0 B5R0.3 C#CC(O)CC SC-68723 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C=CC(Cl)CCl SC-A3373 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 C=CC(O)C=C SC-20854 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.3 C=CC(O)CC SC-93539 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.3 C=C[C@H](N)CO SC-88199 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CC(CO)CBr SC-35572 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(=O)NN SC-25039 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCC(C)CO SC-08990 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CCC(N)CC SC-81736 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CCC(N)CO SC-21072 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(O)CC SC-62307 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.3 CC[PH](=O)CC SC-96905 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.3 CC\C(N)=N\O SC-28960 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 COC(C)CN SC-A4864 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 CO[C@H](C)CO SC-71357 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 N#CC(Br)CBr SC-18603 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 NC(CO)CO SC-16669 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 NCC(O)CO SC-15511 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 NC[C@@H](O)CO SC-06146 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 NC[C@H](O)CCl SC-89081 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 O=CC(Br)C=O SC-24696 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 O=CC(Cl)C=O SC-43728 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 O=CC(O)CO SC-04830 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 OCC(Br)CBr SC-75335 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 OCC(O)CO SC-13789 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 OC[C@@H](O)CCl SC-05423 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 [C@H](N)(CC)CO SC-08958 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 [C@H](O)(CN)CO SC-05739 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 C#CC(C)N SC-52789 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C#CC(C)N SC-A2988 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C#CC(C)O SC-26644 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.1 C=C(Br)CBr SC-46621 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C=C(C)C=O SC-83411 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(C)O SC-43661 [1,0,0,0,0,0|0,0,0]=1 39 B4R0.1 C=C[C@H](C)N SC-67439 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(Br)C#N SC-48220 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(C)NN SC-21077 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(C)NN SC-73657 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(C)ON SC-87607 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(Cl)C#N SC-53702 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC(N)C#N SC-92053 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|1,1,1]=4 52 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|0,0,1]=2 57 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|0,0,1]=2 61 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 COC(Cl)Cl SC-04782 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 FC(F)CBr SC-21856 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 FC(F)CI SC-82530 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 NCC(F)F SC-43926 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 OCC(F)F SC-16815 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 [C@@H](C)(O)C#C SC-47963 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.1 [C@H](C)(O)C#C SC-47962 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 C#CCNC SC-87202 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.2 C=CCON SC-96333 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 CCN=C=S SC-46927 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 CCOCC SC-73354 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.2 CNCC#N SC-13788 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 C\C=C\OC SC-97407 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 C=CC(=O)NCO SC-75438 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.1 CC[C@@H](N)COC SC-65714 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.1 CC[C@H](N)COC SC-89974 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.1 N#CC[C@@H](O)CCl SC-08974 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.1 N#CC[C@H](O)CCl SC-00699 [0,1,0,0,0,0|1,0,2]=4 143 B6R0.1 OCCC(O)CO SC-15322 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.1 OCC[C@H](O)CO SC-08973 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.3 C=C(Br)C(=O)OC SC-86871 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [0,1,0,0,0,0|1,0,2]=4 147 B6R0.3 C=C(F)C(=O)OC SC-44271 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CC(C)C(C)NN SC-41530 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|1,1,0]=3 162 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.8 C#CC(C)(O)C=C SC-17989 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.8 CCC(C)(N)C#N SC-89513 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.8 O=CC(Br)(Br)CBr SC-53498 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.8 [C-]#[N+]C(C)(C)CC SC-92914 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.9 C=CC(OC)OC SC-27140 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.9 CCB(CC)OC SC-22792 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.9 CCC(OC)OC SC-85699 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.9 