0 B4R0.1 C=C(C)C#N 8420357 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=C(C)CCl 2825437 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=CC(=C)C 22430632 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=CC(=O)O 2825263 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=CC(C)=O 4434968 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 CC(=O)C=O 2825264 [0,0,0,0,0,0|0,0,4]=4 6 B4R0.1 CC(=O)CBr 2818247 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 CC(=O)CCl 2825445 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC(=O)CN 15296922 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 CC(=O)CO 2825282 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.1 CC(=O)NN 1778530 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CC(C)=NO 2816596 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(C)C#N 1519459 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CC(C)C=O 2825266 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 CC(C)CBr 2827161 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CC(C)CN 1201821 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CC(C)CO 2825285 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 CC(C)NN 11186491 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 CC(C)[Mg]Cl 22430581 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC(Cl)CN 22430566 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CC(N)CN 2825289 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(O)CN 2825298 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 CCC(=O)Cl 1051693 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 CCC(=O)O 14605034 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 CCC(C)=O 3585902 [0,0,0,0,0,0|1,0,2]=3 25 B4R0.1 CCC(C)Br 2818248 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CCC(C)N 1146656 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CCC(C)O 2825288 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 CCC(N)=O 1375166 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 CCN(C)C 5221370 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 CC[N+](=O)[O-] 2825295 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CN(C)C#N 22430679 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 COC(Cl)Cl 2817081 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 C[C@H](N)CO 7020694203 [0,0,0,0,0,0|1,0,0]=1 34 B4R0.1 C\C(Cl)=C/Cl 22430536 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.1 C\C(N)=N\O 4434544 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 NC(=O)CCl 2825454 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 NC(=O)CS 3474154 [0,0,0,0,0,0|1,1,2]=4 38 B4R0.1 NC(=O)NO 4666717 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.1 NCC(=O)O 2825296 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 NCC(=O)O 5753509 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 O=C(Cl)CCl 2825844 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 O=C(O)CBr 2827321 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 O=C(O)CCl 2825462 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 O=C(O)CI 2928692 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 O=C(O)CO 2825300 [0,0,0,0,0,0|1,0,1]=2 46 B4R0.1 O=C(O)CS 2119848 [0,0,0,0,0,0|1,1,1]=3 47 B4R0.1 O=C([O-])CS 6057377 [0,0,0,0,0,0|1,1,2]=4 48 B4R0.1 O=CC(=O)O 2825277 [0,0,0,0,0,0|1,0,3]=4 49 B3R0.1 BrCCBr 2931541 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 C#CCBr 22430369 [1,0,0,0,0,0|1,0,2]=4 51 B3R0.1 C#CCO 6057505 [1,0,0,0,0,0|0,0,2]=3 52 B3R0.1 C=CCBr 2826145 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.1 C=CCCl 2825308 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.1 