0 B5R0.3 BrCC(Br)CBr 001242 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(O)CC 164300 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 C=CC(=O)NN 094243 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=CC(=O)OC 520477 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 C=CC(C)C#N 106335 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=CC(O)CC 464567 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.3 C=CC(O)CO 099464 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 CC(CBr)CBr 229847 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC(CCl)CBr 239837 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CC(CO)CO 242900 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CCC(=O)CBr 002514 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.3 CCC(=O)CC 094591 [0,0,0,0,0,0|0,0,4]=4 12 B5R0.3 CCC(=O)NC 103047 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.3 CCC(=O)NN 026652 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CCC(Br)CC 358240 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.3 CCC(C)C=O 103622 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CCC(C)CC 098988 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.3 CCC(C)CN 013636 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 CCC(C)CO 358145 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 CCC(C)NN 046283 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CCC(N)CC 094499 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.3 CCC(N)CO 091481 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CCC(O)C#N 103338 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.3 CCC(O)CC 358049 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.3 CCC(O)CN 002496 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.3 CCN(C)CC 493739 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 CCN(O)CC 105777 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.3 CCN(O)CC 129600 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.3 CCS(=O)CC 094782 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.3 CC[C@@H](N)CO 012703 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 CC[C@H](C)CO 473128 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.3 CC[C@H](N)CO 012704 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 CC\C(C)=N\O 099127 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 COC(C)OC 104486 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 C\C=C(/C)C=O 245796 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.3 ClCC(Cl)CCl 099132 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 NC(CO)CO 043594 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 NCC(O)CN 013503 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 NCC(O)CO 093744 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 NC[C@@H](O)CO 036807 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 NC[C@H](O)CCl 320853 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.3 O=CC(Br)C=O 078260 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.3 OC(CBr)CBr 242654 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.3 OC(CCl)CCl 214775 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.3 OCC(O)CCl 242924 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.3 OCC(O)CO 094580 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 OCC(O)CO 102072 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.3 OCC(O)CO 104202 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.3 OCC(O)CS 104512 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.3 OC[C@@H](O)CCl 079187 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|0,0,2]=3 52 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C=C(Cl)CCl 003399 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C=CC(=O)O 099597 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|0,0,0]=1 65 B4R0.1 C=CC(N)=O 047867 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 C=CC(N)=O 104581 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|0,0,3]=4 99 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|0,0,3]=4 100 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|0,0,3]=4 101 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|0,0,3]=4 102 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|0,0,1]=2 107 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|0,1,1]=3 108 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|0,0,1]=2 112 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.1 NCC(=O)O 105741 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 NCC(=O)O 229198 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 NCC(=O)O M03001 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 O=C(O)CBr 004135 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 O=C(O)CCl 095375 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 O=C(O)CI 520348 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 O=C(O)CS 097732 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|0,0,2]=3 146 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|1,0,2]=4 148 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 C=CCC#N 355220 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|1,0,0]=2 152 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|1,0,0]=2 153 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|1,0,0]=2 154 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.2 C=CCON 471484 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.2 C=CC[Pd]Cl 046130 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|0,0,2]=3 163 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|1,0,1]=3 