0 B6R0.2 CC(=O)NC(=N)N 3986 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)=CC(=O)O 21295 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)O[N+](=O)[O-] 17254 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.2 CC(Cl)OC(=O)Cl 17418 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(O)CC(=O)O 13860 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CN(C)CC(=O)O 21520 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C[C@@H](N)CC(=O)O 30087 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C[C@H](N)CC(=O)O 13856 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 C[SiH](C)O[SiH](C)C 25434 [0,0,0,0,0,0|1,2,1]=4 11 B6R0.2 O=C(O)CC(=O)O 35063 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 CC#CC(=O)O 16226 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(=O)NCO 11062 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(=O)\C=N\O 13359 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(=O)\C=N\O 31878 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CC(C)=CC=O 3075 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CCCC(=O)Cl 13241 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=S)[S-] 36079 [1,0,0,0,0,0|1,1,1]=4 19 B5R0.1 CCOC(C)=N 2020 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCSC(C)=S 12459 [1,0,0,0,0,0|0,2,1]=4 21 B5R0.1 CN(C)CC=O 26115 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(=O)O 10995 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 O=C(O)\C=C\Cl 35750 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 O=C(O)\C=C\I 11671 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.2 C=CC(C)CC(=O)O 21406 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)NC(=O)CBr 17628 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.2 CCC(=O)CC(C)=O 24813 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.2 CC\C(C)=C\C(=O)O 13986 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 COC(=O)C=C(C)C 35911 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.2 COC(=O)CC(C)=O 24182 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 COC(=O)CC(N)=S 16742 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 COC(=O)NC(N)=O 12458 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.9 CC(=O)CC(C)(C)N 19406 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.16 CC(=O)C(=O)C(C)Br 32080 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.2 BrC1=CC=C(Br)O1 20252 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 CC1=CC(=O)CC1 25608 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.2 CC1=CC(Br)=CS1 5261 [0,0,0,1,0,0|2,1,0]=4 42 B7R1.2 CC1=CC(C)=NN1 13256 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 CC1=CC(C)=NO1 8641 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 CC1=CC=C(Br)O1 36047 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.2 CC1=CC=C(Br)S1 5193 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.2 CC1=CC=C(C)S1 5194 [0,0,0,1,0,0|1,1,0]=3 47 B7R1.2 CC1=CC=C(Cl)S1 5197 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.2 CC1=CC=C(I)S1 7417 [0,0,0,1,0,0|1,1,1]=4 49 B7R1.2 CC1=CC=C(O)O1 22254 [0,0,0,1,0,0|0,0,2]=3 50 B7R1.2 CC1=CCC(=O)O1 16859 [0,0,0,1,0,0|0,0,0]=1 51 B7R1.2 CC1=CN(C)C=N1 16470 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 CC1=CN(C)N=C1 20859 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 CC1=CN=C(Br)S1 20436 [0,0,0,1,0,0|2,1,0]=4 54 B7R1.2 CC1=CN=C(Cl)S1 26055 [0,0,0,1,0,0|2,1,0]=4 55 B7R1.2 CC1=CN=C(N)S1 9924 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.2 CC1=CNC(C)=C1 24003 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 CC1=CNC(C)=N1 18587 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.2 CC1=COC(C)=N1 8635 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.2 CC1=COC(O)=C1 22255 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 CC1=CSC(C)=N1 9937 [0,0,0,1,0,0|1,1,0]=3 61 B7R1.2 CC1=CSC(N)=N1 9925 [0,0,0,1,0,0|2,1,0]=4 62 B7R1.2 CC1=NC(Br)=CN1 7595 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 CC1=NC(I)=CN1 25227 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 