385 SMILES Strings for Bombesin receptor subtype-3

Compound Name
SMILES String
C(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncc(CC2CCCC2)[nH]1
C(Cc1ccc(cc1)-c1ccccn1)c1ncc(CC2CCCC2)[nH]1
CC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CC(=O)n1nc(N)c2c3CCN(Cc4ccccc4)Cc3c(nc12)N1CCCCC1
CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
CC(C)(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CC(C)(C)CC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)CC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CC(C)(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)(C)CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)CCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CC(C)(C)CN1CCc2c(C1)c(nc1[nH]nc(N)c21)N1CCCCC1
CC(C)(C)CNc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CC(C)(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1
CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-n2cccn2)[nH]1
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CC(O)=O
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCC(O)=O
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCNS(C)(=O)=O
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCO
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCOc1cccc(O)c1
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1Cc1ccc(cc1)C(O)=O
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)n1CC(O)=O
CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1
CC(C)(C)NC(=N)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC(C)(C)c1ccccc1
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCCCC1
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc12
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NCc1ccccc1
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NN1CCCC1
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:17:18:21.22:25|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1CN2CCC1CC2 |r,wU:18.18,(25.92,-38.56,;24.59,-39.33,;24.59,-40.87,;25.92,-40.11,;23.26,-38.57,;21.93,-39.34,;21.93,-40.88,;20.59,-38.57,;19.26,-39.34,;18.47,-40.67,;20.02,-40.67,;17.93,-38.57,;17.93,-37.03,;16.59,-36.27,;15.26,-37.03,;15.26,-38.57,;16.59,-39.35,;16.59,-40.88,;15.26,-41.66,;15.26,-43.19,;13.91,-43.96,;12.59,-43.18,;12.59,-41.65,;13.92,-40.88,;13.14,-42.2,;14.62,-42.59,)|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:17:18:21.22:25|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@@H]2CC[C@H]1C2 |r|
CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)OC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)(C)c1cc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 |r|
CC(C)(C)c1ccc(CC(=O)N2Cc3ccc(nc3Nc3ccccc23)C(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(c(F)c12)C(C)(C)O)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3cccnc3)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3ncon3)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(CO)n3)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(C3CCNCC3)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(Cl)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
CC(C)(C)c1cccc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 |r|
CC(C)(C)c1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CC(C)(C)c1csc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 |r|
CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)F)cc1)C(F)(F)F
CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
CC(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CC(C)C(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(=O)Nc1cccc(c1)N1CCOCC1
CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(C)=O
CC(C)CC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)CCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CC(C)CN1CCc2c(C1)c(nc1[nH]nc(N)c21)N1CCCCC1
