SMILES for Ribosomal protein S6 kinase alpha-1

[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

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM139539

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O

BDBM139540

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM236881

COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1 |r|

BDBM236882

COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1 |r|

BDBM236877

OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(Cl)c(F)c1 |r|

BDBM236878

CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r|

BDBM236879

Cn1nccc1Nc1cc2nc(ccc2cn1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 |r|

BDBM236880

Fc1cc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl

BDBM236883

Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl

BDBM236884

CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r|

BDBM236886

Cn1cc(cn1)[C@@H](NC(=O)c1ccc2cnc(Nc3ccnn3C)cc2c1)c1ccc(Cl)c(F)c1 |r|

BDBM236885

OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r|

BDBM236887

C[C@@H](CO)Nc1cc2cc(ccc2cn1)C(=O)NCc1cc2c(F)cccc2[nH]1 |r|

BDBM236888

COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1cnn(C)c1 |r|

BDBM236889

CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1 |r|

BDBM236890

COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1 |r|

BDBM237222

COc1ccc(cc1)N(Cc1ccc(O)c(OC)c1)C(=S)Nc1ccccc1

BDBM237223

COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(F)cc2)ccc1O

BDBM237224

COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Cl)cc2)ccc1O

BDBM237214

COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O

BDBM237225

COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O

BDBM258594

CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1

BDBM258595

Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F

BDBM258596

CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1

BDBM258597

C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|

BDBM258598

C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|

BDBM258599

Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F

BDBM258600

Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F

BDBM258601

CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl

BDBM430028

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1

BDBM430029

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cnc(F)c(F)c1

BDBM430030

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(Cl)nn1C

BDBM430031

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12

BDBM430032

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccoc3)c12

BDBM430033

COc1cncc(c1)-c1ccc(NCCNC(C)C)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12

BDBM430034

COc1cc(c(F)cn1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12

BDBM430035

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cccnc3F)c12

BDBM430036

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccsc3)c12

BDBM430037

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12

BDBM430038

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cc(nn3C)C(F)(F)F)c12

BDBM430039

COc1cncc(c1)-c1ccc(NCCN(C)C)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)c12

BDBM430040

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cccnc3C)c12

BDBM430041

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN(C)C)-c3ccsc3)c12

BDBM430042

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nccs3)c12

BDBM430043

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ncco3)c12

BDBM430044

CC1C(=O)Nc2ncnc(N3CCC(CC3)c3cc(cnc3NCCN3CCCC3)-c3cc(nn3C)C(F)(F)F)c12

BDBM430045

CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nnc(o3)C(F)F)c12

BDBM430046

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)F

BDBM430047

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F

BDBM430049

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F

BDBM430050

CN(CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F)C(C)(C)C

BDBM430051

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F

BDBM430052

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F

BDBM430053

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C1CC1

BDBM430054

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)F

BDBM430055

CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)(F)F

BDBM430056

CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nc(no1)C(F)(F)F

BDBM430057

CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nc(no3)C(F)(F)F)c12

BDBM430073

CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1ccc(F)c(c1)C(F)(F)F

BDBM430074

CC(C)(C)NCCn1cc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1

BDBM458758

C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)nc3n12 |r|

BDBM50269615

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

BDBM50271973

C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C3CCOCC3)c12 |r|

BDBM50271974

C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r|

BDBM50271975

C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C(F)(F)F)c12 |r|

BDBM50271964

C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(CCC(F)(F)F)cn3CCN3CCCC3)c12 |r|

