SMILES for Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|

BDBM525452

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CCC(C)(C)O

BDBM525453

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)CO

BDBM525454

CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-n1cnc2ccccc12

BDBM525455

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(ccc2n1CC(C)(C)O)C1CCN(CC1)C1CC1

BDBM525456

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-3.55,-1.56,;-3.15,-3.05,;-1.66,-3.44,;-1.27,-4.93,;-.57,-2.36,;-.97,-.87,)|

BDBM525457

CC(C)(O)Cn1c2ccc(cc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1)C1CCCOC1

BDBM525458

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(ccc2n1CC(C)(C)O)C1CCCOC1

BDBM525459

COC(=O)Cc1ccc2n(CC(C)(C)O)\c(=N\C(=O)c3ccnc(c3)-c3cccnc3)[nH]c2c1

BDBM525460

COC(=O)Cc1ccc2n(CC(C)(C)O)\c(=N\C(=O)c3ccnc(c3)-c3cnn(C)c3)[nH]c2c1

BDBM525461

CC(C)(O)Cn1c2ccc(CCO)cc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1

BDBM525462

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1CC(C)(C)O

BDBM50505836

CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1

BDBM525464

CC(C)N1CCN(CC1)c1ccc2n(CC(C)(C)O)\c(=N\C(=O)c3ccnc(c3)-c3cccnc3)[nH]c2c1

BDBM525465

COCCCNc1ccc2n(CC(C)(C)O)\c(=N\C(=O)c3ccnc(c3)-c3cccnc3)[nH]c2c1

BDBM525466

CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccn2cnnc12

BDBM525467

CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn2cccnc12

BDBM525468

CN(C)Cc1cccc(c1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O

BDBM525469

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O

BDBM525470

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1 |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,)|

BDBM525471

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:26.29,29.33,(1.75,-1.74,;2.52,-.4,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,;4.83,.93,;4.06,2.26,;2.52,2.26,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;.21,3.6,;-.56,4.93,;-.56,2.26,;-2.1,2.26,;-3.01,3.51,;-4.47,3.03,;-5.8,3.8,;-7.14,3.03,;-7.14,1.49,;-5.8,.72,;-4.47,1.49,;-3.01,1.02,;-2.61,-.47,;-3.7,-1.56,;-3.3,-3.05,;-1.81,-3.44,;-1.41,-4.93,;-.72,-2.36,;-1.12,-.87,)|

BDBM525472

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(2.42,-1.74,;3.19,-.4,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;5.5,.93,;4.73,2.26,;3.19,2.26,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;.88,3.6,;.11,4.93,;.11,2.26,;-1.43,2.26,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,;-6.47,3.03,;-7.81,3.8,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,)|

BDBM525473

Cc1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3ccnc(c3)-c3cnn4cccnc34)[nH]c2c1 |r,wU:6.5,9.9,(-7.66,3.8,;-6.32,3.03,;-6.32,1.49,;-4.99,.72,;-3.66,1.49,;-2.19,1.02,;-1.79,-.47,;-2.88,-1.56,;-2.48,-3.05,;-1,-3.44,;-.6,-4.93,;.09,-2.36,;-.31,-.87,;-1.29,2.26,;.25,2.26,;1.02,3.6,;.25,4.93,;2.56,3.6,;3.33,4.93,;4.87,4.93,;5.64,3.6,;4.87,2.26,;3.33,2.26,;5.64,.93,;7.18,.93,;7.66,-.53,;6.41,-1.44,;6.25,-2.97,;4.84,-3.6,;3.6,-2.69,;3.76,-1.16,;5.17,-.53,;-2.19,3.51,;-3.66,3.03,;-4.99,3.8,)|

BDBM525474

CN(C)Cc1cccc(c1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:29.32,32.36,(4.73,-5.33,;5.5,-4,;7.04,-4,;4.73,-2.67,;5.5,-1.33,;7.04,-1.33,;7.81,,;7.04,1.33,;5.5,1.33,;4.73,,;4.73,2.67,;3.19,2.67,;2.42,4,;3.19,5.33,;4.73,5.33,;5.5,4,;.88,4,;.11,5.33,;.11,2.67,;-1.43,2.67,;-2.34,3.91,;-3.8,3.44,;-5.14,4.21,;-6.47,3.44,;-7.81,4.21,;-6.47,1.9,;-5.14,1.13,;-3.8,1.9,;-2.34,1.42,;-1.94,-.07,;-3.03,-1.15,;-2.63,-2.64,;-1.14,-3.04,;-.75,-4.53,;-.06,-1.95,;-.45,-.46,)|

