0 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC1=N[C@H](C(=O)[O-])CS1 D97542 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,0,0,0|2,1,1]=4 21 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [0,0,0,0,0,0|0,0,1]=1 22 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [0,0,0,0,0,0|1,0,0]=1 26 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.1 O=C1CC[C@H](CO)O1 80970 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 O=C1NC[C@H](CO)O1 70228 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,0,0,0|0,0,1]=2 52 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 W12371 [0,1,0,0,0,0|0,1,0]=2 62 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 74856 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O D78920 [0,1,0,0,0,0|0,0,0]=1 74 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O F14371 [0,1,0,0,0,0|0,0,0]=1 75 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 60300 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 P19052 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 P21045 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,0,1,0,0,0|1,0,0]=2 79 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,0,1,0,0,0|1,0,0]=2 80 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.9 CC(=O)NNC(=O)CCl A12492 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,0,1,0,0,0|2,0,0]=3 85 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.9 O=C(O)CCC(=O)NO D83843 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,0,1,0,0,0|1,0,0]=2 90 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.28 NC(=O)CCCC(N)=O F14537 [0,0,1,0,0,0|1,0,0]=2 94 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,1,0,0|2,0,1]=4 95 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,1,0,0|2,0,1]=4 96 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,1,0,0|2,0,1]=4 97 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,1,0,0|2,0,1]=4 98 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [0,0,0,0,1,0|3,0,0]=4 100 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,0,0,1,0|2,0,1]=4 101 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,0,1,0|2,0,1]=4 102 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,0,1,0|2,0,1]=4 103 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,0,1,0|2,0,1]=4 104 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,0,1,0|2,0,1]=4 105 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,0,1,0|2,0,1]=4 106 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,0,1,0|2,0,1]=4 107 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,0,1,0|2,0,1]=4 108 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,0,1,0|2,0,1]=4 109 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,0,1,0|2,0,1]=4 110 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,0,1,0|0,0,0]=1 111 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,0,1,0|0,0,0]=1 112 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,0,1,0|2,0,1]=4 113 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,0,0,0,1,0|2,0,0]=3 114 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,0,0,0,1,0|2,0,0]=3 115 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,0,0,0,1,0|2,0,0]=3 116 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,0,1,0|2,0,1]=4 117 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,0,1,0|1,0,1]=3 118 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,0,0,0,0,1|1,0,1]=3 121 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,0,0,0,0,1|1,0,1]=3 122 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,0,0,0,0,1|2,0,1]=4 123 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,0,0,0,0,1|0,0,2]=3 126 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,0,0,0,0,1|0,0,2]=3 127 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,0,0,0,0,1|0,0,2]=3 128 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,0,0,0,0,1|0,0,2]=3 129 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,0,0,0,0,1|2,0,1]=4 130 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,0,0,0,0,1|2,0,1]=4 131 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,0,0,0,0,1|0,0,0]=1 132 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,0,0,0,0,1|1,0,0]=2 133 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,0,0,0,0,1|1,0,2]=4 134 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,0,0,1|1,0,0]=2 135 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT10889 [0,0,0,0,0,1|0,0,0]=1 136 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.113 CC(=O)N1CCNC(=O)C1 P16067 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,0,0,1|1,0,1]=3 139 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,0,0,0,0,1|2,0,1]=4 140 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,0,0,0,0,1|2,0,1]=4 146 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,0,0,0,0,1|2,0,1]=4 149 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,0,0,0,0,1|2,0,1]=4 152 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,0,0,0,0,1|1,0,2]=4 153 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,0,0,0,0,1|1,0,2]=4 154 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,0,0,0,0,1|1,0,2]=4 155 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,0,0,0,0,1|1,0,2]=4 156 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,0,0,0,0,1|1,0,2]=4 157 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,0,0,0,0,1|1,0,1]=3 158 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,0,0,0,0,1|1,0,0]=2 160 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,0,0,0,0,1|1,0,0]=2 161 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,0,0,0,0,1|1,0,0]=2 162 B7R0.3 CCC(=O)OCCO A11774 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.4 