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4 SMILES Strings for ADM2

Compound NameSMILES String
BDBM50000743 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50246690 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:184.188,213.219,228.235,50.51,92.94,117.119,131.133,78.80,36.43,151.153,185.191,199.203,17.21,wD:12.12,170.173,180.185,54.67,72.76,103.105,46.47,4.4,124.126,142.144,86.88,159.161,191.195,25.32,217.222,233.239,(-1.99,-10.08,;-2,-8.53,;-.67,-7.76,;-3.34,-7.77,;-3.35,-6.23,;-4.7,-5.49,;-6.03,-6.26,;-6.03,-7.8,;-7.37,-5.5,;-8.7,-6.27,;-10.01,-5.47,;-10.02,-3.93,;-11.35,-6.25,;-11.34,-7.78,;-12.7,-5.52,;-14.04,-6.29,;-14.02,-7.82,;-15.37,-5.52,;-15.37,-3.98,;-14.05,-3.21,;-14.05,-1.67,;-12.71,-3.97,;-16.7,-6.3,;-18.03,-5.53,;-18.03,-3.99,;-19.36,-6.31,;-19.36,-7.85,;-18.02,-8.62,;-18.01,-10.15,;-16.69,-10.95,;-16.65,-12.49,;-18.01,-13.29,;-15.34,-13.27,;-20.71,-5.56,;-22.04,-6.33,;-22.03,-7.87,;-23.38,-5.56,;-23.38,-4.02,;-22.06,-3.24,;-20.66,-3.86,;-19.63,-2.72,;-20.4,-1.39,;-21.91,-1.71,;-24.71,-6.35,;-26.03,-5.55,;-26.05,-4.01,;-27.38,-6.33,;-28.73,-5.59,;-30.06,-6.36,;-30.07,-7.9,;-31.41,-5.6,;-32.72,-6.38,;-34.07,-5.62,;-34.08,-4.08,;-35.38,-6.39,;-35.38,-7.93,;-36.7,-8.71,;-38.12,-8.09,;-39.12,-9.24,;-38.34,-10.57,;-38.8,-12.02,;-37.77,-13.15,;-36.27,-12.82,;-35.82,-11.35,;-36.86,-10.23,;-36.73,-5.63,;-36.74,-4.1,;-35.41,-3.32,;-38.07,-3.34,;-31.42,-4.06,;-30.09,-3.28,;-32.75,-3.3,;-27.36,-7.87,;-28.7,-8.65,;-26.07,-8.66,;-2.01,-5.45,;-2.02,-3.91,;-.7,-6.25,;.63,-5.47,;.63,-3.92,;1.96,-3.15,;1.95,-1.6,;3.29,-3.91,;1.98,-6.23,;1.98,-7.77,;3.31,-5.46,;4.66,-6.2,;4.67,-7.74,;5.99,-8.52,;5.99,-5.42,;5.98,-3.89,;7.31,-6.21,;8.64,-5.44,;8.63,-3.9,;9.96,-3.12,;9.95,-1.58,;11.29,-.81,;11.29,.73,;9.95,1.48,;12.62,1.5,;9.98,-6.21,;9.98,-7.74,;11.3,-5.43,;12.66,-6.16,;12.67,-7.7,;13.96,-8.48,;13.99,-5.38,;13.98,-3.84,;15.31,-6.18,;16.64,-5.4,;17.98,-6.16,;17.99,-7.7,;19.31,-5.39,;20.66,-6.13,;21.99,-5.35,;21.99,-3.81,;23.31,-6.14,;24.64,-5.36,;24.63,-3.83,;25.97,-3.05,;23.29,-3.06,;25.98,-6.13,;25.98,-7.68,;27.31,-5.36,;28.67,-6.1,;28.68,-7.63,;30.01,-8.4,;27.35,-8.41,;30,-5.32,;29.99,-3.78,;31.32,-6.11,;32.65,-5.33,;32.64,-3.79,;33.97,-3.02,;33.96,-1.48,;35.29,-.7,;35.28,.84,;36.6,1.61,;33.94,1.6,;33.98,-6.1,;33.99,-7.64,;35.32,-5.33,;36.67,-6.07,;36.67,-7.61,;38.01,-8.37,;38.02,-9.91,;39.36,-10.66,;39.37,-12.2,;38,-5.29,;38,-3.75,;39.32,-6.08,;40.65,-5.3,;40.64,-3.76,;41.96,-2.98,;43.29,-3.77,;41.96,-1.44,;41.98,-6.06,;41.99,-7.6,;43.32,-5.29,;44.66,-6.04,;44.66,-7.58,;46,-8.35,;47.35,-7.58,;48.67,-8.34,;48.67,-9.87,;47.34,-10.63,;46,-9.87,;46,-5.27,;46,-3.73,;47.33,-6.04,;48.67,-5.27,;50,-6.04,;50,-7.58,;51.34,-5.27,;48.67,-3.73,;47.33,-2.96,;50.04,-3.03,;51.41,-3.72,;52.49,-2.63,;51.81,-1.25,;50.28,-1.5,;49.19,-.41,;47.7,-.81,;49.59,1.08,;48.5,2.17,;47.01,1.77,;46.61,.28,;45.91,2.85,;48.9,3.66,;50.38,4.06,;47.8,4.73,;48.12,6.24,;49.59,6.72,;49.9,8.24,;48.74,9.25,;51.37,8.71,;46.97,7.26,;45.51,6.78,;47.29,8.77,;46.14,9.8,;44.68,9.33,;43.53,10.35,;44.36,7.81,;46.46,11.31,;47.92,11.78,;45.31,12.33,;45.62,13.84,;44.48,14.88,;43.01,14.39,;44.72,16.23,;43.66,17.34,;44.4,18.68,;45.91,18.4,;46.12,16.86,;47.47,16.15,;47.51,14.6,;48.79,16.95,;50.14,16.21,;50.19,14.68,;51.53,13.94,;52.84,14.73,;54.2,14.01,;54.24,12.47,;52.93,11.66,;51.58,12.4,;51.45,17.02,;51.41,18.56,;52.81,16.29,;54.12,17.09,;54.07,18.63,;55.47,16.36,;55.52,14.81,;56.78,17.16,;58.13,16.42,;58.17,14.88,;59.53,14.15,;60.84,14.96,;62.19,14.22,;62.23,12.69,;60.92,11.88,;59.58,12.62,;59.45,17.23,;60.8,16.49,;59.4,18.78,)|
BDBM50025073 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50025076 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(C)C)C(=O)N1C2CCCCC2CC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|