BDBM525475

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@@H](O)C1 |r|

BDBM525476

Cc1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3ccnc(c3)-c3ccccc3)[nH]c2c1 |r,wU:6.5,9.9,(-7.81,3.8,;-6.47,3.03,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,;-1.43,2.26,;.11,2.26,;.88,3.6,;.11,4.93,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;4.73,2.26,;3.19,2.26,;5.5,.93,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,)|

BDBM525477

CN(C)Cc1cccc(c1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:28.31,31.35,(4.06,-5.33,;4.83,-4,;6.37,-4,;4.06,-2.67,;4.83,-1.33,;6.37,-1.33,;7.14,,;6.37,1.33,;4.83,1.33,;4.06,,;4.06,2.67,;2.52,2.67,;1.75,4,;2.52,5.33,;4.06,5.33,;4.83,4,;.21,4,;-.56,5.33,;-.56,2.67,;-2.1,2.67,;-3.01,3.91,;-4.47,3.44,;-5.8,4.21,;-7.14,3.44,;-7.14,1.9,;-5.8,1.13,;-4.47,1.9,;-3.01,1.42,;-2.61,-.07,;-3.7,-1.15,;-3.3,-2.64,;-1.81,-3.04,;-1.41,-4.53,;-.72,-1.95,;-1.12,-.46,)|

BDBM525478

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn2cccnc12 |r,wU:4.7,1.0,(-1.27,-4.93,;-1.66,-3.44,;-3.15,-3.05,;-3.55,-1.56,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-2.86,1.02,;-4.32,1.49,;-5.66,.72,;-6.99,1.49,;-6.99,3.03,;-5.66,3.8,;-4.32,3.03,;-2.86,3.51,;-1.95,2.26,;-.41,2.26,;.36,3.6,;-.41,4.93,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;4.21,2.26,;2.67,2.26,;4.98,.93,;6.52,.93,;6.99,-.53,;5.75,-1.44,;5.58,-2.97,;4.18,-3.6,;2.93,-2.69,;3.09,-1.16,;4.5,-.53,)|

BDBM525479

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525480

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@@H](O)C1 |r|

BDBM525481

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525483

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CCC[C@H](O)C1 |r|

BDBM525484

CC(C)(O)Cn1c2ccc(CC(=O)N3CCCCC3)cc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1

BDBM525485

Cn1cc(cn1)-c1cc(cc(F)n1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(7.08,-4.73,;7.08,-3.19,;5.83,-2.28,;6.31,-.82,;7.85,-.82,;8.33,-2.28,;5.54,.52,;4,.52,;3.23,1.85,;4,3.19,;5.54,3.19,;6.31,4.52,;6.31,1.85,;1.69,1.85,;.92,3.19,;.92,.52,;-.62,.52,;-1.53,1.76,;-2.99,1.29,;-4.32,2.06,;-5.66,1.29,;-6.99,2.06,;-6.99,3.6,;-5.66,4.37,;-5.66,5.91,;-6.99,6.68,;-8.33,5.91,;-8.33,4.37,;-5.66,-.25,;-4.32,-1.02,;-2.99,-.25,;-1.53,-.73,;-1.13,-2.22,;-2.22,-3.3,;-1.82,-4.79,;-.33,-5.19,;.07,-6.68,;.76,-4.1,;.36,-2.61,)|

BDBM525486

Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:26.29,29.33,(5.75,-4.31,;5.75,-2.77,;4.5,-1.87,;4.98,-.4,;6.52,-.4,;6.99,-1.87,;4.21,.93,;2.67,.93,;1.9,2.26,;2.67,3.6,;4.21,3.6,;4.98,2.26,;4.98,4.93,;5.75,6.27,;.36,2.26,;-.41,3.6,;-.41,.93,;-1.95,.93,;-2.86,2.18,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-6.99,.16,;-5.66,-.61,;-4.32,.16,;-2.86,-.32,;-2.46,-1.8,;-3.55,-2.89,;-3.15,-4.38,;-1.66,-4.78,;-1.27,-6.27,;-.57,-3.69,;-.97,-2.2,)|

