0 B5R0.3 C=C(CBr)CBr SC-43603 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(O)CBr SC-69913 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CC(CCl)CBr SC-62287 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC(CN)CCl SC-40011 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CC(CN)CN SC-50225 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC(CO)CO SC-20510 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 CCC(=N)NO SC-56228 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CCC(=O)CN SC-94912 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(C)CBr SC-79299 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CCC(O)CN SC-40219 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CCC(O)OC SC-25588 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CNC(=O)CO SC-48574 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 COC(C)CO SC-97662 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 NCC(Br)CBr SC-40146 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 NCC(Cl)CCl SC-40268 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 NCC(O)CN SC-80923 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 NC[C@H](O)CO SC-45873 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.3 N\C(CCl)=N/O SC-51461 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 N\C(CO)=N\O SC-29594 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 O=C(CF)CF SC-49840 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 O=CC(O)CO SC-54496 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 OC[C@H](O)CCl SC-05684 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 C#CC(C)C SC-83017 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(C)CBr SC-16381 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(Cl)CN SC-40273 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CCN(C)C SC-05626 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C[C@@H](Cl)CO SC-70277 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 NCC(=O)O SC-26815 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 NCC(Br)Br SC-40061 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 NCC(Cl)Cl SC-40282 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 O=C(O)CO SC-85771 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.1 O=C([O-])CO SC-89096 [1,0,0,0,0,0|0,0,3]=4 32 B4R0.2 C=CCCBr SC-17888 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 CCCNN SC-66226 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 CCCNN SC-88572 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.2 CCCSC SC-88233 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 CCNCC SC-25726 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 CC[NH2+]CC SC-20006 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 CNCCO SC-26626 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 COCC[O-] SC-67452 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CSCCN SC-40144 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 C[SH+]CCCl SC-53966 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 FCCCF SC-62358 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 N#CCCS SC-66276 [1,0,0,0,0,0|1,1,1]=4 44 B4R0.2 NCCCCl SC-40009 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 NCCCF SC-48630 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 NCCCN SC-16220 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.1 C=CC[C@@H](O)CCl SC-30233 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 C=CC[C@H](O)CCl SC-31067 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CCC(O)COC SC-95930 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CCCC(Br)CC SC-87780 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCCC(O)CN SC-35839 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCCC(O)CO SC-65083 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCNC(C)CN SC-29669 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CC[C@@H](N)COC SC-48788 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CC[C@H](N)COC SC-48789 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.1 CN(CO)CCO SC-42099 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.1 COC\C(N)=N\O SC-29295 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CSCC(N)CO SC-69757 [0,1,0,0,0,0|1,1,0]=3 59 B6R0.3 CC(O)C(=O)CCl SC-52977 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 CCC(C)C(=O)O SC-22738 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CCC(Cl)C(=O)O SC-96228 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CCC(O)C(=N)N SC-41904 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CCC(O)C(=O)O SC-88990 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 C[C@H](O)[C@@H](N)CO SC-54023 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 NC(=O)C(N)CO SC-53653 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [0,1,0,0,0,0|1,1,1]=4 70 B6R0.3 [C@H](O)(CN)C(=O)O SC-18368 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.8 CC(C)(CO)CO SC-79890 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.8 CCP(=O)(O)CC SC-96218 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.9 CCC(CC)CI SC-66031 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.9 CCC(CC)CN SC-77976 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.9 CCC(CC)NN SC-38843 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.9 CCC(CN)OC SC-48021 [0,1,0,0,0,0|2,0,0]=3 77 B6R1.2 CC1CCOC1 SC-48311 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 ClC1CCOC1 SC-47840 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 NC1CCCC1 SC-26627 [0,0,0,1,0,0|3,0,0]=4 80 B6R1.2 OC1CCSC1 SC-53391 [0,0,0,1,0,0|1,1,0]=3 81 B6R1.2 [C@@H]1(N)CCNC1 SC-00475 [0,0,0,1,0,0|3,0,0]=4 82 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.6 CNC1COC1 SC-53803 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.6 COC1COC1 SC-52729 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.6 ICC1CCO1 SC-48435 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.6 OC[C@H]1CCN1 SC-66733 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.7 CC1(CCl)CC1 SC-48356 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.7 NC1(CO)CC1 SC-35705 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.7 NCC1(N)CC1 SC-53132 [0,0,0,1,0,0|3,0,0]=4 90 B3R0.1 FCCF SC-58115 [2,0,0,0,0,0|2,0,0]=4 91 B3R0.1 ICCI SC-90216 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.1 NCCBr SC-39967 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 NCCI SC-40010 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.1 OCCO SC-47188 [2,0,0,0,0,0|0,0,0]=2 95 B3R0.1 [Li]CCC SC-50170 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.2 CB(O)O SC-73705 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.2 CC(=O)O SC-18360 [2,0,0,0,0,0|0,0,2]=4 98 B3R0.2 