0 B8R0.16 COC(CC(C)=O)OC HR122907 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.16 COC(CN(C)C)OC HR126558 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.16 COC(C[N+](=O)[O-])OC HR130105 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.2 CCC(=O)CC(C)=O HR133940 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.2 CCC(C)CC(=O)O HR11273 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CCC(C)CC(=O)O HR135865 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CCC(C)CC(C)N HR121358 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CCC(C)CC(C)N HR123488 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CCC(C)NC(N)=O HR114250 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CCC(N)CC(=O)O HR114631 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.2 CCC(N)CC(=O)O HR143295 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.2 CCC(N)CC(=O)O HR147022 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 CNC(=O)CC(C)=O HR100837 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.2 COC(=O)CC(C)=O TECQ03701 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.2 COC(=O)CC(N)=O HR118636 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.2 NCC(O)CC(=O)O HR137304 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.12 C=CC[SiH](OC)OC HR132083 [1,0,0,0,0,0|0,1,1]=3 22 B7R0.12 CNCC(OC)OC HR126824 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.12 COC(CC#N)OC HR144233 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.12 COC(CCBr)OC HR118221 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.12 COC(CSC)OC HR129499 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.12 COCC(OC)OC HR140439 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.26 COC(=O)CC(OC)OC HR127460 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.41 COC(OC)C(=O)N(C)C HR116093 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.63 COP(=O)(CC(C)=O)OC HR137505 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.63 COP(=O)(NC(C)=O)SC HR135900 [0,1,0,0,0,0|2,1,0]=4 31 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.13 O=C(O)CC1CCCC1 HR140131 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.13 O=C(O)CC1CCCN1 HR139892 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.13 O=C(O)CC1CCCN1 HR145708 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.13 O=C(O)CC1CCCO1 HR15380 [0,0,0,1,0,0|2,0,0]=3 39 B7R0.15 CCC(CC)C(=O)O HR140709 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.15 CCC(CC)C(N)=O HR138630 [0,0,0,0,1,0|3,0,0]=4 41 B7R0.15 COC(OC)C(C)=O HR9977 [0,0,0,0,1,0|0,0,0]=1 42 B7R0.15 COC(OC)C(C)Cl HR100061 [0,0,0,0,1,0|1,0,1]=3 43 B7R0.15 COC(OC)N(C)C HR10940 [0,0,0,0,1,0|2,0,0]=3 44 B9R0.43 CCN(CC)CCC(C)=O HR104741 [0,0,0,0,0,1|3,0,0]=4 45 B9R0.43 COC(CC[N+](=O)[O-])OC HR113985 [0,0,0,0,0,1|2,0,0]=3 46 B9R0.43 COC(CN=C(N)N)OC HR106987 [0,0,0,0,0,1|2,0,0]=3 47 B9R0.43 COC(CNC(=N)N)OC HR117463 [0,0,0,0,0,1|2,0,0]=3 48 B6R0.1 COC(C)CCO HR100431 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.1 COCC(C)OC HR127461 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CSC(C)CC=O HR133413 [2,0,0,0,0,0|0,1,0]=3 51 B6R0.2 CC(=O)CC(C)=O AVJB01201 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.2 CC(=O)CC(C)=O CUSA07105 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.2 CC(=O)CC(C)=O HR108604 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.2 CC(=O)NC(C)C ABSA04901 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.2 CC(=O)OC(C)Br HR115050 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.2 CC(C)CC(=O)O HR123359 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.2 CC(C)CC(C)N HR121969 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.2 CC(C)CC(N)=O HR109732 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.2 CC(N)CC(=O)O HR103780 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.2 CC(N)CC(=O)O HR116211 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(N)CC(=O)O HR120488 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(N)CC(=O)O HR124863 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(O)CC(=O)[O-] HR147106 