0 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,0,0,0|0,1,0]=1 21 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,0,0,0|0,0,2]=2 22 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.1 COC1CCC(O)C1 P19125 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 N#CC1CCC(O)C1 W19383 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 NCC1CCC(O)C1 72949 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 NC(=O)N1CCCC1 32811 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 C11590 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 P16224 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.31 CC(=O)N1CC[C@H](CO)C1 N10632 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P18801 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O D96820 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.359 CC(=O)[C@H]1CCC(F)(F)C1 P15477 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P12511 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 D79336 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 27406 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 39471 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13092 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,0,1,0,0,0|1,0,0]=2 78 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,0,1,0,0,0|1,0,2]=4 79 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,0,1,0,0,0|1,0,1]=3 82 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,0,1,0,0,0|1,0,0]=2 83 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,1,0,0,0|1,0,0]=2 86 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,1,0,0|1,0,0]=2 87 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,1,0,0|2,0,0]=3 88 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,1,0,0|2,0,0]=3 89 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,1,0,0|2,0,0]=3 90 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.23 CN(C)C1CC(O)C1 P16011 [0,0,0,0,1,0|3,0,0]=4 92 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,0,0,1,0|1,0,0]=2 93 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,0,0,1,0|1,0,0]=2 94 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,0,0,1,0|1,0,0]=2 95 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,0,0,1,0|1,0,0]=2 96 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,0,0,1,0|1,0,0]=2 97 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,0,0,1,0|1,0,0]=2 98 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,0,0,1,0|1,0,0]=2 99 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,0,0,1,0|1,0,0]=2 100 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,0,0,1,0|1,0,0]=2 101 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [0,0,0,0,1,0|0,0,2]=3 102 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [0,0,0,0,1,0|0,0,2]=3 103 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,0,0,0,1,0|3,0,0]=4 105 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,0,0,0,1,0|3,0,0]=4 107 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,0,1,0|1,0,0]=2 108 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,0,0,1|2,0,1]=4 110 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,0,0,0,0,1|2,0,0]=3 113 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,0,0,0,0,1|0,0,0]=1 116 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,0,0,0,0,1|0,0,0]=1 117 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,0,0,0,0,1|0,0,0]=1 118 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,0,0,0,0,1|0,0,0]=1 119 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,0,0,0,0,1|0,0,2]=3 122 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,0,0,0,0,1|0,0,2]=3 123 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,0,0,1|1,0,2]=4 124 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,0,0,0,0,1|0,0,0]=1 125 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,0,0,0,0,1|2,0,0]=3 127 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,0,0,0,0,1|1,0,0]=2 132 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,0,0,0,0,1|1,0,0]=2 140 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,0,0,0,0,1|1,0,0]=2 141 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,0,0,0,0,1|1,0,0]=2 142 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,0,0,0,0,1|1,0,0]=2 143 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,0,0,0,0,1|1,0,0]=2 144 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,0,0,0,0,1|1,0,2]=4 145 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,0,0,0,0,1|1,0,2]=4 146 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,0,0,0,0,1|1,0,2]=4 