0 B6R0.3 CC(C)C(=O)CBr 35792 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC(C)[C@@H](N)CO 5789 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@H](N)CO 5790 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CCC(=O)C(=O)O 24837 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CN(C)C(=O)CBr 35884 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CN(C)C(=O)CCl 35615 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CN(C)C(=O)CN 22320 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 COC(=O)C(C)=O 35415 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 COC(=O)C(C)N 10905 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 COC(=O)C(F)F 29091 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 COC(=O)[C@@H](C)O 6056 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 COC(=O)[C@H](C)Cl 6064 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 COC(=O)[C@H](C)N 10884 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 COC(=O)[C@H](C)O 12893 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CON(C)C(C)=O 12775 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(C)=CC=O 3075 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)CCI 3950 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CNN 18739 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)N=C=S 16501 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CCCC(C)N 26317 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CCC[C@@H](C)O 6721 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCC[C@H](C)O 6719 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 COCC(C)O 1904 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 COC[C@@H](C)O 6714 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 COC[C@H](C)O 6715 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 C#CC(=O)OC 13736 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.3 C=CC(=O)CBr 13741 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 C=CC(=O)CO 32353 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CCP(Cl)CC 6480 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 COC(=O)CN 10899 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.3 COC(=O)CS 10788 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.3 COC(=O)NN 17404 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 CO[C@@H](C)CN 17733 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 CO[C@@H](C)CN 17747 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 CO[C@@H](C)CO 26646 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CO[C@H](C)CN 17734 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CO[C@H](C)CN 17748 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 O=C(CO)CO 4053 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.5 C=C(C)C(=C)C 36156 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.5 C=C(C)C(=O)Cl 45061 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.5 C=C(C)C(=O)[O-] 13118 [1,0,0,0,0,0|0,0,3]=4 45 B5R0.5 C=C(C)C(=O)[O-] 13119 [1,0,0,0,0,0|0,0,3]=4 46 B5R0.5 C=C(C)C(=O)[O-] 21062 [1,0,0,0,0,0|0,0,3]=4 47 B5R0.5 C=C(C)C(=O)[O-] 21065 [1,0,0,0,0,0|0,0,3]=4 48 B5R0.5 CC(=O)C(=O)O 18177 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.5 CC(=O)C(C)Br 12679 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.5 CC(Br)C(=O)Cl 35707 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.5 CC(Br)C(C)Br 12534 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.5 CC(C)B(O)O 7987 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.5 CC(C)C(=O)Cl 18648 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.5 CC(C)C(C)O 32297 [1,0,0,0,0,0|0,0,2]=3 55 B5R0.5 CC(C)C(N)=O 21345 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.5 CC(Cl)C(=O)O 5746 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.5 CC(F)C(=O)O 13698 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.5 CC(N)B(O)O 33616 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.5 CC(N)C(=O)O 11009 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.5 CC(O)C(=O)O 30331 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.5 CC(O)C(=O)[O-] 20459 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.5 CN(C)C(=N)N 19198 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.5 CN(C)C(=O)Cl 29326 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.5 CN(C)C(=S)Cl 35206 [1,0,0,0,0,0|2,1,0]=4 65 B5R0.5 C[C@@H](Br)C(=O)O 26125 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.5 C[C@@H](N)B(O)O 33655 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.5 C[C@@H](N)C(=O)O 11002 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.5 C[C@@H](N)C(N)=O 12667 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.5 C[C@@H](O)C(=O)O 16738 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.5 C[C@H](Br)C(=O)O 8278 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.5 C[C@H](N)B(O)O 33647 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.5 