C=CCN 3643807 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 CCC#N 1519460 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 CCC=O 2825243 [1,0,0,0,0,0|0,0,2]=3 57 B3R0.1 CCCBr 2826200 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.1 CCCI 2843705 [1,0,0,0,0,0|1,0,0]=2 59 B3R0.1 CCCN 2825249 [1,0,0,0,0,0|1,0,0]=2 60 B3R0.1 CN=C=S 2825274 [1,0,0,0,0,0|1,1,1]=4 61 B3R0.1 CNOC 2825501 [1,0,0,0,0,0|3,0,0]=4 62 B3R0.1 COC=O 13507909 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 CSSC 2816694 [1,0,0,0,0,0|3,0,0]=4 64 B3R0.1 ClCCBr 2819184 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.1 FCCBr 22430481 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.1 N#CCCl 2825299 [1,0,0,0,0,0|2,0,1]=4 67 B3R0.1 N#CCN 22430542 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 NCCCl 2825973 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.1 NCCN 3585805 [1,0,0,0,0,0|2,0,0]=3 70 B3R0.1 NCCO 3585939 [1,0,0,0,0,0|1,0,0]=2 71 B3R0.1 NCCS 2119122 [1,0,0,0,0,0|1,1,0]=3 72 B3R0.1 NCCS 22430522 [1,0,0,0,0,0|1,1,0]=3 73 B3R0.1 N\C=N\O 6923389 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.1 O=CCCl 2825311 [1,0,0,0,0,0|1,0,2]=4 75 B3R0.1 OCCBr 2826257 [1,0,0,0,0,0|1,0,0]=2 76 B3R0.1 OCCCl 2825315 [1,0,0,0,0,0|1,0,0]=2 77 B3R0.1 OCCF 22430618 [1,0,0,0,0,0|1,0,0]=2 78 B3R0.1 OCCS 2121589 [1,0,0,0,0,0|0,1,0]=2 79 B3R0.2 CC(=N)N 2825466 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.2 CC(=N)S 22430621 [1,0,0,0,0,0|1,1,1]=4 81 B3R0.2 CC(=O)O 22430651 [1,0,0,0,0,0|0,0,2]=3 82 B3R0.2 CC(=O)O 2825250 [1,0,0,0,0,0|0,0,2]=3 83 B3R0.2 CC(=O)O 2825650 [1,0,0,0,0,0|0,0,2]=3 84 B3R0.2 CC(=O)S 6057532 [1,0,0,0,0,0|0,1,2]=4 85 B3R0.2 CC(=O)[O-] 22430506 [1,0,0,0,0,0|0,0,3]=4 86 B3R0.2 CC(C)Br 2826201 [1,0,0,0,0,0|1,0,0]=2 87 B3R0.2 CC(C)Cl 8563287 [1,0,0,0,0,0|1,0,0]=2 88 B3R0.2 CC(C)I 2843704 [1,0,0,0,0,0|1,0,0]=2 89 B3R0.2 CC(C)N 22430489 [1,0,0,0,0,0|1,0,0]=2 90 B3R0.2 CC(C)N 2825248 [1,0,0,0,0,0|1,0,0]=2 91 B3R0.2 CC(C)S 2816601 [1,0,0,0,0,0|0,1,0]=2 92 B3R0.2 CC(N)=O 2825246 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.2 CC(N)=S 2043866 [1,0,0,0,0,0|1,1,1]=4 94 B3R0.2 CN(C)N 1778527 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.2 C[N+](=O)[O-] 6057031 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.2 C[S+](C)C 22430468 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.2 O=[N+]([O-])O 22430585 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CC(=O)CCN 1513437 [0,1,0,0,0,0|1,0,2]=4 99 B5R0.1 CC(C)=CCBr 22430446 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CC(C)CC=O 2825368 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.1 CC(C)CCBr 2829190 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.1 CC(C)CCCl 2825683 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.1 CC(C)CCN 22430471 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.1 CC(C)CCN 2825383 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.1 CC(C)CCO 2825400 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.1 CC(O)CNN 2630835 [0,1,0,0,0,0|1,0,0]=2 107 B5R0.1 CCCC(=O)O 2825391 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.1 CCCC(C)=O 1366507 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 CCOC(C)=N 6849557 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CN(C)CCCl 3463724 [0,1,0,0,0,0|3,0,0]=4 111 B5R0.1 CN(C)CCN 1901621 [0,1,0,0,0,0|3,0,0]=4 112 B5R0.1 CN(C)CCO 1275578 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.1 CNCC(=O)O 1972908 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.1 CNCC(C)O 1366510 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.1 COCC(=O)Cl 1375180 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.1 