CC1=NC(I)=CS1 32433 [0,0,0,1,0,0|2,1,0]=4 65 B7R1.2 CC1=NC=C(Br)S1 24165 [0,0,0,1,0,0|2,1,0]=4 66 B7R1.2 CC1=NC=C(I)S1 27982 [0,0,0,1,0,0|2,1,0]=4 67 B7R1.2 CC1=NN(C)C=C1 9119 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 CC1=NN=C(C)S1 23972 [0,0,0,1,0,0|2,1,0]=4 69 B7R1.2 CC1=NOC(=O)N1 22560 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 CC1COC(=O)O1 27468 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.2 CN1CCC(=O)C1 20342 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,0,0,1,0,0|0,0,2]=3 73 B7R1.2 C[C@@H]1COC(=O)O1 6059 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.2 C[C@H]1COC(=O)O1 6716 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.2 O=C1C=C(O)CO1 21770 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 O=C1C=CC(=O)O1 16845 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.2 O=C1C=CC(O)O1 25366 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.2 O=C1CCC(=O)N1 13765 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.2 O=C1CCC(=O)O1 21337 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.2 O=C1CSC(=O)N1 17487 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 O=C1CSC(=S)N1 15741 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 OC1=CC=C(O)O1 22253 [0,0,0,1,0,0|1,0,2]=4 83 B5R0.5 C=C(C)B(O)O 29476 [0,0,0,0,1,0|2,0,1]=4 84 B5R0.5 C=C(C)C(=C)C 36156 [0,0,0,0,1,0|1,0,0]=2 85 B5R0.5 C=C(C)C(=O)Cl 45061 [0,0,0,0,1,0|1,0,0]=2 86 B5R0.5 C=C(C)C(=O)[O-] 13118 [0,0,0,0,1,0|1,0,0]=2 87 B5R0.5 C=C(C)C(=O)[O-] 13119 [0,0,0,0,1,0|1,0,0]=2 88 B5R0.5 C=C(C)C(=O)[O-] 21062 [0,0,0,0,1,0|1,0,0]=2 89 B5R0.5 C=C(C)C(=O)[O-] 21065 [0,0,0,0,1,0|1,0,0]=2 90 B5R0.5 CC(=O)C(=O)O 18177 [0,0,0,0,1,0|2,0,0]=3 91 B5R0.5 CC(=O)C(C)Br 12679 [0,0,0,0,1,0|1,0,1]=3 92 B5R0.5 CC(Br)C(=O)Cl 35707 [0,0,0,0,1,0|2,0,1]=4 93 B5R0.5 CC(C)C(=O)Cl 18648 [0,0,0,0,1,0|1,0,2]=4 94 B5R0.5 CC(C)C(N)=O 21345 [0,0,0,0,1,0|1,0,2]=4 95 B5R0.5 CC(Cl)C(=O)O 5746 [0,0,0,0,1,0|2,0,1]=4 96 B5R0.5 CC(F)C(=O)O 13698 [0,0,0,0,1,0|2,0,1]=4 97 B5R0.5 CC(N)C(=O)O 11009 [0,0,0,0,1,0|2,0,1]=4 98 B5R0.5 CC(O)C(=O)O 30331 [0,0,0,0,1,0|2,0,1]=4 99 B5R0.5 CC(O)C(=O)[O-] 20459 [0,0,0,0,1,0|2,0,1]=4 100 B5R0.5 CN(C)C(=O)Cl 29326 [0,0,0,0,1,0|2,0,1]=4 101 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,0,0,0,1,0|2,0,1]=4 102 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,0,0,0,1,0|2,0,1]=4 103 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,0,0,0,1,0|2,0,1]=4 104 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,0,0,0,1,0|2,0,1]=4 105 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,0,0,0,1,0|2,0,1]=4 106 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,0,0,0,1,0|2,0,1]=4 107 B5R0.5 C[C@H](N)C(=O)O 12862 [0,0,0,0,1,0|2,0,1]=4 108 B5R0.5 C[C@H](N)C(N)=O 5715 [0,0,0,0,1,0|2,0,1]=4 109 B5R0.5 C[C@H](O)C(=O)O 26021 [0,0,0,0,1,0|2,0,1]=4 110 B5R0.5 NC(=O)C(N)=O 17273 [0,0,0,0,1,0|3,0,0]=4 111 B5R0.5 O=C(O)C(=O)O 17416 [0,0,0,0,1,0|3,0,0]=4 112 B5R0.5 O=C(O)C(=O)O 22393 [0,0,0,0,1,0|3,0,0]=4 113 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,0,0,0,1,0|2,0,1]=4 114 B7R0.6 C=C(C)CCC(C)=O 25282 [0,0,0,0,0,1|1,0,0]=2 115 B7R0.6 CC(=O)CCC(=O)O 11206 [0,0,0,0,0,1|3,0,0]=4 116 B7R0.6 CC(=O)CNC(C)=O 16497 [0,0,0,0,0,1|2,0,0]=3 117 B7R0.6 CC(=O)NCC(=O)O 8849 [0,0,0,0,0,1|3,0,0]=4 118 B7R0.6 CC(=O)NNC(C)=O 23969 [0,0,0,0,0,1|2,0,0]=3 119 B7R0.6 CC(=O)OCC(=O)Cl 20920 [0,0,0,0,0,1|2,0,0]=3 120 B4R0.1 C#CC(C)=O 2024 [2,0,0,0,0,0|0,0,2]=4 121 B4R0.1 C=C(C)CCl 20429 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 C=CC(=O)O 21090 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 C=CC(N)=O 14147 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.1 C=C[N+](=O)[O-] 14436 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 CC(=O)CBr 24199 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 CC(C)=CBr 29713 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|0,0,1]=3 128 B4R0.1 CCC([NH-])=O 10938 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CN(C)C=O 23341 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|1,0,0]=3 