C[C@H](N)C(=O)O 12862 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.5 C[C@H](N)C(N)=O 5715 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.5 C[C@H](O)C(=O)O 26021 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.5 O=C(O)C(=O)O 17416 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.5 O=C(O)C(=O)O 22393 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.5 O=C(O)C(F)F 12637 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 O=C([O-])C(Cl)Cl 27176 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 [*]C(=O)[C@H](C)N 24898 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.5 CCOC(=O)C(C)F 13697 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 CCOC(=O)C(C)N 10928 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.5 CCOC(=O)C(F)F 29087 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 CCOC(=O)[C@H](C)N 12964 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.5 CCOC(=O)[C@H](C)O 26157 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.10 C=C(CBr)C(=O)OC 17371 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.10 C=C(CCl)C(=O)OC 17372 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.10 C=C(CO)C(=O)OC 17373 [0,1,0,0,0,0|0,0,2]=3 91 B7R0.10 CCC(Br)C(=O)OC 20191 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.10 COC(=O)C(Cl)CCl 24797 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.10 COC(=O)C(N)CO 10908 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.10 COC(=O)C(O)OC 17980 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.10 COC(=O)[C@@H](N)CS 10881 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.10 CON(C)C(=O)CCl 18657 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.14 CC(C)(C)\C(Br)=C\Br 31790 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.14 CCC(=O)C(F)(F)F 27311 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.14 COC(=N)C(Cl)(Cl)Cl 27034 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.14 COC(=O)C(C)(C)F 28958 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.14 COC(=O)C(C)(C)N 16472 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.14 COC(=O)C(C)(C)O 18589 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.14 COC(=O)C(F)(F)F 12490 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.15 COC(OC)N(C)C 10940 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.16 CC(=O)C(=O)C(C)Br 32080 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.16 CC(C)P(Cl)C(C)C 6476 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.16 CN(C)C(=N)N(C)C 19325 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.16 CN(C)C(=O)C(=O)O 12917 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.16 CN(C)C(Cl)=[N+](C)C 12759 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.4 CC1OCCC1=O 7120 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.4 CC1OCCC1S 9972 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.4 CN1CCCC1=O 17618 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.4 NC1CCOC1=O 6982 [0,0,0,1,0,0|1,0,0]=2 118 B7R1.4 NC1CCSC1=O 26584 [0,0,0,1,0,0|1,1,0]=3 119 B7R1.4 NN1CCCC1=O 26204 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 N[C@@H]1CCNC1=O 24096 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.4 N[C@@H]1CONC1=O 5763 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 N[C@H]1CCOC1=O 13830 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 O=C1OCCC1Br 10714 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.22 COC(=O)C1CC1 11835 [0,0,0,1,0,0|0,0,0]=1 127 B7R1.22 COC(=O)C1CO1 35239 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.22 O=C(CBr)C1CC1 21100 [0,0,0,1,0,0|2,0,0]=3 130 B7R0.2 C=CC(=O)NC(C)C 35024 [0,0,0,0,0,1|1,0,1]=3 131 B7R0.2 CC(C)NC(=O)CBr 17628 [0,0,0,0,0,1|2,0,0]=3 132 B7R0.2 CCC(=O)CC(C)=O 24813 [0,0,0,0,0,1|2,0,1]=4 133 B7R0.2 COC(=O)C=C(C)C 35911 [0,0,0,0,0,1|0,0,1]=2 134 B7R0.2 COC(=O)CC(C)=O 24182 [0,0,0,0,0,1|1,0,1]=3 135 B7R0.2 COC(=O)CC(N)=S 16742 [0,0,0,0,0,1|2,0,1]=4 136 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,0,0,0,0,1|1,0,0]=2 137 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,0,0,0,0,1|1,0,0]=2 138 B7R0.2 COC(=O)NC(N)=O 12458 [0,0,0,0,0,1|2,0,1]=4 139 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,0,0,0,0,1|1,0,1]=3 140 B4R0.1 C#CC(=O)O 23201 [2,0,0,0,0,0|0,0,2]=4 141 B4R0.1 C#CC(C)=O 2024 [2,0,0,0,0,0|0,0,2]=4 142 B4R0.1 C=C(C)CCl 20429 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C=CC(=O)O 21090 [2,0,0,0,0,0|0,0,2]=4 144 B4R0.1 CC(=O)CBr 24199 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC(C)=CBr 29713 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 CC(C)CI 3951 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CC(C)NN 26972 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|0,0,1]=3 149 B4R0.1 CCB(O)O 7960 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|0,0,2]=4 153 B4R0.1 CCC([NH-])=O 10938 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.1 