smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CC[NH2+][C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000072352836 191129393 /nfs/dbraw/zinc/12/93/93/191129393.db2.gz FJIQNSGLSFQUBT-IBGZPJMESA-N 1 1 308.425 3.107 40 0 DGABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000072363453 191131718 /nfs/dbraw/zinc/13/17/18/191131718.db2.gz BWUWOQYDXHSMFZ-HNNXBMFYSA-N 1 1 312.421 3.112 40 0 DGABMO Cc1csc(C2CCN(C(=O)[C@]3(C)CCCC[N@@H+]3C)CC2)n1 ZINC000072367312 191137547 /nfs/dbraw/zinc/13/75/47/191137547.db2.gz VOMCGPWXMFWPMR-KRWDZBQOSA-N 1 1 321.490 3.032 40 0 DGABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378642 191140764 /nfs/dbraw/zinc/14/07/64/191140764.db2.gz UANVUJILONMTSA-SFHVURJKSA-N 1 1 319.412 3.308 40 0 DGABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378647 191141828 /nfs/dbraw/zinc/14/18/28/191141828.db2.gz ADTPQXILKPSZKF-QGZVFWFLSA-N 1 1 323.375 3.139 40 0 DGABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378647 191141829 /nfs/dbraw/zinc/14/18/29/191141829.db2.gz ADTPQXILKPSZKF-QGZVFWFLSA-N 1 1 323.375 3.139 40 0 DGABMO CC(C)(C)c1cc(CC2([NH2+]Cc3ccc(F)cc3)COC2)no1 ZINC000067897841 432045364 /nfs/dbraw/zinc/04/53/64/432045364.db2.gz BYEACUFMIHINAK-UHFFFAOYSA-N 1 1 318.392 3.213 40 0 biogenic,in-vitro DGABMO COCC[N@@H+]1CCCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000257301254 203026166 /nfs/dbraw/zinc/02/61/66/203026166.db2.gz RXRIFQXDUZEBCI-CQSZACIVSA-N 1 1 318.446 3.455 40 0 DGABMO COCC[N@H+]1CCCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000257301254 203026170 /nfs/dbraw/zinc/02/61/70/203026170.db2.gz RXRIFQXDUZEBCI-CQSZACIVSA-N 1 1 318.446 3.455 40 0 DGABMO CC(C)Oc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000257300384 203026512 /nfs/dbraw/zinc/02/65/12/203026512.db2.gz RUBRXWIBYFWSIW-MRXNPFEDSA-N 1 1 320.433 3.355 40 0 DGABMO Cc1nc(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257305315 203029132 /nfs/dbraw/zinc/02/91/32/203029132.db2.gz SPKBGIJJTSWRRP-ZDUSSCGKSA-N 1 1 313.430 3.102 40 0 DGABMO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000257288365 203013264 /nfs/dbraw/zinc/01/32/64/203013264.db2.gz PTXSQYRUBCOKCK-OAHLLOKOSA-N 1 1 323.444 3.060 40 0 DGABMO Cc1cn(C)c([C@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000257290861 203015443 /nfs/dbraw/zinc/01/54/43/203015443.db2.gz QEQDGDHFGLXQHD-LJQANCHMSA-N 1 1 321.424 3.455 40 0 DGABMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](c3ccnc(NC)c3)C2)[nH]1 ZINC000257329398 203053319 /nfs/dbraw/zinc/05/33/19/203053319.db2.gz XJVHALPHGWBKLC-OAHLLOKOSA-N 1 1 313.449 3.097 40 0 DGABMO CCCCc1ncc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257321576 203045441 /nfs/dbraw/zinc/04/54/41/203045441.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 1 1 301.438 3.163 40 0 DGABMO CCCCc1nc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257321576 203045444 /nfs/dbraw/zinc/04/54/44/203045444.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 1 1 301.438 3.163 40 0 DGABMO CCCCc1nc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257321576 203045446 /nfs/dbraw/zinc/04/54/46/203045446.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 1 1 301.438 3.163 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323836 203046742 /nfs/dbraw/zinc/04/67/42/203046742.db2.gz WMANCZHUPGBMJU-HNNXBMFYSA-N 1 1 321.428 3.255 40 0 DGABMO c1cc(C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]n1 ZINC000257323836 203046744 /nfs/dbraw/zinc/04/67/44/203046744.db2.gz WMANCZHUPGBMJU-HNNXBMFYSA-N 1 1 321.428 3.255 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]n1 ZINC000257323836 203046746 /nfs/dbraw/zinc/04/67/46/203046746.db2.gz WMANCZHUPGBMJU-HNNXBMFYSA-N 1 1 321.428 3.255 40 0 DGABMO Cc1csc(Nc2cc([C@@H]3CC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257324810 203049057 /nfs/dbraw/zinc/04/90/57/203049057.db2.gz WQGYILAFOXRWSV-CYBMUJFWSA-N 1 1 317.462 3.491 40 0 DGABMO CCOC[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093838873 193314411 /nfs/dbraw/zinc/31/44/11/193314411.db2.gz YQITYADVKKDJCA-KRWDZBQOSA-N 1 1 313.445 3.348 40 0 DGABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340985 182117172 /nfs/dbraw/zinc/11/71/72/182117172.db2.gz KXMJBUKKFGONFI-HNNXBMFYSA-N 1 1 324.359 3.260 40 0 DGABMO CCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@H+]2C ZINC000019501682 182126282 /nfs/dbraw/zinc/12/62/82/182126282.db2.gz NFKQSANNJGNMJN-JFIYKMOQSA-N 1 1 304.409 3.014 40 0 DGABMO Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2)n1 ZINC000019574817 182131624 /nfs/dbraw/zinc/13/16/24/182131624.db2.gz CDDJIMDNYZXHOL-YLJYHZDGSA-N 1 1 324.472 3.158 40 0 DGABMO COc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020108100 182187460 /nfs/dbraw/zinc/18/74/60/182187460.db2.gz PFGNBZOWZLJXAM-UHFFFAOYSA-N 1 1 321.380 3.119 40 0 DGABMO O=C(N1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2)CC1 ZINC000023239265 182353539 /nfs/dbraw/zinc/35/35/39/182353539.db2.gz ZHCFWJIJKYCMDL-UHFFFAOYSA-N 1 1 320.436 3.063 40 0 DGABMO CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832144 183011294 /nfs/dbraw/zinc/01/12/94/183011294.db2.gz VLZREVRCEJWCTL-LLVKDONJSA-N 1 1 315.244 3.342 40 0 DGABMO CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832144 183011297 /nfs/dbraw/zinc/01/12/97/183011297.db2.gz VLZREVRCEJWCTL-LLVKDONJSA-N 1 1 315.244 3.342 40 0 DGABMO COc1ccccc1C[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000057811331 184055718 /nfs/dbraw/zinc/05/57/18/184055718.db2.gz DHOOCONXZPWIQD-SFHVURJKSA-N 1 1 312.413 3.271 40 0 DGABMO COc1ccccc1C[N@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000057811331 184055720 /nfs/dbraw/zinc/05/57/20/184055720.db2.gz DHOOCONXZPWIQD-SFHVURJKSA-N 1 1 312.413 3.271 40 0 DGABMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000058817453 184129194 /nfs/dbraw/zinc/12/91/94/184129194.db2.gz YKMFWMIDBMQYLG-INIZCTEOSA-N 1 1 318.461 3.050 40 0 DGABMO Cn1c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)nc2ccccc21 ZINC000157023682 197156559 /nfs/dbraw/zinc/15/65/59/197156559.db2.gz TZYYPKNPMAAVFZ-CYBMUJFWSA-N 1 1 312.442 3.409 40 0 DGABMO Cn1c(C[N@H+]2CCC[C@@H](c3nccs3)C2)nc2ccccc21 ZINC000157023682 197156561 /nfs/dbraw/zinc/15/65/61/197156561.db2.gz TZYYPKNPMAAVFZ-CYBMUJFWSA-N 1 1 312.442 3.409 40 0 DGABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072228174 257121587 /nfs/dbraw/zinc/12/15/87/257121587.db2.gz XXGSLTJRFBSTIB-LSDHHAIUSA-N 1 1 321.207 3.404 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1C ZINC000072227864 257122337 /nfs/dbraw/zinc/12/23/37/257122337.db2.gz ZPDUVLYBGIBTJN-HZPDHXFCSA-N 1 1 300.789 3.372 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227387 257122347 /nfs/dbraw/zinc/12/23/47/257122347.db2.gz WEWPEWXTXJDILC-KBPBESRZSA-N 1 1 306.287 3.121 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227253 257122397 /nfs/dbraw/zinc/12/23/97/257122397.db2.gz PAQYZYLXTHVVGF-KGLIPLIRSA-N 1 1 324.277 3.260 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000072227117 257122576 /nfs/dbraw/zinc/12/25/76/257122576.db2.gz VROHEIWMFYHSQD-RYUDHWBXSA-N 1 1 312.316 3.182 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000072227497 257122767 /nfs/dbraw/zinc/12/27/67/257122767.db2.gz SHUHHFLSHVCXGV-KGLIPLIRSA-N 1 1 306.287 3.121 40 0 DGABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1F ZINC000004565101 400085148 /nfs/dbraw/zinc/08/51/48/400085148.db2.gz UQVPRKDTEWEKHO-BLLLJJGKSA-N 1 1 309.356 3.386 40 0 DGABMO c1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)cc1 ZINC000585103490 400126192 /nfs/dbraw/zinc/12/61/92/400126192.db2.gz XJUONBFSHDDQRY-GOSISDBHSA-N 1 1 301.430 3.094 40 0 DGABMO NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)s1 ZINC000585180162 400130368 /nfs/dbraw/zinc/13/03/68/400130368.db2.gz ZWDFTKFKYRZQMT-AWEZNQCLSA-N 1 1 315.442 3.012 40 0 DGABMO NC(=O)c1cnc([C@@H]2CCCC[N@H+]2CCc2ccccc2)s1 ZINC000585180162 400130373 /nfs/dbraw/zinc/13/03/73/400130373.db2.gz ZWDFTKFKYRZQMT-AWEZNQCLSA-N 1 1 315.442 3.012 40 0 DGABMO NC(=O)c1cnc([C@H]2CCCC[N@@H+]2CCc2ccccc2)s1 ZINC000585180163 400130602 /nfs/dbraw/zinc/13/06/02/400130602.db2.gz ZWDFTKFKYRZQMT-CQSZACIVSA-N 1 1 315.442 3.012 40 0 DGABMO NC(=O)c1cnc([C@H]2CCCC[N@H+]2CCc2ccccc2)s1 ZINC000585180163 400130606 /nfs/dbraw/zinc/13/06/06/400130606.db2.gz ZWDFTKFKYRZQMT-CQSZACIVSA-N 1 1 315.442 3.012 40 0 DGABMO COc1ccc2c(c1)C[N@@H+](C1CCCC1)CC[C@H]1COC(=O)N21 ZINC000225492002 286399025 /nfs/dbraw/zinc/39/90/25/286399025.db2.gz JOEQEOIELNWOOK-HNNXBMFYSA-N 1 1 316.401 3.169 40 0 biogenic,in-vitro DGABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191361 287152909 /nfs/dbraw/zinc/15/29/09/287152909.db2.gz RJJBZKVBRLYUMB-GJZGRUSLSA-N 1 1 319.449 3.379 40 0 DGABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000129212697 196029314 /nfs/dbraw/zinc/02/93/14/196029314.db2.gz ADNWZGXHODXRNS-AWEZNQCLSA-N 1 1 302.418 3.288 40 0 DGABMO c1ccc(CN2C[C@@]3(CC[N@H+](CC4CC4)C3)c3ncccc32)cc1 ZINC000306138955 275067016 /nfs/dbraw/zinc/06/70/16/275067016.db2.gz SLRUUDTYFCSXFC-NRFANRHFSA-N 1 1 319.452 3.455 40 0 DGABMO c1coc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306125080 275074727 /nfs/dbraw/zinc/07/47/27/275074727.db2.gz CGJWHTIQXRFTRA-DLBZAZTESA-N 1 1 319.408 3.447 40 0 DGABMO Cc1cc(N2CC[NH2+]CC2)c2cc(Br)cc(C)c2n1 ZINC000068136538 431113920 /nfs/dbraw/zinc/11/39/20/431113920.db2.gz LJKQVBHDVHPKPS-UHFFFAOYSA-N 1 1 320.234 3.024 40 0 DGABMO C[C@@H]1Cc2cc(C[N@H+](C)Cc3[nH]nc4c3CCCC4)ccc2O1 ZINC000012147161 431493483 /nfs/dbraw/zinc/49/34/83/431493483.db2.gz KBBWVRMCEDHYCT-CYBMUJFWSA-N 1 1 311.429 3.244 40 0 DGABMO C[C@@H]1Cc2cc(C[N@@H+](C)Cc3[nH]nc4c3CCCC4)ccc2O1 ZINC000012147161 431493491 /nfs/dbraw/zinc/49/34/91/431493491.db2.gz KBBWVRMCEDHYCT-CYBMUJFWSA-N 1 1 311.429 3.244 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337384 431504407 /nfs/dbraw/zinc/50/44/07/431504407.db2.gz LMAXCHXFKRBXBQ-GOSISDBHSA-N 1 1 306.413 3.348 40 0 DGABMO C[C@@H]1Cc2cc(C[N@@H+](CCO)Cc3cccs3)ccc2O1 ZINC000013997574 431575928 /nfs/dbraw/zinc/57/59/28/431575928.db2.gz IOGZJUJPPLVYTQ-CYBMUJFWSA-N 1 1 303.427 3.066 40 0 DGABMO C[C@H]1C[C@H](CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570623 431682523 /nfs/dbraw/zinc/68/25/23/431682523.db2.gz NIUIYONNBJSBMH-USXIJHARSA-N 1 1 306.494 3.439 40 0 DGABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccn2)o1 ZINC000036740251 431840580 /nfs/dbraw/zinc/84/05/80/431840580.db2.gz OUKLDDMBUDKENB-UHFFFAOYSA-N 1 1 310.401 3.272 40 0 DGABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccn2)o1 ZINC000036740251 431840581 /nfs/dbraw/zinc/84/05/81/431840581.db2.gz OUKLDDMBUDKENB-UHFFFAOYSA-N 1 1 310.401 3.272 40 0 DGABMO c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046944 431934947 /nfs/dbraw/zinc/93/49/47/431934947.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 1 1 311.429 3.163 40 0 DGABMO c1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)co1 ZINC000096046944 431934949 /nfs/dbraw/zinc/93/49/49/431934949.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 1 1 311.429 3.163 40 0 DGABMO c1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)co1 ZINC000096046944 431934950 /nfs/dbraw/zinc/93/49/50/431934950.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 1 1 311.429 3.163 40 0 DGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@@H]32)o1 ZINC000096055355 431936550 /nfs/dbraw/zinc/93/65/50/431936550.db2.gz RAZHYSOHYBRNIU-BPQIPLTHSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@@H]32)o1 ZINC000096055355 431936552 /nfs/dbraw/zinc/93/65/52/431936552.db2.gz RAZHYSOHYBRNIU-BPQIPLTHSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1ccc(C[N@@H+]2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057100 431936662 /nfs/dbraw/zinc/93/66/62/431936662.db2.gz CWKCCUZSYJXKDZ-JQHSSLGASA-N 1 1 320.502 3.132 40 0 DGABMO Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057100 431936663 /nfs/dbraw/zinc/93/66/63/431936663.db2.gz CWKCCUZSYJXKDZ-JQHSSLGASA-N 1 1 320.502 3.132 40 0 DGABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049169856 431937085 /nfs/dbraw/zinc/93/70/85/431937085.db2.gz AUOXZKIMOASVKF-KRWDZBQOSA-N 1 1 320.396 3.045 40 0 biogenic,in-vitro DGABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccs2)N1c1ccsc1 ZINC000096055725 431937150 /nfs/dbraw/zinc/93/71/50/431937150.db2.gz TZISFZMYWHDBRZ-UONOGXRCSA-N 1 1 304.440 3.189 40 0 DGABMO CC[C@H](C)[N@H+]1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096083708 431937645 /nfs/dbraw/zinc/93/76/45/431937645.db2.gz UDWVXMIVRNHUPV-AWEZNQCLSA-N 1 1 317.481 3.054 40 0 DGABMO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000096080586 431938127 /nfs/dbraw/zinc/93/81/27/431938127.db2.gz NCQOZIOIVVPREH-AEFFLSMTSA-N 1 1 307.397 3.035 40 0 DGABMO c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107800 431938897 /nfs/dbraw/zinc/93/88/97/431938897.db2.gz KVFIAGLMNOHSFL-UXHICEINSA-N 1 1 324.424 3.032 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1Cc1ccccc1 ZINC000096110151 431939089 /nfs/dbraw/zinc/93/90/89/431939089.db2.gz XPPWZDFPNOPESY-JKSUJKDBSA-N 1 1 302.443 3.223 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110153 431939246 /nfs/dbraw/zinc/93/92/46/431939246.db2.gz QYEQQIZEIILARP-AZUAARDMSA-N 1 1 310.441 3.470 40 0 DGABMO CC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000096158517 431940791 /nfs/dbraw/zinc/94/07/91/431940791.db2.gz CZDNHWQKKZPORB-UHFFFAOYSA-N 1 1 300.446 3.220 40 0 DGABMO COC[C@@H]1Cn2cncc2C[N@@H+](Cc2cccc3ccccc32)C1 ZINC000096217326 431942260 /nfs/dbraw/zinc/94/22/60/431942260.db2.gz USXTUELYOGRYDB-INIZCTEOSA-N 1 1 321.424 3.315 40 0 DGABMO O=C(Cc1cccs1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096227897 431942847 /nfs/dbraw/zinc/94/28/47/431942847.db2.gz IRTGMFRRQNTVCA-UHFFFAOYSA-N 1 1 318.486 3.158 40 0 DGABMO CCOC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@H+]1C ZINC000096216232 431942869 /nfs/dbraw/zinc/94/28/69/431942869.db2.gz UFAJMXHXEJEEKO-MRXNPFEDSA-N 1 1 308.491 3.213 40 0 DGABMO CCOC[C@@H]1CCC2(CCN(Cc3cccs3)CC2)[N@H+]1C ZINC000096208833 431943169 /nfs/dbraw/zinc/94/31/69/431943169.db2.gz RNDKXIHORHBUDN-HNNXBMFYSA-N 1 1 308.491 3.213 40 0 DGABMO CC(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248690 431943359 /nfs/dbraw/zinc/94/33/59/431943359.db2.gz ZYNICZSJINQBDR-MOPGFXCFSA-N 1 1 302.462 3.103 40 0 DGABMO c1cc2n(c1)[C@@H](COCc1ccncc1)C[N@H+](C1CCCC1)C2 ZINC000253597003 432400478 /nfs/dbraw/zinc/40/04/78/432400478.db2.gz YWRHZPNJQDUTDP-LJQANCHMSA-N 1 1 311.429 3.399 40 0 DGABMO CCn1cc(C[N@H+]2CCC[C@@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214606 432417913 /nfs/dbraw/zinc/41/79/13/432417913.db2.gz CMPPTYRIABPXPX-KRWDZBQOSA-N 1 1 312.461 3.370 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)n1 ZINC000257209392 432417972 /nfs/dbraw/zinc/41/79/72/432417972.db2.gz BQECITBXRFDPKL-LBPRGKRZSA-N 1 1 303.435 3.103 40 0 DGABMO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257231720 432420980 /nfs/dbraw/zinc/42/09/80/432420980.db2.gz GHYCABMBROEQIC-IBGZPJMESA-N 1 1 321.424 3.455 40 0 DGABMO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257231720 432420982 /nfs/dbraw/zinc/42/09/82/432420982.db2.gz GHYCABMBROEQIC-IBGZPJMESA-N 1 1 321.424 3.455 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232314 432421104 /nfs/dbraw/zinc/42/11/04/432421104.db2.gz GKIILHVYIYFKAB-OAHLLOKOSA-N 1 1 309.413 3.140 40 0 DGABMO c1cc(C[C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257232314 432421106 /nfs/dbraw/zinc/42/11/06/432421106.db2.gz GKIILHVYIYFKAB-OAHLLOKOSA-N 1 1 309.413 3.140 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257232314 432421109 /nfs/dbraw/zinc/42/11/09/432421109.db2.gz GKIILHVYIYFKAB-OAHLLOKOSA-N 1 1 309.413 3.140 40 0 DGABMO COc1cccc(F)c1C[N@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257242516 432423452 /nfs/dbraw/zinc/42/34/52/432423452.db2.gz ICWXSMLTVGHYPI-CQSZACIVSA-N 1 1 315.392 3.231 40 0 DGABMO c1ccc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc1 ZINC000257268562 432425033 /nfs/dbraw/zinc/42/50/33/432425033.db2.gz MMGASCKGCDGIOG-IBGZPJMESA-N 1 1 305.381 3.203 40 0 DGABMO c1ccc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc1 ZINC000257268562 432425036 /nfs/dbraw/zinc/42/50/36/432425036.db2.gz MMGASCKGCDGIOG-IBGZPJMESA-N 1 1 305.381 3.203 40 0 DGABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100487 547024629 /nfs/dbraw/zinc/02/46/29/547024629.db2.gz LFXAFCKPDJBALY-KRWDZBQOSA-N 1 1 321.490 3.290 40 0 DGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000585094658 547025309 /nfs/dbraw/zinc/02/53/09/547025309.db2.gz RDCGNSUURVQFRF-MRXNPFEDSA-N 1 1 302.393 3.296 40 0 DGABMO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)cc2)oc1C ZINC000006500432 1193317615 /nfs/dbraw/zinc/31/76/15/1193317615.db2.gz JEJGRYBUIYRIMA-OAHLLOKOSA-N 1 1 313.401 3.239 40 0 DGABMO O[C@](CC[NH+]1CCOCC1)(c1ccc(Cl)cc1)C1CCCC1 ZINC000026958549 1193865093 /nfs/dbraw/zinc/86/50/93/1193865093.db2.gz ADCAHIAYVYLHND-SFHVURJKSA-N 1 1 323.864 3.440 40 0 DGABMO CCOCC[C@H]1CCOC12C[NH+](Cc1cccc3[nH]ccc31)C2 ZINC000253382187 186302606 /nfs/dbraw/zinc/30/26/06/186302606.db2.gz HFHCJNAIIPSFNM-INIZCTEOSA-N 1 1 314.429 3.185 40 0 DGABMO c1cn(-c2nccnc2[C@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000072350476 191127811 /nfs/dbraw/zinc/12/78/11/191127811.db2.gz ZJAUAOZWWIGJQU-HNNXBMFYSA-N 1 1 311.433 3.174 40 0 DGABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072350473 191127117 /nfs/dbraw/zinc/12/71/17/191127117.db2.gz RISBGLGIOYKMHN-OAHLLOKOSA-N 1 1 311.433 3.093 40 0 DGABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072369937 191138872 /nfs/dbraw/zinc/13/88/72/191138872.db2.gz AHSSVUYRGYPCND-MRXNPFEDSA-N 1 1 320.396 3.430 40 0 DGABMO CC[N@@H+]1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 ZINC000072383490 191144056 /nfs/dbraw/zinc/14/40/56/191144056.db2.gz GYPPDBIYWZRAKB-GFCCVEGCSA-N 1 1 303.435 3.450 40 0 DGABMO CC[N@H+]1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 ZINC000072383490 191144058 /nfs/dbraw/zinc/14/40/58/191144058.db2.gz GYPPDBIYWZRAKB-GFCCVEGCSA-N 1 1 303.435 3.450 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389909 191148117 /nfs/dbraw/zinc/14/81/17/191148117.db2.gz VYVVFJQQLZNVQE-KRWDZBQOSA-N 1 1 320.396 3.430 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389910 191148275 /nfs/dbraw/zinc/14/82/75/191148275.db2.gz VYVVFJQQLZNVQE-QGZVFWFLSA-N 1 1 320.396 3.430 40 0 DGABMO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000107249647 432029288 /nfs/dbraw/zinc/02/92/88/432029288.db2.gz NBHPFSUAVZIGRN-IEBWSBKVSA-N 1 1 321.424 3.343 40 0 DGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)co1 ZINC000107711929 432037726 /nfs/dbraw/zinc/03/77/26/432037726.db2.gz IIGWTLYDUWSVMC-ROUUACIJSA-N 1 1 305.418 3.077 40 0 DGABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000004597868 181128474 /nfs/dbraw/zinc/12/84/74/181128474.db2.gz CANUBXZJGLXAEB-CZUORRHYSA-N 1 1 309.356 3.386 40 0 DGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328908 203052217 /nfs/dbraw/zinc/05/22/17/203052217.db2.gz XHOFEHVCWWOSRI-KRWDZBQOSA-N 1 1 319.412 3.165 40 0 DGABMO Cc1nc(Nc2cc([C@@H]3CC[N@H+](C)C3)nc(C)n2)sc1C ZINC000257317666 203040130 /nfs/dbraw/zinc/04/01/30/203040130.db2.gz VKRLCHMQHPJEKR-GFCCVEGCSA-N 1 1 303.435 3.021 40 0 DGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cccc(OC)c2)n1 ZINC000257341086 203063344 /nfs/dbraw/zinc/06/33/44/203063344.db2.gz ZIUJHZZJDALZEH-QGZVFWFLSA-N 1 1 312.417 3.254 40 0 DGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)nc1 ZINC000019215967 182108328 /nfs/dbraw/zinc/10/83/28/182108328.db2.gz MPXJSXWLSZMOCY-NSHGMRRFSA-N 1 1 314.473 3.500 40 0 DGABMO Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2)n1 ZINC000019574805 182131249 /nfs/dbraw/zinc/13/12/49/182131249.db2.gz CDDJIMDNYZXHOL-FXAWDEMLSA-N 1 1 324.472 3.158 40 0 DGABMO Cc1nn(C)cc1-c1cncn1CCCn1cc[nH+]c1C(C)C ZINC000019719509 182138234 /nfs/dbraw/zinc/13/82/34/182138234.db2.gz PWURMAOQGODSMD-UHFFFAOYSA-N 1 1 312.421 3.002 40 0 DGABMO CCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832145 183010860 /nfs/dbraw/zinc/01/08/60/183010860.db2.gz VLZREVRCEJWCTL-NSHDSACASA-N 1 1 315.244 3.342 40 0 DGABMO CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832145 183010863 /nfs/dbraw/zinc/01/08/63/183010863.db2.gz VLZREVRCEJWCTL-NSHDSACASA-N 1 1 315.244 3.342 40 0 DGABMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832389 183011327 /nfs/dbraw/zinc/01/13/27/183011327.db2.gz KTYVTJHAIHZVQH-OAHLLOKOSA-N 1 1 308.853 3.324 40 0 DGABMO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832767 183011625 /nfs/dbraw/zinc/01/16/25/183011625.db2.gz YSBZUCBAAFRCEM-LJQANCHMSA-N 1 1 308.425 3.215 40 0 DGABMO Cn1c(C[N@@H+]2CCC[C@H](c3nccs3)C2)nc2ccccc21 ZINC000157023549 197156684 /nfs/dbraw/zinc/15/66/84/197156684.db2.gz TZYYPKNPMAAVFZ-ZDUSSCGKSA-N 1 1 312.442 3.409 40 0 DGABMO Cn1c(C[N@H+]2CCC[C@H](c3nccs3)C2)nc2ccccc21 ZINC000157023549 197156686 /nfs/dbraw/zinc/15/66/86/197156686.db2.gz TZYYPKNPMAAVFZ-ZDUSSCGKSA-N 1 1 312.442 3.409 40 0 DGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)cc1 ZINC000072228028 257122581 /nfs/dbraw/zinc/12/25/81/257122581.db2.gz UURKZQICIKUXMP-HZPDHXFCSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl ZINC000072227971 257122881 /nfs/dbraw/zinc/12/28/81/257122881.db2.gz CCUIYCTZMBUXPJ-KBPBESRZSA-N 1 1 307.180 3.409 40 0 DGABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219363 257124375 /nfs/dbraw/zinc/12/43/75/257124375.db2.gz GCVZFSHFJBDAMU-GOSISDBHSA-N 1 1 317.477 3.410 40 0 DGABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219419 257124432 /nfs/dbraw/zinc/12/44/32/257124432.db2.gz FPQLCYJHPRPCBE-KRWDZBQOSA-N 1 1 303.450 3.164 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216212 257125404 /nfs/dbraw/zinc/12/54/04/257125404.db2.gz NEYRVEFZNJBIQE-IBGZPJMESA-N 1 1 323.440 3.255 40 0 DGABMO Brc1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443334 257129924 /nfs/dbraw/zinc/12/99/24/257129924.db2.gz VRYMDAKGUVNNDJ-NSHDSACASA-N 1 1 308.179 3.314 40 0 DGABMO O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000253616007 257104857 /nfs/dbraw/zinc/10/48/57/257104857.db2.gz MHLMBYWVPBTMRI-ZVDOUQERSA-N 1 1 320.436 3.323 40 0 DGABMO c1cc2n(n1)[C@@H](CCOc1cccnc1)C[N@H+](C1CCCC1)C2 ZINC000253588908 257233300 /nfs/dbraw/zinc/23/33/00/257233300.db2.gz YQVLHDWEXDBJMI-KRWDZBQOSA-N 1 1 312.417 3.047 40 0 DGABMO c1cc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)cs1 ZINC000585105473 400125458 /nfs/dbraw/zinc/12/54/58/400125458.db2.gz XGAQHDYDPRTUSL-HNNXBMFYSA-N 1 1 318.467 3.282 40 0 DGABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](C(C)C)C[C@@H]32)o1 ZINC000585109779 400126071 /nfs/dbraw/zinc/12/60/71/400126071.db2.gz SXQGERGXYMOJKF-JENIJYKNSA-N 1 1 324.424 3.497 40 0 DGABMO C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccccn1 ZINC000585108943 400126153 /nfs/dbraw/zinc/12/61/53/400126153.db2.gz GZOCEMXSAOCPQS-SNRMKQJTSA-N 1 1 321.424 3.018 40 0 DGABMO CC[NH+]1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000023227792 400208569 /nfs/dbraw/zinc/20/85/69/400208569.db2.gz SASJVNGZMRGLET-UHFFFAOYSA-N 1 1 302.462 3.081 40 0 DGABMO CC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000001469910 431229742 /nfs/dbraw/zinc/22/97/42/431229742.db2.gz ZZOZLKXQFLFSQC-KRWDZBQOSA-N 1 1 303.377 3.088 40 0 DGABMO CCCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012170196 431493993 /nfs/dbraw/zinc/49/39/93/431493993.db2.gz WZKBTNVVFFZMCN-JZXOWHBKSA-N 1 1 305.462 3.357 40 0 DGABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000012183916 431496344 /nfs/dbraw/zinc/49/63/44/431496344.db2.gz WQLWTTFVLMBDGE-CYBMUJFWSA-N 1 1 314.410 3.493 40 0 DGABMO COc1cc2c(cc1C[N@@H+](CCO)Cc1cccs1)CCC2 ZINC000013997569 431577309 /nfs/dbraw/zinc/57/73/09/431577309.db2.gz JXEHDLBSNBOJLK-UHFFFAOYSA-N 1 1 317.454 3.240 40 0 DGABMO Clc1ccc(-n2nnnc2/C=C/[NH+]2CCCCCC2)cc1 ZINC000016429776 431614088 /nfs/dbraw/zinc/61/40/88/431614088.db2.gz ZTCAWPIOONCWCL-FMIVXFBMSA-N 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/nfs/dbraw/zinc/93/55/15/431935515.db2.gz WOVQBMJDOQRWCG-MJGOQNOKSA-N 1 1 315.461 3.227 40 0 DGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050559 431935735 /nfs/dbraw/zinc/93/57/35/431935735.db2.gz HBGXOYYQNHVLJF-FQEVSTJZSA-N 1 1 324.424 3.213 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)o1 ZINC000096056616 431936517 /nfs/dbraw/zinc/93/65/17/431936517.db2.gz TWNRZEKHTSZFFF-QZTJIDSGSA-N 1 1 310.397 3.358 40 0 DGABMO CC(C)OCc1ncn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096059042 431936569 /nfs/dbraw/zinc/93/65/69/431936569.db2.gz OUBJRKQUICKLCV-UHFFFAOYSA-N 1 1 305.447 3.276 40 0 DGABMO CC(C)OCc1ncn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096059042 431936571 /nfs/dbraw/zinc/93/65/71/431936571.db2.gz OUBJRKQUICKLCV-UHFFFAOYSA-N 1 1 305.447 3.276 40 0 DGABMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1c1ccsc1 ZINC000096055731 431936731 /nfs/dbraw/zinc/93/67/31/431936731.db2.gz WJQCFYLJDSIQQN-JKSUJKDBSA-N 1 1 316.401 3.267 40 0 DGABMO 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432688645 /nfs/dbraw/zinc/68/86/45/432688645.db2.gz STTOTRGXICYGMA-GFCCVEGCSA-N 1 1 301.390 3.068 40 0 DGABMO Cc1cc(C)c2c(n[nH]c2N[C@@H](C)C2CCC(C[NH3+])CC2)n1 ZINC000257264490 301207275 /nfs/dbraw/zinc/20/72/75/301207275.db2.gz LUPSTFAMEUUQQA-HSBZDZAISA-N 1 1 301.438 3.140 40 0 DGABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1CCF ZINC000585100259 547025320 /nfs/dbraw/zinc/02/53/20/547025320.db2.gz JDDNHNMYXSBGJQ-GOSISDBHSA-N 1 1 322.399 3.142 40 0 DGABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cccc(F)c1C(F)(F)F ZINC000199831734 563516217 /nfs/dbraw/zinc/51/62/17/563516217.db2.gz WGMCWXSVOQYLPY-JTQLQIEISA-N 1 1 307.287 3.056 40 0 DGABMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(F)ccc1F ZINC000256052247 575207575 /nfs/dbraw/zinc/20/75/75/575207575.db2.gz MNYVZGXJNYNBQT-UHFFFAOYSA-N 1 1 305.250 3.007 40 0 DGABMO CCOC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC000138499199 1177370072 /nfs/dbraw/zinc/37/00/72/1177370072.db2.gz BWWLLGQSYULNNY-UONOGXRCSA-N 1 1 311.372 3.342 40 0 DGABMO O[C@@](CC[NH+]1CCOCC1)(c1ccc(Cl)cc1)C1CCCC1 ZINC000026958556 1193865475 /nfs/dbraw/zinc/86/54/75/1193865475.db2.gz ADCAHIAYVYLHND-GOSISDBHSA-N 1 1 323.864 3.440 40 0 DGABMO CC(C)CC[N@H+]1CCC[C@@H](OCCc2noc(C3CC3)n2)C1 ZINC001772495017 1197720173 /nfs/dbraw/zinc/72/01/73/1197720173.db2.gz GZSJBKVDIODTFI-OAHLLOKOSA-N 1 1 307.438 3.017 40 0 DGABMO c1cc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133952 231088634 /nfs/dbraw/zinc/08/86/34/231088634.db2.gz NAFLIOPQGUPNNO-ROUUACIJSA-N 1 1 319.408 3.447 40 0 DGABMO COc1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCC3)n1)C2 ZINC000329072165 231435754 /nfs/dbraw/zinc/43/57/54/231435754.db2.gz ZVHMMLVDXCDIMU-UHFFFAOYSA-N 1 1 324.428 3.402 40 0 DGABMO C[N@H+]1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134467 530061510 /nfs/dbraw/zinc/06/15/10/530061510.db2.gz NOQSLUIAFGHJRK-HNNXBMFYSA-N 1 1 310.376 3.345 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)cn1 ZINC000225584870 186280621 /nfs/dbraw/zinc/28/06/21/186280621.db2.gz POYXCCVPBFAWPK-HNNXBMFYSA-N 1 1 320.506 3.331 40 0 DGABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072350474 191127276 /nfs/dbraw/zinc/12/72/76/191127276.db2.gz RISBGLGIOYKMHN-HNNXBMFYSA-N 1 1 311.433 3.093 40 0 DGABMO c1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000072363425 191131839 /nfs/dbraw/zinc/13/18/39/191131839.db2.gz HNWFBIMAMJSTNV-AWEZNQCLSA-N 1 1 310.405 3.090 40 0 DGABMO CC(C)[N@H+]1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000072364729 191133038 /nfs/dbraw/zinc/13/30/38/191133038.db2.gz GRRZYFMLRPBDII-GFCCVEGCSA-N 1 1 303.435 3.265 40 0 DGABMO c1cc2ccc(C[N@@H+]3CCOC[C@@H](Cc4ccccn4)C3)cc2[nH]1 ZINC000072388196 191146347 /nfs/dbraw/zinc/14/63/47/191146347.db2.gz FRMPDUMCUWWSSV-KRWDZBQOSA-N 1 1 321.424 3.254 40 0 DGABMO CC(C)Oc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000257300383 203026010 /nfs/dbraw/zinc/02/60/10/203026010.db2.gz RUBRXWIBYFWSIW-INIZCTEOSA-N 1 1 320.433 3.355 40 0 DGABMO Fc1ccccc1C[NH+]1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257308938 203034236 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Fc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348830 182118021 /nfs/dbraw/zinc/11/80/21/182118021.db2.gz VRZXYZGKJRQKQT-OAHLLOKOSA-N 1 1 324.359 3.260 40 0 DGABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)N1 ZINC000019372604 182121021 /nfs/dbraw/zinc/12/10/21/182121021.db2.gz MXSHUMGOBGXCRM-PZJWPPBQSA-N 1 1 320.436 3.325 40 0 DGABMO CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)n1CC ZINC000019524204 182127817 /nfs/dbraw/zinc/12/78/17/182127817.db2.gz QSVVQHGVINGEBX-CYBMUJFWSA-N 1 1 320.462 3.383 40 0 DGABMO CC(C)n1cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000019747876 182143025 /nfs/dbraw/zinc/14/30/25/182143025.db2.gz DMYXIFOLTVYZIX-OAHLLOKOSA-N 1 1 313.445 3.132 40 0 DGABMO COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000020039143 182182927 /nfs/dbraw/zinc/18/29/27/182182927.db2.gz UBRBGEASPJTGBQ-UHFFFAOYSA-N 1 1 321.380 3.119 40 0 DGABMO Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020047929 182183625 /nfs/dbraw/zinc/18/36/25/182183625.db2.gz 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c1coc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096046940 431935261 /nfs/dbraw/zinc/93/52/61/431935261.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 1 1 311.429 3.163 40 0 DGABMO c1coc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096046940 431935263 /nfs/dbraw/zinc/93/52/63/431935263.