131 B4R0.1 C\C=C(/C)Br 29073 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 O=CC(=O)O 19965 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 C=COCC 18645 [2,0,0,0,0,0|0,0,1]=3 134 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.1 C#CC(=O)OCC 4070 [1,1,0,0,0,0|0,0,2]=4 136 B6R0.1 C=CC(=O)OCC 24719 [1,1,0,0,0,0|0,0,2]=4 137 B6R0.1 CC#CC(=O)OC 12783 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 CCOC(=N)CCl 44863 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 CCOC(=O)C#N 26282 [1,1,0,0,0,0|0,0,2]=4 140 B6R0.1 CCOC(=O)C=O 27307 [1,1,0,0,0,0|0,0,2]=4 141 B6R0.1 CCOC(=O)CF 23757 [1,1,0,0,0,0|0,0,1]=3 142 B6R0.1 CCOC(=O)CN 10926 [1,1,0,0,0,0|0,0,1]=3 143 B6R0.1 CCOC(=O)NO 12451 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.1 CC\C=C(/C)C=O 36081 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.1 CNCC(=O)OC 10901 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.1 COC(=O)NC=O 23790 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.1 COC(=O)\C=C\F 12658 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 COC(=O)\C=C\I 11669 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 C=CC(N)C(=O)O 21785 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.3 C=C[C@@H](N)C(=O)O 21787 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.3 C=C[C@H](N)C(=O)O 21786 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.3 C=C[C@H](N)C(=O)O 29432 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 COC(=O)C(C)=O 35415 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 CON(C)C(C)=O 12775 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.3 C\C=C(/C)C(=O)O 30426 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 C=CCCC(=O)O 20009 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.4 C=CCOC(=O)Cl 20427 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.4 CC(=O)CCCCl 17207 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CC(=O)NCCN 19141 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CC(=O)OCCBr 19081 [1,1,0,0,0,0|0,0,1]=3 162 B6R0.4 CC\C=C\C(C)=O 32068 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.4 CO\C=C\C(C)=O 28206 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.7 CC(=O)C(C)(C)O 20018 [0,1,0,0,1,0|0,0,2]=4 165 B8R0.9 CC(=O)NNC(=N)CCl 26373 [0,1,0,0,0,1|2,0,0]=4 166 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 26970 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 27148 [0,1,0,0,0,1|2,0,0]=4 168 B8R0.2 COC(=O)C(N)C(C)=O 24594 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,2,0,0,0,0|0,0,2]=4 170 B8R0.5 CCN\C(C)=C\C(C)=O 12816 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,2,0,0,0,0|2,0,0]=4 172 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.5 COCC(C)OC(C)=O 4049 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,2,0,0,0,0|2,0,0]=4 176 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.19 COC(=O)CC(=O)CCl 11042 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.19 COC(=O)OC(=O)OC 13758 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.24 CC(C)(C)OC(=O)CN 11144 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.24 CC(C)(C)OC(=O)CN 35328 [0,2,0,0,0,0|0,0,2]=4 181 B8R0.24 CNC(=O)OC(C)(C)C 24627 [0,2,0,0,0,0|0,0,2]=4 182 B6R1.2 BrC1=CC=CO1 6929 [1,0,0,1,0,0|1,0,1]=4 183 B6R1.2 CC1=CC=CO1 11230 [1,0,0,1,0,0|0,0,1]=3 184 B6R1.2 CC1=CC=CS1 5204 [1,0,0,1,0,0|0,1,1]=4 185 B6R1.2 CC1=CC=NO1 8634 [1,0,0,1,0,0|1,0,1]=4 186 B6R1.2 CC1=CNC=C1 13921 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.2 CC1=CNC=N1 7153 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.2 CC1=COC=C1 19993 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.2 CC1=COC=N1 23604 [1,0,0,1,0,0|1,0,1]=4 190 B6R1.2 CC1=CSC=C1 5565 [1,0,0,1,0,0|1,1,0]=4 191 B6R1.2 CC1=CSC=N1 23683 [1,0,0,1,0,0|1,1,0]=4 192 B6R1.2 CC1=NC=CN1 8049 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 CC1=NC=CS1 15749 [1,0,0,1,0,0|1,1,0]=4 194 B6R1.2 O=C1C=CCC1 9803 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.2 O=C1C=CCN1 23871 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 