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468 SMILES Strings for Mitogen-activated protein kinase kinase kinase 13

Compound NameSMILES String
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,)|
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
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
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
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|
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|
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
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|
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50059190 FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM289504 CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F
BDBM324284 Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
BDBM50271207 [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
BDBM50271212 [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM637250 C[C@H]1CCC[C@H](C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637444 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1F |r|
BDBM637445 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1F
BDBM637446 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(OC(F)(F)F)cc1
BDBM637447 C[C@H](NC(=O)c1cc(c(F)s1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637448 Nc1nc2cc(ccn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637449 COc1cccc(CNC(=O)c2cc(cs2)-c2ccn3nc(N)nc3c2)c1
BDBM637450 Nc1nc2cc(ccn2n1)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637451 Nc1nc2cc(ccn2n1)-c1csc(c1)C(=O)NCC1CCCCC1
BDBM637153 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2COC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637154 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1COC1
BDBM637155 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2COC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637156 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637157 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@@H](C)CO)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637257 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CC1
BDBM637258 CC(C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637259 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCCCC1
BDBM637260 CN(C1CCCCC1)C(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637261 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCC(C1)C(F)(F)F
BDBM637262 CCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r,wU:6.9,wD:3.2,(-10.69,-2.07,;-9.17,-2.3,;-8.2,-1.11,;-6.67,-1.29,;-6.07,-2.71,;-4.54,-2.9,;-3.62,-1.67,;-4.21,-.26,;-5.74,-.07,;-2.08,-1.82,;-1.19,-.57,;-1.83,.83,;.34,-.72,;1.37,.44,;2.78,-.18,;2.63,-1.71,;1.13,-2.04,;4.11,.59,;4.11,2.13,;5.44,2.9,;6.78,2.13,;8.24,2.61,;9.15,1.36,;10.69,1.36,;8.24,.12,;6.78,.59,;5.44,-.18,)|
BDBM637383 C[C@@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637452 CCOc1cccc(CNC(=O)c2cc(cs2)-c2ccn3nc(N)nc3c2)c1
BDBM637453 Cc1cccc(C)c1NC(=O)c1cc(cs1)-c1ccn2nc(N)nc2c1
BDBM637454 C[C@H](NC(=O)c1cc(cs1)-c1ccn2nc(N)nc2c1)c1ccc(F)cc1 |r|
BDBM637455 Nc1nc2cc(cc(C(O)=O)n2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637456 Cc1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637457 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C)c3nc(N)nn3c2)c1
BDBM637458 Cc1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637459 Cc1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CCCCC1
BDBM637158 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)CO)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637159 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)CO)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637160 CC(C)(CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637161 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@@H](C)COC)c2nc(N)nn2c1)c1ccccc1 |r,$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;$|
BDBM637162 CCNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccccc1 |r|
BDBM637163 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(cc1)C(F)(F)F |r|
BDBM637265 CCN1CCCC(C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637266 CN1CCCC(C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637267 COc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637269 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCOC1
BDBM637270 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCOCC1
BDBM637460 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(F)(F)F
BDBM637461 C[C@H](NC(=O)c1cc(cs1)-c1cc(c2nc(N)nn2c1)C(F)(F)F)c1ccccc1 |r|
BDBM637462 C[C@H](NC(=O)c1cc(cs1)-c1cc(c2nc(N)nn2c1)C(F)(F)F)c1ccc(F)cc1 |r|
BDBM637463 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(F)(F)F
BDBM637464 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NC1CCCCC1)C(F)(F)F
BDBM637465 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(c3nc(N)nn3c2)C(F)(F)F)c1