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 1 1 311.429 3.163 40 0 DGABMO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)c1 ZINC000096047581 431935747 /nfs/dbraw/zinc/93/57/47/431935747.db2.gz KSDHVUXZTZPOEB-ZWKOTPCHSA-N 1 1 316.376 3.264 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046183 431935791 /nfs/dbraw/zinc/93/57/91/431935791.db2.gz INKOXPGXYSATOI-NWANDNLSSA-N 1 1 319.430 3.100 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)o1 ZINC000049169593 431936710 /nfs/dbraw/zinc/93/67/10/431936710.db2.gz VJBVOCJAPZEILI-AWEZNQCLSA-N 1 1 310.357 3.023 40 0 biogenic,in-vitro DGABMO CC(C)C[N@H+]1CC[C@H](c2nnc(COc3ccc(F)cc3)o2)C1 ZINC000049170389 431937326 /nfs/dbraw/zinc/93/73/26/431937326.db2.gz DCVZZTJCPXHOCN-ZDUSSCGKSA-N 1 1 319.380 3.233 40 0 biogenic,in-vitro DGABMO Fc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC000096055837 431937367 /nfs/dbraw/zinc/93/73/67/431937367.db2.gz JBIHUZJBBNYOHO-MOPGFXCFSA-N 1 1 311.404 3.070 40 0 DGABMO Fc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC000096055837 431937369 /nfs/dbraw/zinc/93/73/69/431937369.db2.gz JBIHUZJBBNYOHO-MOPGFXCFSA-N 1 1 311.404 3.070 40 0 DGABMO Fc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC000096055837 431937371 /nfs/dbraw/zinc/93/73/71/431937371.db2.gz JBIHUZJBBNYOHO-MOPGFXCFSA-N 1 1 311.404 3.070 40 0 DGABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170306 431937461 /nfs/dbraw/zinc/93/74/61/431937461.db2.gz RJHCCASVDDSQSR-ZDUSSCGKSA-N 1 1 310.401 3.493 40 0 biogenic,in-vitro DGABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096100319 431937581 /nfs/dbraw/zinc/93/75/81/431937581.db2.gz JRQPZYCEMMICLQ-HXUWFJFHSA-N 1 1 322.408 3.180 40 0 DGABMO c1coc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096109310 431938764 /nfs/dbraw/zinc/93/87/64/431938764.db2.gz ZEMDHKZBBSDAAW-MJGOQNOKSA-N 1 1 312.413 3.494 40 0 DGABMO CO[C@H]1CC[N@@H+](Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 ZINC000096110495 431939124 /nfs/dbraw/zinc/93/91/24/431939124.db2.gz JSYRYJPDHROWCR-WMZOPIPTSA-N 1 1 300.402 3.063 40 0 DGABMO CCC[N@H+]1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC000096145656 431939384 /nfs/dbraw/zinc/93/93/84/431939384.db2.gz WRLFOBIKMGMMBY-ZBFHGGJFSA-N 1 1 311.429 3.077 40 0 DGABMO COC[C@H]1C[N@H+](Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197912 431941646 /nfs/dbraw/zinc/94/16/46/431941646.db2.gz SFVOESRSHHFUNA-CQSZACIVSA-N 1 1 317.458 3.100 40 0 DGABMO COC[C@H]1C[N@@H+](Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197912 431941648 /nfs/dbraw/zinc/94/16/48/431941648.db2.gz SFVOESRSHHFUNA-CQSZACIVSA-N 1 1 317.458 3.100 40 0 DGABMO c1cc2n(n1)C[C@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096189089 431941936 /nfs/dbraw/zinc/94/19/36/431941936.db2.gz DGVJBZJIDDZUKQ-MRXNPFEDSA-N 1 1 317.458 3.003 40 0 DGABMO c1cc2n(n1)C[C@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096189089 431941939 /nfs/dbraw/zinc/94/19/39/431941939.db2.gz DGVJBZJIDDZUKQ-MRXNPFEDSA-N 1 1 317.458 3.003 40 0 DGABMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC000096214518 431942160 /nfs/dbraw/zinc/94/21/60/431942160.db2.gz LTUGWTKVYNWILR-IBGZPJMESA-N 1 1 315.461 3.003 40 0 DGABMO COC[C@@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)[N@H+]1C ZINC000096219140 431942414 /nfs/dbraw/zinc/94/24/14/431942414.db2.gz GPIBEYYEGHXMRX-HNNXBMFYSA-N 1 1 324.415 3.040 40 0 DGABMO c1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096218346 431942429 /nfs/dbraw/zinc/94/24/29/431942429.db2.gz XSSUYHYVNIHYQJ-MOPGFXCFSA-N 1 1 312.413 3.494 40 0 DGABMO Cc1csc(C[C@H]2OC[C@H]3C[N@@H+](Cc4ccoc4)CC[C@H]32)n1 ZINC000096209854 431942813 /nfs/dbraw/zinc/94/28/13/431942813.db2.gz GWTQTJNHKPQJQS-BZUAXINKSA-N 1 1 318.442 3.124 40 0 DGABMO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC)nc21 ZINC000096198082 431942862 /nfs/dbraw/zinc/94/28/62/431942862.db2.gz XBZIQLBJIZUOCK-OAHLLOKOSA-N 1 1 305.447 3.100 40 0 DGABMO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC)nc21 ZINC000096198082 431942863 /nfs/dbraw/zinc/94/28/63/431942863.db2.gz XBZIQLBJIZUOCK-OAHLLOKOSA-N 1 1 305.447 3.100 40 0 DGABMO c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)n1 ZINC000096216643 431943242 /nfs/dbraw/zinc/94/32/42/431943242.db2.gz BJQNRZJQQPUICT-KRWDZBQOSA-N 1 1 314.458 3.031 40 0 DGABMO c1csc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)n1 ZINC000096216643 431943244 /nfs/dbraw/zinc/94/32/44/431943244.db2.gz BJQNRZJQQPUICT-KRWDZBQOSA-N 1 1 314.458 3.031 40 0 DGABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255311 431943986 /nfs/dbraw/zinc/94/39/86/431943986.db2.gz GOPBGYSRRFBCBN-UHFFFAOYSA-N 1 1 320.396 3.041 40 0 DGABMO Fc1ccc(-c2n[nH]c3c2CC[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000096254388 431944175 /nfs/dbraw/zinc/94/41/75/431944175.db2.gz NZLZWEOXAXUARZ-UHFFFAOYSA-N 1 1 322.387 3.212 40 0 DGABMO c1ccc(-c2ncc3c(n2)[C@@]2(CC[N@H+](CC4CC4)C2)COC3)cc1 ZINC000096244356 431944266 /nfs/dbraw/zinc/94/42/66/431944266.db2.gz SXROBPKSLAQVCO-HXUWFJFHSA-N 1 1 321.424 3.027 40 0 DGABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@H]2COCC1CC1 ZINC000253599831 432400923 /nfs/dbraw/zinc/40/09/23/432400923.db2.gz VFDQWSAIGWTROP-HNNXBMFYSA-N 1 1 307.459 3.074 40 0 DGABMO Cc1cccnc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257203087 432417809 /nfs/dbraw/zinc/41/78/09/432417809.db2.gz AOQKBCFZMZYPQC-FUHIMQAGSA-N 1 1 323.440 3.383 40 0 DGABMO CN(C)c1nccc([C@H]2CCCC[N@@H+]2Cc2ccsc2)n1 ZINC000257214985 432418309 /nfs/dbraw/zinc/41/83/09/432418309.db2.gz COENIBQGLFUOLA-OAHLLOKOSA-N 1 1 302.447 3.331 40 0 DGABMO CN(C)c1nccc([C@H]2CCCC[N@H+]2Cc2ccsc2)n1 ZINC000257214985 432418311 /nfs/dbraw/zinc/41/83/11/432418311.db2.gz COENIBQGLFUOLA-OAHLLOKOSA-N 1 1 302.447 3.331 40 0 DGABMO CN(C)c1nccc([C@@H]2CCCC[N@@H+]2Cc2ccsc2)n1 ZINC000257214984 432418932 /nfs/dbraw/zinc/41/89/32/432418932.db2.gz COENIBQGLFUOLA-HNNXBMFYSA-N 1 1 302.447 3.331 40 0 DGABMO CN(C)c1nccc([C@@H]2CCCC[N@H+]2Cc2ccsc2)n1 ZINC000257214984 432418936 /nfs/dbraw/zinc/41/89/36/432418936.db2.gz COENIBQGLFUOLA-HNNXBMFYSA-N 1 1 302.447 3.331 40 0 DGABMO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@H+](C)C3)n2)sc1C ZINC000257236002 432419747 /nfs/dbraw/zinc/41/97/47/432419747.db2.gz HAKSHNVEUZPTND-ZDUSSCGKSA-N 1 1 317.462 3.411 40 0 DGABMO c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257223396 432419766 /nfs/dbraw/zinc/41/97/66/432419766.db2.gz DXDZXGYWABNHIO-KRWDZBQOSA-N 1 1 322.456 3.456 40 0 DGABMO c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257223397 432420928 /nfs/dbraw/zinc/42/09/28/432420928.db2.gz DXDZXGYWABNHIO-QGZVFWFLSA-N 1 1 322.456 3.456 40 0 DGABMO CCn1nccc1-c1cncc(C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257246702 432421797 /nfs/dbraw/zinc/42/17/97/432421797.db2.gz IVKOXMYUDANZRZ-OAHLLOKOSA-N 1 1 313.449 3.023 40 0 DGABMO Cc1nccc([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257241237 432422355 /nfs/dbraw/zinc/42/23/55/432422355.db2.gz HXGDWCXDRQSYDL-SFHVURJKSA-N 1 1 321.424 3.440 40 0 DGABMO CC[N@H+]1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254531 432422731 /nfs/dbraw/zinc/42/27/31/432422731.db2.gz KDMUBDMYVDVKBH-LBPRGKRZSA-N 1 1 303.435 3.103 40 0 DGABMO Cc1cc(C)c2c(n[nH]c2N[C@H](C)C2CCC(C[NH3+])CC2)n1 ZINC000257264491 432424879 /nfs/dbraw/zinc/42/48/79/432424879.db2.gz LUPSTFAMEUUQQA-IYXRBSQSSA-N 1 1 301.438 3.140 40 0 DGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC000257269839 432425315 /nfs/dbraw/zinc/42/53/15/432425315.db2.gz MRPBTARLWGDERT-QGZVFWFLSA-N 1 1 310.445 3.308 40 0 DGABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257266504 432425723 /nfs/dbraw/zinc/42/57/23/432425723.db2.gz MDGXYTRXXPOOIO-QGZVFWFLSA-N 1 1 309.413 3.374 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCCC[C@H]32)C1 ZINC000218838372 432660081 /nfs/dbraw/zinc/66/00/81/432660081.db2.gz ARUFQWJKFOKKNK-AKHDSKFASA-N 1 1 306.494 3.473 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCCC[C@H]32)C1 ZINC000218838372 432660084 /nfs/dbraw/zinc/66/00/84/432660084.db2.gz ARUFQWJKFOKKNK-AKHDSKFASA-N 1 1 306.494 3.473 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(OC)c1 ZINC000225763048 432697992 /nfs/dbraw/zinc/69/79/92/432697992.db2.gz SNZVTMNIOSRQRU-MRXNPFEDSA-N 1 1 319.449 3.471 40 0 DGABMO Cn1c2ccc(C[N@H+]3Cc4ccccc4C(C)(C)C3)cc2oc1=O ZINC000351608216 433611466 /nfs/dbraw/zinc/61/14/66/433611466.db2.gz NWTPSWSAFHYTSY-UHFFFAOYSA-N 1 1 322.408 3.425 40 0 DGABMO c1cc(C[C@H]2[C@@H](OCC3CC3)CC[N@H+]2Cc2ccncc2)ccn1 ZINC000306131963 534468894 /nfs/dbraw/zinc/46/88/94/534468894.db2.gz KUCGCFVHMCLMSR-PMACEKPBSA-N 1 1 323.440 3.089 40 0 DGABMO CC(C)(C)[Si](C)(C)O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000195957337 1177070035 /nfs/dbraw/zinc/07/00/35/1177070035.db2.gz NOGVPOUKDSTPPU-HOTGVXAUSA-N 1 1 307.510 3.254 40 0 DGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000028243151 1193871942 /nfs/dbraw/zinc/87/19/42/1193871942.db2.gz VKUYWQHJHLWQPD-UHFFFAOYSA-N 1 1 321.336 3.162 40 0 DGABMO O=C1CCOC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000248075793 1203794368 /nfs/dbraw/zinc/79/43/68/1203794368.db2.gz ZYNSKBKVJJHUEL-ZVDOUQERSA-N 1 1 321.420 3.260 40 0 DGABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203778 191075638 /nfs/dbraw/zinc/07/56/38/191075638.db2.gz RJJBZKVBRLYUMB-HUUCEWRRSA-N 1 1 319.449 3.379 40 0 DGABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3C(C)C)n2)n1 ZINC000072376223 191138918 /nfs/dbraw/zinc/13/89/18/191138918.db2.gz PXPTVGQDISUUTP-HNNXBMFYSA-N 1 1 312.421 3.172 40 0 DGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378503 191141248 /nfs/dbraw/zinc/14/12/48/191141248.db2.gz AWSZZOXGXGKXRL-INIZCTEOSA-N 1 1 310.401 3.039 40 0 DGABMO Cc1cccc(Nc2cc(C)nc([C@@H]3CC[N@H+](C(C)C)C3)n2)n1 ZINC000072382381 191142100 /nfs/dbraw/zinc/14/21/00/191142100.db2.gz SFOQGSXWIXBJIT-OAHLLOKOSA-N 1 1 311.433 3.430 40 0 DGABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000004597867 181129059 /nfs/dbraw/zinc/12/90/59/181129059.db2.gz CANUBXZJGLXAEB-XJKSGUPXSA-N 1 1 309.356 3.386 40 0 DGABMO CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006168820 181317289 /nfs/dbraw/zinc/31/72/89/181317289.db2.gz KQHXNKOGBMJFGW-IBGZPJMESA-N 1 1 311.425 3.047 40 0 DGABMO CC(C)C[N@@H+]1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257295333 203021553 /nfs/dbraw/zinc/02/15/53/203021553.db2.gz QXXNLNRGYINZNJ-KRWDZBQOSA-N 1 1 318.392 3.434 40 0 DGABMO CC(C)C[N@H+]1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257295333 203021557 /nfs/dbraw/zinc/02/15/57/203021557.db2.gz QXXNLNRGYINZNJ-KRWDZBQOSA-N 1 1 318.392 3.434 40 0 DGABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2)nc1 ZINC000257304973 203030675 /nfs/dbraw/zinc/03/06/75/203030675.db2.gz SNXQTOYHUZYJGL-HXUWFJFHSA-N 1 1 323.440 3.363 40 0 DGABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccsc3)C2)[nH+]1 ZINC000257316529 203041713 /nfs/dbraw/zinc/04/17/13/203041713.db2.gz VFZREPAEYQFLBA-HNNXBMFYSA-N 1 1 315.442 3.193 40 0 DGABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000019084631 182104823 /nfs/dbraw/zinc/10/48/23/182104823.db2.gz KMYHPSBKUYDYFJ-CYBMUJFWSA-N 1 1 303.381 3.496 40 0 DGABMO c1csc(-c2noc([C@@H]3CC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000019344688 182117922 /nfs/dbraw/zinc/11/79/22/182117922.db2.gz TUHRXCRCCADABU-CYBMUJFWSA-N 1 1 312.398 3.183 40 0 DGABMO CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019499213 182126221 /nfs/dbraw/zinc/12/62/21/182126221.db2.gz FGRXXZGIBAJEMN-SCTDSRPQSA-N 1 1 300.446 3.265 40 0 DGABMO Fc1cccc(-c2nc3c(s2)C[N@H+](C2CCOCC2)CC3)c1 ZINC000019719883 182138355 /nfs/dbraw/zinc/13/83/55/182138355.db2.gz JHFMDSNDBRRBOW-UHFFFAOYSA-N 1 1 318.417 3.486 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(C)cc1 ZINC000020493668 182224191 /nfs/dbraw/zinc/22/41/91/182224191.db2.gz FPFVMVDPFIOQQQ-GOSISDBHSA-N 1 1 302.462 3.308 40 0 DGABMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832390 183011268 /nfs/dbraw/zinc/01/12/68/183011268.db2.gz KTYVTJHAIHZVQH-HNNXBMFYSA-N 1 1 308.853 3.324 40 0 DGABMO C[C@@H]1CC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000110708043 194352808 /nfs/dbraw/zinc/35/28/08/194352808.db2.gz PTNWHLDIWJUVMX-NNXNONAVSA-N 1 1 316.489 3.444 40 0 DGABMO C=Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 ZINC000057810979 184055640 /nfs/dbraw/zinc/05/56/40/184055640.db2.gz WLFLFSITGIVRNO-IBGZPJMESA-N 1 1 311.429 3.473 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227979 257122357 /nfs/dbraw/zinc/12/23/57/257122357.db2.gz HRHQAAAKUDMQAK-KBPBESRZSA-N 1 1 307.180 3.409 40 0 DGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000072227867 257122367 /nfs/dbraw/zinc/12/23/67/257122367.db2.gz PLHMNBYXIRIYQY-HOTGVXAUSA-N 1 1 300.789 3.372 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227976 257122455 /nfs/dbraw/zinc/12/24/55/257122455.db2.gz WEZSOCJZLLOQNL-ZIAGYGMSSA-N 1 1 307.180 3.409 40 0 DGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072228034 257122469 /nfs/dbraw/zinc/12/24/69/257122469.db2.gz IZCKXAJNPAQZSN-JKSUJKDBSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227657 257122518 /nfs/dbraw/zinc/12/25/18/257122518.db2.gz PCHIHNKCUXGBPI-KGLIPLIRSA-N 1 1 324.277 3.260 40 0 DGABMO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N ZINC000072218435 257124365 /nfs/dbraw/zinc/12/43/65/257124365.db2.gz VRLKZPJWNKZENU-INIZCTEOSA-N 1 1 311.385 3.446 40 0 DGABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219345 257124463 /nfs/dbraw/zinc/12/44/63/257124463.db2.gz CAVHLMCWEMFQRB-QGZVFWFLSA-N 1 1 303.450 3.164 40 0 DGABMO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216545 257125207 /nfs/dbraw/zinc/12/52/07/257125207.db2.gz LAWOIOBXQBVBHF-SFHVURJKSA-N 1 1 316.493 3.016 40 0 DGABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216545 257125208 /nfs/dbraw/zinc/12/52/08/257125208.db2.gz 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O[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CC[C@@]12CCCO2 ZINC000257330493 203053988 /nfs/dbraw/zinc/05/39/88/203053988.db2.gz XORFOYOJEBSGKE-IRXDYDNUSA-N 1 1 303.427 3.017 40 0 DGABMO FC(F)(F)c1cccc(OCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000257317122 203040097 /nfs/dbraw/zinc/04/00/97/203040097.db2.gz VIMKHTSIIXNHTL-SNVBAGLBSA-N 1 1 311.307 3.084 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200056 193575867 /nfs/dbraw/zinc/57/58/67/193575867.db2.gz HHVKDQIUHULYPR-ZWKOTPCHSA-N 1 1 300.402 3.123 40 0 DGABMO COc1ccc2c(c1)C[C@@H](c1cccnc1)[NH2+][C@H]2c1ccncc1 ZINC000019562634 182130068 /nfs/dbraw/zinc/13/00/68/182130068.db2.gz GRPOZKYPJMCLEB-PMACEKPBSA-N 1 1 317.392 3.462 40 0 DGABMO CC(C)CC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346904 182470517 /nfs/dbraw/zinc/47/05/17/182470517.db2.gz JDCVGZLDECJNRB-GOSISDBHSA-N 1 1 309.425 3.172 40 0 DGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000038832967 183011543 /nfs/dbraw/zinc/01/15/43/183011543.db2.gz IFVBJDTVEZTVSD-UHFFFAOYSA-N 1 1 319.408 3.212 40 0 DGABMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000039156550 183014665 /nfs/dbraw/zinc/01/46/65/183014665.db2.gz GTBQVLOYUBQHEV-IYBDPMFKSA-N 1 1 302.418 3.270 40 0 DGABMO Cc1ccc(NC(=[NH2+])Nc2nc(=O)c3ccccc3s2)cc1 ZINC000040385346 183059460 /nfs/dbraw/zinc/05/94/60/183059460.db2.gz UJHNPJVNFMQZPP-UHFFFAOYSA-N 1 1 310.382 3.424 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044140369 183396483 /nfs/dbraw/zinc/39/64/83/183396483.db2.gz CRUYUDPGENQQIF-OKILXGFUSA-N 1 1 323.481 3.480 40 0 DGABMO CCn1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 ZINC000057810996 184055473 /nfs/dbraw/zinc/05/54/73/184055473.db2.gz HZARDKOLRPWLDH-IBGZPJMESA-N 1 1 313.445 3.393 40 0 DGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000072228087 257121809 /nfs/dbraw/zinc/12/18/09/257121809.db2.gz BGFGFQQCKOVOMF-HOTGVXAUSA-N 1 1 316.788 3.154 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 ZINC000072227111 257122327 /nfs/dbraw/zinc/12/23/27/257122327.db2.gz XSTYFAKLOQDJDA-KGLIPLIRSA-N 1 1 306.287 3.121 40 0 DGABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227123 257122353 /nfs/dbraw/zinc/12/23/53/257122353.db2.gz MQZBLZROYQHMBP-CABCVRRESA-N 1 1 320.314 3.429 40 0 DGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1C ZINC000072227866 257122399 /nfs/dbraw/zinc/12/23/99/257122399.db2.gz PLHMNBYXIRIYQY-JKSUJKDBSA-N 1 1 300.789 3.372 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000072227975 257122494 /nfs/dbraw/zinc/12/24/94/257122494.db2.gz WEZSOCJZLLOQNL-KBPBESRZSA-N 1 1 307.180 3.409 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000072227495 257122646 /nfs/dbraw/zinc/12/26/46/257122646.db2.gz SHUHHFLSHVCXGV-KBPBESRZSA-N 1 1 306.287 3.121 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F ZINC000072227535 257122790 /nfs/dbraw/zinc/12/27/90/257122790.db2.gz ROKHSQSYZOFPDX-KBPBESRZSA-N 1 1 324.277 3.260 40 0 DGABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219343 257124169 /nfs/dbraw/zinc/12/41/69/257124169.db2.gz IUAHONFVGHPSKC-KRWDZBQOSA-N 1 1 303.450 3.020 40 0 DGABMO Cc1[nH+]c(N)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218556 257124613 /nfs/dbraw/zinc/12/46/13/257124613.db2.gz OIZQJWBMLJKTAY-MRXNPFEDSA-N 1 1 311.385 3.446 40 0 DGABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216245 257125146 /nfs/dbraw/zinc/12/51/46/257125146.db2.gz PVTQZNJHLHMHTN-KRWDZBQOSA-N 1 1 303.450 3.101 40 0 DGABMO COc1ccccc1C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013424991 257133016 /nfs/dbraw/zinc/13/30/16/257133016.db2.gz AXUGOKFRYJOWGL-HOCLYGCPSA-N 1 1 303.402 3.117 40 0 DGABMO O=C(c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238960349 257213457 /nfs/dbraw/zinc/21/34/57/257213457.db2.gz YKBNWJRSPMWVCU-IBGZPJMESA-N 1 1 324.399 3.099 40 0 DGABMO c1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)cc1 ZINC000585103495 400125805 /nfs/dbraw/zinc/12/58/05/400125805.db2.gz XJUONBFSHDDQRY-SFHVURJKSA-N 1 1 301.430 3.094 40 0 DGABMO COc1ccc(C[N@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1 ZINC000019712375 400186140 /nfs/dbraw/zinc/18/61/40/400186140.db2.gz RJTDKJFVVUDSLP-RBUKOAKNSA-N 1 1 316.445 3.061 40 0 DGABMO c1cc(C[N@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cs1 ZINC000306127467 275064562 /nfs/dbraw/zinc/06/45/62/275064562.db2.gz FZCZJOXRMGOYII-JKSUJKDBSA-N 1 1 322.437 3.236 40 0 DGABMO CCCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000001475406 276295644 /nfs/dbraw/zinc/29/56/44/276295644.db2.gz WZKBTNVVFFZMCN-SOLBZPMBSA-N 1 1 305.462 3.357 40 0 DGABMO CCN1CCC[C@H]1C[N@H+](Cc1cccs1)C[C@@H]1CCOC1 ZINC000019527202 279330046 /nfs/dbraw/zinc/33/00/46/279330046.db2.gz UKUKYVWIMRXJCB-HOTGVXAUSA-N 1 1 308.491 3.071 40 0 DGABMO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)C[C@@H]1CCOC1 ZINC000019527202 279330047 /nfs/dbraw/zinc/33/00/47/279330047.db2.gz UKUKYVWIMRXJCB-HOTGVXAUSA-N 1 1 308.491 3.071 40 0 DGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)C[C@@H]1CCOC1 ZINC000019527202 279330049 /nfs/dbraw/zinc/33/00/49/279330049.db2.gz UKUKYVWIMRXJCB-HOTGVXAUSA-N 1 1 308.491 3.071 40 0 DGABMO C/C(=C/c1ccccc1)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000000234604 431150733 /nfs/dbraw/zinc/15/07/33/431150733.db2.gz FTNSPZRWTDMPET-VWXXHXAUSA-N 1 1 320.436 3.371 40 0 DGABMO O=C(C[NH+]1CCC(c2ccccc2F)CC1)N1CCCCC1 ZINC000072342075 431337073 /nfs/dbraw/zinc/33/70/73/431337073.db2.gz QSJKVMFNMYUOLZ-UHFFFAOYSA-N 1 1 304.409 3.018 40 0 DGABMO Cc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](CN(C)C)C2)s1 ZINC000019217269 431617481 /nfs/dbraw/zinc/61/74/81/431617481.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 1 1 316.470 3.381 40 0 DGABMO Cc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](CN(C)C)C2)s1 ZINC000019217269 431617486 /nfs/dbraw/zinc/61/74/86/431617486.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 1 1 316.470 3.381 40 0 DGABMO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000025767412 431665429 /nfs/dbraw/zinc/66/54/29/431665429.db2.gz RMMACRRBCUNCTG-UHFFFAOYSA-N 1 1 322.452 3.272 40 0 DGABMO O=C(Nc1cccc(Cl)c1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932266 431697419 /nfs/dbraw/zinc/69/74/19/431697419.db2.gz VAUQIZLZRUGCKA-JTQLQIEISA-N 1 1 314.216 3.305 40 0 DGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2=O)c1 ZINC000096050563 431934830 /nfs/dbraw/zinc/93/48/30/431934830.db2.gz NSNMBOIHBLXAOF-FQEVSTJZSA-N 1 1 324.424 3.213 40 0 DGABMO c1ccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCC2)C3)nc1 ZINC000096040274 431935203 /nfs/dbraw/zinc/93/52/03/431935203.db2.gz NGZZMZXGBBFMBF-MOPGFXCFSA-N 1 1 316.445 3.022 40 0 DGABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000096057518 431936205 /nfs/dbraw/zinc/93/62/05/431936205.db2.gz HFTOFNUXXXQSAF-BZUAXINKSA-N 1 1 317.364 3.012 40 0 DGABMO CCn1cc2c(n1)[C@H](COC)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096059882 431936419 /nfs/dbraw/zinc/93/64/19/431936419.db2.gz PKUHKPWGBVMCTE-AWEZNQCLSA-N 1 1 305.447 3.019 40 0 DGABMO c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049169353 431937265 /nfs/dbraw/zinc/93/72/65/431937265.db2.gz XMFMXGCJEXGYQN-INIZCTEOSA-N 1 1 306.369 3.121 40 0 biogenic,in-vitro DGABMO c1ccc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096111045 431938437 /nfs/dbraw/zinc/93/84/37/431938437.db2.gz DKNDBWPPXXVSHY-XLIONFOSSA-N 1 1 323.440 3.296 40 0 DGABMO Cc1cc2nc(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112334 431939241 /nfs/dbraw/zinc/93/92/41/431939241.db2.gz MHXJOKVOQNSTET-PBHICJAKSA-N 1 1 317.408 3.271 40 0 biogenic,in-vitro DGABMO Cc1cc2nc(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112334 431939243 /nfs/dbraw/zinc/93/92/43/431939243.db2.gz MHXJOKVOQNSTET-PBHICJAKSA-N 1 1 317.408 3.271 40 0 biogenic,in-vitro DGABMO c1cc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cs1 ZINC000096208003 431942421 /nfs/dbraw/zinc/94/24/21/431942421.db2.gz QULIFUITEJDDEZ-MRXNPFEDSA-N 1 1 317.458 3.003 40 0 DGABMO c1cc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)cs1 ZINC000096208003 431942423 /nfs/dbraw/zinc/94/24/23/431942423.db2.gz QULIFUITEJDDEZ-MRXNPFEDSA-N 1 1 317.458 3.003 40 0 DGABMO C[C@H]1CC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000096493322 431953741 /nfs/dbraw/zinc/95/37/41/431953741.db2.gz PTNWHLDIWJUVMX-LNLFQRSKSA-N 1 1 316.489 3.444 40 0 DGABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257206641 432417541 /nfs/dbraw/zinc/41/75/41/432417541.db2.gz BEIVUIUTKDVQRA-QGZVFWFLSA-N 1 1 319.412 3.165 40 0 DGABMO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)n1 ZINC000257215119 432418739 /nfs/dbraw/zinc/41/87/39/432418739.db2.gz COTWYDXBXFCWIU-IMFGXOCKSA-N 1 1 323.440 3.383 40 0 DGABMO Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257210597 432418784 /nfs/dbraw/zinc/41/87/84/432418784.db2.gz BVIBDZHSYPSVPY-OAHLLOKOSA-N 1 1 313.449 3.146 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257243613 432422445 /nfs/dbraw/zinc/42/24/45/432422445.db2.gz IHUIGLHXQMDUSZ-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000257243613 432422447 /nfs/dbraw/zinc/42/24/47/432422447.db2.gz IHUIGLHXQMDUSZ-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000257243613 432422452 /nfs/dbraw/zinc/42/24/52/432422452.db2.gz IHUIGLHXQMDUSZ-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257246448 432423384 /nfs/dbraw/zinc/42/33/84/432423384.db2.gz IUEUALPPSSKHED-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257246448 432423386 /nfs/dbraw/zinc/42/33/86/432423386.db2.gz IUEUALPPSSKHED-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257246448 432423389 /nfs/dbraw/zinc/42/33/89/432423389.db2.gz IUEUALPPSSKHED-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO CCC[N@H+]1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 ZINC001534646727 1187912556 /nfs/dbraw/zinc/91/25/56/1187912556.db2.gz RGKNYNKGDHFEIR-HOTGVXAUSA-N 1 1 316.445 3.454 40 0 DGABMO OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC001772491077 1197698582 /nfs/dbraw/zinc/69/85/82/1197698582.db2.gz DAEQJRXBQKIVSA-UXHICEINSA-N 1 1 311.425 3.086 40 0 DGABMO COCCc1noc([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCCC2)n1 ZINC001772494428 1197720359 /nfs/dbraw/zinc/72/03/59/1197720359.db2.gz GSNKYLHILCTRCC-MKZZRHPPSA-N 1 1 319.449 3.302 40 0 DGABMO CC(C)[N@H+]1CCC[C@H](OCCc2noc(-c3ccccc3)n2)C1 ZINC001772502127 1197722176 /nfs/dbraw/zinc/72/21/76/1197722176.db2.gz ZBWARECIZMBWDN-INIZCTEOSA-N 1 1 315.417 3.169 40 0 DGABMO c1cc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cs1 ZINC000306127466 231085315 /nfs/dbraw/zinc/08/53/15/231085315.db2.gz FZCZJOXRMGOYII-HZPDHXFCSA-N 1 1 322.437 3.236 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc(C)ccn1 ZINC000225585007 186280231 /nfs/dbraw/zinc/28/02/31/186280231.db2.gz NOHXJDABUZOZMM-HNNXBMFYSA-N 1 1 320.506 3.331 40 0 DGABMO CNc1cc(CN(C)C)nc([C@@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000072352018 191129529 /nfs/dbraw/zinc/12/95/29/191129529.db2.gz LPPGYHNLMWGHTQ-INIZCTEOSA-N 1 1 317.481 3.050 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@H](Cc2cccc3cccnc32)C1 ZINC000072368081 191136588 /nfs/dbraw/zinc/13/65/88/191136588.db2.gz OWTKMAPTMSVROF-OAHLLOKOSA-N 1 1 306.413 3.033 40 0 DGABMO Cc1cncc([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000072369412 191139571 /nfs/dbraw/zinc/13/95/71/191139571.db2.gz UOEHXLGGNAVKGG-GOSISDBHSA-N 1 1 321.424 3.440 40 0 DGABMO c1cn(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072378632 191140733 /nfs/dbraw/zinc/14/07/33/191140733.db2.gz DSYPPXSQVCIRTA-QGZVFWFLSA-N 1 1 319.412 3.042 40 0 DGABMO c1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389897 191148370 /nfs/dbraw/zinc/14/83/70/191148370.db2.gz PUYIGATWCVSXBF-INIZCTEOSA-N 1 1 306.369 3.121 40 0 DGABMO COc1cc2c(cc1O)[C@H](CCc1ccc(O)cc1)[N@@H+](C)CC2 ZINC000003847469 181048886 /nfs/dbraw/zinc/04/88/86/181048886.db2.gz DTOIFYMRBLCQCF-KRWDZBQOSA-N 1 1 313.397 3.268 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000067801162 432041131 /nfs/dbraw/zinc/04/11/31/432041131.db2.gz KIVCWXSGPCIKQE-CQSZACIVSA-N 1 1 310.825 3.439 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000067801162 432041134 /nfs/dbraw/zinc/04/11/34/432041134.db2.gz KIVCWXSGPCIKQE-CQSZACIVSA-N 1 1 310.825 3.439 40 0 DGABMO COCCNc1c(-c2ccc(OC)cc2)[nH+]c2c(C)cccn12 ZINC000004848434 181162691 /nfs/dbraw/zinc/16/26/91/181162691.db2.gz UTQDGFQZGDPMAN-UHFFFAOYSA-N 1 1 311.385 3.377 40 0 DGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000005771682 181282153 /nfs/dbraw/zinc/28/21/53/181282153.db2.gz ZZHFJTWJGFOXMO-XJKSGUPXSA-N 1 1 306.837 3.334 40 0 DGABMO CC(C)n1cc(-c2cnc(C[C@H]3CC[N@H+](C(C)C)C3)cn2)cn1 ZINC000257304653 203029072 /nfs/dbraw/zinc/02/90/72/203029072.db2.gz SMOHNWAYMZKVAB-OAHLLOKOSA-N 1 1 313.449 3.194 40 0 DGABMO CCN(C(=O)c1scnc1C)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000257306081 203030728 /nfs/dbraw/zinc/03/07/28/203030728.db2.gz SSUYHKIHLDSTQA-AWEZNQCLSA-N 1 1 321.490 3.321 40 0 DGABMO C[N@H+]1CC[C@@]2(C)[C@@H]1CCCCCN2C(=O)Cc1ccc(F)cc1 ZINC000257282210 203011280 /nfs/dbraw/zinc/01/12/80/203011280.db2.gz OSWMLGBUGUGZOB-HKUYNNGSSA-N 1 1 318.436 3.234 40 0 DGABMO O=C(c1cscn1)N1CC[C@@]2(CCC[N@H+]2CC2CCCC2)C1 ZINC000096071063 193520654 /nfs/dbraw/zinc/52/06/54/193520654.db2.gz MSLDMNNPFVFOJF-KRWDZBQOSA-N 1 1 319.474 3.014 40 0 DGABMO c1csc(-c2noc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019338873 182117078 /nfs/dbraw/zinc/11/70/78/182117078.db2.gz ZIMWQOHYIUIIGX-ZDUSSCGKSA-N 1 1 312.398 3.183 40 0 DGABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019524541 182128491 /nfs/dbraw/zinc/12/84/91/182128491.db2.gz IXTHEGPMHCWFGN-INIZCTEOSA-N 1 1 323.444 3.467 40 0 DGABMO CC(C)c1ncc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cn1 ZINC000019496486 182124853 /nfs/dbraw/zinc/12/48/53/182124853.db2.gz BPXZSVZNFRFKPW-MRXNPFEDSA-N 1 1 316.493 3.296 40 0 DGABMO COCCC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000019593263 182133128 /nfs/dbraw/zinc/13/31/28/182133128.db2.gz ATOWGSVLRMHRGR-UHFFFAOYSA-N 1 1 312.413 3.055 40 0 DGABMO Cc1cc(C)n(C2CC[NH+](Cc3nc4ccccc4n3C)CC2)n1 ZINC000019656985 182134091 /nfs/dbraw/zinc/13/40/91/182134091.db2.gz NRNFUVGVTPMZJE-UHFFFAOYSA-N 1 1 323.444 3.224 40 0 DGABMO c1csc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000157020318 197156191 /nfs/dbraw/zinc/15/61/91/197156191.db2.gz DZFBSCAOOHMWGA-AWEZNQCLSA-N 1 1 316.426 3.294 40 0 DGABMO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC000242649023 257120428 /nfs/dbraw/zinc/12/04/28/257120428.db2.gz RRNLSOSWIHMGHJ-FCGDIQPGSA-N 1 1 302.462 3.374 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227488 257122126 /nfs/dbraw/zinc/12/21/26/257122126.db2.gz FYNFMFOMPCYPJZ-HUUCEWRRSA-N 1 1 320.314 3.429 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000072227496 257122161 /nfs/dbraw/zinc/12/21/61/257122161.db2.gz SHUHHFLSHVCXGV-ZIAGYGMSSA-N 1 1 306.287 3.121 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)cc1C ZINC000072227860 257122307 /nfs/dbraw/zinc/12/23/07/257122307.db2.gz JMLHMHCCTOVAAU-HZPDHXFCSA-N 1 1 300.789 3.372 40 0 DGABMO Cc1cc(C(=O)c2ccccc2)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222662 257123807 /nfs/dbraw/zinc/12/38/07/257123807.db2.gz OHGMEVHKBXYSFC-UHFFFAOYSA-N 1 1 323.440 3.151 40 0 DGABMO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@@H+]2C)C1 ZINC000585101844 400125181 /nfs/dbraw/zinc/12/51/81/400125181.db2.gz IWUXNTVJSSXQOU-GOSISDBHSA-N 1 1 304.434 3.196 40 0 DGABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000019712155 400186030 /nfs/dbraw/zinc/18/60/30/400186030.db2.gz DRYVMYWIBMTYQH-MSOLQXFVSA-N 1 1 304.409 3.191 40 0 DGABMO c1ccc(CO[C@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718079 400960803 /nfs/dbraw/zinc/96/08/03/400960803.db2.gz AOIYHYXUOPSXOB-WCIQWLHISA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225718079 400960809 /nfs/dbraw/zinc/96/08/09/400960809.db2.gz AOIYHYXUOPSXOB-WCIQWLHISA-N 1 1 314.473 3.341 40 0 DGABMO COc1cc2c(cc1OC)[C@H](c1c(F)cccc1F)[NH2+]CC2 ZINC000020494129 286260846 /nfs/dbraw/zinc/26/08/46/286260846.db2.gz OITCZALDDAQQAM-QGZVFWFLSA-N 1 1 305.324 3.217 40 0 DGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(c1cccc(C)n1)CC2 ZINC000096240303 274052004 /nfs/dbraw/zinc/05/20/04/274052004.db2.gz LQXNGSUKNNYXLJ-QGZVFWFLSA-N 1 1 317.477 3.106 40 0 DGABMO Cc1cccc(N2CCc3ncnc(-c4ccoc4)c3CC2)[nH+]1 ZINC000096255163 274794287 /nfs/dbraw/zinc/79/42/87/274794287.db2.gz VAXDCQOEBMMWRO-UHFFFAOYSA-N 1 1 306.369 3.045 40 0 DGABMO c1cc2cc(C[C@@H]3COCC[N@@H+](Cc4ccncc4)C3)ccc2[nH]1 ZINC000257282989 275065832 /nfs/dbraw/zinc/06/58/32/275065832.db2.gz OWEARGWSRVZRAZ-SFHVURJKSA-N 1 1 321.424 3.254 40 0 DGABMO CCCC[N@H+]1CCCSCCSCCCN(C)CC1 ZINC000068604417 431136255 /nfs/dbraw/zinc/13/62/55/431136255.db2.gz CUQMBFMMYJWDCS-UHFFFAOYSA-N 1 1 304.569 3.281 40 0 DGABMO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000009876212 431447532 /nfs/dbraw/zinc/44/75/32/431447532.db2.gz QAUCCRUIZWRLFG-LBPRGKRZSA-N 1 1 311.882 3.277 40 0 DGABMO Cc1nc[nH]c1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000012116778 431490039 /nfs/dbraw/zinc/49/00/39/431490039.db2.gz FWXVVKFWDQZJNG-INIZCTEOSA-N 1 1 303.381 3.038 40 0 DGABMO Cc1nc[nH]c1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000012116778 431490045 /nfs/dbraw/zinc/49/00/45/431490045.db2.gz FWXVVKFWDQZJNG-INIZCTEOSA-N 1 1 303.381 3.038 40 0 DGABMO Cc1ccsc1C[N@@H+](Cc1nc2ccccc2[nH]1)C[C@@H](C)O ZINC000012143701 431493040 /nfs/dbraw/zinc/49/30/40/431493040.db2.gz NUGSTOWWQBHDMZ-CYBMUJFWSA-N 1 1 315.442 3.316 40 0 DGABMO Cc1ccsc1C[N@H+](Cc1nc2ccccc2[nH]1)C[C@@H](C)O ZINC000012143701 431493048 /nfs/dbraw/zinc/49/30/48/431493048.db2.gz NUGSTOWWQBHDMZ-CYBMUJFWSA-N 1 1 315.442 3.316 40 0 DGABMO Cc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1nc(C)ncc13)OCO2 ZINC000012186502 431498024 /nfs/dbraw/zinc/49/80/24/431498024.db2.gz MKWZFZCAEQLUAH-WMLDXEAASA-N 1 1 323.396 3.084 40 0 DGABMO Cc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1nc(C)ncc13)OCO2 ZINC000012186502 431498032 /nfs/dbraw/zinc/49/80/32/431498032.db2.gz MKWZFZCAEQLUAH-WMLDXEAASA-N 1 1 323.396 3.084 40 0 DGABMO OC1(c2cccnc2F)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013265824 431551385 /nfs/dbraw/zinc/55/13/85/431551385.db2.gz REOKNGACPVSZMX-UHFFFAOYSA-N 1 1 320.795 3.358 40 0 DGABMO COc1ccccc1C[N@@H+](Cc1ccoc1)C[C@H]1CCCO1 ZINC000013995137 431575482 /nfs/dbraw/zinc/57/54/82/431575482.db2.gz XLTHZTSCZMLYBL-QGZVFWFLSA-N 1 1 301.386 3.469 40 0 DGABMO COc1ccccc1C[N@H+](Cc1ccoc1)C[C@H]1CCCO1 ZINC000013995137 431575489 /nfs/dbraw/zinc/57/54/89/431575489.db2.gz XLTHZTSCZMLYBL-QGZVFWFLSA-N 1 1 301.386 3.469 40 0 DGABMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832337 431856171 /nfs/dbraw/zinc/85/61/71/431856171.db2.gz FMMQXCVWFQZAGL-CQSZACIVSA-N 1 1 308.853 3.467 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)s1 ZINC000096042962 431935159 /nfs/dbraw/zinc/93/51/59/431935159.db2.gz