O=C1CC=CC1 12654 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 O=C1CC=NN1 23623 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.2 O=C1CCCC1 30304 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.2 O=C1CCCN1 19110 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.2 O=C1CCNC1 21931 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 O=C1CCSC1 5575 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 O=C1NC=CN1 18114 [1,0,0,1,0,0|2,0,0]=4 204 B6R1.2 O=C1NCCO1 8624 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 SC1=NC=CO1 24604 [1,0,0,1,0,0|1,1,0]=4 206 B6R1.11 CC(=O)C1CC1 16205 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.3 CC1=CC=C(C)N=N1 20402 [0,0,0,1,0,1|2,0,0]=4 208 B8R1.3 CC1=CN=C(C)C=C1 20994 [0,0,0,1,0,1|2,0,0]=4 209 B8R1.3 CC1=CN=C(C)C=N1 8608 [0,0,0,1,0,1|2,0,0]=4 210 B8R1.3 CC1=NNC(=O)C=C1 28171 [0,0,0,1,0,1|1,0,1]=4 211 B8R1.3 O=C1CCC(=O)CC1 13686 [0,0,0,1,0,1|2,0,0]=4 212 B8R1.3 O=C1CCC(=O)NC1 20071 [0,0,0,1,0,1|2,0,0]=4 213 B8R1.23 C=C1CC(C(=O)O)C1 36024 [0,0,0,1,0,1|2,0,0]=4 214 B8R1.1 CC1=CC=C(C=O)O1 9971 [0,1,0,1,0,0|0,0,1]=3 215 B8R1.1 CC1=CC=C(C=O)S1 5205 [0,1,0,1,0,0|0,1,1]=4 216 B8R1.1 CC1=CC=C(CN)O1 6995 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.1 CC1=CC=C(CO)O1 9804 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.1 CC1=CSC(C=O)=N1 15253 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.1 CC1=NC(CCl)=CS1 15753 [0,1,0,1,0,0|1,1,0]=4 220 B8R1.1 CCC1=NC(C)=CN1 15974 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.1 CCC1=NC(C)=CS1 9939 [0,1,0,1,0,0|1,1,0]=4 222 B8R1.1 COC1=CC=C(O)O1 22256 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.1 O=C1C=C[C@@H](CO)O1 7063 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.1 O=C1CCC(CO)O1 21691 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.1 O=CC1=CC=C(Br)O1 27066 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.4 CC1=CC(C)=NC=C1 20508 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.4 CC1=CC(C)=NC=N1 21498 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 CC1=CC=CC(C)=N1 14295 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1=CC=CC(C)=N1 15897 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1=CN=CC(C)=N1 8609 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.4 NC1=CC(=O)CCC1 14449 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.4 O=C1CCCC(=O)C1 11104 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.4 O=C1CCCC(=O)O1 36227 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.4 O=C1CCNC(=O)C1 22543 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.4 O=C1CCNC(=O)N1 35825 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.4 O=C1CNCC(=O)N1 22665 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.4 O=C1COCC(=O)C1 23922 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.4 O=C1COCC(=O)O1 24329 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.18 CC1=C(C)OC(=O)O1 2328 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.18 CC1=C(C)OC(N)=N1 23942 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.18 CC1=NC(C)=C(Br)S1 9878 [0,1,0,1,0,0|1,1,0]=4 246 B8R1.18 CC1=NC(C)=C(C)O1 8636 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.18 CC1=NN(C)C(=O)C1 8412 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.18 N[C@@H]1CC(=O)OC1=O 17187 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.18 O=C1CC(Br)C(=O)N1 2378 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.18 O=C1CC(O)C(=O)N1 24503 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.18 O=C1C[C@H](O)C(=O)N1 24502 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.50 CC1=C(O)C(=O)CO1 7034 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.50 CC1C(=O)CCC1=O 2206 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.50 O=C1CCC(=O)N1Cl 13763 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.50 O=C1CCC(=O)N1I 12908 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.50 O=C1CCC(=O)N1O 10972 [0,1,0,1,0,0|2,0,0]=4 257 B8R0.28 CC(=O)CCC=C(C)C 35423 [0,0,0,0,0,2|1,0,1]=4