CC(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)C[C@@H](CN[C@@H](C#N)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C |wU:84.94,76.83,4.14,7.6,32.33,55.63,18.25,wD:95.103,41.54,64.71,104.106,36.37,(30.24,-14.64,;28.74,-14.96,;28.26,-16.42,;27.71,-13.81,;26.2,-14.13,;25.72,-15.59,;24.22,-15.91,;23.74,-17.37,;24.77,-18.52,;24.29,-19.98,;25.32,-21.13,;22.95,-20.75,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,)|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:86.97,78.86,8.12,4.4,31.32,54.62,16.24,63.74,wD:97.106,40.53,106.109,35.36,(25.32,-21.13,;24.29,-19.99,;22.8,-20.38,;24.77,-18.52,;23.74,-17.38,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.25,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;26.61,-7.05,;27.94,-6.28,;29.28,-7.05,;29.28,-8.59,;27.94,-9.36,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.05,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.43,-7.18,;8.32,-8.42,;7.43,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;5.22,4.8,;3.89,5.57,;2.56,4.8,;2.56,3.26,;3.89,2.49,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.68,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.75,6.63,;16.25,6.95,;17.28,5.8,;16.73,8.41,;14.2,9.24,;13.17,10.38,;11.66,10.07,;13.65,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.1,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.12,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.22,;10.01,17.9,;12,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.6,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:77.88,69.77,4.4,22.23,45.53,8.15,54.65,wD:88.97,31.44,97.100,26.27,(30.24,-14.64,;28.74,-14.96,;28.26,-16.42,;27.71,-13.81,;26.2,-14.13,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.07,3.19,;5.07,4.73,;3.74,5.5,;2.41,4.73,;2.41,3.19,;3.74,2.42,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;25.72,-15.59,;24.22,-15.91,;26.75,-16.74,)|
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)NN
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)NN(C)C
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
CC(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CC2CCC1C2 |TLB:16:17:23:21.20|
CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 |r|
CC(C)Nc1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
CC(C)OC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CC(C)Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(N)=O |r|
CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F
CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(CCCCC1)c1ccccn1
CC(C)c1nnc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1 |r|
CC(NC(=O)CC1NCCc2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)CCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)Cc1cc2ccccc2[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)Cc1ccc2OCOc2c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NC(=O)Cc1cccnc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(NCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
CC(O)(Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)c1ccc(cc1)-n1cccn1
CC1CCN(CC1)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
CCC(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CCC(C)(C)C(=O)Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CCC(C)(C)Cc1cn(CC(O)=O)c(CCc2ccc(cc2)-c2ccccn2)n1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccc(F)cn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(=O)[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(C)n2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(N)n2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(n2)C#N)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(n2)C(O)=O)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2O)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCC(O)=O)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2cnn[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2n[nH]c(=O)[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2n[nH]c(=S)[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnc(N)[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnc([nH]2)C(F)(F)F)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnc[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnn[nH]2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)n1CC(O)=O
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccncc2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccns2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cnccn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cnsc2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2csnn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-n2cccn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-n2ccnn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-n2cncn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-n2ncnn2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCCC2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2C(O)=O)[nH]1 |r|
