0 B8R0.22 C(CO)N(CCO)N=O N159088 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.22 C(CO)N(CCO)N=O N345148 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.22 CCC(OCC)OCC P160796 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.22 CCCC(CC)CCC E156246 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.22 CCCC(CCC)C#N P492425 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.22 CCCC(CCC)CO P337911 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.22 CCCC(CCO)SC M102904 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.22 CCCN(CC)CCC N159018 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.22 CCCN(CCC)C=O D124598 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.22 CCCN(CCC)N=O N114392 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.22 CCCN(CCC)N=O N118829 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.22 CCN(CCO)CCO N138207 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.7 CC(CCO)CCO M157872 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.7 CCCC(=O)CCC H103840 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.7 CCCC(=O)CCC H103841 [1,0,0,0,0,0|1,1,1]=4 15 B7R0.7 CCCC(C)CCC M113651 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 CCCC(CCC)N H156930 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.7 CCCC(CCC)O H156873 [1,0,0,0,0,0|1,1,0]=3 18 B7R0.7 CCCC(CCO)S M102905 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.7 CCCN(C)CCC I169711 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.7 CCOC(=O)CCO E185621 [1,0,0,0,0,0|1,1,1]=4 21 B7R0.7 CCOC(C)OCC A109196 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.7 CCOC(C)OCC A109197 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.7 CN(CCCl)CCCl M113888 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.7 CN(CCCl)CCCl M424747 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.7 CN(CCN)CCN D155080 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.7 CN(CCO)CCO M105602 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.7 CN(CCO)CCO M105603 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.12 CCN(CC)CCBr D154672 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.12 CCN(CC)CCN D105350 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.12 CCN(CC)CCN N404368 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.12 CCN(CC)CCO D105707 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.12 CCN(CC)CCO D131743 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.12 CCN(CCO)N=O N158964 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.12 CNCC(OC)OC M102352 [1,0,0,0,0,0|2,1,0]=4 35 B7R0.12 COC(CCBr)OC B153148 [1,0,0,0,0,0|2,1,0]=4 36 B7R0.12 COC(CSC)OC M133839 [1,0,0,0,0,0|2,1,0]=4 37 B7R0.12 COCC(OC)OC T162575 [1,0,0,0,0,0|2,1,0]=4 38 B9R0.15 CCCC(CCC)C(=O)Cl P160116 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.15 CCCC(CCC)C(=O)N V357981 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.15 CCCC(CCC)C(=O)O D412711 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.15 CCCC(CCC)C(=O)O V298968 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.15 CCCC(CCC)C(=O)O V427227 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.15 CCCC(CCC)C(=O)[O-] S161023 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.15 CCCC(CCC)C(O)=O D408831 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.17 C(CN(CCO)CCO)N N333562 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.17 C(CO)N(CCO)CCO T103911 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.17 C(CO)N(CCO)CCO T103912 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.17 C(CO)N(CCO)CCO T108150 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.17 C(CO)N(CCO)CCO T108151 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.17 C(CO)N(CCO)CCO T108153 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.17 C(CO)N(CCO)CCO T108154 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.17 C(CO)N(CCO)CCO T161620 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.17 C(CO)N(CCO)CCO T478536 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.17 C(CO)N(CCO)CCO T489274 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.17 CCCN(CCC)CCC C331229 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.17 CCCN(CCC)CCC T103837 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.17 CCCN(CCC)CCC T103839 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.17 CCC[Si](CCC)CCC T357382 [0,1,0,0,0,0|2,1,0]=4 59 B9R0.17 CCOC(CCN)OCC A303678 [0,1,0,0,0,0|2,1,0]=4 60 B9R0.17 CCOC(CCO)OCC D472286 [0,1,0,0,0,0|1,1,0]=3 61 B9R1.2 C1CC(CC(C1)N)C#N C587158 