0 B8R0.14 CC(C)(C)C(=O)CC#N 021523 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.14 CC(C)(C)C(=O)OCCl 035584 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.14 CC(C)(C)C(=O)OCI 235580 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.14 CCOC(=O)C(C)(C)Br 093529 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.14 CCOC(=O)C(C)(C)C 003884 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.14 CCOC(=O)C(C)(C)F 024857 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.14 CCOC(=O)C(C)(C)O 024843 [0,0,0,0,0,0|0,1,0]=1 7 B8R0.14 CCOC(=O)C(C)(F)F 023892 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl 242615 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.14 CCOC(=O)C(F)(F)Br 002480 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.14 CCOC(=O)C(F)(F)Cl 001174 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.14 CCOC(=O)C(F)(F)F 001179 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.14 CCOC(=O)C(F)(F)I 010300 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.14 CCSC(=O)C(F)(F)F 492559 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.5 C(F)(Br)C(=O)OCC 003215 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 C(F)(F)C(=O)OCC 003219 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 C=C(C)C(=O)OCC 098938 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 CC(C)C(=O)OCCl 424728 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 CCCC(=O)C(C)=O 099591 [1,0,0,0,0,0|1,1,1]=4 20 B7R0.5 CCOC(=O)C(=O)Cl 024489 [1,0,0,0,0,0|1,1,1]=4 21 B7R0.5 CCOC(=O)C(C)=O 033125 [1,0,0,0,0,0|0,1,1]=3 22 B7R0.5 CCOC(=O)C(C)Br 006095 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CCOC(=O)C(C)C 094936 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.5 CCOC(=O)C(C)Cl 098895 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 CCOC(=O)C(C)F 038173 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 CCOC(=O)C(C)N 003681 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 CCOC(=O)C(C)S 101529 [1,0,0,0,0,0|0,0,0]=1 28 B7R0.5 CCOC(=O)C(F)I 009177 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 CCOC(=O)C(N)=O 221464 [1,0,0,0,0,0|1,1,1]=4 30 B7R0.5 CCOC(=O)C(N)=S 078641 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.5 CCOC(=O)[C@H](C)N 003682 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 CCOC(=O)[C@H](C)O 095008 [1,0,0,0,0,0|0,1,0]=2 33 B7R0.5 CN(C)C(=O)CCCl 310539 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.14 CC(C)(C)C(=O)CBr 538511 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.14 CC(C)(C)C(=O)CCl 049259 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.14 CC(C)(C)C(=O)CN 011349 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.14 CC(C)(C)C(=O)NN 019316 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.14 CC(C)(O)C(=O)NN 061445 [1,0,0,0,0,0|2,1,0]=4 39 B7R0.14 CCC(=O)C(F)(F)F 001574 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.14 CCC(O)C(C)(C)C 106616 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.14 CNC(=O)C(C)(C)Br 216731 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.14 COC(=O)C(C)(C)Br 235671 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.14 COC(=O)C(C)(C)C 002957 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.14 COC(=O)C(C)(C)F 208685 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.14 COC(=O)C(C)(C)N 