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.2 CN(C)CC(=O)O HR127289 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.2 CN(C)CC(=O)[O-] HR134057 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CC(=O)CCCBr HR147487 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CC(=O)CCCCl HR100024 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CC(=O)CCCO HR136959 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CCCCC(=O)Cl HR147689 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CCCCC(=O)[O-] HR143929 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 CCCCC(N)=O HR110039 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 CCCSC(C)=O HR137881 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 CNCCC(=O)O HR100194 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 COCCC(C)O HR129774 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.4 CO\C=C\C(C)=O HR138997 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.4 CSCCC(C)=O HR133952 [2,0,0,0,0,0|0,1,0]=3 78 B6R0.9 C=CC(OC)OC HR128249 [2,0,0,0,0,0|0,0,1]=3 79 B6R0.9 CCB(CC)OC HR134323 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.9 CCC(CC)NC HR112023 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.9 COC(C=O)OC IVSA07710 [2,0,0,0,0,0|0,0,0]=2 82 B6R0.9 COC(CBr)OC HR100606 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.9 COC(CN)OC CAJB01106 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.9 COC(OC)OC HR147739 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.9 CO[SiH](OC)OC HR135823 [2,0,0,0,0,0|1,1,0]=4 86 B8R0.2 CCC(C)C(Cl)C(=O)O HR103573 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.2 CCC(C)C(N)C(=O)O HR122107 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.2 CCC(C)C(N)C(=O)O HR126392 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.2 CCC(C)C(N)C(=O)O HR126596 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.2 CCC(C)C(N)C(=O)O HR129264 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.2 CCC(C)C(N)C(=O)O HR134488 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.2 CCC(C)C(N)C(N)=O HR114403 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.2 COC(=O)C(Cl)C(C)=O HR139855 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.2 COC(=O)C(N)C(C)=O HR121027 [1,1,0,0,0,0|0,0,2]=4 95 B8R0.2 COC(C)C(N)C(=O)O HR109877 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.2 COC(C)C(N)C(=O)O HR143103 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.5 CCOC(=O)CC(C)=O HR134952 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.5 CCOC(C)OC(C)=O HR121743 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.5 COCC(=O)CC(C)=O HR134533 [1,1,0,0,0,0|0,0,2]=4 101 B8R0.5 COCC(C)OC(C)=O HR138591 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.19 CCC(=O)CC(=O)OC HR126248 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.19 CCC(O)CC(=O)OC HR111480 [1,1,0,0,0,0|1,0,0]=3 104 B8R0.19 COC(=O)CC(=O)CCl HR131628 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.19 COC(=O)CC(=O)OC HR129679 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.19 COC(=O)CC(O)CCl HR103451 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.19 COC(=O)CC(O)CCl HR106667 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.19 COC(=O)CC(O)CCl HR123616 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.23 CC(=O)OC(C)C(C)=O HR135424 [1,1,0,0,0,0|2,0,0]=4 110 B8R0.34 CSC(C)(C)CC(C)=O HR124751 [1,1,0,0,0,0|0,1,0]=3 111 B8R0.11 CCC[SiH2]C(OC)OC HR106892 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.11 COC(CCC#N)OC HR104203 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.11 COC(CCCCl)OC HR123269 [1,1,0,0,0,0|0,0,1]=3 114 B8R0.11 COC(CCCN)OC HR140763 [1,1,0,0,0,0|0,0,1]=3 115 B8R0.20 COC(=O)C(OC)OC HR134919 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.22 CCCC(CC=O)SC HR125808 [1,1,0,0,0,0|1,1,0]=4 117 B8R0.36 COC(C)(OC)C(C)=O HR147320 [0,1,0,0,1,0|0,0,0]=2 118 B8R0.36 COC(C)(OC)N(C)C TAJB01907 [0,1,0,0,1,0|2,0,0]=4 119 B10R0.79 CCOC(CC(C)=O)OCC HR103306 [0,2,0,0,0,0|0,0,0]=2 120 B10R0.79 CCOC(CN(C)C)OCC HR126296 