABLO COCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247888660 402577402 /nfs/dbraw/zinc/57/74/02/402577402.db2.gz SMVUJALJJLZZEK-OAHLLOKOSA-N 1 2 315.373 2.205 40 0 DEABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1cc[nH]n1 ZINC000257222780 402705179 /nfs/dbraw/zinc/70/51/79/402705179.db2.gz DURKNKFUHXIMDT-HNNXBMFYSA-N 1 2 309.373 2.372 40 0 DEABLO c1coc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588669 402669037 /nfs/dbraw/zinc/66/90/37/402669037.db2.gz NKBDBPDKVQUPML-SFHVURJKSA-N 1 2 324.384 2.472 40 0 DEABLO c1coc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588669 402669040 /nfs/dbraw/zinc/66/90/40/402669040.db2.gz NKBDBPDKVQUPML-SFHVURJKSA-N 1 2 324.384 2.472 40 0 DEABLO COc1cccc(C[N@@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093148 405866777 /nfs/dbraw/zinc/86/67/77/405866777.db2.gz FEQGYFUDKQMGNO-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO COc1cccc(C[N@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)c1 ZINC000585093148 405866782 /nfs/dbraw/zinc/86/67/82/405866782.db2.gz FEQGYFUDKQMGNO-OAHLLOKOSA-N 1 2 310.344 2.043 40 0 DEABLO CCOC[C@H]1CCn2c[nH+]cc2CN1Cc1cccnc1OC ZINC000585098042 405868713 /nfs/dbraw/zinc/86/87/13/405868713.db2.gz SQPNJPBGYHOPDJ-OAHLLOKOSA-N 1 2 316.405 2.098 40 0 DEABLO COCCN1CCN(C(=O)c2ccoc2C)Cc2ccc[nH+]c21 ZINC000096060931 292538415 /nfs/dbraw/zinc/53/84/15/292538415.db2.gz JPVBAGZOHWWQHP-UHFFFAOYSA-N 1 2 315.373 2.092 40 0 DEABLO Cc1ccsc1C[N@@H+]1CCO[C@H](c2nccnc2N(C)C)C1 ZINC000257199828 424888852 /nfs/dbraw/zinc/88/88/52/424888852.db2.gz AAYMEXGLRKYYKN-ZDUSSCGKSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1ccsc1C[N@H+]1CCO[C@H](c2nccnc2N(C)C)C1 ZINC000257199828 424888854 /nfs/dbraw/zinc/88/88/54/424888854.db2.gz AAYMEXGLRKYYKN-ZDUSSCGKSA-N 1 2 318.446 2.486 40 0 DEABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)ccc1F ZINC000329036490 424903070 /nfs/dbraw/zinc/90/30/70/424903070.db2.gz RJMMDKDFFNCABH-UHFFFAOYSA-N 1 2 302.353 2.949 40 0 DEABLO CCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328974862 527995495 /nfs/dbraw/zinc/99/54/95/527995495.db2.gz FHEPTMNPWNJASG-UHFFFAOYSA-N 1 2 319.412 2.469 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072369507 191139321 /nfs/dbraw/zinc/13/93/21/191139321.db2.gz OIZMLRJGYSNWRK-AWEZNQCLSA-N 1 2 323.400 2.474 40 0 DEABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 ZINC000585110888 357335097 /nfs/dbraw/zinc/33/50/97/357335097.db2.gz UWURSLWODIVNGM-MRXNPFEDSA-N 1 2 324.428 2.060 40 0 DEABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 ZINC000585110888 357335099 /nfs/dbraw/zinc/33/50/99/357335099.db2.gz UWURSLWODIVNGM-MRXNPFEDSA-N 1 2 324.428 2.060 40 0 DEABLO CO[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585274347 357341444 /nfs/dbraw/zinc/34/14/44/357341444.db2.gz JGPVZWCIRFBGHI-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585274347 357341447 /nfs/dbraw/zinc/34/14/47/357341447.db2.gz JGPVZWCIRFBGHI-INIZCTEOSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585278459 357343431 /nfs/dbraw/zinc/34/34/31/357343431.db2.gz DXFBBIKEPWOXCR-WBVHZDCISA-N 1 2 313.401 2.058 40 0 DEABLO CCc1nc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)no1 ZINC000585290378 357345132 /nfs/dbraw/zinc/34/51/32/357345132.db2.gz VLUYHECSBXHSEA-JJRVBVJISA-N 1 2 317.389 2.083 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257272987 203002640 /nfs/dbraw/zinc/00/26/40/203002640.db2.gz NEUWSJVDJVGCER-CYBMUJFWSA-N 1 2 318.446 2.360 40 0 DEABLO CC(=O)N1CCC[C@H](c2nc(C)cc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257280715 203007625 /nfs/dbraw/zinc/00/76/25/203007625.db2.gz OMBIDXXKSADPCP-AWEZNQCLSA-N 1 2 313.405 2.220 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257285920 203014181 /nfs/dbraw/zinc/01/41/81/203014181.db2.gz PJLDMNKCUYQKBO-AWEZNQCLSA-N 1 2 311.389 2.373 40 0 DEABLO Cc1nc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)no1 ZINC000257290251 203016390 /nfs/dbraw/zinc/01/63/90/203016390.db2.gz QCEBRHRETSNPCC-VHDGCEQUSA-N 1 2 300.362 2.062 40 0 DEABLO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)no1 ZINC000257290251 203016393 /nfs/dbraw/zinc/01/63/93/203016393.db2.gz QCEBRHRETSNPCC-VHDGCEQUSA-N 1 2 300.362 2.062 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257294815 203020108 /nfs/dbraw/zinc/02/01/08/203020108.db2.gz QVVSNYJXSUYWTP-GFCCVEGCSA-N 1 2 309.373 2.235 40 0 DEABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@H+](C)C3)cn2)s1 