169 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|1,0,1]=3 170 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|0,1,2]=4 184 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|1,0,2]=4 186 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.2 COCCO 043320 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.2 COCCO 102150 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.2 COCOC 094560 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 C\C=C\C=O 245633 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|1,0,2]=4 201 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 Cl\C=C\CCl 358262 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 C=CC(=O)NCO 243116 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 C=CC(=O)OCC 094594 [0,1,0,0,0,0|0,0,2]=3 228 B6R0.1 C=CC(O)CCC 241561 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.1 C=CCC(=O)OC 513980 [0,1,0,0,0,0|1,0,2]=4 230 B6R0.1 C=COC(=O)CC 005111 [0,1,0,0,0,0|0,0,2]=3 231 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|1,0,2]=4 235 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|0,0,2]=3 237 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.1 CCOC(=O)C=O 079534 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|1,0,2]=4 242 B6R0.1 CC\C=C(/C)C=O 103302 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.1 COC(=O)\C=C\[O-] 102950 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.1 C\C=C\C(=O)OC 236942 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.1 N#CC[C@H](O)CCl 092339 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|0,0,2]=3 250 B6R0.3 C=C(C)C(=O)NC 241594 [0,1,0,0,0,0|1,0,2]=4 251 B6R0.3 C=C(C)C(=O)OC 995248 [0,1,0,0,0,0|1,0,2]=4 252 B6R0.3 C=C(F)C(=O)OC 092134 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,0,0,0,0|1,0,2]=4 254 B6R0.3 C=CN(C)C(C)=O 235676 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.3 CC(CN)C(=O)O 226386 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.3 CCC(=O)C(C)=O 464570 [0,1,0,0,0,0|0,0,3]=4 260 B6R0.3 CCC(Br)C(=O)Br 241269 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|0,0,2]=3 269 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 CNC(C)C(=O)O 075290 [0,1,0,0,0,0|3,0,0]=4 272 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,1,0,0,0,0|3,0,0]=4 274 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.3 NC(CS)C(=O)O 241173 [0,1,0,0,0,0|3,0,0]=4 278 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|3,0,0]=4 280 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.3 O=C(O)C(Br)CBr 077984 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.8 C#CC(C)(O)C=C 013659 [0,1,0,0,0,0|0,0,2]=3 290 B6R0.8 C#CC(C)(O)CC 506763 [0,1,0,0,0,0|0,0,2]=3 291 B6R0.8 C=CS(=O)(=O)CC 002475 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.8 O=CC(Br)(Br)CBr 239010 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.9 CCC(C=O)CC 245909 [0,1,0,0,0,0|2,0,0]=3 294 B6R0.9 CCC(CC)CO 093975 [0,1,0,0,0,0|0,0,2]=3 295 B6R0.9 CCC(CC)NN 047022 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.9 CCC(CN)OC 041816 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.9 CCN(C=O)CC 049814 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.9 COC(C=O)OC 105790 [0,1,0,0,0,0|2,0,0]=3 299 B6R0.9 COC(CBr)OC 003454 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.9 COC(CCl)OC 099309 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.9 COC(CN)OC 094452 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.9 COC(OC)OC 095019 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.9 OCC(CO)CO 222829 [0,1,0,0,0,0|2,0,1]=4 304 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|1,0,2]=4 305 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|2,0,1]=4 306 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|1,0,2]=4 307 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|1,0,2]=4 308 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|2,0,1]=4 309 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|1,0,2]=4 310 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|2,0,1]=4 311 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|2,0,1]=4 312 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|1,0,2]=4 313 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|1,0,2]=4 314 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|1,0,2]=4 315 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|2,0,1]=4 317 B6R1.2 O=C1C=CCC1 049816 [0,0,0,1,0,0|0,0,2]=3 318 B6R1.2 O=C1C=CCO1 095003 [0,0,0,1,0,0|1,0,2]=4 319 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|0,0,2]=3 320 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|0,0,2]=3 321 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|1,0,1]=3 322 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,0,1]=3 323 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|1,0,1]=3 324 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,0,1]=3 325 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|1,0,1]=3 326 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|1,0,1]=3 327 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,0,1]=3 328 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|0,1,2]=4 329 B6R1.6 BrCC1CCC1 067868 [0,0,0,1,0,0|2,0,1]=4 330 B6R1.6 ICC1CCC1 099276 [0,0,0,1,0,0|2,0,1]=4 331 B6R1.6 N#CC1CCC1 003364 [0,0,0,1,0,0|2,0,1]=4 332 B6R1.6 OCC1CCC1 009111 [0,0,0,1,0,0|2,0,1]=4 333 B6R1.7 N#CC1(N)CC1 050232 [0,0,0,1,0,0|2,0,1]=4 334 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 335 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|0,0,2]=4 336 B3R0.1 C=CC#N 102466 