0 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)CC(N)=O HR125580 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=O)NC(=N)N HR3986 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 CC(=O)OC(C)Br HR115050 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 CC(C)=CC(=O)O HR21295 [0,0,0,0,0,0|0,0,0]=0 16 B6R0.2 CC(C)CB(O)O HR137992 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.2 CC(C)CC(=O)O HR123359 [0,0,0,0,0,0|0,0,2]=2 18 B6R0.2 CC(C)CC(N)=O HR109732 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 CC(C)OC(=S)[S-] HR128420 [0,0,0,0,0,0|1,2,1]=4 20 B6R0.2 CC(N)CC(=O)O HR103780 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.2 CC(N)CC(=O)O HR116211 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.2 CC(N)CC(=O)O HR120488 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.2 CC(N)CC(=O)O HR124863 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,0,0,0,0,0|1,0,3]=4 25 B6R0.2 CN(C)CC(=O)O HR127289 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.2 CN(C)CC(N)=S HR134511 [0,0,0,0,0,0|2,1,1]=4 28 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.2 N=C(N)CC(N)=O HR137702 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.2 N=C(N)NC(N)=O HR122408 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.2 N=C(N)NC(N)=O HR122672 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 NC(=O)CC(N)=O HR138203 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.2 NC(=O)NC(N)=O HR130501 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.2 O=C(O)CC(=O)O DACQ01002 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.2 O=C(O)CC(=O)O HR144418 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 O=C([O-])CC(=O)[O-] HR125830 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.2 O=C([O-])CC(=O)[O-] HR131351 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.2 O=C([O-])OC(=O)[O-] HR101507 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 C#CCC(=O)O HR107056 [1,0,0,0,0,0|0,0,3]=4 40 B5R0.1 C=C(C)CCO HR139358 [1,0,0,0,0,0|0,0,3]=4 41 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 C=CCC(=O)O HR124911 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.1 C=CCN(C)C HR103500 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 C=CC[SiH](C)C HR121456 [1,0,0,0,0,0|1,1,1]=4 45 B5R0.1 C=CNC(C)=O HR112565 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C=COC(C)C HR122658 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CC#CC(=O)O HR16226 [1,0,0,0,0,0|0,0,2]=3 48 B5R0.1 CC(=O)CCO HR131203 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(=O)NCO HR105862 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(=O)OC=O HR100841 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(=O)\C=N\O HR126710 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CC(C)=CC=O HR138342 [1,0,0,0,0,0|0,0,0]=1 53 B5R0.1 CC(C)=CCBr HR133883 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CC(C)=CCCl HR127820 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 CC(C)=CCN HR114772 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 CC(C)=CCO HR138609 [1,0,0,0,0,0|0,0,1]=2 57 B5R0.1 CC(C)=CCS HR143870 [1,0,0,0,0,0|0,1,1]=3 58 B5R0.1 CC(C)=C[Mg]Br HR109568 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(C)=C[SiH2]Cl HR107199 [1,0,0,0,0,0|1,1,0]=3 60 B5R0.1 CC(C)O[AlH3]=O HR145538 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CCCC(=O)Cl HR147587 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 CCCC(=O)[O-] HR129884 [1,0,0,0,0,0|0,0,3]=4 63 B5R0.1 CCCC(=O)[O-] HR137474 [1,0,0,0,0,0|0,0,3]=4 64 B5R0.1 CCCC(N)=O HR137715 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.1 CCNC(C)=O HR100775 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CCNC(N)=O HR126748 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CCOC(=O)Cl IVSA07702 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CCOC(N)=O HR123919 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CCSC(C)=O HR138399 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CN(C)CCO HR147675 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 CNCC(=O)O HR132326 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 CNCC(=O)[O-] HR133335 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 COCC(=O)Cl HR138385 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 COCC(=O)O HR137614 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.1 COCC(C)=O HR124731 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CSCC(C)=O HR104929 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 CSCC(N)=O HR105921 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 C\C(N)=C/C#N HR126883 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 C\C=C\B(O)O HR109070 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.1 N#CCC(=O)O HR146964 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 NCCC(=O)O HR120135 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 NCCC(=O)O HR136538 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 NOCC(=O)O HR107090 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 O=C(O)CCBr HR146768 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.1 O=C(O)CCI HR118002 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.1 O=C(O)CCO HR12598 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 O=C(O)CCS