CCS(=O)[O-] 24643 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|0,0,2]=4 158 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 CN(C)C=O 23341 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 CNC(C)C 10279 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 COC(Cl)Cl 2376 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 C[C@@H](Cl)CO 8287 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 C[C@@H](N)CO 9884 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 C[C@@H](O)CO 5857 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@H](Cl)CO 8285 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 C[C@H](N)CO 5710 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 C[C@H](O)CO 5853 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 C\C=C(/C)Br 29073 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 NC(=O)CBr 31995 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 NC(=O)CI 12542 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 NCC(=O)O 18924 [2,0,0,0,0,0|1,0,0]=3 173 B4R0.1 NCC(=O)[O-] 26210 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 NCC(=O)[O-] 9921 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 NCC(N)=O 13019 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 O=C(Cl)CBr 24880 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 O=C(O)CBr 13144 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.1 O=CC(=O)O 19965 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 [C-]#[N+]C(C)C 29396 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 COCCO 35138 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.2 CC(C)[NH2+]C(C)C 30286 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.4 CC(C)NCCN 8612 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.4 CNCCC(C)C 16229 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.4 CO\C=C\C(C)=O 28206 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.8 COP(=O)(Cl)OC 19321 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.7 CC(=O)C(C)(C)O 20018 [1,1,0,0,0,0|0,0,0]=2 194 B6R0.7 CC(C)(Br)C(=O)Br 18672 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.7 CC(C)(C)C(=O)O 16826 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.7 CC(C)(C)C(=O)[O-] 31972 [1,1,0,0,0,0|0,0,1]=3 197 B6R0.7 CC(C)(C)C(O)=S 15276 [1,1,0,0,0,0|0,1,0]=3 198 B6R0.7 CC(C)(C)S(N)=O 9911 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.7 CC(C)(C)[S@@](N)=O 6057 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.7 CC(C)(C)[S@](N)=O 6058 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.7 CC(C)(N)C(=O)O 16474 [1,1,0,0,0,0|0,0,0]=2 202 B6R0.7 CC(C)(N)C(N)=O 31964 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.7 CC(C)S(=O)(=O)Cl 31414 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.7 CC(C)S(N)(=O)=O 16612 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.7 CC(F)(F)C(=O)O 35923 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.7 CN(C)C(C)(C)N 31827 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.7 CP(Cl)C(C)(C)C 18817 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.7 C[C@H](N)P(=O)(O)O 12450 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.7 O=C(O)C(F)(F)Cl 32388 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.7 O=C(O)C(F)(F)F 12671 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.2 COC(=O)C(N)C(C)=O 24594 [0,1,0,0,0,1|1,0,1]=4 212 B8R0.2 COC(=O)[C@@H](N)C(C)C 10897 [0,1,0,0,0,1|0,0,0]=2 213 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 19049 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.2 COC(=O)[C@H](N)C(C)C 10898 [0,1,0,0,0,1|0,0,0]=2 215 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,1,0,0,0,1|0,0,0]=2 216 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,1|1,0,1]=4 217 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,1,0,0,0,1|1,0,0]=3 219 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,1,0,0,0,1|1,0,0]=3 220 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,1,0,0,0,1|1,0,1]=4 221 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,1,0,0,0,1|1,0,1]=4 222 B8R0.16 CO\C(C=O)=C/N(C)C 22794 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,1,0,0,0,1|1,0,1]=4 224 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,1,0,0,0,1|1,0,0]=3 225 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.19 COC(=O)CC(=O)CCl 11042 [0,1,0,0,0,1|1,0,1]=4 227 B8R0.19 COC(=O)CC(O)CCl 21114 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [0,1,0,0,0,1|1,0,0]=3 229 B8R0.19 COC(=O)OC(=O)OC 13758 [0,1,0,0,0,1|1,0,1]=4 230 B8R0.23 CC(C)OC(=O)[C@H](C)N 20221 [0,1,0,0,0,1|1,0,0]=3 231 B8R0.23 CC(C)OC(=O)[C@H](C)N 24811 [0,1,0,0,0,1|1,0,0]=3 232 B8R0.24 C=CC(=O)OC(C)(C)C 15929 [0,1,0,0,0,1|1,0,1]=4 233 B8R0.24 CC(C)(C)OC(=O)CN 11144 [0,1,0,0,0,1|2,0,0]=4 234 B8R0.24 CC(C)(C)OC(=O)CN 35328 [0,1,0,0,0,1|2,0,0]=4 235 B8R0.24 CC(C)(C)OC(=O)NN 27027 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.24 