KTFSDTQXIZIWTA-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO c1coc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096049309 431935318 /nfs/dbraw/zinc/93/53/18/431935318.db2.gz UBJOZBGPLMMVBQ-UHFFFAOYSA-N 1 1 311.429 3.305 40 0 DGABMO CCn1ncc2c1C[N@H+](Cc1ccc(C)s1)C[C@H]2COC ZINC000096044562 431935541 /nfs/dbraw/zinc/93/55/41/431935541.db2.gz VJUJUDQRFJJAKU-ZDUSSCGKSA-N 1 1 305.447 3.019 40 0 DGABMO CCn1ncc2c1C[N@@H+](Cc1ccc(C)s1)C[C@H]2COC ZINC000096044562 431935542 /nfs/dbraw/zinc/93/55/42/431935542.db2.gz VJUJUDQRFJJAKU-ZDUSSCGKSA-N 1 1 305.447 3.019 40 0 DGABMO c1ccc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CCC2)C3)nc1 ZINC000096040277 431935787 /nfs/dbraw/zinc/93/57/87/431935787.db2.gz NGZZMZXGBBFMBF-RBUKOAKNSA-N 1 1 316.445 3.022 40 0 DGABMO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC000096042970 431935966 /nfs/dbraw/zinc/93/59/66/431935966.db2.gz VUTHFZLSSCSXHJ-MELADBBJSA-N 1 1 319.430 3.100 40 0 DGABMO c1cncc(C[N@H+]2CCCC3(CCN(c4cccnc4)CC3)C2)c1 ZINC000096071845 431936278 /nfs/dbraw/zinc/93/62/78/431936278.db2.gz VIAHFBIRVIXCQX-UHFFFAOYSA-N 1 1 322.456 3.359 40 0 DGABMO c1ccn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2cccs2)c1 ZINC000096055345 431936443 /nfs/dbraw/zinc/93/64/43/431936443.db2.gz WMPMQDGVPGSFNJ-HYVNUMGLSA-N 1 1 302.443 3.229 40 0 DGABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000096058448 431936769 /nfs/dbraw/zinc/93/67/69/431936769.db2.gz PETNXQAXLXPEDC-UXHICEINSA-N 1 1 324.424 3.044 40 0 DGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccsc1)[C@@H]2C ZINC000096061976 431937192 /nfs/dbraw/zinc/93/71/92/431937192.db2.gz JLONKNOETGFAID-CQSZACIVSA-N 1 1 318.490 3.362 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 ZINC000096110176 431938543 /nfs/dbraw/zinc/93/85/43/431938543.db2.gz JSYRYJPDHROWCR-FUHWJXTLSA-N 1 1 300.402 3.063 40 0 DGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccco3)CC[C@@H]2OC)cc1 ZINC000096110545 431938588 /nfs/dbraw/zinc/93/85/88/431938588.db2.gz ZPOMTPPZFHFOCM-LPHOPBHVSA-N 1 1 315.413 3.368 40 0 DGABMO c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000096111033 431938614 /nfs/dbraw/zinc/93/86/14/431938614.db2.gz NVLKLZOZGUHGFR-QUCCMNQESA-N 1 1 323.440 3.296 40 0 DGABMO Fc1ccccc1C[N@@H+]1CCOC[C@H](Oc2ccccc2)C1 ZINC000096113200 431939141 /nfs/dbraw/zinc/93/91/41/431939141.db2.gz HVFUCZCDTKJWLK-QGZVFWFLSA-N 1 1 301.361 3.106 40 0 biogenic,in-vitro DGABMO Fc1ccccc1C[N@H+]1CCOC[C@H](Oc2ccccc2)C1 ZINC000096113200 431939142 /nfs/dbraw/zinc/93/91/42/431939142.db2.gz HVFUCZCDTKJWLK-QGZVFWFLSA-N 1 1 301.361 3.106 40 0 biogenic,in-vitro DGABMO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 ZINC000096186692 431941258 /nfs/dbraw/zinc/94/12/58/431941258.db2.gz TVDQYXVKHCATKN-IKGGRYGDSA-N 1 1 322.474 3.000 40 0 DGABMO Cc1nc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 ZINC000096186692 431941261 /nfs/dbraw/zinc/94/12/61/431941261.db2.gz TVDQYXVKHCATKN-IKGGRYGDSA-N 1 1 322.474 3.000 40 0 DGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 ZINC000096189085 431941755 /nfs/dbraw/zinc/94/17/55/431941755.db2.gz KTEXJUYKJHQNRK-HNNXBMFYSA-N 1 1 317.458 3.003 40 0 DGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 ZINC000096189085 431941758 /nfs/dbraw/zinc/94/17/58/431941758.db2.gz KTEXJUYKJHQNRK-HNNXBMFYSA-N 1 1 317.458 3.003 40 0 DGABMO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197911 431941913 /nfs/dbraw/zinc/94/19/13/431941913.db2.gz SFVOESRSHHFUNA-AWEZNQCLSA-N 1 1 317.458 3.100 40 0 DGABMO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197911 431941916 /nfs/dbraw/zinc/94/19/16/431941916.db2.gz SFVOESRSHHFUNA-AWEZNQCLSA-N 1 1 317.458 3.100 40 0 DGABMO CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215508 431942337 /nfs/dbraw/zinc/94/23/37/431942337.db2.gz MDTGNPJNVQHEEI-KRWDZBQOSA-N 1 1 324.827 3.314 40 0 DGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)cs1 ZINC000096220145 431942483 /nfs/dbraw/zinc/94/24/83/431942483.db2.gz AAONOPOVCOGAGK-IRXDYDNUSA-N 1 1 307.459 3.298 40 0 DGABMO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096198119 431942880 /nfs/dbraw/zinc/94/28/80/431942880.db2.gz JFHCEURBGSTSIX-INIZCTEOSA-N 1 1 317.458 3.100 40 0 DGABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096198119 431942882 /nfs/dbraw/zinc/94/28/82/431942882.db2.gz JFHCEURBGSTSIX-INIZCTEOSA-N 1 1 317.458 3.100 40 0 DGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(c1cccc(C)n1)CC2 ZINC000096240304 431943123 /nfs/dbraw/zinc/94/31/23/431943123.db2.gz LQXNGSUKNNYXLJ-KRWDZBQOSA-N 1 1 317.477 3.106 40 0 DGABMO Cc1nc(C)c(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)s1 ZINC000096296489 431943649 /nfs/dbraw/zinc/94/36/49/431943649.db2.gz IKHRACHUMIIWJJ-MRXNPFEDSA-N 1 1 318.442 3.040 40 0 biogenic,in-vitro DGABMO CC(C)n1nc(CN(C)C)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096255936 431943791 /nfs/dbraw/zinc/94/37/91/431943791.db2.gz VYXOKXXKGOQUIR-UHFFFAOYSA-N 1 1 312.461 3.084 40 0 DGABMO CC(C)n1nc(CN(C)C)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096255936 431943794 /nfs/dbraw/zinc/94/37/94/431943794.db2.gz VYXOKXXKGOQUIR-UHFFFAOYSA-N 1 1 312.461 3.084 40 0 DGABMO COC(=O)[C@@H]([NH3+])CSC(c1ccccc1)c1ccccc1 ZINC000098181621 431980695 /nfs/dbraw/zinc/98/06/95/431980695.db2.gz DNLBQBYLDNFKGK-HNNXBMFYSA-N 1 1 301.411 3.010 40 0 DGABMO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000248009325 432261734 /nfs/dbraw/zinc/26/17/34/432261734.db2.gz PAPNJUCNURORGR-MAUKXSAKSA-N 1 1 322.399 3.045 40 0 DGABMO c1cc(COCC[C@@H]2CCOC3(C[NH+](C4CCC4)C3)C2)ccn1 ZINC000253588617 432400753 /nfs/dbraw/zinc/40/07/53/432400753.db2.gz KJCHUUQXPLKUNX-MRXNPFEDSA-N 1 1 316.445 3.022 40 0 DGABMO CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260901786 432428979 /nfs/dbraw/zinc/42/89/79/432428979.db2.gz NZXPBGFQXNBDBW-ZBFHGGJFSA-N 1 1 306.425 3.198 40 0 DGABMO CC1(c2ncc(Cl)s2)CC[NH+](Cc2cnccn2)CC1 ZINC000257209136 432417612 /nfs/dbraw/zinc/41/76/12/432417612.db2.gz BPEFLWUHIYITOW-UHFFFAOYSA-N 1 1 308.838 3.140 40 0 DGABMO Cc1nc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cs1 ZINC000257218974 432417801 /nfs/dbraw/zinc/41/78/01/432417801.db2.gz DFBNQLCQWABQDN-XOKHGSTOSA-N 1 1 315.442 3.136 40 0 DGABMO c1ccc(Nc2ccc([C@@H]3C[N@H+](CC4CC4)CCO3)nc2)nc1 ZINC000257208917 432417882 /nfs/dbraw/zinc/41/78/82/432417882.db2.gz BOBMJQRCMQZCOX-KRWDZBQOSA-N 1 1 310.401 3.004 40 0 DGABMO c1ccc(Nc2ccc([C@@H]3C[N@@H+](CC4CC4)CCO3)nc2)nc1 ZINC000257208917 432417886 /nfs/dbraw/zinc/41/78/86/432417886.db2.gz BOBMJQRCMQZCOX-KRWDZBQOSA-N 1 1 310.401 3.004 40 0 DGABMO Cc1ccnc([C@H]2CC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234965 432421268 /nfs/dbraw/zinc/42/12/68/432421268.db2.gz GVUSMAYNLZYKPL-HNNXBMFYSA-N 1 1 306.413 3.266 40 0 DGABMO c1cc2cc(C[C@@H]3CCC[N@@H+](Cc4ccccn4)C3)cnc2[nH]1 ZINC000257229246 432421336 /nfs/dbraw/zinc/42/13/36/432421336.db2.gz FXIMSKPXDLLUDD-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccccc1OC ZINC000225769113 432697255 /nfs/dbraw/zinc/69/72/55/432697255.db2.gz 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191132320 /nfs/dbraw/zinc/13/23/20/191132320.db2.gz LQHZODQUILMVMM-GOSISDBHSA-N 1 1 324.428 3.123 40 0 DGABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000072376295 191139083 /nfs/dbraw/zinc/13/90/83/191139083.db2.gz SGAQDXHPPYBQQI-INIZCTEOSA-N 1 1 309.417 3.471 40 0 DGABMO c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cn1 ZINC000072378618 191141724 /nfs/dbraw/zinc/14/17/24/191141724.db2.gz BTJLJLGTCRZOSQ-INIZCTEOSA-N 1 1 319.412 3.042 40 0 DGABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000072382648 191142666 /nfs/dbraw/zinc/14/26/66/191142666.db2.gz XSOJXSHZCIIYRI-OAHLLOKOSA-N 1 1 312.421 3.254 40 0 DGABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378643 191141851 /nfs/dbraw/zinc/14/18/51/191141851.db2.gz UANVUJILONMTSA-GOSISDBHSA-N 1 1 319.412 3.308 40 0 DGABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389899 191147978 /nfs/dbraw/zinc/14/79/78/191147978.db2.gz SXYYLNQQSPRWCL-HNNXBMFYSA-N 1 1 324.359 3.260 40 0 DGABMO Cc1cc(N)nc([C@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388529 191146181 /nfs/dbraw/zinc/14/61/81/191146181.db2.gz NYGKBBMJIKLVSZ-IBGZPJMESA-N 1 1 321.428 3.360 40 0 DGABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COC(C)C)C1 ZINC000107712805 432037625 /nfs/dbraw/zinc/03/76/25/432037625.db2.gz YIFJLDWXQHYNLK-MSOLQXFVSA-N 1 1 322.449 3.088 40 0 DGABMO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004882577 181167670 /nfs/dbraw/zinc/16/76/70/181167670.db2.gz PLCNUINTSSQPHW-ZXFUBFMLSA-N 1 1 317.408 3.495 40 0 DGABMO CCCCn1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257275559 203003986 /nfs/dbraw/zinc/00/39/86/203003986.db2.gz NPWVPACLSRVNPD-HNNXBMFYSA-N 1 1 301.438 3.094 40 0 DGABMO C[N@@H+]1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000257275826 203004615 /nfs/dbraw/zinc/00/46/15/203004615.db2.gz NRBSYXXQFCOAAG-ZDUSSCGKSA-N 1 1 316.792 3.149 40 0 DGABMO C[N@H+]1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000257275826 203004619 /nfs/dbraw/zinc/00/46/19/203004619.db2.gz 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203044978 /nfs/dbraw/zinc/04/49/78/203044978.db2.gz WCFJEBNAVGAOOI-CQSZACIVSA-N 1 1 301.438 3.163 40 0 DGABMO CCCCc1nc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257321577 203044983 /nfs/dbraw/zinc/04/49/83/203044983.db2.gz WCFJEBNAVGAOOI-CQSZACIVSA-N 1 1 301.438 3.163 40 0 DGABMO Cn1nccc1C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257344180 203066654 /nfs/dbraw/zinc/06/66/54/203066654.db2.gz ZWBPORIEGNZOAD-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO CCC(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019498377 182126271 /nfs/dbraw/zinc/12/62/71/182126271.db2.gz JZEXXJPTKCQXDZ-UHFFFAOYSA-N 1 1 316.445 3.061 40 0 DGABMO CC(C)n1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000019747877 182142656 /nfs/dbraw/zinc/14/26/56/182142656.db2.gz DMYXIFOLTVYZIX-HNNXBMFYSA-N 1 1 313.445 3.132 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1F ZINC000019932222 182166529 /nfs/dbraw/zinc/16/65/29/182166529.db2.gz FRZQRZBVTLYIDG-UHFFFAOYSA-N 1 1 309.344 3.250 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccccc1F ZINC000065740172 184378126 /nfs/dbraw/zinc/37/81/26/184378126.db2.gz ZLHNPJXNNCZOPP-UHFFFAOYSA-N 1 1 323.371 3.179 40 0 DGABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228171 257121163 /nfs/dbraw/zinc/12/11/63/257121163.db2.gz MZOUVGASVLXEPC-GJZGRUSLSA-N 1 1 320.314 3.116 40 0 DGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000072228086 257121351 /nfs/dbraw/zinc/12/13/51/257121351.db2.gz BGFGFQQCKOVOMF-JKSUJKDBSA-N 1 1 316.788 3.154 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227389 257122467 /nfs/dbraw/zinc/12/24/67/257122467.db2.gz WEWPEWXTXJDILC-KGLIPLIRSA-N 1 1 306.287 3.121 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227654 257122938 /nfs/dbraw/zinc/12/29/38/257122938.db2.gz PCHIHNKCUXGBPI-UONOGXRCSA-N 1 1 324.277 3.260 40 0 DGABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219346 257124244 /nfs/dbraw/zinc/12/42/44/257124244.db2.gz CAVHLMCWEMFQRB-KRWDZBQOSA-N 1 1 303.450 3.164 40 0 DGABMO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216607 257125138 /nfs/dbraw/zinc/12/51/38/257125138.db2.gz VPRYVECOXSEGBR-SFHVURJKSA-N 1 1 316.493 3.161 40 0 DGABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216607 257125139 /nfs/dbraw/zinc/12/51/39/257125139.db2.gz VPRYVECOXSEGBR-SFHVURJKSA-N 1 1 316.493 3.161 40 0 DGABMO Brc1ccc(Cn2cc(NC3=[NH+]CCC3)cn2)cc1 ZINC000217805079 257131209 /nfs/dbraw/zinc/13/12/09/257131209.db2.gz PVCJKUBOXBHTIX-UHFFFAOYSA-N 1 1 319.206 3.298 40 0 DGABMO O=C(c1ccccc1F)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238811214 257213680 /nfs/dbraw/zinc/21/36/80/257213680.db2.gz AIYNANIMJATURU-KRWDZBQOSA-N 1 1 324.399 3.099 40 0 DGABMO CC(C)Cc1ncc(-c2cnc(C[C@@H]3CC[N@@H+](C)C3)cn2)s1 ZINC000585261165 400129960 /nfs/dbraw/zinc/12/99/60/400129960.db2.gz VZVOBUPTSNTDQR-ZDUSSCGKSA-N 1 1 316.474 3.293 40 0 DGABMO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613710 275014114 /nfs/dbraw/zinc/01/41/14/275014114.db2.gz ZPOVXWTWTKKMPD-FQEVSTJZSA-N 1 1 320.436 3.350 40 0 DGABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000257222423 277038006 /nfs/dbraw/zinc/03/80/06/277038006.db2.gz DTFXZAHCBYFSHR-GOSISDBHSA-N 1 1 301.434 3.187 40 0 DGABMO COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1F)[NH2+]CC2 ZINC000020494132 277854887 /nfs/dbraw/zinc/85/48/87/277854887.db2.gz OITCZALDDAQQAM-KRWDZBQOSA-N 1 1 305.324 3.217 40 0 DGABMO C[NH+]1CCN(c2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 ZINC000000045690 431114992 /nfs/dbraw/zinc/11/49/92/431114992.db2.gz OBYNTFAIIAIHBH-UHFFFAOYSA-N 1 1 307.401 3.058 40 0 DGABMO COc1cc2c(cc1OC)[C@@H]1C[C@H](O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000005760071 431311591 /nfs/dbraw/zinc/31/15/91/431311591.db2.gz WEQLWGNDNRARGE-XIRDDKMYSA-N 1 1 319.445 3.030 40 0 world DGABMO CN(C)CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000008373889 431395594 /nfs/dbraw/zinc/39/55/94/431395594.db2.gz BDJHYXIDPVDSIS-UHFFFAOYSA-N 1 1 316.420 3.446 40 0 DGABMO OCC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccccc1 ZINC000012147577 431492799 /nfs/dbraw/zinc/49/27/99/431492799.db2.gz PWIFHFOBAOJNLE-UHFFFAOYSA-N 1 1 313.426 3.133 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000012239383 431495874 /nfs/dbraw/zinc/49/58/74/431495874.db2.gz GRQQYLLOZJIVLI-PHIMTYICSA-N 1 1 306.797 3.263 40 0 DGABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCCO)cc1 ZINC000012241388 431498855 /nfs/dbraw/zinc/49/88/55/431498855.db2.gz NFLIIOIQJIYSSV-ZDUSSCGKSA-N 1 1 303.427 3.239 40 0 DGABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000078578593 431684237 /nfs/dbraw/zinc/68/42/37/431684237.db2.gz LWSJRUAVEJFJDH-MRXNPFEDSA-N 1 1 322.408 3.198 40 0 DGABMO CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221056 431701852 /nfs/dbraw/zinc/70/18/52/431701852.db2.gz OHEIXLBMIIKYCY-DZGCQCFKSA-N 1 1 308.853 3.467 40 0 DGABMO COc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000028235403 431702151 /nfs/dbraw/zinc/70/21/51/431702151.db2.gz 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CCC[N@@H+]1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019738927 400186221 /nfs/dbraw/zinc/18/62/21/400186221.db2.gz LNISOGMBVWCKET-CYBMUJFWSA-N 1 1 303.381 3.327 40 0 DGABMO CCC[N@H+]1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019738927 400186226 /nfs/dbraw/zinc/18/62/26/400186226.db2.gz LNISOGMBVWCKET-CYBMUJFWSA-N 1 1 303.381 3.327 40 0 DGABMO CC[N@H+]1CC[C@H](C2(C(=O)OC)c3ccccc3-c3ccccc32)C1 ZINC000005640173 276221347 /nfs/dbraw/zinc/22/13/47/276221347.db2.gz VTXNXLIZQOUASX-HNNXBMFYSA-N 1 1 321.420 3.468 40 0 DGABMO Oc1ccccc1-c1[nH+]c2ccccn2c1NC[C@H]1CCCO1 ZINC000000883902 431210370 /nfs/dbraw/zinc/21/03/70/431210370.db2.gz HKFQCAZLZUINDW-CYBMUJFWSA-N 1 1 309.369 3.298 40 0 DGABMO Cc1ccc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)o1 ZINC000012183908 431493212 /nfs/dbraw/zinc/49/32/12/431493212.db2.gz XYVZLTCOLOOOOA-CQSZACIVSA-N 1 1 312.369 3.333 40 0 DGABMO O=C1N(C2CCCCC2)C[C@H]2C[N@H+](Cc3cccs3)CCN12 ZINC000077266887 431577046 /nfs/dbraw/zinc/57/70/46/431577046.db2.gz RMUNPNRFAAJQBX-OAHLLOKOSA-N 1 1 319.474 3.003 40 0 biogenic,in-vitro DGABMO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](Cc3cccs3)CCN12 ZINC000077266887 431577054 /nfs/dbraw/zinc/57/70/54/431577054.db2.gz RMUNPNRFAAJQBX-OAHLLOKOSA-N 1 1 319.474 3.003 40 0 biogenic,in-vitro DGABMO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](CC(C)C)C3)oc21 ZINC000035446945 431829794 /nfs/dbraw/zinc/82/97/94/431829794.db2.gz ICCFVMJZRXYCJK-LBPRGKRZSA-N 1 1 302.374 3.060 40 0 biogenic,in-vitro DGABMO CC(C)c1ccc(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000036614028 431839149 /nfs/dbraw/zinc/83/91/49/431839149.db2.gz VQTMZYPGFBMIJF-GOSISDBHSA-N 1 1 300.446 3.049 40 0 DGABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 ZINC000096046259 431935667 /nfs/dbraw/zinc/93/56/67/431935667.db2.gz CGTDIADXQOHQKB-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 ZINC000096046259 431935669 /nfs/dbraw/zinc/93/56/69/431935669.db2.gz CGTDIADXQOHQKB-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO 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[NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl ZINC000072227973 257122333 /nfs/dbraw/zinc/12/23/33/257122333.db2.gz CCUIYCTZMBUXPJ-KGLIPLIRSA-N 1 1 307.180 3.409 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227489 257122929 /nfs/dbraw/zinc/12/29/29/257122929.db2.gz FYNFMFOMPCYPJZ-CABCVRRESA-N 1 1 320.314 3.429 40 0 DGABMO Brc1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC000040443335 257129395 /nfs/dbraw/zinc/12/93/95/257129395.db2.gz VRYMDAKGUVNNDJ-LLVKDONJSA-N 1 1 308.179 3.314 40 0 DGABMO c1csc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CC3)c1 ZINC000000038307 285569018 /nfs/dbraw/zinc/56/90/18/285569018.db2.gz JOYADHHGLLIJAF-INIZCTEOSA-N 1 1 306.394 3.365 40 0 DGABMO CO[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585278374 400130203 /nfs/dbraw/zinc/13/02/03/400130203.db2.gz ROVSBHZYWAPIRV-MJGOQNOKSA-N 1 1 313.445 3.106 40 0 DGABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](C3CCC3)CC2)c(C)c1 ZINC000585280934 400130503 /nfs/dbraw/zinc/13/05/03/400130503.db2.gz CYXAMIJGQBWKAO-IBGZPJMESA-N 1 1 303.446 3.452 40 0 DGABMO Cc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)no1 ZINC000585269059 400130678 /nfs/dbraw/zinc/13/06/78/400130678.db2.gz JETYZJKABGLNNC-IRXDYDNUSA-N 1 1 320.820 3.204 40 0 DGABMO CCC[N@H+]1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 ZINC000019738928 400186969 /nfs/dbraw/zinc/18/69/69/400186969.db2.gz LNISOGMBVWCKET-ZDUSSCGKSA-N 1 1 303.381 3.327 40 0 DGABMO CCC[N@@H+]1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019738928 400186974 /nfs/dbraw/zinc/18/69/74/400186974.db2.gz LNISOGMBVWCKET-ZDUSSCGKSA-N 1 1 303.381 3.327 40 0 DGABMO CCC[N@H+]1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019738928 400186978 /nfs/dbraw/zinc/18/69/78/400186978.db2.gz LNISOGMBVWCKET-ZDUSSCGKSA-N 1 1 303.381 3.327 40 0 DGABMO COC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000038247907 400394688 /nfs/dbraw/zinc/39/46/88/400394688.db2.gz OBKSTEOVEUUBBH-QGZVFWFLSA-N 1 1 301.361 3.200 40 0 DGABMO c1csc(C[N@H+]2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)c1 ZINC000306134014 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[NH3+][C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 ZINC000072227109 257122417 /nfs/dbraw/zinc/12/24/17/257122417.db2.gz XSTYFAKLOQDJDA-KBPBESRZSA-N 1 1 306.287 3.121 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227981 257122429 /nfs/dbraw/zinc/12/24/29/257122429.db2.gz HRHQAAAKUDMQAK-KGLIPLIRSA-N 1 1 307.180 3.409 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227980 257122721 /nfs/dbraw/zinc/12/27/21/257122721.db2.gz HRHQAAAKUDMQAK-ZIAGYGMSSA-N 1 1 307.180 3.409 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC000072227118 257122856 /nfs/dbraw/zinc/12/28/56/257122856.db2.gz VROHEIWMFYHSQD-VXGBXAGGSA-N 1 1 312.316 3.182 40 0 DGABMO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1C ZINC000072219315 257124314 /nfs/dbraw/zinc/12/43/14/257124314.db2.gz DSVNUYAPXWVUSS-QGZVFWFLSA-N 1 1 301.434 3.454 40 0 DGABMO CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1cc(F)cc(F)c1 ZINC000585108979 400125263 /nfs/dbraw/zinc/12/52/63/400125263.db2.gz JXTDCDQVOQWQFC-IRXDYDNUSA-N 1 1 322.399 3.186 40 0 DGABMO CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221060 400287370 /nfs/dbraw/zinc/28/73/70/400287370.db2.gz OHEIXLBMIIKYCY-HIFRSBDPSA-N 1 1 308.853 3.467 40 0 DGABMO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218868197 400952196 /nfs/dbraw/zinc/95/21/96/400952196.db2.gz RRNLSOSWIHMGHJ-MKXGPGLRSA-N 1 1 302.462 3.374 40 0 DGABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](C1CCCC1)C2 ZINC000225489617 292335761 /nfs/dbraw/zinc/33/57/61/292335761.db2.gz NFAOPMJLRCUFJV-INIZCTEOSA-N 1 1 300.402 3.469 40 0 biogenic,in-vitro DGABMO c1c[nH]c(-c2nccnc2C[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000257317777 275063541 /nfs/dbraw/zinc/06/35/41/275063541.db2.gz VLBYRLCRGGPNGM-AWEZNQCLSA-N 1 1 311.433 3.064 40 0 DGABMO c1cc(CN2CCC[C@@]3(CCC[N@H+]3Cc3ccncc3)C2)co1 ZINC000096214915 275064177 /nfs/dbraw/zinc/06/41/77/275064177.db2.gz BKWKSEVTCGYGBF-LJQANCHMSA-N 1 1 311.429 3.305 40 0 DGABMO c1cc(C[N@H+]2CCC[C@@]3(CCCN3Cc3ccncc3)C2)co1 ZINC000096214915 275064178 /nfs/dbraw/zinc/06/41/78/275064178.db2.gz BKWKSEVTCGYGBF-LJQANCHMSA-N 1 1 311.429 3.305 40 0 DGABMO c1cc(C[N@@H+]2CCC[C@@]3(CCCN3Cc3ccncc3)C2)co1 ZINC000096214915 275064179 /nfs/dbraw/zinc/06/41/79/275064179.db2.gz BKWKSEVTCGYGBF-LJQANCHMSA-N 1 1 311.429 3.305 40 0 DGABMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000008570127 278884330 /nfs/dbraw/zinc/88/43/30/278884330.db2.gz YTMAUIPJKCYPRM-VXGBXAGGSA-N 1 1 303.431 3.213 40 0 DGABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2ccccc2)C2(C1)CCCCC2 ZINC000257261901 279046120 /nfs/dbraw/zinc/04/61/20/279046120.db2.gz LJFYRGNUJFDBPM-GOSISDBHSA-N 1 1 314.473 3.485 40 0 DGABMO CC[N@@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)C1CCCCC1 ZINC000001475576 431228339 /nfs/dbraw/zinc/22/83/39/431228339.db2.gz JYXKEGINCUOKHZ-SFHVURJKSA-N 1 1 319.445 3.284 40 0 DGABMO Cc1ccc(C(=O)[C@H]2C[N@@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000001727260 431239078 /nfs/dbraw/zinc/23/90/78/431239078.db2.gz SWFNNRQTSSTAGB-CTNGQTDRSA-N 1 1 323.436 3.326 40 0 DGABMO COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@H]3[N@H+](C)CC2 ZINC000001859101 431239207 /nfs/dbraw/zinc/23/92/07/431239207.db2.gz TWHQHABOPHKTTM-OAHLLOKOSA-N 1 1 311.381 3.162 40 0 DGABMO COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@H]3[N@@H+](C)CC2 ZINC000001859101 431239216 /nfs/dbraw/zinc/23/92/16/431239216.db2.gz TWHQHABOPHKTTM-OAHLLOKOSA-N 1 1 311.381 3.162 40 0 DGABMO COc1cc(C=O)ccc1OCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008731457 431409005 /nfs/dbraw/zinc/40/90/05/431409005.db2.gz OORCWKMBMDLTPT-GASCZTMLSA-N 1 1 305.418 3.255 40 0 DGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000014982445 431597610 /nfs/dbraw/zinc/59/76/10/431597610.db2.gz ZZHFJTWJGFOXMO-BBRMVZONSA-N 1 1 306.837 3.334 40 0 DGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000044932119 431879226 /nfs/dbraw/zinc/87/92/26/431879226.db2.gz XUPHEQWIRJYVDN-UHFFFAOYSA-N 1 1 323.371 3.309 40 0 DGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccccc2Cl)C1 ZINC000046961511 431903951 /nfs/dbraw/zinc/90/39/51/431903951.db2.gz RPDAYYMXQPAVOI-CQSZACIVSA-N 1 1 308.853 3.121 40 0 DGABMO COc1ccccc1-c1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095533998 431926035 /nfs/dbraw/zinc/92/60/35/431926035.db2.gz COMPKOMZFLQGKZ-CQSZACIVSA-N 1 1 314.776 3.182 40 0 DGABMO Cc1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000097953898 431975019 /nfs/dbraw/zinc/97/50/19/431975019.db2.gz UFQJPTOBGCWOTG-USXIJHARSA-N 1 1 315.442 3.199 40 0 DGABMO Cc1ccsc1C[N@@H+]1CC[C@H]2O[C@@H](c3nnc(C)o3)CC[C@H]21 ZINC000097953621 431975046 /nfs/dbraw/zinc/97/50/46/431975046.db2.gz NAOIZLFJJHBBIO-MGPQQGTHSA-N 1 1 319.430 3.243 40 0 DGABMO c1csc(CN2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049469 431934934 /nfs/dbraw/zinc/93/49/34/431934934.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 1 1 320.502 3.073 40 0 DGABMO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3O2)n1 ZINC000096046083 431935003 /nfs/dbraw/zinc/93/50/03/431935003.db2.gz DSDXVUTXRLCNMD-NUEKZKHPSA-N 1 1 315.442 3.199 40 0 DGABMO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3O2)n1 ZINC000096046083 431935005 /nfs/dbraw/zinc/93/50/05/431935005.db2.gz DSDXVUTXRLCNMD-NUEKZKHPSA-N 1 1 315.442 3.199 40 0 DGABMO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)s1)CCO2 ZINC000096051871 431935634 /nfs/dbraw/zinc/93/56/34/431935634.db2.gz DNZCVOFYOLJAFX-DOTOQJQBSA-N 1 1 309.475 3.464 40 0 DGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096039799 431935803 /nfs/dbraw/zinc/93/58/03/431935803.db2.gz AXHWVVFYWPBOKW-ZWKOTPCHSA-N 1 1 305.418 3.077 40 0 DGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)co1 ZINC000096039801 431935872 /nfs/dbraw/zinc/93/58/72/431935872.db2.gz IIGWTLYDUWSVMC-ZWKOTPCHSA-N 1 1 305.418 3.077 40 0 DGABMO FC1(F)CC[N@@H+](CC2CC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051135 431935974 /nfs/dbraw/zinc/93/59/74/431935974.db2.gz BVOLRCASRQZKOC-INIZCTEOSA-N 1 1 307.388 3.029 40 0 DGABMO c1cc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cs1 ZINC000096059016 431936787 /nfs/dbraw/zinc/93/67/87/431936787.db2.gz MLPPREVSHIWZCT-UHFFFAOYSA-N 1 1 317.458 3.277 40 0 DGABMO c1cc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cs1 ZINC000096059016 431936788 /nfs/dbraw/zinc/93/67/88/431936788.db2.gz MLPPREVSHIWZCT-UHFFFAOYSA-N 1 1 317.458 3.277 40 0 DGABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1=O ZINC000096100293 431938061 /nfs/dbraw/zinc/93/80/61/431938061.db2.gz BIXZCABVYXZFFJ-FQEVSTJZSA-N 1 1 324.424 3.426 40 0 DGABMO Cc1cc2nc(CO[C@H]3C[N@@H+](CC4CC4)C[C@H]3F)[nH]c2cc1C ZINC000096112352 431938640 /nfs/dbraw/zinc/93/86/40/431938640.db2.gz VSZSPPZUTKXHKX-PBHICJAKSA-N 1 1 317.408 3.129 40 0 biogenic,in-vitro DGABMO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)s1 ZINC000096184431 431941314 /nfs/dbraw/zinc/94/13/14/431941314.db2.gz ZZQVKAIIYDUJJZ-ZWKOTPCHSA-N 1 1 320.502 3.132 40 0 DGABMO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096198007 431941790 /nfs/dbraw/zinc/94/17/90/431941790.db2.gz JWGPTMMFNZGUTF-HNNXBMFYSA-N 1 1 317.458 3.008 40 0 DGABMO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096198007 431941792 /nfs/dbraw/zinc/94/17/92/431941792.db2.gz JWGPTMMFNZGUTF-HNNXBMFYSA-N 1 1 317.458 3.008 40 0 DGABMO CCC(CC)C[N@H+]1CCc2nc(N3CCCC3)nc(C)c2C1 ZINC000096253855 431943421 /nfs/dbraw/zinc/94/34/21/431943421.db2.gz DJAPCRUAYAQFQE-UHFFFAOYSA-N 1 1 302.466 3.180 40 0 DGABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)o1 ZINC000096248809 431943494 /nfs/dbraw/zinc/94/34/94/431943494.db2.gz DEYNHGGMZCKUOP-MOPGFXCFSA-N 1 1 318.461 3.053 40 0 DGABMO c1csc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC000096255307 431943633 /nfs/dbraw/zinc/94/36/33/431943633.db2.gz FJBUETHQHGCUCG-UHFFFAOYSA-N 1 1 322.437 3.201 40 0 DGABMO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@H+](CC(C)C)C2)n1C ZINC000257216535 432419192 /nfs/dbraw/zinc/41/91/92/432419192.db2.gz CUYJRMQPNXLDML-OAHLLOKOSA-N 1 1 313.449 3.021 40 0 DGABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCc2ccccc2)nc1 ZINC000257245415 432421940 /nfs/dbraw/zinc/42/19/40/432421940.db2.gz IPJNIXWNOHHSGB-FQEVSTJZSA-N 1 1 323.440 3.097 40 0 DGABMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257239877 432422132 /nfs/dbraw/zinc/42/21/32/432422132.db2.gz HRERDMDWGFNDGW-MRXNPFEDSA-N 1 1 319.412 3.246 40 0 DGABMO c1ccc(N2CCCC2)c(C[N@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000257248848 432423014 /nfs/dbraw/zinc/42/30/14/432423014.db2.gz JFMSYOCOTBTENN-KRWDZBQOSA-N 1 1 322.456 3.456 40 0 DGABMO CO[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@@]12CCCO2 ZINC000257256279 432423204 /nfs/dbraw/zinc/42/32/04/432423204.db2.gz KKUNSQHUGVMACG-OALUTQOASA-N 1 1 312.413 3.005 40 0 DGABMO CNc1cncc([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257259387 432425167 /nfs/dbraw/zinc/42/51/67/432425167.db2.gz KYDRNHMCMRIKMR-KRWDZBQOSA-N 1 1 322.412 3.131 40 0 DGABMO Cc1ccc(C)c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225052602 432687100 /nfs/dbraw/zinc/68/71/00/432687100.db2.gz IVWZMULUGWZZCN-IYBDPMFKSA-N 1 1 302.462 3.401 40 0 DGABMO CCNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C)n1 ZINC000329043682 434350813 /nfs/dbraw/zinc/35/08/13/434350813.db2.gz SUCZKEAABIVNHW-UHFFFAOYSA-N 1 1 302.809 3.433 40 0 DGABMO CN1CC[NH+](Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216789557 546262502 /nfs/dbraw/zinc/26/25/02/546262502.db2.gz BXXUPGRULHQISE-UHFFFAOYSA-N 1 1 307.397 3.242 40 0 DGABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1CCF ZINC000585100261 547024570 /nfs/dbraw/zinc/02/45/70/547024570.db2.gz JDDNHNMYXSBGJQ-SFHVURJKSA-N 1 1 322.399 3.142 40 0 DGABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099577 547025207 /nfs/dbraw/zinc/02/52/07/547025207.db2.gz RARTZFNNBWIKOG-KRWDZBQOSA-N 1 1 321.490 3.004 40 0 DGABMO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000225651097 186286586 /nfs/dbraw/zinc/28/65/86/186286586.db2.gz XNYJXWRXISONGV-CQSZACIVSA-N 1 1 302.462 3.464 40 0 DGABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358495 191130755 /nfs/dbraw/zinc/13/07/55/191130755.db2.gz AQVJPMDTEBXMHK-AWEZNQCLSA-N 1 1 315.392 3.109 40 0 DGABMO c1cnc(Nc2nccnc2[C@@H]2CCC[N@H+]2C2CCCC2)nc1 ZINC000072363427 191132298 /nfs/dbraw/zinc/13/22/98/191132298.db2.gz CKTCISJCGWOTGW-AWEZNQCLSA-N 1 1 310.405 3.090 40 0 DGABMO c1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C2CCCC2)nc1 ZINC000072363427 191132300 /nfs/dbraw/zinc/13/23/00/191132300.db2.gz CKTCISJCGWOTGW-AWEZNQCLSA-N 1 1 310.405 3.090 40 0 DGABMO Cn1cc(C[N@H+]2CC[C@@H](Cc3cnc4ccccc4c3)C2)cn1 ZINC000072368001 191136596 /nfs/dbraw/zinc/13/65/96/191136596.db2.gz KIEFWYOWKACWRZ-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO c1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](c3cnccn3)C1)CO2 ZINC000072369386 191139065 /nfs/dbraw/zinc/13/90/65/191139065.db2.gz SCVWAXSAXCTDRJ-KRWDZBQOSA-N 1 1 307.397 3.132 40 0 DGABMO Cc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369981 191140091 /nfs/dbraw/zinc/14/00/91/191140091.db2.gz ASGGXSIOFWYGLZ-QGZVFWFLSA-N 1 1 320.396 3.430 40 0 DGABMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378648 191141396 /nfs/dbraw/zinc/14/13/96/191141396.db2.gz ADTPQXILKPSZKF-KRWDZBQOSA-N 1 1 323.375 3.139 40 0 DGABMO 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DGABMO OC[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CCCC2)C1 ZINC000013266550 431551761 /nfs/dbraw/zinc/55/17/61/431551761.db2.gz APEUHSUJFXJLLX-CQSZACIVSA-N 1 1 313.445 3.425 40 0 DGABMO C[C@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570638 431682937 /nfs/dbraw/zinc/68/29/37/431682937.db2.gz NIUIYONNBJSBMH-BHYGNILZSA-N 1 1 306.494 3.439 40 0 DGABMO O=C(Nc1cccc(Cl)c1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932261 431697530 /nfs/dbraw/zinc/69/75/30/431697530.db2.gz VAUQIZLZRUGCKA-SNVBAGLBSA-N 1 1 314.216 3.305 40 0 DGABMO COc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000028235408 431703979 /nfs/dbraw/zinc/70/39/79/431703979.db2.gz PDELKVMJYMNUGE-GOSISDBHSA-N 1 1 310.397 3.298 40 0 DGABMO O=C(c1ccc(Cl)cc1)[C@@H]([NH2+]CCO)c1ccc(Cl)cc1 ZINC000031911498 431768906 /nfs/dbraw/zinc/76/89/06/431768906.db2.gz OCPPTXZIUZMRKT-HNNXBMFYSA-N 1 1 324.207 3.499 40 0 DGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC000044912419 431879255 /nfs/dbraw/zinc/87/92/55/431879255.db2.gz 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/nfs/dbraw/zinc/94/21/83/431942183.db2.gz VUBZJGPEXNLPEH-INIZCTEOSA-N 1 1 317.458 3.008 40 0 DGABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096198270 431942185 /nfs/dbraw/zinc/94/21/85/431942185.db2.gz