BDBM637466 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(F)c3nc(N)nn3c2)c1
BDBM637164 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)C)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637165 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(N)=O
BDBM637166 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(N)=O |r|
BDBM637167 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1 |r|
BDBM637168 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM637169 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccccc1 |r|
BDBM637170 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(C)cc1 |r|
BDBM637272 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCC1CCCCC1
BDBM637273 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCC1CCOCC1
BDBM637275 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCC1CCCC1
BDBM637276 CCOc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637277 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(OC(F)(F)F)c1
BDBM637278 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(Cl)c1
BDBM637279 Cc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637123 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C(F)(F)F)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637113 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCNC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637114 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCNC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637108 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637109 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC(=O)C2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637467 Nc1nc2c(F)cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637468 C[C@H](NC(=O)c1cc(cs1)-c1cc(F)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637469 CC(C)NS(=O)(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637470 CCNS(=O)(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637471 CNS(=O)(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637472 COCc1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637473 COCc1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637171 COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637172 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCC2)c2nc(N)nn2c1)c1ccc(cc1)C(F)(F)F |r|
BDBM637173 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1 |r|
BDBM637174 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637175 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1nc2ccccc2o1 |r|
BDBM637176 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
BDBM637177 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM637280 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(OC(F)F)c1
BDBM637281 CC(C)Oc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637282 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCC1CCCOC1
BDBM637286 CN1C2CCC1CC(C2)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |TLB:0:1:3.4:6.8.7|
BDBM637287 COc1ccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)cc1OC
BDBM637201 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CC(C)(C)Oc2ccccc12
BDBM637283 C[C@H]1CCC[C@@H](C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637474 CC(C)NC(=O)c1cc(cn2ncnc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637475 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC(C)C)c3ncnn3c2)c1
BDBM637476 CC(C)NC(=O)c1cc(cn2ncnc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637477 CC(C)c1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637478 CC(C)c1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637479 CCc1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637480 CCc1nnc(o1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637178 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637179 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 |r|
BDBM637180 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1nc2ccccc2o1 |r|
BDBM637181 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CCOC1 |r|
BDBM637182 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637183 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)N[C@H]1CCOC1 |r|
BDBM637288 COc1ccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)cc1
BDBM637289 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(OCC(F)(F)F)c1
BDBM637290 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(OC2CC2)c1
BDBM637291 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccnc1
BDBM637292 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(OCCN2CCOCC2)c1
BDBM637294 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCC1COCCO1
BDBM637481 CCc1nnc(o1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637482 CCc1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637483 CCC(C)c1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccc(F)cc1 |r|