BDBM525489

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1F |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,;7.14,2.26,)|

BDBM525490

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.98,5.6,;4.21,4.26,;2.67,4.26,;1.9,2.93,;2.67,1.6,;4.21,1.6,;4.98,2.93,;4.98,.26,;6.52,.26,;6.99,-1.2,;5.75,-2.11,;5.75,-3.65,;4.5,-1.2,;.36,2.93,;-.41,4.26,;-.41,1.6,;-1.95,1.6,;-2.86,2.84,;-4.32,2.37,;-5.66,3.14,;-6.99,2.37,;-6.99,.83,;-5.66,.06,;-4.32,.83,;-2.86,.35,;-2.46,-1.14,;-3.55,-2.22,;-3.15,-3.71,;-1.66,-4.11,;-1.27,-5.6,;-.57,-3.02,;-.97,-1.53,)|

BDBM525491

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)[C@H](O)C1 |r|

BDBM525492

Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(8.41,-4.31,;8.41,-2.77,;7.17,-1.87,;7.64,-.4,;9.18,-.4,;9.66,-1.87,;6.87,.93,;5.33,.93,;4.56,2.26,;5.33,3.6,;6.87,3.6,;7.64,2.26,;7.64,4.93,;8.41,6.27,;3.02,2.26,;2.25,3.6,;2.25,.93,;.71,.93,;-.19,2.18,;-1.66,1.7,;-2.99,2.47,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-8.33,2.47,;-9.66,1.7,;-9.66,.16,;-8.33,-.61,;-6.99,.16,;-4.32,.16,;-2.99,-.61,;-1.66,.16,;-.19,-.32,;.21,-1.8,;-.88,-2.89,;-.48,-4.38,;1,-4.78,;1.4,-6.27,;2.09,-3.69,;1.69,-2.2,)|

BDBM525494

Cn1cc(cn1)-c1cc(cc(Cl)n1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(7.66,-1.97,;6.32,-1.2,;5.85,.26,;4.31,.26,;3.83,-1.2,;5.08,-2.11,;3.54,1.6,;2,1.6,;1.23,2.93,;2,4.26,;3.54,4.26,;4.31,5.6,;4.31,2.93,;-.31,2.93,;-1.08,4.26,;-1.08,1.6,;-2.62,1.6,;-3.53,2.84,;-4.99,2.37,;-6.32,3.14,;-7.66,2.37,;-7.66,.83,;-6.32,.06,;-4.99,.83,;-3.53,.35,;-3.13,-1.14,;-4.22,-2.22,;-3.82,-3.71,;-2.33,-4.11,;-1.93,-5.6,;-1.24,-3.02,;-1.64,-1.53,)|

BDBM525495

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@H]1CCC[C@@H](O)C1 |r|

BDBM525496

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)[C@H](O)C1 |r|

BDBM525497

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1coc2cccnc12 |r,wU:4.7,1.0,(-1.27,-4.93,;-1.66,-3.44,;-3.15,-3.05,;-3.55,-1.56,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-2.86,1.02,;-4.32,1.49,;-5.66,.72,;-6.99,1.49,;-6.99,3.03,;-5.66,3.8,;-4.32,3.03,;-2.86,3.51,;-1.95,2.26,;-.41,2.26,;.36,3.6,;-.41,4.93,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;4.21,2.26,;2.67,2.26,;4.98,.93,;6.52,.93,;6.99,-.53,;5.75,-1.44,;5.58,-2.97,;4.18,-3.6,;2.93,-2.69,;3.09,-1.16,;4.5,-.53,)|

