0 B6R0.5 CC(C)(C)CC=O MC20142 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.5 CC(C)(C)CCO CS21905 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 CC(C)(F)CCN MC116087 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CC(C)(O)CCBr CS15788 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.5 CC(C)(O)CON MC427561 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.5 CS(=O)(=O)CCN CS21301 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.5 C[Si](C)(C)C=[N+]=[N-] MC116193 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|0,0,3]=4 15 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|0,0,1]=2 20 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.4 CC(C)(C)C#N MC10368 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.4 CC(C)(C)C=O MC20070 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.4 CC(C)(C)CN CS11775 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.4 CC(C)(C)ON CS11824 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.4 CC(C)(C)[Zn]Br MC121336 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.4 CC(C)(F)CO MC429446 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.4 CC(C)(N)CN MC443126 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.4 CC(C)(O)CN CS20593 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.4 CC(C)(S)CN MC434042 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.4 CC(F)(F)CO MC429356 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.8 C[N+](C)(C)CCCBr CS20170 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.8 C[Si](C)(C)C#CCN MC107780 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,0|0,0,1]=2 38 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.9 C[Si](C)(C)CB(O)O MC114491 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.11 COCC(C)(C)CN MC418388 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.11 COCC(C)(C)CN MC431431 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.14 CC1(O)CCCC1 CS20768 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.14 CC1(O)CCNC1 MC107172 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.16 OC1CC(F)(F)C1 MC430977 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.23 OCC1CC1(F)F MC429452 [0,0,0,1,0,0|3,0,0]=4 53 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|0,0,1]=3 64 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.3 CC(C)(C)Br MC41863 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.3 CC(C)(C)Cl MC41875 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.3 CC(C)(C)[O-] MC10621 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.3 CC(C)(C)[O-] MC21066 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.3 C[N+](C)(C)C CS12014 [2,0,0,0,0,0|0,0,0]=2 70 B4R0.3 C[N+](C)(C)C CS12015 [2,0,0,0,0,0|0,0,0]=2 71 B4R0.3 C[Pt](C)(C)I MC445016 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.3 C[S+](C)(C)=O CS12054 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.3 C[Si](C)(C)Br MC21154 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.3 C[Si](C)(C)Cl MC41877 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.2 CC(C)CB(O)O CS22276 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|0,0,2]=4 80 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.3 CC(O)C(N)CO MC438221 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.4 CN(C)CCCBr CS22184 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.4 CN(C)CCCCl CS13505 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.4 CN(C)CCCCl CS14943 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.4 CNCCN(C)C CS11723 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.4 CNCCN(C)C CS15131 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.7 CC(=O)C(C)(C)C MC41940 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.7 CC(C)(C)C(=O)O CS11866 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.8 CC(C)(C#N)CO CS13572 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.8 CC(C)(C=O)CO MC21089 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.8 CC(C)(CBr)CBr CS20516 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.8 CC(C)(CN)CO CS22037 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.30 C=CC[N+](C)(C)CC=C CS11220 [0,2,0,0,0,0|1,0,1]=4 104 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.3 NCCN1CC1 MC100405 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.5 CN1CC(N)C1 MC444125 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.5 CN1CC(O)C1 MC444271 [1,0,0,1,0,0|0,0,1]=3 121 B6R1.5 CN1CC(O)C1 MC444272 [1,0,0,1,0,0|0,0,1]=3 122 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.5 OC1CC(F)C1 MC103711 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.5 OC1CC(F)C1 MC104375 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.5 OC1CC(F)C1 MC104868 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.7 NC1(CO)CC1 CS13349 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.7 NC1(CO)CC1 MC113084 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.53 CC1(C)CC(CBr)C1 MC104311 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.53 CC1(C)CC(CBr)O1 MC115755 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.53 CC1(C)CC(CI)O1 MC102911 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.53 CC1(C)CC(CN)C1 MC104310 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.53 CC1(C)CC(CO)O1 MC115663 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.52 NC1(CO)CCOC1 MC103469 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.66 NC1(CCO)COC1 MC105159 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.66 OCCC1(F)COC1 MC102472 [0,1,0,1,0,0|2,0,0]=4 157 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,2,0,0|2,0,0]=4