BACQ02107 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.1 O=C(O)\C=C\I HR145754 [1,0,0,0,0,0|1,0,0]=2 91 B7R0.2 C=CC(=O)NC(C)C HR138308 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.2 CC(=O)NC(=O)CN HR100710 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.2 CC(C)NC(=O)CBr HR117083 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 CC(C)OC(=O)CN HR105079 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 CC(C)OC(=O)CN HR117760 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 CC(C)OC(=O)CO HR105901 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.2 CCC(=O)CC(C)=O HR133940 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.2 CCC(C)CC(=O)O HR11273 [0,1,0,0,0,0|0,0,2]=3 102 B7R0.2 CCC(C)CC(=O)O HR135865 [0,1,0,0,0,0|0,0,2]=3 103 B7R0.2 CCC(C)NC(N)=O HR114250 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.2 CCC(N)CC(=O)O HR114631 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.2 CCC(N)CC(=O)O HR143295 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.2 CCC(N)CC(=O)O HR147022 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.2 CNC(=O)CC(C)=O HR100837 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.2 CNC(=O)NC(=O)[O-] HR129298 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.2 COC(=O)C=C(C)C HR125078 [0,1,0,0,0,0|0,0,0]=1 111 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.2 COC(=O)CC(C)N HR119861 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.2 COC(=O)CC(C)N HR143484 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.2 COC(=O)CC(C)O HR138815 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.2 COC(=O)CC(N)=O HR118636 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.2 COC(=O)\C=C(/C)N HR138334 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.2 CSC(=O)CC(C)C HR122226 [0,1,0,0,0,0|0,1,2]=4 118 B7R0.2 C\C(CC(C)C)=N/O HR128219 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.2 NCC(O)CC(=O)O HR137304 [0,1,0,0,0,0|1,0,2]=4 120 B7R0.9 CC(=O)CC(C)(C)S HR124484 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.9 CC(=O)N[Si](C)(C)C HR144225 [0,1,0,0,0,0|2,1,0]=4 122 B7R0.9 CC(=O)OC(C)(C)C HR147076 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.9 CC(=O)OP(=O)(O)O HR101825 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.9 CC(=O)O[Si](C)(C)C HR141690 [0,1,0,0,0,0|2,1,0]=4 125 B7R0.9 CC(C)(C)CC(=O)Cl HR124713 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.9 CC(C)(C)CC(=O)O HR132975 [0,1,0,0,0,0|0,0,2]=3 127 B7R0.9 CC(C)(C)NC(N)=O HR126222 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.9 CC(C)(C)OC(N)=O HR122401 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.9 CC(C)(N)CC(=O)O HR107222 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.9 CC(C)(N)CC(=O)O HR148652 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.9 CC(C)(O)CC(=O)O HR136960 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.9 CC(C)(O)CC(=O)[O-] HR140891 [0,1,0,0,0,0|0,0,3]=4 133 B7R0.9 C[N+](C)(C)CC(=O)O HR130542 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.9 C[N+](C)(C)CC(=O)[O-] HR130963 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.9 C[Si](C)(C)CC(=O)O HR108462 [0,1,0,0,0,0|0,1,1]=3 136 B7R0.16 C=C(C)C(=O)N(C)C HR143638 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.16 CC(=O)C(=O)C(C)C HR141113 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.16 CC(C)=C(Cl)N(C)C HR104790 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,1,0,0,0,0|0,0,1]=2 143 B7R0.16 CC(C)C(=O)C(=O)[O-] HR127707 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.16 CC(C)C(=O)C(=O)[O-] HR137721 [0,1,0,0,0,0|0,0,2]=3 145 B7R0.16 CC(C)C(Br)C(=O)Br HR136438 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,1,0,0,0,0|0,0,2]=3 147 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,1,0,0,0,0|0,0,2]=3 148 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,1,0,0,0,0|0,0,2]=3 149 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,1,0,0,0,0|0,0,2]=3 150 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,1,0,0,0,0|0,0,2]=3 151 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,1,0,0,0,0|0,0,2]=3 152 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,1,0,0,0,0|0,0,2]=3 153 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,1,0,0,0,0|0,0,2]=3 154 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,1,0,0,0,0|0,0,2]=3 155 B7R0.16 CC(C)C(N)C(N)=O HR112915 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.16 CC(C)C(N)C(N)=O HR122778 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,1,0,0,0,0|0,0,2]=3 158 B7R0.16 CC(O)C(=O)N(C)C HR100956 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,1,0,0,0,0|1,0,2]=4 165 B7R0.16 CN(C)C(=O)C(=O)O HR118982 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.16 CN(C)C(=O)C(N)=O HR128536 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.16 O=C(O)C(=O)C(=O)O HR145722 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.2 BrC1=COC(Br)=C1 HR146341 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.2 CC1=CC(=O)NN1 HR133409 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,1,0,0|0,0,0]=1 175 B7R1.2 CC1=CC(Br)=CS1 HR129329 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.2 CC1=CC(Br)=NN1 HR109901 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.2 