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CCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O,-6.92,CCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCCN(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O,0,train
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CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C,-5.96,CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C,0,train
CC[C@H](C)[C@H]1C(=O)N[C@@H](COCCO)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C,-5.33,CC[C@H](C)[C@H]1C(=O)N[C@@H](COCCO)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C,0,train
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C,-5.66,CC[C@H](C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C,0,train
CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCO)C1=O,-5.96,CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCO)C1=O,0,train
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O,-6.0,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O,0,train
CC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COCC(O)C(F)(F)F)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C,-5.7,CC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COCC(O)C(F)(F)F)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C,0,train
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O,-5.39,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O,0,train
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O,43,val
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CO)NC(=O)CN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CO)NC(=O)CN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O,43,val
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O,43,val
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N(C)C(=O)CNC(=O)[C@H](CC(C)C)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N(C)C(=O)CNC(=O)[C@H](CC(C)C)NC1=O,43,val
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N(C)C(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N(C)C(=O)CN(C)C(=O)[C@H](CC(C)C)NC1=O,43,val
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC1=O,30,val
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O,47,val
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O,47,val
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O,-10.0,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)NC1=O,47,val
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O,-10.0,CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O,56,train
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCNC1=O,-5.33,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCNC1=O,-5.11,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCNC1=O,-5.19,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCNC1=O,-4.71,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-4.67,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCNC1=O,-4.16,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCNC1=O,-4.22,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCCNC1=O,-4.08,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCCCNC1=O,-4.35,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC(=O)[C@H](C)NC1=O,-4.82,CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC(=O)[C@H](C)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NCCCCCCNC1=O,-5.21,CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NCCCCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.24,CC(C)C[C@@H]1NC(=O)[C@H](C)NCCCCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NCCCCCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,-4.77,CC(C)C[C@@H]1NCCCCCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NCCCCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O,-4.92,CC(C)C[C@@H]1NCCCCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O,13,val
CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-4.27,CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-5.68,CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,-5.85,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-5.89,CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,-6.0,CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,-4.25,CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,-4.88,CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NCCCCCCNC1=O,38,train
CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,-3.78,CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,13,val
CC(C)CN1CC(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C1=O,-3.99,CC(C)CN1CC(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-4.84,CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,-5.64,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)CCCCCCNC1=O,-4.38,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)CCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CN(Cc2ccccc2)CCCCCCNC1=O,-4.13,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CN(Cc2ccccc2)CCCCCCNC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,-4.36,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,13,val
CC(=O)N1CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc1ccccc1,-4.93,CC(=O)N1CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc1ccccc1,13,val
CC(C)C[C@@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,-3.46,CC(C)C[C@@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,13,val
CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N1C,-4.41,CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N1C,13,val
CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,-3.72,CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,-5.11,CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,13,val
CC(C)C[C@@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,-3.57,CC(C)C[C@@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C,13,val
CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](C)C(=O)N1C,-3.68,CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](C)C(=O)N1C,26,train
CC(C)C[C@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N1C,-4.2,CC(C)C[C@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N1C,26,train
CC(C)C[C@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](C)C(=O)N1C,-3.7,CC(C)C[C@H]1C(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](C)C(=O)N1C,26,train
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,-4.4,CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O,26,train
CC(C)CN1CC(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C1=O,-3.58,CC(C)CN1CC(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C1=O,26,train
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.45,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCCCNC(=O)CN(Cc2ccccc2)C1=O,-4.74,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCCCNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCC(=O)N[C@@H](C)C1=O,-5.54,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCC(=O)N[C@@H](C)C1=O,23,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.32,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.71,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.12,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)CCCNC(=O)CN(Cc2ccccc2)C1=O,-5.05,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)CCCNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)CCCNC(=O)CN(Cc2ccccc2)C1=O,-4.75,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)CCCNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[C@@H](C)C(=O)N[C@@H](C)C1=O,-4.94,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[C@@H](C)C(=O)N[C@@H](C)C1=O,19,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[C@H](C)C(=O)N[C@@H](C)C1=O,-4.48,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[C@H](C)C(=O)N[C@@H](C)C1=O,23,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.86,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.59,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](C)CCCNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.94,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.84,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](C)CCNC(=O)CN(Cc2ccccc2)C1=O,-5.0,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](C)CCNC(=O)CN(Cc2ccccc2)C1=O,23,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C)CCNC(=O)CN(Cc2ccccc2)C1=O,-5.0,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C)CCNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[C@@H](C)CC(=O)N[C@@H](C)C1=O,-4.45,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[C@@H](C)CC(=O)N[C@@H](C)C1=O,23,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[C@H](C)CC(=O)N[C@@H](C)C1=O,-4.57,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[C@H](C)CC(=O)N[C@@H](C)C1=O,23,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)C[C@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.55,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)C[C@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)C[C@@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.15,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)C[C@@H](C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.03,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.92,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C)CNC(=O)CN(Cc2ccccc2)C1=O,-4.67,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@@H](C)CNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@H](C)CNC(=O)CN(Cc2ccccc2)C1=O,-4.81,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CC[C@H](C)CNC(=O)CN(Cc2ccccc2)C1=O,29,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](C)CCC(=O)N[C@@H](C)C1=O,-4.8,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](C)CCC(=O)N[C@@H](C)C1=O,23,val
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](C)CCC(=O)N[C@@H](C)C1=O,-4.69,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](C)CCC(=O)N[C@@H](C)C1=O,23,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CC[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,-5.46,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CC[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CC[C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,-4.95,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CC[C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC1=O,19,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,-5.04,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,18,train
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,-5.51,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,13,val
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@@H](C)NC(=O)CN(Cc2ccccc2)C1=O,-4.99,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@@H](C)NC(=O)CN(Cc2ccccc2)C1=O,18,train
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@H](C)NC(=O)CN(Cc2ccccc2)C1=O,-5.24,CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CCC[C@H](C)NC(=O)CN(Cc2ccccc2)C1=O,18,train
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CCCC(=O)N[C@@H](C)C1=O,-4.53,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CCCC(=O)N[C@@H](C)C1=O,18,train
CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CCCC(=O)N[C@@H](C)C1=O,-5.22,CC(C)CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CCCC(=O)N[C@@H](C)C1=O,23,val
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCC[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,-5.23,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCC[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,18,train
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCC[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,-5.25,CC(C)C[C@@H]1NC(=O)CN(C)C(=O)CCC[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC1=O,18,train
CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,-6.04,CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,46,train
CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,-6.68,CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,46,train
CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,-6.29,CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O,46,train
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CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O,-4.63,CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC1=O,17,train
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