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.2 CCC1CCCC(C1)C E156078 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.2 CCN1CCCC(C1)O E156421 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.8 C#CCC1CCCCC1 C111193 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.8 C1CCC(=CC1)CCN C153571 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.8 C1CCC(CC1)CC#N C589137 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.8 C1CCC(CC1)CCBr B113782 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.8 C1CCC(CC1)CCN C153966 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.8 C1CCC(CC1)CCO C153306 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.8 C1CCC(CC1)OCCl C153433 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.8 C1CCN(CC1)CCCl C113518 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.8 C1CCN(CC1)CCN A113914 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.8 C1CCN(CC1)CCN P189302 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.8 C1CCN(CC1)CCO H113280 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.8 C1CCNC(C1)CCO P160104 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.8 C1CCNC(C1)CCO R195067 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.8 C1CCNC(C1)CCO S186630 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.8 C1CCNC(C1)CCO S189442 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.8 C1CN(CCN1)CCO H101744 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.8 C1CNCCC1CCO P121582 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.8 C1CNCCC1CCO P590668 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.8 C1COC(OC1)CCBr B113749 [0,0,0,1,0,0|2,1,0]=4 83 B9R1.8 C1COCCC1CCN A184236 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.8 C1COCCC1CCN A482649 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.8 C1COCCN1CCBr B184492 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.8 C1COCCN1CCCl C133320 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.8 C1COCCN1CCN M108995 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.8 C1COCCN1CCO H100457 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.8 C=CCC1CCCCC1 A151092 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.8 CCCC1CCCCC1 P160285 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.8 CCCN1CCNCC1 P160720 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.8 CCCN1CCNCC1 P588168 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.8 CCNC1CCCCC1 E124549 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.8 COCC1CCNCC1 M176390 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.8 COCC1CCNCC1 M195826 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.14 CCN1CCCC1CN A102507 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.14 CCN1CCCC1CN A110239 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.14 CCN1CCCC1CN R300604 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.33 C1CC(=O)N(C1)CCO H124555 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.33 C1CC(=O)N(C1)CCO H299071 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.33 CN1CCCC1CCN A102047 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.33 CN1CCCC1CCO M102052 [0,0,0,1,0,0|1,0,0]=2 103 B6R0.1 C(CO)C(CO)O B105549 [2,0,0,0,0,0|1,1,0]=4 104 B6R0.1 C(CO)C(CO)O B118474 [2,0,0,0,0,0|1,1,0]=4 105 B6R0.1 C(CO)C(CO)O R472595 [2,0,0,0,0,0|1,1,0]=4 106 B6R0.1 C(CO)C(CO)O S102777 [2,0,0,0,0,0|1,1,0]=4 107 B6R0.1 CC(CC=O)SC M102934 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.1 CC(CCO)OC M102190 [2,0,0,0,0,0|0,1,0]=3 109 B6R0.1 CC(COC)OC D155537 [2,0,0,0,0,0|1,1,0]=4 110 B6R0.1 CCC(C)OCC S161060 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.1 CCC(CCN)N D155073 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.1 CCC(COC)N A151357 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.1 CCC(COC)O M158749 [2,0,0,0,0,0|1,1,0]=4 114 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|0,1,1]=4 115 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|0,0,2]=4 116 B6R0.1 CCCC(C#C)O H101580 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.1 CCCC(C)C=O M158691 [2,0,0,0,0,0|0,0,2]=4 118 B6R0.1 CCCC(C)CC M158521 [2,0,0,0,0,0|0,0,0]=2 119 B6R0.1 CCCC(C)CO M113625 [2,0,0,0,0,0|0,0,0]=2 120 B6R0.1 CCCC(C=C)O H157268 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.1 CCCC(CC)Br B152444 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.1 CCCC(CC)Cl C153662 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.1 CCCC(CC)O H133955 [2,0,0,0,0,0|0,1,0]=3 124 B6R0.1 CCCC(CO)N D333561 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.1 