0 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O C90327 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 CC\C(C)=C/C(=O)O 64163 [1,0,0,0,0,0|0,0,1]=2 6 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.10 CCC(C)C(N)CO D75056 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NO FD21828 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24642 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24735 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24737 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.41 CCN(CC)[C@@H](C)C(=O)O 93845 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.41 CCN(CC)[C@@H](C)C(=O)O 93846 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,0,0,1,0,0|1,0,1]=3 37 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,0,0,1,0,0|1,0,1]=3 39 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [0,0,0,1,0,0|1,0,1]=3 40 B6R0.1 O=C(CCCl)NO AC8818 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.2 C\C(I)=C\C(=O)O W11497 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.3 C=C(CC)C(=O)O 81925 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.3 C=CC(=O)C(C)C C77506 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.3 CC(C)\C(Cl)=N\O D77552 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 CCC(=O)C(N)=S 94003 [2,0,0,0,0,0|1,1,0]=4 49 B6R0.3 CC[C@H](S)C(=O)O F11548 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.3 C[C@@H](CN)C(=O)O 32005 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.3 C[C@H](C#N)C(=O)O C77562 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.3 C[C@H](N)C(=O)NO AT14787 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.3 C[C@H](N)C(=O)NO AT14821 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.3 C[C@H](ON)C(=O)O AT14508 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 NC[C@H](F)C(=O)O 94840 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 NC[C@H](F)C(=O)O 94844 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 NC[C@H](F)C(=O)O 94847 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.27 O=C(O)C(=O)C(F)(F)F AC7769 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.104 C=CCC(F)(F)C(=O)C(=O)O F30086 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.30 CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)O AC8537 [0,2,0,0,0,0|1,0,1]=4 88 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.18 CC1CC(=O)OC1C AC8330 [1,0,0,1,0,0|0,0,1]=3 98 B8R1.18 CC1CC(=O)OC1O S10278 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.34 CC(=O)C=C1CCC1 F20871 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|0,0,1]=3 105 B8R1.5 C=C1CCCNC1=O D80229 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 O=C1CCCC=C1I 62778 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 O=C1NCCNC1=O AT12017 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 O=C1OCCC=C1Br AC2797 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.7 CC(=O)C1=NCCC1 H10253 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|0,1,1]=4 111 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|0,1,1]=4 112 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.38 N\C(=N/O)C1CCC1 F53368 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.50 CC1CCC(C)C1=O F12414 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,0,0,1,0,1|2,0,0]=4 121 B10R1.475 CC[C@]1(C)OC(=O)NC1=O D75121 [0,0,0,1,0,1|0,0,0]=2 122 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,1,0,1,0,0|1,0,0]=3 128 B10R1.119 CN1CCN(C)C(=O)C1=O E72131 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30669 [0,1,0,1,0,0|1,0,1]=4 130 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,0,0,0,0,2|1,0,0]=3