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2c2nnc[nH]2)[nH]1 |r|
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2c2nnn[nH]2)[nH]1 |r|
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCc3cn[nH]c23)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc-3c(CN(C)C(=O)c4ccccc-34)c2)[nH]1
CCC(C)(C)Cc1cnc(CCc2ccc-3c(CNC(=O)c4ccccc-34)c2)[nH]1
CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CCC(C)(CC)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CCC(C)C(NC(=O)C1CCC(=O)N1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCSC)C(N)=O
CCCCC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CCCCC(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ncc(CCCC)[nH]1
CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C
CCCCOC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1 |r|
CCCCOc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(N)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r|
CCCCc1cnc(C=Cc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1 |w:9.9|
CCCCc1cnc(CCCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CCCCc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CCCCc1cnc(Cc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CCCCc1cnc([nH]1)C(C)Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1cnc([nH]1)C(CC)Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1cnc([nH]1)C(CCC)Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1cnc([nH]1)C(CCCO)Cc1ccc(cc1)-c1ccccc1C(O)=O
CCCCc1cnc([nH]1)C(Cc1ccc(cc1)-c1ccccc1C(O)=O)C(C)C
CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
CCNc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
CCOc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
CN(C(=O)NC(C)(C)C)S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CN(C(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2)C(C)(C)C |r|
CN(C)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
CN1CCN(CC1)c1nc2[nH]nc(N)c2c2CCN(Cc3ccccc3)Cc12
CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
COC(=O)C(C)(C)Oc1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1
COC(=O)C(C)(C)c1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CC(O)=O)cc1
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCC(O)=O)cc1
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCNS(C)(=O)=O)cc1
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCO)cc1
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCOc2cccc(O)c2)cc1
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2Cc2ccc(cc2)C(O)=O)cc1
COC(=O)c1ccccc1-c1ccc(CCCc2ncc(CC(C)(C)C)[nH]2)cc1
COC(=O)c1ccccc1-c1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1
COC(=O)c1ccccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CC(O)=O)cc1
COc1ccc(CN2CCc3c(C2)c(nc2[nH]nc(N)c32)N2CCCCC2)cc1
COc1ccc(Cc2cnc(CCc3ccc(cc3)-c3ccccc3C(O)=O)[nH]2)cc1
COc1ccc2nc(C=Cc3cc4OCOc4cc3Cl)[nH]c2c1 |w:9.9|
COc1ccc2nc(CCc3cc4OCOc4cc3Cl)[nH]c2c1
COc1ccc2nc(CCc3cc4OCOc4cc3Cl)oc2c1
COc1ccc2nc(CCc3cc4OCOc4cc3Cl)sc2c1
COc1ccc2nc(COc3cc4OCOc4cc3Cl)[nH]c2c1
COc1ccc2nc(NC(=O)c3cc4OCOc4cc3Cl)[nH]c2c1
COc1ccc2nc(NCc3cc4OCOc4cc3Cl)[nH]c2c1
COc1ccc2nc(SCc3cc(OC)cc(OC)c3)[nH]c2c1
COc1ccc2nc(SCc3cc4OCOc4cc3Cl)[nH]c2c1
COc1ccc2nc(SCc3ccc(F)c(F)c3)[nH]c2c1
COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1
COc1ccc2nc(SCc3ccncc3)[nH]c2c1
COc1ccc2nc(SCc3n[nH]c4ccccc34)[nH]c2c1
COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1
COc1ccc2nc([nH]c2c1)C(C)Cc1cc2OCOc2cc1Cl
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
COc1ccc2oc(CCc3cc4OCOc4cc3Cl)nc2c1
COc1ccc2sc(CCc3cc4OCOc4cc3Cl)nc2c1
COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
COc1cccc(Cc2cnc(CCc3ccc(cc3)-c3ccccc3C(O)=O)[nH]2)c1
COc1ccccc1Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NCCc2cccc(c2)C(=O)NS(C)(=O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(OCCCC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(cc2)C(F)(F)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2cccc(c2)C(O)=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccccn2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cc(cs2)C([O-])=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)[N-]OCc2cccc(OCC([O-])=O)c2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(N)=O
CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(N)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(N)=O |(76.66,-17.73,;77.14,-16.27,;76.11,-15.12,;76.59,-13.66,;75.56,-12.51,;76.04,-11.05,;77.54,-10.73,;78.57,-11.88,;78.02,-9.27,;79.53,-8.95,;80.56,-10.1,;82.07,-9.78,;80.08,-11.56,;76.99,-8.12,;77.47,-6.66,;78.98,-6.34,;76.44,-5.51,;76.92,-4.05,;78.43,-3.73,;79.06,-2.33,;80.59,-2.49,;80.91,-4,;79.57,-4.76,;74.94,-5.83,;73.91,-4.68,;74.39,-3.22,;72.4,-5,;71.37,-3.86,;69.87,-4.17,;69.39,-5.64,;68.84,-3.03,;67.33,-3.34,;66.3,-2.2,;66.78,-.73,;64.8,-2.52,;64.32,-3.98,;63.77,-1.37,;62.26,-1.69,;61.78,-3.15,;61.23,-.54,;59.73,-.86,;59.25,-2.32,;60.15,-3.56,;59.25,-4.8,;57.79,-4.33,;56.46,-5.1,;55.12,-4.33,;55.12,-2.79,;56.46,-2.02,;57.79,-2.79,;61.71,.92,;60.68,2.07,;59.18,1.75,;61.16,3.53,;62.67,3.85,;63.15,5.31,;64.61,5.79,;64.61,7.33,;63.15,7.81,;62.24,6.56,;60.13,4.68,;58.62,4.36,;58.15,2.9,;57.6,5.51,;58.07,6.97,;57.05,8.12,;57.52,9.58,;55.54,7.8,;56.09,5.19,;55.61,3.73,;56.64,2.58,;54.1,3.41,;53.63,1.94,;52.12,1.63,;51.09,2.77,;51.64,.16,;52.67,-.98,;52.19,-2.45,;53.22,-3.59,;52.74,-5.06,;53.77,-6.2,;53.29,-7.67,;55.28,-5.89,;50.13,-.15,;49.66,-1.62,;50.68,-2.76,;48.15,-1.94,;47.52,-3.34,;45.99,-3.18,;45.67,-1.67,;47.01,-.9,;47.17,.63,;48.58,1.25,;45.92,1.54,;46.09,3.07,;44.84,3.97,;43.44,3.35,;42.19,4.26,;42.36,5.79,;41.11,6.7,;43.76,6.41,;45.01,5.51,;44.52,.91,;43.41,-.16,;43.78,-1.65,;41.93,.27,;41.56,1.77,;40.08,2.19,;39.71,3.69,;38.23,4.12,;40.82,-.8,;39.34,-.37,;38.97,1.13,;38.23,-1.44,;38.6,-2.93,;37.49,-4,;37.86,-5.5,;36.75,-6.56,;37.12,-8.06,;36.75,-1.01,;35.64,-2.08,;36.01,-3.57,;34.16,-1.65,;33.05,-2.72,;31.57,-2.29,;31.2,-.8,;30.46,-3.36,;30.83,-4.86,;29.72,-5.92,;30.09,-7.42,;28.24,-5.5,;28.98,-2.93,;28.61,-1.44,;29.72,-.37,;27.13,-1.01,;26.76,.48,;25.28,.91,;24.17,-.16,;24.91,2.41,;23.43,2.83,;23.06,4.33,;24.17,5.4,;21.58,4.75,;21.21,6.25,;19.73,6.68,;18.62,5.61,;19.36,8.17,;17.88,8.6,;17.51,10.09,;18.62,11.16,;16.03,10.52,;15.66,12.02,;14.18,12.44,;13.07,11.37,;13.81,13.94,;14.92,15.01,;12.33,14.36,;11.96,15.86,;13.07,16.93,;10.48,16.29,;9.96,17.73,;8.42,17.68,;7.99,16.2,;9.27,15.34,;9.32,13.8,;10.68,13.08,;8.01,12.99,;6.65,13.71,;5.35,12.9,;3.99,13.62,;5.4,11.36,;8.06,11.45,;9.42,10.72,;10.73,11.54,;9.47,9.18,;10.75,8.32,;10.32,6.84,;8.78,6.79,;8.26,8.24,;6.78,8.66,;6.41,10.16,;5.67,7.6,;6.04,6.1,;4.19,8.02,;3.08,6.96,;3.82,9.52,;26.02,3.47,;27.5,3.05,;25.65,4.97,;26.02,-2.08,;24.54,-1.65,;26.39,-3.57,;33.79,-.16,;34.9,.91,;32.31,.27,;69.32,-1.56,;70.82,-1.25,;68.29,-.42,;74.05,-12.83,;73.57,-14.3,;73.02,-11.69,)|
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCC(=O)N1)C(C)C)C(C)C)C(N)=O
CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:83.93,75.82,8.12,4.4,31.32,54.62,wD:94.102,40.53,16.24,63.70,103.105,35.36,(24.84,-22.6,;25.32,-21.13,;24.29,-19.99,;24.77,-18.52,;23.74,-17.38,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.25,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;26.61,-7.05,;27.94,-6.28,;29.28,-7.05,;29.28,-8.59,;27.94,-9.36,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.05,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.43,-7.18,;8.32,-8.42,;7.43,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.68,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.75,6.63,;16.25,6.95,;17.28,5.8,;16.73,8.41,;14.2,9.24,;13.17,10.38,;11.66,10.07,;13.65,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.1,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.12,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.22,;10.01,17.9,;12,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.6,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O |wU:99.104,8.12,53.61,4.4,30.31,16.23,wD:70.77,39.52,78.88,62.65,93.95,34.35,(25.85,-22.32,;26.33,-20.86,;25.3,-19.71,;25.78,-18.25,;24.75,-17.1,;25.23,-15.64,;26.74,-15.32,;27.76,-16.46,;27.21,-13.85,;28.72,-13.54,;29.75,-14.68,;31.26,-14.37,;29.27,-16.15,;26.19,-12.71,;26.66,-11.24,;28.17,-10.93,;25.64,-10.1,;26.11,-8.63,;27.62,-8.32,;28.76,-9.35,;30.1,-8.58,;29.78,-7.07,;28.25,-6.91,;24.13,-10.42,;23.1,-9.27,;23.58,-7.81,;21.59,-9.59,;20.56,-8.44,;19.06,-8.76,;18.58,-10.22,;18.03,-7.61,;16.52,-7.93,;15.49,-6.78,;15.97,-5.32,;13.99,-7.1,;13.51,-8.57,;12.96,-5.96,;11.45,-6.27,;10.97,-7.74,;10.42,-5.13,;8.92,-5.44,;8.44,-6.91,;9.34,-8.15,;8.44,-9.39,;6.98,-8.92,;5.65,-9.69,;4.31,-8.92,;4.31,-7.38,;5.65,-6.61,;6.98,-7.38,;10.9,-3.66,;9.87,-2.52,;8.37,-2.83,;10.35,-1.05,;11.86,-.73,;12.34,.73,;13.84,1.05,;14.32,2.51,;14.87,-.1,;9.32,.09,;9.8,1.56,;11.31,1.88,;8.77,2.7,;9.25,4.17,;8.22,5.31,;6.72,5,;8.7,6.78,;7.67,7.92,;8.15,9.39,;9.66,9.71,;7.12,10.53,;5.62,10.22,;4.59,11.36,;3.08,11.05,;5.07,12.83,;7.6,12,;9.11,12.32,;10.14,11.17,;9.59,13.78,;8.56,14.93,;9.04,16.39,;8.01,17.54,;8.49,19,;7.46,20.15,;7.94,21.61,;5.95,19.83,;11.09,14.1,;11.57,15.56,;10.54,16.71,;13.08,15.88,;13.56,17.34,;15.06,17.66,;16.09,16.51,;15.54,19.12,;14.64,20.37,;15.55,21.62,;17.01,21.14,;18.26,22.04,;17.01,19.6,;7.27,2.39,;6.79,.92,;6.24,3.53,;18.51,-6.15,;20.01,-5.83,;17.48,-5,;23.24,-17.42,;22.76,-18.88,;22.21,-16.27,)|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:85.96,77.85,8.16,4.4,33.35,56.65,19.27,wD:96.105,42.56,65.73,105.108,37.39,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;28.74,-16.5,;30.07,-17.27,;31.4,-16.5,;31.4,-14.96,;30.07,-14.19,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.62,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.5,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:91.97,83.91,8.16,4.4,33.35,62.71,19.27,wD:97.106,48.62,37.46,71.79,106.109,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;28.74,-16.5,;30.07,-17.27,;31.4,-16.5,;31.4,-14.96,;30.07,-14.19,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;13.58,-9.93,;13.19,-11.42,;14.27,-12.5,;13.88,-13.99,;14.97,-15.08,;12.39,-14.39,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
C[C@@H](NC(=O)[C@H]1[C@@H](N([C@H]2CCCC[C@@H]2NS(C)(=O)=O)C(=O)c2ccccc12)c1ccc(Cl)cc1Cl)c1ccccc1 |r|
C[C@@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r|
C[C@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r|
Cc1cc2[nH]c(COc3cc4OCOc4cc3Cl)nc2cc1Cl
Cc1ccc(Cc2cnc(CCc3ccc(cc3)-c3ccccc3C(O)=O)[nH]2)cc1
Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1
Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1 |r|
Cc1ccc2CN(c3c(C)c(C)ccc3Nc2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc2N(Cc3ccc(nc3Nc2c1C)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc2Nc3nc(Cl)c(F)cc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc2Nc3nc(ccc3CN(c2c1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)C1=NC(C=[S+]1)C(C)(C)C)C(F)(F)F |c:26,t:23|
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C#N)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)F)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1csc(c1)C(F)(F)F)C(F)(F)F
Cc1ccc2Nc3nc(ccc3CN(c2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cc1ccc2Nc3ncc(Cl)cc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc2Nc3ncccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1cccc(Cc2cnc(CCc3ccc(cc3)-c3ccccc3C(O)=O)[nH]2)c1
Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cc1ccccc1Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Clc1cc2OCOc2cc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1
Clc1ccc(C=NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1 |w:5.4|
Clc1ccc(CC(=O)NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Clc1ccc(CNCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Clc1ccc(CNNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Clc1ccc2nc(COc3cc4OCOc4cc3Cl)[nH]c2c1
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Cn1cc(cn1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Cn1nc(N)c2c3CCN(Cc4ccccc4)Cc3c(nc12)N1CCCCC1
FC(F)(F)c1ccc2CN(C(=O)Cc3ccc(Oc4ccccc4)cc3)c3ccccc3Nc2n1
FC(F)(F)c1ccc2CN(C(=O)Cc3cccc(Oc4ccccc4)c3)c3ccccc3Nc2n1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(OC2CCCC2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(OC2CCCCC2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2ccccc2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2ccccn2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2cccnc2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2ccncc2)c1
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Nc1cccc(Oc2ccccc2)c1
FC(F)(F)c1ccc2nc(COc3cc4OCOc4cc3Cl)[nH]c2c1