CC(C)=O SC-20986 [2,0,0,0,0,0|0,0,2]=4 99 B3R0.2 CC(C)[O-] SC-15122 [2,0,0,0,0,0|0,0,1]=3 100 B3R0.2 CC(C)[O-] SC-25162 [2,0,0,0,0,0|0,0,1]=3 101 B3R0.2 CN(C)Br SC-53113 [2,0,0,0,0,0|2,0,0]=4 102 B3R0.2 CN(C)Cl SC-43613 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 CP(C)Cl SC-48837 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.2 C[S+](C)Br SC-73660 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.2 C[SnH2+](C)C SC-49273 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 OB(O)O SC-65217 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 C=CCC(C)O SC-49226 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 CC(=O)NCO SC-19774 [1,1,0,0,0,0|0,0,2]=4 109 B5R0.1 CC(Br)CCN SC-40141 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.1 CC(N)CCN SC-66926 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.1 CNCC(C)N SC-66085 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.1 COCC(=O)O SC-22928 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.1 COCC(C)=O SC-81373 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.1 COCC(C)=S SC-42217 [1,1,0,0,0,0|0,1,1]=4 115 B5R0.1 COC[C@H](C)N SC-43750 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 COC[C@H](C)N SC-51779 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.4 CC(C)(C)CN SC-22562 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.4 CCC(C)(C)I SC-70421 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.4 C[Si](C)(C)CO SC-58225 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.4 OCC(Cl)(Cl)Cl SC-16089 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 CC(C)C(C)N SC-27570 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.5 CC(O)C(=O)O SC-15841 [1,1,0,0,0,0|0,0,1]=3 123 B5R0.5 CC(O)C(=O)O SC-18578 [1,1,0,0,0,0|0,0,1]=3 124 B5R0.5 CC(O)C(=O)[O-] SC-15837 [1,1,0,0,0,0|0,0,2]=4 125 B5R0.5 CC(O)C(=O)[O-] SC-18033 [1,1,0,0,0,0|0,0,2]=4 126 B5R0.5 CC(O)C(=O)[O-] SC-46260 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.2 BrCCCCBr SC-00339 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.2 CCC#CCO SC-65673 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.2 CCCCNN SC-40662 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.2 CCCCNN SC-41028 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.2 CCCNCC SC-02236 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.2 CCNCCN SC-50818 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.2 CCOCCN SC-47824 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.2 CCSCCBr SC-16797 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.2 CCSCCN SC-65401 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.2 COCCCO SC-01427 [1,1,0,0,0,0|0,0,0]=2 137 B5R0.2 CSCCCO SC-54096 [1,1,0,0,0,0|0,1,0]=3 138 B5R0.2 NCCCCBr SC-39791 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.2 NCCCCF SC-25718 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.2 NC\C=C\CO SC-22303 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.2 OCCCCCl SC-17604 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.2 CC(CO)CN(C)C SC-49500 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.2 CCC(O)CC(C)O SC-95923 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.3 C=CCCC(O)CN SC-34956 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.3 CSCC[C@H](N)CO SC-08986 [0,2,0,0,0,0|1,1,0]=4 146 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.5 COCC(N)C(=O)O SC-43930 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.5 NCCC(O)C(=O)O SC-16245 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.7 CCCC(O)CCO SC-51686 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.7 COCC(C)COC SC-66246 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.10 COC(=O)[C@@H](N)CO SC-88547 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.11 COCC(C)(C)CN SC-49388 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.13 CC(N)(CO)C(=O)O SC-73786 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.13 CC(O)(CBr)C(=O)O SC-58676 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.14 CC(C)(C)C(O)CN SC-34706 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.14 CC(C)(C)[C@@H](N)CO SC-32092 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.14 CC(C)(C)[C@H](N)CO SC-31514 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.14 NCC(O)C(F)(F)F SC-35630 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.15 COC(OC)[C@@H](C)O SC-70217 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,2,0,0,0,0|1,0,1]=4 161 B5R1.2 ClC1CNC1 SC-43920 [1,0,0,1,0,0|2,0,0]=4 162 B5R1.3 CC[C@H]1CO1 SC-21973 [1,0,0,1,0,0|1,0,0]=3 163 B5R1.3 OCC1CS1 SC-70773 [1,0,0,1,0,0|0,1,0]=3 164 B5R1.4 CC1CC1N SC-88485 [1,0,0,1,0,0|2,0,0]=4 165 B5R1.1 C1=COCC1 SC-22656 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.1 BrCC1OCCO1 SC-18609 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.1 CNC1CCOC1 SC-14941 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.1 COC1CCCC1 SC-82890 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.1 CO[C@H]1CCNC1 SC-51991 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.1 ClCC1OCCO1 SC-27068 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.1 NCC1CCOC1 SC-35383 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.1 OCC1CCNC1 SC-19805 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.1 OCC1OCCO1 SC-87636 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.2 NC1CCC(O)C1 SC-45420 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.2 NN1CCC(O)C1 SC-29741 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,1,0,1,0,0|0,0,1]=3 180 B7R1.2 OC1CCC(O)C1 SC-66165 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.3 C[C@@H]1COCCN1 SC-53986 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.3 OC1CCCNC1 SC-06015 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.3 OC1CCNCC1 SC-45566 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.4 ClC1CCOC1Cl SC-62355 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.4 N[C@@H]1CCC[C@@H]1O SC-27358 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,1,0,1,0,0|0,0,2]=4 187 B7R1.4 O[C@H]1COC[C@H]1O SC-49236 [0,1,0,1,0,0|0,0,0]=2 188 B7R1.4 [C@H]1(N)CCC[C@@H]1O SC-20046 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.6 COCC1CNC1 SC-89956 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.10 NC1CC(CO)C1 SC-88222 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.10 NC[C@H]1C[C@@H](O)C1 SC-52916 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.10 OCC1CC(F)C1 SC-25285 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.22 NCC(O)C1CC1 SC-35505 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.25 CC1(CO)CNC1 SC-67286 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.14 CC1(O)CCCC1 SC-26720 [0,1,0,1,0,0|2,0,0]=4