147 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,0,0,0,0,1|0,0,2]=3 148 B7R0.4 CC(=O)CCCCBr O11558 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.4 CCCOCC(=O)O AC1647 [1,0,1,0,0,0|1,0,0]=3 150 B7R0.4 COCCCC(=O)O 78063 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.4 NCCNCC(=O)O FD21628 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.4 O=C([O-])COCCO A11454 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,0,1,0,0,0|0,0,2]=4 154 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,0,1,0,0,0|0,0,2]=4 155 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,0,1,0,0,0|0,0,2]=4 156 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,0,1,0,0,0|2,0,0]=4 157 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,1,0,0,0|1,0,0]=3 158 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,1,0,0,0|1,0,0]=3 159 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [1,0,1,0,0,0|0,0,2]=4 162 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,1,0,0,0|1,0,0]=3 163 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,1,0,0,0|1,0,0]=3 165 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,1,0,0,0|0,1,0]=3 166 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,1,0,0,0|0,1,0]=3 167 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,1,0,0,0|0,0,1]=3 169 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.6 O=C(O)CCC(=O)O D85169 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.15 CC[C@H](NC)C(=O)O W18322 [1,0,1,0,0,0|0,0,0]=2 173 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [1,0,1,0,0,0|1,0,0]=3 174 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [1,0,1,0,0,0|0,0,0]=2 175 B7R1.1 C=CC1CCCC1 T72385 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.1 CC[C@H]1CCCN1 F16886 [2,0,0,0,0,0|1,0,1]=4 177 B7R1.1 FC[C@H]1CCCN1 37688 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.1 FC[C@H]1CCCN1 P11073 [2,0,0,0,0,0|1,0,1]=4 179 B7R1.1 N#C[C@@H]1CCCN1 37678 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.1 N#C[C@@H]1CCCN1 68253 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.1 N#C[C@@H]1CCCN1 68254 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.1 NC[C@H]1CCCN1 83159 [2,0,0,0,0,0|1,0,1]=4 183 B7R1.1 O=CC1=CCCC1 26227 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.1 OC[C@H]1CCCO1 66575 [2,0,0,0,0,0|1,0,1]=4 185 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [2,0,0,0,0,0|1,0,1]=4 186 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [2,0,0,0,0,0|0,0,1]=3 187 B7R1.2 NC1CCC(O)C1 21055 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.2 NC1CCC(O)C1 26425 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [2,0,0,0,0,0|2,0,0]=4 192 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [2,0,0,0,0,0|1,0,1]=4 196 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [2,0,0,0,0,0|1,0,1]=4 197 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.2 O=C1CC[C@H](O)C1 P13127 [2,0,0,0,0,0|1,0,1]=4 201 B7R1.2 O=C1C[C@H](O)CO1 12464 [2,0,0,0,0,0|1,0,1]=4 202 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [2,0,0,0,0,0|1,0,1]=4 203 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [2,0,0,0,0,0|1,0,0]=3 204 B9R0.7 C[C@H](NCC(=O)O)C(=O)O S10702 [0,1,1,0,0,0|0,0,1]=3 205 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,1,1,0,0,0|2,0,0]=4 206 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,1,1,0,0,0|2,0,0]=4 207 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O T70135 [0,1,1,0,0,0|1,0,1]=4 208 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O FD21799 [0,1,1,0,0,0|1,0,0]=3 214 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C75133 [0,1,1,0,0,0|0,0,1]=3 215 B9R0.74 CCC[C@](C)(CC)C(=O)O 27935 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,1,1,0,0,0|1,0,0]=3 217 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,1,1,0,0,0|1,0,0]=3 218 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O F20568 [0,1,1,0,0,0|2,0,0]=4 219 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,1,1,0,0,0|1,0,0]=3 220 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,1,1,0,0,0|1,0,0]=3 221 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,1,1,0,0,0|0,0,0]=2 222 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,1,1,0,0,0|2,0,0]=4 223 B9R0.53 CC(O)CN(O)CC(C)O F20133 [0,1,1,0,0,0|1,0,1]=4 224 B9R0.56 O=C(O)CNCP(=O)(O)O H10338 [0,1,1,0,0,0|2,0,0]=4 225 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [1,1,0,0,0,0|0,0,1]=3 226 B9R1.22 CN1C[C@@H](F)C[C@H]1CO D97026 