BDBM525498

COc1ccc(F)cc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(.98,-1.74,;1.75,-.4,;3.29,-.4,;4.06,-1.74,;5.6,-1.74,;6.37,-.4,;7.91,-.4,;5.6,.93,;4.06,.93,;3.29,2.26,;1.75,2.26,;.98,3.6,;1.75,4.93,;3.29,4.93,;4.06,3.6,;-.56,3.6,;-1.33,4.93,;-1.33,2.26,;-2.87,2.26,;-3.78,3.51,;-5.24,3.03,;-6.57,3.8,;-7.91,3.03,;-7.91,1.49,;-6.57,.72,;-5.24,1.49,;-3.78,1.02,;-3.38,-.47,;-4.47,-1.56,;-4.07,-3.05,;-2.58,-3.44,;-2.18,-4.93,;-1.49,-2.36,;-1.89,-.87,)|

BDBM525499

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(ccc2n1CC(C)(C)O)C1CCN(C1)C(C)=O

BDBM525500

Cc1cccc(c1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.06,-3.07,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,;4.83,.93,;4.06,-.4,;4.06,2.26,;2.52,2.26,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;.21,3.6,;-.56,4.93,;-.56,2.26,;-2.1,2.26,;-3.01,3.51,;-4.47,3.03,;-5.8,3.8,;-7.14,3.03,;-7.14,1.49,;-5.8,.72,;-4.47,1.49,;-3.01,1.02,;-2.61,-.47,;-3.7,-1.56,;-3.3,-3.05,;-1.81,-3.44,;-1.41,-4.93,;-.72,-2.36,;-1.12,-.87,)|

BDBM525501

COc1c(C)cccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(1.75,-1.74,;2.52,-.4,;4.06,-.4,;4.83,-1.74,;4.06,-3.07,;6.37,-1.74,;7.14,-.4,;6.37,.93,;4.83,.93,;4.06,2.26,;2.52,2.26,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;.21,3.6,;-.56,4.93,;-.56,2.26,;-2.1,2.26,;-3.01,3.51,;-4.47,3.03,;-5.8,3.8,;-7.14,3.03,;-7.14,1.49,;-5.8,.72,;-4.47,1.49,;-3.01,1.02,;-2.61,-.47,;-3.7,-1.56,;-3.3,-3.05,;-1.81,-3.44,;-1.41,-4.93,;-.72,-2.36,;-1.12,-.87,)|

BDBM525502

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccccc1OC(F)F |r,wU:4.7,1.0,(-2.57,-4.93,;-2.97,-3.44,;-4.45,-3.05,;-4.85,-1.56,;-3.76,-.47,;-2.28,-.87,;-1.88,-2.36,;-4.16,1.02,;-5.63,1.49,;-6.96,.72,;-8.29,1.49,;-8.29,3.03,;-6.96,3.8,;-5.63,3.03,;-4.16,3.51,;-3.26,2.26,;-1.72,2.26,;-.95,3.6,;-1.72,4.93,;.59,3.6,;1.36,4.93,;2.9,4.93,;3.67,3.6,;2.9,2.26,;1.36,2.26,;3.67,.93,;2.9,-.4,;3.67,-1.74,;5.21,-1.74,;5.98,-.4,;5.21,.93,;5.98,2.26,;7.52,2.26,;8.29,.93,;8.29,3.6,)|

BDBM525503

COc1ccncc1-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:28.31,31.35,(6.37,2.26,;7.14,.93,;6.37,-.4,;7.14,-1.74,;6.37,-3.07,;4.83,-3.07,;4.06,-1.74,;4.83,-.4,;4.06,.93,;2.52,.93,;1.75,2.26,;2.52,3.6,;4.06,3.6,;4.83,2.26,;4.83,4.93,;5.6,6.27,;.21,2.26,;-.56,3.6,;-.56,.93,;-2.1,.93,;-3.01,2.18,;-4.47,1.7,;-5.8,2.47,;-7.14,1.7,;-7.14,.16,;-5.8,-.61,;-4.47,.16,;-3.01,-.32,;-2.61,-1.8,;-3.7,-2.89,;-3.3,-4.38,;-1.81,-4.78,;-1.41,-6.27,;-.72,-3.69,;-1.12,-2.2,)|