CCCOCC(=O)O AC1647 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.4 CNCCCC(N)=O 21232 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.4 COCCCC(=O)O 78063 [1,0,1,0,0,0|2,0,0]=4 166 B7R0.4 NCCNCC(=O)O FD21628 [1,0,1,0,0,0|1,0,1]=4 167 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,0,1,0,0,0|0,0,2]=4 168 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,0,1,0,0,0|0,0,2]=4 169 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,0,1,0,0,0|0,0,1]=3 170 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [1,0,1,0,0,0|0,0,0]=2 173 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,1,0,0,0|2,0,0]=4 175 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,1,0,0,0|1,0,0]=3 176 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,1,0,0,0|0,1,0]=3 177 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,1,0,0,0|0,1,0]=3 178 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,1,0,0,0|2,0,0]=4 179 B7R0.6 O=C(O)CCC(=O)O D85169 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.15 CC[C@H](NC)C(=O)O W18322 [1,0,1,0,0,0|0,0,1]=3 181 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [1,0,1,0,0,0|1,0,1]=4 183 B7R1.2 C=C1CCC(=O)O1 T71516 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [2,0,0,0,0,0|0,0,1]=3 185 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [2,0,0,0,0,0|0,0,1]=3 186 B7R1.2 C[C@H]1COC(=O)N1 O10180 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.2 C[C@H]1COC(=O)N1 W17357 [2,0,0,0,0,0|1,0,1]=4 188 B7R1.2 O=C1CC[C@H](O)C1 P13127 [2,0,0,0,0,0|1,0,0]=3 189 B7R1.2 O=C1COC(=O)N1 F20602 [2,0,0,0,0,0|1,0,1]=4 190 B7R1.2 O=C1C[C@H](O)CO1 12464 [2,0,0,0,0,0|2,0,0]=4 191 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,1,1,0,0,0|1,0,0]=3 192 B9R0.7 C[C@H](NCC(=O)O)C(=O)O S10702 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,1,0,0,0|2,0,0]=4 194 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,1,0,0,0|2,0,0]=4 195 B9R0.7 N=C(N)NC[C@H](N)C(=O)O D80187 [0,1,1,0,0,0|2,0,0]=4 196 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21448 [0,1,1,0,0,0|1,0,0]=3 197 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [0,1,1,0,0,0|0,0,0]=2 198 B9R0.47 C#CCSC[C@H](N)C(=O)O 30409 [0,1,1,0,0,0|1,0,1]=4 199 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,1,0,0,0|1,0,0]=3 200 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,1,0,0,0|0,0,2]=4 206 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [0,1,1,0,0,0|2,0,0]=4 207 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,1,1,0,0,0|1,0,1]=4 208 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.48 CCNC(=S)NCC(=O)O W19340 [0,1,1,0,0,0|0,1,0]=3 211 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,1,1,0,0,0|0,0,0]=2 212 B9R0.39 CC[C@H](NC(C)=O)C(=O)O 73327 [0,1,1,0,0,0|0,0,0]=2 213 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C75133 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.11 CC(=O)NC(C)(C)C(=O)O W18578 [0,1,1,0,0,0|0,0,0]=2 215 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O D94816 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.1 CN(CCCC(=O)O)N=O D93527 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,1,1,0,0,0|2,0,0]=4 218 B9R0.53 NC(CC(=O)O)CC(=O)O F12203 [0,1,1,0,0,0|1,0,0]=3 219 B9R0.53 NC(CC(=O)O)CC(=O)O FD10075 [0,1,1,0,0,0|1,0,0]=3 220 B9R0.53 O=C(O)CC(O)CC(=O)O AC1790 [0,1,1,0,0,0|1,0,0]=3 221 B9R0.53 O=C(O)CS(=O)CC(=O)O 20681 [0,1,1,0,0,0|2,0,0]=4 222 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [1,1,0,0,0,0|0,0,1]=3 223 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [1,1,0,0,0,0|0,0,1]=3 224 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [1,1,0,0,0,0|0,0,1]=3 225 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [1,1,0,0,0,0|0,0,1]=3 227 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [1,1,0,0,0,0|0,0,1]=3 232 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.41 O=C(O)C1CNCC1O 73173 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [1,1,0,0,0,0|0,0,1]=3 239 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [1,1,0,0,0,0|0,0,1]=3 240 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [1,1,0,0,0,0|0,0,1]=3 241 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [1,1,0,0,0,0|0,0,1]=3 242 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.163 O=C(O)C1(F)CCCC1 85749 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,1,0,0,1,0|2,0,0]=4 255 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,1,0,0,1,0|2,0,0]=4 256 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,1,0,0,1,0|1,0,0]=3 257 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,1,0,0,1,0|1,0,1]=4 258 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,0,1,0|2,0,0]=4 259 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,1,0,0,1,0|1,0,1]=4 260 B11R1.22 COC(=O)C1CCC(C)NC1 81271 [0,1,0,0,0,1|1,0,1]=4 261 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 C71631 [0,1,0,0,0,1|1,0,0]=3 262 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 A50883 [0,1,0,0,0,1|1,0,1]=4 263 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P17412 [0,1,0,0,0,1|1,0,1]=4 264 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 73036 [0,1,0,0,0,1|1,0,1]=4 265 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P18942 [0,1,0,0,0,1|1,0,1]=4 266 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 38169 [0,1,0,0,0,1|1,0,1]=4 267 B11R1.39 COC(=O)C[C@H]1CCC(=O)N1 AT10062 [0,1,0,0,0,1|0,0,0]=2 268 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,1,0,0,0,1|0,0,0]=2 269 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74958 [0,1,0,0,0,1|0,0,0]=2 270 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74999 [0,1,0,0,0,1|0,0,0]=2 271 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 