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425 SMILES Strings for MAP kinase-interacting serine/threonine-protein kinase 1

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM3032 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM3603 CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
BDBM3570 Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
BDBM3532 COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5416 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM30178 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
BDBM30185 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
BDBM30192 Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM53334 COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC
BDBM92455 OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
BDBM98032 CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O
BDBM98033 COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
BDBM98034 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
BDBM98035 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1
BDBM98036 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM98038 Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1
BDBM98039 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O
BDBM98040 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM98041 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM168229 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
BDBM289177 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50215481 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50262685 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50298223 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50309189 NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1
BDBM50321929 OCC(CC1CCCCC1)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326427 Fc1ccc(Nc2ncnc3nc[nH]c23)cc1
BDBM50326428 COC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
BDBM50326429 Clc1ccc(Nc2ncnc3n[nH]cc23)cc1
BDBM50326412 C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1
BDBM50326413 NC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
BDBM50326414 O=c1[nH]cnc2cc3n[nH]cc3cc12
BDBM50326415 OCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1
BDBM50326416 COCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1
BDBM50326417 COCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
BDBM50326418 OCCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
BDBM50326419 OCCCNc1ccc2ncc(-c3ccccc3F)n2n1
BDBM50326420 C(Cc1ccccn1)Nc1ccc2ncc(-c3ccccc3)n2n1
BDBM50326421 COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC
BDBM50326430 N(c1ccc2ccccc2c1)c1ncnc2n[nH]cc12
BDBM50326422 CNc1ccc2ncc(-c3cccc(O)c3)n2n1
BDBM50326423 CNc1ccc2ncc(-c3ccc(F)cc3)n2n1
BDBM50326424 c1nc2cccnn2c1-c1ccncc1
BDBM50326425 C(Nc1nn2c(cnc2s1)-c1ccncc1)C1CC1
BDBM50326426 CC(C)CNc1nn2c(cnc2s1)-c1ccncc1
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50329876 NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(=O)[nH]c2)cc1
BDBM50329879 O=c1ccc(c[nH]1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
BDBM50329881 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
BDBM50329882 Nc1cc(ccn1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
BDBM50329885 Oc1ccc(cc1O)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1
BDBM50329886 NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(O)c(O)c2)cc1
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50379081 CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
BDBM289198 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289242 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50401899 Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
BDBM50401900 O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
BDBM50440018 CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
BDBM98037 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C
BDBM181478 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccon3)c12)N=S(C)(C)=O
BDBM50079403 Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
BDBM50079466 COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50079473 COC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM181488 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181493 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
BDBM181565 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181528 CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181552 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(C)(C)O |r|
BDBM181568 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
BDBM181663 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
BDBM181661 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM181645 C[C@@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181649 CCNC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
BDBM50079402 Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
BDBM50079404 COC(=O)c1sc2ncnc(Nc3ccc(=O)n(C)c3)c2c1C
BDBM181662 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM181582 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181594 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM181612 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181630 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181632 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM181380 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S1(=O)CCCC1
BDBM181385 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181388 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181393 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)O
BDBM181398 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)(F)F |r|
BDBM181400 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181401 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
BDBM181410 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM50042938 CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCCCS(C)(=O)=O
BDBM50079405 COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
BDBM181439 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(F)(F)F |r|
BDBM181440 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S(C)(C)=O
BDBM181470 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)N=S(C)(C)=O
BDBM50042933 COc1cc(Cl)c(Cl)cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NC1CC1
BDBM50079468 CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50079470 COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
BDBM50079472 COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50042935 CCNC(=O)C1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1
BDBM50042936 COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1
BDBM50042937 Fc1ccc2Nc3ncnc4[nH]c5CCC(Cc5c34)C(=O)OCCOc2c1
BDBM50079467 CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50079469 Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(N)=O
BDBM50079471 Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
BDBM50042934 CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCCCc3c12
BDBM50079449 COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50130693 Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
BDBM50130694 CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
BDBM50130695 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
BDBM50130697 Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
BDBM50130698 Cc1c(sc2ncnc(Nc3ccc(F)cc3C)c12)C(O)=O
BDBM50130702 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM50130704 CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130705 CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130706 COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130707 COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130696 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3C)c2c1C
BDBM50130703 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM50154291 CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