078725 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.14 COC(=O)C(C)(C)O 240986 [1,0,0,0,0,0|0,1,0]=2 47 B7R0.14 COC(=O)C(C)(F)F 094170 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.14 COC(=O)C(F)(F)Cl 001776 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.14 COC(=O)C(F)(F)F 001026 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.3 O=C(OCCBr)C(F)(F)F 098500 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.10 CC(C)OC(=O)C(F)(F)F 001203 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.19 CCOC(=O)C(C)(C)C#N 222626 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.19 CCOC(=O)C(F)(F)CBr 228865 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.19 CCOC(=O)C(F)(F)CC 035960 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.38 CC1(C)CC(=O)OC1=O 002557 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.40 CC1(C)CCCCC1=O 049771 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.74 CCOC(=O)C1(N)CC1 037843 [0,0,0,1,0,0|1,0,0]=2 58 B9R0.44 CC(C)(C)OC(=O)CCBr 321571 [0,0,0,0,0,1|3,0,0]=4 59 B9R0.44 CC(C)(C)OC(=O)CCN 078600 [0,0,0,0,0,1|3,0,0]=4 60 B9R0.44 CC(C)(C)OC(=O)CCN 208957 [0,0,0,0,0,1|3,0,0]=4 61 B9R0.44 CC(C)(C)OC(=O)CCO 440272 [0,0,0,0,0,1|3,0,0]=4 62 B9R0.44 CCCC(=O)OC(C)(C)C 102742 [0,0,0,0,0,1|2,0,0]=3 63 B9R0.44 CCNC(=O)OC(C)(C)C 474542 [0,0,0,0,0,1|2,0,0]=3 64 B9R0.44 CCOC(=O)CC(C)(C)C 466687 [0,0,0,0,0,1|1,0,0]=2 65 B9R0.44 CCOC(=O)CC(C)(F)F 094758 [0,0,0,0,0,1|2,0,0]=3 66 B9R0.44 CCOC(=O)CC(F)(F)F 034728 [0,0,0,0,0,1|3,0,0]=4 67 B9R0.44 CCOC(=O)CS(C)(=O)=O 003724 [0,0,0,0,0,1|2,1,0]=4 68 B9R0.44 CNCC(=O)OC(C)(C)C 099224 [0,0,0,0,0,1|3,0,0]=4 69 B9R0.44 CNNC(=O)OC(C)(C)C 224639 [0,0,0,0,0,1|3,0,0]=4 70 B9R0.44 C\C=C\C(=O)OC(C)(C)C 115600 [0,0,0,0,0,1|2,0,1]=4 71 B6R0.1 C#CC(=O)OCC 003001 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.1 C=CC(=O)OCC 094594 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.1 C=COC(=O)CC 005111 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.1 CCCC(=O)OC 358407 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CCNC(=O)CCl 069838 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CCNC(=O)CN 075036 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 CCNC(=O)OC 104168 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 CCOC(=O)C#N 046945 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.1 CCOC(=O)C=O 079534 [2,0,0,0,0,0|0,1,1]=4 80 B6R0.1 CCOC(=O)CBr 006091 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.1 CCOC(=O)CC 094652 [2,0,0,0,0,0|0,0,0]=2 82 B6R0.1 CCOC(=O)CCl 097784 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.1 CCOC(=O)CF 019465 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.1 CCOC(=O)CI 324768 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.1 CCOC(=O)CN 094472 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.1 CCOC(=O)CO 227697 [2,0,0,0,0,0|0,1,0]=3 87 B6R0.1 CCOC(=O)CS 099611 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.1 CCOC(=O)NN 208618 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.3 C(F)(F)C(=O)OC 006791 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.3 C=C(C)C(=O)OC 995248 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.3 CC(C)C(=O)CBr 079016 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.3 CC(C)C(=O)NN 019317 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.3 