BDBM525504

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1COC[C@H](O)C1 |r|

BDBM525505

COc1cc(F)ccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(6.37,3.6,;7.14,2.26,;6.37,.93,;7.14,-.4,;6.37,-1.74,;7.14,-3.07,;4.83,-1.74,;4.06,-.4,;4.83,.93,;4.06,2.26,;2.52,2.26,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;.21,3.6,;-.56,4.93,;-.56,2.26,;-2.1,2.26,;-3.01,3.51,;-4.47,3.03,;-5.8,3.8,;-7.14,3.03,;-7.14,1.49,;-5.8,.72,;-4.47,1.49,;-3.01,1.02,;-2.61,-.47,;-3.7,-1.56,;-3.3,-3.05,;-1.81,-3.44,;-1.41,-4.93,;-.72,-2.36,;-1.12,-.87,)|

BDBM525506

Cn1cc(cn1)-c1cc(cc(n1)C#C)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:26.29,29.33,(5.75,-4.31,;5.75,-2.77,;4.5,-1.87,;4.98,-.4,;6.52,-.4,;6.99,-1.87,;4.21,.93,;2.67,.93,;1.9,2.26,;2.67,3.6,;4.21,3.6,;4.98,2.26,;4.98,4.93,;5.75,6.27,;.36,2.26,;-.41,3.6,;-.41,.93,;-1.95,.93,;-2.86,2.18,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-6.99,.16,;-5.66,-.61,;-4.32,.16,;-2.86,-.32,;-2.46,-1.8,;-3.55,-2.89,;-3.15,-4.38,;-1.66,-4.78,;-1.27,-6.27,;-.57,-3.69,;-.97,-2.2,)|

BDBM525507

COc1c(F)cccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(5.6,3.6,;6.37,2.26,;5.6,.93,;6.37,-.4,;7.91,-.4,;5.6,-1.74,;4.06,-1.74,;3.29,-.4,;4.06,.93,;3.29,2.26,;1.75,2.26,;.98,3.6,;1.75,4.93,;3.29,4.93,;4.06,3.6,;-.56,3.6,;-1.33,4.93,;-1.33,2.26,;-2.87,2.26,;-3.78,3.51,;-5.24,3.03,;-6.57,3.8,;-7.91,3.03,;-7.91,1.49,;-6.57,.72,;-5.24,1.49,;-3.78,1.02,;-3.38,-.47,;-4.47,-1.56,;-4.07,-3.05,;-2.58,-3.44,;-2.18,-4.93,;-1.49,-2.36,;-1.89,-.87,)|

BDBM525508

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccncc1 |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,)|

BDBM525509

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccn2ncnc12 |r,wU:4.7,1.0,(-2.25,-4.93,;-2.64,-3.44,;-4.13,-3.05,;-4.53,-1.56,;-3.44,-.47,;-1.95,-.87,;-1.56,-2.36,;-3.84,1.02,;-5.3,1.49,;-6.64,.72,;-7.97,1.49,;-7.97,3.03,;-6.64,3.8,;-5.3,3.03,;-3.84,3.51,;-2.94,2.26,;-1.4,2.26,;-.63,3.6,;-1.4,4.93,;.91,3.6,;1.68,4.93,;3.22,4.93,;3.99,3.6,;3.22,2.26,;1.68,2.26,;3.99,.93,;3.22,-.4,;3.99,-1.74,;5.53,-1.74,;6.3,-.4,;7.81,-.08,;7.97,1.45,;6.57,2.08,;5.53,.93,)|

BDBM525511

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccc(F)cc1F |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-3.07,;7.14,-.4,;6.37,.93,;7.14,2.26,)|

BDBM525512

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525513

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1F |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;6.37,.93,;7.14,-.4,;6.37,-1.74,;4.83,-1.74,;4.06,-.4,;2.52,-.4,)|

BDBM525514

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(CCCO)ccc2n1CC(C)(C)O

BDBM525515

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccc(F)c1 |r,wU:4.7,1.0,(-2.18,-4.93,;-2.58,-3.44,;-4.07,-3.05,;-4.47,-1.56,;-3.38,-.47,;-1.89,-.87,;-1.49,-2.36,;-3.78,1.02,;-5.24,1.49,;-6.57,.72,;-7.91,1.49,;-7.91,3.03,;-6.57,3.8,;-5.24,3.03,;-3.78,3.51,;-2.87,2.26,;-1.33,2.26,;-.56,3.6,;-1.33,4.93,;.98,3.6,;1.75,4.93,;3.29,4.93,;4.06,3.6,;3.29,2.26,;1.75,2.26,;4.06,.93,;3.29,-.4,;4.06,-1.74,;5.6,-1.74,;6.37,-.4,;7.91,-.4,;5.6,.93,)|