CCCC(CO)N I168777 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.1 CCCC(CO)O P108068 [2,0,0,0,0,0|0,1,0]=3 127 B6R0.1 CNCC(CO)O M157918 [2,0,0,0,0,0|1,1,0]=4 128 B6R0.1 COCC(CO)O M135227 [2,0,0,0,0,0|1,1,0]=4 129 B6R0.6 C#CCCCCO H107735 [2,0,0,0,0,0|0,0,2]=4 130 B6R0.6 C(CCBr)CCBr D106538 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.6 C(CCCl)CCBr B109691 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.6 C(CCCl)CCCl D105687 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.6 C(CCF)CCBr B303673 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.6 C(CCI)CCI D155300 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.6 C(CCN)CCN D111805 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.6 C(CCN)CCN D121817 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 C(CCN)CCN D283638 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.6 C(CCN)CCN D421724 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.6 C(CCO)CCBr B135090 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.6 C(CCO)CCCl C153897 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.6 C(CCS)CCS P102332 [2,0,0,0,0,0|1,1,0]=4 145 B6R0.6 C(CNCCO)N H100512 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.6 C(CNCCO)N H100513 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.6 C(CO)NCCCl C588449 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.6 C(CO)NCCO D112357 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.6 C(CO)NCCO D112358 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.6 C(CO)NCCO D112360 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.6 C(CO)NCCO D112361 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.6 C(CO)NCCO D155708 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.6 C(CO)NCCO D301793 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.6 C(COCCBr)O B339979 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.6 C(COCCCl)O C118686 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.6 C(COCCI)O I586943 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.6 C(COCCO)N A109910 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.6 C(COCCO)N A301832 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.6 C(COCCO)O D110831 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.6 C(COCCO)O D110832 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.6 C(COCCO)O D110833 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.6 C(COCCO)O D110834 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.6 C(COCCO)O D476199 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|0,0,2]=4 165 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|0,0,2]=4 166 B6R0.6 CCC#CCCO H157360 [2,0,0,0,0,0|0,0,2]=4 167 B6R0.6 CCC=CCCO C426965 [2,0,0,0,0,0|0,0,2]=4 168 B6R0.6 CCC=CCCO H112690 [2,0,0,0,0,0|0,0,2]=4 169 B6R0.6 CCC=CCCO L106205 [2,0,0,0,0,0|0,0,2]=4 170 B6R0.6 CCCC#CCO H157375 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.6 CCCC=CCO C153482 [2,0,0,0,0,0|0,0,2]=4 172 B6R0.6 CCCC=CCO H102077 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,2]=4 179 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,0]=2 198 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,0]=2 199 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,0]=2 200 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,0]=2 201 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|0,1,0]=3 203 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|0,1,0]=3 204 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCCOCCC P160596 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.6 CCCOCCCl C137234 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 CCCOCCN P160362 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.6 CCCSCCC D102909 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.6 CCOCCCN E156297 [2,0,0,0,0,0|2,0,0]=4 224 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.6 COCCCCBr B152834 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.9 B(CC)(CC)CC T106572 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.9 CCC(=CC)CC E156180 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.9 CCC(CC)C=O E156502 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.9 CCC(CC)CBr B152449 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.9 CCC(CC)CC E156241 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.9 CCC(CC)CCl C467301 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.9 CCC(CC)CO E109374 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.9 CCC(CO)OC M158746 [2,0,0,0,0,0|0,1,0]=3 238 B6R0.9 CCC(OC)OC