Fc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cc1
Fc1cccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)c1
Fc1ccccc1Oc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
NC(=O)CCC(NC(=O)CCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
NC(=O)CCC(NC(=O)Cc1cc2ccccc2[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
NC(=O)CCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
N[C@H](Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Nc1n[nH]c2nc(N3CCC(F)CC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(CC4CCCCC4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(CCc3c12)C(=O)c1ccc(F)cc1
Nc1n[nH]c2nc(N3CCCCC3)c3CN(CCc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccc(F)cc4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccc5OCOc5c4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4cccc(c4)C(F)(F)F)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4Cl)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccn4)CCc3c12
Nc1n[nH]c2nc(N3CCCCC3)c3CNCCc3c12
Nc1n[nH]c2nc(N3CCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCNCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(N3CCOCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(NC3CCCCC3)c3CN(Cc4ccccc4)CCc3c12
Nc1n[nH]c2nc(Nc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
O=C(CC1NCCc2ccccc12)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CC1NCCc2ccccc12)NNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CN1CCC(Cc2ccccc2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CN1CCN(Cc2ccccc2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CNCCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(CNCc1cccnc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(Cc1cc2ccccc2[nH]1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(Cc1ccccc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(Cc1cccnc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r,TLB:6:7:11:5.4.10,10:5:12:11.9.8,10:9:12:6.5.4,THB:6:5:11:12.7.8|
O=C(NN=Cc1ccc(cc1)-c1cccs1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
O=C(NN=Cc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
O=C(NN=Cc1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
O=C(NNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(NNCc1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
O=C(Nc1n[nH]c2nc(N3CCCCC3)c3CN(Cc4ccccc4)CCc3c12)C1CCCC1
O=S(=O)(Nc1nnc([nH]1)C1CCC1)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
OC(=O)C1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
OC(=O)CC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
OC(=O)C[C@@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(O)c1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(OC(=O)CC2CC2)c1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccc(F)cc2)c1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(=O)OCC1CC1 |r|
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(c1)C(O)=O |r|
OC(=O)c1cc(F)c(F)cc1-c1ccc(CCc2ncc(CC3CCCCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2nc(c[nH]2)-c2ccccc2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCCCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCOCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CCC3CCCCC3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CCc3ccccc3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccc(Cl)cc3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccc(F)cc3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccc(cc3)C#N)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(Cl)c3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3F)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(c3)C#N)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3C#N)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3Cl)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3F)[nH]2)cc1
OC(=O)c1ccccc1-c1ccc(CCc2ncc([nH]2)C2CCCCC2)cc1
OCC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
OCCC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
OC[C@@H](N1[C@H]([C@H](C(=O)NCCc2ccccc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r|
OC[C@H](Cc1ccccc1)N1[C@H]([C@H](C(=O)NCCc2ccccn2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r|
Oc1[nH]c(=O)sc1-c1ccccc1-c1ccc(CCC2N=CC(CC3CCCC3)=N2)cc1 |c:22,31|
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O