BDBM637484 CCC(C)c1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637184 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@@H]2CCOC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637185 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(cc1)C(F)(F)F |r|
BDBM637186 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(C)cc1 |r|
BDBM637187 COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637188 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637189 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H](CO)C(F)(F)F)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637296 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCCc1ccccc1
BDBM637297 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)c(F)c1
BDBM637298 COc1cccc(CN(C)C(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637299 CN1CCO[C@H](CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)C1 |r|
BDBM637300 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCCCc1ccccc1
BDBM637301 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(F)c1
BDBM637221 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)CF)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637028 CN(C)C(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637029 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)N(C)C)c3nc(N)nn3c2)c1
BDBM637030 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC(C)C)c3nc(N)nn3c2)c1
BDBM637031 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637032 CCNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637034 CCNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1cccc(OC)c1
BDBM637035 CCNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637190 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 |r|
BDBM637191 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)N[C@H](CO)C(F)(F)F |r|
BDBM637192 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccc(F)cc1 |r|
BDBM637193 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1CNC1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;$|
BDBM637194 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CNC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r,$;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$|
BDBM637195 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637304 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1Cl
BDBM637305 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1C(F)(F)F
BDBM637306 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1c(F)cccc1F
BDBM637307 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cc(F)cc(F)c1
BDBM637308 Cc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1C
BDBM637309 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)Nc1ccccc1Cl
BDBM637310 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(Cl)cc1
BDBM637311 CCOc1ccccc1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637036 CNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1cccc(OC)c1
BDBM637037 CNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637039 CNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637040 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637042 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CCCCC1
BDBM637043 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC(C)(C)C)c3nc(N)nn3c2)c1
BDBM637044 CC(C)(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CCCCC1
BDBM637196 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccccc1 |r|
BDBM637197 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC(COC(F)(F)F)c1ccccc1
BDBM637198 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 |r|
BDBM637199 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CCCc2cc(F)ccc12
BDBM637200 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H]1CCOc2ccccc12 |r|
BDBM637312 Cc1ccccc1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637313 COc1ccccc1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637315 CN1CCCCC1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637316 COc1cc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)ccc1F
BDBM637317 COc1cccc(c1)C(C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637318 Cc1cccc(C)c1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637319 COc1cc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)ccn1
BDBM637384 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1(CC1)c1ccc(F)cc1
BDBM637385 Nc1nc2cc(F)c(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637386 CC(C)C(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1
BDBM637387 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637388 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1
BDBM637389 Cc1cccc2oc(CNC(=O)c3cc(cs3)-c3ccc4nc(N)nn4c3)nc12
BDBM637390 Cc1sc(cc1-c1ccc2nc(N)nn2c1)C(=O)NCc1ccc(F)cc1
BDBM637391 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1COc2ccc(F)cc12
BDBM637485 CCC(C)c1nnc(s1)-c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637486 CC[C@H](NC(=O)c1cc(cs1)-c1cc(-c2nnc(s2)[C@@H](C)CO)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637487 CC[C@H](NC(=O)c1cc(cs1)-c1cc(-c2cnn(CC(F)(F)F)c2)n2nc(N)nc2c1)c1ccc(F)cc1 |r|