BDBM50170166 CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
BDBM50170167 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
BDBM50170168 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
BDBM50170169 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
BDBM50170174 CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170217 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
BDBM50170170 CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170171 FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
BDBM50170172 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
BDBM50170173 CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170213 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
BDBM50170221 CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50170222 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50170223 FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
BDBM50170224 CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
BDBM50170214 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
BDBM50170215 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170216 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170218 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
BDBM50170219 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM50170220 CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM164267 O=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
BDBM164268 CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164269 CC(C)C1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164270 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C1CCCC1
BDBM164271 CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM164273 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(F)cc1
BDBM164274 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
BDBM164276 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
BDBM164278 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(F)(F)F
BDBM164280 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccsc1
BDBM164590 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
BDBM164599 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
BDBM164600 O=C(Nc1cc(Nc2ccc3C(=O)NC4(CCCC4)n3c2=O)ncn1)C1CC1
BDBM164607 CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM164609 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM164611 O=C(OCc1ccccc1)N1CCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
BDBM164615 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(F)c1
BDBM168130 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(Cl)c1
BDBM168131 CC(C)C1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168140 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
BDBM168200 CC1(NC(=O)c2ccc(Nc3cc(\C=C\C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM168202 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(Cl)cc(Cl)c1
BDBM168203 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccccn1
BDBM168204 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C(F)(F)F
BDBM168205 CC1(C)CCCC11NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168206 CC1(NC(=O)c2ccc(Nc3ncnc4[nH]c(cc34)C3CC3)c(=O)n12)C(F)(F)F
BDBM168207 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM168208 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM168210 CC1(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168211 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
BDBM168213 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC1
BDBM168215 CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168217 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C1CCCC1
BDBM168220 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM168224 Clc1ccc2C(=O)NC3(CCC[C@@H](C3)N3C(=O)c4ccccc4C3=O)n2c1=O |r|
BDBM168225 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168226 CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168228 CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168230 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
BDBM168231 CC1(NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n12)C(F)(F)F
BDBM168232 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168233 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCOCC1
BDBM164243 CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168234 FC1(F)CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168235 CC1(C)CCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168236 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCOCC1
BDBM168237 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CSC1
BDBM168238 FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168239 Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168240 CC1(C)NC(=O)c2c(cc(Nc3ccncn3)c(=O)n12)C1CC1
BDBM168241 CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12
BDBM168242 Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCOCC4)n3c2=O)ncn1
BDBM168244 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
BDBM168245 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccncc1
BDBM168246 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccccn1
BDBM168247 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccncc1
BDBM168248 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccn1
BDBM168249 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccnc1
BDBM168250 FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168252 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(c1)C(F)(F)F
BDBM168253 COc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168254 CSc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168255 Cc1cccc(c1)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168256 CC(C)(C)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168257 FC(F)(F)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168258 CC(C)(C)OC(=O)N1CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168261 CNc1cc(Nc2cc(Cl)c3C(=O)NC(C)(c4cccc(Cl)c4)n3c2=O)ncn1
BDBM168262 Cc1cccc(n1)C1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168263 Fc1cccc(c1)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168264 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(Cl)c1
BDBM168266 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
BDBM168267 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CS(=O)C1
BDBM168268 CC1(C)CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168269 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
BDBM168270 Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM168272 CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cc(ncc34)C3CC3)c(=O)n12
BDBM168273 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
BDBM168212 CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168216 CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168222 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1
BDBM168223 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
BDBM164608 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
BDBM168214 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168301 Clc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168289 C[Si](C)(C)CCOCn1cnc2ncnc(Nc3cc(Cl)c4C(=O)NC5(CCCCC5)n4c3=O)c12
BDBM168299 Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CNCNC4)n3c2=O)ncn1
BDBM168302 CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
BDBM168303 CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168304 CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3ccncn3)c(=O)n21
BDBM168305 O=c1c(Nc2ccncn2)ccc2C(=S)NC3(CCCCC3)n12
BDBM168308 Clc1cc(Nc2ncncc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168309 Cn1cc(cn1)-c1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168311 CC(C)C(=O)N(COCC[Si](C)(C)C)c1ncnc2n(COCC[Si](C)(C)C)nnc12
BDBM168332 CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cnccc34)c(=O)n12
BDBM168335 CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