76678 [0,1,0,0,0,1|0,0,0]=2 272 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 I11014 [0,1,0,0,0,1|1,0,1]=4 273 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 D75798 [0,1,0,0,0,1|0,0,1]=3 274 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 W12370 [0,2,0,0,0,0|0,1,1]=4 275 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C FD7375 [0,2,0,0,0,0|0,0,0]=2 276 B11R1.885 COC(=O)[C@@]1(C)CCC(=O)C1 P18600 [0,2,0,0,0,0|1,0,0]=3 277 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 P13227 [0,2,0,0,0,0|1,0,1]=4 278 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,1,1,0,0|2,0,0]=4 279 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,0,1,1,0,0|1,0,0]=3 280 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,0,1,1,0,0|1,0,1]=4 281 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,0,1,1,0,0|1,0,1]=4 282 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,0,1,1,0,0|2,0,0]=4 283 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,0,1,1,0,0|2,0,0]=4 284 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,1,1,0,0|1,0,1]=4 285 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,1,1,0,0|1,0,1]=4 286 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,1,1,0,0|1,0,1]=4 287 B9R1.179 C=CCC1(C(=O)O)CC1 P17143 [0,0,1,1,0,0|2,0,0]=4 288 B9R1.161 NC(=O)C1CC1C(=O)O P15335 [0,0,1,1,0,0|2,0,0]=4 289 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O I10810 [0,0,1,1,0,0|2,0,0]=4 290 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P15610 [0,0,1,1,0,0|2,0,0]=4 291 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O P15780 [0,0,1,1,0,0|2,0,0]=4 292 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,1,1,0,0|1,0,1]=4 293 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,1,1,0,0|1,0,1]=4 294 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,1,1,0,0|1,0,1]=4 295 B9R1.53 O=C(O)CC1CC(=O)C1 P14795 [0,0,1,1,0,0|1,0,0]=3 296 B9R2.39 O=C1NC2CCC1C2 W18193 [1,0,0,1,0,0|1,0,1]=4 297 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [1,0,0,1,0,0|1,0,1]=4 298 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [1,0,0,1,0,0|1,0,1]=4 299 B9R2.139 O=C1CCC2(CC2)N1 80157 [1,0,0,1,0,0|1,0,1]=4 300 B11R2.66 O=C1CN2C(=O)CC[C@H]2N1 W17118 [0,0,0,1,0,1|1,0,0]=3 301 B11R2.139 O=C1CC2CC(=O)CC2C1 H10082 [0,0,0,1,0,1|2,0,0]=4 302 B11R2.47 O=C1CC2CCC1CC2=O D83633 [0,0,0,1,0,1|2,0,0]=4 303 B11R2.60 O=C1CO[C@@H]2C(=O)CO[C@H]12 W17161 [0,1,0,1,0,0|2,0,0]=4 304 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 F53086 [0,1,0,1,0,0|1,0,1]=4 305 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,0,1,0,1,0|2,0,0]=4 306 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,0,1,0,1,0|1,0,1]=4 307 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,0,1,0,1,0|1,0,1]=4 308 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,0,1,0,1,0|2,0,0]=4 309 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,0,1,0,1,0|2,0,0]=4 310 B7R0.16 O=C(O)C(F)C(=O)O A51197 [0,0,1,0,1,0|2,0,0]=4 311 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,0,1,0,1,0|2,0,0]=4 312 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,0,1,0|2,0,0]=4 313 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,0,1,0|0,0,1]=3 314 B7R1.10 O=C1C[C@H](CO)N1 P17668 [1,0,0,0,1,0|0,0,1]=3 315 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,0,1,0|1,0,1]=4 316 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,0,1,0|1,0,0]=3 317 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,0,1,0|1,0,0]=3 318 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,0,1,0|0,0,1]=3 319 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,0,1,0|1,0,1]=4 320 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,0,1,0|1,0,1]=4 321 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,0,1,0|1,0,0]=3 322 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,0,2,0|1,0,1]=4 323 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,0,2,0|1,0,1]=4 324 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,0,2,0|1,0,1]=4 325 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,0,2,0|1,0,1]=4 326 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,0,1,0,0,1|2,0,0]=4 327 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,0,1,0,0,1|2,0,0]=4 328 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,0,1,0,0,1|2,0,0]=4 329 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,0,1,0,0,1|2,0,0]=4 330 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,0,1,0,0,1|1,0,1]=4 331 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [1,0,0,0,0,1|1,0,1]=4 332 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,0,0,1|1,0,1]=4 333 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [1,0,0,0,0,1|0,0,1]=3 334 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [1,0,0,0,0,1|0,0,1]=3 335 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [1,0,0,0,0,1|1,0,1]=4 336 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [1,0,0,0,0,1|0,0,1]=3 337 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [1,0,0,0,0,1|0,0,1]=3 338 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [1,0,0,0,0,1|0,0,1]=3 339 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [1,0,0,0,0,1|0,0,1]=3 340 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [1,0,0,0,0,1|2,0,0]=4 341 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [1,0,0,0,0,1|2,0,0]=4 342 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [1,0,0,0,0,1|2,0,0]=4 343 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [1,0,0,0,0,1|2,0,0]=4 344 B11R1.20 O=C(O)CC1CCC(=O)CC1 AB7696 [0,0,0,0,0,2|1,0,0]=3 345 B11R1.20 O=C(O)CN1CCC(=O)CC1 W10202 [0,0,0,0,0,2|2,0,0]=4 346 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,0,0,0,0,2|1,0,0]=3