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO P11483 [1,1,0,0,0,0|0,0,1]=3 228 B9R1.133 CC1(C)CN[C@@H](CO)C1 50816 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12515 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.133 OC[C@H]1CC(F)(F)CN1 72832 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.133 OC[C@H]1CC(F)(F)CN1 P13607 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [1,1,0,0,0,0|0,0,0]=2 234 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.11 O=C(CBr)C1CCCC1 P20314 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.11 O=C(CO)N1CCCC1 W15877 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.19 CC(C)(O)[C@@H]1CCCN1 39110 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.19 CC(C)(O)[C@@H]1CCCN1 W10126 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.19 O=S(=O)(O)C1CCCC1 P15473 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [1,1,0,0,0,0|0,0,0]=2 244 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.41 O=C(O)C1CNCC1O 73173 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [1,1,0,0,0,0|0,0,0]=2 252 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [1,1,0,0,0,0|0,0,0]=2 253 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [1,1,0,0,0,0|0,0,0]=2 254 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [1,1,0,0,0,0|0,0,0]=2 255 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.163 O=C(O)C1(F)CCCC1 85749 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.51 CS(=O)(=O)[C@H]1C[C@@H](O)C1 AT10557 [0,1,0,0,1,0|1,0,1]=4 269 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,1,0,0,1,0|1,0,0]=3 270 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,0,1,0|1,0,0]=3 271 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,1,0,0,1,0|1,0,0]=3 272 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,1,0,0,1,0|1,0,0]=3 273 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,1,0,0,1,0|0,0,0]=2 274 B9R1.82 O=C(CCl)N1CC(O)C1 P18784 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.95 CC(=O)N1CC(CO)C1 21091 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,1,0,0,1,0|1,0,0]=3 277 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,1,0,0,1,0|0,0,0]=2 278 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,1,0,0,1,0|0,0,0]=2 279 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,1,0,0,1,0|0,0,0]=2 280 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,1,0,0,1,0|1,0,0]=3 281 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,1,0,0,1,0|1,0,0]=3 282 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,1,0,0,1,0|1,0,0]=3 283 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,1,0,0,1,0|0,0,0]=2 284 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [0,1,0,0,1,0|1,0,1]=4 285 B9R1.152 C=C1CC(O)(C(=O)O)C1 P20125 [0,1,0,0,1,0|1,0,1]=4 286 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [0,1,0,0,1,0|0,0,2]=4 287 B9R1.152 NC1(C(=O)O)CC(F)C1 P12535 [0,1,0,0,1,0|1,0,0]=3 288 B9R1.164 CC(=O)C1CC(F)(F)C1 P15881 [0,1,0,0,1,0|2,0,0]=4 289 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,1,0,0,1,0|1,0,0]=3 290 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,1,0,0,1,0|1,0,0]=3 291 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,1,0,0,1,0|0,0,0]=2 293 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 W15261 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 P15709 [0,1,0,0,0,1|1,0,0]=3 298 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 P12782 [0,1,0,0,0,1|1,0,0]=3 299 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 89391 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.3 NCC1CCC(C(=O)O)CC1 T71247 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 P20836 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.3 O=C(O)C1CCC(CO)CC1 D86447 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 T72885 [0,1,0,0,0,1|1,0,0]=3 304 B11R1.22 COC(=O)C1CCC(C)NC1 81271 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.22 COC(=O)C1CCC(N)CC1 AB9595 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 C71631 [0,1,0,0,0,1|0,0,2]=4 307 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 A50883 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P17412 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 SC5021 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 73036 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P18942 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.727 CC1(C)CCC(C(=O)O)CC1 W15975 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60616 [0,1,0,0,0,1|1,0,0]=3 314 