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215 SMILES Strings for Mitogen-activated protein kinase kinase kinase kinase 4

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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
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
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|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM103302 O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |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|
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
BDBM50302943 OCCC#Cc1nc(c(-c2ccncc2)n1C#C)-c1ccc(F)cc1
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
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
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
BDBM50354357 Nc1ncnc2sc3CCCCc3c12
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|
BDBM50425862 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
BDBM50425863 CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
BDBM50425864 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
BDBM50430289 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
BDBM50430297 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
BDBM50436477 C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
BDBM50011534 Nc1ncnc2ncc(cc12)-c1cccc(Cl)c1
BDBM50011536 Nc1ncnc2ccc(nc12)-c1cccc(F)c1
BDBM50011539 Cc1onc(N)c1-c1cccc(N)c1
BDBM50011546 CNc1ncc(cn1)-c1cccc(N)c1
BDBM50011547 Nc1cccc(c1)-c1cnc(N)nc1
BDBM50011550 Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
BDBM50011551 Nc1ncnc2ccc(cc12)-c1ccccc1
BDBM50011552 COc1ccccc1-c1ccc2ncnc(N)c2c1
BDBM50011554 COc1ccc(cc1)-c1ccc2ncnc(N)c2c1
BDBM50011556 Nc1ncnc2ccc(cc12)-c1cccc(c1)C#N
BDBM50011558 Nc1cc(ccc1F)-c1ccc2ncnc(N)c2c1
BDBM50011560 Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
BDBM50011561 Nc1ncnc2ccc(cc12)-c1cccc(F)c1
BDBM50011564 Nc1ncnc2ccc(cc12)-c1cccc(Cl)c1
BDBM50011535 Nc1ncnc2cnc(cc12)-c1cccc(F)c1
BDBM50011537 Nc1cccc(c1)-c1cnco1
BDBM50011540 Nc1cccc(c1)-c1cccnc1N
BDBM50011548 Cc1cc(cnc1N)-c1cccc(N)c1
BDBM50011549 Nc1cccc(c1)-c1ccc(N)nc1
BDBM50011553 COc1cccc(c1)-c1ccc2ncnc(N)c2c1
BDBM50011555 Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
BDBM50011557 Nc1ncnc2ccc(cc12)-c1ccc(cc1)C#N
BDBM50011559 Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
BDBM50011562 Nc1ncnc2ccc(cc12)-c1ccccc1F
BDBM50011563 Nc1ncnc2ccc(cc12)-c1ccc(F)cc1
BDBM50011568 Nc1ncnc2ccc(cc12)-c1cc(F)cc(F)c1
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50058516 O(c1cccnc1)c1ncnn2cccc12
BDBM50058666 CCS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058669 OCc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058680 O=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058690 Nc1ncnn2cccc12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50058525 CNC(=O)C(C)(C)n1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058677 Fc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058512 N(c1cn[nH]c1)c1ncnn2cccc12
BDBM50058513 N(c1cccnc1)c1ncnn2cccc12
BDBM50058514 N(c1ccncc1)c1ncnn2cccc12
BDBM50058515 C1CN(CCO1)c1ncnn2cccc12
BDBM50058524 Brc1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058586 CNC(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058653 CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058654 OCCn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058656 C(Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1
BDBM50058661 CNS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058662 CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058663 C1CN(CCO1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058664 CN1CCN(CC1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058665 C1CN(CCO1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058667 CS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058668 CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058670 Fc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058671 OCc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058673 Clc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058674 Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058675 Clc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058676 Cc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058678 O=C(c1cn[nH]c1)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058679 O=C(c1cc2c(Nc3ccncc3)ncnn2c1)c1nnn[nH]1
BDBM50058681 O=C(N1CCOCC1)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058682 O=C(N1CCC1)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058684 NC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058685 CC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058686 OCc1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058687 N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1