ZINC000257340857 203062932 /nfs/dbraw/zinc/06/29/32/203062932.db2.gz ZHUBHERTLIAMMR-JTQLQIEISA-N 1 2 304.423 2.443 40 0 DEABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@@H+](C)C3)cn2)s1 ZINC000257340857 203062936 /nfs/dbraw/zinc/06/29/36/203062936.db2.gz ZHUBHERTLIAMMR-JTQLQIEISA-N 1 2 304.423 2.443 40 0 DEABLO Cc1cccnc1C[NH+]1CCN(C[C@H](O)c2cccs2)CC1 ZINC000019237818 182111096 /nfs/dbraw/zinc/11/10/96/182111096.db2.gz CXXASNCVJLYKFS-INIZCTEOSA-N 1 2 317.458 2.303 40 0 DEABLO Cc1cccnc1C[NH+]1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000019237817 182111214 /nfs/dbraw/zinc/11/12/14/182111214.db2.gz CXXASNCVJLYKFS-MRXNPFEDSA-N 1 2 317.458 2.303 40 0 DEABLO Cc1ccccc1C1=NO[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@H]12 ZINC000019236972 182111001 /nfs/dbraw/zinc/11/10/01/182111001.db2.gz XCGODBKYGKTDDD-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccccc1C1=NO[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@@H]12 ZINC000019236972 182111003 /nfs/dbraw/zinc/11/10/03/182111003.db2.gz XCGODBKYGKTDDD-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019576631 182131195 /nfs/dbraw/zinc/13/11/95/182131195.db2.gz DHOZGNYXWARYAR-UHFFFAOYSA-N 1 2 321.384 2.235 40 0 DEABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019576631 182131196 /nfs/dbraw/zinc/13/11/96/182131196.db2.gz DHOZGNYXWARYAR-UHFFFAOYSA-N 1 2 321.384 2.235 40 0 DEABLO Cc1cc(C)n(-c2cccc(C(=O)NCCn3cc[nH+]c3)c2)n1 ZINC000019574750 182131578 /nfs/dbraw/zinc/13/15/78/182131578.db2.gz TYGJOZMERHHREY-UHFFFAOYSA-N 1 2 309.373 2.116 40 0 DEABLO CC[C@H]1CN(C(=O)c2cnc(C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000273840795 211102782 /nfs/dbraw/zinc/10/27/82/211102782.db2.gz GVYXQCGRXFJLLM-INIZCTEOSA-N 1 2 312.417 2.455 40 0 DEABLO CC[C@H]1CN(C(=O)c2cnc(C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000273840795 211102786 /nfs/dbraw/zinc/10/27/86/211102786.db2.gz GVYXQCGRXFJLLM-INIZCTEOSA-N 1 2 312.417 2.455 40 0 DEABLO NN=c1nc(NCc2ccccc2)[nH]c(NCc2ccccc2)[nH+]1 ZINC000001882404 401711166 /nfs/dbraw/zinc/71/11/66/401711166.db2.gz MGGFTCWEJVDMIC-UHFFFAOYSA-N 1 2 321.388 2.381 40 0 DEABLO Cc1cccc(-c2nnc(SCC[NH+]3CCOCC3)n2C)c1 ZINC000026099401 401838393 /nfs/dbraw/zinc/83/83/93/401838393.db2.gz APIJCOJPGKICOA-UHFFFAOYSA-N 1 2 318.446 2.215 40 0 DEABLO COCCc1nc(Nc2ccc(OC)cc2OC)cc(N)[nH+]1 ZINC000049467783 402018172 /nfs/dbraw/zinc/01/81/72/402018172.db2.gz GFECHJKYNDCFDC-UHFFFAOYSA-N 1 2 304.350 2.009 40 0 DEABLO COCCc1nc(N)cc(Nc2ccc(OC)cc2OC)[nH+]1 ZINC000049467783 402018175 /nfs/dbraw/zinc/01/81/75/402018175.db2.gz GFECHJKYNDCFDC-UHFFFAOYSA-N 1 2 304.350 2.009 40 0 DEABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041584 402048929 /nfs/dbraw/zinc/04/89/29/402048929.db2.gz YVAKUFSMNUGEIO-GVDBMIGSSA-N 1 2 306.406 2.450 40 0 DEABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041584 402048931 /nfs/dbraw/zinc/04/89/31/402048931.db2.gz YVAKUFSMNUGEIO-GVDBMIGSSA-N 1 2 306.406 2.450 40 0 DEABLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)O2)n1 ZINC000096041070 402049004 /nfs/dbraw/zinc/04/90/04/402049004.db2.gz WPWMOVOUQVDDES-IJLUTSLNSA-N 1 2 306.391 2.329 40 0 DEABLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)O2)n1 ZINC000096041070 402049005 /nfs/dbraw/zinc/04/90/05/402049005.db2.gz WPWMOVOUQVDDES-IJLUTSLNSA-N 1 2 306.391 2.329 40 0 DEABLO CCOC[C@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2[nH+]cn(C)c21 ZINC000096044837 402049375 /nfs/dbraw/zinc/04/93/75/402049375.db2.gz CJXBAXSFOBCVRJ-CYBMUJFWSA-N 1 2 316.405 2.141 40 0 DEABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)c1ccco1)C2 ZINC000096060248 402054052 /nfs/dbraw/zinc/05/40/52/402054052.db2.gz NJQABUKTWQRABK-ZDUSSCGKSA-N 1 2 315.373 2.179 40 0 DEABLO c1csc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096187181 402066035 /nfs/dbraw/zinc/06/60/35/402066035.db2.gz KVNGBULLWZARIV-WWGRRREGSA-N 1 2 317.414 2.349 40 0 DEABLO c1csc(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096187181 402066038 /nfs/dbraw/zinc/06/60/38/402066038.db2.gz KVNGBULLWZARIV-WWGRRREGSA-N 1 2 317.414 2.349 40 0 DEABLO O=C(c1ccco1)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197509 402067555 /nfs/dbraw/zinc/06/75/55/402067555.db2.gz DRCRWTJGONULHS-UHFFFAOYSA-N 1 2 323.356 2.139 40 0 DEABLO Cc1cc(N2CCC[C@H]2c2nccnc2-c2nccn2C)nc[nH+]1 ZINC000257209600 402703367 /nfs/dbraw/zinc/70/33/67/402703367.db2.gz