COC(CBr)OC SC-25586 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.9 COC(CCl)OC SC-23347 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.9 COC(CN)OC SC-15365 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.9 COC(CO)OC SC-71481 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.9 COC(OC)OC SC-16111 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.9 OCC(CO)CO SC-43670 [0,1,0,0,0,0|2,0,1]=4 206 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.2 BrC1CCOC1 SC-49709 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|1,0,2]=4 209 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.2 FC1CCCC1 SC-09548 [0,0,0,1,0,0|1,0,2]=4 218 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 NC1CC=CC1 SC-21605 [0,0,0,1,0,0|1,0,2]=4 221 B6R1.2 NC1CCCC1 SC-84758 [0,0,0,1,0,0|1,0,2]=4 222 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.2 NC1CCOC1 SC-12746 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.2 NC1CCOC1 SC-35465 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,1,0,0|0,0,2]=3 230 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,1,0,0|1,0,2]=4 231 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,1,0,0|1,0,2]=4 232 B6R1.2 OC1=CC=NN1 SC-88403 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 OC1CC=CC1 SC-22908 [0,0,0,1,0,0|0,0,2]=3 235 B6R1.2 OC1CCCN1 SC-21341 [0,0,0,1,0,0|1,0,1]=3 236 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,1,0,0|1,0,1]=3 237 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,1,0,0|1,0,1]=3 238 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,1,0,0|1,0,1]=3 239 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,1,0,0|1,0,1]=3 240 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,1,0,0|1,0,1]=3 241 B6R1.2 ON1C=CC=N1 SC-83509 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,1,0,0|1,0,1]=3 243 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,1,0,0|1,0,1]=3 244 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,1,0,0|1,0,1]=3 245 B6R1.2 O[C@@H]1CNOC1 SC-83248 [0,0,0,1,0,0|2,0,1]=4 246 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,1,0,0|1,0,1]=3 247 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,1,0,0|1,0,1]=3 248 B6R1.2 O[C@H]1CNOC1 SC-83247 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,1,0,0|1,0,1]=3 251 B6R1.6 BrCC1CCC1 SC-17177 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.6 CNC1CCC1 SC-48003 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.6 ICC1CCC1 SC-B3939 [0,0,0,1,0,0|2,0,1]=4 254 B6R1.6 N#CC1CCC1 SC-43622 [0,0,0,1,0,0|2,0,1]=4 255 B6R1.6 NCC1CCC1 SC-12470 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.6 NCC1CCC1 SC-22241 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.6 NCC1CCC1 SC-A4294 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.6 NNC1CCC1 SC-12374 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.6 NNC1CCC1 SC-12770 [0,0,0,1,0,0|3,0,0]=4 260 B6R1.6 NNC1CCC1 SC-72265 [0,0,0,1,0,0|3,0,0]=4 261 B6R1.6 O=CC1CCC1 SC-14218 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.6 O=CC1COC1 SC-65750 [0,0,0,1,0,0|3,0,0]=4 263 B6R1.6 OCC1CCC1 SC-16736 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.6 OCC1CCO1 SC-48256 [0,0,0,1,0,0|1,0,1]=3 265 B6R1.7 C#CC1(N)CC1 SC-A3277 [0,0,0,1,0,0|1,0,2]=4 266 B6R1.7 CC1(CO)CC1 SC-54558 [0,0,0,1,0,0|2,0,1]=4 267 B6R1.7 N#CC1(N)CC1 SC-25117 [0,0,0,1,0,0|2,0,1]=4 268 B6R1.7 NC1(CO)CC1 SC-21613 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.7 NC1(CO)CC1 SC-52621 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.7 NCC1(O)CC1 SC-49870 [0,0,0,1,0,0|1,0,1]=3 271 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|1,0,0]=3 272 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|0,0,1]=3 273 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,0]=3 274 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 275 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,0]=3 277 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 278 B3R0.1 COCBr SC-13660 [2,0,0,0,0,0|2,0,0]=4 279 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 280 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|1,0,1]=4 281 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|2,0,0]=4 286 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,0]=3 290 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,0]=3 292 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|1,0,0]=3 293 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|1,1,0]=4 294 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|2,0,0]=4 296 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|0,0,2]=4 299 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|0,0,2]=4 300 B5R0.1 C=C(C)CCBr SC-26305 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.1 C=C(C)OCC SC-18086 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.1 C=COC(C)=O SC-79059 [1,1,0,0,0,0|0,0,2]=4 304 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.1 CC(N)CCO SC-82589 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.1 CCCB(O)O SC-47544 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 CCCC(C)N SC-53929 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.1 CCCC(C)O SC-03320 [1,1,0,0,0,0|0,0,1]=3 309 B5R0.1 CCNC(C)C SC-84122 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.1 CNCC(=O)O SC-10425 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.1 CNCC(F)F SC-34374 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.1 COCC(C)N SC-48787 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.1 COCC(C)O SC-00293 [1,1,0,0,0,0|0,0,1]=3 