BDBM525516

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(ccc2n1CC(C)(C)O)C1CCCN(C1)C(C)=O

BDBM525517

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1COC[C@@H](O)C1 |r|

BDBM525518

COc1ccncc1-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:35.39,38.43,(9.24,.52,;7.7,.52,;6.93,-.82,;7.7,-2.15,;6.93,-3.48,;5.39,-3.48,;4.62,-2.15,;5.39,-.82,;4.62,.52,;3.08,.52,;2.31,1.85,;3.08,3.19,;4.62,3.19,;5.39,1.85,;5.39,4.52,;6.16,5.85,;.77,1.85,;0,3.19,;0,.52,;-1.54,.52,;-2.44,1.76,;-3.91,1.29,;-5.24,2.06,;-6.57,1.29,;-7.91,2.06,;-7.91,3.6,;-6.57,4.37,;-6.57,5.91,;-7.91,6.68,;-9.24,5.91,;-9.24,4.37,;-6.57,-.25,;-5.24,-1.02,;-3.91,-.25,;-2.44,-.73,;-2.04,-2.22,;-3.13,-3.3,;-2.73,-4.79,;-1.25,-5.19,;-.85,-6.68,;-.16,-4.1,;-.56,-2.61,)|

BDBM525519

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(6.31,4.52,;5.54,3.19,;4,3.19,;3.23,1.85,;4,.52,;5.54,.52,;6.31,1.85,;6.31,-.82,;7.85,-.82,;8.33,-2.28,;7.08,-3.19,;7.08,-4.73,;5.83,-2.28,;1.69,1.85,;.92,3.19,;.92,.52,;-.62,.52,;-1.53,1.76,;-2.99,1.29,;-4.32,2.06,;-5.66,1.29,;-6.99,2.06,;-6.99,3.6,;-5.66,4.37,;-5.66,5.91,;-6.99,6.68,;-8.33,5.91,;-8.33,4.37,;-5.66,-.25,;-4.32,-1.02,;-2.99,-.25,;-1.53,-.73,;-1.13,-2.22,;-2.22,-3.3,;-1.82,-4.79,;-.33,-5.19,;.07,-6.68,;.76,-4.1,;.36,-2.61,)|

BDBM525520

COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)[C@@H](O)C1 |r|

BDBM525521

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(CC#N)ccc2n1CC(C)(C)O

BDBM525522

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn2CC(F)(F)COc12 |r,wU:4.7,1.0,(-1.27,-4.93,;-1.66,-3.44,;-3.15,-3.05,;-3.55,-1.56,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-2.86,1.02,;-4.32,1.49,;-5.66,.72,;-6.99,1.49,;-6.99,3.03,;-5.66,3.8,;-4.32,3.03,;-2.86,3.51,;-1.95,2.26,;-.41,2.26,;.36,3.6,;-.41,4.93,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;4.21,2.26,;2.67,2.26,;4.98,.93,;6.52,.93,;6.99,-.53,;5.75,-1.44,;5.58,-2.97,;4.18,-3.6,;3.41,-4.93,;4.95,-4.93,;2.93,-2.69,;3.09,-1.16,;4.5,-.53,)|

BDBM525523

O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn(c1)C(F)F |r,wU:4.7,1.0,(-2.55,-4.93,;-2.95,-3.44,;-4.44,-3.05,;-4.84,-1.56,;-3.75,-.47,;-2.26,-.87,;-1.86,-2.36,;-4.15,1.02,;-5.61,1.49,;-6.95,.72,;-8.28,1.49,;-8.28,3.03,;-6.95,3.8,;-5.61,3.03,;-4.15,3.51,;-3.24,2.26,;-1.7,2.26,;-.93,3.6,;-1.7,4.93,;.61,3.6,;1.38,4.93,;2.92,4.93,;3.69,3.6,;2.92,2.26,;1.38,2.26,;3.69,.93,;3.21,-.53,;4.46,-1.44,;5.7,-.53,;5.23,.93,;7.19,-.93,;8.28,.16,;7.59,-2.42,)|

