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3 SMILES Strings for Kallikrein 2

Compound NameSMILES String
BDBM50292533 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
BDBM50326050 CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:78.83,3.3,38.39,59.61,16.24,wD:73.78,45.45,27.35,7.12,83.87,(16.62,-15.91,;15.28,-16.68,;13.95,-15.91,;15.28,-18.23,;13.95,-18.99,;12.61,-18.23,;12.61,-16.7,;11.28,-19,;11.28,-20.54,;12.61,-21.31,;12.61,-22.86,;13.93,-23.62,;13.94,-25.16,;9.95,-18.22,;8.61,-18.99,;8.61,-20.53,;7.28,-18.22,;7.28,-16.68,;8.61,-15.91,;9.95,-16.69,;11.28,-15.92,;11.29,-14.38,;9.95,-13.61,;8.62,-14.37,;5.94,-18.98,;4.6,-18.23,;4.6,-16.69,;3.27,-19,;3.27,-20.54,;4.6,-21.32,;4.6,-22.85,;5.94,-23.6,;5.94,-25.14,;4.6,-25.92,;7.27,-25.9,;1.95,-18.22,;.61,-18.99,;.61,-20.53,;-.72,-18.22,;-2.04,-18.97,;-.72,-16.68,;.62,-15.89,;16.62,-18.99,;16.62,-20.53,;17.95,-18.22,;19.28,-19,;19.28,-20.54,;20.56,-21.41,;22,-20.88,;22.94,-22.1,;22.08,-23.38,;22.45,-24.87,;21.33,-25.95,;19.85,-25.51,;19.48,-24.02,;20.6,-22.96,;20.61,-18.23,;20.61,-16.7,;21.95,-18.99,;23.29,-18.22,;23.29,-16.69,;24.51,-15.74,;25.76,-16.65,;27.01,-15.74,;26.53,-14.28,;27.29,-12.94,;26.53,-11.61,;24.99,-11.61,;24.21,-12.94,;24.98,-14.28,;24.62,-18.99,;24.62,-20.54,;25.96,-18.23,;27.29,-19,;27.29,-20.54,;28.62,-18.24,;28.62,-16.69,;29.96,-18.99,;31.29,-18.22,;31.29,-16.68,;32.63,-18.99,;32.63,-20.53,;33.96,-18.22,;35.3,-18.99,;35.3,-20.53,;36.63,-21.31,;37.97,-20.54,;39.3,-21.31,;39.3,-22.85,;37.96,-23.62,;36.63,-22.85,;36.63,-18.22,;37.97,-18.99,;36.63,-16.69,)|
BDBM50396163 CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(O)=O |r,wU:38.40,16.24,3.3,58.60,77.82,wD:27.35,7.12,44.44,72.77,(20.21,-46.05,;18.87,-46.82,;17.54,-46.05,;18.87,-48.35,;17.54,-49.12,;16.21,-48.35,;16.21,-46.81,;14.88,-49.12,;14.88,-50.66,;16.21,-51.43,;16.21,-52.97,;17.54,-53.74,;17.54,-55.29,;13.54,-48.35,;12.21,-49.12,;12.21,-50.66,;10.87,-48.35,;10.87,-46.81,;12.21,-46.04,;13.54,-46.81,;14.88,-46.04,;14.88,-44.5,;13.55,-43.73,;12.21,-44.5,;9.54,-49.11,;8.21,-48.34,;8.21,-46.81,;6.87,-49.11,;6.87,-50.65,;8.21,-51.42,;8.21,-52.97,;9.53,-53.73,;9.53,-55.28,;8.2,-56.05,;10.86,-56.05,;5.54,-48.34,;4.21,-49.11,;4.21,-50.65,;2.87,-48.34,;2.87,-46.8,;1.54,-49.11,;20.21,-49.13,;20.21,-50.67,;21.55,-48.36,;22.88,-49.13,;22.88,-50.68,;24.21,-51.44,;25.62,-50.82,;26.65,-51.97,;25.87,-53.3,;26.34,-54.77,;25.32,-55.91,;23.81,-55.58,;23.34,-54.12,;24.36,-52.98,;24.21,-48.36,;24.21,-46.82,;25.54,-49.14,;26.88,-48.36,;26.88,-46.83,;28.22,-46.05,;29.62,-46.69,;30.65,-45.54,;29.89,-44.21,;30.36,-42.75,;29.33,-41.6,;27.82,-41.92,;27.35,-43.39,;28.38,-44.53,;28.22,-49.13,;28.22,-50.68,;29.55,-48.37,;30.88,-49.14,;30.88,-50.68,;32.21,-48.37,;32.21,-46.84,;33.55,-49.14,;34.88,-48.38,;34.88,-46.84,;36.22,-49.15,;36.22,-50.69,;37.54,-48.38,;38.88,-49.15,;40.21,-48.38,;41.55,-49.15,;40.21,-46.84,)|