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|1,0,0]=3 338 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,0]=2 339 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|1,0,0]=3 340 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|1,0,0]=3 342 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|0,0,0]=2 343 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|0,1,0]=3 344 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|1,0,0]=3 346 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 347 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 348 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 349 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,0]=2 350 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,0]=2 351 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 352 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 353 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,1]=4 354 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 COC=O 101914 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 358 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|0,0,2]=4 360 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|0,0,2]=4 361 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|1,0,1]=4 362 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|1,0,1]=4 363 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 369 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 371 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 372 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 376 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 377 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,0]=3 380 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,1,0]=4 381 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,0]=3 384 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,0]=3 385 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,1,0]=4 389 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 392 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|1,0,1]=4 398 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,1]=3 411 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,1]=3 412 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,1]=3 413 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,1]=3 414 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,1]=3 415 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,1]=4 416 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,2]=4 417 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,2]=4 418 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,1]=4 419 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 420 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.1 C#CCC(C)O 532537 [1,1,0,0,0,0|0,0,2]=4 422 B5R0.1 C=C(C)CCBr 223736 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 C=C(C)CCO 358461 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.1 C=C(C)OCC 471668 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 C=CCC(C)C 106337 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.1 C=COC(C)=O 098012 [1,1,0,0,0,0|0,0,2]=4 427 B5R0.1 CC(Br)CCBr BR1240 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.1 CC(C)=CC=O 386384 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.1 CC(C)CC=O 094970 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.1 CC(C)CCBr BR1353 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.1 CC(C)CCI 046949 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.1 CC(C)CCN 097749 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.1 CC(C)CCO 097704 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.1 CC(C)CCO 103352 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.1 CC(C)CCS 358459 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.1 CC(C)NC=O 103706 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.1 CC(O)CCO 099380 [1,1,0,0,0,0|0,0,1]=3 438 B5R0.1 CCCB(O)O 092177 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.1 CCCC(=O)O 102473 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.1 CCCC(C)Br 024476 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.1 CCCC(C)Br BR1101 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 CCCC(C)C 098758 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CCCC(C)N 097754 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.1 CCCC(C)O 099024 [1,1,0,0,0,0|0,0,1]=3 445 B5R0.1 CCCC(C)S 070734 [1,1,0,0,0,0|0,1,1]=4 446 B5R0.1 CCC[C@H](C)O 036089 [1,1,0,0,0,0|0,0,1]=3 447 B5R0.1 CCNC(C)C 057128 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.1 CNCC(=O)O 095119 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.1 CNCC(C)C 047078 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.1 COCC(=O)O 237785 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.1 COCC(C)N 402335 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.1 COCC(C)O 093985 [1,1,0,0,0,0|0,0,1]=3 453 B5R0.1 COC[C@@H](C)N 079780 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.1 COC[C@@H](C)O 036090 [1,1,0,0,0,0|0,0,1]=3 455 B5R0.1 CSCC(=O)O 010416 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.1 C[C@@H](N)CCO 092790 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.1 C[C@@H](O)CCO 041923 [1,1,0,0,0,0|0,0,1]=3 458 B5R0.1 C[C@H](N)CCO 092789 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 C[C@H](O)CCO 041922 [1,1,0,0,0,0|0,0,1]=3 460 B5R0.1 C\C=C\C(=O)O 092792 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.1 NCCC(=O)O 044720 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.1 O=C(O)CCBr 003025 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.1 