BDBM525524

CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3cc(nc(c3)-c3cnn(C)c3)C#N)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;8.31,4.9,;9.08,6.24,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|

BDBM525525

Cn1ncc(c1Cl)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(5.75,-2.98,;5.75,-1.44,;6.99,-.53,;6.52,.93,;4.98,.93,;4.5,-.53,;3.17,-1.3,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-3.55,-1.56,;-3.15,-3.05,;-1.66,-3.44,;-1.27,-4.93,;-.57,-2.36,;-.97,-.87,)|

BDBM525526

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525528

CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3cc(C)nc(c3)-c3cnn(C)c3)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,4.9,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|

BDBM525529

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1C[C@@H](O)C[C@@H](O)C1 |r|

BDBM525530

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1C[C@@H](O)C[C@@H](O)C1 |r|

BDBM525531

CN1CCN(Cc2ccc3n([C@H]4CCC[C@H](O)C4)\c(=N\C(=O)c4cc(C)nc(c4)-c4cnn(C)c4)[nH]c3c2)CC1 |r|

BDBM525532

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525533

Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CCC[C@H](O)C1 |r|

BDBM525534

Cn1cc(cn1)-c1cc(cc(N)n1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.48,-3.56,;5.25,-2.23,;4.35,-.98,;5.25,.26,;6.72,-.21,;6.72,-1.75,;4.48,1.6,;2.94,1.6,;2.17,2.93,;2.94,4.26,;4.48,4.26,;5.25,5.6,;5.25,2.93,;.63,2.93,;-.14,4.26,;-.14,1.6,;-1.68,1.6,;-2.58,2.84,;-4.05,2.37,;-5.38,3.14,;-6.72,2.37,;-6.72,.83,;-5.38,.06,;-4.05,.83,;-2.58,.35,;-2.19,-1.14,;-3.27,-2.22,;-2.88,-3.71,;-1.39,-4.11,;-.99,-5.6,;-.3,-3.02,;-.7,-1.53,)|

BDBM525535

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1C1CCCS(=O)(=O)C1

BDBM525536

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1CC(C)(C)O

BDBM525537

CN1CCN(Cc2ccc3[nH]\c(=N/C(=O)c4cc(C)nc(c4)-c4cnn(C)c4)n(CC(C)(C)O)c3c2)CC1

BDBM525538

CNc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:26.29,29.33,(4.48,6.27,;5.25,4.93,;4.48,3.6,;2.94,3.6,;2.17,2.26,;2.94,.93,;4.48,.93,;5.25,2.26,;5.25,-.4,;6.72,-.88,;6.72,-2.42,;5.25,-2.89,;4.48,-4.23,;4.35,-1.65,;.63,2.26,;-.14,3.6,;-.14,.93,;-1.68,.93,;-2.58,2.18,;-4.05,1.7,;-5.38,2.47,;-6.72,1.7,;-6.72,.16,;-5.38,-.61,;-4.05,.16,;-2.58,-.32,;-2.19,-1.8,;-3.27,-2.89,;-2.88,-4.38,;-1.39,-4.78,;-.99,-6.27,;-.3,-3.69,;-.7,-2.2,)|

BDBM525539

Cn1cc(cn1)-c1cc(cc(CF)n1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:26.29,29.33,(6.76,-1.95,;5.99,-.61,;4.52,-.14,;4.52,1.4,;5.99,1.88,;6.89,.63,;3.19,2.17,;1.86,1.4,;.52,2.17,;.52,3.71,;1.86,4.48,;1.86,6.02,;3.19,6.79,;3.19,3.71,;-.81,1.4,;-2.15,2.17,;-.81,-.14,;-2.15,-.91,;-3.55,-.28,;-4.58,-1.42,;-6.12,-1.42,;-6.89,-2.76,;-6.12,-4.09,;-4.58,-4.09,;-3.81,-2.76,;-2.31,-2.44,;-1.22,-3.53,;-1.62,-5.01,;-.53,-6.1,;.96,-5.7,;2.05,-6.79,;1.36,-4.22,;.27,-3.13,)|