BDBM637488 CC[C@H](NC(=O)c1cc(cs1)-c1cc(-c2cnn(CC(F)(F)F)c2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637045 CC(C)(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637046 CC(C)(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637060 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637064 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)C)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637065 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637068 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM637074 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1 |r|
BDBM637202 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H]1CCCc2ccccc12 |r|
BDBM637203 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1(CCCC1)c1ccc(F)cc1
BDBM637204 COc1ccc(cc1)C(C)(C)NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1
BDBM637205 COc1cccc(c1)C(C)(C)NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1
BDBM637206 CC[C@@H](NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(F)(F)F |r|
BDBM637207 CC[C@@H](NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1)C(F)(F)F |r|
BDBM637208 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCC1CC1
BDBM637320 COc1cncc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637321 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(c1)C#N
BDBM637323 COc1cc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)cc(OC)c1
BDBM637324 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ncco1
BDBM637325 Cc1csc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)n1
BDBM637326 Cn1ccnc1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637327 Cn1ccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)n1
BDBM637392 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCc2ccccc12
BDBM637393 CC(C)(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1
BDBM637394 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1(CCC1)c1ccc(F)cc1
BDBM637395 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1(CCCC1)c1ccc(F)cc1
BDBM637396 COc1cccc(CNC(=O)c2cc(c(C)s2)-c2ccc3nc(N)nn3c2)c1
BDBM637397 Cc1sc(cc1-c1ccc2nc(N)nn2c1)C(=O)NC1CCCCC1
BDBM637398 Cc1sc(cc1-c1ccc2nc(N)nn2c1)C(=O)NCc1nc2ccccc2o1
BDBM637075 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1CCNC1
BDBM637103 CC(C)(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1nc2ccccc2o1
BDBM637104 COCCNC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637105 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM637106 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637107 CC(NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(F)(F)F
BDBM637209 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1COC1
BDBM637210 COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637213 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H](CC)c1ccc(F)cc1 |r|
BDBM637214 CC[C@@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637215 CC[C@@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637328 Cc1cn(C)nc1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637330 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1nc(cs1)C(F)(F)F
BDBM637331 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1nc2ccccc2o1
BDBM637332 COc1ccc2oc(CNC(=O)c3cc(cs3)-c3ccc4nc(N)nn4c3)nc2c1
BDBM637334 CC(C)c1csc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)n1
BDBM637335 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cnc(Cl)s1
BDBM637399 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1(COC1)c1ccc(F)cc1
BDBM637400 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCOc2ccc(F)cc12
BDBM637401 CC1(C)CC(NC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c2ccccc2O1
BDBM637402 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCOc2ccccc12
BDBM637403 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCc2cc(F)ccc12
BDBM637404 CC[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637405 Cc1sc(cc1-c1ccc2nc(N)nn2c1)C(=O)NCc1ccccc1
BDBM637110 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1 |r|
BDBM637111 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)N[C@@H](C)CO)c3nc(N)nn3c2)c1 |r|
BDBM637112 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1CNC(=O)C1
BDBM637115 CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1nc2ccccc2o1
BDBM637216 CC[C@@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H](CC)c1ccc(F)cc1 |r|
BDBM637217 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637218 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccc(F)cc1 |r|
BDBM637219 COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637220 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2(CO)CC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637336 Cn1cnc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637339 COc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)n1