COCC(=O)O 2825420 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.1 COCC(C)O 2816677 [0,1,0,0,0,0|0,0,0]=1 118 B5R0.1 COCC(N)=O 1375171 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.1 COCC(N)=S 2043868 [0,1,0,0,0,0|1,1,1]=4 120 B5R0.1 N#CCC(=O)O 1519400 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.1 NCCC(=O)O 2825410 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.1 O=C(O)CCBr 2829509 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 O=C(O)CCCl 2825726 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.1 O=C(O)CCO 2255842 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.1 O=C(O)CCS 2825675 [0,1,0,0,0,0|1,1,1]=4 126 B5R0.3 BrCC(Br)CBr 22430682 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.3 CCC(=O)CC 2825371 [0,1,0,0,0,0|1,0,2]=4 128 B5R0.3 CCC(C)CO 2816664 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 CCC(N)CO 2204675 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 CCN(N)CC 1778548 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.3 CNC(=O)CCl 7020410071 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.3 COC(=O)CBr 2820342 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.3 COC(=O)CCl 2825724 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.3 COC(=O)CI 4787273 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.3 COC(=O)CN 2826298 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.3 COC(=O)CS 2825674 [0,1,0,0,0,0|0,1,2]=4 137 B5R0.3 O=C(CCl)CCl 2826373 [0,1,0,0,0,0|1,0,2]=4 138 B5R0.3 O=C(CO)CO 22430589 [0,1,0,0,0,0|0,0,2]=3 139 B5R0.3 O=CC(=O)CO 3354149 [0,1,0,0,0,0|0,0,3]=4 140 B5R0.3 OC(CCl)CCl 2817718 [0,1,0,0,0,0|1,0,0]=2 141 B5R0.3 OCC(O)CCl 2825766 [0,1,0,0,0,0|0,0,0]=1 142 B5R0.3 OCC(O)CO 2825442 [0,1,0,0,0,0|0,0,0]=1 143 B5R0.3 OCC(O)CS 22430414 [0,1,0,0,0,0|0,0,0]=1 144 B5R0.4 CC(C)(Br)C#N 3668482 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.4 CC(C)(C)C#N 2816615 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.4 CC(C)(C)NN 6849649 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.4 CC(C)(N)C#N 7213780003 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.4 CC(C)(N)CO 2825414 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.4 CC(C)(O)C#N 2825351 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.4 CC(C)(O)CN 7020694197 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.4 CCS(C)(=O)=O 1115483 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.4 CS(=O)(=O)NO 1778599 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.4 C[Si](C)(C)CCl 2826198 [0,1,0,0,0,0|2,1,0]=4 154 B5R0.4 OCC(F)(F)F 2825547 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.5 C=C(C)C(=O)O 2825357 [0,1,0,0,0,0|1,0,2]=4 156 B5R0.5 CC(=O)C(=O)O 2825388 [0,1,0,0,0,0|0,0,3]=4 157 B5R0.5 CC(=O)C(C)C 2825372 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.5 CC(=O)C(C)Cl 2825681 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.5 CC(=O)C(C)O 2825393 [0,1,0,0,0,0|0,0,2]=3 160 B5R0.5 CC(Br)C(=O)O 2829508 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.5 CC(C)C(=O)Cl 1051695 [0,1,0,0,0,0|1,0,2]=4 162 B5R0.5 CC(C)C(=O)O 1201986 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.5 CC(C)C(N)=O 1375169 [0,1,0,0,0,0|1,0,2]=4 164 B5R0.5 CC(C)C(N)=S 2043864 [0,1,0,0,0,0|1,1,1]=4 165 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.5 CC(Cl)C(N)=O 2825697 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.5 CC(N)C(=O)O 7216850010 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.5 CC(N)C(C)N 5008336 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.5 CC(O)C(=O)O 2825419 [0,1,0,0,0,0|0,0,1]=2 170 B5R0.5 CC(O)C(C)O 2825429 [0,1,0,0,0,0|0,0,0]=1 