0 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.37 CN(C)C(C)(C)C(=O)O D75124 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.37 NC(=O)C(F)(F)C(N)=O W10321 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.13 C=C[C@](C)(O)C(=O)O AT23392 [1,0,0,0,0,0|0,0,1]=2 7 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.13 COC(C)(C)C(C)=O S10204 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.13 [2H]C([2H])(CC)C(=O)O D98810 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.28 COC(=O)C(C)(C)[C@H](C)N AT25926 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14617 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14618 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14619 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.80 CC(C)(C(=O)O)S(C)(=O)=O AT13965 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.80 CC(C)(C)[C@](C)(N)C(=O)O AT23409 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.168 CC(=O)C1(C(=O)O)CC1 F19705 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.169 CC1(C)C[C@@]1(Br)C(=O)O AT12983 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.169 CC1(C)C[C@@]1(F)C(=O)O AT12982 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.169 CC1(C)C[C@]1(C)C(=O)O AT12979 [0,0,0,1,0,0|2,0,1]=4 24 B9R0.11 C=C(C)CC(C)(C)C(=O)O E72364 [0,0,0,0,0,1|2,0,0]=3 25 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21917 [0,0,0,0,0,1|2,0,1]=4 26 B9R0.11 CC(C)C[C@](C)(O)C(=O)O C15677 [0,0,0,0,0,1|1,0,1]=3 27 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O AT23394 [0,0,0,0,0,1|1,0,0]=2 28 B9R0.11 O=C(O)CC(F)(F)C(=O)O AT12559 [0,0,0,0,0,1|3,0,0]=4 29 B6R0.3 C=C[C@H](N)C(=O)O 33549 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 C=C[C@H](N)C(=O)O 33604 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 C=C[C@H](N)C(=O)O F31266 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 CC[C@H](S)C(=O)O F11548 [2,0,0,0,0,0|0,1,1]=4 34 B6R0.3 C[C@@H](CN)C(=O)O 32005 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.3 C[C@H](C#N)C(=O)O C77562 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.3 C[C@H](ON)C(=O)O AT14508 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.7 CC(=O)C(C)(F)F AT12473 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.7 [2H]C([2H])(O)C(=O)O D98859 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.8 CC[C@](C)(O)CO D78587 [2,0,0,0,0,0|0,0,2]=4 44 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.2 C\C(I)=C\C(=O)O W11497 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.12 C=CC[C@](C)(N)C(=O)O F12085 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.12 CC(C)(CCN)C(=O)O 30051 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.12 CC(C)(CCN)C(=O)O 74008 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.12 CSCC(C)(C)C(=O)O W18315 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.13 C=CC(C)(C)C(=O)CC F51066 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.2 COC(=O)[C@H](Cl)C(=O)Cl AT22453 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.47 C=CC(=O)OC(C)(C)C(=O)O C11641 [0,1,0,0,0,1|1,0,1]=4 61 B10R0.47 COC(=O)NC(C)(C)C(=O)O 93838 [0,1,0,0,0,1|1,0,0]=3 62 B10R0.36 CCOC(=O)C(F)(F)C(=O)O C93221 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.36 CCOC(=O)[C@@](C)(Br)C(C)=O 21223 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.30 C=C1C[C@]1(N)C(=O)O C12297 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.63 C=CC1(C(=O)O)CC1 AT12374 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.442 NC(=O)NC1(C(=O)O)CC1 AT25782 [0,0,0,1,0,1|2,0,0]=4 69 B10R1.470 C[C@@]1(C(=O)O)CNC(=O)C1 AT19127 [0,0,0,1,0,1|2,0,0]=4 70 B10R1.291 CC(=O)[C@@]1(F)CCOC1=O 93157 [0,1,0,1,0,0|1,0,0]=3 71 B10R1.291 C[C@@]1(C(=O)O)CCNC1=O AT19086 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.425 CNC(=O)C1(C(=O)O)CC1 D87052 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.364 CC(=O)C1(C(C)=O)CCC1 F52549 [0,1,0,1,0,0|2,0,0]=4 74 B8R0.23 CC(=O)N[C@@H](C)C(N)=O FD21101 [1,0,0,0,0,1|1,0,0]=3 75 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [1,0,0,0,0,1|1,0,1]=4 76 B8R0.23 C[C@H](NC(=N)N)C(=O)O C15104 [1,0,0,0,0,1|2,0,0]=4 77 B8R0.23 C[C@H](NC(N)=O)C(=O)O AT23076 [1,0,0,0,0,1|1,0,0]=3 78 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [1,0,0,0,0,1|2,0,0]=4 79 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [1,0,0,0,0,1|2,0,0]=4 80 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 12185 [1,0,0,0,0,1|2,0,0]=4 81 B8R0.23 O=C(O)C[C@H](F)C(=O)O AC5755 [1,0,0,0,0,1|2,0,0]=4 82 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [1,0,0,0,0,1|2,0,0]=4 83 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [1,0,0,0,0,1|2,0,0]=4 84 B10R0.43 CC(=O)NCC(C)(C)C(=O)O W18327 [0,0,0,0,0,2|1,0,0]=3