VUBZJGPEXNLPEH-INIZCTEOSA-N 1 1 317.458 3.008 40 0 DGABMO C[NH+](C)[C@@H]1CCO[C@]2(CCN(Cc3cccc(Cl)c3)C2)C1 ZINC000096205912 431942472 /nfs/dbraw/zinc/94/24/72/431942472.db2.gz WWILGHLDWMESNJ-IAGOWNOFSA-N 1 1 308.853 3.025 40 0 DGABMO COC[C@H]1Cn2cncc2C[N@@H+](Cc2cccc3ccccc32)C1 ZINC000096217327 431942648 /nfs/dbraw/zinc/94/26/48/431942648.db2.gz USXTUELYOGRYDB-MRXNPFEDSA-N 1 1 321.424 3.315 40 0 DGABMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)c(C)o1 ZINC000096215286 431942946 /nfs/dbraw/zinc/94/29/46/431942946.db2.gz BGUCKWGITLXTNO-LJQANCHMSA-N 1 1 318.461 3.481 40 0 DGABMO c1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)nc1 ZINC000096200782 431943113 /nfs/dbraw/zinc/94/31/13/431943113.db2.gz MHBPNDQUINLXBB-PMACEKPBSA-N 1 1 323.440 3.089 40 0 DGABMO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096198269 431943236 /nfs/dbraw/zinc/94/32/36/431943236.db2.gz VUBZJGPEXNLPEH-MRXNPFEDSA-N 1 1 317.458 3.008 40 0 DGABMO Cn1ncc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096198269 431943237 /nfs/dbraw/zinc/94/32/37/431943237.db2.gz VUBZJGPEXNLPEH-MRXNPFEDSA-N 1 1 317.458 3.008 40 0 DGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)o1 ZINC000248111962 432269010 /nfs/dbraw/zinc/26/90/10/432269010.db2.gz RAZHYSOHYBRNIU-RYQLBKOJSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)o1 ZINC000248111962 432269012 /nfs/dbraw/zinc/26/90/12/432269012.db2.gz RAZHYSOHYBRNIU-RYQLBKOJSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1ccc(CN2CC[C@@]3(c4ccccc4)CC[N@H+](C)[C@H]3C2)o1 ZINC000248122918 432270538 /nfs/dbraw/zinc/27/05/38/432270538.db2.gz KPSAMBPHSBLLJS-VQTJNVASSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122918 432270539 /nfs/dbraw/zinc/27/05/39/432270539.db2.gz KPSAMBPHSBLLJS-VQTJNVASSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122918 432270543 /nfs/dbraw/zinc/27/05/43/432270543.db2.gz KPSAMBPHSBLLJS-VQTJNVASSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000059457407 431999243 /nfs/dbraw/zinc/99/92/43/431999243.db2.gz POERYODLYNYSOH-GXDHUFHOSA-N 1 1 302.399 3.085 40 0 DGABMO CCN1CCC[C@@H]1C[N@H+](Cc1cccs1)C[C@H]1CCOC1 ZINC000249697134 432353637 /nfs/dbraw/zinc/35/36/37/432353637.db2.gz UKUKYVWIMRXJCB-HZPDHXFCSA-N 1 1 308.491 3.071 40 0 DGABMO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)C[C@H]1CCOC1 ZINC000249697134 432353641 /nfs/dbraw/zinc/35/36/41/432353641.db2.gz UKUKYVWIMRXJCB-HZPDHXFCSA-N 1 1 308.491 3.071 40 0 DGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)C[C@H]1CCOC1 ZINC000249697134 432353644 /nfs/dbraw/zinc/35/36/44/432353644.db2.gz UKUKYVWIMRXJCB-HZPDHXFCSA-N 1 1 308.491 3.071 40 0 DGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000257220265 432417960 /nfs/dbraw/zinc/41/79/60/432417960.db2.gz DKFFIMIDBABFCA-QGZVFWFLSA-N 1 1 312.417 3.254 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@H+](C)C3)n2)n1 ZINC000257209391 432418089 /nfs/dbraw/zinc/41/80/89/432418089.db2.gz BQECITBXRFDPKL-GFCCVEGCSA-N 1 1 303.435 3.103 40 0 DGABMO Cc1ccnc([C@@H]2CC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234966 432420170 /nfs/dbraw/zinc/42/01/70/432420170.db2.gz GVUSMAYNLZYKPL-OAHLLOKOSA-N 1 1 306.413 3.266 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257246449 432422068 /nfs/dbraw/zinc/42/20/68/432422068.db2.gz IUEUALPPSSKHED-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257246449 432422073 /nfs/dbraw/zinc/42/20/73/432422073.db2.gz IUEUALPPSSKHED-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]n1 ZINC000257246449 432422077 /nfs/dbraw/zinc/42/20/77/432422077.db2.gz IUEUALPPSSKHED-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO CC(=O)N1CC[N@H+](Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000257254513 432422389 /nfs/dbraw/zinc/42/23/89/432422389.db2.gz KDKVGSYDHDBQAO-KRWDZBQOSA-N 1 1 300.427 3.154 40 0 DGABMO CC(=O)N1CC[N@@H+](Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000257254513 432422393 /nfs/dbraw/zinc/42/23/93/432422393.db2.gz KDKVGSYDHDBQAO-KRWDZBQOSA-N 1 1 300.427 3.154 40 0 DGABMO Cc1cncc(C2CC[NH+](Cc3nc4ccccc4n3C)CC2)n1 ZINC000257243765 432422594 /nfs/dbraw/zinc/42/25/94/432422594.db2.gz IILURCPVHGRGOB-UHFFFAOYSA-N 1 1 321.428 3.051 40 0 DGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257240615 432422930 /nfs/dbraw/zinc/42/29/30/432422930.db2.gz HUIHIKTYEBGZAW-OAHLLOKOSA-N 1 1 317.408 3.256 40 0 DGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c1F ZINC000257238101 432423265 /nfs/dbraw/zinc/42/32/65/432423265.db2.gz HJPDWEFNZYROFS-CQSZACIVSA-N 1 1 303.381 3.245 40 0 DGABMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257239814 432423311 /nfs/dbraw/zinc/42/33/11/432423311.db2.gz HQXNUBLCMXLFDR-OAHLLOKOSA-N 1 1 306.413 3.033 40 0 DGABMO CCn1nccc1-c1cnc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257255914 432423321 /nfs/dbraw/zinc/42/33/21/432423321.db2.gz KJJUSHRAQHUNEV-HNNXBMFYSA-N 1 1 313.449 3.023 40 0 DGABMO c1cc2cc(C[C@H]3COCC[N@@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331910 432424321 /nfs/dbraw/zinc/42/43/21/432424321.db2.gz XUUITLPNWSKXAI-GOSISDBHSA-N 1 1 321.424 3.254 40 0 DGABMO COc1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260732880 432426720 /nfs/dbraw/zinc/42/67/20/432426720.db2.gz CHZIOKDGTTXSCT-AWEZNQCLSA-N 1 1 321.490 3.104 40 0 DGABMO Cc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140225 434083071 /nfs/dbraw/zinc/08/30/71/434083071.db2.gz UNIZCVOBSDJNGN-MSOLQXFVSA-N 1 1 307.441 3.373 40 0 DGABMO c1nc(C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c[nH]1 ZINC000371334907 434670884 /nfs/dbraw/zinc/67/08/84/434670884.db2.gz HRIRVGIFYJOPQJ-UHFFFAOYSA-N 1 1 307.401 3.179 40 0 DGABMO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccccc2OC)C1 ZINC000585095571 547025553 /nfs/dbraw/zinc/02/55/53/547025553.db2.gz XVKQINZXFXIZHC-INIZCTEOSA-N 1 1 314.429 3.165 40 0 DGABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccccc2OC)C1 ZINC000585095571 547025556 /nfs/dbraw/zinc/02/55/56/547025556.db2.gz XVKQINZXFXIZHC-INIZCTEOSA-N 1 1 314.429 3.165 40 0 DGABMO COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3[N@H+](C)CC2 ZINC000000338145 1192564121 /nfs/dbraw/zinc/56/41/21/1192564121.db2.gz UPZUXWDNFBPUNP-OAHLLOKOSA-N 1 1 311.381 3.162 40 0 biogenic,in-vitro DGABMO COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3[N@@H+](C)CC2 ZINC000000338145 1192564124 /nfs/dbraw/zinc/56/41/24/1192564124.db2.gz UPZUXWDNFBPUNP-OAHLLOKOSA-N 1 1 311.381 3.162 40 0 biogenic,in-vitro DGABMO CCOCC[C@@H]1CCOC12C[NH+](Cc1cccc3[nH]ccc31)C2 ZINC000253382188 186302332 /nfs/dbraw/zinc/30/23/32/186302332.db2.gz HFHCJNAIIPSFNM-MRXNPFEDSA-N 1 1 314.429 3.185 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072368075 191136490 /nfs/dbraw/zinc/13/64/90/191136490.db2.gz BZTWMVPVOKDBMO-OAHLLOKOSA-N 1 1 306.413 3.033 40 0 DGABMO Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)CC2)n1 ZINC000072367313 191137362 /nfs/dbraw/zinc/13/73/62/191137362.db2.gz VOMCGPWXMFWPMR-QGZVFWFLSA-N 1 1 321.490 3.032 40 0 DGABMO Cc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369982 191139077 /nfs/dbraw/zinc/13/90/77/191139077.db2.gz ASGGXSIOFWYGLZ-KRWDZBQOSA-N 1 1 320.396 3.430 40 0 DGABMO c1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369820 191140133 /nfs/dbraw/zinc/14/01/33/191140133.db2.gz YIDVCSXXHXSMFX-INIZCTEOSA-N 1 1 306.369 3.121 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389888 191148122 /nfs/dbraw/zinc/14/81/22/191148122.db2.gz DDCDEIOONSWKIP-QGZVFWFLSA-N 1 1 320.396 3.430 40 0 DGABMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000067801126 432040776 /nfs/dbraw/zinc/04/07/76/432040776.db2.gz XCTBVQRSGNTTDV-AWEZNQCLSA-N 1 1 310.825 3.439 40 0 DGABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000067801126 432040781 /nfs/dbraw/zinc/04/07/81/432040781.db2.gz XCTBVQRSGNTTDV-AWEZNQCLSA-N 1 1 310.825 3.439 40 0 DGABMO CC[N@H+]1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257276283 203003682 /nfs/dbraw/zinc/00/36/82/203003682.db2.gz NTCJVWFUVOWCJK-LBPRGKRZSA-N 1 1 303.435 3.103 40 0 DGABMO CCCn1nccc1-c1cnc(C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257274967 203003916 /nfs/dbraw/zinc/00/39/16/203003916.db2.gz NNKWMHLCWLUXNK-HNNXBMFYSA-N 1 1 313.449 3.023 40 0 DGABMO Cc1cccnc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257307883 203031487 /nfs/dbraw/zinc/03/14/87/203031487.db2.gz TUMOOGZRRHJRNN-HHXXYDBFSA-N 1 1 309.413 3.074 40 0 DGABMO Cc1c[nH]c([C@@H]2CC[N@@H+](CCCOc3ccccc3F)C2)n1 ZINC000257307670 203033044 /nfs/dbraw/zinc/03/30/44/203033044.db2.gz SZTHSSLLQWEVSI-CQSZACIVSA-N 1 1 303.381 3.116 40 0 DGABMO Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257277359 203007166 /nfs/dbraw/zinc/00/71/66/203007166.db2.gz NXRDEQNZIRBCJA-HNNXBMFYSA-N 1 1 313.449 3.146 40 0 DGABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@]2(C)c2nccc(C)n2)cc1 ZINC000257280703 203009057 /nfs/dbraw/zinc/00/90/57/203009057.db2.gz OLZWWVNAVBZFBF-IBGZPJMESA-N 1 1 324.428 3.255 40 0 DGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@]2(C)c2nccc(C)n2)cc1 ZINC000257280703 203009061 /nfs/dbraw/zinc/00/90/61/203009061.db2.gz OLZWWVNAVBZFBF-IBGZPJMESA-N 1 1 324.428 3.255 40 0 DGABMO C[N@H+]1CCC[C@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 ZINC000257293967 203019475 /nfs/dbraw/zinc/01/94/75/203019475.db2.gz QRWXPGJKAJPCGF-KRWDZBQOSA-N 1 1 301.434 3.255 40 0 DGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@H]32)nc1 ZINC000019215965 182107974 /nfs/dbraw/zinc/10/79/74/182107974.db2.gz ODRJXSCURGGIED-RMJJICAUSA-N 1 1 312.457 3.276 40 0 DGABMO Fc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCOCC2)cc1 ZINC000019345211 182117827 /nfs/dbraw/zinc/11/78/27/182117827.db2.gz FURHCRYTCUGALB-UHFFFAOYSA-N 1 1 311.360 3.201 40 0 DGABMO c1cnc(-c2nnc([C@@H]3CCC[N@@H+]3CC3CCCCC3)o2)cn1 ZINC000019403871 182121255 /nfs/dbraw/zinc/12/12/55/182121255.db2.gz XXBAKYDBKFBRMJ-HNNXBMFYSA-N 1 1 313.405 3.244 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044140348 183396659 /nfs/dbraw/zinc/39/66/59/183396659.db2.gz ZABLUNIABZRMSM-GASCZTMLSA-N 1 1 305.491 3.341 40 0 DGABMO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000242649024 257120300 /nfs/dbraw/zinc/12/03/00/257120300.db2.gz RRNLSOSWIHMGHJ-XWSJACJDSA-N 1 1 302.462 3.374 40 0 DGABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227503 257122232 /nfs/dbraw/zinc/12/22/32/257122232.db2.gz YLGCKJATDXAZLX-GJZGRUSLSA-N 1 1 320.314 3.429 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 ZINC000072227775 257122536 /nfs/dbraw/zinc/12/25/36/257122536.db2.gz WRVZLCBXJSDZFA-KBPBESRZSA-N 1 1 307.180 3.409 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000072227972 257122636 /nfs/dbraw/zinc/12/26/36/257122636.db2.gz CCUIYCTZMBUXPJ-ZIAGYGMSSA-N 1 1 307.180 3.409 40 0 DGABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219405 257123930 /nfs/dbraw/zinc/12/39/30/257123930.db2.gz GEVJWNIUWFIIGQ-QGZVFWFLSA-N 1 1 303.450 3.164 40 0 DGABMO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@@H+]2C)C1 ZINC000585101845 400126082 /nfs/dbraw/zinc/12/60/82/400126082.db2.gz IWUXNTVJSSXQOU-SFHVURJKSA-N 1 1 304.434 3.196 40 0 DGABMO CC(C)(C)OC(=O)N1CCCC12C[NH+](Cc1ccccc1)C2 ZINC000146594085 400650295 /nfs/dbraw/zinc/65/02/95/400650295.db2.gz KPPGCFFXEMOLAU-UHFFFAOYSA-N 1 1 302.418 3.272 40 0 DGABMO COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@@H]3[N@H+](C)CC2 ZINC000002028000 274102484 /nfs/dbraw/zinc/10/24/84/274102484.db2.gz TWHQHABOPHKTTM-HNNXBMFYSA-N 1 1 311.381 3.162 40 0 DGABMO COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@@H]3[N@@H+](C)CC2 ZINC000002028000 274102485 /nfs/dbraw/zinc/10/24/85/274102485.db2.gz TWHQHABOPHKTTM-HNNXBMFYSA-N 1 1 311.381 3.162 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000012115735 431490113 /nfs/dbraw/zinc/49/01/13/431490113.db2.gz NESMGWJEJUYHGW-QGZVFWFLSA-N 1 1 319.412 3.246 40 0 DGABMO c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000012115735 431490118 /nfs/dbraw/zinc/49/01/18/431490118.db2.gz NESMGWJEJUYHGW-QGZVFWFLSA-N 1 1 319.412 3.246 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000012115735 431490122 /nfs/dbraw/zinc/49/01/22/431490122.db2.gz NESMGWJEJUYHGW-QGZVFWFLSA-N 1 1 319.412 3.246 40 0 DGABMO CCCc1ncc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188466 431495840 /nfs/dbraw/zinc/49/58/40/431495840.db2.gz YEDKQXWESNYELP-UHFFFAOYSA-N 1 1 322.412 3.315 40 0 DGABMO CCCc1ncc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188466 431495849 /nfs/dbraw/zinc/49/58/49/431495849.db2.gz YEDKQXWESNYELP-UHFFFAOYSA-N 1 1 322.412 3.315 40 0 DGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3ccccc3F)[C@H]2C1 ZINC000012188217 431497901 /nfs/dbraw/zinc/49/79/01/431497901.db2.gz CKFFOAOCURDLKR-AEFFLSMTSA-N 1 1 318.436 3.295 40 0 DGABMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221071 431703757 /nfs/dbraw/zinc/70/37/57/431703757.db2.gz JNOVUQUBOJDOAH-HNNXBMFYSA-N 1 1 308.853 3.468 40 0 DGABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096041093 431934783 /nfs/dbraw/zinc/93/47/83/431934783.db2.gz SDXCVQOZWDPFIZ-RBSFLKMASA-N 1 1 319.430 3.243 40 0 DGABMO c1cc(CN2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)cs1 ZINC000096049472 431934896 /nfs/dbraw/zinc/93/48/96/431934896.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 1 1 320.502 3.073 40 0 DGABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047503 431935196 /nfs/dbraw/zinc/93/51/96/431935196.db2.gz PIWSGRUGPRICNF-IBGZPJMESA-N 1 1 316.445 3.062 40 0 DGABMO c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042160 431935723 /nfs/dbraw/zinc/93/57/23/431935723.db2.gz UCZFMYLEMUBIAL-SLFFLAALSA-N 1 1 324.424 3.030 40 0 DGABMO Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)o1 ZINC000096046422 431935958 /nfs/dbraw/zinc/93/59/58/431935958.db2.gz LFHPMTZCPMUQTA-UHFFFAOYSA-N 1 1 317.458 3.061 40 0 DGABMO c1ccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C2CCC2)C3)nc1 ZINC000096040276 431935984 /nfs/dbraw/zinc/93/59/84/431935984.db2.gz NGZZMZXGBBFMBF-OALUTQOASA-N 1 1 316.445 3.022 40 0 DGABMO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](C3CCC3)C2)o1 ZINC000049169742 431936733 /nfs/dbraw/zinc/93/67/33/431936733.db2.gz RVEIVUITSVYLHK-ZDUSSCGKSA-N 1 1 322.412 3.484 40 0 biogenic,in-vitro DGABMO Cc1cc2nc(CO[C@H]3C[N@@H+](C(C)C)C[C@H]3F)[nH]c2cc1C ZINC000096112348 431938708 /nfs/dbraw/zinc/93/87/08/431938708.db2.gz ZXXSBGMYLCQCAF-CJNGLKHVSA-N 1 1 305.397 3.127 40 0 biogenic,in-vitro DGABMO Fc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)cc1 ZINC000096113201 431938720 /nfs/dbraw/zinc/93/87/20/431938720.db2.gz GQGDJIDRLAUURC-GOSISDBHSA-N 1 1 301.361 3.106 40 0 biogenic,in-vitro DGABMO Fc1ccc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)cc1 ZINC000096113201 431938721 /nfs/dbraw/zinc/93/87/21/431938721.db2.gz GQGDJIDRLAUURC-GOSISDBHSA-N 1 1 301.361 3.106 40 0 biogenic,in-vitro 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203062119 /nfs/dbraw/zinc/06/21/19/203062119.db2.gz ZEVKWBUAFNNLKS-OAHLLOKOSA-N 1 1 321.428 3.051 40 0 DGABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000257340163 203062123 /nfs/dbraw/zinc/06/21/23/203062123.db2.gz ZEVKWBUAFNNLKS-OAHLLOKOSA-N 1 1 321.428 3.051 40 0 DGABMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)cn3C)C2)ccc1F ZINC000257342113 203065928 /nfs/dbraw/zinc/06/59/28/203065928.db2.gz ZNDHMWHZNDKFOD-HNNXBMFYSA-N 1 1 317.408 3.256 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OC)c1 ZINC000010543028 181674116 /nfs/dbraw/zinc/67/41/16/181674116.db2.gz KTQHYOGFMBPJIE-INIZCTEOSA-N 1 1 304.434 3.080 40 0 DGABMO O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1C[NH+]1CCCC1 ZINC000019202212 182107369 /nfs/dbraw/zinc/10/73/69/182107369.db2.gz GAGQZDICCAUMDW-UKTHLTGXSA-N 1 1 322.817 3.430 40 0 DGABMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2-c2ccco2)C[C@H](C)O1 ZINC000019497544 182125620 /nfs/dbraw/zinc/12/56/20/182125620.db2.gz OGNCMPWFHKCOSE-BETUJISGSA-N 1 1 311.385 3.432 40 0 DGABMO COCCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000019593261 182133017 /nfs/dbraw/zinc/13/30/17/182133017.db2.gz HQMVTTVXVYREHU-UHFFFAOYSA-N 1 1 300.402 3.129 40 0 DGABMO COCCC[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccn1 ZINC000019593276 182133144 /nfs/dbraw/zinc/13/31/44/182133144.db2.gz ZOBMFCVWVJEGQN-UHFFFAOYSA-N 1 1 306.356 3.399 40 0 DGABMO COCCC[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccn1 ZINC000019593276 182133146 /nfs/dbraw/zinc/13/31/46/182133146.db2.gz ZOBMFCVWVJEGQN-UHFFFAOYSA-N 1 1 306.356 3.399 40 0 DGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC000020040337 182183153 /nfs/dbraw/zinc/18/31/53/182183153.db2.gz SFMXJYCQDIBKNP-UHFFFAOYSA-N 1 1 305.381 3.419 40 0 DGABMO C/C(=C\c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020157335 182193137 /nfs/dbraw/zinc/19/31/37/182193137.db2.gz SQVWEHFKRCMASW-FBMGVBCBSA-N 1 1 320.436 3.434 40 0 DGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000020490711 182224028 /nfs/dbraw/zinc/22/40/28/182224028.db2.gz DUCMVALXEAQDPM-UHFFFAOYSA-N 1 1 309.344 3.250 40 0 DGABMO C[NH+](C)[C@H](C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000062090487 184205642 /nfs/dbraw/zinc/20/56/42/184205642.db2.gz JMGYSLQDNNTOBJ-KRWDZBQOSA-N 1 1 316.832 3.302 40 0 DGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(CC)cc2)cc1 ZINC000072228098 257121833 /nfs/dbraw/zinc/12/18/33/257121833.db2.gz GMIBBJHGJMBNKH-ZWKOTPCHSA-N 1 1 310.397 3.063 40 0 DGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2Cl)cc1C ZINC000072227858 257122419 /nfs/dbraw/zinc/12/24/19/257122419.db2.gz JMLHMHCCTOVAAU-JKSUJKDBSA-N 1 1 300.789 3.372 40 0 DGABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227122 257122692 /nfs/dbraw/zinc/12/26/92/257122692.db2.gz MQZBLZROYQHMBP-HUUCEWRRSA-N 1 1 320.314 3.429 40 0 DGABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227986 257122827 /nfs/dbraw/zinc/12/28/27/257122827.db2.gz BNBGCMKLKWBJOL-JKSUJKDBSA-N 1 1 300.789 3.318 40 0 DGABMO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072219648 257124059 /nfs/dbraw/zinc/12/40/59/257124059.db2.gz QTHYILWEYSHACM-GOSISDBHSA-N 1 1 317.477 3.410 40 0 DGABMO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216605 257124778 /nfs/dbraw/zinc/12/47/78/257124778.db2.gz QUWSAWOTOVJQMM-SFHVURJKSA-N 1 1 316.493 3.016 40 0 DGABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216605 257124780 /nfs/dbraw/zinc/12/47/80/257124780.db2.gz QUWSAWOTOVJQMM-SFHVURJKSA-N 1 1 316.493 3.016 40 0 DGABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216246 257125040 /nfs/dbraw/zinc/12/50/40/257125040.db2.gz NEMOWILWBKWSFX-QGZVFWFLSA-N 1 1 303.450 3.245 40 0 DGABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216187 257125349 /nfs/dbraw/zinc/12/53/49/257125349.db2.gz MLQDVTBPJOGIEO-KRWDZBQOSA-N 1 1 303.450 3.245 40 0 DGABMO O=Cc1ccc(OCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000002021451 134447726 /nfs/dbraw/zinc/44/77/26/134447726.db2.gz XMSPQPFYDDBQAV-UHFFFAOYSA-N 1 1 324.424 3.090 40 0 DGABMO O=C(C1CC2(CC2)C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614729185 400936779 /nfs/dbraw/zinc/93/67/79/400936779.db2.gz QWBAMXYZZUYIPE-NRFANRHFSA-N 1 1 324.468 3.301 40 0 DGABMO O=C(C1CC2(CC2)C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000614729188 400937155 /nfs/dbraw/zinc/93/71/55/400937155.db2.gz QWBAMXYZZUYIPE-OAQYLSRUSA-N 1 1 324.468 3.301 40 0 DGABMO CN1C(=O)CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000257268663 277006517 /nfs/dbraw/zinc/00/65/17/277006517.db2.gz MMPPBARETYCKQJ-FUHWJXTLSA-N 1 1 323.440 3.068 40 0 DGABMO Oc1ccccc1-c1[nH+]c2ccccn2c1NC[C@@H]1CCCO1 ZINC000000883905 431211122 /nfs/dbraw/zinc/21/11/22/431211122.db2.gz HKFQCAZLZUINDW-ZDUSSCGKSA-N 1 1 309.369 3.298 40 0 DGABMO O=Cc1cccc(OCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000002021452 431241694 /nfs/dbraw/zinc/24/16/94/431241694.db2.gz HOGGVOXUHXADJC-UHFFFAOYSA-N 1 1 324.424 3.090 40 0 DGABMO CC(C)c1ccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000009876439 431446456 /nfs/dbraw/zinc/44/64/56/431446456.db2.gz PXWPPZKJNPQFJZ-CQSZACIVSA-N 1 1 305.491 3.438 40 0 DGABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000013362187 431553925 /nfs/dbraw/zinc/55/39/25/431553925.db2.gz CANUBXZJGLXAEB-BBRMVZONSA-N 1 1 309.356 3.386 40 0 DGABMO CC[C@@H](C)[N@H+]1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096083707 280105107 /nfs/dbraw/zinc/10/51/07/280105107.db2.gz UDWVXMIVRNHUPV-CQSZACIVSA-N 1 1 317.481 3.054 40 0 DGABMO Cc1cc(C[N@@H+](C)Cc2c(C)n(C)nc2-c2ccccc2)[nH]n1 ZINC000036752914 431841231 /nfs/dbraw/zinc/84/12/31/431841231.db2.gz SCKFKCFKFFCXTJ-UHFFFAOYSA-N 1 1 309.417 3.059 40 0 DGABMO Cc1cc(C[N@H+](C)Cc2c(C)n(C)nc2-c2ccccc2)[nH]n1 ZINC000036752914 431841233 /nfs/dbraw/zinc/84/12/33/431841233.db2.gz SCKFKCFKFFCXTJ-UHFFFAOYSA-N 1 1 309.417 3.059 40 0 DGABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)(C)C)n2)cn1 ZINC000035425863 431830271 /nfs/dbraw/zinc/83/02/71/431830271.db2.gz HXTHYZVUCUGQGJ-ZDUSSCGKSA-N 1 1 316.405 3.323 40 0 biogenic,in-vitro DGABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000095533712 431926139 /nfs/dbraw/zinc/92/61/39/431926139.db2.gz BZFHUHKLVITKNM-AWEZNQCLSA-N 1 1 314.776 3.182 40 0 DGABMO Cc1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000096046353 431934990 /nfs/dbraw/zinc/93/49/90/431934990.db2.gz UFQJPTOBGCWOTG-BHYGNILZSA-N 1 1 315.442 3.199 40 0 DGABMO Cc1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccs4)C[C@H]3O2)n1 ZINC000096046151 431935356 /nfs/dbraw/zinc/93/53/56/431935356.db2.gz ULHLFCFABBENJC-IAOVAPTHSA-N 1 1 315.442 3.199 40 0 DGABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048559 431935622 /nfs/dbraw/zinc/93/56/22/431935622.db2.gz XFUMQKSJHUFULB-ZWKOTPCHSA-N 1 1 315.392 3.018 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046396 431935714 /nfs/dbraw/zinc/93/57/14/431935714.db2.gz INKOXPGXYSATOI-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO c1cc(CN2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)cs1 ZINC000096049471 431935938 /nfs/dbraw/zinc/93/59/38/431935938.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 1 1 320.502 3.073 40 0 DGABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000096058446 431936170 /nfs/dbraw/zinc/93/61/70/431936170.db2.gz PETNXQAXLXPEDC-PMACEKPBSA-N 1 1 324.424 3.044 40 0 DGABMO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccsc2)c1 ZINC000096055346 431936810 /nfs/dbraw/zinc/93/68/10/431936810.db2.gz SARPCIGFHPLUPT-GVDBMIGSSA-N 1 1 302.443 3.229 40 0 DGABMO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccsc2)c1 ZINC000096055346 431936813 /nfs/dbraw/zinc/93/68/13/431936813.db2.gz SARPCIGFHPLUPT-GVDBMIGSSA-N 1 1 302.443 3.229 40 0 DGABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccco3)C2)o1 ZINC000049170540 431937307 /nfs/dbraw/zinc/93/73/07/431937307.db2.gz NEWNPKZTRKCFBT-LBPRGKRZSA-N 1 1 313.332 3.458 40 0 biogenic,in-vitro DGABMO CO[C@H]1CC[N@@H+](Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110474 431938661 /nfs/dbraw/zinc/93/86/61/431938661.db2.gz QYEQQIZEIILARP-ICSRJNTNSA-N 1 1 310.441 3.470 40 0 DGABMO CO[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110216 431938716 /nfs/dbraw/zinc/93/87/16/431938716.db2.gz HSVAJZRWDUKAAW-VQTJNVASSA-N 1 1 317.473 3.301 40 0 DGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]2OC)cc1 ZINC000096110232 431938978 /nfs/dbraw/zinc/93/89/78/431938978.db2.gz NREKRLKYPKSBJZ-PKOBYXMFSA-N 1 1 315.413 3.368 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159507 431940443 /nfs/dbraw/zinc/94/04/43/431940443.db2.gz KQHVBKYZIKLJGD-HXUWFJFHSA-N 1 1 321.424 3.019 40 0 DGABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216929 431942916 /nfs/dbraw/zinc/94/29/16/431942916.db2.gz NCOUIDAYEMYHRY-HXUWFJFHSA-N 1 1 322.456 3.278 40 0 DGABMO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215834 431942932 /nfs/dbraw/zinc/94/29/32/431942932.db2.gz QRUMDJVNZUFVSN-KRWDZBQOSA-N 1 1 307.507 3.477 40 0 DGABMO CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216964 431943037 /nfs/dbraw/zinc/94/30/37/431943037.db2.gz BBBPIQUIVHFUKG-SFHVURJKSA-N 1 1 302.466 3.205 40 0 DGABMO CC(C)C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096244355 431943570 /nfs/dbraw/zinc/94/35/70/431943570.db2.gz MQIKXAUVRNIUHZ-FQEVSTJZSA-N 1 1 323.440 3.273 40 0 DGABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)o1 ZINC000096255230 431943601 /nfs/dbraw/zinc/94/36/01/431943601.db2.gz IOFQNGVFEJGRPB-UHFFFAOYSA-N 1 1 320.396 3.041 40 0 DGABMO Cc1ccc2nc(-c3cc(Br)c[n+](C)c3)[nH]c2c1 ZINC000226774315 281023528 /nfs/dbraw/zinc/02/35/28/281023528.db2.gz QPRDILWLODXWBN-UHFFFAOYSA-N 1 1 303.183 3.125 40 0 DGABMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000057728969 431993126 /nfs/dbraw/zinc/99/31/26/431993126.db2.gz LJLCICPURNYGOK-KRWDZBQOSA-N 1 1 310.441 3.402 40 0 DGABMO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000057728969 431993129 /nfs/dbraw/zinc/99/31/29/431993129.db2.gz LJLCICPURNYGOK-KRWDZBQOSA-N 1 1 310.441 3.402 40 0 DGABMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000057728969 431993131 /nfs/dbraw/zinc/99/31/31/431993131.db2.gz LJLCICPURNYGOK-KRWDZBQOSA-N 1 1 310.441 3.402 40 0 DGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@H]32)o1 ZINC000248111961 432269383 /nfs/dbraw/zinc/26/93/83/432269383.db2.gz RAZHYSOHYBRNIU-KBAYOESNSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@H]32)o1 ZINC000248111961 432269386 /nfs/dbraw/zinc/26/93/86/432269386.db2.gz RAZHYSOHYBRNIU-KBAYOESNSA-N 1 1 300.402 3.069 40 0 DGABMO Cc1nn(C)cc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000057811086 431994193 /nfs/dbraw/zinc/99/41/93/431994193.db2.gz LNHXBVHXYXVWNR-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1nn(C)cc1C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000057811086 431994195 /nfs/dbraw/zinc/99/41/95/431994195.db2.gz LNHXBVHXYXVWNR-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO CC(C)[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260901784 432428260 /nfs/dbraw/zinc/42/82/60/432428260.db2.gz NZXPBGFQXNBDBW-HOCLYGCPSA-N 1 1 306.425 3.198 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216033 432418145 /nfs/dbraw/zinc/41/81/45/432418145.db2.gz CSURNDWXUXWRNY-CQSZACIVSA-N 1 1 324.403 3.487 40 0 DGABMO c1csc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)n1 ZINC000257226943 432420969 /nfs/dbraw/zinc/42/09/69/432420969.db2.gz FMXLWYHKDYZHBB-FOLVSLTJSA-N 1 1 300.427 3.433 40 0 DGABMO CC(C)n1nccc1-c1cnc(C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257232370 432421453 /nfs/dbraw/zinc/42/14/53/432421453.db2.gz GKOVROSEIOFQCB-OAHLLOKOSA-N 1 1 313.449 3.194 40 0 DGABMO CCCn1cc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cn1 ZINC000257246475 432423410 /nfs/dbraw/zinc/42/34/10/432423410.db2.gz IUGHUEUQRZZPJV-CQSZACIVSA-N 1 1 304.463 3.204 40 0 DGABMO Cc1cccnc1C[N@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289386 432424289 /nfs/dbraw/zinc/42/42/89/432424289.db2.gz PYJRJNOEIPOFNS-OAHLLOKOSA-N 1 1 307.401 3.041 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccccc1OC ZINC000225769098 432696931 /nfs/dbraw/zinc/69/69/31/432696931.db2.gz CPZZXMODMNYKCA-OAHLLOKOSA-N 1 1 319.449 3.471 40 0 DGABMO CCc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000224875278 432685655 /nfs/dbraw/zinc/68/56/55/432685655.db2.gz NNKMNXGLZWUFTQ-MRXNPFEDSA-N 1 1 302.462 3.030 40 0 DGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccnc2)cc1 ZINC000225459084 432690595 /nfs/dbraw/zinc/69/05/95/432690595.db2.gz YXUFWLYKLJXWEI-UHFFFAOYSA-N 1 1 323.425 3.062 40 0 DGABMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(F)cc1C(F)(F)F ZINC000199831796 563515843 /nfs/dbraw/zinc/51/58/43/563515843.db2.gz YYGGFTKOLVBOCY-NSHDSACASA-N 1 1 307.287 3.056 40 0 DGABMO CC(C)CC[C@](O)(CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000027346908 1193866377 /nfs/dbraw/zinc/86/63/77/1193866377.db2.gz JDCVGZLDECJNRB-SFHVURJKSA-N 1 1 309.425 3.172 40 0 DGABMO C[N@H+]1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134468 530055533 /nfs/dbraw/zinc/05/55/33/530055533.db2.gz NOQSLUIAFGHJRK-OAHLLOKOSA-N 1 1 310.376 3.345 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc(C)ccn1 ZINC000225584983 186280521 /nfs/dbraw/zinc/28/05/21/186280521.db2.gz NOHXJDABUZOZMM-OAHLLOKOSA-N 1 1 320.506 3.331 40 0 DGABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358496 191130742 /nfs/dbraw/zinc/13/07/42/191130742.db2.gz AQVJPMDTEBXMHK-CQSZACIVSA-N 1 1 315.392 3.109 40 0 DGABMO C[N@H+]1CCC[C@@H](c2cncc(NCc3cccc(F)c3)n2)C1 ZINC000072365086 191134570 /nfs/dbraw/zinc/13/45/70/191134570.db2.gz CYCYJDNIBGFDCU-CQSZACIVSA-N 1 1 300.381 3.037 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@H]3CCCC[N@H+]3C)n2)n1 ZINC000072382358 191142933 /nfs/dbraw/zinc/14/29/33/191142933.db2.gz AQGOCGPPQZYPGD-GFCCVEGCSA-N 1 1 303.435 3.450 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@H]3CCCC[N@@H+]3C)n2)n1 ZINC000072382358 191142935 /nfs/dbraw/zinc/14/29/35/191142935.db2.gz AQGOCGPPQZYPGD-GFCCVEGCSA-N 1 1 303.435 3.450 40 0 DGABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389924 191147327 /nfs/dbraw/zinc/14/73/27/191147327.db2.gz MDIPXWRWUSWUMK-QGZVFWFLSA-N 1 1 320.396 3.430 40 0 DGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107711921 432037760 /nfs/dbraw/zinc/03/77/60/432037760.db2.gz AXHWVVFYWPBOKW-ROUUACIJSA-N 1 1 305.418 3.077 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751983 432038698 /nfs/dbraw/zinc/03/86/98/432038698.db2.gz CKHUCMLMMYHWJX-OALUTQOASA-N 1 1 319.445 3.386 40 0 DGABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)ccc1F ZINC000005511660 181251958 /nfs/dbraw/zinc/25/19/58/181251958.db2.gz XJOIBUJGSSKITJ-BLLLJJGKSA-N 1 1 309.356 3.386 40 0 DGABMO C/C(=C\c1ccccc1)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000179494431 432060104 /nfs/dbraw/zinc/06/01/04/432060104.db2.gz BNPYYSJUDQUOEI-BMRADRMJSA-N 1 1 322.456 3.401 40 0 DGABMO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000006008548 181305558 /nfs/dbraw/zinc/30/55/58/181305558.db2.gz KNQHFBWODOQHRM-RVKKMQEKSA-N 1 1 305.462 3.329 40 0 DGABMO Cc1c[nH]c([C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257295427 203020560 /nfs/dbraw/zinc/02/05/60/203020560.db2.gz QYGDQTOUPFGQKV-SFHVURJKSA-N 1 1 307.397 3.445 40 0 DGABMO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257295427 203020564 /nfs/dbraw/zinc/02/05/64/203020564.db2.gz QYGDQTOUPFGQKV-SFHVURJKSA-N 1 1 307.397 3.445 40 0 DGABMO CCN1CCC([N@H+]2CCC[C@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295455 203021713 /nfs/dbraw/zinc/02/17/13/203021713.db2.gz QYIZUXDCWSEKKA-GOSISDBHSA-N 1 1 301.478 3.129 40 0 DGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257298662 203023183 /nfs/dbraw/zinc/02/31/83/203023183.db2.gz RMUOBRWSFXCXOG-KRWDZBQOSA-N 1 1 309.413 3.341 40 0 DGABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257298662 203023187 /nfs/dbraw/zinc/02/31/87/203023187.db2.gz RMUOBRWSFXCXOG-KRWDZBQOSA-N 1 1 309.413 3.341 40 0 DGABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2ccccc2OC)n1 ZINC000257297632 203024066 /nfs/dbraw/zinc/02/40/66/203024066.db2.gz RIFBYDWCBDYSJD-MRXNPFEDSA-N 1 1 312.417 3.254 40 0 DGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2ccccc2OC)n1 ZINC000257297632 203024069 /nfs/dbraw/zinc/02/40/69/203024069.db2.gz