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM199250

Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50170284

Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)|

BDBM50528416

CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)|

BDBM50528415

Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1

BDBM50528409

Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)|

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM25017

CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

BDBM50111384

Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1

BDBM50235350

C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12

BDBM50554257

COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1

BDBM50554258

COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM50571440

CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O

BDBM50573869

Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1

BDBM50111385

CN1CCN(CC1)c1ccc(cc1)-c1ccncc1-c1cc(F)c(O)c(F)c1

BDBM50585046

CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2

BDBM50156670

CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1

BDBM50592745

COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C

BDBM50605537

[H][C@]12CN([C@H](C)CN1c1ncnc3c(F)c(c(Cl)c(OCC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wD:4.4,1.0,(2.77,3.02,;2.46,1.44,;3.89,1.99,;5.09,1.02,;4.85,-.5,;6.05,-1.47,;3.42,-1.05,;2.22,-.09,;1.01,-1.04,;1.67,-2.43,;.79,-3.65,;-.74,-3.57,;-1.4,-2.18,;-2.94,-2.1,;-3.81,-3.32,;-3.6,-.67,;-2.72,.6,;-3.38,1.99,;-1.19,.52,;-1.24,2.3,;.1,3.07,;1.6,2.71,;-.53,-.96,;-5.14,-.59,;-6.01,-1.81,;-5.35,-3.2,;-7.55,-1.73,;-8.2,-.29,;-7.33,.93,;-5.79,.85,;-4.92,2.12,;6.53,1.58,;7.73,.61,;6.77,3.1,;8.2,3.65,)|

BDBM14032

CCn1c(nc2cnccc12)-c1nonc1N

BDBM24996

CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N

BDBM50609121

Cn1cnc(COc2ccc3c(c2)C(C)(O)O[C@]32CC[C@@H](CC2)n2c(nc3cc(F)ccc23)-c2nonc2N)n1 |r,wU:20.25,wD:17.17,(8.75,-7.06,;7.98,-5.72,;8.6,-4.35,;7.44,-3.28,;6.11,-4.05,;4.78,-3.28,;3.44,-4.05,;2.11,-3.28,;2.11,-1.72,;.74,-.94,;-.61,-1.72,;-.61,-3.29,;.75,-4.08,;-1.95,-3.82,;-3.04,-4.91,;-1.56,-5.31,;-2.86,-2.65,;-2.1,-1.32,;-1.01,-.23,;-1.41,1.26,;-2.9,1.65,;-3.98,.57,;-3.59,-.92,;-3.29,3.14,;-2.38,4.39,;-3.25,5.61,;-4.76,5.14,;-6.08,5.91,;-7.42,5.14,;-8.75,5.91,;-7.42,3.59,;-6.08,2.83,;-4.76,3.6,;-.84,4.39,;.2,3.26,;1.62,3.88,;1.47,5.38,;-.07,5.72,;-.84,7.06,;6.44,-5.55,)|

BDBM610463

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM50452728

COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3

BDBM50613392

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1

BDBM50613393

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613394

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50242733

NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1

BDBM50622457

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM50622458

Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1

BDBM50241294

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|

BDBM50626652

O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23

BDBM3175

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

BDBM2683

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

BDBM8296

Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|

BDBM50166289

c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2

BDBM7457

c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O

BDBM50218709

COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM328993

FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|

BDBM112499

COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM50256480

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM101618

Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50185140

CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl

BDBM50311017

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM130909

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50263132

Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12

BDBM50259376

C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|

BDBM50259532

NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1

BDBM50259563

NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1

BDBM50259601

C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|

BDBM50259637

C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|

BDBM50259638

C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|

BDBM50311953

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311954

CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

BDBM50311985

CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|

BDBM50314344

Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO

BDBM50315069

CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

BDBM50316253

CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50316252

COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

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|

BDBM50329876

NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(=O)[nH]c2)cc1

BDBM50262685

c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5

BDBM5416

C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1

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

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

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|

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM50355550

NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O

BDBM50357884

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

BDBM50359359

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

BDBM14047

CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N

BDBM50365218

CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N

BDBM50371215

CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|

BDBM50250137

COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc23)cc1 |w:10.9|

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM50378568

CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|

BDBM50389154

COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|

BDBM50393109

Nc1nc2c(nccc2[nH]1)-c1ccccn1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50439463

C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12

BDBM50439464

C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1

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,)|

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50136226

CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50234990

CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1