BDBM637340 Cn1nccc1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637341 COc1ccnc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637342 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cn2ccccc2n1
BDBM637406 CCC[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1 |r|
BDBM637407 COC[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1 |r|
BDBM637408 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1 |r|
BDBM637409 CC[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1 |r|
BDBM637410 C[C@@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccccc1 |r|
BDBM637411 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)N[C@H](c1ccccc1)C(F)(F)F |r|
BDBM637413 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(CN2CCCC2=O)cc1
BDBM637116 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NC1CCNC1
BDBM637117 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC3CCNC3)c3nc(N)nn3c2)c1
BDBM637118 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NC1CNC(=O)C1
BDBM637119 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1CCCCC1 |r|
BDBM637120 C[C@@H](CO)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1nc2ccccc2o1 |r|
BDBM637121 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC3CNC(=O)C3)c3nc(N)nn3c2)c1
BDBM637122 NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637222 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)(C)C)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637223 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NC1(CCCC1)c1ccc(F)cc1 |r|
BDBM637224 CC[C@@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccc(F)cc1 |r|
BDBM637227 CC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H]1CCOc2ccccc12 |r|
BDBM637345 COc1ccc2n(C)c(CNC(=O)c3cc(cs3)-c3ccc4nc(N)nn4c3)nc2c1
BDBM637346 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cnc2ccccn12
BDBM637348 COc1cccc(c1)[C@H](C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637349 COc1cccc(c1)[C@@H](C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637350 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1cccc(Cl)c1 |r|
BDBM637414 CCN(CC)Cc1ccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)cc1
BDBM637415 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1cnn(C)c1
BDBM637416 CCn1ccc(n1)C(C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637417 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1nc2CCCCc2s1
BDBM637418 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1cn[nH]c1
BDBM637419 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1nc(C)c(C)s1
BDBM637420 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1nc2ccccc2n1C
BDBM637124 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637125 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637126 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1CC1
BDBM637228 CC[C@H](NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(F)(F)F |r|
BDBM637229 CC[C@H](NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1)C(F)(F)F |r|
BDBM637230 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637231 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM637232 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637233 COc1cccc(CNC(=O)c2cc(cs2)-c2cc(C(=O)NC(C)C)n3nc(N)nc3c2)c1
BDBM637234 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637352 C[C@@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1cccc(Cl)c1 |r|
BDBM637353 COc1ccc2OC(C)(C)CC(NC(=O)c3cc(cs3)-c3ccc4nc(N)nn4c3)c2c1
BDBM637354 COc1cccc(c1)C(C)(C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637355 CCNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637356 COCCCNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637357 COC1CCC(C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637358 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccsc1
BDBM637421 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC(c1ccc(F)cc1)C(F)(F)F
BDBM637422 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC(CO)c1ccc(F)cc1
BDBM637423 CCC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1
BDBM637424 COC[C@H](C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637425 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1COC1
BDBM637426 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)N[C@@H](CCO)c1ccc(F)cc1 |r|
BDBM637427 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(CN2CCOCC2)cc1
BDBM637428 CN1CCN(Cc2ccc(CNC(=O)c3cc(cs3)-c3ccc4nc(N)nn4c3)cc2)CC1
BDBM637131 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C(F)(F)F)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637132 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NC1CCC1
BDBM637133 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NCC(F)(F)F
BDBM637136 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NC1CC1
BDBM637235 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NC1CCCCC1
BDBM637236 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NCc1nc2ccccc2o1