BDBM50058688 N#Cc1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058689 CCOC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50058691 CNc1ncnn2cccc12
BDBM50058692 CC(C)Nc1ncnn2cccc12
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50058683 CCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
BDBM50138137 NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1
BDBM50138158 COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
BDBM50138159 NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1
BDBM50138160 NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
BDBM50138162 NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1
BDBM50134771 Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
BDBM50134773 NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1
BDBM50134774 NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1
BDBM50122685 NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
BDBM50122725 Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(cc12)-c1cccc(F)c1 |(-1.33,2.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-.26,-3.69,;-2.66,-3.85,;-2.65,-5.4,;-3.73,-6.44,;-2.64,-7.52,;-2.63,-8.75,;-1.55,-6.43,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;5.34,5.08,;4,3.08,)|
BDBM50122727 Nc1ncc(C(=O)NC2CNC2)c2ccc(cc12)-c1cccc(F)c1
BDBM50122728 CC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
BDBM50122729 CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
BDBM50122739 Nc1ncc(C(=O)N[C@@H]2C[C@H](O)C2)c2ccc(nc12)-c1cccc(F)c1 |r,wD:8.7,10.10,(1.33,2.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;.27,-3.7,;2.67,-3.85,;2.67,-5.39,;3.76,-6.42,;2.67,-7.51,;2.67,-8.74,;1.58,-6.42,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-7.75,.92,;-5.35,.77,)|
BDBM50122741 Nc1ncc(C(=O)NC2CN(C2)C(=O)C2CC2)c2ccc(nc12)-c1cccc(F)c1
BDBM50122742 CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
BDBM50122743 Nc1ncc(C(=O)NC2CC2)c2ccc(cc12)-c1cccc(F)c1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM225230 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
BDBM50122688 Nc1ncc(C(=O)NCC#N)c2ccc(cc12)-c1cccc(F)c1
BDBM50122730 Nc1ncc(C(=O)NC2CC2)c2ccc(nc12)-c1cccc(F)c1
BDBM50122740 CCC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
BDBM50134772 Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
BDBM50138135 Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(=O)[nH]c1
BDBM225896 Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
BDBM225884 COc1cc(ccc1O)-c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)c2nccn12
BDBM225885 CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3c(C)nc(nc3c2c1)-c1cnn(C)c1
BDBM225886 Cc1cc(C)c2c(N)c(sc2n1)C#N
BDBM225887 NC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
BDBM225888 CC(=O)NCC1Cc2cc(Cl)cc(c2O1)-c1ccncc1
BDBM225889 Clc1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2[nH]1
BDBM225890 Cn1c(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
BDBM225891 FC(F)(F)Cn1c(cc2cc(NC(=O)C3CC3)ncc12)-c1ccccc1Cl
BDBM225892 N#Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
BDBM225893 CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ccnn1-c1ccc(F)cc1F
BDBM225894 CNC(=O)c1ccc2-c3cc(nn3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
BDBM225895 CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
BDBM225898 Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
BDBM225899 CNC(=O)c1ccc2-c3c(C)c(nn3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
BDBM225900 Nc1ncc(C(=O)N[C@H]2CCC[C@@H](O)C2)c2ccc(cc12)-c1cccc(F)c1
BDBM225901 Cc1c[nH]nc1-c1cccc(c1)-c1ccc2ncnc(N)c2n1
BDBM50138127 NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1
BDBM50138128 Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1
BDBM50138134 NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
BDBM50138143 Cn1c(cnc1-c1ccc(cc1)C(N)=O)-c1ccc(Cl)cc1
BDBM50138151 Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccccc1
BDBM50138153 CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1
BDBM50138155 CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
BDBM50185442 O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
BDBM50162967 O=C(Nc1ccc(CN2CCN(CC2)c2ccccc2)cc1)c1n[nH]c2ccccc12
BDBM50210946 C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(cc1)-c1ccccc1 |r,c:3|
BDBM50210947 C[C@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:3|
BDBM50210949 CC(C)(C)OC[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:8|
BDBM50210950 C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Cl)cc1Cl |r,c:3|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50210945 CC(C)[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(Br)cc1 |r,c:5|
BDBM50210948 C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c1ccc(NC(C)=O)cc1 |r,c:3|