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 38169 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 P20485 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.39 COC(=O)C[C@H]1CC[C@H](O)C1 P20486 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.23 COC(=O)C1CC(O)CCN1 C15611 [0,1,0,0,0,1|0,0,0]=2 318 B11R1.23 COC(=O)C1CCCC(O)C1 A10766 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.23 COC(=O)C1CNCC(C)C1 CS2727 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.23 COC(=O)C1CNCC(F)C1 92538 [0,1,0,0,0,1|1,0,0]=3 321 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P15151 [0,1,0,0,0,1|1,0,0]=3 322 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P17744 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P18936 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 W15863 [0,1,0,0,0,1|0,0,0]=2 325 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 W15785 [0,1,0,0,0,1|0,0,0]=2 326 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P19685 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P20495 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79008 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79009 [0,1,0,0,0,1|1,0,0]=3 330 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 38747 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P20451 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.74 CC1CC(C(=O)O)CC(C)O1 P19169 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.74 C[C@@H]1C[C@H](C(=O)O)C[C@H](C)C1 P18307 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.730 CC1(C)CCN[C@H](C(=O)O)C1 W18527 [0,1,0,0,0,1|1,0,0]=3 335 B11R1.730 O=C(O)[C@H]1CCCC(F)(F)C1 P19167 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 68045 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 85317 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 85319 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.50 CO[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15261 [0,2,0,0,0,0|0,0,0]=2 342 B11R1.50 CO[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15606 [0,2,0,0,0,0|0,0,0]=2 343 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 P16193 [0,2,0,0,0,0|0,0,0]=2 344 B11R1.124 C#CC[C@H]1CN[C@H](C(=O)O)C1 F10142 [0,2,0,0,0,0|1,0,0]=3 345 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 P13227 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 C12284 [0,2,0,0,0,0|0,0,0]=2 347 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,1,1,0,0|2,0,0]=4 348 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,1,1,0,0|2,0,0]=4 349 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,1,1,0,0|2,0,0]=4 350 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,1,1,0,0|2,0,0]=4 351 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,0,1,1,0,0|1,0,0]=3 352 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,0,1,1,0,0|2,0,0]=4 353 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,0,1,1,0,0|2,0,0]=4 354 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,0,1,1,0,0|2,0,0]=4 355 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,0,1,1,0,0|2,0,0]=4 356 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,0,1,1,0,0|0,0,0]=2 357 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,0,1,1,0,0|0,0,0]=2 358 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,0,1,1,0,0|0,0,0]=2 359 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,0,1,1,0,0|1,0,0]=3 360 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,0,1,1,0,0|1,0,0]=3 361 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,0,1,1,0,0|0,1,0]=3 362 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,0,1,1,0,0|0,1,0]=3 363 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,1,1,0,0|1,1,0]=4 364 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,0,1,1,0,0|2,0,0]=4 365 B9R1.1 NCC1CCC(=O)CC1 56684 [0,0,1,1,0,0|2,0,0]=4 366 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,0,1,1,0,0|2,0,0]=4 367 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,0,1,1,0,0|2,0,0]=4 368 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,1,1,0,0|2,0,0]=4 369 B9R1.84 O=C(O)COC1CNC1 P19012 [0,0,1,1,0,0|2,0,0]=4 370 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,1,1,0,0|2,0,0]=4 371 B9R1.119 CCC1(C(=O)O)CCC1 72573 [0,0,1,1,0,0|2,0,0]=4 372 B9R1.119 CC[C@@]1(C(=O)O)CCO1 P18489 [0,0,1,1,0,0|1,0,0]=3 373 B9R1.179 NCCC1(C(=O)O)CC1 P15280 [0,0,1,1,0,0|2,0,0]=4 374 B9R1.179 NCCC1(C(=O)O)CC1 P16475 [0,0,1,1,0,0|2,0,0]=4 375 B9R1.179 O=C(O)C1(CCCl)CC1 P17144 [0,0,1,1,0,0|2,0,0]=4 376 