314 SMILES Strings for GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049]

Compound Name
SMILES String
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
CCC1(CC1)n1cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc2cc1=O |r|
COCC1(CC1)n1cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc2cc1=O |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)c1ccncc1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)c1ccccc1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)c1ccc(F)cc1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H](C)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1C[C@H](F)C1)c1cccc(C(F)F)c1F |r,wU:17.19,wD:15.16,1.0,(-4.28,-1.15,;-2.94,-.38,;-1.61,-1.15,;-1.61,-2.69,;-2.94,-3.47,;-2.94,-5,;-4.28,-5.78,;-1.61,-5.78,;-.28,-5,;1.06,-5.78,;2.39,-5,;3.72,-5.78,;2.39,-3.47,;1.06,-2.69,;-.28,-3.47,;3.72,-2.69,;5.21,-3.09,;5.61,-1.61,;6.94,-.84,;4.12,-1.21,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-2.94,4.23,;-4.28,3.47,;-5.61,4.23,;-5.61,5.78,;-6.94,3.47,;-4.28,1.93,;-5.61,1.15,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CC(F)(F)C1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC(F)(F)C1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(C1)(C2)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)(C2)C(=O)N(C)C)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CC1)c1cccc(c1)C(F)(F)F |r|
CC(C)n1cc2c(N[C@H](C)c3cccc(c3)C(F)(F)F)nc(C)nc2cc1=O |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCCCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCC(F)(F)CC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@@H]1[C@H]2COC[C@@H]12)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@@H]1CCOC1)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1CCOC1)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CCOCC1)c1ccccc1)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@@H]1[C@H]2COC[C@@H]12)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1C[C@H](O)C1)c1cccc(c1C)C(F)(F)F |r,wU:15.16,wD:1.0,17.19,(-4.28,-1.15,;-2.94,-.38,;-1.61,-1.15,;-1.61,-2.69,;-2.94,-3.47,;-2.94,-5,;-4.28,-5.78,;-1.61,-5.78,;-.28,-5,;1.06,-5.78,;2.39,-5,;3.72,-5.78,;2.39,-3.47,;1.06,-2.69,;-.28,-3.47,;3.72,-2.69,;4.12,-1.21,;5.61,-1.61,;6.94,-.84,;5.21,-3.09,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-2.94,4.23,;-4.28,3.47,;-4.28,1.93,;-5.61,1.16,;-5.61,4.23,;-5.61,5.78,;-6.94,3.47,;-6.94,5,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@@H]1C[C@H](O)C1)c1cccc(c1C)C(F)(F)F |r,wU:15.16,17.19,wD:1.0,(-4.28,-1.15,;-2.94,-.38,;-1.61,-1.15,;-1.61,-2.69,;-2.94,-3.47,;-2.94,-5,;-4.28,-5.78,;-1.61,-5.78,;-.28,-5,;1.06,-5.78,;2.39,-5,;3.72,-5.78,;2.39,-3.47,;1.06,-2.69,;-.28,-3.47,;3.72,-2.69,;5.21,-3.09,;5.61,-1.61,;6.94,-.84,;4.12,-1.21,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-2.94,4.23,;-4.28,3.47,;-4.28,1.93,;-5.61,1.16,;-5.61,4.23,;-5.61,5.78,;-6.94,3.47,;-6.94,5,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1C[C@H](O)C1)c1cccc(c1C)C(F)(F)F |r,wU:17.19,wD:1.0,(-4.28,-1.15,;-2.94,-.38,;-1.61,-1.15,;-1.61,-2.69,;-2.94,-3.47,;-2.94,-5,;-4.28,-5.78,;-1.61,-5.78,;-.28,-5,;1.06,-5.78,;2.39,-5,;3.72,-5.78,;2.39,-3.47,;1.06,-2.69,;-.28,-3.47,;3.72,-2.69,;5.21,-3.09,;5.61,-1.61,;6.94,-.84,;4.12,-1.21,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-2.94,4.23,;-4.28,3.47,;-4.28,1.93,;-5.61,1.16,;-5.61,4.23,;-5.61,5.78,;-6.94,3.47,;-6.94,5,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC(F)(F)C1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1C[C@@](O)(C1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r,wU:15.16,17.19,wD:1.0,17.22,(-5.1,-1.15,;-3.76,-.38,;-2.43,-1.15,;-2.43,-2.69,;-3.76,-3.47,;-3.76,-5,;-5.1,-5.78,;-2.43,-5.78,;-1.1,-5,;.24,-5.78,;1.57,-5,;2.9,-5.78,;1.57,-3.47,;.24,-2.69,;-1.1,-3.47,;2.9,-2.69,;3.3,-1.21,;4.79,-1.61,;5.19,-.12,;4.39,-3.09,;6.28,-2,;7.37,-.92,;6.68,-3.49,;7.77,-2.4,;-3.76,1.15,;-2.43,1.93,;-2.43,3.47,;-3.76,4.23,;-5.1,3.47,;-5.1,1.93,;-6.