O=C(O)CCCl 242740 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 O=C(O)CCI 003069 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.1 O=C(O)CCO 147100 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.1 O=C(O)CCS 094485 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|0,0,2]=4 468 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|1,0,0]=3 469 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|0,0,0]=2 470 B5R0.4 C=CC(F)(F)F 003335 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.4 C=CP(=O)(O)O 105842 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.4 C=CS(C)(=O)=O 001782 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.4 C=C[Si](C)(C)C S22050 [1,1,0,0,0,0|1,1,0]=4 474 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,0,1]=3 484 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,0,2]=4 485 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,0,2]=4 486 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,0,2]=4 487 B5R0.5 C=C(C)C(=C)C 104405 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.5 C=C(C)C(=O)O 098014 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.5 C=C(C)C(C)=O 155400 [1,1,0,0,0,0|0,0,2]=4 490 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|0,0,1]=3 493 B5R0.5 CC(Br)C(=O)Br BR1124 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.5 CC(Br)C(N)=O 222852 [1,1,0,0,0,0|2,0,0]=4 497 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|2,0,0]=4 498 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.5 CC(Cl)C(N)=O 369655 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|1,0,0]=3 510 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|1,0,0]=3 511 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|0,0,1]=3 519 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.5 C[C@H](N)C(N)=O 092189 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|0,0,1]=3 527 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|0,0,2]=4 531 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|0,0,2]=4 532 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|0,0,2]=4 533 B5R0.2 C=CCCC#N 013686 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.2 C=CCCC=C 106336 [1,1,0,0,0,0|0,0,1]=3 535 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|0,0,0]=2 538 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|0,0,0]=2 539 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|0,0,0]=2 540 B5R0.2 C=CCN=C=S 018163 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.2 C=CCNC=O 065354 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|0,0,2]=4 544 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|0,0,2]=4 545 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|0,0,1]=3 546 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|0,0,1]=3 547 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|0,0,2]=4 548 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|0,0,2]=4 549 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|0,0,2]=4 550 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|0,0,2]=4 552 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|0,0,2]=4 553 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|0,0,2]=4 554 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|0,0,2]=4 555 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|0,0,2]=4 556 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.2 CCCN=C=S 009571 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|0,0,2]=4 560 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|1,0,1]=4 565 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|1,0,1]=4 567 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|1,0,1]=4 568 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|0,0,2]=4 569 B5R0.2 CC\C=C\C=O 466581 [1,1,0,0,0,0|0,0,1]=3 570 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|0,0,2]=4 571 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.2 C\C=C\C=C\C 046824 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|0,0,2]=4 602 B7R0.2 C=CC(=O)NC(C)C 046835 [0,2,0,0,0,0|0,0,2]=4 603 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.2 CN(C)CC(O)CO 077998 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.3 C=CC(=O)NCCN 362041 [0,2,0,0,0,0|0,0,2]=4 608 B7R0.5 C=C(C)C(=O)OCC 098938 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.5 CCCC(Br)C(=O)O 114500 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.5 CCCC(N)C(=O)O 044733 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.7 C=COC(=O)CCC 005032 [0,2,0,0,0,0|0,0,2]=4 623 B7R0.7 C\C=C\C(=O)OCC 098555 [0,2,0,0,0,0|0,0,2]=4 624 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.12 C=CCN(CC)CC 098907 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|1,0,1]=4 636 B7R0.13 C#CC(C)(O)C(C)C 103638 [0,2,0,0,0,0|0,0,2]=4 637 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.13 CCC(F)(F)C(=O)O 024845 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|0,0,2]=4 643 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.15 CCC(CC)C(=O)O 237870 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|1,0,1]=4 646 B7R0.15 CCC(CC)C(N)=O 103936 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.15 COC(OC)C(C)=O 095023 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.18 C#CC(O)(CC)CC 103397 [0,2,0,0,0,0|0,0,2]=4 660 B7R0.18 C=C[Si](C)(OC)OC S21850 [0,2,0,0,0,0|1,1,0]=4 661 B7R0.18 CCC(N)(CO)CO 243032 [0,2,0,0,0,0|1,0,1]=4 662 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,1]=4 663 B5R1.2 O=C1CCO1 167800 [1,0,0,1,0,0|1,0,1]=4 664 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|0,0,1]=3 