CC1=CC(C)=NN1 HR122101 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.2 CC1=CC(C)=NO1 HR126201 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.2 CC1=CC(N)=CS1 HR107971 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.2 CC1=CC(N)=NN1 HR128329 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.2 CC1=CC(N)=NO1 HR134442 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.2 CC1=CNC(C)=C1 HR129042 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.2 CC1=COC(N)=N1 HR115657 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.2 CC1=CSC(C)=C1 HR101719 [0,0,0,1,0,0|1,1,1]=4 186 B7R1.2 CC1=CSC(N)=C1 HR103206 [0,0,0,1,0,0|1,1,1]=4 187 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.2 CC1=NNC(=O)O1 HR134101 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.2 CC1=NNC(Cl)=C1 HR121939 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 CC1=NOC(N)=C1 HR125110 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.2 CC1=NOC(N)=N1 HR118723 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.2 CC1=NSC(N)=C1 HR105438 [0,0,0,1,0,0|2,1,0]=4 193 B7R1.2 CC1=NSC(N)=C1 HR105753 [0,0,0,1,0,0|2,1,0]=4 194 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 CC1CNC(=O)C1 HR146359 [0,0,0,1,0,0|1,0,2]=4 196 B7R1.2 CC1CNC(=O)C1 HR146360 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.2 CC1CNC(=O)C1 HR146369 [0,0,0,1,0,0|1,0,2]=4 198 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,1,0,0|1,0,1]=3 200 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,1,0,0|1,0,1]=3 201 B7R1.2 CN1CCC(=O)C1 HR102484 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.2 Cc1cc(=O)no1 HR137393 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.2 Cc1coc(C)n1 HR130593 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.2 NC1=CC(=O)NN1 HR148354 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.2 NC1=NNC(O)=C1 HR11239 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.2 NC1=NNC(O)=C1 HR148233 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.2 NC1COC(=O)C1 HR14757 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.2 NC1COC(=O)C1 HR14758 [0,0,0,1,0,0|1,0,2]=4 209 B7R1.2 O=C1C=C(O)CN1 HR104155 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.2 O=C1C=C(O)CO1 HR100679 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.2 O=C1CC(O)CO1 HR126625 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.2 O=C1CC(O)CO1 HR127054 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.2 O=C1CNC(=O)N1 HR128930 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.2 O=C1COC(=O)C1 HR100364 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.2 O=C1COC(=O)N1 HR103401 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.2 O=C1CSC(=O)N1 HR137564 [0,0,0,1,0,0|2,1,0]=4 220 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.20 O=C(O)CC1CC1 HR136745 [0,0,0,1,0,0|0,0,2]=3 223 B5R0.5 C=C(C)C(=O)Cl HR138689 [0,0,0,0,1,0|1,0,1]=3 224 B5R0.5 C=C(C)C(=O)[O-] HR113778 [0,0,0,0,1,0|0,0,2]=3 225 B5R0.5 C=C(C)C(=O)[O-] HR114122 [0,0,0,0,1,0|0,0,2]=3 226 B5R0.5 C=C(C)C(=O)[O-] HR121033 [0,0,0,0,1,0|0,0,2]=3 227 B5R0.5 C=C(C)C(=O)[O-] HR122305 [0,0,0,0,1,0|0,0,2]=3 228 B5R0.5 C=C(C)C(=O)[O-] HR125115 [0,0,0,0,1,0|0,0,2]=3 229 B5R0.5 C=C(C)C(=O)[O-] HR135365 [0,0,0,0,1,0|0,0,2]=3 230 B5R0.5 C=C(C)C(N)=O HR124465 [0,0,0,0,1,0|1,0,1]=3 231 B5R0.5 C=C(Cl)C(=O)O HR132918 [0,0,0,0,1,0|1,0,1]=3 232 B5R0.5 C=C(Cl)C(=O)[O-] HR118858 [0,0,0,0,1,0|1,0,2]=4 233 B5R0.5 C=C(N)C(=O)O HR106545 [0,0,0,0,1,0|1,0,1]=3 234 B5R0.5 CC(=O)C(=O)O HR137803 [0,0,0,0,1,0|1,0,0]=2 235 B5R0.5 CC(=O)C(=O)[O-] HR112958 [0,0,0,0,1,0|1,0,1]=3 236 B5R0.5 CC(=O)C(=O)[O-] HR125137 [0,0,0,0,1,0|1,0,1]=3 237 B5R0.5 CC(=O)C(=O)[O-] HR130480 [0,0,0,0,1,0|1,0,1]=3 238 B5R0.5 CC(=O)C(=O)[O-] HR132795 [0,0,0,0,1,0|1,0,1]=3 239 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,0,0,1,0|2,0,0]=3 240 B5R0.5 CC(=O)C(C)Br HR130439 [0,0,0,0,1,0|2,0,1]=4 241 B5R0.5 CC(=O)C(C)C HR147367 [0,0,0,0,1,0|1,0,1]=3 242 B5R0.5 CC(=O)C(C)Cl HR132014 [0,0,0,0,1,0|2,0,1]=4 243 B5R0.5 CC(=O)C(C)S HR123296 [0,0,0,0,1,0|2,0,1]=4 244 B5R0.5 CC(=O)N(C)C HR128416 [0,0,0,0,1,0|2,0,0]=3 245 B5R0.5 CC(Br)C(=O)Cl HR136180 [0,0,0,0,1,0|2,0,1]=4 246 B5R0.5 CC(Br)C(=O)O HR118834 [0,0,0,0,1,0|1,0,1]=3 247 B5R0.5 CC(Br)C(=O)O HR119145 [0,0,0,0,1,0|1,0,1]=3 248 B5R0.5 CC(C)B(O)O HR125100 [0,0,0,0,1,0|1,0,2]=4 249 B5R0.5 CC(C)C(=N)N HR121738 [0,0,0,0,1,0|2,0,1]=4 250 B5R0.5 CC(C)C(=O)Cl DAJL01406 [0,0,0,0,1,0|1,0,1]=3 251 B5R0.5 CC(C)C(N)=O HR130010 [0,0,0,0,1,0|1,0,1]=3 252 B5R0.5 CC(C)C(N)=S HR103461 [0,0,0,0,1,0|1,1,1]=4 253 B5R0.5 CC(Cl)C(=O)Cl HR127551 [0,0,0,0,1,0|2,0,1]=4 254 B5R0.5 CC(Cl)C(=O)O HR133703 [0,0,0,0,1,0|1,0,1]=3 255 B5R0.5 CC(Cl)C(=O)O HR5746 [0,0,0,0,1,0|1,0,1]=3 256 B5R0.5 CC(F)C(=O)O HR125319 [0,0,0,0,1,0|1,0,1]=3 257 B5R0.5 CC(N)C(=O)O HR127064 [0,0,0,0,1,0|1,0,1]=3 258 B5R0.5 CC(N)C(=O)O HR128842 [0,0,0,0,1,0|1,0,1]=3 259 B5R0.5 CC(N)C(=O)O HR135609 [0,0,0,0,1,0|1,0,1]=3 260 B5R0.5 CC(N)C(=O)O HR143449 [0,0,0,0,1,0|1,0,1]=3 261 B5R0.5 CC(N)C(N)=O HR121426 [0,0,0,0,1,0|2,0,1]=4 262 B5R0.5 CC(N)C(N)=O RAXM01501 [0,0,0,0,1,0|2,0,1]=4 263 B5R0.5 CC(N)[13C](=O)O HR144974 [0,0,0,0,1,0|1,0,1]=3 264 B5R0.5 CC(O)C(=O)O HR122637 [0,0,0,0,1,0|1,0,1]=3 265 B5R0.5 CC(O)C(=O)O HR124397 [0,0,0,0,1,0|1,0,1]=3 266 B5R0.5 CC(O)C(=O)O HR137557 [0,0,0,0,1,0|1,0,1]=3 267 B5R0.5 CC(O)C(=O)[O-] HR101208 [0,0,0,0,1,0|1,0,2]=4 268 B5R0.5 CC(O)C(=O)[O-] HR124337 [0,0,0,0,1,0|1,0,2]=4 269 B5R0.5 CC(O)C(=O)[O-] HR125547 [0,0,0,0,1,0|1,0,2]=4 270 B5R0.5 CC(O)C(=O)[O-] HR126089 [0,0,0,0,1,0|1,0,2]=4 271 B5R0.5 CC(O)C(=O)[O-] HR127008 [0,0,0,0,1,0|1,0,2]=4 272 B5R0.5 CC(O)C(=O)[O-] HR127541 [0,0,0,0,1,0|1,0,2]=4 273 B5R0.5 CC(O)C(=O)[O-] HR127693 [0,0,0,0,1,0|1,0,2]=4 274 B5R0.5 CC(O)C(=O)[O-] HR132263 [0,0,0,0,1,0|1,0,2]=4 275 B5R0.5 CC(O)C(N)=O HR103895 [0,0,0,0,1,0|2,0,1]=4 276 B5R0.5 CC(O)C(N)=O HR125386 [0,0,0,0,1,0|2,0,1]=4 277 B5R0.5 CN(C)C(=N)N HR119808 [0,0,0,0,1,0|3,0,0]=4 278 B5R0.5 CN(C)C(=N)N HR141686 [0,0,0,0,1,0|3,0,0]=4 279 B5R0.5 CN(C)C(=S)Cl HR134613 [0,0,0,0,1,0|2,1,0]=4 280 B5R0.5 CN(C)C(=S)[S-] HR128944 [0,0,0,0,1,0|1,2,0]=4 281 B5R0.5 CN(C)C(=S)[S-] HR135353 [0,0,0,0,1,0|1,2,0]=4 282 B5R0.5 CN(C)C(N)=O HR126485 [0,0,0,0,1,0|2,0,0]=3 283 B5R0.5 C[13CH](N)C(=O)O HR143521 [0,0,0,0,1,0|1,0,1]=3 284 B5R0.5 NC(=O)C(N)=O HR106809 [0,0,0,0,1,0|3,0,0]=4 285 B5R0.5 O=C(Cl)C(=O)Cl TIJL03003 [0,0,0,0,1,0|3,0,0]=4 286 B5R0.5 O=C(O)C(=O)O HR123261 [0,0,0,0,1,0|2,0,0]=3 287 B5R0.5 O=C(O)C(F)F HR125822 [0,0,0,0,1,0|2,0,1]=4 288 B5R0.5 O=C([O-])C(=O)O HR136858 [0,0,0,0,1,0|2,0,0]=3 289 B5R0.5 O=C([O-])C(=O)[O-] HR100686 [0,0,0,0,1,0|2,0,1]=4 290 B5R0.5 O=C([O-])C(=O)[O-] HR100962 [0,0,0,0,1,0|2,0,1]=4 291 B5R0.5 O=C([O-])C(=O)[O-] HR101005 [0,0,0,0,1,0|2,0,1]=4 292 B5R0.5 O=C([O-])C(=O)[O-] HR102573 [0,0,0,0,1,0|2,0,1]=4 293 B5R0.5 O=C([O-])C(=O)[O-] HR110849 [0,0,0,0,1,0|2,0,1]=4 294 B5R0.5 O=C([O-])C(=O)[O-] HR128357 [0,0,0,0,1,0|2,0,1]=4 295 B5R0.5 O=C([O-])C(=O)[O-] HR129686 [0,0,0,0,1,0|2,0,1]=4 296 B5R0.5 O=C([O-])C(=O)[O-] HR129949 [0,0,0,0,1,0|2,0,1]=4 297 B5R0.5 O=C([O-])C(=O)[O-] HR132963 [0,0,0,0,1,0|2,0,1]=4 298 B5R0.5 O=C([O-])C(=O)[O-] HR134379 [0,0,0,0,1,0|2,0,1]=4 299 B5R0.5 O=C([O-])C(=O)[O-] HR136084 [0,0,0,0,1,0|2,0,1]=4 300 B5R0.5 O=C([O-])C(=O)[O-] HR136170 [0,0,0,0,1,0|2,0,1]=4 301 B5R0.5 O=C([O-])C(=O)[O-] HR136344 [0,0,0,0,1,0|2,0,1]=4 302 B5R0.5 O=C([O-])C(=O)[O-] HR136431 [0,0,0,0,1,0|2,0,1]=4 303 B5R0.5 O=C([O-])C(=O)[O-] HR136606 [0,0,0,0,1,0|2,0,1]=4 304 B5R0.5 O=C([O-])C(=O)[O-] HR136689 [0,0,0,0,1,0|2,0,1]=4 305 B5R0.5 O=C([O-])C(=O)[O-] HR136946 [0,0,0,0,1,0|2,0,1]=4 306 B5R0.5 O=C([O-])C(=O)[O-] HR138096 [0,0,0,0,1,0|2,0,1]=4 307 B5R0.5 O=C([O-])C(=O)[O-] HR138340 [0,0,0,0,1,0|2,0,1]=4 308 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [0,0,0,0,1,0|1,0,1]=3 309 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [0,0,0,0,1,0|1,0,1]=3 310 B7R0.6 C=C(C)COC(C)=O HR110682 [0,0,0,0,0,1|1,0,2]=4 311 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,0,0,0,0,1|1,0,1]=3 312 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [0,0,0,0,0,1|1,0,2]=4 313 B7R0.6 CC(=O)CCC(C)=O HR125376 [0,0,0,0,0,1|2,0,1]=4 314 B7R0.6 CC(=O)CNC(C)=O HR146276 [0,0,0,0,0,1|2,0,1]=4 315 B7R0.6 CC(=O)COC(C)=O HR123551 [0,0,0,0,0,1|2,0,1]=4 316 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,0,0,0,0,1|1,0,1]=3 317 B7R0.6 CC(=O)NNC(C)=O HR131799 [0,0,0,0,0,1|3,0,0]=4 318 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [0,0,0,0,0,1|2,0,1]=4 319 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,0,0,0,0,1|1,0,1]=3 320 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [0,0,0,0,0,1|1,0,1]=3 321 B7R0.6 CC(C)=CC=C(C)C HR147224 [0,0,0,0,0,1|2,0,0]=3 322 B7R0.6 CC(C)=CC=C(Cl)Cl HR111834 [0,0,0,0,0,1|2,0,0]=3 323 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,0,0,0,0,1|0,0,0]=1 324 B7R0.6 CC(C)=NNC(N)=O AZXF00311 [0,0,0,0,0,1|2,0,0]=3 325 B7R0.6 CC(C)=NNC(N)=S HR134406 [0,0,0,0,0,1|2,1,0]=4 326 B7R0.6 CC(C)CCC(=O)Cl HR101969 [0,0,0,0,0,1|1,0,2]=4 327 B7R0.6 CC(C)CCC(=O)O HR141883 [0,0,0,0,0,1|0,0,2]=3 328 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [0,0,0,0,0,1|0,0,2]=3 329 B7R0.6 CN(C)CCC(=O)O HR114553 [0,0,0,0,0,1|1,0,1]=3 330 B7R0.6 CN(C)CCC(=O)O HR147791 [0,0,0,0,0,1|1,0,1]=3 331 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,0,0,0,0,1|1,0,1]=3 332 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [0,0,0,0,0,1|1,0,2]=4 333 B7R0.6 N=C(N)NCC(=O)O HR123411 [0,0,0,0,0,1|2,0,1]=4 334 B7R0.6 N=C(N)SCC(=O)O HR122670 [0,0,0,0,0,1|2,0,1]=4 335 B7R0.6 N=C(N)SCC(=O)O HR134877 [0,0,0,0,0,1|2,0,1]=4 336 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [0,0,0,0,0,1|2,0,0]=3 337 B7R0.6 NC(=O)\C=C\C(N)=O HR101772 [0,0,0,0,0,1|3,0,0]=4 338 B7R0.6 O=C(O)C#CC(=O)O HR129033 [0,0,0,0,0,1|2,0,1]=4 339 B7R0.6 O=C(O)CCC(=O)O HR128111 [0,0,0,0,0,1|2,0,1]=4 340 B7R0.6 O=C(O)CCC(=O)O HR135208 [0,0,0,0,0,1|2,0,1]=4 341 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [0,0,0,0,0,1|2,0,0]=3 342 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [0,0,0,0,0,1|2,0,0]=3 343 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [0,0,0,0,0,1|2,0,0]=3 344 B7R0.6 O=C([O-])C#CC(=O)O HR129812 [0,0,0,0,0,1|2,0,1]=4 345 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [0,0,0,0,0,1|2,0,0]=3 346 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [0,0,0,0,0,1|2,0,0]=3 347 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [0,0,0,0,0,1|2,0,0]=3 348 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR100090 [0,0,0,0,0,1|2,0,1]=4 349 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR101400 [0,0,0,0,0,1|2,0,1]=4 350 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR108567 [0,0,0,0,0,1|2,0,1]=4 351 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR141890 [0,0,0,0,0,1|2,0,1]=4 352 B4R0.1 C=CC(=O)Cl HR138421 [2,0,0,0,0,0|1,0,0]=3 353 B4R0.1 C=CC(=O)O HR147507 [2,0,0,0,0,0|0,0,0]=2 354 B4R0.1 C=CC(=O)[O-] HR107941 [2,0,0,0,0,0|0,0,1]=3 355 B4R0.1 C=CC(=O)[O-] HR108077 [2,0,0,0,0,0|0,0,1]=3 356 B4R0.1 C=CC(=O)[O-] HR108254 [2,0,0,0,0,0|0,0,1]=3 357 B4R0.1 C=CC(=O)[O-] HR114407 [2,0,0,0,0,0|0,0,1]=3 358 B4R0.1 C=CC(=O)[O-] HR128661 [2,0,0,0,0,0|0,0,1]=3 359 B4R0.1 C=CC(=O)[O-] HR138209 [2,0,0,0,0,0|0,0,1]=3 360 B4R0.1 C=CC(C)=O NASA01402 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.1 C=CC(C)N HR115106 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.1 C=CC(C)N HR115412 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.1 C=CC(C)O HR107775 [2,0,0,0,0,0|1,0,1]=4 364 B4R0.1 C=CC(N)=O HR124129 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.1 C=CC(N)=O HR132105 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.1 C=CC(N)=O HR147511 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.1 C=C[N+](=O)[O-] HR118582 [2,0,0,0,0,0|1,0,1]=4 368 B4R0.1 CC(=O)C=O HR138052 [2,0,0,0,0,0|1,0,0]=3 369 B4R0.1 CC(=O)CO HR130889 [2,0,0,0,0,0|1,0,1]=4 370 B4R0.1 CC(=O)NO HR132350 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.1 CC(=O)OO HR147573 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.1 CC(C)=C=O HR100570 [2,0,0,0,0,0|0,0,1]=3 373 B4R0.1 CC(C)=NO HR135300 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.1 CC(C)NO HR127909 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.1 CC(C)NO HR128179 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.1 CC=C(Cl)Cl HR101176 [2,0,0,0,0,0|2,0,0]=4 377 B4R0.1 CCC(=O)[O-] HR100550 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.1 CCC(=O)[O-] HR104439 [2,0,0,0,0,0|0,0,2]=4 379 B4R0.1 CCC(=O)[O-] HR133146 [2,0,0,0,0,0|0,0,2]=4 380 B4R0.1 CCC(=O)[O-] HR133686 [2,0,0,0,0,0|0,0,2]=4 381 B4R0.1 CCC(=O)[O-] HR140520 [2,0,0,0,0,0|0,0,2]=4 382 B4R0.1 CCC(=O)[O-] HR145618 [2,0,0,0,0,0|0,0,2]=4 383 B4R0.1 CCC(N)=O HR135085 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.1 CN(C)C=O HR147510 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.1 CN(C)C=S HR147835 [2,0,0,0,0,0|1,1,0]=4 386 B4R0.1 CNC(=O)Cl HR124675 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.1 CNC(C)=O HR133410 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.1 CNC(N)=O HR130491 [2,0,0,0,0,0|2,0,0]=4 389 B4R0.1 COC(=O)Cl ANSA06440 [2,0,0,0,0,0|2,0,0]=4 390 B4R0.1 COC(N)=O HR124182 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.1 CSC(C)=O HR129778 [2,0,0,0,0,0|2,0,0]=4 392 B4R0.1 C[N+](C)=CCl HR128587 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.1 NCC(=O)O HR123103 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.1 NCC(=O)O HR134482 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.1 O=C(O)CBr HR147062 [2,0,0,0,0,0|1,0,1]=4 396 B4R0.1 O=C(O)CCl HR147508 [2,0,0,0,0,0|1,0,1]=4 397 B4R0.1 O=C(O)CO HR128939 [2,0,0,0,0,0|1,0,1]=4 398 B4R0.1 O=C(O)CS HR128237 [2,0,0,0,0,0|1,0,1]=4 399 B4R0.1 O=CC(=O)O APSA07202 [2,0,0,0,0,0|1,0,0]=3 400 B4R0.1 O=CC(=O)O HR136448 [2,0,0,0,0,0|1,0,0]=3 401 B4R0.1 O=CC(=O)O HR136846 [2,0,0,0,0,0|1,0,0]=3 402 B4R0.2 CCNC=O HR104364 [2,0,0,0,0,0|1,0,1]=4 403 B4R0.2 CC\C=C\Br HR114361 [2,0,0,0,0,0|1,0,1]=4 404 B4R0.2 CSCC=O HR129243 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.2 C\C=C\C#N HR148236 [2,0,0,0,0,0|1,0,1]=4 406 B4R0.2 C\C=C\CC HR121335 [2,0,0,0,0,0|1,0,1]=4 407 B4R0.2 C\C=C\CC HR121956 [2,0,0,0,0,0|1,0,1]=4 408 B4R0.2 C\C=C\CCl HR130392 [2,0,0,0,0,0|1,0,1]=4 409 B4R0.2 C\C=C\CN HR109640 [2,0,0,0,0,0|1,0,1]=4 410 B4R0.2 C\C=C\OC HR102446 [2,0,0,0,0,0|2,0,0]=4 411 B6R0.1 C#C\C(C)=C/CO HR102743 [1,1,0,0,0,0|0,0,2]=4 412 B6R0.1 C#C\C(C)=C/CO HR110020 [1,1,0,0,0,0|0,0,2]=4 413 B6R0.1 CC#CC(=O)OC HR141249 [1,1,0,0,0,0|0,0,2]=4 414 B6R0.1 CCOC(=O)CO HR127384 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.1 CCOC(=O)OC HR138173 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.1 CNCC(=O)OC HR130436 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.1 COC(=O)\C=C\N HR109927 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.1 COCC(=O)OC HR147666 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.1 CSC(C)CC=O HR133413 [1,1,0,0,0,0|0,0,2]=4 420 B6R0.1 C\C=C\C(=O)CC HR108073 [1,1,0,0,0,0|1,0,0]=3 421 B6R0.3 C=C(CC)C(=O)O HR118672 [1,1,0,0,0,0|0,0,1]=3 422 B6R0.3 C=CC(=O)N(C)C HR129014 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.3 C=CC(N)C(=O)O HR139947 [1,1,0,0,0,0|0,0,2]=4 424 B6R0.3 C=CC(N)C(=O)O HR146204 [1,1,0,0,0,0|0,0,2]=4 425 B6R0.3 CC(=O)\C(C)=N\O HR130047 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.3 CCC(=O)C(=O)O HR128819 [1,1,0,0,0,0|0,0,1]=3 427 B6R0.3 CCC(=O)C(C)=O HR131826 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.3 CCC(Br)C(=O)O HR123595 [1,1,0,0,0,0|0,0,2]=4 429 B6R0.3 CCC(C)C(=O)O HR124401 [1,1,0,0,0,0|0,0,2]=4 430 B6R0.3 CCC(C)C(=O)O HR124666 [1,1,0,0,0,0|0,0,2]=4 431 B6R0.3 CCC(Cl)C(=O)O HR104193 [1,1,0,0,0,0|0,0,2]=4 432 B6R0.3 CCC(Cl)C(=O)O