P160797 [2,0,0,0,0,0|1,1,0]=4 239 B6R0.9 CCN(CC)CC F302957 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.9 CCN(CC)CC S161206 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.9 CCN(CC)CC T103284 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.9 CCN(CC)CC T103285 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.9 CCN(CC)CC T103287 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.9 CCN(CC)CC T103288 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.9 CCN(CC)CC T103289 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.9 CCN(CC)CC T103290 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.9 CCN(CC)CC T107263 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.9 CCN(CC)CC T108431 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.9 CCN(CC)CC T108432 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.9 CCN(CC)CC T140677 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.9 CCN(CC)CC T162216 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.9 CCN(CC)CC T189177 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.9 CCN(CC)CC T331003 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.9 CCN(CC)CC T345138 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.9 CCN(CC)CC T345383 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.9 CCN(CC)CC T431604 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.9 CCN(CC)CC T466164 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.9 CCP(CC)CC B300038 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.9 CCP(CC)CC C138296 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.9 CCP(CC)CC D129150 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.9 CCP(CC)CC T120625 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.9 CC[Al](CC)CC T434622 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.9 CC[O+](CC)CC T109785 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.9 CC[O+](CC)CC T168010 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.9 CC[Si](CC)CC T106570 [2,0,0,0,0,0|1,1,0]=4 266 B6R0.9 COC(CO)OC G136545 [2,0,0,0,0,0|1,1,0]=4 267 B8R0.1 CCCC(C)COC=O M158009 [1,1,0,0,0,0|0,0,2]=4 268 B8R0.1 CCCCC(CCC)O O159906 [1,1,0,0,0,0|1,1,0]=4 269 B8R0.5 CCCC(C)CC(=C)C D155264 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.5 CCCC(C)CC(C)C D155226 [1,1,0,0,0,0|1,0,0]=3 271 B8R0.5 CCCC(C)CC(C)C D414618 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.30 CCCC(C)(CCC)O M157913 [1,1,0,0,0,0|1,0,0]=3 273 B8R0.11 CCCCC(CC)C=O E156034 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.11 CCCCC(CC)CBr E110127 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.11 CCCCC(CC)CCl C102335 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.11 CCCCC(CC)CN E108992 [1,1,0,0,0,0|2,0,0]=4 277 B8R0.11 CCCCC(CC)CN E133205 [1,1,0,0,0,0|2,0,0]=4 278 B8R0.11 CCCCC(CC)CN E301663 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.11 CCCCC(CC)CO E101075 [1,1,0,0,0,0|1,0,0]=3 280 B8R0.11 CCCCC(CC)CO E101076 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.11 CCCCC(CC)CO E101078 [1,1,0,0,0,0|1,0,0]=3 282 B8R0.11 CCCCC(CC)CO E101080 [1,1,0,0,0,0|1,0,0]=3 283 B8R0.11 CCCCC(CC)CS E102329 [1,1,0,0,0,0|1,1,0]=4 284 B8R0.11 CCCCC(CC)C[O-] T189573 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.11 CCCCN(CC)CC I170392 [1,1,0,0,0,0|2,0,0]=4 286 B8R0.11 CCN(CC)CCCCl C302133 [1,1,0,0,0,0|2,0,0]=4 287 B8R0.11 CCN(CC)CCCN D105332 [1,1,0,0,0,0|2,0,0]=4 288 B8R0.11 CCN(CC)CCCN D615689 [1,1,0,0,0,0|2,0,0]=4 289 B8R0.11 CCN(CC)CCCN N404371 [1,1,0,0,0,0|2,0,0]=4 290 B8R0.11 CCN(CC)CCCO D135866 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.11 CCN(CC)CCNC N159350 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.11 COC(CCCCl)OC C133630 [1,1,0,0,0,0|1,1,0]=4 293 B8R0.11 COC(CCCN)OC A132534 [1,1,0,0,0,0|1,1,0]=4 294 B8R0.16 CCC(CC(C)C)CO E586299 [1,1,0,0,0,0|1,0,0]=3 295 B8R0.16 CCN(CC)CC(C)O D303726 [1,1,0,0,0,0|2,0,0]=4 296 B8R0.31 CCCC(C)(CO)CO M136037 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.31 CCC[N+](C)(CC)CC D154661 [1,1,0,0,0,0|2,0,0]=4 298 B10R0.79 CC(CN(CCO)CCO)O B152035 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.88 CCCC(CCCO)C(=O)[O-] R332311 [0,2,0,0,0,0|2,0,0]=4 300 B10R0.90 C(CN)CN(CCO)CCO A102524 [0,2,0,0,0,0|2,0,0]=4 301 B10R0.90 CCCCN(CCO)CCO B106251 [0,2,0,0,0,0|2,0,0]=4 302 B10R0.90 CCCCN(CCO)CCO B299095 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.4 C1CC(CC(C1)N)N C153345 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.4 C1CC(CC(C1)N)N C153347 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.4 C1CC(CC(C1)O)N