171 B5R0.5 CC(S)C(=O)O 2120474 [0,1,0,0,0,0|0,1,1]=3 172 B5R0.5 C[C@H](N)C(=O)O 22430475 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.5 O=C(O)C(Cl)Cl 2826549 [0,1,0,0,0,0|2,0,1]=4 174 B5R1.2 BrC1CCC1 22430603 [0,0,0,1,0,0|2,0,0]=3 175 B5R1.2 O=C1COC1 3463696 [0,0,0,1,0,0|0,0,2]=3 176 B5R1.2 OC1CNC1 3488477 [0,0,0,1,0,0|1,0,0]=2 177 B5R1.2 OC1COC1 5005520 [0,0,0,1,0,0|0,0,0]=1 178 B5R1.2 OC1CSC1 3354159 [0,0,0,1,0,0|0,1,0]=2 179 B5R1.3 ClCC1CO1 2825444 [0,0,0,1,0,0|1,0,0]=2 180 B5R1.3 N#CC1CC1 3630580 [0,0,0,1,0,0|2,0,1]=4 181 B5R1.3 OCC1CC1 1867144 [0,0,0,1,0,0|1,0,0]=2 182 B2R0.1 BrCBr 2846774 [2,0,0,0,0,0|2,0,0]=4 183 B2R0.1 CC=O 3585877 [2,0,0,0,0,0|0,0,2]=4 184 B2R0.1 CCI 2830268 [2,0,0,0,0,0|1,0,0]=3 185 B2R0.1 CCN 6057187 [2,0,0,0,0,0|1,0,0]=3 186 B2R0.1 CNC 6057150 [2,0,0,0,0,0|1,0,0]=3 187 B2R0.1 CON 1270718 [2,0,0,0,0,0|2,0,0]=4 188 B2R0.1 NCC 22430626 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.2 BrCCCBr 3037079 [1,1,0,0,0,0|1,0,0]=3 190 B4R0.2 C=COCC 2825267 [1,1,0,0,0,0|1,0,1]=4 191 B4R0.2 CCCC#N 1519455 [1,1,0,0,0,0|1,0,0]=3 192 B4R0.2 CCCC=O 2825265 [1,1,0,0,0,0|0,0,1]=3 193 B4R0.2 CCCCBr 2827160 [1,1,0,0,0,0|1,0,0]=3 194 B4R0.2 CCCCI 2926274 [1,1,0,0,0,0|1,0,0]=3 195 B4R0.2 CCCCN 2825276 [1,1,0,0,0,0|1,0,0]=3 196 B4R0.2 CCCCO 2825287 [1,1,0,0,0,0|0,0,0]=2 197 B4R0.2 CCN=C=S 2825382 [1,1,0,0,0,0|0,1,1]=4 198 B4R0.2 CCNCC 2825275 [1,1,0,0,0,0|1,0,0]=3 199 B4R0.2 CNCCCl 11181174 [1,1,0,0,0,0|1,0,0]=3 200 B4R0.2 CNCCO 1869577 [1,1,0,0,0,0|0,0,0]=2 201 B4R0.2 COCCN 1147288 [1,1,0,0,0,0|1,0,0]=3 202 B4R0.2 COCCO 2825301 [1,1,0,0,0,0|0,0,0]=2 203 B4R0.2 COCOC 2825302 [1,1,0,0,0,0|1,0,0]=3 204 B4R0.2 COCON 6249814 [1,1,0,0,0,0|1,0,0]=3 205 B4R0.2 CSCC#N 2120662 [1,1,0,0,0,0|1,0,1]=4 206 B4R0.2 ClCCCBr 2830992 [1,1,0,0,0,0|1,0,0]=3 207 B4R0.2 N#CCCCl 2825416 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 N#CCON 9080699 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.2 NCCCBr 3189256 [1,1,0,0,0,0|1,0,0]=3 210 B4R0.2 NCCCCl 2826653 [1,1,0,0,0,0|1,0,0]=3 211 B4R0.2 NCCCN 2825290 [1,1,0,0,0,0|1,0,0]=3 212 B4R0.2 NCCCO 2825297 [1,1,0,0,0,0|0,0,0]=2 213 B4R0.2 NOCCO 1444402 [1,1,0,0,0,0|0,0,0]=2 214 B4R0.2 OCCCBr 3585831 [1,1,0,0,0,0|0,0,0]=2 215 B4R0.2 OCCCCl 2825464 [1,1,0,0,0,0|0,0,0]=2 216 B4R0.2 OCCCO 2825304 [1,1,0,0,0,0|0,0,0]=2 217 B4R0.2 SCCC#N 2121354 [1,1,0,0,0,0|0,1,1]=4 218 B4R0.2 SCCCS 2825722 [1,1,0,0,0,0|0,1,0]=3 219 B4R0.3 CC(C)(C)Cl 2816686 [1,1,0,0,0,0|1,0,0]=3 220 B4R0.3 CC(C)(C)N 1188082 [1,1,0,0,0,0|1,0,0]=3 221 B4R0.3 CC(C)(C)O 2825286 [1,1,0,0,0,0|0,0,0]=2 222 B4R0.3 CC(C)(C)S 2825433 [1,1,0,0,0,0|0,1,0]=3 223 B4R0.3 CS(=O)(=O)O 2816712 [1,1,0,0,0,0|1,0,1]=4 224 B4R0.3 C[S+](C)(C)=O 22430502 [1,1,0,0,0,0|1,0,1]=4 225 B4R0.3 C[Si](C)(C)Cl 2825729 [1,1,0,0,0,0|1,1,0]=4 226 B4R0.3 O=S(=O)(O)O 22430399 [1,1,0,0,0,0|2,0,0]=4 227 B4R0.3 O=S(=O)(O)O 22430587 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.1 CCC(C)N=C=O 1055523 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.1 CCN(C)CCO 1901644 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.1 CNC(=O)CON 6249823 [0,2,0,0,0,0|0,0,2]=4 231 B6R0.1 O=C(CCl)NCO 2826223 [0,2,0,0,0,0|0,0,2]=4 232 B6R0.2 CC(=O)CC(C)C 1366516 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.2 CC(C)CC(=O)Cl 1051698 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.2 CC(C)CC(=O)O 2825611 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.2 CC(C)NC(C)C 14659252 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.2 CC(C)NC(C)C 7018704991 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.2 CN(C)CC(=O)O 15386257 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.2 