BQZSWUDVOBXZSH-ZDUSSCGKSA-N 1 2 321.388 2.317 40 0 DEABLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257215714 402703701 /nfs/dbraw/zinc/70/37/01/402703701.db2.gz CRHSWCKTVJFTJR-CQSZACIVSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1ccc(C[N@H+]2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)s1 ZINC000257215714 402703705 /nfs/dbraw/zinc/70/37/05/402703705.db2.gz CRHSWCKTVJFTJR-CQSZACIVSA-N 1 2 305.403 2.434 40 0 DEABLO Cc1nccc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)n1 ZINC000257220350 402705166 /nfs/dbraw/zinc/70/51/66/402705166.db2.gz DKMKQWOLJIAJPW-INIZCTEOSA-N 1 2 319.368 2.379 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cccn3C)CC[N@@H+]2C)cc1 ZINC000257245468 402708098 /nfs/dbraw/zinc/70/80/98/402708098.db2.gz IPQJBMYTXNQYDH-QGZVFWFLSA-N 1 2 313.401 2.163 40 0 DEABLO COc1ccc([C@H]2CN(C(=O)c3cccn3C)CC[N@H+]2C)cc1 ZINC000257245468 402708100 /nfs/dbraw/zinc/70/81/00/402708100.db2.gz IPQJBMYTXNQYDH-QGZVFWFLSA-N 1 2 313.401 2.163 40 0 DEABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(N)=O ZINC000257271701 402711600 /nfs/dbraw/zinc/71/16/00/402711600.db2.gz MZKVLDKAWLXZOB-HNNXBMFYSA-N 1 2 314.364 2.360 40 0 DEABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ncc1C(N)=O ZINC000257271701 402711601 /nfs/dbraw/zinc/71/16/01/402711601.db2.gz MZKVLDKAWLXZOB-HNNXBMFYSA-N 1 2 314.364 2.360 40 0 DEABLO CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc[nH+]1 ZINC000329067380 404220054 /nfs/dbraw/zinc/22/00/54/404220054.db2.gz YIKUKEJAHCCRHE-UHFFFAOYSA-N 1 2 312.373 2.258 40 0 DEABLO CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)[nH+]cn1 ZINC000329067380 404220060 /nfs/dbraw/zinc/22/00/60/404220060.db2.gz YIKUKEJAHCCRHE-UHFFFAOYSA-N 1 2 312.373 2.258 40 0 DEABLO C[C@H](C[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000096515878 298508826 /nfs/dbraw/zinc/50/88/26/298508826.db2.gz NSFWBEIRQCRGIL-SECBINFHSA-N 1 2 306.225 2.173 40 0 DEABLO O=C(CCc1cccnc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131252385 196153963 /nfs/dbraw/zinc/15/39/63/196153963.db2.gz CHJKKLDMSMNRGW-INIZCTEOSA-N 1 2 310.401 2.194 40 0 DEABLO OCCNc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329041238 424902746 /nfs/dbraw/zinc/90/27/46/424902746.db2.gz SGWRECJQNUCIJI-UHFFFAOYSA-N 1 2 322.368 2.997 40 0 DEABLO c1cn(-c2cccc([C@H]3CCCN(c4ncccn4)C3)n2)c[nH+]1 ZINC000072378785 191140794 /nfs/dbraw/zinc/14/07/94/191140794.db2.gz MYJZYGGGQUDYSG-AWEZNQCLSA-N 1 2 306.373 2.441 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000585110922 357335456 /nfs/dbraw/zinc/33/54/56/357335456.db2.gz ZKNLXVRONLHDNX-CYBMUJFWSA-N 1 2 318.446 2.106 40 0 DEABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000585110922 357335462 /nfs/dbraw/zinc/33/54/62/357335462.db2.gz ZKNLXVRONLHDNX-CYBMUJFWSA-N 1 2 318.446 2.106 40 0 DEABLO CO[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585274348 357340683 /nfs/dbraw/zinc/34/06/83/357340683.db2.gz JGPVZWCIRFBGHI-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO CO[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585274348 357340686 /nfs/dbraw/zinc/34/06/86/357340686.db2.gz JGPVZWCIRFBGHI-MRXNPFEDSA-N 1 2 305.353 2.219 40 0 DEABLO Cc1cc(C[N@@H+]2CC[C@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269456 357341126 /nfs/dbraw/zinc/34/11/26/357341126.db2.gz VBUSACAXBCYKMH-QGZVFWFLSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1cc(C[N@H+]2CC[C@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269456 357341128 /nfs/dbraw/zinc/34/11/28/357341128.db2.gz VBUSACAXBCYKMH-QGZVFWFLSA-N 1 2 302.374 2.307 40 0 DEABLO Cc1nn(C)cc1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257304198 203027886 /nfs/dbraw/zinc/02/78/86/203027886.db2.gz SKMCDHQNVOYHSD-MRXNPFEDSA-N 1 2 321.384 2.322 40 0 DEABLO Cc1cnn(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)c1 ZINC000257305278 203030883 /nfs/dbraw/zinc/03/08/83/203030883.db2.gz SPGCHHYMBHKUAO-INIZCTEOSA-N 1 2 321.384 2.172 40 0 DEABLO COc1ccc([C@@H]2C[N@H+](Cc3ccnc(C)n3)CCN2C)cc1 ZINC000257306603 203032753 /nfs/dbraw/zinc/03/27/53/203032753.db2.gz SUZUHDIPQKUCHD-SFHVURJKSA-N 1 2 312.417 2.282 40 0 DEABLO COc1ccc([C@@H]2C[N@@H+](Cc3ccnc(C)n3)CCN2C)cc1 ZINC000257306603 203032756 /nfs/dbraw/zinc/03/27/56/203032756.db2.gz SUZUHDIPQKUCHD-SFHVURJKSA-N 1 2 312.417 2.282 40 0 DEABLO Cc1cccc(C[N@@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)n1 ZINC000257279407 203008362 /nfs/dbraw/zinc/00/83/62/203008362.db2.gz OGKMRFJSJZWZJP-ROUUACIJSA-N 1 2 323.396 2.006 40 0 DEABLO Cc1cccc(C[N@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)n1 ZINC000257279407 203008365 /nfs/dbraw/zinc/00/83/65/203008365.db2.gz OGKMRFJSJZWZJP-ROUUACIJSA-N 1 2 323.396 2.006 40 0 DEABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257313989 203039585 /nfs/dbraw/zinc/03/95/85/203039585.db2.gz UUYBCLMJBYDJJT-LBPRGKRZSA-N 1 2 300.362 2.147 40 0 DEABLO CNc1cc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ccn1 ZINC000257321439 203045517 /nfs/dbraw/zinc/04/55/17/203045517.db2.gz WBRYVAZXKHRFTC-OAHLLOKOSA-N 1 2 313.405 2.116 40 0 DEABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257322307 203047842 /nfs/dbraw/zinc/04/78/42/203047842.db2.gz WFKUCGRUZCNSJD-CQSZACIVSA-N 1 2 323.400 2.314 40 0 DEABLO Cn1cc(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)cn1 ZINC000019719522 182138277 /nfs/dbraw/zinc/13/82/77/182138277.db2.gz RVXYIUMEYXYSMQ-UHFFFAOYSA-N 1 2 310.357 2.298 40 0 DEABLO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000022514437 182324265 /nfs/dbraw/zinc/32/42/65/182324265.db2.gz MCAPKWWFLPPWNB-INIZCTEOSA-N 1 2 317.389 2.256 40 0 DEABLO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000036644023 401906506 /nfs/dbraw/zinc/90/65/06/401906506.db2.gz QVNHPOOVEKLQOR-UHFFFAOYSA-N 1 2 318.204 2.135 40 0 DEABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095533648 402033558 /nfs/dbraw/zinc/03/35/58/402033558.db2.gz SHHIZVSNSNPTCQ-INIZCTEOSA-N 1 2 310.357 2.440 40 0 DEABLO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2nccs2)CC1 ZINC000096036997 402048165 /nfs/dbraw/zinc/04/81/65/402048165.db2.gz QXCWAJBCDUEJLC-UHFFFAOYSA-N 1 2 317.462 2.085 40 0 DEABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)Nc1cccc(F)c1)C2 ZINC000096084455 402057883 /nfs/dbraw/zinc/05/78/83/402057883.db2.gz HRBWHMUUEYLIKR-UHFFFAOYSA-N 1 2 317.368 2.169 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccccn1)CC2 ZINC000096197775 402067545 /nfs/dbraw/zinc/06/75/45/402067545.db2.gz AEXZVOVYIMSFRW-QGZVFWFLSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccccn1)CC2 ZINC000096197775 402067547 /nfs/dbraw/zinc/06/75/47/402067547.db2.gz AEXZVOVYIMSFRW-QGZVFWFLSA-N 1 2 312.417 2.341 40 0 DEABLO c1[nH]c(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000067898625 402178052 /nfs/dbraw/zinc/17/80/52/402178052.db2.gz XJSMGDXWUMZZEE-INIZCTEOSA-N 1 2 309.373 2.373 40 0 biogenic,in-vitro DEABLO c1[nH]cc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)[nH+]1 ZINC000067898625 402178053 /nfs/dbraw/zinc/17/80/53/402178053.db2.gz XJSMGDXWUMZZEE-INIZCTEOSA-N 1 2 309.373 2.373 40 0 biogenic,in-vitro DEABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CNC(=O)c2ccsc2)C1 ZINC000248030160 402580778 /nfs/dbraw/zinc/58/07/78/402580778.db2.gz XIYZHPBDXQSLGP-CQSZACIVSA-N 1 2 304.419 2.140 40 0 DEABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CNC(=O)c2ccsc2)C1 ZINC000248030160 402580780 /nfs/dbraw/zinc/58/07/80/402580780.db2.gz XIYZHPBDXQSLGP-CQSZACIVSA-N 1 2 304.419 2.140 40 0 DEABLO COCC[C@@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000247817068 402576179 /nfs/dbraw/zinc/57/61/79/402576179.db2.gz BTYMHNOPFLWWJV-CQSZACIVSA-N 1 2 319.401 2.433 40 0 DEABLO O=C(c1ccnnc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257230173 402706483 /nfs/dbraw/zinc/70/64/83/402706483.db2.gz GBDUTLUIMJBQQS-HNNXBMFYSA-N 1 2 305.341 2.070 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257244486 402707680 /nfs/dbraw/zinc/70/76/80/402707680.db2.gz ILNXNMASNWLRDV-CQSZACIVSA-N 1 2 301.394 2.101 40 0 DEABLO CCC(=O)N1CCC[C@H](c2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257241564 402707721 /nfs/dbraw/zinc/70/77/21/402707721.db2.gz HYOCCXHPJNDDRX-ZDUSSCGKSA-N 1 2 313.405 2.302 40 0 DEABLO O=C(c1ccncn1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257252120 402709136 /nfs/dbraw/zinc/70/91/36/402709136.db2.gz JTQBTDKMYVEYIM-HNNXBMFYSA-N 1 2 305.341 2.070 40 0 DEABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257261524 402709913 /nfs/dbraw/zinc/70/99/13/402709913.db2.gz LHSCEENFWCAYHH-OAHLLOKOSA-N 1 2 315.421 2.030 40 0 DEABLO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cnc(OC)nc2)n1 ZINC000257264699 402710393 /nfs/dbraw/zinc/71/03/93/402710393.db2.gz LVRZWRCSZCRWHV-CQSZACIVSA-N 1 2 314.393 2.044 40 0 DEABLO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cnc(OC)nc2)n1 ZINC000257264699 402710395 /nfs/dbraw/zinc/71/03/95/402710395.db2.gz LVRZWRCSZCRWHV-CQSZACIVSA-N 1 2 314.393 2.044 40 0 DEABLO CCCCc1[nH]c(CN2CCO[C@@H](c3cnc(C)cn3)C2)c[nH+]1 ZINC000257266147 402710443 /nfs/dbraw/zinc/71/04/43/402710443.db2.gz MBTRHVWEFFKQBZ-MRXNPFEDSA-N 1 2 315.421 2.424 40 0 DEABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3cnc(C)cn3)C2)[nH+]1 ZINC000257266147 402710447 /nfs/dbraw/zinc/71/04/47/402710447.db2.gz MBTRHVWEFFKQBZ-MRXNPFEDSA-N 1 2 315.421 2.424 40 0 DEABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(NC)n1 ZINC000257284768 402711637 /nfs/dbraw/zinc/71/16/37/402711637.db2.gz PEFHPEAYVUVDRN-CQSZACIVSA-N 1 2 300.410 2.462 40 0 DEABLO c1cc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)ncn1 ZINC000257300877 402712247 /nfs/dbraw/zinc/71/22/47/402712247.db2.gz RWAIXONBCIBMTO-INIZCTEOSA-N 1 2 310.405 2.204 40 0 DEABLO c1cc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)ncn1 ZINC000257300877 402712249 /nfs/dbraw/zinc/71/22/49/402712249.db2.gz RWAIXONBCIBMTO-INIZCTEOSA-N 1 2 310.405 2.204 40 0 DEABLO C[NH+](C)Cc1cnc([C@H]2CN(Cc3ccsc3)CCO2)[nH]1 ZINC000257207408 402703246 /nfs/dbraw/zinc/70/32/46/402703246.db2.gz BHPQIONZSOWFDM-CQSZACIVSA-N 1 2 306.435 2.106 40 0 DEABLO OCCNc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328966203 404183813 /nfs/dbraw/zinc/18/38/13/404183813.db2.gz CILNYNZGFIMUBV-UHFFFAOYSA-N 1 2 322.771 2.138 40 0 DEABLO COc1ccccc1C[N@@H+]1CCOC[C@@H]1CCc1cnccn1 ZINC000257200361 424888990 /nfs/dbraw/zinc/88/89/90/424888990.db2.gz ACYSNKORDBOIFI-KRWDZBQOSA-N 1 2 313.401 2.319 40 0 DEABLO COc1ccccc1C[N@H+]1CCOC[C@@H]1CCc1cnccn1 ZINC000257200361 424888991 /nfs/dbraw/zinc/88/89/91/424888991.db2.gz ACYSNKORDBOIFI-KRWDZBQOSA-N 1 2 313.401 2.319 40 0 DEABLO Cc1occc1C(=O)N1CCC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096048572 279276463 /nfs/dbraw/zinc/27/64/63/279276463.db2.gz DYCOFRSDVSPMDT-PBHICJAKSA-N 1 2 315.373 2.421 40 0 DEABLO Cc1ccnc(N(C(=O)OC(C)(C)C)N2CC[NH+](C)CC2)c1 ZINC000199719522 563516038 /nfs/dbraw/zinc/51/60/38/563516038.db2.gz UQZRDGZSFSCZMZ-UHFFFAOYSA-N 1 2 306.410 2.294 40 0 DEABLO CCn1ccnc1C[NH+]1CCC([C@@H]2CCCCN(C)C2=O)CC1 ZINC000072372017 191139467 /nfs/dbraw/zinc/13/94/67/191139467.db2.gz JKUXXXRLDMFVJR-INIZCTEOSA-N 1 2 318.465 2.374 40 0 DEABLO CCCCOc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000033864597 354159882 /nfs/dbraw/zinc/15/98/82/354159882.db2.gz SZNKTMGLRDHSBB-UHFFFAOYSA-N 1 2 322.474 2.463 40 0 DEABLO Cc1cnc(C(=O)N2CCC(c3cccc4[nH+]ccn43)CC2)cn1 ZINC000585182448 357339937 /nfs/dbraw/zinc/33/99/37/357339937.db2.gz WDOHIENFFAPEMU-UHFFFAOYSA-N 1 2 321.384 2.453 40 0 DEABLO CO[C@]1(COc2cccc(C)c2)CC[N@H+](Cc2cnc[nH]2)C1 ZINC000585274723 357341550 /nfs/dbraw/zinc/34/15/50/357341550.db2.gz MQPRPNJICBGWAQ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585274723 357341553 /nfs/dbraw/zinc/34/15/53/357341553.db2.gz MQPRPNJICBGWAQ-QGZVFWFLSA-N 1 2 301.390 2.388 40 0 DEABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257304995 203029817 /nfs/dbraw/zinc/02/98/17/203029817.db2.gz SNZBZXXRGRKFKQ-CQSZACIVSA-N 1 2 315.421 2.397 40 0 DEABLO CNc1cc(C)nc([C@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257281249 203009767 /nfs/dbraw/zinc/00/97/67/203009767.db2.gz OOHYGTHOQPUWLO-INIZCTEOSA-N 1 2 300.410 2.071 40 0 DEABLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257315160 203037935 /nfs/dbraw/zinc/03/79/35/203037935.db2.gz VAEPNMJZQXXVQW-AWEZNQCLSA-N 1 2 313.361 2.459 40 0 DEABLO Cc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)no1 ZINC000257315160 203037938 /nfs/dbraw/zinc/03/79/38/203037938.db2.gz VAEPNMJZQXXVQW-AWEZNQCLSA-N 1 2 313.361 2.459 40 0 DEABLO Cc1c[nH]c([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257342722 203064125 /nfs/dbraw/zinc/06/41/25/203064125.db2.gz ZPWMXMUNCVGCOC-LBPRGKRZSA-N 1 2 303.337 2.252 40 0 DEABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072222504 257124236 /nfs/dbraw/zinc/12/42/36/257124236.db2.gz WYKAGMNLQOFDCW-UHFFFAOYSA-N 1 2 307.394 2.251 40 0 DEABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328998599 257231193 /nfs/dbraw/zinc/23/11/93/257231193.db2.gz JTIPRTOKOPMREQ-UHFFFAOYSA-N 1 2 316.430 2.068 40 0 DEABLO O=[P@](Oc1ccccc1)(N1CCCCN1)N1CCCC[NH2+]1 ZINC000003851126 401724809 /nfs/dbraw/zinc/72/48/09/401724809.db2.gz HTAOJYLXHSOJIM-UHFFFAOYSA-N 1 2 310.338 2.374 40 0 DEABLO O=[P@@](Oc1ccccc1)(N1CCCCN1)N1CCCC[NH2+]1 ZINC000003851126 401724812 /nfs/dbraw/zinc/72/48/12/401724812.db2.gz HTAOJYLXHSOJIM-UHFFFAOYSA-N 1 2 310.338 2.374 40 0 DEABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2c(=O)c1C ZINC000012222898 401781808 /nfs/dbraw/zinc/78/18/08/401781808.db2.gz MWDNHJYNTYIWLX-HNNXBMFYSA-N 1 2 323.400 2.436 40 0 DEABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2c(=O)c1C ZINC000012222898 401781811 /nfs/dbraw/zinc/78/18/11/401781811.db2.gz MWDNHJYNTYIWLX-HNNXBMFYSA-N 1 2 323.400 2.436 40 0 DEABLO O=C(COc1ccccc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130239288 401824111 /nfs/dbraw/zinc/82/41/11/401824111.db2.gz XQCFLCSVNBPEPS-OAHLLOKOSA-N 1 2 311.385 2.246 40 0 DEABLO C[C@H](CNC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000025411161 401834516 /nfs/dbraw/zinc/83/45/16/401834516.db2.gz WYWRSQFEKYSKCP-FPCVCCKLSA-N 1 2 304.434 2.404 40 0 DEABLO COC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044784 402049512 /nfs/dbraw/zinc/04/95/12/402049512.db2.gz IDKKNROAWMHTNW-LBPRGKRZSA-N 1 2 307.344 2.444 40 0 DEABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252919 402074920 /nfs/dbraw/zinc/07/49/20/402074920.db2.gz GWQSZSUWELWJBI-IXDOHACOSA-N 1 2 320.408 2.187 40 0 DEABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252919 402074922 /nfs/dbraw/zinc/07/49/22/402074922.db2.gz GWQSZSUWELWJBI-IXDOHACOSA-N 1 2 320.408 2.187 40 0 DEABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1cccnc1)C2 ZINC000100141687 402139947 /nfs/dbraw/zinc/13/99/47/402139947.db2.gz ANWYQHCUDTZENP-UHFFFAOYSA-N 1 2 321.384 2.266 40 0 DEABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1cccnc1)C2 ZINC000100141687 402139949 /nfs/dbraw/zinc/13/99/49/402139949.db2.gz ANWYQHCUDTZENP-UHFFFAOYSA-N 1 2 321.384 2.266 40 0 DEABLO COc1cc(CCC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257221953 402704767 /nfs/dbraw/zinc/70/47/67/402704767.db2.gz DRHBZACOTVMEII-GFCCVEGCSA-N 1 2 304.350 2.011 40 0 DEABLO Nc1cccc([C@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)n1 ZINC000257245806 402708358 /nfs/dbraw/zinc/70/83/58/402708358.db2.gz IRDSBKMTCQIHPK-MRXNPFEDSA-N 1 2 317.364 2.255 40 0 DEABLO Nc1cccc([C@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)n1 ZINC000257245806 402708363 /nfs/dbraw/zinc/70/83/63/402708363.db2.gz IRDSBKMTCQIHPK-MRXNPFEDSA-N 1 2 317.364 2.255 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccnc(Cc3ccccc3)c2)c1 ZINC000257281306 402711533 /nfs/dbraw/zinc/71/15/33/402711533.db2.gz OOOGAFKSHDHRSJ-UHFFFAOYSA-N 1 2 306.369 2.336 40 0 DEABLO COCCC(=O)N1CC[N@H+](C)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257314374 402712325 /nfs/dbraw/zinc/71/23/25/402712325.db2.gz UWQYTBYLQHZAGB-QGZVFWFLSA-N 1 2 320.433 2.325 40 0 DEABLO COCCC(=O)N1CC[N@@H+](C)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257314374 402712327 /nfs/dbraw/zinc/71/23/27/402712327.db2.gz UWQYTBYLQHZAGB-QGZVFWFLSA-N 1 2 320.433 2.325 40 0 DEABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1Cl ZINC000329057307 404214968 /nfs/dbraw/zinc/21/49/68/404214968.db2.gz VXJICQHJSMBMIJ-UHFFFAOYSA-N 1 2 318.808 2.307 40 0 DEABLO CC(C)Nc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000328990958 404192194 /nfs/dbraw/zinc/19/21/94/404192194.db2.gz IQUIRWGDTYILCM-UHFFFAOYSA-N 1 2 320.400 2.210 40 0 DEABLO C[C@@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1cn[nH]c1 ZINC000585097957 405866828 /nfs/dbraw/zinc/86/68/28/405866828.db2.gz PTFBXNGRMCAXTN-CYBMUJFWSA-N 1 2 315.421 2.152 40 0 DEABLO C[C@@H]1c2ncc(CCOCC3CC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097957 405866837 /nfs/dbraw/zinc/86/68/37/405866837.db2.gz PTFBXNGRMCAXTN-CYBMUJFWSA-N 1 2 315.421 2.152 40 0 DEABLO C[C@@H]1c2ncc(CCOCC3CC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097957 405866847 /nfs/dbraw/zinc/86/68/47/405866847.db2.gz PTFBXNGRMCAXTN-CYBMUJFWSA-N 1 2 315.421 2.152 40 0 DEABLO CC[NH+]1CCN(c2nc(C)c3c(n2)CC(C)(C)CC3=O)CC1 ZINC000009287061 279376130 /nfs/dbraw/zinc/37/61/30/279376130.db2.gz WNZJKYABXWEOSN-UHFFFAOYSA-N 1 2 302.422 2.082 40 0 DEABLO Cn1cc(C[N@@H+]2CCn3c(-c4cccc(F)c4)cnc3C2)cn1 ZINC000306131421 231087760 /nfs/dbraw/zinc/08/77/60/231087760.db2.gz KDXGLHXVPAHJRA-UHFFFAOYSA-N 1 2 311.364 2.439 40 0 DEABLO Cn1cc(C[N@H+]2CCn3c(-c4cccc(F)c4)cnc3C2)cn1 ZINC000306131421 231087764 /nfs/dbraw/zinc/08/77/64/231087764.db2.gz KDXGLHXVPAHJRA-UHFFFAOYSA-N 1 2 311.364 2.439 40 0 DEABLO c1coc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)c1 ZINC000328957666 