A401771 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.4 C1CC(CC(C1)O)O C113215 [1,0,0,1,0,0|0,1,0]=3 307 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,1,0,0|0,0,2]=4 308 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|0,1,1]=4 309 B8R1.4 CC1CC(CNC1)C D137845 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.4 CC1CC(CNC1)C R587256 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|0,0,2]=4 312 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|0,0,2]=4 313 B8R1.4 CC1CCCC(C1)C C153348 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.4 CC1CCCC(C1)C D155810 [1,0,0,1,0,0|1,0,0]=3 315 B8R1.4 CC1CCCC(C1)N M139174 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.4 CC1CCCC(C1)O M106721 [1,0,0,1,0,0|0,0,0]=2 317 B8R1.4 CC1CCCC(N1)C C153870 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.4 CC1CCCC(N1)C D184826 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.4 CC1CCOC(O1)C D155542 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.4 CC1CN(CCN1)C S586446 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.4 CN1CCCC(C1)N M178062 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.4 CN1CCCC(C1)N R172190 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.4 CN1CCCC(C1)N S590641 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,1,0,0|0,0,0]=2 325 B8R1.8 C1CCN(C1)CCCl C139223 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.8 C1CCN(C1)CCN A121650 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.8 C1CCN(C1)CCN P405662 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.8 C1CCN(C1)CCO H140439 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.8 CCNC1CCNC1 R160848 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.11 CN1CCCC1CO M303525 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.11 CN1CCCC1CO S303491 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.22 C1CCCC(CC1)Br B152451 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.22 C1CCCC(CC1)Cl C153659 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.22 C1CCCC(CC1)N C153902 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|1,1,0]=4 337 B8R1.22 CN1CCCNCC1 M138837 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.66 C1C(CO1)(CCO)N A174483 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.1 C1C(CNC1CO)O R176579 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.1 C1C(CNC1CO)O S586151 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.1 CC1CCC(O1)CO T346390 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.1 CN1CCC(C1)CO R172594 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.2 C#CC1CCCCC1 C334521 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.2 C1CC(CNC1)CO P160105 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.2 C1CC(CNC1)CO S586410 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.2 C1CC(CNC1)CO S587257 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.2 C1CC(COC1)CO O174328 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.2 C1CCC(CC1)C#N C194969 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.2 C1CCC(CC1)CBr B121199 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.2 C1CCC(CC1)CN C138894 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.2 C1CCC(CC1)CN C303051 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.2 C1CCC(CC1)CN C493236 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.2 C1CCC(CC1)CO C106975 [1,0,0,1,0,0|1,0,0]=3 355 B8R1.2 C1CCC(CC1)NN C135804 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.2 C1CCC(CC1)NO I169027 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.2 C1CCNC(C1)CN P132846 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.2 C1CCNC(C1)CO P124723 [1,0,0,1,0,0|1,0,0]=3 359 B8R1.2 C1CCOC(C1)CBr B169755 [1,0,0,1,0,0|1,1,0]=4 360 B8R1.2 C1CCOC(C1)CO T161846 [1,0,0,1,0,0|0,1,0]=3 361 B8R1.2 C1CNCCC1CO P113833 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.2 C1COC(CN1)CO M586197 [1,0,0,1,0,0|1,1,0]=4 363 B8R1.2 C1COC(CO1)CO S193283 [1,0,0,1,0,0|1,1,0]=4 364 B8R1.2 C1COCC(N1)CO H179128 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.2 C1COCC(N1)CO M178522 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.2 C1COCCC1C#N O176474 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.2 C1COCCC1C=O F184847 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.2 C1COCCC1CBr B172996 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.2 C1COCCC1CN A151618 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.2 C1COCCC1CN A184237 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.2 C1COCCC1CO T161848 