CCC(=O)C(C)=O 464570 [2,0,0,0,0,0|0,1,1]=4 94 B6R0.3 CCC(=O)C(C)C 386812 [2,0,0,0,0,0|0,0,0]=2 95 B6R0.3 CCC(=O)N(C)C 235586 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.3 CCC(O)C(C)C 240664 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.3 CN(C)C(=O)CBr 043801 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 CN(C)C(=O)CCl 067830 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 CN(C)C(=O)CN 463150 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 CNC(=O)C(C)Br 369255 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 CNC(=O)C(C)C 541993 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 CNC(=O)C(C)Cl 310451 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 COC(=O)C(C)=O 094169 [2,0,0,0,0,0|0,1,1]=4 104 B6R0.3 COC(=O)C(C)Br 006778 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 COC(=O)C(C)C 097703 [2,0,0,0,0,0|0,0,0]=2 106 B6R0.3 COC(=O)C(C)Cl 239017 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.3 COC(=O)C(C)N 003683 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.3 COC(=O)C(C)N 003684 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.3 COC(=O)C(C)O 103470 [2,0,0,0,0,0|0,1,0]=3 110 B6R0.3 COC(=O)C(Cl)Cl 340479 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.3 COC(=O)[C@@H](C)N 005452 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 COC(=O)[C@@H](C)O 219745 [2,0,0,0,0,0|0,1,0]=3 114 B6R0.3 COC(=O)[C@H](C)Cl 328935 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 COC(=O)[C@H](C)O 099823 [2,0,0,0,0,0|0,1,0]=3 116 B6R0.5 CCCC(C)(C)O 356177 [2,0,0,0,0,0|0,1,1]=4 117 B6R0.5 CCO[Si](C)(C)C S08635 [2,0,0,0,0,0|1,1,0]=4 118 B6R0.5 COCC(C)(C)N 044656 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.5 COCC(C)(C)O 304271 [2,0,0,0,0,0|0,1,1]=4 120 B6R0.7 CC(=O)C(C)(C)C 003453 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.7 CC(=O)C(C)(C)O 092081 [2,0,0,0,0,0|0,1,0]=3 122 B6R0.7 CC(C)(Br)C(=O)Br 098961 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.7 CC(C)(Br)C(=O)O 075177 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(Br)C(N)=O 323860 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.7 CC(C)(C)C(=O)Cl 080298 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.7 CC(C)(C)C(=O)O 218406 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.7 CC(C)(C)C(=O)[O-] 053854 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.7 CC(C)(C)C(N)=O 093938 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.7 CC(C)(F)C(=O)O 013150 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.7 CC(C)(F)C(N)=O 062794 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.7 CC(C)(N)C(=O)O 078899 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.7 CC(C)(O)C(=O)O 214584 [2,0,0,0,0,0|0,1,0]=3 133 B6R0.7 CC(F)(F)C(=O)O 010408 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.3 CCOC(=O)C(=O)CBr 067144 [1,1,0,0,0,0|0,1,1]=4 135 B8R0.3 CCOC(=O)C(=O)CC 075979 [1,1,0,0,0,0|0,1,1]=4 136 B8R0.3 CCOC(=O)C(Br)CBr 044874 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.3 CCOC(=O)C(Br)CC 008678 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.3 CCOC(=O)C(C)C#N 050345 [1,1,0,0,0,0|0,0,1]=3 139 B8R0.3 CCOC(=O)C(C)CC 099207 [1,1,0,0,0,0|0,0,0]=2 140 B8R0.3 CCOC(=O)[C@@H](N)CS M03085 [1,1,0,0,0,0|1,0,0]=3 141 B8R0.3 C\C=C(/C)C(=O)OCC 104013 