231399371 /nfs/dbraw/zinc/39/93/71/231399371.db2.gz AKOWEFSQQOAUKA-UHFFFAOYSA-N 1 2 307.357 2.162 40 0 DEABLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC000060637599 354619433 /nfs/dbraw/zinc/61/94/33/354619433.db2.gz BSKFOIXOXUZFCY-UHFFFAOYSA-N 1 2 311.385 2.054 40 0 DEABLO CCOC(=O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000073633258 191332946 /nfs/dbraw/zinc/33/29/46/191332946.db2.gz WMLVCAHALABTGN-UHFFFAOYSA-N 1 2 314.426 2.367 40 0 DEABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(N)n1 ZINC000257299705 203022615 /nfs/dbraw/zinc/02/26/15/203022615.db2.gz RRDJGQIYDARMKE-AWEZNQCLSA-N 1 2 300.410 2.393 40 0 DEABLO Nc1cc(N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)[nH+]cn1 ZINC000257298552 203024000 /nfs/dbraw/zinc/02/40/00/203024000.db2.gz RMFLPQIIOFJPGT-AWEZNQCLSA-N 1 2 323.400 2.236 40 0 DEABLO Cc1noc(C)c1-c1cccc(C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000257308474 203032898 /nfs/dbraw/zinc/03/28/98/203032898.db2.gz TWVUNXQPGQIHGF-UHFFFAOYSA-N 1 2 311.345 2.017 40 0 DEABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4n[nH]nc4c3)C2)[nH+]1 ZINC000257281405 203010287 /nfs/dbraw/zinc/01/02/87/203010287.db2.gz OPAHPMPXTVUYIZ-ZDUSSCGKSA-N 1 2 324.388 2.020 40 0 DEABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257289005 203014828 /nfs/dbraw/zinc/01/48/28/203014828.db2.gz PWPFDBFCMLSUAS-GOSISDBHSA-N 1 2 310.401 2.056 40 0 DEABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257289005 203014830 /nfs/dbraw/zinc/01/48/30/203014830.db2.gz PWPFDBFCMLSUAS-GOSISDBHSA-N 1 2 310.401 2.056 40 0 DEABLO Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257318233 203043759 /nfs/dbraw/zinc/04/37/59/203043759.db2.gz VNAVWSSPBHVPQR-IIAWOOMASA-N 1 2 319.430 2.066 40 0 DEABLO Cc1ccc(CC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)s1 ZINC000257341269 203061654 /nfs/dbraw/zinc/06/16/54/203061654.db2.gz ZJPDIDQBSSBNDL-GJZGRUSLSA-N 1 2 319.430 2.020 40 0 DEABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)Cn1cccn1)C2 ZINC000257341932 203064232 /nfs/dbraw/zinc/06/42/32/203064232.db2.gz ZMMBAEIJAQMZPZ-INIZCTEOSA-N 1 2 321.384 2.172 40 0 DEABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccno3)[C@@H](C)C2)c1 ZINC000019575634 182131670 /nfs/dbraw/zinc/13/16/70/182131670.db2.gz DUNQQDJYCYUYLO-ZDUSSCGKSA-N 1 2 315.373 2.030 40 0 DEABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccno3)[C@@H](C)C2)c1 ZINC000019575634 182131672 /nfs/dbraw/zinc/13/16/72/182131672.db2.gz DUNQQDJYCYUYLO-ZDUSSCGKSA-N 1 2 315.373 2.030 40 0 DEABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533421 257137076 /nfs/dbraw/zinc/13/70/76/257137076.db2.gz NEVOSSGFXFRUBG-INIZCTEOSA-N 1 2 310.357 2.440 40 0 DEABLO CCOc1cc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)ccc1OC ZINC000095534453 257137899 /nfs/dbraw/zinc/13/78/99/257137899.db2.gz WVMNLMRAVUTSAL-TZMCWYRMSA-N 1 2 318.377 2.112 40 0 DEABLO Cc1ccc(C2=NO[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]23)cc1 ZINC000072343263 401709392 /nfs/dbraw/zinc/70/93/92/401709392.db2.gz KCKNPCIQBQAPDZ-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO Cc1ccc(C2=NO[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]23)cc1 ZINC000072343263 401709393 /nfs/dbraw/zinc/70/93/93/401709393.db2.gz KCKNPCIQBQAPDZ-SJORKVTESA-N 1 2 308.385 2.328 40 0 DEABLO COc1ccc([C@H](NC(=O)C(C)C)c2[nH+]ccn2C)cc1OC ZINC000012114936 401779272 /nfs/dbraw/zinc/77/92/72/401779272.db2.gz VQOGOLIMSRUWGY-HNNXBMFYSA-N 1 2 317.389 2.299 40 0 DEABLO c1csc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107651 402059174 /nfs/dbraw/zinc/05/91/74/402059174.db2.gz JWYZBQRGIRWSSE-BBRMVZONSA-N 1 2 317.414 2.351 40 0 DEABLO c1csc(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107651 402059177 /nfs/dbraw/zinc/05/91/77/402059177.db2.gz JWYZBQRGIRWSSE-BBRMVZONSA-N 1 2 317.414 2.351 40 0 DEABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533420 402033581 /nfs/dbraw/zinc/03/35/81/402033581.db2.gz NEVOSSGFXFRUBG-MRXNPFEDSA-N 1 2 310.357 2.440 40 0 DEABLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)n1 ZINC000096111920 402060314 /nfs/dbraw/zinc/06/03/14/402060314.db2.gz NPKSZXOMUCGXLP-RDJZCZTQSA-N 1 2 323.396 2.388 40 0 biogenic,in-vitro DEABLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)n1 ZINC000096111920 402060315 /nfs/dbraw/zinc/06/03/15/402060315.db2.gz NPKSZXOMUCGXLP-RDJZCZTQSA-N 1 2 323.396 2.388 40 0 biogenic,in-vitro DEABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096044754 402049925 /nfs/dbraw/zinc/04/99/25/402049925.db2.gz ASXWOIYZHKQYAR-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096044754 402049927 /nfs/dbraw/zinc/04/99/27/402049927.db2.gz ASXWOIYZHKQYAR-AWEZNQCLSA-N 1 2 301.390 2.175 40 0 DEABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)o1 ZINC000096049129 402051293 /nfs/dbraw/zinc/05/12/93/402051293.db2.gz AAZRVBBONAIMEP-GOSISDBHSA-N 1 2 320.433 2.437 40 0 DEABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)o1 ZINC000096049129 402051295 /nfs/dbraw/zinc/05/12/95/402051295.db2.gz AAZRVBBONAIMEP-GOSISDBHSA-N 1 2 320.433 2.437 40 0 DEABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccncc1)C2 ZINC000096060247 402053875 /nfs/dbraw/zinc/05/38/75/402053875.db2.gz MGEKSRFGFALTIG-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096060247 402053876 /nfs/dbraw/zinc/05/38/76/402053876.db2.gz MGEKSRFGFALTIG-MRXNPFEDSA-N 1 2 312.417 2.341 40 0 DEABLO O=C(C1CCOCC1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060989 402055008 /nfs/dbraw/zinc/05/50/08/402055008.db2.gz DFIFYHFEUBFFNZ-UHFFFAOYSA-N 1 2 315.417 2.067 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1ccccn1)CC2 ZINC000096197776 402067278 /nfs/dbraw/zinc/06/72/78/402067278.db2.gz AEXZVOVYIMSFRW-KRWDZBQOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1ccccn1)CC2 ZINC000096197776 402067281 /nfs/dbraw/zinc/06/72/81/402067281.db2.gz AEXZVOVYIMSFRW-KRWDZBQOSA-N 1 2 312.417 2.341 40 0 DEABLO Cn1ccnc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000096199418 402067997 /nfs/dbraw/zinc/06/79/97/402067997.db2.gz NZVOBQBMJGENNQ-INIZCTEOSA-N 1 2 324.428 2.058 40 0 DEABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 ZINC000107251810 402228597 /nfs/dbraw/zinc/22/85/97/402228597.db2.gz VNKAFTOJVMKQEW-HUUCEWRRSA-N 1 2 314.414 2.226 40 0 DEABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 ZINC000107251810 402228600 /nfs/dbraw/zinc/22/86/00/402228600.db2.gz VNKAFTOJVMKQEW-HUUCEWRRSA-N 1 2 314.414 2.226 40 0 DEABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](c2cc[nH]n2)C1 ZINC000257205873 402703350 /nfs/dbraw/zinc/70/33/50/402703350.db2.gz BAXUHFHXYZNUIF-CYBMUJFWSA-N 1 2 309.373 2.084 40 0 DEABLO Cn1c[nH+]c(CNC(=O)c2ccc(Cc3ccccc3)nc2)c1 ZINC000257213561 402703974 /nfs/dbraw/zinc/70/39/74/402703974.db2.gz CIBXHWYTVIBSOI-UHFFFAOYSA-N 1 2 306.369 2.336 40 0 DEABLO CCc1nnsc1C(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257216282 402704464 /nfs/dbraw/zinc/70/44/64/402704464.db2.gz CTVVFQFKDWZMJO-NSHDSACASA-N 1 2 319.434 2.162 40 0 DEABLO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cnn3cccnc23)n1 ZINC000257267864 402710469 /nfs/dbraw/zinc/71/04/69/402710469.db2.gz MJCLRYDSFZPGKR-HNNXBMFYSA-N 1 2 323.404 2.288 40 0 DEABLO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cnn3cccnc23)n1 ZINC000257267864 402710472 /nfs/dbraw/zinc/71/04/72/402710472.db2.gz MJCLRYDSFZPGKR-HNNXBMFYSA-N 1 2 323.404 2.288 40 0 DEABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3ccccc3[nH]2)[nH+]1 ZINC000257341659 402712062 /nfs/dbraw/zinc/71/20/62/402712062.db2.gz ZLIFGFMWAYIUHR-OAHLLOKOSA-N 1 2 310.357 2.413 40 0 DEABLO c1cc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)cs1 ZINC000253598313 402669656 /nfs/dbraw/zinc/66/96/56/402669656.db2.gz HTFPSYHJYDFSKH-AWEZNQCLSA-N 1 2 317.414 2.351 40 0 DEABLO CCc1ccc(CS(=O)(=O)N2CCOc3cc[nH+]cc32)cc1 ZINC000274344455 403046981 /nfs/dbraw/zinc/04/69/81/403046981.db2.gz CCQDTNHYEOOOBL-UHFFFAOYSA-N 1 2 318.398 2.373 40 0 DEABLO C[C@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328970697 424902679 /nfs/dbraw/zinc/90/26/79/424902679.db2.gz DLEJITMBIXSKHA-SNVBAGLBSA-N 1 2 302.353 3.029 40 0 DEABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328964171 424903044 /nfs/dbraw/zinc/90/30/44/424903044.db2.gz BTPAQZVEIVWISI-HNNXBMFYSA-N 1 2 315.421 2.788 40 0 DEABLO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CO2)COCC[NH2+]1 ZINC000306145556 277204680 /nfs/dbraw/zinc/20/46/80/277204680.db2.gz IKCCJBLJCJTKJC-INIZCTEOSA-N 1 2 306.362 2.241 40 0 DEABLO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242614852 295244193 /nfs/dbraw/zinc/24/41/93/295244193.db2.gz PKPMAWHLBJUYDN-PWSUYJOCSA-N 1 2 302.296 2.112 40 0 DEABLO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242614852 295244194 /nfs/dbraw/zinc/24/41/94/295244194.db2.gz PKPMAWHLBJUYDN-PWSUYJOCSA-N 1 2 302.296 2.112 40 0 DEABLO