CNC(=O)OC(C)(C)C 24627 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.24 COC(=O)CC(F)(F)F 36177 [0,1,0,0,0,1|2,0,0]=4 238 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.8 C=C(C)C(=O)OCCCl 35876 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.8 C=C(C)C(=O)OCCO 35748 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.14 CC(C)(C)C(=O)CC#N 28965 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.14 CCOC(=O)C(C)(C)N 16478 [0,2,0,0,0,0|0,0,0]=2 249 B8R0.14 CCOC(=O)C(C)(F)F 35783 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.14 CCOC(=O)C(F)(F)Br 16953 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.14 CCOC(=O)C(F)(F)Cl 12573 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.14 CCOC(=O)C(F)(F)F 12576 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.13 C#CC(C)(C)C(=O)OC 34960 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.13 C#CC(C)(C)C(=O)OC 34960 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.13 CC[C@](C)(N)C(=O)OC 30388 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.13 COC(=O)C(C)(C)CI 18310 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.27 CC(C)(C)C(=O)C(=O)O 14270 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.18 CC(C)N(N=O)C(C)C 28155 [0,2,0,0,0,0|2,0,0]=4 259 B6R1.2 BrC1CCOC1 26260 [1,0,0,1,0,0|1,0,1]=4 260 B6R1.2 CC1CCCN1 11112 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 CC1CCCN1 9410 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.2 CC1CCCS1 12832 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.2 C[C@@H]1CCCN1 11117 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 C[C@@H]1CCCN1 15593 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 C[C@H]1CCCN1 11115 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 C[C@H]1CCCN1 15594 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.2 NC1CCOC1 20203 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 NC1CCOC1 24733 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 N[C@@H]1CCOC1 12612 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 N[C@@H]1CCOC1 15496 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 N[C@H]1CCOC1 15126 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 O[C@@H]1CCOC1 11341 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 O[C@@H]1CCOC1 7071 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.2 O[C@H]1CCOC1 16209 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.3 COC[C@@H]1CO1 5856 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.3 COC[C@H]1CO1 5851 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.3 CONC1CC1 25856 [1,0,0,1,0,0|1,0,0]=3 280 B6R1.10 CC1(C)CNC1 30379 [1,0,0,1,0,0|1,0,1]=4 281 B6R1.10 CC1(N)COC1 14416 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.10 CC1(N)COC1 23160 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.4 CN1CCNC(=O)C1 23318 [0,0,0,1,0,1|2,0,0]=4 284 B8R1.4 NC1CCNC(=O)C1 22226 [0,0,0,1,0,1|2,0,0]=4 285 B8R1.18 CC1CC(=O)N(C)C1 24945 [0,0,0,1,0,1|1,0,0]=3 286 B8R1.40 NCC(=O)NC1CC1 16649 [0,0,0,1,0,1|2,0,0]=4 287 B8R1.51 CC1(C)CCC(=O)N1 22248 [0,0,0,1,0,1|1,0,0]=3 288 B8R1.51 CC1(C)CCC(=O)O1 25722 [0,0,0,1,0,1|1,0,0]=3 289 B8R1.51 CC1(C)CNC(=O)C1 25550 [0,0,0,1,0,1|1,0,0]=3 290 B8R1.51 CC1(C)CNC(=O)N1 34122 [0,0,0,1,0,1|1,0,0]=3 291 B8R1.51 CC1(C)OCC(=O)O1 21008 [0,0,0,1,0,1|2,0,0]=4 292 B8R1.51 CC1=NC(C)(C)CO1 24351 [0,0,0,1,0,1|1,0,0]=3 293 B8R1.5 CC1CCCCC1=O 15725 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.5 CC1CNCCC1=O 15830 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.5 CN1CCNCC1=O 23102 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 N[C@H]1CCCNC1=O 17890 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.5 O=C1CCCCC1Br 17636 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.5 O=C1CCNCC1Br 14523 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.5 O=C1CCOCC1F 26608 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.37 CCOC(=O)C1CC1 11840 [0,1,0,1,0,0|0,0,0]=2 301 B8R1.37 N#CCC(=O)C1CC1 22387 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.54 CC(=O)C(=O)C1CC1 14769 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.38 COC(=O)C1CCC1 23839 [0,1,0,1,0,0|0,0,0]=2 304 B8R1.38 COC(=O)C1CCN1 23978 [0,1,0,1,0,0|0,0,0]=2 305 B8R1.38 COC(=O)C1CNC1 18800 [0,1,0,1,0,0|0,0,0]=2 306 B8R1.38 COC(=O)C1CNC1 23516 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.39 CC1(C(=O)NN)CC1 23600 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.39 COC(=O)C1(Br)CC1 44770 [0,1,0,1,0,0|0,0,0]=2 309 B8R1.39 COC(=O)C1(C)CC1 23210 [0,1,0,1,0,0|0,0,0]=2 310 B8R1.50 CC1C(=O)CCC1=O 2206 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.50 CC1CCN(C)C1=O 24944 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.50 CN1CCC(Br)C1=O 35509 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.50 CN1CCN(C)C1=O 7604 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 5782 [0,1,0,1,0,0|1,0,0]=3