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.8 C=C(C)C(=O)OCCCl 104860 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.8 C=C(C)C(=O)OCCN 013402 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.8 C=C(C)C(=O)OCCO 358471 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.8 CN(C)C(=O)CCCN 360246 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.8 COCCC(=O)N(C)C 091209 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.23 C=C(C)C(=O)OC(C)C 151100 [1,1,0,0,0,0|0,0,2]=4 149 B8R0.23 CC(C)CC(=O)N(C)C 371931 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.23 CC(C)OC(=O)[C@H](C)N M02938 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.13 COC(=O)C(C)(C)CN 233971 [1,1,0,0,0,0|1,0,0]=3 152 B8R0.13 COC(=O)C(C)(C)CO 050399 [1,1,0,0,0,0|0,1,0]=3 153 B8R0.13 COC(=O)C(F)(F)CBr 099825 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.27 CN(C)C(=O)C(C)(C)Br 104198 [1,1,0,0,0,0|2,0,0]=4 155 B10R0.28 CC(C)(C)OC(=O)CCCBr 011598 [0,1,0,0,0,1|2,0,0]=4 156 B10R0.28 CC(C)(C)OC(=O)NCCCl 079141 [0,1,0,0,0,1|2,0,0]=4 157 B10R0.28 CC(C)(C)OC(=O)NCCN 017322 [0,1,0,0,0,1|2,0,0]=4 158 B10R0.28 CC(C)(C)OC(=O)NCCO 022129 [0,1,0,0,0,1|2,0,0]=4 159 B10R0.28 CC(C)(C)OC(=O)NCCS 032759 [0,1,0,0,0,1|2,0,0]=4 160 B10R0.31 CC(C)NC(=O)OC(C)(C)C 180249 [0,1,0,0,0,1|2,0,0]=4 161 B10R0.37 CCC(C)C(=O)OC(C)(C)C 103046 [0,1,0,0,0,1|2,0,0]=4 162 B10R0.37 CC[C@@H](O)C(=O)OC(C)(C)C 445860 [0,1,0,0,0,1|2,0,0]=4 163 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C 222753 [0,1,0,0,0,1|2,0,0]=4 164 B10R0.12 CC(C)(C)C(=O)OCC(N)=S 017195 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.114 CC(C)(C)OC(=O)C(C)(C)Br 214819 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.5 CC1CCCCC1=O 463405 [1,0,0,1,0,0|1,0,0]=3 167 B8R1.5 CN1CCCCC1=O 240152 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.5 NC1CCCNC1=O 075567 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.5 O=C1CCCCC1Cl 235014 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.19 CC1(C)CCOC1=O 432330 [1,0,0,1,0,0|0,0,0]=2 171 B8R1.37 CCOC(=O)C1CC1 051090 [1,0,0,1,0,0|0,0,0]=2 172 B8R1.54 CN(C)C(=O)C1CC1 069934 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.72 CC1(C)COCCN1 061564 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.39 COC(=O)C1(Br)CC1 043234 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.39 COC(=O)C1(O)CC1 230805 [1,0,0,1,0,0|0,1,0]=3 176 B10R1.65 CC(C)(C)N1CCNC1=O 104142 [0,0,0,1,0,1|2,0,0]=4 177 B10R1.329 CC1CC(=O)CC(C)(C)C1 174500 [0,0,0,1,0,1|2,0,0]=4 178 B10R1.373 CC(C)(C)OC(=O)C1CC1 387069 [0,0,0,1,0,1|2,0,0]=4 179 B10R1.114 CC1(C)C(=O)CCCC1=O 069900 [0,1,0,1,0,0|1,1,0]=4 180 B10R1.401 CCOC(=O)C1(Br)CCC1 218345 [0,1,0,1,0,0|1,0,0]=3 181 B10R1.405 CCOC(=O)C1(C#N)CC1 001455 [0,1,0,1,0,0|1,0,0]=3 182 B8R0.5 CC(C)OC(=O)OCCl 239635 [1,0,0,0,0,1|1,0,0]=3 183 B8R0.5 CCOC(=O)C=C(C)C 224509 [1,0,0,0,0,1|0,0,1]=3 184 B8R0.5 CCOC(=O)CC(C)=O 044857 [1,0,0,0,0,1|0,1,1]=4 185 B8R0.5 CCOC(=O)CC(C)=O 104605 [1,0,0,0,0,1|0,1,1]=4 186 B8R0.5 CCOC(=O)CC(C)C 098989 [1,0,0,0,0,1|0,0,0]=2 187 B8R0.5 CCOC(=O)CC(C)O 093719 [1,0,0,0,0,1|0,1,0]=3 188 B8R0.5 CCOC(=O)C[C@@H](C)O 078582 [1,0,0,0,0,1|0,1,0]=3 189 B8R0.5 CCOC(=O)OC(C)Cl 238068 [1,0,0,0,0,1|1,0,0]=3 190 B8R0.5 CCOC(=O)\C=C(\C)N 139000 [1,0,0,0,0,1|1,0,1]=4 191 B10R0.109 CCOC(=O)CCC(C)(F)F 044574 [0,0,0,0,0,2|2,0,0]=4