BDBM637237 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)n2nc(N)nc2c1)c1ccccc1 |r|
BDBM637238 CC(C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
BDBM637239 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)n2nc(N)nc2c1)c1ccc(F)cc1 |r|
BDBM637240 COC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC(C)C)n2nc(N)nc2c1)c1ccccc1 |r|
BDBM637241 CC[C@H](C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](CC)c1ccc(F)cc1 |r|
BDBM637359 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccs1
BDBM637360 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccco1
BDBM637361 Cn1cccc1CNC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637362 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccoc1
BDBM637363 CCc1ccccc1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637364 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(OCCN2CCCCC2)cc1
BDBM637365 COC(=O)c1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637366 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(OCCN2CCOCC2)cc1
BDBM637412 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC(C1CC1)c1ccccc1
BDBM637429 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(CN2CCCC2)cc1
BDBM637430 C[C@@H](CO)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637433 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(cc1)C(C)(C)C
BDBM637434 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(C)cc1 |r|
BDBM637435 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1nccn1C
BDBM637436 C[C@H](NC(=O)c1scc(c1C)-c1ccc2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637138 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NC1CCC1
BDBM637139 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637140 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2CCC2)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637141 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccc(F)cc1)C(=O)NCC(F)(F)F
BDBM637142 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NCC(F)(F)F)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637143 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NCC(F)(F)F)c2nc(N)nn2c1)c1ccc(F)cc1 |r|
BDBM637242 CCNC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NCc1ccc(F)cc1
BDBM637243 CCNC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637244 CC[C@H](C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](COC)c1ccc(F)cc1 |r|
BDBM637245 CC[C@H](C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637246 CC[C@H](C)NC(=O)c1cc(cc2nc(N)nn12)-c1csc(c1)C(=O)NCc1ccc(F)cc1 |r|
BDBM637247 CC[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)N[C@H]2CCOC2)n2nc(N)nc2c1)c1ccc(F)cc1 |r|
BDBM637367 COc1cccc(CCNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637368 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCCc1c(F)cccc1Cl
BDBM637369 CN(CCc1ccccc1)C(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637370 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1cccc(c1)C(O)=O
BDBM637371 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)Nc1ccccc1OC(F)(F)F
BDBM637372 CCN1CCC[C@H](C1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637373 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)Nc1ccccc1OC(F)F
BDBM637374 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)Nc1ccccc1CO
BDBM637437 Cc1c(csc1C(=O)NCc1ccc(F)cc1)-c1ccc2nc(N)nn2c1
BDBM637438 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(cc1)C(F)(F)F |r|
BDBM637439 COc1ccc(cc1)[C@H](C)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1 |r|
BDBM637440 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(Cl)cc1 |r|
BDBM637441 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(OC(F)(F)F)cc1 |r|
BDBM637442 CC(NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1ccc(OCC(F)F)cc1
BDBM637443 C[C@H](NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1)c1nc2ccccc2o1 |r|
BDBM637144 Nc1nc2c(cc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1)C(=O)NC1COC1
BDBM637145 C[C@H](NC(=O)c1cc(cs1)-c1cc(C(=O)NC2COC2)c2nc(N)nn2c1)c1ccccc1 |r|
BDBM637147 COC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccccc1 |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM637148 COC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)NCc1ccc(F)cc1 |r|
BDBM637149 COC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccc(F)cc1 |r|
BDBM637150 COC[C@H](C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@@H](C)c1ccccc1 |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM637253 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1
BDBM637254 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCCC1
BDBM637255 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCCC1
BDBM637256 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NC1CCC1
BDBM637375 COc1cccc(c1)C(CCO)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637376 COc1cccc(c1)C1(CC1)NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637377 COCCOc1cccc(CNC(=O)c2cc(cs2)-c2ccc3nc(N)nn3c2)c1
