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6 SMILES Strings for Aquaporin-1 (AQP1)

Compound NameSMILES String
BDBM50089038 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
BDBM50354083 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)|
BDBM178091 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4c(Cl)cccc34)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(-.85,-.5,;-.85,1.04,;.48,1.81,;.48,3.35,;1.81,4.12,;3.15,3.35,;4.48,4.12,;5.82,3.35,;7.15,4.12,;7.15,5.66,;8.48,6.43,;9.82,5.66,;11.15,6.43,;9.82,7.2,;12.48,5.66,;11.15,7.97,;9.82,8.74,;9.82,10.28,;11.15,11.05,;12.48,10.28,;13.82,11.05,;13.82,12.59,;15.15,10.28,;15.15,8.74,;13.82,7.97,;12.48,8.74,;5.82,6.43,;4.48,5.66,;-.85,4.12,;-2.19,3.35,;-3.52,4.12,;-4.85,3.35,;-4.85,1.81,;-3.52,1.04,;-2.19,1.81,)|
BDBM178092 CNCC1Cc2cc(F)cc(c2O1)-c1ccc(Cl)cc1Cl
BDBM178093 NCC1Cc2cc(F)cc(c2O1)-c1ccc(Cl)cc1Cl
BDBM178094 CNCC1Cc2cc(F)cc(c2O1)-c1c(Cl)cccc1Cl |(12.06,10.63,;10.52,10.63,;9.75,9.29,;8.21,9.29,;7.31,10.54,;5.84,10.07,;4.51,10.84,;3.18,10.07,;1.84,10.84,;3.18,8.53,;4.51,7.75,;5.84,8.53,;7.31,8.05,;4.51,6.21,;3.18,5.44,;1.84,6.21,;3.18,3.9,;4.51,3.13,;5.84,3.9,;5.84,5.44,;7.18,6.21,)|