RIFBYDWCBDYSJD-MRXNPFEDSA-N 1 1 312.417 3.254 40 0 DGABMO Cc1cnc(Nc2cc([C@H]3CC[N@H+](C(C)C)C3)nc(C)n2)s1 ZINC000257300723 203024933 /nfs/dbraw/zinc/02/49/33/203024933.db2.gz RVLNYMOCTOWCPI-ZDUSSCGKSA-N 1 1 317.462 3.491 40 0 DGABMO Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)ncn1 ZINC000257300360 203026016 /nfs/dbraw/zinc/02/60/16/203026016.db2.gz RTYXIQALUZXSQW-UHFFFAOYSA-N 1 1 314.458 3.313 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257278556 203007076 /nfs/dbraw/zinc/00/70/76/203007076.db2.gz OCRYBMARKRHVFE-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO CC(C)[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257289364 203016436 /nfs/dbraw/zinc/01/64/36/203016436.db2.gz PYHFSNXKDYDGQM-MAUKXSAKSA-N 1 1 304.409 3.062 40 0 DGABMO CNc1cc([C@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)ccn1 ZINC000257329114 203052151 /nfs/dbraw/zinc/05/21/51/203052151.db2.gz XINMLWWGURRGPB-INIZCTEOSA-N 1 1 313.449 3.280 40 0 DGABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257314264 203038733 /nfs/dbraw/zinc/03/87/33/203038733.db2.gz UWCOTCDZYNHMTH-VNQPRFMTSA-N 1 1 315.442 3.136 40 0 DGABMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095080826 193417844 /nfs/dbraw/zinc/41/78/44/193417844.db2.gz XZRJUWDOUWQDRA-MRXNPFEDSA-N 1 1 304.434 3.423 40 0 DGABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019084617 182104562 /nfs/dbraw/zinc/10/45/62/182104562.db2.gz LDFRYVYRYLQATE-CYBMUJFWSA-N 1 1 303.381 3.496 40 0 DGABMO c1cncc(-c2nccc(C[N@@H+](Cc3ccncc3)C3CC3)n2)c1 ZINC000019341299 182117219 /nfs/dbraw/zinc/11/72/19/182117219.db2.gz KFSAKDMDPBXYPA-UHFFFAOYSA-N 1 1 317.396 3.098 40 0 DGABMO c1cncc(-c2nccc(C[N@H+](Cc3ccncc3)C3CC3)n2)c1 ZINC000019341299 182117220 /nfs/dbraw/zinc/11/72/20/182117220.db2.gz KFSAKDMDPBXYPA-UHFFFAOYSA-N 1 1 317.396 3.098 40 0 DGABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OC ZINC000022076074 182308733 /nfs/dbraw/zinc/30/87/33/182308733.db2.gz AUMYCJTVWRHUKV-UHFFFAOYSA-N 1 1 314.857 3.179 40 0 DGABMO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832768 183010925 /nfs/dbraw/zinc/01/09/25/183010925.db2.gz YSBZUCBAAFRCEM-IBGZPJMESA-N 1 1 308.425 3.215 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1C ZINC000072227861 257122305 /nfs/dbraw/zinc/12/23/05/257122305.db2.gz JMLHMHCCTOVAAU-CVEARBPZSA-N 1 1 300.789 3.372 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 ZINC000072227777 257122545 /nfs/dbraw/zinc/12/25/45/257122545.db2.gz WRVZLCBXJSDZFA-KGLIPLIRSA-N 1 1 307.180 3.409 40 0 DGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000072228031 257122611 /nfs/dbraw/zinc/12/26/11/257122611.db2.gz BRYXSVAPUHOEDQ-HOTGVXAUSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227655 257122788 /nfs/dbraw/zinc/12/27/88/257122788.db2.gz PCHIHNKCUXGBPI-KBPBESRZSA-N 1 1 324.277 3.260 40 0 DGABMO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072219421 257123870 /nfs/dbraw/zinc/12/38/70/257123870.db2.gz VIDJGQUFTPNBTP-QGZVFWFLSA-N 1 1 303.450 3.162 40 0 DGABMO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N2CCCCC2)cc1C ZINC000072219255 257124231 /nfs/dbraw/zinc/12/42/31/257124231.db2.gz SKABCDFQVVFAHV-QGZVFWFLSA-N 1 1 301.434 3.454 40 0 DGABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219644 257124524 /nfs/dbraw/zinc/12/45/24/257124524.db2.gz HZXUCJMXHCSPMM-KRWDZBQOSA-N 1 1 303.450 3.164 40 0 DGABMO O=C(c1ccccc1F)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238811215 257213715 /nfs/dbraw/zinc/21/37/15/257213715.db2.gz AIYNANIMJATURU-QGZVFWFLSA-N 1 1 324.399 3.099 40 0 DGABMO Cc1cccc(F)c1C(=O)N1CCC2(CCCC[N@@H+]2C)CC1 ZINC000585102450 400125246 /nfs/dbraw/zinc/12/52/46/400125246.db2.gz NTQAMTQHLDWQSW-UHFFFAOYSA-N 1 1 304.409 3.225 40 0 DGABMO CCN1CC[NH2+][C@@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O ZINC000585169364 400130987 /nfs/dbraw/zinc/13/09/87/400130987.db2.gz ZOPIGRNWQWLLRE-FQEVSTJZSA-N 1 1 322.452 3.333 40 0 DGABMO CCN(C(=O)Cc1ccccc1)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695628 400186636 /nfs/dbraw/zinc/18/66/36/400186636.db2.gz BPLQMYYUMWAVKY-SFHVURJKSA-N 1 1 314.473 3.485 40 0 DGABMO C[C@@]12CC[N@@H+](Cc3ccnc4ccccc34)[C@@H]1CCCCC(=O)N2 ZINC000019713722 400187072 /nfs/dbraw/zinc/18/70/72/400187072.db2.gz JQKDFLFQVIWNEI-UYAOXDASSA-N 1 1 323.440 3.258 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718051 400959957 /nfs/dbraw/zinc/95/99/57/400959957.db2.gz AOIYHYXUOPSXOB-IYWMVGAKSA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225718051 400959964 /nfs/dbraw/zinc/95/99/64/400959964.db2.gz AOIYHYXUOPSXOB-IYWMVGAKSA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718024 400959981 /nfs/dbraw/zinc/95/99/81/400959981.db2.gz AOIYHYXUOPSXOB-FYQPLNBISA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225718024 400959990 /nfs/dbraw/zinc/95/99/90/400959990.db2.gz AOIYHYXUOPSXOB-FYQPLNBISA-N 1 1 314.473 3.341 40 0 DGABMO COc1ccc(C[N@@H+]2Cc3cc4c(cc3[C@@H](O)C2)CCC4)cc1 ZINC000095470458 274110023 /nfs/dbraw/zinc/11/00/23/274110023.db2.gz BMPYXBWTVXCMFX-FQEVSTJZSA-N 1 1 309.409 3.233 40 0 DGABMO O=C1OC[C@@H]2CC[N@@H+](C3CCCC3)Cc3ccc(F)cc3N12 ZINC000225486465 275027104 /nfs/dbraw/zinc/02/71/04/275027104.db2.gz USFLKNNYKQCNMV-HNNXBMFYSA-N 1 1 304.365 3.299 40 0 biogenic,in-vitro DGABMO Brc1cc2c(cc1C[NH+]1CCCCC1)OCCO2 ZINC000096511755 275368054 /nfs/dbraw/zinc/36/80/54/275368054.db2.gz WTVJWOBIWZQPQH-UHFFFAOYSA-N 1 1 312.207 3.206 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000000240342 431150307 /nfs/dbraw/zinc/15/03/07/431150307.db2.gz KSBZZJRLSSHLLD-VBQJREDUSA-N 1 1 311.853 3.195 40 0 DGABMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2c[nH]c3ccccc32)C1 ZINC000071656516 431284761 /nfs/dbraw/zinc/28/47/61/431284761.db2.gz DZIHXDMDMNVFNL-OAHLLOKOSA-N 1 1 301.390 3.049 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000008570125 431403671 /nfs/dbraw/zinc/40/36/71/431403671.db2.gz YTMAUIPJKCYPRM-TXEJJXNPSA-N 1 1 303.431 3.213 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000008570125 431403679 /nfs/dbraw/zinc/40/36/79/431403679.db2.gz YTMAUIPJKCYPRM-TXEJJXNPSA-N 1 1 303.431 3.213 40 0 DGABMO CC[NH+]1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000013687257 431564115 /nfs/dbraw/zinc/56/41/15/431564115.db2.gz FPPGASREPGPIAB-UHFFFAOYSA-N 1 1 324.424 3.043 40 0 DGABMO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221053 431701787 /nfs/dbraw/zinc/70/17/87/431701787.db2.gz OHEIXLBMIIKYCY-UKRRQHHQSA-N 1 1 308.853 3.467 40 0 DGABMO [NH3+][C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1 ZINC000034309984 431818135 /nfs/dbraw/zinc/81/81/35/431818135.db2.gz SAWFXWAKCJGRSQ-LJQANCHMSA-N 1 1 305.377 3.453 40 0 DGABMO Cc1cc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000037530400 431847756 /nfs/dbraw/zinc/84/77/56/431847756.db2.gz ASCOOIJCINVEAP-GUTXKFCHSA-N 1 1 311.853 3.366 40 0 DGABMO [NH3+][C@@H](c1nnc(-c2cccc(F)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095534030 431926397 /nfs/dbraw/zinc/92/63/97/431926397.db2.gz ZMEBICWFBHHHIJ-CYBMUJFWSA-N 1 1 302.740 3.312 40 0 DGABMO C[C@@H](OC(=O)CC[C@H]([NH3+])C(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000055124481 431977782 /nfs/dbraw/zinc/97/77/82/431977782.db2.gz NWFOJMQOKNLKHC-AGIUHOORSA-N 1 1 315.454 3.050 40 0 DGABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046340 431935593 /nfs/dbraw/zinc/93/55/93/431935593.db2.gz WNYALPVWUZZYGB-CWRNSKLLSA-N 1 1 315.442 3.199 40 0 DGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccoc4)C3)CC2=O)s1 ZINC000096077961 431937851 /nfs/dbraw/zinc/93/78/51/431937851.db2.gz CGZBQHBPIDFFRO-KRWDZBQOSA-N 1 1 316.426 3.279 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096111158 431938580 /nfs/dbraw/zinc/93/85/80/431938580.db2.gz JJUMKQQLRQKWPC-AZUAARDMSA-N 1 1 310.441 3.470 40 0 DGABMO Cc1csc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n1 ZINC000096107488 431938692 /nfs/dbraw/zinc/93/86/92/431938692.db2.gz GZHOSZYZMAJCEG-RDJZCZTQSA-N 1 1 322.474 3.002 40 0 DGABMO Cc1csc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n1 ZINC000096107488 431938695 /nfs/dbraw/zinc/93/86/95/431938695.db2.gz GZHOSZYZMAJCEG-RDJZCZTQSA-N 1 1 322.474 3.002 40 0 DGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cs1 ZINC000096107246 431938747 /nfs/dbraw/zinc/93/87/47/431938747.db2.gz AAONOPOVCOGAGK-SJORKVTESA-N 1 1 307.459 3.298 40 0 DGABMO CCO[C@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096200401 431942642 /nfs/dbraw/zinc/94/26/42/431942642.db2.gz WWLLNIPHRNFIBD-OALUTQOASA-N 1 1 303.446 3.135 40 0 DGABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(c3ncccn3)C[C@@H]21 ZINC000096251697 431944040 /nfs/dbraw/zinc/94/40/40/431944040.db2.gz PLKQPCIXWDEQRD-BZSNNMDCSA-N 1 1 308.429 3.092 40 0 DGABMO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096244934 431944245 /nfs/dbraw/zinc/94/42/45/431944245.db2.gz NBHPFSUAVZIGRN-MJGOQNOKSA-N 1 1 321.424 3.343 40 0 DGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000098181653 431980349 /nfs/dbraw/zinc/98/03/49/431980349.db2.gz UXQRAMZRGNHVQQ-MRXNPFEDSA-N 1 1 304.434 3.375 40 0 DGABMO CCn1ncc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000057810976 431993667 /nfs/dbraw/zinc/99/36/67/431993667.db2.gz UTDXRCOBSQWBFH-LJQANCHMSA-N 1 1 313.445 3.393 40 0 DGABMO Fc1ccccc1OCCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257217798 432417656 /nfs/dbraw/zinc/41/76/56/432417656.db2.gz DAQUGXPOHJYQPC-HNNXBMFYSA-N 1 1 315.392 3.264 40 0 DGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cccs2)ccn1 ZINC000257231633 432419697 /nfs/dbraw/zinc/41/96/97/432419697.db2.gz GHOSGNHDPKPOCD-QGZVFWFLSA-N 1 1 315.442 3.116 40 0 DGABMO CNc1cc(C)nc([C@H]2CC[N@H+](Cc3scnc3C)C2)c1 ZINC000257231369 432421418 /nfs/dbraw/zinc/42/14/18/432421418.db2.gz GGKGVTLINALTOD-ZDUSSCGKSA-N 1 1 302.447 3.186 40 0 DGABMO CNc1cc(C)nc([C@H]2CC[N@@H+](Cc3scnc3C)C2)c1 ZINC000257231369 432421420 /nfs/dbraw/zinc/42/14/20/432421420.db2.gz GGKGVTLINALTOD-ZDUSSCGKSA-N 1 1 302.447 3.186 40 0 DGABMO CCCCn1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250316 432423116 /nfs/dbraw/zinc/42/31/16/432423116.db2.gz JMAHIDKXNMJZMK-MRXNPFEDSA-N 1 1 315.465 3.403 40 0 DGABMO c1cc2cc(C[C@@H]3COCC[N@@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331911 432424398 /nfs/dbraw/zinc/42/43/98/432424398.db2.gz XUUITLPNWSKXAI-SFHVURJKSA-N 1 1 321.424 3.254 40 0 DGABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3scnc3C)C2)ccn1 ZINC000257335037 432424452 /nfs/dbraw/zinc/42/44/52/432424452.db2.gz YIKYHRCMSUDHNF-CQSZACIVSA-N 1 1 302.447 3.268 40 0 DGABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccccc3)Cc3ccccc3N12 ZINC000225481937 432692687 /nfs/dbraw/zinc/69/26/87/432692687.db2.gz RBMYXLFHYNYHRW-KRWDZBQOSA-N 1 1 308.381 3.418 40 0 biogenic,in-vitro DGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000223385925 432676702 /nfs/dbraw/zinc/67/67/02/432676702.db2.gz DQVXNVWKXBCIJI-UHFFFAOYSA-N 1 1 323.371 3.179 40 0 DGABMO CCc1cc(N2CCC(Nc3cc[nH+]cc3Cl)CC2)ncn1 ZINC000267325580 432831701 /nfs/dbraw/zinc/83/17/01/432831701.db2.gz AZKBNDQDJAZLOZ-UHFFFAOYSA-N 1 1 317.824 3.168 40 0 DGABMO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccccc2OC)C1 ZINC000585095572 547025437 /nfs/dbraw/zinc/02/54/37/547025437.db2.gz XVKQINZXFXIZHC-MRXNPFEDSA-N 1 1 314.429 3.165 40 0 DGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccccc2OC)C1 ZINC000585095572 547025442 /nfs/dbraw/zinc/02/54/42/547025442.db2.gz XVKQINZXFXIZHC-MRXNPFEDSA-N 1 1 314.429 3.165 40 0 DGABMO CCC[N@H+]1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 ZINC001534646924 1187912877 /nfs/dbraw/zinc/91/28/77/1187912877.db2.gz WMZPTDLRURXYDW-KBPBESRZSA-N 1 1 320.408 3.285 40 0 DGABMO O=C1C[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2CCOc2ccccc2N1 ZINC001534646541 1187912899 /nfs/dbraw/zinc/91/28/99/1187912899.db2.gz NDAQALGWVPSGFK-HOTGVXAUSA-N 1 1 314.429 3.146 40 0 DGABMO CC(C)C[C@](O)(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000027346190 1193866003 /nfs/dbraw/zinc/86/60/03/1193866003.db2.gz CUKMDWHAYHTKHO-QGZVFWFLSA-N 1 1 311.853 3.296 40 0 DGABMO c1coc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306125081 231084048 /nfs/dbraw/zinc/08/40/48/231084048.db2.gz CGJWHTIQXRFTRA-IAGOWNOFSA-N 1 1 319.408 3.447 40 0 DGABMO c1cn(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000072350481 191127899 /nfs/dbraw/zinc/12/78/99/191127899.db2.gz MRHFAKLTJFBQAJ-QGZVFWFLSA-N 1 1 319.412 3.042 40 0 DGABMO c1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](c3cnccn3)C1)CO2 ZINC000072369387 191139721 /nfs/dbraw/zinc/13/97/21/191139721.db2.gz SCVWAXSAXCTDRJ-QGZVFWFLSA-N 1 1 307.397 3.132 40 0 DGABMO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072384611 191144026 /nfs/dbraw/zinc/14/40/26/191144026.db2.gz ZUROBLSNLLCEIK-AWEZNQCLSA-N 1 1 312.421 3.172 40 0 DGABMO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072384611 191144028 /nfs/dbraw/zinc/14/40/28/191144028.db2.gz ZUROBLSNLLCEIK-AWEZNQCLSA-N 1 1 312.421 3.172 40 0 DGABMO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712816 432037276 /nfs/dbraw/zinc/03/72/76/432037276.db2.gz ZBZVUIRSKQEMEE-OALUTQOASA-N 1 1 318.461 3.186 40 0 DGABMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769364 181149645 /nfs/dbraw/zinc/14/96/45/181149645.db2.gz JURXGSRGDJSVBS-HNNXBMFYSA-N 1 1 313.445 3.248 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000067801160 432041335 /nfs/dbraw/zinc/04/13/35/432041335.db2.gz XCTBVQRSGNTTDV-CQSZACIVSA-N 1 1 310.825 3.439 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000067801160 432041338 /nfs/dbraw/zinc/04/13/38/432041338.db2.gz XCTBVQRSGNTTDV-CQSZACIVSA-N 1 1 310.825 3.439 40 0 DGABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)C1CC1 ZINC000004888087 181168548 /nfs/dbraw/zinc/16/85/48/181168548.db2.gz LVXGCGTZFCANHR-GOOCMWNKSA-N 1 1 304.459 3.160 40 0 DGABMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000006500837 181346363 /nfs/dbraw/zinc/34/63/63/181346363.db2.gz IVCXCGOXNLBOKU-LJQANCHMSA-N 1 1 311.425 3.101 40 0 DGABMO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2ccncn2)c1 ZINC000257272465 203000883 /nfs/dbraw/zinc/00/08/83/203000883.db2.gz NCNCCVMTNBLZMI-AWEZNQCLSA-N 1 1 311.414 3.265 40 0 DGABMO c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2ccncn2)c1 ZINC000257272465 203000886 /nfs/dbraw/zinc/00/08/86/203000886.db2.gz NCNCCVMTNBLZMI-AWEZNQCLSA-N 1 1 311.414 3.265 40 0 DGABMO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2ccncn2)c1 ZINC000257272466 203002370 /nfs/dbraw/zinc/00/23/70/203002370.db2.gz NCNCCVMTNBLZMI-CQSZACIVSA-N 1 1 311.414 3.265 40 0 DGABMO c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccncn2)c1 ZINC000257272466 203002374 /nfs/dbraw/zinc/00/23/74/203002374.db2.gz NCNCCVMTNBLZMI-CQSZACIVSA-N 1 1 311.414 3.265 40 0 DGABMO CCCCn1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257275560 203004305 /nfs/dbraw/zinc/00/43/05/203004305.db2.gz NPWVPACLSRVNPD-OAHLLOKOSA-N 1 1 301.438 3.094 40 0 DGABMO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257292438 203017244 /nfs/dbraw/zinc/01/72/44/203017244.db2.gz QLLYDAMQLVHAQW-QGZVFWFLSA-N 1 1 313.449 3.262 40 0 DGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257292438 203017246 /nfs/dbraw/zinc/01/72/46/203017246.db2.gz QLLYDAMQLVHAQW-QGZVFWFLSA-N 1 1 313.449 3.262 40 0 DGABMO Clc1ccccc1C[C@H]1COCC[N@H+](C2CCOCC2)C1 ZINC000257293764 203018402 /nfs/dbraw/zinc/01/84/02/203018402.db2.gz QRCMTONRVUAANO-CQSZACIVSA-N 1 1 309.837 3.010 40 0 DGABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(C)nc3sccn23)C1 ZINC000257329079 203053349 /nfs/dbraw/zinc/05/33/49/203053349.db2.gz XIHZYIMTJFABDO-CYBMUJFWSA-N 1 1 315.446 3.115 40 0 DGABMO c1cc2cc(C[C@@H]3COCC[N@@H+](Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313786 203039601 /nfs/dbraw/zinc/03/96/01/203039601.db2.gz UUDOQKWUAQMJOG-KRWDZBQOSA-N 1 1 321.424 3.254 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323837 203047587 /nfs/dbraw/zinc/04/75/87/203047587.db2.gz WMANCZHUPGBMJU-OAHLLOKOSA-N 1 1 321.428 3.255 40 0 DGABMO c1cc(C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]n1 ZINC000257323837 203047592 /nfs/dbraw/zinc/04/75/92/203047592.db2.gz WMANCZHUPGBMJU-OAHLLOKOSA-N 1 1 321.428 3.255 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]n1 ZINC000257323837 203047596 /nfs/dbraw/zinc/04/75/96/203047596.db2.gz WMANCZHUPGBMJU-OAHLLOKOSA-N 1 1 321.428 3.255 40 0 DGABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2cccs2)c1 ZINC000096055344 193506914 /nfs/dbraw/zinc/50/69/14/193506914.db2.gz WMPMQDGVPGSFNJ-BHYGNILZSA-N 1 1 302.443 3.229 40 0 DGABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019237181 182111014 /nfs/dbraw/zinc/11/10/14/182111014.db2.gz KWLSPJILJZGTKJ-HNNXBMFYSA-N 1 1 307.401 3.041 40 0 DGABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000019084633 182104221 /nfs/dbraw/zinc/10/42/21/182104221.db2.gz KMYHPSBKUYDYFJ-ZDUSSCGKSA-N 1 1 303.381 3.496 40 0 DGABMO O[C@@]1(c2cccnc2)CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000019349049 182117871 /nfs/dbraw/zinc/11/78/71/182117871.db2.gz YBXMJCNAVGIPOM-SFHVURJKSA-N 1 1 300.377 3.094 40 0 DGABMO c1csc(-c2cc3cccnc3n2CC[NH+]2CCOCC2)c1 ZINC000019347195 182117988 /nfs/dbraw/zinc/11/79/88/182117988.db2.gz WKQACAKFQZELLB-UHFFFAOYSA-N 1 1 313.426 3.097 40 0 DGABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523944 182127925 /nfs/dbraw/zinc/12/79/25/182127925.db2.gz MGGUYLHHPTYYJR-MRXNPFEDSA-N 1 1 323.444 3.467 40 0 DGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CC1 ZINC000019590175 182132092 /nfs/dbraw/zinc/13/20/92/182132092.db2.gz WYYUJDWRQOAQLC-GUDVDZBRSA-N 1 1 312.457 3.265 40 0 DGABMO Cc1nn(C)cc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000019583699 182132481 /nfs/dbraw/zinc/13/24/81/182132481.db2.gz BLJYQYQXJDYHFC-GOSISDBHSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1nn(C)cc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000019583699 182132482 /nfs/dbraw/zinc/13/24/82/182132482.db2.gz BLJYQYQXJDYHFC-GOSISDBHSA-N 1 1 317.408 3.049 40 0 DGABMO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832534 183010895 /nfs/dbraw/zinc/01/08/95/183010895.db2.gz PSJULGPJSWSTAZ-QGZVFWFLSA-N 1 1 300.446 3.348 40 0 DGABMO C=Cn1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C)n1 ZINC000057810982 184055536 /nfs/dbraw/zinc/05/55/36/184055536.db2.gz WLFLFSITGIVRNO-LJQANCHMSA-N 1 1 311.429 3.473 40 0 DGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072228036 257122389 /nfs/dbraw/zinc/12/23/89/257122389.db2.gz IZCKXAJNPAQZSN-HZPDHXFCSA-N 1 1 300.789 3.318 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000072227869 257122530 /nfs/dbraw/zinc/12/25/30/257122530.db2.gz PLHMNBYXIRIYQY-CVEARBPZSA-N 1 1 300.789 3.372 40 0 DGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1C ZINC000072227868 257122597 /nfs/dbraw/zinc/12/25/97/257122597.db2.gz PLHMNBYXIRIYQY-HZPDHXFCSA-N 1 1 300.789 3.372 40 0 DGABMO Cc1cc(N2CCCCC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223494 257123751 /nfs/dbraw/zinc/12/37/51/257123751.db2.gz HOLYCEWXZKDDHE-UHFFFAOYSA-N 1 1 305.422 3.405 40 0 DGABMO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1C ZINC000072219314 257124419 /nfs/dbraw/zinc/12/44/19/257124419.db2.gz DSVNUYAPXWVUSS-KRWDZBQOSA-N 1 1 301.434 3.454 40 0 DGABMO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072219422 257124436 /nfs/dbraw/zinc/12/44/36/257124436.db2.gz AIRKICCXRFMXAI-SFHVURJKSA-N 1 1 317.477 3.410 40 0 DGABMO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072219645 257124571 /nfs/dbraw/zinc/12/45/71/257124571.db2.gz PVLUUXAKEMHSFX-KRWDZBQOSA-N 1 1 303.450 3.162 40 0 DGABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](C)C4)nn3c2)c1 ZINC000306122964 533370385 /nfs/dbraw/zinc/37/03/85/533370385.db2.gz AAWUFCFZHGHOHZ-MRXNPFEDSA-N 1 1 322.412 3.214 40 0 DGABMO COCC[N@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100825 400125545 /nfs/dbraw/zinc/12/55/45/400125545.db2.gz YCRTWBVHFSDOAQ-LJQANCHMSA-N 1 1 322.493 3.060 40 0 DGABMO Cc1ccc(CC(=O)N2CCC([C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000585113252 400126113 /nfs/dbraw/zinc/12/61/13/400126113.db2.gz VGSCOPDTELPVBN-IBGZPJMESA-N 1 1 314.473 3.260 40 0 DGABMO COc1cc2c(cc1OC)C(=O)[C@H]([NH+]1CCCCC1)CCC2 ZINC000001699158 286257829 /nfs/dbraw/zinc/25/78/29/286257829.db2.gz AUMOZXJIOABWJQ-OAHLLOKOSA-N 1 1 303.402 3.077 40 0 DGABMO CC[C@@H]1[N@@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052418 287312798 /nfs/dbraw/zinc/31/27/98/287312798.db2.gz UMXWTTNOGRNVSP-WMZOPIPTSA-N 1 1 304.409 3.191 40 0 DGABMO CC[NH+](CC)C[C@H](O)CNc1c(C)cnc2cc(Cl)ccc21 ZINC000001700232 276108902 /nfs/dbraw/zinc/10/89/02/276108902.db2.gz DPTZFBWALSIQRG-CQSZACIVSA-N 1 1 321.852 3.311 40 0 DGABMO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cccc(OC)c2)n1 ZINC000257341085 277046414 /nfs/dbraw/zinc/04/64/14/277046414.db2.gz ZIUJHZZJDALZEH-KRWDZBQOSA-N 1 1 312.417 3.254 40 0 DGABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000001093949 431214857 /nfs/dbraw/zinc/21/48/57/431214857.db2.gz UQVPRKDTEWEKHO-LRDDRELGSA-N 1 1 309.356 3.386 40 0 DGABMO COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000001592859 431232509 /nfs/dbraw/zinc/23/25/09/431232509.db2.gz 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COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000036752898 431841131 /nfs/dbraw/zinc/84/11/31/431841131.db2.gz XQQMBHVHRGDJED-KRWDZBQOSA-N 1 1 315.392 3.142 40 0 DGABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000036752898 431841132 /nfs/dbraw/zinc/84/11/32/431841132.db2.gz XQQMBHVHRGDJED-KRWDZBQOSA-N 1 1 315.392 3.142 40 0 DGABMO CSCC[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441186 431847062 /nfs/dbraw/zinc/84/70/62/431847062.db2.gz AADWMJJEQWQGQK-QMMMGPOBSA-N 1 1 300.225 3.078 40 0 DGABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)(C)C)n2)cn1 ZINC000035426146 431829699 /nfs/dbraw/zinc/82/96/99/431829699.db2.gz QVAZDUQDJPUMOS-ZDUSSCGKSA-N 1 1 315.421 3.356 40 0 biogenic,in-vitro DGABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)o1 ZINC000097953893 431975459 /nfs/dbraw/zinc/97/54/59/431975459.db2.gz TYZFYVSPXWMWOO-NWANDNLSSA-N 1 1 304.415 3.397 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)o1 ZINC000097953893 431975461 /nfs/dbraw/zinc/97/54/61/431975461.db2.gz TYZFYVSPXWMWOO-NWANDNLSSA-N 1 1 304.415 3.397 40 0 DGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096048556 431934807 /nfs/dbraw/zinc/93/48/07/431934807.db2.gz VVCOFBDMQNUGCT-RDJZCZTQSA-N 1 1 317.458 3.249 40 0 DGABMO c1csc(CN2CCC3(CC2)CC[NH+](CC2CC2)CC3)n1 ZINC000096047223 431934891 /nfs/dbraw/zinc/93/48/91/431934891.db2.gz FGOYLJCABWMWIO-UHFFFAOYSA-N 1 1 305.491 3.231 40 0 DGABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096040912 431935599 /nfs/dbraw/zinc/93/55/99/431935599.db2.gz SDXCVQOZWDPFIZ-KFWWJZLASA-N 1 1 319.430 3.243 40 0 DGABMO c1cncc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCC2)C3)c1 ZINC000096040148 431936003 /nfs/dbraw/zinc/93/60/03/431936003.db2.gz ZBFGURHVZVHBQB-MOPGFXCFSA-N 1 1 316.445 3.022 40 0 DGABMO CCOC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2cn(CC)nc21 ZINC000096059911 431936388 /nfs/dbraw/zinc/93/63/88/431936388.db2.gz PPPCHBIVKHXJGT-OAHLLOKOSA-N 1 1 319.474 3.409 40 0 DGABMO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2cn(CC)nc21 ZINC000096059911 431936390 /nfs/dbraw/zinc/93/63/90/431936390.db2.gz PPPCHBIVKHXJGT-OAHLLOKOSA-N 1 1 319.474 3.409 40 0 DGABMO Fc1cccc(C[NH+]2C[C@@H]3CN(Cc4ccsc4)C[C@H]3C2)c1 ZINC000096053857 431936556 /nfs/dbraw/zinc/93/65/56/431936556.db2.gz HOBCYVPQUSKGDG-IAGOWNOFSA-N 1 1 316.445 3.451 40 0 DGABMO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000049169792 431936793 /nfs/dbraw/zinc/93/67/93/431936793.db2.gz XGGGOTNATWKIIE-AWEZNQCLSA-N 1 1 322.412 3.341 40 0 biogenic,in-vitro DGABMO CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096056801 431937111 /nfs/dbraw/zinc/93/71/11/431937111.db2.gz HGJXULPVWFKQRR-OALUTQOASA-N 1 1 319.445 3.103 40 0 DGABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1F ZINC000049168795 431937178 /nfs/dbraw/zinc/93/71/78/431937178.db2.gz QXTXTQUZJZTNHP-LBPRGKRZSA-N 1 1 314.339 3.226 40 0 biogenic,in-vitro DGABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096100318 431937688 /nfs/dbraw/zinc/93/76/88/431937688.db2.gz JRQPZYCEMMICLQ-FQEVSTJZSA-N 1 1 322.408 3.180 40 0 DGABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096189088 431941378 /nfs/dbraw/zinc/94/13/78/431941378.db2.gz DGVJBZJIDDZUKQ-INIZCTEOSA-N 1 1 317.458 3.003 40 0 DGABMO c1cc2n(n1)C[C@@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096189088 431941380 /nfs/dbraw/zinc/94/13/80/431941380.db2.gz DGVJBZJIDDZUKQ-INIZCTEOSA-N 1 1 317.458 3.003 40 0 DGABMO COC[C@H]1CN(C)C[C@@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC000096217142 431942745 /nfs/dbraw/zinc/94/27/45/431942745.db2.gz PKLRBZHMOFZTRV-TZIWHRDSSA-N 1 1 324.468 3.240 40 0 DGABMO COC[C@H]1CN(C)C[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC000096217142 431942746 /nfs/dbraw/zinc/94/27/46/431942746.db2.gz PKLRBZHMOFZTRV-TZIWHRDSSA-N 1 1 324.468 3.240 40 0 DGABMO Cc1ccc(CN2CC[C@]3(c4ccccc4)CC[N@H+](C)[C@H]3C2)o1 ZINC000248122915 432270262 /nfs/dbraw/zinc/27/02/62/432270262.db2.gz KPSAMBPHSBLLJS-PMACEKPBSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122915 432270265 /nfs/dbraw/zinc/27/02/65/432270265.db2.gz KPSAMBPHSBLLJS-PMACEKPBSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122915 432270269 /nfs/dbraw/zinc/27/02/69/432270269.db2.gz KPSAMBPHSBLLJS-PMACEKPBSA-N 1 1 310.441 3.436 40 0 DGABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000248165024 432271251 /nfs/dbraw/zinc/27/12/51/432271251.db2.gz RDTDJYDEJUPGHY-GOSISDBHSA-N 1 1 324.424 3.202 40 0 DGABMO c1cc2n(c1)[C@H](COCc1ccncc1)C[N@H+](C1CCCC1)C2 ZINC000253597001 432401188 /nfs/dbraw/zinc/40/11/88/432401188.db2.gz YWRHZPNJQDUTDP-IBGZPJMESA-N 1 1 311.429 3.399 40 0 DGABMO Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000260812983 432428725 /nfs/dbraw/zinc/42/87/25/432428725.db2.gz NUIFVXNKGHALGL-INIZCTEOSA-N 1 1 302.462 3.084 40 0 DGABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257213068 432417723 /nfs/dbraw/zinc/41/77/23/432417723.db2.gz CGBLKZMUCBDHND-CYBMUJFWSA-N 1 1 313.430 3.102 40 0 DGABMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000257215168 432418116 /nfs/dbraw/zinc/41/81/16/432418116.db2.gz CPAROEIONSDMKI-GOSISDBHSA-N 1 1 310.401 3.162 40 0 DGABMO CN(c1ccncn1)C1CC2(C1)CC[N@@H+](Cc1cccs1)C2 ZINC000257213799 432418958 /nfs/dbraw/zinc/41/89/58/432418958.db2.gz CJCURKYIFRQYRM-UHFFFAOYSA-N 1 1 314.458 3.029 40 0 DGABMO Cc1ncc(-c2cc([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205928 432419133 /nfs/dbraw/zinc/41/91/33/432419133.db2.gz BBCIDNGCUJANCV-HNNXBMFYSA-N 1 1 313.449 3.082 40 0 DGABMO CC(C)n1nccc1C[N@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221683 432421316 /nfs/dbraw/zinc/42/13/16/432421316.db2.gz DQCKBVKRGZPLCB-HNNXBMFYSA-N 1 1 324.432 3.115 40 0 DGABMO CCn1nccc1-c1cc([C@@H]2CCC[N@H+](C(C)C)C2)nc(C)n1 ZINC000257222006 432421394 /nfs/dbraw/zinc/42/13/94/432421394.db2.gz DRMYFFSLCKYQRF-OAHLLOKOSA-N 1 1 313.449 3.256 40 0 DGABMO c1cc2cc(C[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249923 432423374 /nfs/dbraw/zinc/42/33/74/432423374.db2.gz JKGLACITLSPLQA-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO c1ccc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc1 ZINC000257268563 432423835 /nfs/dbraw/zinc/42/38/35/432423835.db2.gz MMGASCKGCDGIOG-LJQANCHMSA-N 1 1 305.381 3.203 40 0 DGABMO c1ccc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc1 ZINC000257268563 432423841 /nfs/dbraw/zinc/42/38/41/432423841.db2.gz MMGASCKGCDGIOG-LJQANCHMSA-N 1 1 305.381 3.203 40 0 DGABMO CC[NH+]1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225351674 432689393 /nfs/dbraw/zinc/68/93/93/432689393.db2.gz WLOTVBJTPQOAEM-UHFFFAOYSA-N 1 1 315.244 3.090 40 0 DGABMO O=C1CC[C@]2(CCC[N@@H+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000585100454 547024906 /nfs/dbraw/zinc/02/49/06/547024906.db2.gz KXCMZPSPKWEYHU-FQEVSTJZSA-N 1 1 312.457 3.444 40 0 DGABMO CCCn1nccc1C(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000028245410 1193872024 /nfs/dbraw/zinc/87/20/24/1193872024.db2.gz HBPFFFXZRKLEMQ-UHFFFAOYSA-N 1 1 309.373 3.040 40 0 DGABMO c1cc(C[N@@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cs1 ZINC000306127465 231086262 /nfs/dbraw/zinc/08/62/62/231086262.db2.gz FZCZJOXRMGOYII-HOTGVXAUSA-N 1 1 322.437 3.236 40 0 DGABMO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000072203887 191076199 /nfs/dbraw/zinc/07/61/99/191076199.db2.gz FHGVPLURQHUYFF-KGLIPLIRSA-N 1 1 305.422 3.132 40 0 DGABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000072203887 191076202 /nfs/dbraw/zinc/07/62/02/191076202.db2.gz FHGVPLURQHUYFF-KGLIPLIRSA-N 1 1 305.422 3.132 40 0 DGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2ccnc(C)n2)n1 ZINC000072355616 191130926 /nfs/dbraw/zinc/13/09/26/191130926.db2.gz IIYGJJYWVJWXQU-MRXNPFEDSA-N 1 1 320.400 3.016 40 0 DGABMO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072359942 191129985 /nfs/dbraw/zinc/12/99/85/191129985.db2.gz YNDYCJGMTWKKDW-OAHLLOKOSA-N 1 1 324.432 3.398 40 0 DGABMO CC(C)[N@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361668 191132279 /nfs/dbraw/zinc/13/22/79/191132279.db2.gz AFAIOGMFYYFLDB-ZDUSSCGKSA-N 1 1 317.462 3.340 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@H](Cc2cccc3ncccc23)C1 ZINC000072367626 191137386 /nfs/dbraw/zinc/13/73/86/191137386.db2.gz ZSIOIIMIXBELFE-OAHLLOKOSA-N 1 1 306.413 3.033 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@@H](Cc2cccc3cccnc32)C1 ZINC000072368082 191138044 /nfs/dbraw/zinc/13/80/44/191138044.db2.gz OWTKMAPTMSVROF-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO c1cncc(Oc2cncc([C@@H]3CCC[N@H+](CC4CC4)C3)n2)c1 ZINC000072383889 191144428 /nfs/dbraw/zinc/14/44/28/191144428.db2.gz ADHAQEBGAHKRBY-OAHLLOKOSA-N 1 1 310.401 3.253 40 0 DGABMO Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712811 432037389 /nfs/dbraw/zinc/03/73/89/432037389.db2.gz ZBZVUIRSKQEMEE-MOPGFXCFSA-N 1 1 318.461 3.186 40 0 DGABMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@](C)(C2)C3(C)C)cc1 ZINC000004194953 181084133 /nfs/dbraw/zinc/08/41/33/181084133.db2.gz UPSAPLHWTQECAM-IFXJQAMLSA-N 1 1 316.445 3.392 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751981 432039050 /nfs/dbraw/zinc/03/90/50/432039050.db2.gz 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c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072378633 191141538 /nfs/dbraw/zinc/14/15/38/191141538.db2.gz DSYPPXSQVCIRTA-KRWDZBQOSA-N 1 1 319.412 3.042 40 0 DGABMO O=C(NC1[C@@H]2CCC[C@H]1C[N@@H+](C1CC1)C2)c1ccc(Cl)cc1 ZINC000004935168 181175099 /nfs/dbraw/zinc/17/50/99/181175099.db2.gz FTVQIRKWWNOSJN-VMZNBEPHSA-N 1 1 318.848 3.333 40 0 DGABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000223993008 201666825 /nfs/dbraw/zinc/66/68/25/201666825.db2.gz OCFBKRSGTIXUJX-OAHLLOKOSA-N 1 1 318.461 3.246 40 0 DGABMO CC[NH+]1CCC(N2CCC(C)(c3ncc(C)s3)CC2)CC1 ZINC000257276482 203003706 /nfs/dbraw/zinc/00/37/06/203003706.db2.gz NTXMLAKHSXGYTE-UHFFFAOYSA-N 1 1 307.507 3.289 40 0 DGABMO CCN1CCC([N@H+]2CCC[C@@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295456 203021154 /nfs/dbraw/zinc/02/11/54/203021154.db2.gz