BDBM168338 COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168221 FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168274 Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168275 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
BDBM168276 CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168277 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(C)(n3c2=O)C(C)(C)C)ncn1
BDBM168278 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C(=O)OC(C)(C)C
BDBM168279 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168280 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCN(CC4)C(=O)OC(C)(C)C)n3c2=O)ncn1
BDBM168281 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168282 FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168283 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(Cl)cc45)n3c2=O)ncn1
BDBM168284 Fc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168285 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2C1=O
BDBM168286 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(F)cc45)n3c2=O)ncn1
BDBM168287 Clc1cc(Nc2ncncc2Cl)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168288 Cc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
BDBM261870 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM261907 C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
BDBM261908 C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM289180 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
BDBM289188 CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289196 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
BDBM289197 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
BDBM289200 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289213 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289221 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289248 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289252 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289254 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
BDBM289120 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S1(=O)CCCC1 |r|
BDBM289121 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S(C)(C)=O |r|
BDBM289125 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289126 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289131 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289143 O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289155 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289164 O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM297349 CC1NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
BDBM297351 CC1CC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
BDBM297354 CC1CNC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297355 CC1Cc2cc(Nc3ccncn3)ccc2C(=O)N1
BDBM297356 CC1NC(=O)c2ccc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
BDBM297364 CC1NC(=O)c2c1cc(Nc1ccncn1)cc2C
BDBM297365 CC1NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
BDBM297366 CC1(C)NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
BDBM297367 O=C1NC(c2ccsc2)c2cc(Nc3ccncn3)ccc12
BDBM297368 CC1NC(=O)c2ccc(Nc3ncnc4NCCOc34)cc12
BDBM297369 CC1NC(=O)c2ccc(Nc3ncnc4NCCc34)cc12
BDBM297370 CC1(CN)NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297372 CC1NC(=O)c2cnc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
BDBM297373 CC1(C)NC(=O)c2c1cc(Nc1cc(N)ncn1)cc2Cl
BDBM297336 O=C1NCc2cc(Nc3ncnc4[nH]cnc34)ccc12
BDBM297337 CN1Cc2cc(Nc3ncnc4[nH]cnc34)ccc2C1=O
BDBM297338 O=C1NCc2cc(Nc3ccncn3)ccc12
BDBM297339 Clc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
BDBM297340 O=C1CCc2cc(Nc3ccncn3)ccc12
BDBM297341 Cn1cc(Nc2cc(Nc3ccc4C(=O)NCc4c3)ncn2)cn1
BDBM297342 CC1NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297343 O=C1NCCc2cc(Nc3ccncn3)ccc12
BDBM297344 CC(=O)Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
BDBM297345 O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
BDBM297346 CC(C)C1NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297347 CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM289350 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
BDBM289364 COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289375 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289271 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
BDBM289276 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
BDBM289384 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
BDBM289299 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM289326 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289334 CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289398 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S(C)(C)=O |r|
BDBM289396 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
BDBM313886 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
BDBM313887 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCCC3)c(C)c12)C(F)(F)F |r|
BDBM313888 CCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313891 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313895 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313898 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313900 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313904 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OCCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
BDBM313909 COc1c(cc2ncnc(Nc3cc4cn[nH]c4cc3OC(C)C)c2c1C)N=S(C)(C)=O
BDBM313910 COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313914 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313915 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313916 COc1c(C)c2c(Nc3cc4cn[nH]c4cc3OC(C)C)ncnc2cc1N=S1(=O)CCC1
BDBM313921 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
BDBM313924 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313925 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(C)c12 |r|
BDBM313927 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S(C)(C)=O |r|
BDBM313928 COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313929 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313931 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313933 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCCC1 |r,wU:16.16,wD:19.20,(3.48,-1.69,;3.48,-3.23,;2.15,-4,;.82,-3.23,;.82,-1.69,;-.52,-4,;-1.85,-3.23,;-1.85,-1.69,;-3.19,-.92,;-4.52,-1.69,;-5.85,-.92,;-5.85,.62,;-7.19,1.39,;-4.52,1.39,;-3.19,.62,;-1.85,1.39,;-1.85,2.93,;-3.19,3.7,;-3.19,5.24,;-1.85,6.01,;-1.85,7.55,;-.52,5.24,;-.52,3.7,;-3.19,-4,;-3.19,-5.54,;-1.85,-6.31,;-.52,-5.54,;.82,-6.31,;2.15,-5.54,;3.48,-6.31,;4.82,-5.54,;4.82,-4,;4.82,-7.08,;6.28,-7.55,;7.19,-6.31,;6.28,-5.06,)|
BDBM313934 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(C)c12 |r|
BDBM313935 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313936 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313937 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313939 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S(C)(C)=O |r|
BDBM313946 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313947 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCC1 |r,wU:16.16,wD:19.20,(3.72,-1.95,;3.72,-3.49,;2.39,-4.26,;1.06,-3.49,;1.06,-1.95,;-.28,-4.26,;-1.61,-3.49,;-1.61,-1.95,;-2.94,-1.18,;-4.28,-1.95,;-5.61,-1.18,;-5.61,.36,;-6.94,1.13,;-4.28,1.13,;-2.94,.36,;-1.61,1.13,;-1.61,2.67,;-2.94,3.44,;-2.94,4.98,;-1.61,5.75,;-1.61,7.29,;-.28,4.98,;-.28,3.44,;-2.94,-4.26,;-2.94,-5.8,;-1.61,-6.57,;-.28,-5.8,;1.06,-6.57,;2.39,-5.8,;3.72,-6.57,;5.06,-5.8,;5.06,-4.26,;5.46,-7.29,;6.94,-6.89,;6.55,-5.4,)|
BDBM313949 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCC3CC3)c(C)c12)C(F)(F)F |r|
BDBM313950 COCCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313951 CC(C)Oc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313952 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC3CCOC3)c(C)c12)C(F)(F)F |r|