HR104505 [1,1,0,0,0,0|0,0,2]=4 433 B6R0.3 CCC(N)C(=O)O HR100731 [1,1,0,0,0,0|0,0,2]=4 434 B6R0.3 CCC(N)C(=O)O HR128531 [1,1,0,0,0,0|0,0,2]=4 435 B6R0.3 CCC(N)C(=O)O HR128797 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.3 CCC(N)C(=O)O HR130831 [1,1,0,0,0,0|0,0,2]=4 437 B6R0.3 CCC(N)C(=O)O VOJL00901 [1,1,0,0,0,0|0,0,2]=4 438 B6R0.3 CCC(O)C(=O)O HR145745 [1,1,0,0,0,0|0,0,2]=4 439 B6R0.3 CCC(O)C(=O)O HR8265 [1,1,0,0,0,0|0,0,2]=4 440 B6R0.3 CNC(C)C(=O)O HR126490 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.3 CNC(C)C(=O)O HR131233 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.3 CNC(C)C(=O)O HR138734 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.3 COC(=O)C(=O)Cl FOXF01206 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.3 COC(=O)C(C)=O HR131015 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.3 COC(=O)C(N)=O HR115965 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.3 C\C=C(/C)C(=O)Cl HR120157 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.3 C\C=C(/C)C(=O)O HR127692 [1,1,0,0,0,0|0,0,0]=2 448 B6R0.3 C\C=C(/C)C(=O)O HR140908 [1,1,0,0,0,0|0,0,0]=2 449 B6R0.3 C\C=C(\C)B(O)O HR33800 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.3 O=C(O)C(=O)CBr HR129820 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.4 C=CCCC(=O)O HR128583 [1,1,0,0,0,0|0,0,2]=4 452 B6R0.4 CC(C)=NNC=O HR117540 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.4 CC(C)CCC=O HR118427 [1,1,0,0,0,0|0,0,2]=4 454 B6R0.4 CCNCC(=O)O HR105131 [1,1,0,0,0,0|0,0,2]=4 455 B6R0.4 CCOCC(=O)O HR123178 [1,1,0,0,0,0|0,0,2]=4 456 B6R0.4 CC\C=C\B(O)O HR116587 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.4 CN(C)\C=C\C=O HR126291 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.4 CNCCC(=O)O HR100194 [1,1,0,0,0,0|0,0,2]=4 459 B6R0.4 CO\C=C\C(C)=O HR138997 [1,1,0,0,0,0|1,0,0]=3 460 B6R0.4 NCCCC(=O)O HR130958 [1,1,0,0,0,0|0,0,2]=4 461 B6R0.4 O=C(O)C#CCO HR112666 [1,1,0,0,0,0|0,0,2]=4 462 B6R0.4 O=C(O)CCCBr HR131673 [1,1,0,0,0,0|0,0,2]=4 463 B6R0.4 O=C(O)CCCCl HR120152 [1,1,0,0,0,0|0,0,2]=4 464 B6R0.4 O=CCCC(=O)O HR134907 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.5 CC(C)(C)CC=O HR3076 [1,1,0,0,0,0|0,0,2]=4 466 B6R0.5 C[N+](C)(C)CC=O HR100953 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.7 CC(=O)C(C)(C)C HR147694 [0,1,0,0,1,0|1,0,1]=4 468 B6R0.7 CC(=O)C(C)(C)O HR125473 [0,1,0,0,1,0|1,0,1]=4 469 B6R0.7 CC(=O)[Si](C)(C)C HR104737 [0,1,0,0,1,0|1,1,0]=4 470 B6R0.7 CC(C)(Br)C(=O)Br HR133497 [0,1,0,0,1,0|1,0,1]=4 471 B6R0.7 CC(C)(Br)C(=O)O HR133224 [0,1,0,0,1,0|0,0,1]=3 472 B6R0.7 CC(C)(C)C(=O)Cl HR147696 [0,1,0,0,1,0|1,0,1]=4 473 B6R0.7 CC(C)(C)C(=O)O HR129720 [0,1,0,0,1,0|0,0,1]=3 474 B6R0.7 CC(C)(C)C(=O)S HR142293 [0,1,0,0,1,0|0,1,1]=4 475 B6R0.7 CC(C)(C)C(=O)[O-] HR116684 [0,1,0,0,1,0|0,0,2]=4 476 B6R0.7 CC(C)(C)C(=O)[O-] HR118949 [0,1,0,0,1,0|0,0,2]=4 477 B6R0.7 CC(C)(C)C(N)=O SEXF01404 [0,1,0,0,1,0|1,0,1]=4 478 B6R0.7 CC(C)(N)C(=O)O HR126357 [0,1,0,0,1,0|0,0,1]=3 479 B6R0.7 CC(C)(O)C(=O)O HR138865 [0,1,0,0,1,0|0,0,1]=3 480 B6R0.7 CC(C)(S)C(=O)O HR123342 [0,1,0,0,1,0|0,0,1]=3 481 B6R0.7 CC(Cl)(Cl)C(=O)O HR134854 [0,1,0,0,1,0|1,0,1]=4 482 B6R0.7 CC(F)(F)C(=O)O HR137545 [0,1,0,0,1,0|1,0,1]=4 483 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [0,1,0,0,0,1|1,0,0]=3 484 B8R0.9 COC(=O)\C=C\C(=O)[O-] HR129866 [0,1,0,0,0,1|1,0,1]=4 485 B8R0.9 COC(=O)\C=C\C(=O)[O-] MOJB014 [0,1,0,0,0,1|1,0,1]=4 486 B8R0.9 COC(=O)\C=C\N(C)C HR127150 [0,1,0,0,0,1|1,0,0]=3 487 B8R0.9 NCC(=O)CCC(=O)O HR115792 [0,1,0,0,0,1|1,0,1]=4 488 B8R0.9 NCC(=O)CCC(=O)O HR124289 [0,1,0,0,0,1|1,0,1]=4 489 B8R0.9 NCC(=O)NCC(=O)O HR100015 [0,1,0,0,0,1|1,0,1]=4 490 B8R0.9 NNC(=O)\C=C\C(=O)O HR123077 [0,1,0,0,0,1|2,0,0]=4 491 B8R0.23 C=C(CC(=O)O)C(=O)O HR123624 [0,1,0,0,0,1|2,0,0]=4 492 B8R0.23 C=C(CC(C)C)C(C)=O HR119288 [0,1,0,0,0,1|1,0,1]=4 493 B8R0.23 CC(=O)CC(=O)N(C)C HR110905 [0,1,0,0,0,1|2,0,0]=4 494 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,1,0,0,0,1|1,0,1]=4 495 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,1,0,0,0,1|1,0,1]=4 496 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,1,0,0,0,1|1,0,1]=4 497 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,1,0,0,0,1|1,0,1]=4 498 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,1,0,0,0,1|1,0,1]=4 499 B8R0.23 CC(C)C(N)CC(=O)O HR115576 [0,1,0,0,0,1|0,0,2]=4 500 B8R0.23 CC(C)C(N)CC(=O)O HR119755 [0,1,0,0,0,1|0,0,2]=4 501 B8R0.23 CC(C)CC(=O)C(=O)O HR122104 [0,1,0,0,0,1|0,0,1]=3 502 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR105375 [0,1,0,0,0,1|0,0,2]=4 503 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138461 [0,1,0,0,0,1|0,0,2]=4 504 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138724 [0,1,0,0,0,1|0,0,2]=4 505 B8R0.23 CC(C)CC(Br)C(=O)O HR148644 [0,1,0,0,0,1|0,0,2]=4 506 B8R0.23 CC(C)CC(Cl)C(=O)O HR103256 [0,1,0,0,0,1|0,0,2]=4 507 B8R0.23 CC(C)CC(N)C(=O)O HR120455 [0,1,0,0,0,1|0,0,2]=4 508 B8R0.23 CC(C)CC(N)C(=O)O HR133560 [0,1,0,0,0,1|0,0,2]=4 509 B8R0.23 CC(C)CC(N)C(=O)O HR134259 [0,1,0,0,0,1|0,0,2]=4 510 B8R0.23 CC(C)CC(N)C(=O)O TYJB00201 [0,1,0,0,0,1|0,0,2]=4 511 B8R0.23 CC(C)CC(O)C(=O)O HR104232 [0,1,0,0,0,1|0,0,2]=4 512 B8R0.23 CC(C)CC(O)C(=O)O HR121662 [0,1,0,0,0,1|0,0,2]=4 513 B8R0.23 CN(C)C(=O)CC(N)=O HR120955 [0,1,0,0,0,1|2,0,0]=4 514 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122671 [0,1,0,0,0,1|2,0,0]=4 515 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122936 [0,1,0,0,0,1|2,0,0]=4 516 B8R0.23 O=C(O)CC(=O)C(=O)O HR132056 [0,1,0,0,0,1|2,0,0]=4 517 B8R0.29 CC(C)(C)NCC(=O)O HR107503 [0,1,0,0,0,1|0,0,2]=4 518 B8R0.29 CC(C)(C)NCC(=O)O HR143867 [0,1,0,0,0,1|0,0,2]=4 519 B8R0.29 CC(C)(C)OCC(=O)O HR143671 [0,1,0,0,0,1|0,0,2]=4 520 B8R0.29 C[Si](C)(C)C#CC(=O)O HR141148 [0,1,0,0,0,1|0,1,1]=4 521 B8R0.29 C[Si](C)(C)CCC(=O)O HR106616 [0,1,0,0,0,1|0,1,1]=4 522 B8R0.2 CCC(C)C(=O)C(=O)O HR136223 [0,2,0,0,0,0|0,0,1]=3 523 B8R0.2 CCC(C)C(=O)C(=O)[O-] HR105983 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.2 CCC(C)C(Cl)C(=O)O HR103573 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.2 CCC(C)C(N)C(=O)O HR122107 [0,2,0,0,0,0|0,0,2]=4 526 B8R0.2 CCC(C)C(N)C(=O)O HR126392 [0,2,0,0,0,0|0,0,2]=4 527 B8R0.2 CCC(C)C(N)C(=O)O HR126596 [0,2,0,0,0,0|0,0,2]=4 528 B8R0.2 CCC(C)C(N)C(=O)O HR129264 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.2 CCC(C)C(N)C(=O)O HR134488 [0,2,0,0,0,0|0,0,2]=4 530 B8R0.2 COC(=O)C(=O)C(C)C HR104464 [0,2,0,0,0,0|0,0,1]=3 531 B8R0.2 COC(=O)C(Br)C(C)C HR135904 [0,2,0,0,0,0|0,0,2]=4 532 B8R0.2 COC(=O)C(C)C(=O)O HR103977 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.2 COC(=O)C(Cl)C(C)=O HR139855 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.2 COC(=O)C(N)C(C)=O HR121027 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.2 COC(=O)C(N)C(C)C HR127472 [0,2,0,0,0,0|0,0,2]=4 536 B8R0.2 COC(=O)C(N)C(C)C HR129213 [0,2,0,0,0,0|0,0,2]=4 537 B8R0.2 COC(=O)C(N)C(C)C HR146735 [0,2,0,0,0,0|0,0,2]=4 538 B8R0.2 COC(=O)C(O)C(C)C HR115315 [0,2,0,0,0,0|0,0,2]=4 539 B8R0.2 COC(=O)C(O)C(C)C HR115628 [0,2,0,0,0,0|0,0,2]=4 540 B8R0.2 COC(C)C(N)C(=O)O HR109877 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.2 COC(C)C(N)C(=O)O HR143103 [0,2,0,0,0,0|0,0,2]=4 542 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O HR125559 [0,2,0,0,0,0|1,0,1]=4 543 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O HR147671 [0,2,0,0,0,0|1,0,1]=4 544 B8R0.5 CC(C)OC(=O)OCCl HR138445 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.5 CCOC(=O)C=C(C)C HR123584 [0,2,0,0,0,0|0,0,0]=2 546 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,2,0,0,0,0|1,0,1]=4 549 B8R0.5 CCOC(=O)CN(C)C HR135000 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.5 CCOC(=O)\C=C(/C)N HR137824 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.5 CCOC(=O)\C=C(\C)N HR122434 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.16 CN\C(=C\[N+](=O)[O-])SC HR138402 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.16 CO\C(C=O)=C/N(C)C HR106210 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.16 CSC(=C[N+](=O)[O-])SC HR132805 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.19 CCC(=O)CC(=O)OC HR126248 [0,2,0,0,0,0|1,0,1]=4 557 B8R0.19 CN\C(C)=C\C(=O)OC HR106272 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.19 COC(=N)NC(=O)OC HR100344 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.19 COC(=O)CC(=O)CCl HR131628 [0,2,0,0,0,0|1,0,1]=4 560 B8R0.19 COC(=O)CC(=O)OC HR129679 [0,2,0,0,0,0|1,0,1]=4 561 B8R0.19 COC(=O)NC(C)CN ENSA06712 [0,2,0,0,0,0|1,0,1]=4 562 B8R0.19 COC(=O)OC(=O)OC HR126341 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.24 CC(C)(C)OC(=O)CO HR113961 [0,2,0,0,0,0|1,0,1]=4 564 B8R0.24 CC(C)(C)OC(=O)NO HR134020 [0,2,0,0,0,0|1,0,1]=4 565 B8R0.24 COC(=O)N[Si](C)(C)C HR116405 [0,2,0,0,0,0|1,1,0]=4 566 B8R0.27 CC(C)(C)C(=O)C(=O)O HR138192 [0,2,0,0,0,0|0,0,1]=3 567 B8R0.27 CC(C)(C)C(N)C(=O)O HR122176 [0,2,0,0,0,0|0,0,2]=4 568 B8R0.27 CC(C)(C)C(N)C(=O)O HR122428 [0,2,0,0,0,0|0,0,2]=4 569 B8R0.27 CC(C)(C)C(N)C(=O)O HR128603 [0,2,0,0,0,0|0,0,2]=4 570 B8R0.27 CC(C)(C)C(N)C(=O)O HR142898 [0,2,0,0,0,0|0,0,2]=4 571 B8R0.27 CC(C)(F)C(N)C(=O)O HR145132 [0,2,0,0,0,0|0,0,2]=4 572 B8R0.27 CC(C)(O)C(N)C(=O)O HR118044 [0,2,0,0,0,0|0,0,2]=4 573 B8R0.27 CC(C)(S)C(N)C(=O)O HR128482 [0,2,0,0,0,0|0,0,2]=4 574 B8R0.18 CC(C)C(CN)C(=O)O HR100533 [0,2,0,0,0,0|0,0,2]=4 575 B8R0.18 CNC(C(=O)O)C(C)C HR116560 [0,2,0,0,0,0|0,0,2]=4 576 B8R0.37 CC(C)C(C)(N)C(=O)O HR100972 [0,2,0,0,0,0|0,0,2]=4 577 B8R0.37 CC(C)C(C)(N)C(=O)O HR142699 [0,2,0,0,0,0|0,0,2]=4 578 B8R0.37 CC(C)C(C)(N)C(=O)O HR142798 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.37 [2H]C(N)(C(=O)O)C(C)C HR139038 [0,2,0,0,0,0|0,0,2]=4 580 B6R1.2 BrC1=CC=CO1 HR132225 [1,0,0,1,0,0|1,0,1]=4 581 B6R1.2 BrC1=COC=C1 HR8830 [1,0,0,1,0,0|1,0,1]=4 582 B6R1.2 CC1=CC=CN1 HR147294 [1,0,0,1,0,0|2,0,0]=4 583 B6R1.2 CC1=CC=CS1 HR131866 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.2 CC1=CC=NN1 HR10442 [1,0,0,1,0,0|2,0,0]=4 585 B6R1.2 CC1=CC=NO1 HR131159 [1,0,0,1,0,0|2,0,0]=4 586 B6R1.2 CC1=CNC=C1 HR13921 [1,0,0,1,0,0|1,0,1]=4 587 B6R1.2 CC1=COC=C1 HR125178 [1,0,0,1,0,0|0,0,1]=3 588 B6R1.2 CC1=COC=N1 HR121299 [1,0,0,1,0,0|1,0,1]=4 589 B6R1.2 CC1=NNC=C1 HR13253 [1,0,0,1,0,0|2,0,0]=4 590 B6R1.2 CC1=NOC=C1 HR104498 [1,0,0,1,0,0|1,0,0]=3 591 B6R1.2 CC1=NSC=C1 HR105128 [1,0,0,1,0,0|1,1,0]=4 592 B6R1.2 NC1=CC=NO1 HR120254 [1,0,0,1,0,0|2,0,0]=4 593 B6R1.2 NC1=NOC=C1 HR8627 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,1,0,0|1,0,0]=3 595 