665 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|1,0,1]=4 666 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|1,0,1]=4 667 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|1,0,1]=4 668 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|0,0,1]=3 669 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|1,0,1]=4 670 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|1,0,1]=4 671 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|1,0,1]=4 672 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|2,0,0]=4 673 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|1,0,1]=4 674 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|1,0,1]=4 675 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|1,0,1]=4 676 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|0,0,0]=2 677 B5R1.1 C1=CCNC1 013932 [1,0,0,1,0,0|1,0,0]=3 678 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|1,0,0]=3 679 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,1]=4 680 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|1,0,1]=4 681 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|1,0,1]=4 682 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|1,0,1]=4 683 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|1,0,1]=4 684 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|1,0,1]=4 685 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|1,0,1]=4 686 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|1,0,1]=4 687 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|1,0,1]=4 688 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|1,0,1]=4 689 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.1 BrCC1OCCO1 077359 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.1 CCC1=CC=CN1 002567 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.1 CCC1=CC=CS1 001177 [0,1,0,1,0,0|0,1,1]=4 694 B7R1.1 CCC1=CSC=C1 006141 [0,1,0,1,0,0|0,1,1]=4 695 B7R1.1 CCC1=NC=CN1 018684 [0,1,0,1,0,0|1,0,1]=4 696 B7R1.1 CCN1C=CC=C1 002566 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.1 CCN1C=CC=N1 068645 [0,1,0,1,0,0|2,0,0]=4 698 B7R1.1 CCN1C=CN=C1 078976 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|0,0,2]=4 700 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|0,0,2]=4 701 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.1 ClCC1OCCO1 080067 [0,1,0,1,0,0|1,0,1]=4 703 B7R1.1 NCC1=CC=CO1 358202 [0,1,0,1,0,0|1,0,1]=4 704 B7R1.1 NCC1=CN=CO1 076442 [0,1,0,1,0,0|1,0,1]=4 705 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|1,0,1]=4 706 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|1,0,1]=4 708 B7R1.1 OCC1=CC=CO1 143000 [0,1,0,1,0,0|1,0,1]=4 709 B7R1.1 OCC1=COC=C1 092657 [0,1,0,1,0,0|1,0,1]=4 710 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|0,0,2]=4 711 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|1,0,1]=4 712 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|1,0,1]=4 714 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|1,0,1]=4 717 B7R1.1 SCC1=CC=CO1 002796 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,1,0,0|0,0,2]=4 719 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|2,0,0]=4 720 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|0,0,2]=4 722 B7R1.2 CN1CCC(O)C1 040009 [0,1,0,1,0,0|0,0,2]=4 723 B7R1.2 CN1CC[C@H](O)C1 092713 [0,1,0,1,0,0|0,0,2]=4 724 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|1,0,1]=4 726 B7R1.2 OC1CCC(O)C1 501728 [0,1,0,1,0,0|0,0,2]=4 727 B7R1.2 O[C@@H]1C=C[C@H](O)C1 501741 [0,1,0,1,0,0|0,0,0]=2 728 B7R1.3 BrC1C=CCCC1 091672 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.3 O=C1C=CCCC1 040004 [0,1,0,1,0,0|0,0,2]=4 730 B7R1.3 OC1CCCCC1 094602 [0,1,0,1,0,0|0,0,2]=4 731 B7R1.3 OC1CCCCO1 068766 [0,1,0,1,0,0|0,0,2]=4 732 B7R1.3 OC1CCCNC1 011774 [0,1,0,1,0,0|0,0,2]=4 733 B7R1.3 OC1CCCNC1 068876 [0,1,0,1,0,0|0,0,2]=4 734 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|0,0,2]=4 735 B7R1.3 OC1CCNCC1 043869 [0,1,0,1,0,0|0,0,2]=4 736 B7R1.3 OC1CCOCC1 068764 [0,1,0,1,0,0|0,0,2]=4 737 B7R1.3 OC1COCOC1 069030 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.3 O[C@@H]1CCCNC1 011776 [0,1,0,1,0,0|0,0,2]=4 739 B7R1.3 O[C@H]1CCCNC1 011775 [0,1,0,1,0,0|0,0,2]=4 740 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|2,0,0]=4 742 B7R1.4 NC1CCNC1=O 047644 [0,1,0,1,0,0|2,0,0]=4 743 B7R1.4 NC1CCOC1=O 432676 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [0,1,0,1,0,0|0,0,2]=4 745 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.4 O=C1NCCC1O 093757 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [0,1,0,1,0,0|0,0,2]=4 749 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [0,1,0,1,0,0|1,0,1]=4 750 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|1,0,1]=4 751 B7R1.25 C=CC1(O)COC1 305027 [0,1,0,1,0,0|0,0,0]=2 752 B7R1.25 CC1(C=O)COC1 224037 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|1,0,1]=4 754 B7R1.18 NC(=O)C1CCC1 243268 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.18 O=C(Cl)C1CCC1 009110 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.18 O=C(O)C1CCC1 003366 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.18 O=C(O)C1CCN1 047646 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.19 NC(=O)C1(Br)CC1 244431 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.19 NC1(C(=O)O)CC1 043411 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.19 O=C(O)C1(Br)CC1 043233 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|0,0,2]=4 762 B7R1.29 OCC1(CO)CC1 067771 [0,1,0,1,0,0|1,0,1]=4 763 B7R2.13 C1CC2OC2C1 078957 [0,0,0,2,0,0|0,0,2]=4 764 B7R2.13 C1OCC2OC12 091902 [0,0,0,2,0,0|1,0,1]=4