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.79 CCOC(C[N+](=O)[O-])OCC HR130365 [0,2,0,0,0,0|2,0,0]=4 122 B10R0.79 CCOC(OCC)OC(C)=O HR131733 [0,2,0,0,0,0|1,0,0]=3 123 B10R0.134 COC(=O)CP(=O)(OC)OC PRSA02202 [0,2,0,0,0,0|1,0,0]=3 124 B10R0.145 CCN(CC)CC(OC)OC HR139930 [0,2,0,0,0,0|2,0,0]=4 125 B10R0.145 COC(CC(OC)OC)OC HR137878 [0,2,0,0,0,0|0,0,2]=4 126 B8R1.1 CCC1CCC(=O)O1 HR137195 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.1 CCN1CCC(=O)C1 HR113880 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 CC1CC(=O)CCN1 HR120677 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.4 CC1CC(=O)CCN1 HR140081 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.4 CC1CC(O)CCO1 HR120725 [1,0,0,1,0,0|0,0,2]=4 131 B8R1.4 CC1CC(O)CCO1 HR121039 [1,0,0,1,0,0|0,0,2]=4 132 B8R1.4 CC1CCCC(=O)C1 HR143817 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.4 CN1CCCC(=O)C1 HR120165 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.4 O=C1CC(O)CCN1 HR110819 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.34 O=C(O)CC1CCC1 HR133624 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.2 CCC1CNCCO1 HR145969 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.2 CCC1CNCCO1 HR145970 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.2 NOC1CCCCO1 HR123792 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.8 BrCCC1OCCO1 HR123687 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.8 ClCCC1OCCO1 HR142758 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,0,0,1,1,0|2,0,0]=4 142 B8R1.7 CN(C)C1OCCO1 HR138772 [0,0,0,1,1,0|2,0,0]=4 143 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,0,0,1,1,0|2,0,0]=4 144 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,0,0,1,1,0|2,0,0]=4 145 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,0,0,1,1,0|2,0,0]=4 146 B10R1.66 CC(=O)OCC1CCCO1 HR131629 [0,0,0,1,0,1|1,0,0]=3 147 B10R1.66 O=C(O)CCC1CCCO1 HR118102 [0,0,0,1,0,1|2,0,0]=4 148 B10R1.66 O=[N+]([O-])CCC1OCCO1 HR128316 [0,0,0,1,0,1|2,0,0]=4 149 B10R1.18 CC(=O)CC1CCCCC1 HR100572 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.18 O=C(O)CC1CCCCO1 HR106291 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.18 O=C(O)CC1COCCN1 HR112078 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.18 O=C(O)CC1COCCN1 HR145805 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.18 O=C(O)CC1COCCN1 HR145806 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.18 O=C(O)CC1COCCN1 HR148490 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.54 CC(C)CC1OCC(C)O1 HR109094 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.491 COC1(OC)CC(CI)C1 HR102967 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.491 COC1(OC)CC(CO)C1 HR108475 [0,1,0,1,0,0|0,0,2]=4 158 B10R2.62 O=C1CC2CCC1CC2 HR115155 [0,0,0,2,0,0|2,0,0]=4 159 B10R2.71 O=C1CC2CCC(C1)N2 HR120774 [0,0,0,2,0,0|2,0,0]=4 160 B10R2.71 O=C1CC2CCC(C1)N2 HR124577 [0,0,0,2,0,0|2,0,0]=4 161 B10R2.71 O=C1CC2CCC(C1)O2 HR146321 [0,0,0,2,0,0|1,0,0]=3 162 B6R0.3 CCC(C)C(=O)Cl HR144038 [1,0,0,0,1,0|2,0,0]=4 163 B6R0.3 CCC(C)C(=O)O HR124401 [1,0,0,0,1,0|2,0,0]=4 164 B6R0.3 CCC(C)C(=O)O HR124666 [1,0,0,0,1,0|2,0,0]=4 165 B6R0.3 CCC(C)C(N)=O HR115534 [1,0,0,0,1,0|2,0,0]=4 166 B6R0.3 CCC(O)C(=O)O HR145745 [1,0,0,0,1,0|2,0,0]=4 167 B6R0.3 CCC(O)C(=O)O HR8265 [1,0,0,0,1,0|2,0,0]=4 168 B6R0.3 CCC(S)C(C)=O HR124234 [1,0,0,0,1,0|1,1,0]=4 169 B6R0.3 CNC(C)C(=O)O HR126490 [1,0,0,0,1,0|2,0,0]=4 170 B6R0.3 CNC(C)C(=O)O HR131233 [1,0,0,0,1,0|2,0,0]=4 171 B6R0.3 CNC(C)C(=O)O HR138734 [1,0,0,0,1,0|2,0,0]=4 172 B6R0.3 CNC(C)C(=O)[O-] HR145674 [1,0,0,0,1,0|2,0,0]=4 173 B6R0.3 COC(=O)C(C)=O HR131015 [1,0,0,0,1,0|0,0,2]=4 174 B6R0.3 CON(C)C(C)=O HR136259 [1,0,0,0,1,0|1,0,0]=3 175 B6R0.3 CSC(C)C(C)=O HR133684 [1,0,0,0,1,0|0,1,0]=3 176 B8R0.9 C#CC(C)CNC(C)=O HR123193 [1,0,0,0,0,1|1,0,1]=4 177 B8R0.9 CC(=O)OCC(O)CO HR119576 [1,0,0,0,0,1|2,0,0]=4 178 B8R0.9 CCC(C)COC(=O)Cl HR143745 [1,0,0,0,0,1|2,0,0]=4 179 B8R0.9 CCC(C)COC(C)=O HR104042 [1,0,0,0,0,1|1,0,0]=3 180 B8R0.9 CCC(C)COC(C)=O HR112686 [1,0,0,0,0,1|1,0,0]=3 181 B8R0.9 COC(C)COC(C)=O HR143173 [1,0,0,0,0,1|0,0,0]=2