BDBM637378 CC(C)c1ccccc1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637379 CC(O)c1ccccc1NC(=O)c1cc(cs1)-c1ccc2nc(N)nn2c1
BDBM637380 Nc1nc2ccc(cn2n1)-c1csc(c1)C(=O)NCc1ccc2OCOc2c1
BDBM637381 COc1cccc(CNC(=O)c2cc(cs2)-c2cn3nc(N)nc3cc2F)c1
BDBM637382 Nc1nc2cc(F)c(cn2n1)-c1csc(c1)C(=O)NCc1ccccc1
GDC-0134 Nc1ncc(cc1OC(F)F)-c1cc(nc(n1)N1CCC(F)(F)C1)N1C[C@@H]2C[C@H]1CO2
CHEMBL5276415 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)[C@@H]3CCCO3)[C@]([H])(CO1)C2 |r|
CHEMBL5281886 [H][C@]12CN(c3cc(nc(n3)N3CC4CC3C4)-c3cnc(N)cn3)[C@]([H])(CO1)C2 |r,wU:23.27,1.0,(-4.72,-1.9,;-5.22,-3.47,;-3.88,-2.7,;-2.55,-3.47,;-1.22,-2.7,;-1.22,-1.16,;.11,-.38,;1.45,-1.15,;1.45,-2.69,;.11,-3.46,;2.78,-3.46,;4.19,-2.83,;5.22,-3.98,;4.45,-5.31,;2.94,-4.99,;3.71,-3.66,;.11,1.16,;-1.22,1.92,;-1.22,3.47,;.11,4.24,;.11,5.78,;1.44,3.47,;1.44,1.93,;-2.55,-5.01,;-1.01,-4.89,;-3.88,-5.78,;-5.22,-5.01,;-4.13,-4.56,)|
CHEMBL5284496 [H][C@]12CN(c3cc(nc(n3)N3CC4CC3C4)-c3cnc(N)c(n3)C(F)(F)F)[C@]([H])(CO1)C2 |r,wU:1.0,27.31,(-4.72,-1.9,;-5.22,-3.47,;-3.88,-2.7,;-2.55,-3.47,;-1.22,-2.7,;-1.22,-1.16,;.11,-.38,;1.45,-1.15,;1.45,-2.69,;.11,-3.46,;2.78,-3.46,;4.19,-2.83,;5.22,-3.98,;3.71,-3.66,;2.94,-4.99,;4.45,-5.31,;.11,1.16,;-1.22,1.92,;-1.22,3.47,;.11,4.24,;.11,5.78,;1.44,3.47,;1.44,1.93,;2.77,4.24,;4.11,3.47,;2,5.57,;3.54,5.57,;-2.55,-5.01,;-1.01,-4.89,;-3.88,-5.78,;-5.22,-5.01,;-4.13,-4.55,)|
CHEMBL5271972 [H][C@]12CN(c3cc(nc(n3)N3CC4CC3C4)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r,wU:1.0,27.31,(-4.83,-1.9,;-5.33,-3.46,;-4,-2.69,;-2.66,-3.46,;-1.33,-2.69,;-1.33,-1.16,;0,-.38,;1.33,-1.15,;1.33,-2.69,;0,-3.46,;2.67,-3.46,;4.07,-2.83,;5.11,-3.98,;3.6,-3.66,;2.83,-4.99,;4.34,-5.31,;0,1.16,;-1.33,1.92,;-1.33,3.47,;-0,4.23,;-0,5.78,;1.33,3.47,;2.66,4.24,;4,3.47,;5.33,4.24,;4,1.93,;1.33,1.93,;-2.66,-5,;-1.12,-4.89,;-4,-5.78,;-5.33,-5,;-4.24,-4.55,)|
CHEMBL5277276 [H][C@]12CN(c3cc(cc(n3)C3CC3)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r|
CHEMBL5278476 [H][C@]12CN(c3cc(cc(c3)-c3cnc(N)c(OC(F)F)n3)C3CC3)[C@]([H])(CO1)C2 |r|
CHEMBL5269484 [H][C@]12CN(c3cc(cc(n3)-c3cnc(N)c(OC(F)F)n3)C3CC3)[C@]([H])(CO1)C2 |r|
CHEMBL5278185 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)C3CC3)[C@]([H])(CO1)C2 |r|
CHEMBL5268969 [H][C@]12CN(c3cc(cc(n3)N3CCC(F)(F)C3)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r|
CHEMBL5277751 [H][C@]12CN(c3cc(nc(n3)N3CCC(F)(F)C3)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r|
CHEMBL5284890 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CCC(F)(F)C3)[C@]([H])(CO1)C2 |r|
CHEMBL5281494 [H][C@]12CN(c3cc(cc(n3)N3CC4CC3C4)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CN1C(=O)OC)C2 |r,wU:1.0,27.31,(-3.99,-.9,;-4,-2.31,;-2.66,-1.54,;-1.33,-2.31,;.01,-1.54,;-0,-0,;1.34,.77,;2.67,0,;2.67,-1.53,;1.33,-2.3,;4,-2.3,;5.41,-1.68,;6.44,-2.82,;5.67,-4.15,;4.16,-3.83,;5.01,-2.63,;1.34,2.31,;-0,3.07,;-0,4.62,;1.33,5.39,;1.33,6.93,;2.66,4.62,;4,5.39,;5.33,4.62,;6.66,5.39,;5.33,3.08,;2.66,3.08,;-1.33,-3.85,;.36,-3.86,;-2.66,-4.62,;-4,-3.85,;-5.33,-4.62,;-6.66,-3.85,;-5.33,-6.16,;-6.66,-6.93,;-2.91,-3.4,)|
CHEMBL5273015 [H][C@@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CCC(F)(F)C3)[C@@]([H])(CO1)C2 |r|
CHEMBL5276337 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CC4CC3C4)[C@]([H])(CO1)C2 |r,wU:1.0,27.31,(-5.32,-2.06,;-5.33,-3.47,;-4,-2.69,;-2.66,-3.47,;-1.33,-2.69,;0,-3.46,;1.33,-2.69,;1.34,-1.15,;0,-.38,;-1.34,-1.16,;0,1.16,;-1.33,1.92,;-1.33,3.47,;-0,4.24,;-0,5.78,;1.33,3.47,;2.66,4.24,;4,3.47,;5.33,4.24,;4,1.93,;1.33,1.93,;2.67,-3.46,;4.07,-2.83,;5.11,-3.98,;4.34,-5.31,;2.83,-4.99,;3.59,-3.87,;-2.66,-5.01,;-.97,-5.01,;-4,-5.78,;-5.33,-5.01,;-4.24,-4.55,)|
CHEMBL5268950 [H][C@]12CN(c3nc(SC)cc(n3)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r|
CHEMBL5270353 Nc1ncc(nc1OC(F)F)-c1cc(nc(n1)N1CC2CC(C1)O2)N1CCC(F)(F)C1
CHEMBL5269792 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)[C@H]3CCCO3)[C@]([H])(CO1)C2 |r|
CHEMBL5272522 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CC4CC3C4)[C@]([H])(CN1C(=O)OCC)C2 |r,wU:1.0,27.31,(-4,0,;-4,-1.54,;-2.66,-.77,;-1.33,-1.54,;.01,-.77,;1.33,-1.53,;2.67,-.76,;2.67,.77,;1.34,1.54,;-0,.77,;1.34,3.08,;-0,3.84,;-0,5.39,;1.33,6.16,;1.33,7.7,;2.66,5.39,;4,6.16,;5.33,5.39,;6.66,6.16,;5.33,3.85,;2.66,3.85,;4,-1.53,;5.41,-.91,;6.44,-2.05,;5.67,-3.38,;4.16,-3.06,;4.93,-1.73,;-1.33,-3.08,;.21,-3.08,;-2.66,-3.85,;-4,-3.08,;-5.33,-3.85,;-6.66,-3.08,;-5.33,-5.39,;-6.66,-6.16,;-6.66,-7.7,;-2.91,-2.63,)|
CHEMBL5271665 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CCC(F)(F)C3)[C@]([H])(CN1c1ccc(C)nn1)C2 |r|
CHEMBL5288706 [H][C@]12CN(c3nc(SC)cc(n3)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CN1C(=O)OCC)C2 |r|
CHEMBL5286166 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)N3CCC(F)(F)C3)[C@]([H])(CN1C(=O)OCC)C2 |r|
CHEMBL5283101 [H][C@]12CN(c3nc(cc(n3)-c3cnc(N)c(OC(F)F)n3)C3CC3)[C@]([H])(CN1C(=O)OCC)C2 |r|