O=C(O)CC(=O)O 2825643 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.3 CC(C)C(=O)CO 3515356 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.3 CC(C)C(N)C#N 1972915 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 CC(CO)[N+](=O)[O-] 1444408 [0,2,0,0,0,0|0,0,1]=3 242 B6R0.3 CCC(Br)C(=O)O 2842265 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.3 CCC(C)C(=O)O 1202010 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.3 CCC(N)C(=O)O 2825633 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.3 COC(=N)C(C)C 22430518 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.3 COC(=O)C(C)C 2825605 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.3 COC(=O)C(C)Cl 2826193 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.3 COC(=O)C(C)N 4434594 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.3 NC(=O)C(N)CO 7010426 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.3 NC(CS)C(=O)O 7216850007 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.3 NC(CS)C(=O)O 7216850009 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.3 O=CC(O)C(=O)O 3664128 [0,2,0,0,0,0|0,0,2]=4 255 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.4 CC(C)CN=C=O 1055522 [0,2,0,0,0,0|1,0,1]=4 257 B6R0.4 CC(C)OCCBr 2842268 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.4 CC(C)OCCN 1147316 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.4 CC(C)OCCO 2825651 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.4 CCCNC(C)C 1366523 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.4 CN(C)CCCO 1275604 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.4 COCCC(=O)O 2816856 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.5 CC(C)(C)CCBr 2823818 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.5 CC(C)(C)CCCl 2826144 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.5 CC(C)(C)CCO 2204684 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.5 CC(C)(N)CON 5246700 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.5 CNCC(C)(C)C 1778570 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.8 CC(C)(C#N)CN 3664010 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.8 CC(C)(CN)CO 2204690 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.8 CC(C)(CO)CO 1972924 [0,2,0,0,0,0|0,0,0]=2 271 B6R0.8 COC(C)(C)OC 2816863 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.9 CCC(C#N)CC 2825499 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.9 CCC(CC)CN 2264875 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.9 CCC(CC)CO 2204661 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.9 COC(CCl)OC 2826255 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.9 COC(CN)OC 1655116 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.9 COC(OC)OC 2825670 [0,2,0,0,0,0|2,0,0]=4 278 B6R0.7 CC(C)(C)C(=O)O 2825608 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.7 CC(C)(N)C(=O)O 22430391 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.7 CC(C)(O)C(=O)O 22430496 [0,2,0,0,0,0|0,0,1]=3 281 B6R0.7 CC(C)C(C)(C)N 1191426 [0,2,0,0,0,0|2,0,0]=4 282 B6R0.7 OC(O)C(Cl)(Cl)Cl 2824001 [0,2,0,0,0,0|2,0,0]=4 283 B4R1.2 CC1CO1 2825245 [1,0,0,1,0,0|0,0,0]=2 284 B4R1.2 NC1CC1 2825240 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.2 BrC1CCCC1 2828971 [0,1,0,1,0,0|2,0,0]=4 286 B6R1.2 ClC1CCCC1 2816877 [0,1,0,1,0,0|2,0,0]=4 287 B6R1.2 NC1CCCC1 2825355 [0,1,0,1,0,0|2,0,0]=4 288 B6R1.2 OC1CCCC1 2825370 [0,1,0,1,0,0|1,0,0]=3 289 B6R1.2 OC1CCNC1 22588262 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.2 OC1CCOC1 15296955 [0,1,0,1,0,0|0,0,0]=2 291 B6R1.11 CC(O)C1CC1 1039331 [0,1,0,1,0,0|1,0,0]=3 292 B6R1.11 O=C(O)C1CC1 2825360 [0,1,0,1,0,0|1,0,1]=4