QYIZUXDCWSEKKA-SFHVURJKSA-N 1 1 301.478 3.129 40 0 DGABMO Cc1nc(C[N@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257305314 203029852 /nfs/dbraw/zinc/02/98/52/203029852.db2.gz 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3.261 40 0 DGABMO CCN(CC)CC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000022794978 182335132 /nfs/dbraw/zinc/33/51/32/182335132.db2.gz ZMCDSBQGSSIJLF-PMACEKPBSA-N 1 1 312.457 3.393 40 0 DGABMO C[N@@H+]1Cc2cnn(CC3CCCC3)c2[C@H](COCC2CC2)C1 ZINC000105134925 194077531 /nfs/dbraw/zinc/07/75/31/194077531.db2.gz RQPYPJAUMAPCDD-KRWDZBQOSA-N 1 1 303.450 3.029 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@H]3CCCC[C@H]32)C1 ZINC000242400241 257120813 /nfs/dbraw/zinc/12/08/13/257120813.db2.gz ARUFQWJKFOKKNK-ZSYWTGECSA-N 1 1 306.494 3.473 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@H]3CCCC[C@H]32)C1 ZINC000242400241 257120815 /nfs/dbraw/zinc/12/08/15/257120815.db2.gz ARUFQWJKFOKKNK-ZSYWTGECSA-N 1 1 306.494 3.473 40 0 DGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1 ZINC000072228029 257122341 /nfs/dbraw/zinc/12/23/41/257122341.db2.gz UURKZQICIKUXMP-CVEARBPZSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000072227776 257122435 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324.428 3.357 40 0 DGABMO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613713 434588986 /nfs/dbraw/zinc/58/89/86/434588986.db2.gz ZPOVXWTWTKKMPD-HXUWFJFHSA-N 1 1 320.436 3.350 40 0 DGABMO CCOc1cc(-c2[nH+]c3ccc(Cl)cn3c2N)ccc1O ZINC000408980062 434594836 /nfs/dbraw/zinc/59/48/36/434594836.db2.gz UGTBMGZITKFWEQ-UHFFFAOYSA-N 1 1 303.749 3.341 40 0 DGABMO O=C1CCC[C@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139816 1188445871 /nfs/dbraw/zinc/44/58/71/1188445871.db2.gz MHLMBYWVPBTMRI-ZJOUEHCJSA-N 1 1 320.436 3.323 40 0 DGABMO Cc1[nH+]cc(CN2CCc3c4cc(Cl)ccc4[nH]c3C2)n1C ZINC000012147163 282151671 /nfs/dbraw/zinc/15/16/71/282151671.db2.gz DWJCAEPTCKPOJD-UHFFFAOYSA-N 1 1 314.820 3.422 40 0 DGABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000306127823 529642355 /nfs/dbraw/zinc/64/23/55/529642355.db2.gz GINCXPHHCIKKKH-RBUKOAKNSA-N 1 1 311.429 3.086 40 0 DGABMO CCc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)o1 ZINC000306127823 529642357 /nfs/dbraw/zinc/64/23/57/529642357.db2.gz GINCXPHHCIKKKH-RBUKOAKNSA-N 1 1 311.429 3.086 40 0 DGABMO CCc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)o1 ZINC000306127823 529642359 /nfs/dbraw/zinc/64/23/59/529642359.db2.gz GINCXPHHCIKKKH-RBUKOAKNSA-N 1 1 311.429 3.086 40 0 DGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 ZINC000096261352 282384566 /nfs/dbraw/zinc/38/45/66/282384566.db2.gz SBHPHTNJHOBDRN-MOPGFXCFSA-N 1 1 313.445 3.039 40 0 DGABMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 ZINC000096261352 282384567 /nfs/dbraw/zinc/38/45/67/282384567.db2.gz SBHPHTNJHOBDRN-MOPGFXCFSA-N 1 1 313.445 3.039 40 0 DGABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355533 191130422 /nfs/dbraw/zinc/13/04/22/191130422.db2.gz MSHQVZGRKMRHIR-HNNXBMFYSA-N 1 1 313.449 3.374 40 0 DGABMO Cc1csc(CCNc2ccc([C@H]3CCC[N@@H+]3C)nc2)n1 ZINC000072365558 191134110 /nfs/dbraw/zinc/13/41/10/191134110.db2.gz BZAQAUSWTRIYTF-OAHLLOKOSA-N 1 1 302.447 3.268 40 0 DGABMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1 ZINC000072368003 191137828 /nfs/dbraw/zinc/13/78/28/191137828.db2.gz GFBBLBNPRYJLGH-INIZCTEOSA-N 1 1 306.413 3.033 40 0 DGABMO CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372993 191139361 /nfs/dbraw/zinc/13/93/61/191139361.db2.gz WBSHPIRITDNBBW-DLBZAZTESA-N 1 1 323.440 3.185 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@@H]3CCCC[N@H+]3C)n2)n1 ZINC000072382357 191142562 /nfs/dbraw/zinc/14/25/62/191142562.db2.gz AQGOCGPPQZYPGD-LBPRGKRZSA-N 1 1 303.435 3.450 40 0 DGABMO Cc1csc(Nc2cc(C)nc([C@@H]3CCCC[N@@H+]3C)n2)n1 ZINC000072382357 191142564 /nfs/dbraw/zinc/14/25/64/191142564.db2.gz AQGOCGPPQZYPGD-LBPRGKRZSA-N 1 1 303.435 3.450 40 0 DGABMO COc1ccccc1C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005222291 181218560 /nfs/dbraw/zinc/21/85/60/181218560.db2.gz AXUGOKFRYJOWGL-GDBMZVCRSA-N 1 1 303.402 3.117 40 0 biogenic,in-vitro DGABMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccsc2)cc(N(C)C)n1 ZINC000257273730 203001964 /nfs/dbraw/zinc/00/19/64/203001964.db2.gz NHXWUVOKJCEFMG-OAHLLOKOSA-N 1 1 302.447 3.250 40 0 DGABMO COc1cccc(F)c1C[N@H+]1CCC[C@@H](c2nc(C)cn2C)C1 ZINC000257332443 203055334 /nfs/dbraw/zinc/05/53/34/203055334.db2.gz XXIZYSVQBVJKLD-CQSZACIVSA-N 1 1 317.408 3.256 40 0 DGABMO c1cc2cc(C[C@H]3COCC[N@@H+](Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313787 203037804 /nfs/dbraw/zinc/03/78/04/203037804.db2.gz UUDOQKWUAQMJOG-QGZVFWFLSA-N 1 1 321.424 3.254 40 0 DGABMO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257317754 203043510 /nfs/dbraw/zinc/04/35/10/203043510.db2.gz VKZIBWGIRLCLEV-AYOQOUSVSA-N 1 1 309.413 3.074 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)c2ccccc21 ZINC000257322233 203047730 /nfs/dbraw/zinc/04/77/30/203047730.db2.gz WFCVVTNJFSGPKA-OAHLLOKOSA-N 1 1 306.413 3.348 40 0 DGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335733 203058426 /nfs/dbraw/zinc/05/84/26/203058426.db2.gz YLOSEGZUOZPHBQ-AWEZNQCLSA-N 1 1 324.428 3.354 40 0 DGABMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4ccn[nH]4)C3)cc2c1 ZINC000257335733 203058427 /nfs/dbraw/zinc/05/84/27/203058427.db2.gz YLOSEGZUOZPHBQ-AWEZNQCLSA-N 1 1 324.428 3.354 40 0 DGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](Cc4ccn[nH]4)C3)cc2c1 ZINC000257335733 203058431 /nfs/dbraw/zinc/05/84/31/203058431.db2.gz YLOSEGZUOZPHBQ-AWEZNQCLSA-N 1 1 324.428 3.354 40 0 DGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335734 203059000 /nfs/dbraw/zinc/05/90/00/203059000.db2.gz YLOSEGZUOZPHBQ-CQSZACIVSA-N 1 1 324.428 3.354 40 0 DGABMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cc4ccn[nH]4)C3)cc2c1 ZINC000257335734 203059001 /nfs/dbraw/zinc/05/90/01/203059001.db2.gz YLOSEGZUOZPHBQ-CQSZACIVSA-N 1 1 324.428 3.354 40 0 DGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](Cc4ccn[nH]4)C3)cc2c1 ZINC000257335734 203059005 /nfs/dbraw/zinc/05/90/05/203059005.db2.gz YLOSEGZUOZPHBQ-CQSZACIVSA-N 1 1 324.428 3.354 40 0 DGABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340981 182116817 /nfs/dbraw/zinc/11/68/17/182116817.db2.gz KXMJBUKKFGONFI-OAHLLOKOSA-N 1 1 324.359 3.260 40 0 DGABMO Cc1nn(C)cc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000019583696 182132465 /nfs/dbraw/zinc/13/24/65/182132465.db2.gz BLJYQYQXJDYHFC-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1nn(C)cc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000019583696 182132466 /nfs/dbraw/zinc/13/24/66/182132466.db2.gz BLJYQYQXJDYHFC-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1cc(C)n(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000019656776 182134044 /nfs/dbraw/zinc/13/40/44/182134044.db2.gz QYEWFCDLSMHWPF-UHFFFAOYSA-N 1 1 309.417 3.213 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(F)cc1 ZINC000020489105 182223813 /nfs/dbraw/zinc/22/38/13/182223813.db2.gz MIWDFRCLJZTTBR-UHFFFAOYSA-N 1 1 309.344 3.250 40 0 DGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccncc3)cc2)C1 ZINC000022532171 182325684 /nfs/dbraw/zinc/32/56/84/182325684.db2.gz CRBUQWQDFYQZRW-INIZCTEOSA-N 1 1 323.440 3.244 40 0 DGABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228172 257121773 /nfs/dbraw/zinc/12/17/73/257121773.db2.gz MZOUVGASVLXEPC-HUUCEWRRSA-N 1 1 320.314 3.116 40 0 DGABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227988 257122220 /nfs/dbraw/zinc/12/22/20/257122220.db2.gz BNBGCMKLKWBJOL-HZPDHXFCSA-N 1 1 300.789 3.318 40 0 DGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000072228030 257122459 /nfs/dbraw/zinc/12/24/59/257122459.db2.gz BRYXSVAPUHOEDQ-JKSUJKDBSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227388 257122824 /nfs/dbraw/zinc/12/28/24/257122824.db2.gz WEWPEWXTXJDILC-ZIAGYGMSSA-N 1 1 306.287 3.121 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F ZINC000072227534 257122901 /nfs/dbraw/zinc/12/29/01/257122901.db2.gz ROKHSQSYZOFPDX-UONOGXRCSA-N 1 1 324.277 3.260 40 0 DGABMO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1C(=O)c1ccccc1 ZINC000072223704 257123584 /nfs/dbraw/zinc/12/35/84/257123584.db2.gz NCPKTYMLJHYEPB-UHFFFAOYSA-N 1 1 323.440 3.151 40 0 DGABMO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N2CCCCC2)cc1C ZINC000072219254 257124319 /nfs/dbraw/zinc/12/43/19/257124319.db2.gz SKABCDFQVVFAHV-KRWDZBQOSA-N 1 1 301.434 3.454 40 0 DGABMO Cc1ccccc1C(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238866493 257213282 /nfs/dbraw/zinc/21/32/82/257213282.db2.gz LWUJVCXSUBLQOE-IBGZPJMESA-N 1 1 320.436 3.268 40 0 DGABMO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000585109230 400125121 /nfs/dbraw/zinc/12/51/21/400125121.db2.gz DHQKQYLHTNQPLX-OKZBNKHCSA-N 1 1 312.457 3.329 40 0 DGABMO CCCC(CCC)[N@H+]1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585287862 400130961 /nfs/dbraw/zinc/13/09/61/400130961.db2.gz UDWXMIYZWFBRQT-IBGZPJMESA-N 1 1 321.461 3.098 40 0 DGABMO C[N@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC000019712355 400186318 /nfs/dbraw/zinc/18/63/18/400186318.db2.gz ZJWDZGZLLYQNQR-RTBURBONSA-N 1 1 312.457 3.264 40 0 DGABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000129212903 196029150 /nfs/dbraw/zinc/02/91/50/196029150.db2.gz ADNWZGXHODXRNS-CQSZACIVSA-N 1 1 302.418 3.288 40 0 DGABMO COC[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247843884 432251183 /nfs/dbraw/zinc/25/11/83/432251183.db2.gz LVSNKKGPEDRFRD-SFHVURJKSA-N 1 1 307.397 3.240 40 0 DGABMO COC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247843884 432251185 /nfs/dbraw/zinc/25/11/85/432251185.db2.gz LVSNKKGPEDRFRD-SFHVURJKSA-N 1 1 307.397 3.240 40 0 DGABMO COC[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247843880 432251212 /nfs/dbraw/zinc/25/12/12/432251212.db2.gz LVSNKKGPEDRFRD-GOSISDBHSA-N 1 1 307.397 3.240 40 0 DGABMO COC[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247843880 432251213 /nfs/dbraw/zinc/25/12/13/432251213.db2.gz LVSNKKGPEDRFRD-GOSISDBHSA-N 1 1 307.397 3.240 40 0 DGABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000257222424 277037998 /nfs/dbraw/zinc/03/79/98/277037998.db2.gz DTFXZAHCBYFSHR-SFHVURJKSA-N 1 1 301.434 3.187 40 0 DGABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876635 431446263 /nfs/dbraw/zinc/44/62/63/431446263.db2.gz YHODADAONDZXDP-JTQLQIEISA-N 1 1 316.232 3.457 40 0 DGABMO c1ccc2c(c1)C[N@H+](Cc1ccncc1)CC1(CCOCC1)O2 ZINC000012088437 431490071 /nfs/dbraw/zinc/49/00/71/431490071.db2.gz VBFRACBKLFRXEV-UHFFFAOYSA-N 1 1 310.397 3.025 40 0 DGABMO c1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)nc1 ZINC000012088438 431490657 /nfs/dbraw/zinc/49/06/57/431490657.db2.gz QUUOTOCPBINWRX-UHFFFAOYSA-N 1 1 310.397 3.025 40 0 DGABMO C=Cn1ncc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)c1C ZINC000012188434 431497393 /nfs/dbraw/zinc/49/73/93/431497393.db2.gz LJZSZUQWKZSHGO-UHFFFAOYSA-N 1 1 308.385 3.178 40 0 DGABMO [NH3+][C@@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(F)cc1 ZINC000095533304 431925808 /nfs/dbraw/zinc/92/58/08/431925808.db2.gz FAERXYISUOOTEH-CYBMUJFWSA-N 1 1 302.740 3.312 40 0 DGABMO O=C(c1ccsc1)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC000096046658 431934905 /nfs/dbraw/zinc/93/49/05/431934905.db2.gz 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DRFCVARXMUVTPU-SFHVURJKSA-N 1 1 302.462 3.065 40 0 DGABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876627 431447398 /nfs/dbraw/zinc/44/73/98/431447398.db2.gz YHODADAONDZXDP-SNVBAGLBSA-N 1 1 316.232 3.457 40 0 DGABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2c(C)nn(C)c2C)no1 ZINC000012186590 431497237 /nfs/dbraw/zinc/49/72/37/431497237.db2.gz UMJKARGYHQAWPI-KRWDZBQOSA-N 1 1 302.422 3.451 40 0 DGABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2c(C)nn(C)c2C)no1 ZINC000012186590 431497248 /nfs/dbraw/zinc/49/72/48/431497248.db2.gz UMJKARGYHQAWPI-KRWDZBQOSA-N 1 1 302.422 3.451 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)cc1 ZINC000013612611 431559324 /nfs/dbraw/zinc/55/93/24/431559324.db2.gz JNYQBTWNQBNHGO-MRXNPFEDSA-N 1 1 304.434 3.080 40 0 DGABMO OCC[N@H+](Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000013569586 431561509 /nfs/dbraw/zinc/56/15/09/431561509.db2.gz LQJSDKFCQZKPKW-UHFFFAOYSA-N 1 1 311.212 3.383 40 0 DGABMO OCC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000013569586 431561516 /nfs/dbraw/zinc/56/15/16/431561516.db2.gz LQJSDKFCQZKPKW-UHFFFAOYSA-N 1 1 311.212 3.383 40 0 DGABMO [NH3+][C@@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccc(F)cc1 ZINC000095533254 431926156 /nfs/dbraw/zinc/92/61/56/431926156.db2.gz JDLLBPHTKOYPKZ-CYBMUJFWSA-N 1 1 302.740 3.312 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)s1 ZINC000097953570 431975352 /nfs/dbraw/zinc/97/53/52/431975352.db2.gz IZUWLZNLHGCSPZ-KFWWJZLASA-N 1 1 319.430 3.243 40 0 DGABMO Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3CC3CC3)CC2)o1 ZINC000096049305 431935250 /nfs/dbraw/zinc/93/52/50/431935250.db2.gz BZZJWSUWPCXXGZ-UHFFFAOYSA-N 1 1 302.418 3.069 40 0 DGABMO c1csc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC000096059014 431936196 /nfs/dbraw/zinc/93/61/96/431936196.db2.gz AVKWVWTVFRHSIJ-UHFFFAOYSA-N 1 1 317.458 3.277 40 0 DGABMO c1csc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC000096059014 431936199 /nfs/dbraw/zinc/93/61/99/431936199.db2.gz AVKWVWTVFRHSIJ-UHFFFAOYSA-N 1 1 317.458 3.277 40 0 DGABMO Cn1cccc1CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000096062856 431936453 /nfs/dbraw/zinc/93/64/53/431936453.db2.gz HDTVGTFJVMLJIC-UHFFFAOYSA-N 1 1 313.445 3.106 40 0 DGABMO Cn1cccc1CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000096062856 431936456 /nfs/dbraw/zinc/93/64/56/431936456.db2.gz HDTVGTFJVMLJIC-UHFFFAOYSA-N 1 1 313.445 3.106 40 0 DGABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccnc3)C2)o1 ZINC000049170564 431936697 /nfs/dbraw/zinc/93/66/97/431936697.db2.gz FLAMIBLDDNGEEZ-AWEZNQCLSA-N 1 1 324.359 3.260 40 0 biogenic,in-vitro DGABMO O=C(c1cscn1)N1CC[C@]2(CCC[N@H+]2CC2CCCC2)C1 ZINC000096071062 431936705 /nfs/dbraw/zinc/93/67/05/431936705.db2.gz MSLDMNNPFVFOJF-QGZVFWFLSA-N 1 1 319.474 3.014 40 0 DGABMO CN1CCC([N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000049168823 431936964 /nfs/dbraw/zinc/93/69/64/431936964.db2.gz ICBZCYZSCLQTLI-LBPRGKRZSA-N 1 1 319.836 3.365 40 0 biogenic,in-vitro DGABMO CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096056799 431936978 /nfs/dbraw/zinc/93/69/78/431936978.db2.gz HGJXULPVWFKQRR-MOPGFXCFSA-N 1 1 319.445 3.103 40 0 DGABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169485 431937015 /nfs/dbraw/zinc/93/70/15/431937015.db2.gz QERFKANMUSWSLB-ZDUSSCGKSA-N 1 1 313.332 3.458 40 0 biogenic,in-vitro DGABMO Cc1ccc(C[N@H+]2CCc3c(COC(C)C)nn(C)c3C2)s1 ZINC000096058971 431937017 /nfs/dbraw/zinc/93/70/17/431937017.db2.gz PTTXGIXEOTVREU-UHFFFAOYSA-N 1 1 319.474 3.273 40 0 DGABMO Cc1ccc(C[N@@H+]2CCc3c(COC(C)C)nn(C)c3C2)s1 ZINC000096058971 431937019 /nfs/dbraw/zinc/93/70/19/431937019.db2.gz PTTXGIXEOTVREU-UHFFFAOYSA-N 1 1 319.474 3.273 40 0 DGABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169665 431937045 /nfs/dbraw/zinc/93/70/45/431937045.db2.gz FSFCPNRSPOTRFA-HNNXBMFYSA-N 1 1 324.359 3.260 40 0 biogenic,in-vitro DGABMO c1csc(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169615 431937102 /nfs/dbraw/zinc/93/71/02/431937102.db2.gz UHZDGGHFTCZEGL-ZDUSSCGKSA-N 1 1 312.398 3.183 40 0 biogenic,in-vitro DGABMO Cc1cccc(N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)[nH+]1 ZINC000096077558 431938150 /nfs/dbraw/zinc/93/81/50/431938150.db2.gz BSFNKGBBANTXHT-KRWDZBQOSA-N 1 1 313.426 3.085 40 0 DGABMO CC(C)C[N@H+]1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC000096113166 431938621 /nfs/dbraw/zinc/93/86/21/431938621.db2.gz IJWDAPPAWFBXSO-OAHLLOKOSA-N 1 1 317.351 3.441 40 0 biogenic,in-vitro DGABMO CO[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110534 431939136 /nfs/dbraw/zinc/93/91/36/431939136.db2.gz HSVAJZRWDUKAAW-PMACEKPBSA-N 1 1 317.473 3.301 40 0 DGABMO c1csc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096208396 431942756 /nfs/dbraw/zinc/94/27/56/431942756.db2.gz OEIZUUFTFUQWEO-PBHICJAKSA-N 1 1 315.442 3.219 40 0 DGABMO c1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096208396 431942758 /nfs/dbraw/zinc/94/27/58/431942758.db2.gz OEIZUUFTFUQWEO-PBHICJAKSA-N 1 1 315.442 3.219 40 0 DGABMO Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096244933 431943439 /nfs/dbraw/zinc/94/34/39/431943439.db2.gz NBHPFSUAVZIGRN-HKUYNNGSSA-N 1 1 321.424 3.343 40 0 DGABMO CC[NH+]1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 ZINC000059076383 431998154 /nfs/dbraw/zinc/99/81/54/431998154.db2.gz UKHJITHNLFZXPC-LVZFUZTISA-N 1 1 320.436 3.391 40 0 DGABMO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000248009327 432262422 /nfs/dbraw/zinc/26/24/22/432262422.db2.gz PAPNJUCNURORGR-YJBOKZPZSA-N 1 1 322.399 3.045 40 0 DGABMO CC(C)n1ccnc1C[N@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257209456 432418454 /nfs/dbraw/zinc/41/84/54/432418454.db2.gz BQKZMEPUQOCHLP-HNNXBMFYSA-N 1 1 324.432 3.115 40 0 DGABMO Cc1n[nH]cc1C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257210403 432419077 /nfs/dbraw/zinc/41/90/77/432419077.db2.gz BULRPSRXZMOBNO-HNNXBMFYSA-N 1 1 306.413 3.331 40 0 DGABMO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257210403 432419081 /nfs/dbraw/zinc/41/90/81/432419081.db2.gz BULRPSRXZMOBNO-HNNXBMFYSA-N 1 1 306.413 3.331 40 0 DGABMO Cc1[nH]ncc1C[N@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257210403 432419086 /nfs/dbraw/zinc/41/90/86/432419086.db2.gz BULRPSRXZMOBNO-HNNXBMFYSA-N 1 1 306.413 3.331 40 0 DGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221684 432419617 /nfs/dbraw/zinc/41/96/17/432419617.db2.gz DQCKBVKRGZPLCB-OAHLLOKOSA-N 1 1 324.432 3.115 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257227303 432420774 /nfs/dbraw/zinc/42/07/74/432420774.db2.gz FOPRZTJUQSNVAU-CQSZACIVSA-N 1 1 324.403 3.487 40 0 DGABMO CCCCn1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250315 432421778 /nfs/dbraw/zinc/42/17/78/432421778.db2.gz JMAHIDKXNMJZMK-INIZCTEOSA-N 1 1 315.465 3.403 40 0 DGABMO Cc1cc(C)nc([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257254371 432421976 /nfs/dbraw/zinc/42/19/76/432421976.db2.gz KCTPXKRPXXXRFD-SFHVURJKSA-N 1 1 321.424 3.359 40 0 DGABMO Cc1nccc(C[NH+]2CCC(C)(c3ncc(Cl)s3)CC2)n1 ZINC000257254070 432422510 /nfs/dbraw/zinc/42/25/10/432422510.db2.gz KBLIDEYLTPIRGV-UHFFFAOYSA-N 1 1 322.865 3.449 40 0 DGABMO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cccc(C)n3)C2)cs1 ZINC000257246311 432423243 /nfs/dbraw/zinc/42/32/43/432423243.db2.gz ITOHBXGISWXQGS-INIZCTEOSA-N 1 1 316.474 3.256 40 0 DGABMO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cccc(C)n3)C2)cs1 ZINC000257246311 432423247 /nfs/dbraw/zinc/42/32/47/432423247.db2.gz ITOHBXGISWXQGS-INIZCTEOSA-N 1 1 316.474 3.256 40 0 DGABMO CNc1cccc([C@@H]2C[N@H+](Cc3sccc3C)CCO2)n1 ZINC000257240627 432423508 /nfs/dbraw/zinc/42/35/08/432423508.db2.gz HUJYUFYSWIETPT-AWEZNQCLSA-N 1 1 303.431 3.067 40 0 DGABMO CNc1cccc([C@@H]2C[N@@H+](Cc3sccc3C)CCO2)n1 ZINC000257240627 432423512 /nfs/dbraw/zinc/42/35/12/432423512.db2.gz HUJYUFYSWIETPT-AWEZNQCLSA-N 1 1 303.431 3.067 40 0 DGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225727750 432696225 /nfs/dbraw/zinc/69/62/25/432696225.db2.gz PUGLPAVARNALLA-OKILXGFUSA-N 1 1 323.481 3.480 40 0 DGABMO C[C@H]1Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328956477 434332273 /nfs/dbraw/zinc/33/22/73/434332273.db2.gz AGHXSWRMUPKNRQ-ZDUSSCGKSA-N 1 1 320.440 3.880 40 0 DGABMO CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328970373 434336158 /nfs/dbraw/zinc/33/61/58/434336158.db2.gz DKICPMNSBWGKSI-GFCCVEGCSA-N 1 1 324.428 3.012 40 0 DGABMO CNc1cc(N2CCc3cc(OC)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329007573 434338780 /nfs/dbraw/zinc/33/87/80/434338780.db2.gz LKWLEQVHEYKSAO-UHFFFAOYSA-N 1 1 312.417 3.213 40 0 DGABMO CCNc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 ZINC000329066878 434355633 /nfs/dbraw/zinc/35/56/33/434355633.db2.gz YDVLDYROCYSLGI-CYBMUJFWSA-N 1 1 308.429 3.737 40 0 DGABMO CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100642 547024752 /nfs/dbraw/zinc/02/47/52/547024752.db2.gz RKOWQUCUQMNJBB-FQEVSTJZSA-N 1 1 312.457 3.152 40 0 DGABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100489 547024859 /nfs/dbraw/zinc/02/48/59/547024859.db2.gz LFXAFCKPDJBALY-QGZVFWFLSA-N 1 1 321.490 3.290 40 0 DGABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1CCF ZINC000585100025 547024873 /nfs/dbraw/zinc/02/48/73/547024873.db2.gz CMUHPNIGYHKJDI-SFHVURJKSA-N 1 1 310.457 3.383 40 0 DGABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)C1CCC1 ZINC000027698458 656397038 /nfs/dbraw/zinc/39/70/38/656397038.db2.gz JVGCEKQOWXTKBF-YQQQUEKLSA-N 1 1 312.457 3.141 40 0 DGABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203777 191075782 /nfs/dbraw/zinc/07/57/82/191075782.db2.gz RJJBZKVBRLYUMB-LSDHHAIUSA-N 1 1 319.449 3.379 40 0 DGABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355532 191130323 /nfs/dbraw/zinc/13/03/23/191130323.db2.gz MSHQVZGRKMRHIR-OAHLLOKOSA-N 1 1 313.449 3.374 40 0 DGABMO C[N@H+]1CCC[C@@H](c2cnc(NCc3cccc(F)c3)cn2)C1 ZINC000072365088 191134697 /nfs/dbraw/zinc/13/46/97/191134697.db2.gz DVORBGXVFQCSKA-CQSZACIVSA-N 1 1 300.381 3.037 40 0 DGABMO Cn1ccnc1C[N@H+]1CC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072368076 191136286 /nfs/dbraw/zinc/13/62/86/191136286.db2.gz BZTWMVPVOKDBMO-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3C(C)C)n2)n1 ZINC000072376224 191139580 /nfs/dbraw/zinc/13/95/80/191139580.db2.gz PXPTVGQDISUUTP-OAHLLOKOSA-N 1 1 312.421 3.172 40 0 DGABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072369935 191139606 /nfs/dbraw/zinc/13/96/06/191139606.db2.gz FMXKRAWFBGNUCN-MRXNPFEDSA-N 1 1 320.396 3.430 40 0 DGABMO Cc1cnc(Nc2cc([C@@H]3CC[N@H+]3C(C)C)nc(C)n2)s1 ZINC000072384621 191143959 /nfs/dbraw/zinc/14/39/59/191143959.db2.gz DYDIWCLOCCTALO-ZDUSSCGKSA-N 1 1 303.435 3.449 40 0 DGABMO Cc1cnc(Nc2cc([C@@H]3CC[N@@H+]3C(C)C)nc(C)n2)s1 ZINC000072384621 191143962 /nfs/dbraw/zinc/14/39/62/191143962.db2.gz DYDIWCLOCCTALO-ZDUSSCGKSA-N 1 1 303.435 3.449 40 0 DGABMO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072384612 191144203 /nfs/dbraw/zinc/14/42/03/191144203.db2.gz ZUROBLSNLLCEIK-CQSZACIVSA-N 1 1 312.421 3.172 40 0 DGABMO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072384612 191144206 /nfs/dbraw/zinc/14/42/06/191144206.db2.gz ZUROBLSNLLCEIK-CQSZACIVSA-N 1 1 312.421 3.172 40 0 DGABMO c1cnc2[nH]c(C3CC3)c(CN3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000072393362 191149521 /nfs/dbraw/zinc/14/95/21/191149521.db2.gz YDDXBZPYKLEQPH-OAHLLOKOSA-N 1 1 310.445 3.110 40 0 DGABMO Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000107249649 432029135 /nfs/dbraw/zinc/02/91/35/432029135.db2.gz NBHPFSUAVZIGRN-PKOBYXMFSA-N 1 1 321.424 3.343 40 0 DGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107731377 432038850 /nfs/dbraw/zinc/03/88/50/432038850.db2.gz VVCOFBDMQNUGCT-WBVHZDCISA-N 1 1 317.458 3.249 40 0 DGABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107798577 432040182 /nfs/dbraw/zinc/04/01/82/432040182.db2.gz NCQOZIOIVVPREH-FUHWJXTLSA-N 1 1 307.397 3.035 40 0 DGABMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000006500838 181346802 /nfs/dbraw/zinc/34/68/02/181346802.db2.gz IVCXCGOXNLBOKU-IBGZPJMESA-N 1 1 311.425 3.101 40 0 DGABMO Cc1ccccc1CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257310142 203034992 /nfs/dbraw/zinc/03/49/92/203034992.db2.gz UDVMGAODCFWCPS-LJQANCHMSA-N 1 1 323.440 3.429 40 0 DGABMO CN(C)Cc1ccnc([C@@H]2CCC[N@H+]2C2CCCCCC2)n1 ZINC000257309594 203035191 /nfs/dbraw/zinc/03/51/91/203035191.db2.gz UBNGBKFGVSBJFH-KRWDZBQOSA-N 1 1 302.466 3.398 40 0 DGABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257294108 203019044 /nfs/dbraw/zinc/01/90/44/203019044.db2.gz QSMCMTHDQQBHFG-QGZVFWFLSA-N 1 1 307.401 3.337 40 0 DGABMO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1O ZINC000019291067 182113440 /nfs/dbraw/zinc/11/34/40/182113440.db2.gz DSKOUAAKAHRFDP-MRXNPFEDSA-N 1 1 315.417 3.252 40 0 DGABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1O ZINC000019291067 182113441 /nfs/dbraw/zinc/11/34/41/182113441.db2.gz DSKOUAAKAHRFDP-MRXNPFEDSA-N 1 1 315.417 3.252 40 0 DGABMO c1cnc(-c2nnc([C@H]3CCC[N@@H+]3CC3CCCCC3)o2)cn1 ZINC000019403868 182121857 /nfs/dbraw/zinc/12/18/57/182121857.db2.gz XXBAKYDBKFBRMJ-OAHLLOKOSA-N 1 1 313.405 3.244 40 0 DGABMO CCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019498867 182125690 /nfs/dbraw/zinc/12/56/90/182125690.db2.gz CHLCDXZFVUKRQT-SCTDSRPQSA-N 1 1 318.436 3.405 40 0 DGABMO CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019498869 182126153 /nfs/dbraw/zinc/12/61/53/182126153.db2.gz XTALPJMFSLEXPA-ZHALLVOQSA-N 1 1 300.446 3.265 40 0 DGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 ZINC000019527159 182128515 /nfs/dbraw/zinc/12/85/15/182128515.db2.gz ZOWGRWZPCTZBBJ-HXUWFJFHSA-N 1 1 324.472 3.272 40 0 DGABMO COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCOCC2)cc1 ZINC000019557827 182130372 /nfs/dbraw/zinc/13/03/72/182130372.db2.gz POBWKRJHJJZAEB-UHFFFAOYSA-N 1 1 323.396 3.071 40 0 DGABMO Cc1cc(C)c2c(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n[nH]c2n1 ZINC000019657292 182135541 /nfs/dbraw/zinc/13/55/41/182135541.db2.gz CVWGGTHKBKDURY-INIZCTEOSA-N 1 1 321.428 3.261 40 0 DGABMO Cc1cc(C)c2c(n[nH]c2N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000019657292 182135542 /nfs/dbraw/zinc/13/55/42/182135542.db2.gz CVWGGTHKBKDURY-INIZCTEOSA-N 1 1 321.428 3.261 40 0 DGABMO Cc1cc(C)c2c(n[nH]c2N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000019657292 182135544 /nfs/dbraw/zinc/13/55/44/182135544.db2.gz CVWGGTHKBKDURY-INIZCTEOSA-N 1 1 321.428 3.261 40 0 DGABMO COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1 ZINC000019593672 182133282 /nfs/dbraw/zinc/13/32/82/182133282.db2.gz WNDZPERPKXUNAX-OXJNMPFZSA-N 1 1 324.424 3.369 40 0 DGABMO CCn1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c1C ZINC000028243282 182515724 /nfs/dbraw/zinc/51/57/24/182515724.db2.gz HCHMKAUQXZCIBE-UHFFFAOYSA-N 1 1 323.400 3.266 40 0 DGABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832932 183010930 /nfs/dbraw/zinc/01/09/30/183010930.db2.gz AFKMWXGXCLHLOQ-FQEVSTJZSA-N 1 1 322.452 3.258 40 0 DGABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080794 183394029 /nfs/dbraw/zinc/39/40/29/183394029.db2.gz JMMNMIWRNGHKBC-OAHLLOKOSA-N 1 1 305.491 3.403 40 0 DGABMO CC[NH+]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000044595879 183426440 /nfs/dbraw/zinc/42/64/40/183426440.db2.gz RYRZCVYEMSEHOP-UHFFFAOYSA-N 1 1 315.244 3.090 40 0 DGABMO C[N@@H+]1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1 ZINC000105134929 194078072 /nfs/dbraw/zinc/07/80/72/194078072.db2.gz RQPYPJAUMAPCDD-QGZVFWFLSA-N 1 1 303.450 3.029 40 0 DGABMO Cc1c(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cnn1C ZINC000057811144 184055591 /nfs/dbraw/zinc/05/55/91/184055591.db2.gz IAKWMBRMNBVGCZ-GOSISDBHSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1c(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cnn1C ZINC000057811144 184055592 /nfs/dbraw/zinc/05/55/92/184055592.db2.gz IAKWMBRMNBVGCZ-GOSISDBHSA-N 1 1 317.408 3.049 40 0 DGABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)cc1 ZINC000072228084 257121425 /nfs/dbraw/zinc/12/14/25/257121425.db2.gz DWEZHNPWWDMAAM-HZPDHXFCSA-N 1 1 316.788 3.154 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000072227970 257122532 /nfs/dbraw/zinc/12/25/32/257122532.db2.gz CCUIYCTZMBUXPJ-UONOGXRCSA-N 1 1 307.180 3.409 40 0 DGABMO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072219629 257124487 /nfs/dbraw/zinc/12/44/87/257124487.db2.gz HZWYXXVMIJRDQH-QGZVFWFLSA-N 1 1 303.450 3.020 40 0 DGABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072218688 257124556 /nfs/dbraw/zinc/12/45/56/257124556.db2.gz RKAONRHFZFNWLY-QGZVFWFLSA-N 1 1 309.413 3.433 40 0 DGABMO Cc1cccc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000238950375 257213165 /nfs/dbraw/zinc/21/31/65/257213165.db2.gz WVOGJFTUZBTRMU-HXUWFJFHSA-N 1 1 320.436 3.268 40 0 DGABMO O=C(c1cccc(F)c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238852245 257213498 /nfs/dbraw/zinc/21/34/98/257213498.db2.gz JOIIEZKZAIBFON-LJQANCHMSA-N 1 1 324.399 3.099 40 0 DGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc2ncccc21 ZINC000019712143 400185956 /nfs/dbraw/zinc/18/59/56/400185956.db2.gz QGRJICRPMQZYSB-RBUKOAKNSA-N 1 1 323.440 3.324 40 0 DGABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1nccc2ccccc21 ZINC000257274539 277070791 /nfs/dbraw/zinc/07/07/91/277070791.db2.gz NLMLFBSEYSOVDD-PXNSSMCTSA-N 1 1 323.440 3.324 40 0 DGABMO CC(C)[C@](CC[N@H+]1CCCC1(C)C)(C(N)=O)c1ccccc1 ZINC000001655400 431232363 /nfs/dbraw/zinc/23/23/63/431232363.db2.gz LIKKWSOVYMHVCH-IBGZPJMESA-N 1 1 302.462 3.330 40 0 DGABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000012219882 431496132 /nfs/dbraw/zinc/49/61/32/431496132.db2.gz WWQKBIWAJIGZDD-CYBMUJFWSA-N 1 1 301.434 3.065 40 0 DGABMO O=C1N[C@@]2(CC[N@@H+](CC3CCCCC3)C2)CCc2ccccc21 ZINC000019375224 431619848 /nfs/dbraw/zinc/61/98/48/431619848.db2.gz WJROMKHAXIPRGI-HXUWFJFHSA-N 1 1 312.457 3.387 40 0 DGABMO Cc1cc(NC(=O)[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000082336170 431804175 /nfs/dbraw/zinc/80/41/75/431804175.db2.gz ARHAVZRSFSXCLQ-NSHDSACASA-N 1 1 311.223 3.038 40 0 DGABMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000082336169 431804932 /nfs/dbraw/zinc/80/49/32/431804932.db2.gz ARHAVZRSFSXCLQ-LLVKDONJSA-N 1 1 311.223 3.038 40 0 DGABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000095533663 431926095 /nfs/dbraw/zinc/92/60/95/431926095.db2.gz FGBALOPNCKLHHU-CQSZACIVSA-N 1 1 314.776 3.182 40 0 DGABMO [NH3+][C@H](c1nc(-c2ccccc2F)n[nH]1)c1ccc(Cl)cc1 ZINC000095533995 431926537 /nfs/dbraw/zinc/92/65/37/431926537.db2.gz KVSBNQKQNTUDDK-ZDUSSCGKSA-N 1 1 302.740 3.312 40 0 DGABMO COc1ccc(C[N@@H+]2Cc3cc4c(cc3[C@H](O)C2)CCC4)cc1 ZINC000095470457 431926675 /nfs/dbraw/zinc/92/66/75/431926675.db2.gz BMPYXBWTVXCMFX-HXUWFJFHSA-N 1 1 309.409 3.233 40 0 DGABMO c1cncc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CCC2)C3)c1 ZINC000096040151 431934779 /nfs/dbraw/zinc/93/47/79/431934779.db2.gz ZBFGURHVZVHBQB-RBUKOAKNSA-N 1 1 316.445 3.022 40 0 DGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096047029 431934867 /nfs/dbraw/zinc/93/48/67/431934867.db2.gz NUJKJYXWPORSIH-QGZVFWFLSA-N 1 1 304.459 3.086 40 0 DGABMO CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096047500 431935009 /nfs/dbraw/zinc/93/50/09/431935009.db2.gz WBJJLSPIWNQYGC-GOSISDBHSA-N 1 1 304.409 3.193 40 0 DGABMO c1csc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047144 431936022 /nfs/dbraw/zinc/93/60/22/431936022.db2.gz GYKZWRDUHCVUNX-KRWDZBQOSA-N 1 1 314.458 3.031 40 0 DGABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccsc2)c1 ZINC000096055348 431936638 /nfs/dbraw/zinc/93/66/38/431936638.db2.gz SARPCIGFHPLUPT-YESZJQIVSA-N 1 1 302.443 3.229 40 0 DGABMO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccsc2)c1 