43,1.16,;-6.43,4.23,;-6.43,5.78,;-7.77,3.47,;-7.77,5,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@H]1C[C@](O)(C1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r,wU:15.16,17.22,wD:1.0,17.19,(-5.1,-1.15,;-3.76,-.38,;-2.43,-1.15,;-2.43,-2.69,;-3.76,-3.47,;-3.76,-5,;-5.1,-5.78,;-2.43,-5.78,;-1.1,-5,;.24,-5.78,;1.57,-5,;2.9,-5.78,;1.57,-3.47,;.24,-2.69,;-1.1,-3.47,;2.9,-2.69,;3.3,-1.21,;4.79,-1.61,;5.19,-.12,;4.39,-3.09,;6.28,-2,;7.37,-.92,;6.68,-3.49,;7.77,-2.4,;-3.76,1.15,;-2.43,1.93,;-2.43,3.47,;-3.76,4.23,;-5.1,3.47,;-5.1,1.93,;-6.43,1.16,;-6.43,4.23,;-6.43,5.78,;-7.77,3.47,;-7.77,5,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)(F)F)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc(c1F)C(F)(F)CO |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(CC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1CC11CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)[C@H]1C[C@H](F)C1)c1cccc(C(F)F)c1F |r,wU:16.18,wD:14.15,1.0,(-4.28,-1.16,;-2.94,-.39,;-1.61,-1.16,;-1.61,-2.7,;-2.94,-3.47,;-2.94,-5.01,;-1.61,-5.78,;-.28,-5.01,;1.06,-5.78,;2.39,-5.01,;3.72,-5.78,;2.39,-3.47,;1.06,-2.7,;-.28,-3.47,;3.72,-2.7,;5.21,-3.09,;5.61,-1.61,;6.94,-.84,;4.12,-1.21,;-2.94,1.15,;-1.61,1.92,;-1.61,3.46,;-2.94,4.23,;-4.28,3.46,;-5.61,4.23,;-6.94,3.46,;-5.61,5.78,;-4.28,1.92,;-5.61,1.15,)|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(CCOC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CCC(F)(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CF)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)[C@H]1C[C@@H]1C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)[C@H]1C[C@H](F)C1)c1cccc(C(F)F)c1F |r,wU:16.17,wD:1.0,18.20,(-4.28,-.38,;-2.94,.38,;-1.61,-.38,;-1.61,-1.93,;-2.94,-2.69,;-2.94,-4.23,;-4.28,-5,;-1.61,-5,;-.28,-4.23,;1.06,-5,;1.06,-6.54,;2.39,-4.23,;3.72,-5,;2.39,-2.69,;1.06,-1.93,;-.28,-2.69,;3.72,-1.93,;4.12,-.44,;5.61,-.84,;6.94,-.07,;5.21,-2.32,;-2.94,1.93,;-1.61,2.69,;-1.61,4.23,;-2.94,5,;-4.28,4.23,;-5.61,5,;-6.94,4.23,;-5.61,6.54,;-4.28,2.69,;-5.61,1.93,)|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)[C@@]1(CCOC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(F)(F)C(C)(C)O |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(F)(F)C(C)(C)O |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C12CC(C1)C2)c1cccc(c1F)C(F)(F)C(C)(C)O |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1F)C(F)(F)C(C)(C)O |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(F)(F)C1CCCO1 |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1)C(F)(F)C1CCCO1 |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(F)(F)[C@@H]1CCCO1 |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(F)(F)[C@@H]1CCCO1 |r|
C[C@@H](Nc1ncnc2c(F)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(c1)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc(CC(F)(F)F)c1 |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1OCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c1OCC2(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CC1)C(F)F)c1cccc2c(F)coc12 |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C1(C)CC1)c1cccc2C(=O)CCc12 |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CC(C1)C2)c1cccc2C(=O)CCc12 |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1ncnc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc2C(=O)CCc12 |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C(C)(C)C)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCOC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCOCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCCOC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCN(C)CC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)C2)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CCOC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@]1(CCOC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)[C@@]1(CCOC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(F)(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(O)(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCOC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)(CC2)C(=O)N(C)C)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCOC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CCOCC1)c1ccccc1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(CCOC1)C(F)(F)F)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C12CCC(CC1)CC2)c1cccc(c1F)C(F)(F)CO |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCC(O)(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)CC2)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)C12CCN(CC1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(C)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(CF)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(CC1)C(F)(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)[C@H]1C[C@@H]1C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)[C@@H]1C[C@H]1C(F)F)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1CC11CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)[C@H]1C[C@H](F)C1)c1cccc(C(F)F)c1F |r,wU:17.19,wD:1.0,15.16,(-4.28,-.38,;-2.94,.38,;-1.61,-.38,;-1.61,-1.93,;-2.94,-2.69,;-2.94,-4.23,;-1.61,-5,;-.28,-4.23,;1.06,-5,;1.06,-6.54,;2.39,-4.23,;3.72,-5,;2.39,-2.69,;1.06,-1.93,;-.28,-2.69,;3.72,-1.93,;5.21,-2.32,;5.61,-.84,;6.94,-.07,;4.12,-.44,;-2.94,1.93,;-1.61,2.69,;-1.61,4.23,;-2.94,5,;-4.28,4.23,;-5.61,5,;-6.94,4.23,;-5.61,6.54,;-4.28,2.69,;-5.61,1.93,)|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CC(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CCC(F)(CC1)CC2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)-c1cnn(C)c1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(C)CC1)c1cccc(c1)C(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(C)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C1(CF)CC1)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1F)C(C)(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CCC(CC1)C2)c1cccc2c1CCC2(F)F |r|
C[C@@H](Nc1ncnc2c(C)c(=O)n(cc12)C12CC(F)(C1)C2)c1cccc(c1F)C(F)(F)C(C)(C)O |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(Br)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCCCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCC(F)(F)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C3CC3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCN(CC1)C(=O)OC(C)(C)C)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(cc3)S(C)(=O)=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1C[C@H](C)O[C@H](C)C1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3cccnc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
COC1CCN(CC1)n1cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc2cc1=O |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccncc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CC2CC1CO2)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccccc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CC2(COC2)C1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(N)nc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCNCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(=O)[nH]c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCN(CC1)C(C)=O)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(F)nc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
CC(C)N1CCN(CC1)n1cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc2cc1=O |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc[nH]c3=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r,wD:1.0,(-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;2.67,-7.7,;1.33,-8.47,;,-7.7,;,-6.16,;-1.33,-5.39,;2.67,-3.08,;4,-3.85,;2.67,-1.54,;1.33,-.77,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4.1,5.41,;-5.44,6.16,;-6.76,5.38,;-5.46,7.7,;-4,3.85,;-5.33,3.08,)|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCN(CC1)C(=O)CO)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3cncnc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCN(CC1)C(=O)CC#N)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3cnn(CCO)c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCN(CC1)c1ccc(cn1)C#N)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(C3=CCOC3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r,t:10|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cc(N)cc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(C3=CCN(CC3)S(C)(=O)=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r,t:10|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(C(C)=C)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)(F)CO |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(cc3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1F)C(F)(F)F |r|
COc1ccc(cn1)-c1c2nc(C)nc(N[C@H](C)c3cccc(C(F)F)c3F)c2cn(N2CCOCC2)c1=O |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(C)nc3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(nc3)C(F)(F)F)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1C |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(nc3)S(C)(=O)=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
CC(Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)C1CC1
C[C@@H](Nc1nc(C)nc2c(-c3ccc(C#N)c(F)c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
CCC(Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)(F)F
C[C@@H](Nc1nc(C)nc2c(-c3ccc(F)c(c3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
CC(Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)F
C[C@@H](Nc1nc(C)nc2c(-c3cc(F)cc(c3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
Cc1nc(NCc2cccc(c2)C(F)(F)F)c2cn(N3CCOCC3)c(=O)cc2n1
C[C@@H](Nc1nc(C)nc2c(-c3cc(ccc3F)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r,wD:1.0,(-4,1.54,;-2.67,2.31,;-1.33,1.54,;-1.33,,;-2.67,-.77,;-2.67,-2.31,;-4,-3.08,;-1.33,-3.08,;,-2.31,;1.33,-3.08,;1.33,-4.62,;2.67,-5.39,;2.76,-6.95,;1.33,-7.7,;,-6.93,;,-5.39,;-1.33,-4.62,;4.1,-7.7,;5.45,-8.46,;2.67,-2.31,;4,-3.08,;2.67,-.77,;1.33,,;,-.77,;4,,;5.33,-.77,;6.67,,;6.67,1.54,;5.33,2.31,;4,1.54,;-2.67,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,6.93,;-4,6.16,;-5.33,6.93,;-6.67,6.16,;-5.33,8.47,;-4,4.62,;-5.33,3.85,)|
Cc1nc(NCc2ccc3cc[nH]c3c2)c2cn(N3CCOCC3)c(=O)cc2n1
C[C@@H](Nc1nc(C)nc2c(-c3cnc(nc3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
CC(Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1)c1cc(cc(c1)C(F)F)C(F)F
C[C@@H](Nc1nc(C)nc2c(-c3cnc(C#N)c(F)c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccnc(c3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(-c3cn(CC(F)F)cn3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)N1CCOCC1)c1cccc(c1F)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(-c3cnn(C)c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)(F)CO |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(nc3)P(C)(C)=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(F)c(=O)n(cc12)N1CCOCC1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc4nncn4c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N(C)C)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc4nccn4c3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccccn3)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCS(=O)(=O)CC1)c1cccc(C(F)F)c1F |r|
CC1=NC2=C(C(=O)N(C=C2C(=N1)N[C@H](C)c3cccc(c3F)C(F)F)N4CCOCC4)c5ccc(nc5)C#N
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCC(O)CC1)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(nc3)C#N)c(=O)n(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCCC1=O)c1cccc(C(F)F)c1F |r|
CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nc(C)nc2cc(=O)n(cc12)N1CCOCC1 |r|
C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)N1CCOC1=O)c1cccc(C(F)F)c1F |r|
C[C@@H](Nc1nc(C)nc2c(-c3ccc(nc3)C(O)=O)c(=O)n(cc12)N1CCOCC1)c1cccc(C(F)F)c1F |r|
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C[C@H](Oc1nc(-c2onc3c2CCC[C@@]32CCCc3sc(N)c(C#N)c32)nc2c1ncn2[C@@H]1CCOC1)[C@@H]1CCCN1C
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