BDBM525540

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1C1CCCS(=O)(=O)C1

BDBM525541

CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3ccnc(c3)-c3cnn(C)c3)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|

BDBM525542

Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1C1CCCS(=O)C1

BDBM525543

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1C1CCCCC1

BDBM525544

CN1CCN(Cc2ccc3[nH]\c(=N/C(=O)c4cc(C)nc(c4)-c4cnn(C)c4)n([C@@H]4CC[C@H](O)CC4)c3c2)CC1 |r,wU:29.30,32.34,(-9.97,-5.04,;-8.43,-5.04,;-7.66,-3.71,;-6.12,-3.71,;-5.35,-5.04,;-3.81,-5.04,;-3.04,-3.71,;-3.81,-2.37,;-3.04,-1.04,;-1.5,-1.04,;-.47,.11,;.93,-.52,;2.27,.25,;2.27,1.79,;.93,2.56,;3.6,2.56,;3.6,4.1,;4.94,4.87,;4.94,6.41,;6.27,4.1,;6.27,2.56,;4.94,1.79,;7.6,1.79,;9.07,2.26,;9.97,1.02,;9.07,-.23,;9.84,-1.56,;7.6,.25,;.77,-2.05,;1.86,-3.14,;1.46,-4.63,;2.55,-5.72,;4.04,-5.32,;5.13,-6.41,;4.44,-3.83,;3.35,-2.74,;-.73,-2.37,;-1.5,-3.71,;-6.12,-6.37,;-7.66,-6.37,)|

BDBM525545

Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(4.17,6.41,;4.17,4.87,;2.83,4.1,;2.83,2.56,;4.17,1.79,;5.5,2.56,;5.5,4.1,;6.83,1.79,;8.3,2.26,;9.2,1.02,;8.3,-.23,;9.07,-1.56,;6.83,.25,;1.5,1.79,;.16,2.56,;1.5,.25,;.16,-.52,;-1.24,.11,;-2.27,-1.04,;-3.81,-1.04,;-4.58,-2.37,;-3.81,-3.71,;-4.58,-5.04,;-6.12,-5.04,;-6.89,-3.71,;-8.43,-3.71,;-9.2,-5.04,;-8.43,-6.37,;-6.89,-6.37,;-2.27,-3.71,;-1.5,-2.37,;0,-2.05,;1.09,-3.14,;.69,-4.63,;1.78,-5.72,;3.27,-5.32,;4.36,-6.41,;3.67,-3.83,;2.58,-2.74,)|

BDBM525546

CN1CCN(Cc2ccc3[nH]\c(=N/C(=O)c4cc(C)nc(c4)-c4cnn(C)c4)n(C4CCCCC4)c3c2)CC1

BDBM525547

CN1CCC(CC1)c1ccc2[nH]\c(=N/C(=O)c3cc(C)nc(c3)-c3cnn(C)c3)n([C@@H]3CC[C@H](O)CC3)c2c1 |r,wU:30.32,33.36,(-9.66,-2.25,;-8.33,-1.48,;-8.33,.06,;-6.99,.83,;-5.66,.06,;-5.66,-1.48,;-6.99,-2.25,;-4.32,.83,;-4.32,2.37,;-2.99,3.14,;-1.66,2.37,;-.19,2.84,;.71,1.6,;2.25,1.6,;3.02,2.93,;2.25,4.26,;4.56,2.93,;5.33,4.26,;6.87,4.26,;7.64,5.6,;7.64,2.93,;6.87,1.6,;5.33,1.6,;7.64,.26,;9.18,.26,;9.66,-1.2,;8.41,-2.11,;8.41,-3.65,;7.17,-1.2,;-.19,.35,;.21,-1.14,;-.88,-2.22,;-.48,-3.71,;1,-4.11,;1.4,-5.6,;2.09,-3.02,;1.69,-1.53,;-1.66,.83,;-2.99,.06,)|

BDBM50505843

CC(C)(O)Cn1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cccnc1