ZINC000096055348 431936640 /nfs/dbraw/zinc/93/66/40/431936640.db2.gz SARPCIGFHPLUPT-YESZJQIVSA-N 1 1 302.443 3.229 40 0 DGABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000096065746 431936934 /nfs/dbraw/zinc/93/69/34/431936934.db2.gz JCLFUEFPJKWIEH-IPMKNSEASA-N 1 1 312.413 3.003 40 0 DGABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000096065746 431936937 /nfs/dbraw/zinc/93/69/37/431936937.db2.gz JCLFUEFPJKWIEH-IPMKNSEASA-N 1 1 312.413 3.003 40 0 DGABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000096058445 431937139 /nfs/dbraw/zinc/93/71/39/431937139.db2.gz PETNXQAXLXPEDC-VQTJNVASSA-N 1 1 324.424 3.044 40 0 DGABMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000096057355 431937283 /nfs/dbraw/zinc/93/72/83/431937283.db2.gz HFTOFNUXXXQSAF-OAGGEKHMSA-N 1 1 317.364 3.012 40 0 DGABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3ccc(OC)cc3)C2)o1 ZINC000049170267 431937384 /nfs/dbraw/zinc/93/73/84/431937384.db2.gz OHOCCLAHNQHKJC-AWEZNQCLSA-N 1 1 301.390 3.020 40 0 biogenic,in-vitro DGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169706 431937543 /nfs/dbraw/zinc/93/75/43/431937543.db2.gz ATRQEGREZCUSLZ-KRWDZBQOSA-N 1 1 320.396 3.430 40 0 biogenic,in-vitro DGABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1=O ZINC000096100297 431937584 /nfs/dbraw/zinc/93/75/84/431937584.db2.gz LZQLLFRNPORNGT-FQEVSTJZSA-N 1 1 324.424 3.426 40 0 DGABMO Cc1ccc(CN2CC[C@@]3(c4ccccc4)CC[N@H+](C)[C@@H]3C2)o1 ZINC000096100378 431938045 /nfs/dbraw/zinc/93/80/45/431938045.db2.gz 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c1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389883 191148554 /nfs/dbraw/zinc/14/85/54/191148554.db2.gz DYZBXRBNBWHJHW-INIZCTEOSA-N 1 1 306.369 3.121 40 0 DGABMO c1cc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395177 191149905 /nfs/dbraw/zinc/14/99/05/191149905.db2.gz YLIRRMZAUXGBQE-ZWKOTPCHSA-N 1 1 304.397 3.188 40 0 DGABMO Cc1c[nH]c([C@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257295426 203021497 /nfs/dbraw/zinc/02/14/97/203021497.db2.gz QYGDQTOUPFGQKV-GOSISDBHSA-N 1 1 307.397 3.445 40 0 DGABMO Cc1c[nH]c([C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)n1 ZINC000257295426 203021501 /nfs/dbraw/zinc/02/15/01/203021501.db2.gz QYGDQTOUPFGQKV-GOSISDBHSA-N 1 1 307.397 3.445 40 0 DGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000257298327 203023914 /nfs/dbraw/zinc/02/39/14/203023914.db2.gz RLFONUWYJHALKW-DEYWJSPQSA-N 1 1 323.440 3.255 40 0 DGABMO CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)cn1 ZINC000257279911 203007919 /nfs/dbraw/zinc/00/79/19/203007919.db2.gz OIQXUPMATDKYNR-QGZVFWFLSA-N 1 1 324.432 3.063 40 0 DGABMO CCCn1cc(C[N@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)cn1 ZINC000257279911 203007921 /nfs/dbraw/zinc/00/79/21/203007921.db2.gz OIQXUPMATDKYNR-QGZVFWFLSA-N 1 1 324.432 3.063 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257293641 203018191 /nfs/dbraw/zinc/01/81/91/203018191.db2.gz QQNASELKMJNESL-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257293641 203018194 /nfs/dbraw/zinc/01/81/94/203018194.db2.gz QQNASELKMJNESL-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257293641 203018197 /nfs/dbraw/zinc/01/81/97/203018197.db2.gz QQNASELKMJNESL-OAHLLOKOSA-N 1 1 306.413 3.413 40 0 DGABMO CCn1nccc1-c1nccnc1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000257313420 203039069 /nfs/dbraw/zinc/03/90/69/203039069.db2.gz USHOMAFZYZMAHU-OAHLLOKOSA-N 1 1 313.449 3.023 40 0 DGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257316468 203040393 /nfs/dbraw/zinc/04/03/93/203040393.db2.gz VFTCQWSQHMEZGM-SFHVURJKSA-N 1 1 322.456 3.375 40 0 DGABMO c1ccc(CO[C@@H]2C[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)cc1 ZINC000257317905 203043271 /nfs/dbraw/zinc/04/32/71/203043271.db2.gz VLQPEIDBVNHXGS-DZFIZOCASA-N 1 1 301.430 3.093 40 0 DGABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674075 182011709 /nfs/dbraw/zinc/01/17/09/182011709.db2.gz IROPUKCGJODFNW-SJORKVTESA-N 1 1 321.380 3.045 40 0 biogenic,in-vitro DGABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674075 182011710 /nfs/dbraw/zinc/01/17/10/182011710.db2.gz IROPUKCGJODFNW-SJORKVTESA-N 1 1 321.380 3.045 40 0 biogenic,in-vitro DGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019289492 182112822 /nfs/dbraw/zinc/11/28/22/182112822.db2.gz PMXFPJSMHSGDCN-OAHLLOKOSA-N 1 1 324.403 3.487 40 0 DGABMO CCN(CC)CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019366521 182118615 /nfs/dbraw/zinc/11/86/15/182118615.db2.gz ZMCDSBQGSSIJLF-VQTJNVASSA-N 1 1 312.457 3.393 40 0 DGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccco3)cc2)C1 ZINC000020107420 182187658 /nfs/dbraw/zinc/18/76/58/182187658.db2.gz IHTFROIACGJGCT-OAHLLOKOSA-N 1 1 312.413 3.442 40 0 DGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000038832802 183010922 /nfs/dbraw/zinc/01/09/22/183010922.db2.gz TZZZNUMDSHNDRP-UHFFFAOYSA-N 1 1 305.381 3.170 40 0 DGABMO Cc1c(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cnn1C ZINC000057811139 184055495 /nfs/dbraw/zinc/05/54/95/184055495.db2.gz IAKWMBRMNBVGCZ-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1c(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cnn1C ZINC000057811139 184055497 /nfs/dbraw/zinc/05/54/97/184055497.db2.gz IAKWMBRMNBVGCZ-SFHVURJKSA-N 1 1 317.408 3.049 40 0 DGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227486 257122652 /nfs/dbraw/zinc/12/26/52/257122652.db2.gz FYNFMFOMPCYPJZ-LSDHHAIUSA-N 1 1 320.314 3.429 40 0 DGABMO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072219423 257124050 /nfs/dbraw/zinc/12/40/50/257124050.db2.gz AIRKICCXRFMXAI-GOSISDBHSA-N 1 1 317.477 3.410 40 0 DGABMO COc1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000004968562 278004392 /nfs/dbraw/zinc/00/43/92/278004392.db2.gz DMJYYQTZLQINCO-UHFFFAOYSA-N 1 1 319.430 3.119 40 0 DGABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2ccccc2)C2(C1)CCCCC2 ZINC000257261902 279043811 /nfs/dbraw/zinc/04/38/11/279043811.db2.gz LJFYRGNUJFDBPM-SFHVURJKSA-N 1 1 314.473 3.485 40 0 DGABMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000068593190 431134705 /nfs/dbraw/zinc/13/47/05/431134705.db2.gz XCMHWWZDAXHISG-ZBFHGGJFSA-N 1 1 304.434 3.422 40 0 DGABMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000068593204 431134958 /nfs/dbraw/zinc/13/49/58/431134958.db2.gz XCMHWWZDAXHISG-GOEBONIOSA-N 1 1 304.434 3.422 40 0 DGABMO c1cnc(Nc2nccnc2[C@H]2CCC[N@H+]2C2CCCC2)nc1 ZINC000072363428 431337086 /nfs/dbraw/zinc/33/70/86/431337086.db2.gz CKTCISJCGWOTGW-CQSZACIVSA-N 1 1 310.405 3.090 40 0 DGABMO c1cnc(Nc2nccnc2[C@H]2CCC[N@@H+]2C2CCCC2)nc1 ZINC000072363428 431337092 /nfs/dbraw/zinc/33/70/92/431337092.db2.gz CKTCISJCGWOTGW-CQSZACIVSA-N 1 1 310.405 3.090 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000012115736 431490934 /nfs/dbraw/zinc/49/09/34/431490934.db2.gz NESMGWJEJUYHGW-KRWDZBQOSA-N 1 1 319.412 3.246 40 0 DGABMO c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000012115736 431490940 /nfs/dbraw/zinc/49/09/40/431490940.db2.gz NESMGWJEJUYHGW-KRWDZBQOSA-N 1 1 319.412 3.246 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)cc1 ZINC000012115736 431490947 /nfs/dbraw/zinc/49/09/47/431490947.db2.gz NESMGWJEJUYHGW-KRWDZBQOSA-N 1 1 319.412 3.246 40 0 DGABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](C4CCCCC4)C[C@@H]32)nc1 ZINC000012223243 431497885 /nfs/dbraw/zinc/49/78/85/431497885.db2.gz GFKQUFPCFQIKBO-HHXXYDBFSA-N 1 1 300.446 3.252 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337385 431504740 /nfs/dbraw/zinc/50/47/40/431504740.db2.gz LMAXCHXFKRBXBQ-SFHVURJKSA-N 1 1 306.413 3.348 40 0 DGABMO Clc1ccc(C2(N3CCC([NH+]4CCOCC4)CC3)CC2)cc1 ZINC000019332801 431620212 /nfs/dbraw/zinc/62/02/12/431620212.db2.gz HMCSKNFMERKUSC-UHFFFAOYSA-N 1 1 320.864 3.126 40 0 DGABMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095080827 431921124 /nfs/dbraw/zinc/92/11/24/431921124.db2.gz XZRJUWDOUWQDRA-INIZCTEOSA-N 1 1 304.434 3.423 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 ZINC000096046155 431935065 /nfs/dbraw/zinc/93/50/65/431935065.db2.gz YYMDUOIGRXZJHW-DFQSSKMNSA-N 1 1 323.440 3.446 40 0 DGABMO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046082 431935369 /nfs/dbraw/zinc/93/53/69/431935369.db2.gz AGEWVOXYMUAWEX-RRFJBIMHSA-N 1 1 304.415 3.397 40 0 DGABMO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046082 431935372 /nfs/dbraw/zinc/93/53/72/431935372.db2.gz AGEWVOXYMUAWEX-RRFJBIMHSA-N 1 1 304.415 3.397 40 0 DGABMO c1csc(CN2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049470 431935490 /nfs/dbraw/zinc/93/54/90/431935490.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 1 1 320.502 3.073 40 0 DGABMO CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052419 431936468 /nfs/dbraw/zinc/93/64/68/431936468.db2.gz OKVUEGFWSLZMCD-HKUYNNGSSA-N 1 1 316.445 3.061 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)o1 ZINC000096057001 431937052 /nfs/dbraw/zinc/93/70/52/431937052.db2.gz CKHUCMLMMYHWJX-RTBURBONSA-N 1 1 319.445 3.386 40 0 DGABMO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)s1 ZINC000096061732 431937315 /nfs/dbraw/zinc/93/73/15/431937315.db2.gz FZTYRPGDUNLBME-MSOLQXFVSA-N 1 1 315.486 3.199 40 0 DGABMO Cc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccncc2)s1 ZINC000096061732 431937316 /nfs/dbraw/zinc/93/73/16/431937316.db2.gz FZTYRPGDUNLBME-MSOLQXFVSA-N 1 1 315.486 3.199 40 0 DGABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096080585 431937710 /nfs/dbraw/zinc/93/77/10/431937710.db2.gz NCQOZIOIVVPREH-WMZOPIPTSA-N 1 1 307.397 3.035 40 0 DGABMO c1csc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096109225 431938603 /nfs/dbraw/zinc/93/86/03/431938603.db2.gz JXOBUGXGQJXXNR-PBHICJAKSA-N 1 1 315.442 3.219 40 0 DGABMO c1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096109225 431938605 /nfs/dbraw/zinc/93/86/05/431938605.db2.gz JXOBUGXGQJXXNR-PBHICJAKSA-N 1 1 315.442 3.219 40 0 DGABMO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC000096107473 431939030 /nfs/dbraw/zinc/93/90/30/431939030.db2.gz HTDNSBDZVMJHSC-RDJZCZTQSA-N 1 1 307.459 3.298 40 0 DGABMO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 ZINC000096215289 431942857 /nfs/dbraw/zinc/94/28/57/431942857.db2.gz RDKZIIFTUFFKDX-SFHVURJKSA-N 1 1 320.502 3.261 40 0 DGABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)o1 ZINC000096255155 431944276 /nfs/dbraw/zinc/94/42/76/431944276.db2.gz KFWUNNNJNMAPIW-UHFFFAOYSA-N 1 1 309.369 3.239 40 0 DGABMO CC[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000248215369 432276119 /nfs/dbraw/zinc/27/61/19/432276119.db2.gz FZCHYRPQSNRAQW-KSSFIOAISA-N 1 1 304.409 3.049 40 0 DGABMO CCn1ncc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C ZINC000057810975 431994084 /nfs/dbraw/zinc/99/40/84/431994084.db2.gz UTDXRCOBSQWBFH-IBGZPJMESA-N 1 1 313.445 3.393 40 0 DGABMO Cc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000260798237 432428020 /nfs/dbraw/zinc/42/80/20/432428020.db2.gz QMRLFIRUHNYJSB-INIZCTEOSA-N 1 1 316.489 3.474 40 0 DGABMO Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000260803027 432428967 /nfs/dbraw/zinc/42/89/67/432428967.db2.gz XNYJXWRXISONGV-AWEZNQCLSA-N 1 1 302.462 3.464 40 0 DGABMO CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000256049898 432414836 /nfs/dbraw/zinc/41/48/36/432414836.db2.gz BXLQYRPWOKTIHG-UHFFFAOYSA-N 1 1 313.323 3.127 40 0 DGABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257221005 432417711 /nfs/dbraw/zinc/41/77/11/432417711.db2.gz DNDSRJARPXAFTJ-KRWDZBQOSA-N 1 1 307.401 3.337 40 0 DGABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216032 432418676 /nfs/dbraw/zinc/41/86/76/432418676.db2.gz CSURNDWXUXWRNY-AWEZNQCLSA-N 1 1 324.403 3.487 40 0 DGABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]12 ZINC000257206060 432419034 /nfs/dbraw/zinc/41/90/34/432419034.db2.gz BBQFFIUGNIWJOF-HHXXYDBFSA-N 1 1 309.413 3.074 40 0 DGABMO c1cc2cc(C[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249922 432422032 /nfs/dbraw/zinc/42/20/32/432422032.db2.gz JKGLACITLSPLQA-HNNXBMFYSA-N 1 1 306.413 3.413 40 0 DGABMO c1cc([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244095 432422471 /nfs/dbraw/zinc/42/24/71/432422471.db2.gz IJVDBKVBCNSQBX-INIZCTEOSA-N 1 1 310.445 3.390 40 0 DGABMO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257244095 432422474 /nfs/dbraw/zinc/42/24/74/432422474.db2.gz IJVDBKVBCNSQBX-INIZCTEOSA-N 1 1 310.445 3.390 40 0 DGABMO c1cc([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257244095 432422477 /nfs/dbraw/zinc/42/24/77/432422477.db2.gz IJVDBKVBCNSQBX-INIZCTEOSA-N 1 1 310.445 3.390 40 0 DGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244096 432423182 /nfs/dbraw/zinc/42/31/82/432423182.db2.gz IJVDBKVBCNSQBX-MRXNPFEDSA-N 1 1 310.445 3.390 40 0 DGABMO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257244096 432423185 /nfs/dbraw/zinc/42/31/85/432423185.db2.gz IJVDBKVBCNSQBX-MRXNPFEDSA-N 1 1 310.445 3.390 40 0 DGABMO c1cc([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH]n1 ZINC000257244096 432423189 /nfs/dbraw/zinc/42/31/89/432423189.db2.gz IJVDBKVBCNSQBX-MRXNPFEDSA-N 1 1 310.445 3.390 40 0 DGABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257268303 432424929 /nfs/dbraw/zinc/42/49/29/432424929.db2.gz MLBGQCPNPWDLFH-LBPRGKRZSA-N 1 1 313.430 3.159 40 0 DGABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257260312 432425263 /nfs/dbraw/zinc/42/52/63/432425263.db2.gz LCHDOCNWINRCCQ-ZDUSSCGKSA-N 1 1 315.446 3.115 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MOKQTTLBOLQSQZ-CJNGLKHVSA-N 1 1 319.424 3.456 40 0 biogenic,in-vitro DGABMO Cc1ccc2nc(CO[C@H]3C[N@H+](CC(C)(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112309 431938791 /nfs/dbraw/zinc/93/87/91/431938791.db2.gz MOKQTTLBOLQSQZ-CJNGLKHVSA-N 1 1 319.424 3.456 40 0 biogenic,in-vitro DGABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](CC(C)(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112309 431938793 /nfs/dbraw/zinc/93/87/93/431938793.db2.gz MOKQTTLBOLQSQZ-CJNGLKHVSA-N 1 1 319.424 3.456 40 0 biogenic,in-vitro DGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096107489 431938943 /nfs/dbraw/zinc/93/89/43/431938943.db2.gz UZTNJFMVYIAJIE-RDJZCZTQSA-N 1 1 322.474 3.002 40 0 DGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)o1 ZINC000096215949 431942783 /nfs/dbraw/zinc/94/27/83/431942783.db2.gz IREGMEBPWVZQML-LJQANCHMSA-N 1 1 316.445 3.203 40 0 DGABMO c1ccc(N[C@H]2CCO[C@]3(CC[N@H+](C4CCCC4)C3)C2)nc1 ZINC000096207827 431942968 /nfs/dbraw/zinc/94/29/68/431942968.db2.gz WOAQSLUXIDPQIJ-MAUKXSAKSA-N 1 1 301.434 3.060 40 0 DGABMO Cc1ccc(N2CCC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)nn1 ZINC000096217108 431943208 /nfs/dbraw/zinc/94/32/08/431943208.db2.gz GJQOQVVROIWNSA-LJQANCHMSA-N 1 1 314.477 3.268 40 0 DGABMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(C)c3C2)cc1 ZINC000096253826 431943502 /nfs/dbraw/zinc/94/35/02/431943502.db2.gz KIKLHYJZNUTJOX-UHFFFAOYSA-N 1 1 322.456 3.252 40 0 DGABMO Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(C)c3C2)cc1 ZINC000096253826 431943505 /nfs/dbraw/zinc/94/35/05/431943505.db2.gz KIKLHYJZNUTJOX-UHFFFAOYSA-N 1 1 322.456 3.252 40 0 DGABMO c1cc(COCC[C@H]2CCOC3(C[NH+](C4CCC4)C3)C2)ccn1 ZINC000253588616 432400434 /nfs/dbraw/zinc/40/04/34/432400434.db2.gz KJCHUUQXPLKUNX-INIZCTEOSA-N 1 1 316.445 3.022 40 0 DGABMO c1cc2n(c1)C[C@@H](OCc1cccnc1)C[N@@H+](C1CCCC1)C2 ZINC000253588933 432400793 /nfs/dbraw/zinc/40/07/93/432400793.db2.gz ZKRNZIKJTSAMGS-LJQANCHMSA-N 1 1 311.429 3.227 40 0 DGABMO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@H+](CC1CCC1)C2 ZINC000253588395 432400996 /nfs/dbraw/zinc/40/09/96/432400996.db2.gz BBAVJVKNQBTLGJ-IBGZPJMESA-N 1 1 311.429 3.084 40 0 DGABMO Cc1ncc(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205929 432417623 /nfs/dbraw/zinc/41/76/23/432417623.db2.gz BBCIDNGCUJANCV-OAHLLOKOSA-N 1 1 313.449 3.082 40 0 DGABMO CC(C)n1nccc1-c1cnc(C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257232369 432420953 /nfs/dbraw/zinc/42/09/53/432420953.db2.gz GKOVROSEIOFQCB-HNNXBMFYSA-N 1 1 313.449 3.194 40 0 DGABMO Cc1cccnc1C[N@H+]1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257239996 432421837 /nfs/dbraw/zinc/42/18/37/432421837.db2.gz HRQWTMMOUQOVPB-QGZVFWFLSA-N 1 1 307.401 3.160 40 0 DGABMO Cc1nc(Nc2nccs2)cc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257250631 432422154 /nfs/dbraw/zinc/42/21/54/432422154.db2.gz JNJCEOVOFGZEFW-LBPRGKRZSA-N 1 1 303.435 3.183 40 0 DGABMO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccnc(N(C)C)c3)C2)cs1 ZINC000257254959 432422758 /nfs/dbraw/zinc/42/27/58/432422758.db2.gz KFMOHDQZSNKOMM-OAHLLOKOSA-N 1 1 316.474 3.292 40 0 DGABMO CNc1cccc([C@H]2C[N@H+](Cc3sccc3C)CCO2)n1 ZINC000257240628 432422962 /nfs/dbraw/zinc/42/29/62/432422962.db2.gz HUJYUFYSWIETPT-CQSZACIVSA-N 1 1 303.431 3.067 40 0 DGABMO CNc1cccc([C@H]2C[N@@H+](Cc3sccc3C)CCO2)n1 ZINC000257240628 432422966 /nfs/dbraw/zinc/42/29/66/432422966.db2.gz HUJYUFYSWIETPT-CQSZACIVSA-N 1 1 303.431 3.067 40 0 DGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257247153 432423148 /nfs/dbraw/zinc/42/31/48/432423148.db2.gz IXSNAKZCDLXYPK-HNNXBMFYSA-N 1 1 307.401 3.098 40 0 DGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000257257547 432423354 /nfs/dbraw/zinc/42/33/54/432423354.db2.gz KQBOSTPEZGAJCE-IBGZPJMESA-N 1 1 315.461 3.435 40 0 DGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225736358 432695965 /nfs/dbraw/zinc/69/59/65/432695965.db2.gz VQOCULDKMHEYTP-CYBMUJFWSA-N 1 1 309.454 3.234 40 0 DGABMO COc1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000225735689 432696652 /nfs/dbraw/zinc/69/66/52/432696652.db2.gz CHZIOKDGTTXSCT-CQSZACIVSA-N 1 1 321.490 3.104 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc(OC)c1 ZINC000225763070 432697050 /nfs/dbraw/zinc/69/70/50/432697050.db2.gz SNZVTMNIOSRQRU-INIZCTEOSA-N 1 1 319.449 3.471 40 0 DGABMO Cc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140227 534196419 /nfs/dbraw/zinc/19/64/19/534196419.db2.gz UNIZCVOBSDJNGN-ROUUACIJSA-N 1 1 307.441 3.373 40 0 DGABMO O=C1CC[C@]2(CCC[N@@H+](CCc3ccccc3)CC2)N1CCF ZINC000585100630 547025165 /nfs/dbraw/zinc/02/51/65/547025165.db2.gz QRZQGHYACNUBPA-IBGZPJMESA-N 1 1 318.436 3.046 40 0 DGABMO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000113037349 1199659100 /nfs/dbraw/zinc/65/91/00/1199659100.db2.gz QMQGMWPJTZZKGJ-BBWFWOEESA-N 1 1 316.445 3.422 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc(F)cc1 ZINC000143258955 186033648 /nfs/dbraw/zinc/03/36/48/186033648.db2.gz FOHCYKWPJZQTLG-UHFFFAOYSA-N 1 1 323.371 3.179 40 0 DGABMO Cc1csc(CCNc2ccc([C@@H]3CCC[N@@H+]3C)nc2)n1 ZINC000072365557 191134337 /nfs/dbraw/zinc/13/43/37/191134337.db2.gz BZAQAUSWTRIYTF-HNNXBMFYSA-N 1 1 302.447 3.268 40 0 DGABMO Cc1cc(Nc2ncccc2C)nc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000072382384 191142078 /nfs/dbraw/zinc/14/20/78/191142078.db2.gz PBKRMHRIGZXMGV-HNNXBMFYSA-N 1 1 311.433 3.430 40 0 DGABMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2C(C)(C)C)C[C@H](C)O1 ZINC000072393636 191148990 /nfs/dbraw/zinc/14/89/90/191148990.db2.gz LSQWDHBMIYNWHR-BETUJISGSA-N 1 1 301.434 3.470 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000067801159 432041562 /nfs/dbraw/zinc/04/15/62/432041562.db2.gz VMBMRJCGCMAPDV-CYBMUJFWSA-N 1 1 310.825 3.439 40 0 DGABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000067801159 432041565 /nfs/dbraw/zinc/04/15/65/432041565.db2.gz VMBMRJCGCMAPDV-CYBMUJFWSA-N 1 1 310.825 3.439 40 0 DGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000005771685 181282463 /nfs/dbraw/zinc/28/24/63/181282463.db2.gz ZZHFJTWJGFOXMO-CZUORRHYSA-N 1 1 306.837 3.334 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)c(C)c1 ZINC000222869352 201626768 /nfs/dbraw/zinc/62/67/68/201626768.db2.gz WROBZFGPCZEMLI-QGZVFWFLSA-N 1 1 318.461 3.388 40 0 DGABMO CC(=O)N1CC[N@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000257296962 203021573 /nfs/dbraw/zinc/02/15/73/203021573.db2.gz RFEXAPZJFAWQST-KRWDZBQOSA-N 1 1 300.427 3.154 40 0 DGABMO CC(=O)N1CC[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000257296962 203021577 /nfs/dbraw/zinc/02/15/77/203021577.db2.gz RFEXAPZJFAWQST-KRWDZBQOSA-N 1 1 300.427 3.154 40 0 DGABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257298663 203022303 /nfs/dbraw/zinc/02/23/03/203022303.db2.gz RMUOBRWSFXCXOG-QGZVFWFLSA-N 1 1 309.413 3.341 40 0 DGABMO Cc1cn(C)c([C@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257298663 203022306 /nfs/dbraw/zinc/02/23/06/203022306.db2.gz RMUOBRWSFXCXOG-QGZVFWFLSA-N 1 1 309.413 3.341 40 0 DGABMO CN(c1ccncn1)C1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000257301229 203025028 /nfs/dbraw/zinc/02/50/28/203025028.db2.gz RXNYMIJEBLDUNW-UHFFFAOYSA-N 1 1 314.458 3.029 40 0 DGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257310614 203034770 /nfs/dbraw/zinc/03/47/70/203034770.db2.gz UFWYMIDBFGHKRE-INIZCTEOSA-N 1 1 319.412 3.165 40 0 DGABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059997 193512330 /nfs/dbraw/zinc/51/23/30/193512330.db2.gz QGRTZCZNLAJJIB-QGZVFWFLSA-N 1 1 303.450 3.029 40 0 DGABMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016739466 182059496 /nfs/dbraw/zinc/05/94/96/182059496.db2.gz WKLGIIULCGMLEB-HLLBOEOZSA-N 1 1 319.445 3.282 40 0 DGABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019237180 182111035 /nfs/dbraw/zinc/11/10/35/182111035.db2.gz KWLSPJILJZGTKJ-OAHLLOKOSA-N 1 1 307.401 3.041 40 0 DGABMO CCOCCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020493041 182224108 /nfs/dbraw/zinc/22/41/08/182224108.db2.gz BFQNIOXUKSTTLD-INIZCTEOSA-N 1 1 318.461 3.075 40 0 DGABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(CC)cc2)cc1 ZINC000072228101 257121437 /nfs/dbraw/zinc/12/14/37/257121437.db2.gz GMIBBJHGJMBNKH-MSOLQXFVSA-N 1 1 310.397 3.063 40 0 DGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1C ZINC000072227863 257122317 /nfs/dbraw/zinc/12/23/17/257122317.db2.gz ZPDUVLYBGIBTJN-HOTGVXAUSA-N 1 1 300.789 3.372 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC000072227116 257122376 /nfs/dbraw/zinc/12/23/76/257122376.db2.gz VROHEIWMFYHSQD-NWDGAFQWSA-N 1 1 312.316 3.182 40 0 DGABMO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072219628 257124268 /nfs/dbraw/zinc/12/42/68/257124268.db2.gz HZWYXXVMIJRDQH-KRWDZBQOSA-N 1 1 303.450 3.020 40 0 DGABMO O=C(c1cccc(F)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238852244 257213665 /nfs/dbraw/zinc/21/36/65/257213665.db2.gz JOIIEZKZAIBFON-IBGZPJMESA-N 1 1 324.399 3.099 40 0 DGABMO C[N@H+]1CCCCC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000585102459 400125341 /nfs/dbraw/zinc/12/53/41/400125341.db2.gz SJYRLICDQWRLAU-VOTSOKGWSA-N 1 1 304.459 3.238 40 0 DGABMO O[C@]1(COc2ccccc2F)CCC[N@H+](C2CCCC2)CC1 ZINC000585281622 400130803 /nfs/dbraw/zinc/13/08/03/400130803.db2.gz NLLIPOXKYYBQBL-GOSISDBHSA-N 1 1 307.409 3.364 40 0 DGABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2CC1CC1 ZINC000019712709 400186521 /nfs/dbraw/zinc/18/65/21/400186521.db2.gz IJGPULUVUAQGIL-SCTDSRPQSA-N 1 1 316.420 3.062 40 0 DGABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044080792 400485040 /nfs/dbraw/zinc/48/50/40/400485040.db2.gz JMMNMIWRNGHKBC-HNNXBMFYSA-N 1 1 305.491 3.403 40 0 DGABMO N[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218868248 400952075 /nfs/dbraw/zinc/95/20/75/400952075.db2.gz RRNLSOSWIHMGHJ-MANSERQUSA-N 1 1 302.462 3.374 40 0 DGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000257241446 278125098 /nfs/dbraw/zinc/12/50/98/278125098.db2.gz HYBBTNURAWTHBO-SFHVURJKSA-N 1 1 301.434 3.187 40 0 DGABMO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000108531981 431147425 /nfs/dbraw/zinc/14/74/25/431147425.db2.gz PAPNJUCNURORGR-QAPCUYQASA-N 1 1 322.399 3.045 40 0 DGABMO c1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000072363429 431334342 /nfs/dbraw/zinc/33/43/42/431334342.db2.gz UMDCILGMALYYNB-HNNXBMFYSA-N 1 1 324.432 3.480 40 0 DGABMO c1cnc(Nc2nccnc2[C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000072363429 431334348 /nfs/dbraw/zinc/33/43/48/431334348.db2.gz UMDCILGMALYYNB-HNNXBMFYSA-N 1 1 324.432 3.480 40 0 DGABMO C[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000009876421 431446989 /nfs/dbraw/zinc/44/69/89/431446989.db2.gz JENDQUDNNUZUJU-JTQLQIEISA-N 1 1 315.845 3.107 40 0 DGABMO Cc1cccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000009876203 431447767 /nfs/dbraw/zinc/44/77/67/431447767.db2.gz NQWAJPSIGQGFEG-GFCCVEGCSA-N 1 1 311.882 3.277 40 0 DGABMO Cc1ccsc1C[N@@H+](Cc1nc2ccccc2[nH]1)C[C@H](C)O ZINC000012143702 431493566 /nfs/dbraw/zinc/49/35/66/431493566.db2.gz NUGSTOWWQBHDMZ-ZDUSSCGKSA-N 1 1 315.442 3.316 40 0 DGABMO Cc1ccsc1C[N@H+](Cc1nc2ccccc2[nH]1)C[C@H](C)O ZINC000012143702 431493574 /nfs/dbraw/zinc/49/35/74/431493574.db2.gz NUGSTOWWQBHDMZ-ZDUSSCGKSA-N 1 1 315.442 3.316 40 0 DGABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000012183920 431497780 /nfs/dbraw/zinc/49/77/80/431497780.db2.gz WQLWTTFVLMBDGE-ZDUSSCGKSA-N 1 1 314.410 3.493 40 0 DGABMO CSCC[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441188 431846977 /nfs/dbraw/zinc/84/69/77/431846977.db2.gz AADWMJJEQWQGQK-MRVPVSSYSA-N 1 1 300.225 3.078 40 0 DGABMO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530396 431847912 /nfs/dbraw/zinc/84/79/12/431847912.db2.gz CGTWDODYBVWANC-ZENOOKHLSA-N 1 1 311.853 3.366 40 0 DGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(C)cc2)cc1 ZINC000044883062 431878571 /nfs/dbraw/zinc/87/85/71/431878571.db2.gz RVCSSRQOTPXKGG-UHFFFAOYSA-N 1 1 319.408 3.348 40 0 DGABMO O=C1CCC[C@H]2[C@H](N1)[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951703 431927858 /nfs/dbraw/zinc/92/78/58/431927858.db2.gz MHLMBYWVPBTMRI-SVFBPWRDSA-N 1 1 320.436 3.323 40 0 biogenic DGABMO Fc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)c1 ZINC000096047572 431935615 /nfs/dbraw/zinc/93/56/15/431935615.db2.gz RUBPDDZDTSPLSD-SJLPKXTDSA-N 1 1 316.376 3.264 40 0 DGABMO c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046943 431935910 /nfs/dbraw/zinc/93/59/10/431935910.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 1 1 311.429 3.163 40 0 DGABMO c1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)co1 ZINC000096046943 431935912 /nfs/dbraw/zinc/93/59/12/431935912.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 1 1 311.429 3.163 40 0 DGABMO c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)co1 ZINC000096046943 431935915 /nfs/dbraw/zinc/93/59/15/431935915.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 1 1 311.429 3.163 40 0 DGABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccsc2)N1c1ccsc1 ZINC000096055726 431936315 /nfs/dbraw/zinc/93/63/15/431936315.db2.gz GMHWPHVOPDPUIX-UONOGXRCSA-N 1 1 304.440 3.189 40 0 DGABMO Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccs1)C2 ZINC000096058489 431936919 /nfs/dbraw/zinc/93/69/19/431936919.db2.gz HSVYZNUYWNRRNW-CABCVRRESA-N 1 1 317.458 3.059 40 0 DGABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)o1 ZINC000049169683 431937280 /nfs/dbraw/zinc/93/72/80/431937280.db2.gz ADMALIJLBZGECI-AWEZNQCLSA-N 1 1 310.357 3.023 40 0 biogenic,in-vitro DGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](CC(C)C)C2)o1 ZINC000049170022 431937364 /nfs/dbraw/zinc/93/73/64/431937364.db2.gz OIFNPRBOVNOIQA-ZDUSSCGKSA-N 1 1 301.390 3.191 40 0 biogenic,in-vitro DGABMO c1cncc(C[C@@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccncc2)c1 ZINC000096069939 431937419 /nfs/dbraw/zinc/93/74/19/431937419.db2.gz ZXUZRXSSSPLVJE-WOJBJXKFSA-N 1 1 323.440 3.089 40 0 DGABMO O=C(C1CC1)N1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000096075312 431938265 /nfs/dbraw/zinc/93/82/65/431938265.db2.gz LOCICKIWMOOPHG-UHFFFAOYSA-N 1 1 316.420 3.193 40 0 DGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccco3)CC[C@H]2OC)cc1 ZINC000096110231 431938449 /nfs/dbraw/zinc/93/84/49/431938449.db2.gz ZPOMTPPZFHFOCM-QFBILLFUSA-N 1 1 315.413 3.368 40 0 DGABMO CO[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110217 431938678 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Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096198008 431941624 /nfs/dbraw/zinc/94/16/24/431941624.db2.gz JWGPTMMFNZGUTF-OAHLLOKOSA-N 1 1 317.458 3.008 40 0 DGABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096198266 431942406 /nfs/dbraw/zinc/94/24/06/431942406.db2.gz LFNCHUOGYUMGLH-HNNXBMFYSA-N 1 1 317.458 3.008 40 0 DGABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096198266 431942408 /nfs/dbraw/zinc/94/24/08/431942408.db2.gz LFNCHUOGYUMGLH-HNNXBMFYSA-N 1 1 317.458 3.008 40 0 DGABMO CC(C)C[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1ccco1 ZINC000096252228 431944089 /nfs/dbraw/zinc/94/40/89/431944089.db2.gz XRAYRQKQHFJKDZ-BYICEURKSA-N 1 1 318.461 3.290 40 0 DGABMO c1coc(C[N@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c1 ZINC000096255334 431944104 /nfs/dbraw/zinc/94/41/04/431944104.db2.gz XPNFICUKOIWSQD-UHFFFAOYSA-N 1 1 311.410 3.399 40 0 DGABMO c1cnc2[nH]c(C3CC3)c(CN3CC[N@H+]4CCCC[C@H]4C3)c2c1 ZINC000253588891 432400210 /nfs/dbraw/zinc/40/02/10/432400210.db2.gz YDDXBZPYKLEQPH-HNNXBMFYSA-N 1 1 310.445 3.110 40 0 DGABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000257202238 432418104 /nfs/dbraw/zinc/41/81/04/432418104.db2.gz ALACQZCNEFRFFJ-OAHLLOKOSA-N 1 1 321.428 3.051 40 0 DGABMO Cc1cncc([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)n1 ZINC000257202238 432418107 /nfs/dbraw/zinc/41/81/07/432418107.db2.gz ALACQZCNEFRFFJ-OAHLLOKOSA-N 1 1 321.428 3.051 40 0 DGABMO CCn1cc(C[N@H+]2CCC[C@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214607 432419111 /nfs/dbraw/zinc/41/91/11/432419111.db2.gz CMPPTYRIABPXPX-QGZVFWFLSA-N 1 1 312.461 3.370 40 0 DGABMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257213732 432419171 /nfs/dbraw/zinc/41/91/71/432419171.db2.gz CIWOYYKIEIKQNS-CQSZACIVSA-N 1 1 303.381 3.245 40 0 DGABMO Cc1ccnc([C@@H]2CC[N@@H+](CCCOc3ccccc3F)C2)n1 ZINC000257226058 432421020 /nfs/dbraw/zinc/42/10/20/432421020.db2.gz FIYGJPRVOWQJNA-OAHLLOKOSA-N 1 1 315.392 3.183 40 0 DGABMO CC[N@H+]1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254530 432422249 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Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)nn1 ZINC000414366984 433573740 /nfs/dbraw/zinc/57/37/40/433573740.db2.gz DABCNAKHIHVKIB-UHFFFAOYSA-N 1 1 319.355 3.107 40 0 DGABMO Cc1ccc(-c2cnc3n2C[C@H]2C[N@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140228 434086692 /nfs/dbraw/zinc/08/66/92/434086692.db2.gz UNIZCVOBSDJNGN-ZWKOTPCHSA-N 1 1 307.441 3.373 40 0 DGABMO Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609885 434589241 /nfs/dbraw/zinc/58/92/41/434589241.db2.gz PHJZVVLKUSLFFT-FQEVSTJZSA-N 1 1 320.436 3.268 40 0 DGABMO CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CC[N@H+](C)C[C@@H]1CCO2 ZINC001534646423 1187912400 /nfs/dbraw/zinc/91/24/00/1187912400.db2.gz LEQZCTLHUMTDHI-HOTGVXAUSA-N 1 1 316.445 3.489 40 0 DGABMO Cc1cc2c(cc1C)C1=NCC[NH2+][C@@H]1[C@H](c1ccccc1)C2=O ZINC000067300082 1195617435 /nfs/dbraw/zinc/61/74/35/1195617435.db2.gz DNTHAEXKKZSWHX-PKOBYXMFSA-N 1 1 304.393 3.044 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ncccc1C ZINC000225584784 186280353 /nfs/dbraw/zinc/28/03/53/186280353.db2.gz