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,0,1,1,0,0|2,0,0]=4 377 B9R1.53 NC1CC(CC(=O)O)C1 38856 [0,0,1,1,0,0|2,0,0]=4 378 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 38857 [0,0,1,1,0,0|2,0,0]=4 379 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 38858 [0,0,1,1,0,0|2,0,0]=4 380 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,1,1,0,0|2,0,0]=4 381 B9R2.39 O=C1NC2CCC1C2 W18193 [1,0,0,1,0,0|2,0,0]=4 382 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [1,0,0,1,0,0|2,0,0]=4 383 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [1,0,0,1,0,0|2,0,0]=4 384 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [1,0,0,1,0,0|0,0,0]=2 385 B9R2.39 OC1CC2CNC1C2 P20346 [1,0,0,1,0,0|1,0,1]=4 386 B9R2.145 O=C(O)C12CC(C1)C2 P12599 [0,0,0,1,1,0|1,0,0]=3 387 B11R2.845 O=C(O)C1NC2CCC1C2 P10477 [0,0,0,1,0,1|2,0,0]=4 388 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P10586 [0,0,0,1,0,1|2,0,0]=4 389 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P15759 [0,1,0,1,0,0|1,0,0]=3 390 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 F53086 [0,1,0,1,0,0|1,0,1]=4 391 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,0,1,0,1,0|2,0,0]=4 392 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,0,1,0,1,0|2,0,0]=4 393 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,0,1,0,1,0|2,0,0]=4 394 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,0,1,0,1,0|0,0,0]=2 395 B7R1.10 CNC1CC(O)C1 37731 [1,0,0,0,1,0|2,0,0]=4 396 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [1,0,0,0,1,0|2,0,0]=4 397 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [1,0,0,0,1,0|2,0,0]=4 398 B7R1.10 COC1CC(O)C1 R10063 [1,0,0,0,1,0|2,0,0]=4 399 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [1,0,0,0,1,0|1,0,1]=4 400 B7R1.10 NCC1CC(O)C1 37219 [1,0,0,0,1,0|1,0,1]=4 401 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [1,0,0,0,1,0|1,0,1]=4 402 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [1,0,0,0,1,0|1,0,1]=4 403 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [1,0,0,0,1,0|1,0,1]=4 404 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [1,0,0,0,1,0|1,0,1]=4 405 B7R1.10 OCC1CC(F)C1 72453 [1,0,0,0,1,0|1,0,1]=4 406 B7R1.10 OCC1CC(O)C1 N10548 [1,0,0,0,1,0|0,0,1]=3 407 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [1,0,0,0,1,0|1,0,1]=4 408 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,0,1,0|2,0,0]=4 409 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,0,1,0|1,0,0]=3 410 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,0,1,0|1,0,0]=3 411 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,0,1,0|1,0,0]=3 412 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,0,1,0|0,0,2]=4 413 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,0,1,0|1,0,0]=3 414 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,0,1,0|1,0,0]=3 415 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,0,1,0|1,0,0]=3 416 B7R1.18 O=[N+]([O-])C1CCC1 30647 [1,0,0,0,1,0|1,0,1]=4 417 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,0,2,0|1,0,0]=3 418 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,0,2,0|1,0,0]=3 419 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,0,2,0|1,0,0]=3 420 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,0,2,0|1,0,0]=3 421 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,0,1,0,0,1|2,0,0]=4 422 B9R1.2 OCC1CNCC(F)C1 72782 [1,0,0,0,0,1|1,0,1]=4 423 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [1,0,0,0,0,1|2,0,0]=4 424 B9R1.13 NC(=O)NC1CCCC1 W17339 [1,0,0,0,0,1|2,0,0]=4 425 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [1,0,0,0,0,1|0,0,0]=2 426 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [1,0,0,0,0,1|0,0,0]=2 427 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [1,0,0,0,0,1|0,0,0]=2 428 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [1,0,0,0,0,1|0,0,0]=2 429 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [1,0,0,0,0,1|2,0,0]=4 430 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [1,0,0,0,0,1|2,0,0]=4 431 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [1,0,0,0,0,1|2,0,0]=4 432 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [1,0,0,0,0,1|2,0,0]=4 433 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,0,0,0,0,2|2,0,0]=4 434 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,0,0,0,0,2|2,0,0]=4 435 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 91099 [0,0,0,0,0,2|2,0,0]=4 436 B11R1.20 O=C(O)CC1CCC(O)CC1 C10165 [0,0,0,0,0,2|1,0,0]=3 437 B11R1.157 CC1CCCC(CC(=O)O)C1 C77600 [0,0,0,0,0,2|2,0,0]=4