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,1,0,0|0,0,0]=2 596 B6R1.2 O=C1C=CON1 HR31911 [1,0,0,1,0,0|2,0,0]=4 597 B6R1.2 O=C1C=CSN1 HR146483 [1,0,0,1,0,0|2,0,0]=4 598 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,1,0,0|1,0,1]=4 599 B6R1.2 O=C1OC=CO1 HR128933 [1,0,0,1,0,0|1,0,1]=4 600 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,1,0,0|1,0,1]=4 601 B6R1.2 OC1=CNC=C1 HR106486 [1,0,0,1,0,0|2,0,0]=4 602 B6R1.3 O=CCC1CC1 HR139135 [1,0,0,1,0,0|0,0,2]=4 603 B6R1.5 CC1CC(=O)C1 HR121137 [1,0,0,1,0,0|0,0,2]=4 604 B6R1.11 O=C(O)C1CC1 HR133116 [1,0,0,1,0,0|0,0,2]=4 605 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,0,0,1,0,1|1,0,1]=4 606 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,0,0,1,0,1|1,0,0]=3 607 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,0,0,1,0,1|1,0,1]=4 608 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,0,0,1,0,1|1,0,1]=4 609 B8R1.3 CC1=CN=C(O)C=N1 HR147862 [0,0,0,1,0,1|1,0,1]=4 610 B8R1.3 CC1=NC=C(O)C=N1 HR110662 [0,0,0,1,0,1|2,0,0]=4 611 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,0,0,1,0,1|2,0,0]=4 612 B8R1.3 CC1=NNC(=O)CC1 HR117768 [0,0,0,1,0,1|2,0,0]=4 613 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,0,0,1,0,1|1,0,1]=4 614 B8R1.23 C=C1CC(C(=O)O)C1 HR113918 [0,0,0,1,0,1|0,0,2]=4 615 B8R1.23 CC1CC(C(=O)O)C1 HR111453 [0,0,0,1,0,1|0,0,2]=4 616 B8R1.23 CN1CC(C(=O)O)C1 HR148501 [0,0,0,1,0,1|1,0,1]=4 617 B8R1.23 O=C1CC(C(=O)O)C1 HR14220 [0,0,0,1,0,1|1,0,1]=4 618 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,0,0,1,0,1|0,0,2]=4 619 B8R1.77 CC1(C)CC1C(=O)O HR125256 [0,0,0,1,0,1|0,0,2]=4 620 B8R1.77 CC1(C)CC1C(=O)O HR138282 [0,0,0,1,0,1|0,0,2]=4 621 B8R1.1 CC1=CC(C=O)=CS1 HR33855 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.1 CC1=CC(C=O)=NO1 HR103093 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.1 CC1=CC(CBr)=NO1 HR115000 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.1 CC1=CC(CCl)=NO1 HR102383 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.1 CC1=CC(CN)=NO1 HR103413 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.1 CC1=CC(CN)=NO1 HR118684 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.1 CC1=CC(CO)=NO1 HR137351 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,1,0,1,0,0|0,1,1]=4 629 B8R1.1 CC1=CSC(CO)=C1 HR155961 [0,1,0,1,0,0|0,1,1]=4 630 B8R1.1 CC1=NOC(C=O)=C1 HR108689 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.1 CC1=NOC(CBr)=C1 HR106983 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.1 CC1=NOC(CN)=C1 HR118262 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.1 CC1=NOC(CO)=C1 HR108372 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.1 CCC1=NOC(N)=C1 HR107744 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.1 COC1=CC(=O)NC1 HR133516 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.1 O=CC1=CC(Br)=CO1 HR121241 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.1 O=CC1=CC(Br)=NO1 HR147340 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.4 CC1=CC(O)=NC=C1 HR127276 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.4 CC1=CN=CC(O)=C1 HR107413 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.4 O=C1COCC(=O)C1 HR103955 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.4 O=C1COCC(=O)O1 HR104159 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.18 CC1=CC(=O)N(C)N1 HR138216 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,1,0,1,0,0|0,0,1]=3 657 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,1,0,1,0,0|0,0,0]=2 658 B8R1.18 CC1=CC(Br)=NN1C HR108743 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [0,1,0,1,0,0|1,1,0]=4 660 B8R1.18 CC1=CC(C)=NN1C HR125395 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.18 CC1=CC(N)=NN1C HR101522 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.18 CC1=NN(C)C(O)=C1 HR147140 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,1,0,1,0,0|0,0,2]=4 666 B8R1.34 O=C(O)CC1COC1 HR145748 [0,1,0,1,0,0|0,0,2]=4 667 B8R1.34 O=[N+]([O-])C=C1COC1 HR112460 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.50 CC1=C(C)C(=O)N=N1 HR105352 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.50 CC1=C(O)C(=O)CC1 HR129501 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.50 CC1=C(O)C(=O)CO1 HR125202 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.50 CC1=NOC(C)=C1Br HR112510 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.50 CC1=NOC(C)=C1I HR124830 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.50 CC1=NOC(C)=C1N HR132271 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.50 CC1=NOC(N)=C1C HR140051 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.50 CC1=NOC(N)=C1Cl HR117963 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.54 NC(C(=O)O)C1CC1 HR125656 [0,1,0,1,0,0|0,0,2]=4 678 B8R1.54 NC(C(=O)O)C1CC1 HR126714 [0,1,0,1,0,0|0,0,2]=4 679 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,0,0,0,0,2|1,0,0]=3 680 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,0,0,0,0,2|1,0,0]=3 681 B8R0.28 CC(=O)OCC=C(C)C HR128839 [0,0,0,0,0,2|1,0,0]=3 682 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,0,0,0,0,2|1,0,0]=3 683 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,0,0,0,0,2|1,0,1]=4 684 B8R0.28 CN(C)C\C=C\C(=O)O HR112008 [0,0,0,0,0,2|1,0,0]=3 685 B8R0.28 CN(C)C\C=C\C(=O)O HR138898 [0,0,0,0,0,2|1,0,0]=3