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.2 C=CC1CCCCC1 V162939 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.2 CCC1CCCCC1 E108913 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.2 CCC1CCCCC1 E108914 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.2 CCC1CCCCN1 E156420 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.2 CCC1CCCCN1 S467334 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.2 CCC1CCNCC1 E169556 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.2 CCC1COCCN1 R186382 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.2 CCN1CCCCC1 E110307 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.2 CCN1CCOCC1 E104658 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.2 CCN1CCOCC1 E104659 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.2 CNC1CCCCC1 M124516 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.2 CNC1CCCNC1 M124375 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.2 COC1CCCCC1 M158042 [1,0,0,1,0,0|0,1,0]=3 385 B8R1.2 COC1CCCCO1 W196195 [1,0,0,1,0,0|1,1,0]=4 386 B8R1.2 COC1CCNCC1 M176409 [1,0,0,1,0,0|1,1,0]=4 387 B8R1.2 COC1CCNCC1 M176410 [1,0,0,1,0,0|1,1,0]=4 388 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.60 C1CC(C1)(CO)CO C170374 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.60 CCC1(COC1)CO E102414 [1,0,0,1,0,0|2,0,0]=4 391 B10R1.4 CCCC1CCCCC1=O P160132 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.15 C1CCC(CC1)C(CO)N S590298 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.15 CCC(C1CCCCC1)N S489475 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.20 C1CCC(C(C1)CO)CO I133239 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.20 C1CCC(C(C1)CO)CO R160969 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.20 C1CCC(C(C1)CO)CO S588709 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.20 C1CCC(C(C1)CO)CO T162621 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.10 CCCC1CCOC(S1)C M103004 [0,1,0,1,0,0|0,0,0]=2 399 B10R1.18 B(CC1CCCCC1)(O)O C335897 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,1,0,1,0,0|1,0,1]=4 401 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.18 CC(C)CN1CCOCC1 I157428 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.18 CC(CN1CCOCC1)O H168534 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.85 C1CCCC(CC1)CCN C170395 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.85 C1CCCN(CC1)CCO H168438 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.1 C1CC(CCC1CCN)O A151059 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.1 C1CC(CCC1CCO)N A151060 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,1,0,1,0,0|1,0,1]=4 411 B10R1.1 CCCC1CCC(CC1)O P160707 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.1 CN1CCC(CC1)CCO M175713 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.1 CN1CCN(CC1)CCO H589441 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.17 C1CCC(CC1)CCC=O C479079 [0,1,0,1,0,0|1,0,1]=4 415 B10R1.17 C1CCC(CC1)CCCN C170358 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.17 C1CCC(CC1)CCCO C153386 [0,1,0,1,0,0|1,0,0]=3 417 B10R1.17 C1CCC(CC1)NCCO N140389 [0,1,0,1,0,0|1,0,0]=3 418 B10R1.17 C1CCN(CC1)CCCO P132596 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.17 C1CCOC(C1)OCCBr B107747 [0,1,0,1,0,0|1,1,0]=4 420 B10R1.17 C1CCOC(C1)OCCBr B124703 [0,1,0,1,0,0|1,1,0]=4 421 B10R1.17 C1CCOC(C1)OCCCl C140279 [0,1,0,1,0,0|1,1,0]=4 422 B10R1.17 C1COCCN1CCCCl C124693 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.17 C1COCCN1CCCCl C176842 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.17 C1COCCN1CCCCl C494550 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.17 C1COCCN1CCCN A105340 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.17 C1COCCN1CCCO H138846 [0,1,0,1,0,0|2,0,0]=4 427 B10R1.17 CCCCC1CCCCC1 B152699 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.17 CCCCN1CCOCC1 B153181 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.35 COC1CC(C(O1)CO)O O139055 [0,1,0,1,0,0|1,1,0]=4 430 B10R2.71 C1CC2CC(CC1N2)O E190926 [0,0,0,2,0,0|2,0,0]=4 431 B10R2.71 C1CC2CC(CC1N2)O E421612 [0,0,0,2,0,0|2,0,0]=4 432 B10R2.71 C1CC2CC(CC1N2)O N158879 [0,0,0,2,0,0|2,0,0]=4 433 B10R2.99 C1C2CC(C1C=C2)CO N159229 [0,0,0,2,0,0|1,0,1]=4 434 B10R2.99 C1CC2CC1CC2CO N135171 [0,0,0,2,0,0|1,0,0]=3 435 B10R2.109 C=CC1CCC2C(C1)O2 V102412 [0,0,0,2,0,0|1,0,1]=4 436 B10R2.408 [B]1C2CCCC1CCC2 B130058 [0,0,0,2,0,0|2,0,0]=4 437 B10R2.32 C1COC2C1C(CO2)O R191158 [0,0,0,2,0,0|1,1,0]=4 438 B10R2.484 C1CC2(C1)CCNCC2 A174040 [0,0,0,2,0,0|2,0,0]=4 439 B10R2.484 C1COCCC12CNC2 O587188 [0,0,0,2,0,0|2,0,0]=4