VEGZQYUULOPQHU-OAHLLOKOSA-N 1 1 320.506 3.331 40 0 DGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccnc1 ZINC000225585071 186280447 /nfs/dbraw/zinc/28/04/47/186280447.db2.gz QOVGJKXGQKICOT-HNNXBMFYSA-N 1 1 306.479 3.023 40 0 DGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Br)cs1 ZINC000072324486 191122537 /nfs/dbraw/zinc/12/25/37/191122537.db2.gz LNGDNWLXNOTMMA-JQWIXIFHSA-N 1 1 315.280 3.179 40 0 DGABMO c1ccc(Cc2cncc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072355703 191130089 /nfs/dbraw/zinc/13/00/89/191130089.db2.gz YNQWYEFFDZOLES-HXUWFJFHSA-N 1 1 323.440 3.383 40 0 DGABMO Cc1cc(CCC(=O)Nc2cccnc2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360557 191131549 /nfs/dbraw/zinc/13/15/49/191131549.db2.gz LQHZODQUILMVMM-SFHVURJKSA-N 1 1 324.428 3.123 40 0 DGABMO Cc1cnc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257274093 203002842 /nfs/dbraw/zinc/00/28/42/203002842.db2.gz NJNGWOUJQRHZSW-MNZLEMJZSA-N 1 1 309.413 3.074 40 0 DGABMO C[N@@H+]1CCC[C@@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000257275825 203005049 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COc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccnc(=O)[nH]3)cc2c1 ZINC000257290735 203015085 /nfs/dbraw/zinc/01/50/85/203015085.db2.gz QECJPQOQKJLOON-KRWDZBQOSA-N 1 1 324.384 3.009 40 0 DGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccnc(=O)[nH]3)cc2c1 ZINC000257290735 203015088 /nfs/dbraw/zinc/01/50/88/203015088.db2.gz QECJPQOQKJLOON-KRWDZBQOSA-N 1 1 324.384 3.009 40 0 DGABMO Cc1cccnc1C[N@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289385 203015596 /nfs/dbraw/zinc/01/55/96/203015596.db2.gz PYJRJNOEIPOFNS-HNNXBMFYSA-N 1 1 307.401 3.041 40 0 DGABMO FC(F)(F)c1cccc(OCc2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000257317121 203041527 /nfs/dbraw/zinc/04/15/27/203041527.db2.gz VIMKHTSIIXNHTL-JTQLQIEISA-N 1 1 311.307 3.084 40 0 DGABMO c1c[nH]c(-c2nccnc2C[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000257317778 203043564 /nfs/dbraw/zinc/04/35/64/203043564.db2.gz VLBYRLCRGGPNGM-CQSZACIVSA-N 1 1 311.433 3.064 40 0 DGABMO Cc1csc(Nc2cc([C@H]3CC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257324811 203049781 /nfs/dbraw/zinc/04/97/81/203049781.db2.gz WQGYILAFOXRWSV-ZDUSSCGKSA-N 1 1 317.462 3.491 40 0 DGABMO c1ccc2c(c1)cccc2C[N@@H+]1CCO[C@H](c2cnccn2)C1 ZINC000257339110 203059575 /nfs/dbraw/zinc/05/95/75/203059575.db2.gz ZAGHMLNMOAKUOU-IBGZPJMESA-N 1 1 305.381 3.203 40 0 DGABMO c1ccc2c(c1)cccc2C[N@H+]1CCO[C@H](c2cnccn2)C1 ZINC000257339110 203059578 /nfs/dbraw/zinc/05/95/78/203059578.db2.gz ZAGHMLNMOAKUOU-IBGZPJMESA-N 1 1 305.381 3.203 40 0 DGABMO Fc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293785 182113476 /nfs/dbraw/zinc/11/34/76/182113476.db2.gz PDSMFJJFGNRRGH-OAHLLOKOSA-N 1 1 324.359 3.260 40 0 DGABMO O[C@]1(c2cccnc2)CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000019349051 182117933 /nfs/dbraw/zinc/11/79/33/182117933.db2.gz YBXMJCNAVGIPOM-GOSISDBHSA-N 1 1 300.377 3.094 40 0 DGABMO CCCn1c2ccccc2nc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000019526006 182128539 /nfs/dbraw/zinc/12/85/39/182128539.db2.gz XIXUFCARCVYXMU-HOTGVXAUSA-N 1 1 312.461 3.115 40 0 DGABMO COCCC[N@H+](Cc1ccccn1)Cc1ccc(F)cc1F ZINC000019593262 182132705 /nfs/dbraw/zinc/13/27/05/182132705.db2.gz UTPUBPOHMBUQSK-UHFFFAOYSA-N 1 1 306.356 3.399 40 0 DGABMO COCCC[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1F ZINC000019593262 182132706 /nfs/dbraw/zinc/13/27/06/182132706.db2.gz UTPUBPOHMBUQSK-UHFFFAOYSA-N 1 1 306.356 3.399 40 0 DGABMO COCCC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccn1 ZINC000019593260 182133041 /nfs/dbraw/zinc/13/30/41/182133041.db2.gz LGQUCOQCGZOULF-UHFFFAOYSA-N 1 1 306.356 3.399 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(C)c1 ZINC000020047894 182183778 /nfs/dbraw/zinc/18/37/78/182183778.db2.gz AOMJNCNXEZWVJR-UHFFFAOYSA-N 1 1 305.381 3.419 40 0 DGABMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020489529 182223788 /nfs/dbraw/zinc/22/37/88/182223788.db2.gz CQWHCIUIZIIKGR-UHFFFAOYSA-N 1 1 321.380 3.119 40 0 DGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080889 183394047 /nfs/dbraw/zinc/39/40/47/183394047.db2.gz SNQMKPHISYDYHJ-CQSZACIVSA-N 1 1 321.490 3.104 40 0 DGABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227121 257122132 /nfs/dbraw/zinc/12/21/32/257122132.db2.gz MQZBLZROYQHMBP-GJZGRUSLSA-N 1 1 320.314 3.429 40 0 DGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000072228032 257122512 /nfs/dbraw/zinc/12/25/12/257122512.db2.gz BRYXSVAPUHOEDQ-HZPDHXFCSA-N 1 1 300.789 3.318 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F ZINC000072227536 257122778 /nfs/dbraw/zinc/12/27/78/257122778.db2.gz ROKHSQSYZOFPDX-ZIAGYGMSSA-N 1 1 324.277 3.260 40 0 DGABMO C=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000072224710 257123073 /nfs/dbraw/zinc/12/30/73/257123073.db2.gz OXNGAURSXAOXDR-UHFFFAOYSA-N 1 1 303.406 3.090 40 0 DGABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219362 257124215 /nfs/dbraw/zinc/12/42/15/257124215.db2.gz GCVZFSHFJBDAMU-SFHVURJKSA-N 1 1 317.477 3.410 40 0 DGABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216151 257124702 /nfs/dbraw/zinc/12/47/02/257124702.db2.gz NFLJSOPSDOGNCB-LJQANCHMSA-N 1 1 323.440 3.255 40 0 DGABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072218687 257125332 /nfs/dbraw/zinc/12/53/32/257125332.db2.gz RKAONRHFZFNWLY-KRWDZBQOSA-N 1 1 309.413 3.433 40 0 DGABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)C(C)(C)C)C3)s1 ZINC000585101773 400125164 /nfs/dbraw/zinc/12/51/64/400125164.db2.gz FMFKMGHZCDSIJY-QGZVFWFLSA-N 1 1 321.490 3.065 40 0 DGABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)C(C)(C)C)C3)s1 ZINC000585101773 400125167 /nfs/dbraw/zinc/12/51/67/400125167.db2.gz FMFKMGHZCDSIJY-QGZVFWFLSA-N 1 1 321.490 3.065 40 0 DGABMO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc2cccnc21 ZINC000019713202 400186390 /nfs/dbraw/zinc/18/63/90/400186390.db2.gz LXBKXDFSTGXWJV-ZWKOTPCHSA-N 1 1 323.440 3.210 40 0 DGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2ncccc12 ZINC000019712502 400186408 /nfs/dbraw/zinc/18/64/08/400186408.db2.gz VEHZMRKVMQEKKX-WOJBJXKFSA-N 1 1 323.440 3.210 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@H]2[N@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225714766 400959848 /nfs/dbraw/zinc/95/98/48/400959848.db2.gz ARUFQWJKFOKKNK-FCGDIQPGSA-N 1 1 306.494 3.473 40 0 DGABMO C1CCC(O[C@@H]2CCCC[C@H]2N2CC[NH2+][C@@H]3CCCC[C@@H]32)C1 ZINC000225714766 400959851 /nfs/dbraw/zinc/95/98/51/400959851.db2.gz ARUFQWJKFOKKNK-FCGDIQPGSA-N 1 1 306.494 3.473 40 0 DGABMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664909 431235408 /nfs/dbraw/zinc/23/54/08/431235408.db2.gz JURXGSRGDJSVBS-OAHLLOKOSA-N 1 1 313.445 3.248 40 0 DGABMO CCN(CC)c1nc(C)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000012142742 431493099 /nfs/dbraw/zinc/49/30/99/431493099.db2.gz WYJBTHJMUPWVMJ-UHFFFAOYSA-N 1 1 310.445 3.190 40 0 DGABMO CCN(CC)c1nc(C)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000012142742 431493105 /nfs/dbraw/zinc/49/31/05/431493105.db2.gz WYJBTHJMUPWVMJ-UHFFFAOYSA-N 1 1 310.445 3.190 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1OC ZINC000013649267 431564689 /nfs/dbraw/zinc/56/46/89/431564689.db2.gz CPGAXQUSGVQRQQ-OAHLLOKOSA-N 1 1 304.434 3.080 40 0 DGABMO COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000019550508 431620031 /nfs/dbraw/zinc/62/00/31/431620031.db2.gz BSEMQYPMCSTCQM-XJKSGUPXSA-N 1 1 324.380 3.081 40 0 DGABMO COc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000019550508 431620036 /nfs/dbraw/zinc/62/00/36/431620036.db2.gz BSEMQYPMCSTCQM-XJKSGUPXSA-N 1 1 324.380 3.081 40 0 DGABMO O=C1CCOC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951712 431927921 /nfs/dbraw/zinc/92/79/21/431927921.db2.gz ZYNSKBKVJJHUEL-SVFBPWRDSA-N 1 1 321.420 3.260 40 0 DGABMO c1ccc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)nc1 ZINC000096049318 431934918 /nfs/dbraw/zinc/93/49/18/431934918.db2.gz FZLXOCLKNZBUPO-UHFFFAOYSA-N 1 1 322.456 3.107 40 0 DGABMO C1CC1c1nnc([C@H]2C[C@H]3C[N@H+](C4CCCC4)CC[C@@H]3O2)o1 ZINC000096045987 431935140 /nfs/dbraw/zinc/93/51/40/431935140.db2.gz WVIRFXJWXYZHAI-AEGPPILISA-N 1 1 303.406 3.042 40 0 DGABMO Cc1csc([C@H]2C[C@H]3C[N@H+](Cc4cc(C)on4)CC[C@@H]3O2)n1 ZINC000096045996 431935467 /nfs/dbraw/zinc/93/54/67/431935467.db2.gz MRYWGYNPUQVWCI-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO Cc1csc([C@H]2C[C@H]3C[N@@H+](Cc4cc(C)on4)CC[C@@H]3O2)n1 ZINC000096045996 431935469 /nfs/dbraw/zinc/93/54/69/431935469.db2.gz MRYWGYNPUQVWCI-AEGPPILISA-N 1 1 319.430 3.100 40 0 DGABMO c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047143 431935952 /nfs/dbraw/zinc/93/59/52/431935952.db2.gz GYKZWRDUHCVUNX-QGZVFWFLSA-N 1 1 314.458 3.031 40 0 DGABMO COc1ccc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)cc1 ZINC000096060975 431936359 /nfs/dbraw/zinc/93/63/59/431936359.db2.gz GIOAFBCCQNQAPI-UHFFFAOYSA-N 1 1 323.440 3.322 40 0 DGABMO COc1ccc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)cc1 ZINC000096060975 431936361 /nfs/dbraw/zinc/93/63/61/431936361.db2.gz GIOAFBCCQNQAPI-UHFFFAOYSA-N 1 1 323.440 3.322 40 0 DGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccsc1)[C@H]2C ZINC000096061977 431936695 /nfs/dbraw/zinc/93/66/95/431936695.db2.gz JLONKNOETGFAID-AWEZNQCLSA-N 1 1 318.490 3.362 40 0 DGABMO Fc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056414 431936927 /nfs/dbraw/zinc/93/69/27/431936927.db2.gz VZGXIEXIPIQLHI-GUDVDZBRSA-N 1 1 319.420 3.374 40 0 DGABMO Fc1cccc(C[NH+]2C[C@H]3CN(Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053856 431937144 /nfs/dbraw/zinc/93/71/44/431937144.db2.gz HOBCYVPQUSKGDG-IRXDYDNUSA-N 1 1 316.445 3.451 40 0 DGABMO CO[C@@H]1CC[N@@H+](Cc2cc(C)on2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110215 431939182 /nfs/dbraw/zinc/93/91/82/431939182.db2.gz WCNYORMTRWCLFX-PKOBYXMFSA-N 1 1 314.429 3.371 40 0 DGABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COC(C)C)C2)o1 ZINC000096160064 431940476 /nfs/dbraw/zinc/94/04/76/431940476.db2.gz NXQDDGLAROASRG-AEFFLSMTSA-N 1 1 307.434 3.384 40 0 DGABMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COC(C)C)C2)o1 ZINC000096160064 431940478 /nfs/dbraw/zinc/94/04/78/431940478.db2.gz NXQDDGLAROASRG-AEFFLSMTSA-N 1 1 307.434 3.384 40 0 DGABMO Cc1nc(COCc2cnc3n2CC[N@@H+](C(C)C)[C@@H]3C)cs1 ZINC000096206017 431942552 /nfs/dbraw/zinc/94/25/52/431942552.db2.gz YHJDUCCSAGXNMX-GFCCVEGCSA-N 1 1 320.462 3.150 40 0 DGABMO Cc1nc(COCc2cnc3n2CC[N@H+](C(C)C)[C@@H]3C)cs1 ZINC000096206017 431942554 /nfs/dbraw/zinc/94/25/54/431942554.db2.gz YHJDUCCSAGXNMX-GFCCVEGCSA-N 1 1 320.462 3.150 40 0 DGABMO COC[C@@H]1CCC2(CCN(Cc3sccc3C)CC2)[N@H+]1C ZINC000096216366 431942605 /nfs/dbraw/zinc/94/26/05/431942605.db2.gz WNUFDSYXDRZLQU-HNNXBMFYSA-N 1 1 308.491 3.132 40 0 DGABMO CCc1ccc(C[N@H+]2CC[C@H](OC)[C@@H]2Cc2cccnc2)o1 ZINC000096200477 431942955 /nfs/dbraw/zinc/94/29/55/431942955.db2.gz ZOLIVUHKRLNKMW-ROUUACIJSA-N 1 1 300.402 3.069 40 0 DGABMO c1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096220170 431943092 /nfs/dbraw/zinc/94/30/92/431943092.db2.gz NRKJUXVXIUQGIF-ZCNNSNEGSA-N 1 1 324.424 3.030 40 0 DGABMO C[NH+](C)[C@@H]1CCO[C@]2(CCN(Cc3ccccc3Cl)C2)C1 ZINC000096205885 431943150 /nfs/dbraw/zinc/94/31/50/431943150.db2.gz OBXXTYYJBSXFKD-NVXWUHKLSA-N 1 1 308.853 3.025 40 0 DGABMO c1cc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096208004 431943202 /nfs/dbraw/zinc/94/32/02/431943202.db2.gz QULIFUITEJDDEZ-INIZCTEOSA-N 1 1 317.458 3.003 40 0 DGABMO c1cc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096208004 431943203 /nfs/dbraw/zinc/94/32/03/431943203.db2.gz QULIFUITEJDDEZ-INIZCTEOSA-N 1 1 317.458 3.003 40 0 DGABMO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@H+](CC1CCC1)C2 ZINC000253588396 432400602 /nfs/dbraw/zinc/40/06/02/432400602.db2.gz BBAVJVKNQBTLGJ-LJQANCHMSA-N 1 1 311.429 3.084 40 0 DGABMO CN(C)Cc1cnc(CC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000257250775 432422575 /nfs/dbraw/zinc/42/25/75/432422575.db2.gz JNXYAQBGUXLISV-UHFFFAOYSA-N 1 1 316.493 3.125 40 0 DGABMO CCCCc1ncc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)[nH]1 ZINC000257248279 432422900 /nfs/dbraw/zinc/42/29/00/432422900.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 1 1 315.465 3.239 40 0 DGABMO CCCCc1nc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)c[nH]1 ZINC000257248279 432422904 /nfs/dbraw/zinc/42/29/04/432422904.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 1 1 315.465 3.239 40 0 DGABMO CCCCc1nc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)c[nH]1 ZINC000257248279 432422905 /nfs/dbraw/zinc/42/29/05/432422905.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 1 1 315.465 3.239 40 0 DGABMO Cc1ncsc1C[N@H+]1CC[C@@H](c2ncn3ccsc23)C1 ZINC000257283824 432423901 /nfs/dbraw/zinc/42/39/01/432423901.db2.gz OZZKIKVKNKDXOF-LLVKDONJSA-N 1 1 304.444 3.150 40 0 DGABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC000257269838 432424438 /nfs/dbraw/zinc/42/44/38/432424438.db2.gz MRPBTARLWGDERT-KRWDZBQOSA-N 1 1 310.445 3.308 40 0 DGABMO C[NH2+]CCCNc1cc(C)nc2ccc(Br)cc21 ZINC000222687791 432672236 /nfs/dbraw/zinc/67/22/36/432672236.db2.gz SSLHIKKGCZWGKM-UHFFFAOYSA-N 1 1 308.223 3.327 40 0 DGABMO CC(C)[N@H+]1CCC[C@@H](OCCc2noc(-c3ccccc3)n2)C1 ZINC001772502128 1197722011 /nfs/dbraw/zinc/72/20/11/1197722011.db2.gz ZBWARECIZMBWDN-MRXNPFEDSA-N 1 1 315.417 3.169 40 0 DGABMO Cc1cccc(C[N@H+]2CCCC[C@H]3CN(c4ncccn4)C[C@H]32)c1 ZINC000072330682 191123929 /nfs/dbraw/zinc/12/39/29/191123929.db2.gz XYGOFIJLVCWYAF-RBUKOAKNSA-N 1 1 322.456 3.276 40 0 DGABMO c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000072355451 191128822 /nfs/dbraw/zinc/12/88/22/191128822.db2.gz LTAMGFPDWZOEOS-QGZVFWFLSA-N 1 1 319.412 3.042 40 0 DGABMO OCC[N@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072357525 191129790 /nfs/dbraw/zinc/12/97/90/191129790.db2.gz COVLPLBAIPZVQC-OAHLLOKOSA-N 1 1 300.377 3.059 40 0 DGABMO Cn1cc(C[N@H+]2CC[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000072368005 191137261 /nfs/dbraw/zinc/13/72/61/191137261.db2.gz YUIUWTITHFEOKP-HNNXBMFYSA-N 1 1 306.413 3.033 40 0 DGABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072369938 191139829 /nfs/dbraw/zinc/13/98/29/191139829.db2.gz AHSSVUYRGYPCND-INIZCTEOSA-N 1 1 320.396 3.430 40 0 DGABMO Cc1cc(N)nc([C@@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388530 191146294 /nfs/dbraw/zinc/14/62/94/191146294.db2.gz NYGKBBMJIKLVSZ-LJQANCHMSA-N 1 1 321.428 3.360 40 0 DGABMO CC(C)(C)c1cc(CC2([NH2+]Cc3ccccc3)COC2)no1 ZINC000067897824 432045538 /nfs/dbraw/zinc/04/55/38/432045538.db2.gz FDMDBYCLLODBSO-UHFFFAOYSA-N 1 1 300.402 3.073 40 0 biogenic,in-vitro DGABMO C/C(=C\c1ccccc1)C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000179809141 199083189 /nfs/dbraw/zinc/08/31/89/199083189.db2.gz CMJXASFYMQYAGM-FOWTUZBSSA-N 1 1 311.429 3.204 40 0 DGABMO CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188941070 200325487 /nfs/dbraw/zinc/32/54/87/200325487.db2.gz GPMRAZYRXSPUCS-UHFFFAOYSA-N 1 1 312.816 3.217 40 0 DGABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3ccnc4ccncc34)CC2)[nH]1 ZINC000257284327 203011869 /nfs/dbraw/zinc/01/18/69/203011869.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 1 1 321.428 3.198 40 0 DGABMO c1nc(C[N@H+]2CCC[C@H](Cc3ccnc4ccncc34)CC2)c[nH]1 ZINC000257284327 203011871 /nfs/dbraw/zinc/01/18/71/203011871.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 1 1 321.428 3.198 40 0 DGABMO c1nc(C[N@@H+]2CCC[C@H](Cc3ccnc4ccncc34)CC2)c[nH]1 ZINC000257284327 203011874 /nfs/dbraw/zinc/01/18/74/203011874.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 1 1 321.428 3.198 40 0 DGABMO Clc1ccccc1C[C@@H]1COCC[N@H+](C2CCOCC2)C1 ZINC000257293763 203018371 /nfs/dbraw/zinc/01/83/71/203018371.db2.gz QRCMTONRVUAANO-AWEZNQCLSA-N 1 1 309.837 3.010 40 0 DGABMO C[N@H+]1CCC[C@@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 ZINC000257293968 203019286 /nfs/dbraw/zinc/01/92/86/203019286.db2.gz QRWXPGJKAJPCGF-QGZVFWFLSA-N 1 1 301.434 3.255 40 0 DGABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328909 203052350 /nfs/dbraw/zinc/05/23/50/203052350.db2.gz XHOFEHVCWWOSRI-QGZVFWFLSA-N 1 1 319.412 3.165 40 0 DGABMO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257318830 203042899 /nfs/dbraw/zinc/04/28/99/203042899.db2.gz VPOKEPYVDPTRGA-IBGZPJMESA-N 1 1 324.472 3.226 40 0 DGABMO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000095533662 193445944 /nfs/dbraw/zinc/44/59/44/193445944.db2.gz FGBALOPNCKLHHU-AWEZNQCLSA-N 1 1 314.776 3.182 40 0 DGABMO CC[NH+](CC)C[C@@H](O)CNc1c(C)cnc2cc(Cl)ccc21 ZINC000016890043 182062460 /nfs/dbraw/zinc/06/24/60/182062460.db2.gz DPTZFBWALSIQRG-AWEZNQCLSA-N 1 1 321.852 3.311 40 0 DGABMO Fc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293786 182113447 /nfs/dbraw/zinc/11/34/47/182113447.db2.gz PDSMFJJFGNRRGH-HNNXBMFYSA-N 1 1 324.359 3.260 40 0 DGABMO c1csc(-c2noc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000019338868 182117122 /nfs/dbraw/zinc/11/71/22/182117122.db2.gz ZIMWQOHYIUIIGX-CYBMUJFWSA-N 1 1 312.398 3.183 40 0 DGABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348832 182118165 /nfs/dbraw/zinc/11/81/65/182118165.db2.gz VRZXYZGKJRQKQT-HNNXBMFYSA-N 1 1 324.359 3.260 40 0 DGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccccc1 ZINC000020454138 182219650 /nfs/dbraw/zinc/21/96/50/182219650.db2.gz AGUYIIDXXPYXTF-UHFFFAOYSA-N 1 1 319.408 3.430 40 0 DGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000038849152 183011317 /nfs/dbraw/zinc/01/13/17/183011317.db2.gz CCHXFRAQAFGXOH-CGTJXYLNSA-N 1 1 309.413 3.158 40 0 DGABMO Cc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000044080826 183394447 /nfs/dbraw/zinc/39/44/47/183394447.db2.gz FUENMFWOUGBQPG-OAHLLOKOSA-N 1 1 305.491 3.403 40 0 DGABMO COc1ccccc1C(=O)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013424992 257133608 /nfs/dbraw/zinc/13/36/08/257133608.db2.gz AXUGOKFRYJOWGL-ZBFHGGJFSA-N 1 1 303.402 3.117 40 0 DGABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072228092 257121457 /nfs/dbraw/zinc/12/14/57/257121457.db2.gz ZZCARHSUPXOKSB-HZPDHXFCSA-N 1 1 316.788 3.154 40 0 DGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000072228091 257121579 /nfs/dbraw/zinc/12/15/79/257121579.db2.gz ZZCARHSUPXOKSB-HOTGVXAUSA-N 1 1 316.788 3.154 40 0 DGABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228173 257121614 /nfs/dbraw/zinc/12/16/14/257121614.db2.gz MZOUVGASVLXEPC-CABCVRRESA-N 1 1 320.314 3.116 40 0 DGABMO [NH3+][C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227386 257122413 /nfs/dbraw/zinc/12/24/13/257122413.db2.gz WEWPEWXTXJDILC-UONOGXRCSA-N 1 1 306.287 3.121 40 0 DGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000072227897 257122488 /nfs/dbraw/zinc/12/24/88/257122488.db2.gz UYSUITJIZRLCAG-CVEARBPZSA-N 1 1 316.788 3.072 40 0 DGABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227504 257122504 /nfs/dbraw/zinc/12/25/04/257122504.db2.gz YLGCKJATDXAZLX-HUUCEWRRSA-N 1 1 320.314 3.429 40 0 DGABMO [NH3+][C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227392 257122695 /nfs/dbraw/zinc/12/26/95/257122695.db2.gz BGAQQMMWUQPCJQ-ZIAGYGMSSA-N 1 1 307.180 3.409 40 0 DGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2Cl)cc1 ZINC000072228026 257122949 /nfs/dbraw/zinc/12/29/49/257122949.db2.gz UURKZQICIKUXMP-JKSUJKDBSA-N 1 1 300.789 3.318 40 0 DGABMO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072219403 257124014 /nfs/dbraw/zinc/12/40/14/257124014.db2.gz FUCGXNRCHZWWCZ-KRWDZBQOSA-N 1 1 303.450 3.020 40 0 DGABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216244 257125232 /nfs/dbraw/zinc/12/52/32/257125232.db2.gz PVTQZNJHLHMHTN-QGZVFWFLSA-N 1 1 303.450 3.101 40 0 DGABMO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216547 257125260 /nfs/dbraw/zinc/12/52/60/257125260.db2.gz XQFDWQDXWAUIQH-SFHVURJKSA-N 1 1 316.493 3.161 40 0 DGABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216547 257125261 /nfs/dbraw/zinc/12/52/61/257125261.db2.gz XQFDWQDXWAUIQH-SFHVURJKSA-N 1 1 316.493 3.161 40 0 DGABMO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216544 257125311 /nfs/dbraw/zinc/12/53/11/257125311.db2.gz LAWOIOBXQBVBHF-GOSISDBHSA-N 1 1 316.493 3.016 40 0 DGABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216544 257125313 /nfs/dbraw/zinc/12/53/13/257125313.db2.gz LAWOIOBXQBVBHF-GOSISDBHSA-N 1 1 316.493 3.016 40 0 DGABMO CC(C)[C@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716605 257128876 /nfs/dbraw/zinc/12/88/76/257128876.db2.gz XUNGIHPTYBQJTM-ZDUSSCGKSA-N 1 1 305.765 3.312 40 0 DGABMO Cc1cccc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000238950374 257213172 /nfs/dbraw/zinc/21/31/72/257213172.db2.gz WVOGJFTUZBTRMU-FQEVSTJZSA-N 1 1 320.436 3.268 40 0 DGABMO CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000585100737 400125320 /nfs/dbraw/zinc/12/53/20/400125320.db2.gz VAPUXJDPQJEBOS-SFHVURJKSA-N 1 1 322.399 3.332 40 0 DGABMO c1cc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)cs1 ZINC000585105474 400125507 /nfs/dbraw/zinc/12/55/07/400125507.db2.gz XGAQHDYDPRTUSL-OAHLLOKOSA-N 1 1 318.467 3.282 40 0 DGABMO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000019713826 400186353 /nfs/dbraw/zinc/18/63/53/400186353.db2.gz ZPLWPRHLFZCBQF-JKSUJKDBSA-N 1 1 324.827 3.454 40 0 DGABMO CCN(C(=O)Cc1ccccc1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695629 400186592 /nfs/dbraw/zinc/18/65/92/400186592.db2.gz BPLQMYYUMWAVKY-GOSISDBHSA-N 1 1 314.473 3.485 40 0 DGABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3cscn3)C[C@H]12 ZINC000213207502 400945384 /nfs/dbraw/zinc/94/53/84/400945384.db2.gz KBLFIVJVWWKJHI-UKPHBRMFSA-N 1 1 315.442 3.136 40 0 DGABMO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cscn3)C[C@H]12 ZINC000213207502 400945387 /nfs/dbraw/zinc/94/53/87/400945387.db2.gz KBLFIVJVWWKJHI-UKPHBRMFSA-N 1 1 315.442 3.136 40 0 DGABMO COc1ccc2c(c1)CC1(CC2)CC[NH+](CCCN(C)C)CC1 ZINC000001637894 286388021 /nfs/dbraw/zinc/38/80/21/286388021.db2.gz NCAHBRFKABBQAP-UHFFFAOYSA-N 1 1 316.489 3.218 40 0 DGABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191358 278313325 /nfs/dbraw/zinc/31/33/25/278313325.db2.gz RJJBZKVBRLYUMB-CABCVRRESA-N 1 1 319.449 3.379 40 0 DGABMO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000108531976 431146109 /nfs/dbraw/zinc/14/61/09/431146109.db2.gz PAPNJUCNURORGR-CRAIPNDOSA-N 1 1 322.399 3.045 40 0 DGABMO CC[N@H+]1CC[C@@H](C2(C(=O)OC)c3ccccc3-c3ccccc32)C1 ZINC000001568364 431228382 /nfs/dbraw/zinc/22/83/82/431228382.db2.gz VTXNXLIZQOUASX-OAHLLOKOSA-N 1 1 321.420 3.468 40 0 DGABMO CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1[NH2+]CCCN(C)C ZINC000004834897 431304158 /nfs/dbraw/zinc/30/41/58/431304158.db2.gz DITWSVCWNJUFDK-IKGGRYGDSA-N 1 1 312.498 3.066 40 0 DGABMO CC[C@@H](OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000002694572 431264921 /nfs/dbraw/zinc/26/49/21/431264921.db2.gz NKYWMAGCRMHOMJ-UKBAYJJMSA-N 1 1 305.462 3.493 40 0 DGABMO CC(C)c1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000009876429 431446312 /nfs/dbraw/zinc/44/63/12/431446312.db2.gz PXWPPZKJNPQFJZ-AWEZNQCLSA-N 1 1 305.491 3.438 40 0 DGABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2c(C)nn(C)c2C)no1 ZINC000012186591 431497829 /nfs/dbraw/zinc/49/78/29/431497829.db2.gz UMJKARGYHQAWPI-QGZVFWFLSA-N 1 1 302.422 3.451 40 0 DGABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2c(C)nn(C)c2C)no1 ZINC000012186591 431497833 /nfs/dbraw/zinc/49/78/33/431497833.db2.gz UMJKARGYHQAWPI-QGZVFWFLSA-N 1 1 302.422 3.451 40 0 DGABMO OC[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CCCC2)C1 ZINC000013266551 431552291 /nfs/dbraw/zinc/55/22/91/431552291.db2.gz APEUHSUJFXJLLX-AWEZNQCLSA-N 1 1 313.445 3.425 40 0 DGABMO O=C1CC[N@H+](Cc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000013267117 431552531 /nfs/dbraw/zinc/55/25/31/431552531.db2.gz YFCDHFHFGUZFBG-UHFFFAOYSA-N 1 1 312.388 3.060 40 0 DGABMO COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000013983450 431573975 /nfs/dbraw/zinc/57/39/75/431573975.db2.gz WEQLWGNDNRARGE-UAGQMJEPSA-N 1 1 319.445 3.030 40 0 world DGABMO COc1ccc(C[N@@H+](CCO)Cc2cccs2)c(C)c1C ZINC000013997532 431575980 /nfs/dbraw/zinc/57/59/80/431575980.db2.gz WXBNPSWGEWQYIM-UHFFFAOYSA-N 1 1 305.443 3.368 40 0 DGABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000095533713 431926333 /nfs/dbraw/zinc/92/63/33/431926333.db2.gz BZFHUHKLVITKNM-CQSZACIVSA-N 1 1 314.776 3.182 40 0 DGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096048557 431934842 /nfs/dbraw/zinc/93/48/42/431934842.db2.gz VVCOFBDMQNUGCT-DOTOQJQBSA-N 1 1 317.458 3.249 40 0 DGABMO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](c3noc(C)n3)O[C@@H]2C1 ZINC000096046192 431935130 /nfs/dbraw/zinc/93/51/30/431935130.db2.gz LRYVKTNQGVHGEG-BFHYXJOUSA-N 1 1 319.430 3.100 40 0 DGABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2=O)c1 ZINC000096050564 431935744 /nfs/dbraw/zinc/93/57/44/431935744.db2.gz NSNMBOIHBLXAOF-HXUWFJFHSA-N 1 1 324.424 3.213 40 0 DGABMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096060145 431936243 /nfs/dbraw/zinc/93/62/43/431936243.db2.gz AACOZNLGTKTMSF-AWEZNQCLSA-N 1 1 305.447 3.019 40 0 DGABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059996 431936606 /nfs/dbraw/zinc/93/66/06/431936606.db2.gz QGRTZCZNLAJJIB-KRWDZBQOSA-N 1 1 303.450 3.029 40 0 DGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)s1 ZINC000096057885 431937059 /nfs/dbraw/zinc/93/70/59/431937059.db2.gz LHVZQGXSCLYCLR-GVDBMIGSSA-N 1 1 307.459 3.215 40 0 DGABMO COCCC[N@H+]1CCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096075267 431937797 /nfs/dbraw/zinc/93/77/97/431937797.db2.gz QTXLKASXFJIXPC-UHFFFAOYSA-N 1 1 320.452 3.293 40 0 DGABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)cs1 ZINC000096072409 431938310 /nfs/dbraw/zinc/93/83/10/431938310.db2.gz IXBCUGMTJCVEON-IRXDYDNUSA-N 1 1 322.474 3.002 40 0 DGABMO CO[C@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110535 431938404 /nfs/dbraw/zinc/93/84/04/431938404.db2.gz FDCXTPQRBSGJGM-HKUYNNGSSA-N 1 1 303.446 3.053 40 0 DGABMO Cc1cccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)n1 ZINC000096184739 431941421 /nfs/dbraw/zinc/94/14/21/431941421.db2.gz OKKMGSVCPLYIFB-MSOLQXFVSA-N 1 1 313.470 3.300 40 0 DGABMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)n1 ZINC000096184739 431941424 /nfs/dbraw/zinc/94/14/24/431941424.db2.gz OKKMGSVCPLYIFB-MSOLQXFVSA-N 1 1 313.470 3.300 40 0 DGABMO Cc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccncc2)C3)s1 ZINC000096202552 431942899 /nfs/dbraw/zinc/94/28/99/431942899.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 1 1 313.470 3.159 40 0 DGABMO Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2ccncc2)C3)s1 ZINC000096202552 431942901 /nfs/dbraw/zinc/94/29/01/431942901.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 1 1 313.470 3.159 40 0 DGABMO c1coc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)c1 ZINC000096200781 431943063 /nfs/dbraw/zinc/94/30/63/431943063.db2.gz RDCOTLOJEVQQKJ-OALUTQOASA-N 1 1 312.413 3.287 40 0 DGABMO CN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[N@@H+](C)C1 ZINC000056682337 431988626 /nfs/dbraw/zinc/98/86/26/431988626.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 1 1 303.837 3.272 40 0 DGABMO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)o1 ZINC000248126190 432270280 /nfs/dbraw/zinc/27/02/80/432270280.db2.gz WZGQHRNMTWLQRB-INIZCTEOSA-N 1 1 316.426 3.122 40 0 DGABMO CNc1cc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)ccn1 ZINC000257221407 432420094 /nfs/dbraw/zinc/42/00/94/432420094.db2.gz DOYBVHGNSDEPMR-MRXNPFEDSA-N 1 1 321.428 3.347 40 0 DGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)ccn1 ZINC000257221407 432420099 /nfs/dbraw/zinc/42/00/99/432420099.db2.gz DOYBVHGNSDEPMR-MRXNPFEDSA-N 1 1 321.428 3.347 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232313 432420365 /nfs/dbraw/zinc/42/03/65/432420365.db2.gz GKIILHVYIYFKAB-HNNXBMFYSA-N 1 1 309.413 3.140 40 0 DGABMO c1cc(C[C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257232313 432420366 /nfs/dbraw/zinc/42/03/66/432420366.db2.gz GKIILHVYIYFKAB-HNNXBMFYSA-N 1 1 309.413 3.140 40 0 DGABMO c1cc(C[C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257232313 432420371 /nfs/dbraw/zinc/42/03/71/432420371.db2.gz GKIILHVYIYFKAB-HNNXBMFYSA-N 1 1 309.413 3.140 40 0 DGABMO O=C1CCC[C@]2(C[N@H+](CC3CCC3)C[C@H]2c2ccccc2F)N1 ZINC000257230526 432421160 /nfs/dbraw/zinc/42/11/60/432421160.db2.gz GCSQGQGIGGATSB-QFBILLFUSA-N 1 1 316.420 3.064 40 0 DGABMO CCN(C(C)=O)[C@@H]1C[N@@H+](Cc2cccnc2)C2(C1)CCCCC2 ZINC000257243757 432422119 /nfs/dbraw/zinc/42/21/19/432422119.db2.gz IIKYOQSABPSVMT-SFHVURJKSA-N 1 1 315.461 3.227 40 0 DGABMO CO[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257318093 432424586 /nfs/dbraw/zinc/42/45/86/432424586.db2.gz VMMHVTCJJVRUEE-HKUYNNGSSA-N 1 1 312.413 3.005 40 0 DGABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)c1ccccc1 ZINC000257321823 432425219 /nfs/dbraw/zinc/42/52/19/432425219.db2.gz WDJRTGRRKWDVPA-GOSISDBHSA-N 1 1 303.377 3.200 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218849602 432660695 /nfs/dbraw/zinc/66/06/95/432660695.db2.gz AOIYHYXUOPSXOB-YSTOQKLRSA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218849602 432660697 /nfs/dbraw/zinc/66/06/97/432660697.db2.gz AOIYHYXUOPSXOB-YSTOQKLRSA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225717999 432696439 /nfs/dbraw/zinc/69/64/39/432696439.db2.gz AOIYHYXUOPSXOB-FUMNGEBKSA-N 1 1 314.473 3.341 40 0 DGABMO c1ccc(CO[C@@H]2CCCC[C@@H]2N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225717999 432696442 /nfs/dbraw/zinc/69/64/42/432696442.db2.gz AOIYHYXUOPSXOB-FUMNGEBKSA-N 1 1 314.473 3.341 40 0 DGABMO COc1ccc(Cl)cc1C(=O)NCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225039495 432684820 /nfs/dbraw/zinc/68/48/20/432684820.db2.gz UPOYVRKAGGSLMG-BETUJISGSA-N 1 1 324.852 3.056 40 0 DGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccccc1F ZINC000225448434 432692014 /nfs/dbraw/zinc/69/20/14/432692014.db2.gz QTBHFASZZLWKCL-MRXNPFEDSA-N 1 1 306.425 3.139 40 0 DGABMO CCNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000329066879 434352661 /nfs/dbraw/zinc/35/26/61/434352661.db2.gz YDVLDYROCYSLGI-ZDUSSCGKSA-N 1 1 308.429 3.737 40 0 DGABMO CO[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000377240538 313031607 /nfs/dbraw/zinc/03/16/07/313031607.db2.gz DGSQLCVOLMDNPC-GOSISDBHSA-N 1 1 313.445 3.490 40 0 DGABMO c1csc(C[N@H+]2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)c1 ZINC000306134016 534520754 /nfs/dbraw/zinc/52/07/54/534520754.db2.gz NBTXCAPYJYBIDC-ZBFHGGJFSA-N 1 1 322.437 3.236 40 0 DGABMO CC(C)CC[N@H+]1CCOc2c(nc(-c3ccccc3)[nH]c2=O)C1 ZINC000306139806 527727156 /nfs/dbraw/zinc/72/71/56/527727156.db2.gz UBHNTHWDWAUNQW-UHFFFAOYSA-N 1 1 313.401 3.090 40 0 DGABMO Fc1ccc(F)c(C[NH2+]Cc2ccnn2CC(F)(F)F)c1 ZINC000256054892 575207770 /nfs/dbraw/zinc/20/77/70/575207770.db2.gz YFKJTMOWOCEPKS-UHFFFAOYSA-N 1 1 305.250 3.013 40 0 DGABMO Cc1cccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1C ZINC000006422365 1193314221 /nfs/dbraw/zinc/31/42/21/1193314221.db2.gz UKZVAGVGHSBWGT-UHFFFAOYSA-N 1 1 312.413 3.037 40 0 DGABMO