314 B5R0.1 COC[C@@H](C)N SC-47724 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.1 COC[C@@H](C)O SC-04836 [1,1,0,0,0,0|0,0,1]=3 316 B5R0.1 C[C@@H](N)CCO SC-48293 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.1 C[C@@H](O)CCO SC-05919 [1,1,0,0,0,0|0,0,1]=3 318 B5R0.1 C[C@H](O)CCO SC-02840 [1,1,0,0,0,0|0,0,1]=3 319 B5R0.1 C\C=C/C(=O)O SC-25924 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|0,0,2]=4 321 B5R0.1 C\C=C\B(O)O SC-15014 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.1 NCCC(=O)O SC-10014 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.1 NCCC(F)F SC-89198 [1,1,0,0,0,0|2,0,0]=4 324 B5R0.1 O=C(O)CCBr SC-18441 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.4 C#CC(C)(C)O SC-26729 [1,1,0,0,0,0|0,0,2]=4 327 B5R0.4 C=CC(F)(F)Br SC-17077 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.4 C=CS(C)(=O)=O SC-A3249 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.4 C=C[Si](C)(C)C SC-24537 [1,1,0,0,0,0|1,1,0]=4 330 B5R0.4 CC(C)(C)C=O SC-05938 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.4 CC(C)(O)CBr SC-69889 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.4 CC(C)(O)CCl SC-05342 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.4 CC(C)(O)CO SC-93601 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.4 CCC(C)(C)[O-] SC-25920 [1,1,0,0,0,0|0,0,2]=4 336 B5R0.4 CCC(Cl)(Cl)Cl SC-76666 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.4 CCS(=O)(=O)O SC-46368 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.5 C=C(F)C(=O)O SC-47473 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.5 CC(=O)C(C)C SC-18478 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.5 CC(=O)C(C)S SC-17208 [1,1,0,0,0,0|0,1,1]=4 342 B5R0.5 CC(Br)C(N)=O SC-97497 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.5 CC(C)B(O)O SC-66620 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.5 CC(C)C(=N)N SC-13079 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.5 CC(Cl)C(Cl)Cl SC-25006 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.5 CC(F)C(=O)O SC-83429 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.5 CC(N)C(=O)O SC-09271 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.5 CC(N)C(N)=O SC-94219 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.5 CC(O)C(C)O SC-08971 [1,1,0,0,0,0|0,0,1]=3 353 B5R0.5 CC(O)C(C)O SC-08972 [1,1,0,0,0,0|0,0,1]=3 354 B5R0.5 CC(O)C(C)O SC-81338 [1,1,0,0,0,0|0,0,1]=3 355 B5R0.5 CC(S)C(=O)O SC-74563 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.2 C#CCCCCl SC-46678 [1,1,0,0,0,0|0,0,2]=4 367 B5R0.2 C#CCCCI SC-A2786 [1,1,0,0,0,0|0,0,2]=4 368 B5R0.2 C#CCCCN SC-48603 [1,1,0,0,0,0|0,0,2]=4 369 B5R0.2 C#CCCCN SC-99931 [1,1,0,0,0,0|0,0,2]=4 370 B5R0.2 C=CCCCBr SC-47340 [1,1,0,0,0,0|0,0,0]=2 371 B5R0.2 C=CCCCN SC-28944 [1,1,0,0,0,0|0,0,0]=2 372 B5R0.2 C=CCCCO SC-78424 [1,1,0,0,0,0|0,0,0]=2 373 B5R0.2 C=CCN=C=O SC-43729 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.2 C=CCSSC SC-87236 [1,1,0,0,0,0|1,0,0]=3 375 B5R0.2 C=COCCO SC-22660 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.2 CC#CCC=O SC-89818 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.2 CCCCNN SC-68008 [1,1,0,0,0,0|1,0,1]=4 378 B5R0.2 CCSCCCl SC-43710 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.2 CNCCC#N SC-15494 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.2 CNCCCO SC-94106 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.2 CNCCNC SC-19090 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.2 CNCCOC SC-15056 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.2 CNCCSC SC-74374 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.2 CNCCSC SC-83575 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.2 COCCC=O SC-85357 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.2 COCCCBr SC-20920 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.2 COCCNN SC-53129 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.2 COCCNN SC-70814 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.2 C\C=C\OCC SC-89361 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.2 ClCCCCBr SC-17538 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.2 FCCCCBr SC-43880 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.2 ICCCCI SC-69402 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.2 N#CCCCBr SC-20060 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.2 N#CCCCCl SC-16423 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.2 NCCCCCl SC-14246 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.2 NCCCCN SC-20919 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.2 NCCCCO SC-48186 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.2 O=CCCC=O SC-13455 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.2 O=CCCCBr SC-69595 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.2 OCCCCBr SC-12645 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.2 OCCCCCl SC-23109 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,2,0,0,0,0|0,0,2]=4 403 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|0,0,1]=3 406 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.3 CCCCC(O)CO SC-74356 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.3 CCOCC(O)CO SC-90419 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.3 CSCCC(O)C#N SC-A3341 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.7 CCOC(=O)\C=C\[O-] SC-71247 [0,2,0,0,0,0|0,0,2]=4 424 B7R0.7 COCC(O)COC SC-65162 [0,2,0,0,0,0|0,0,2]=4 425 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|0,0,1]=3 426 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.10 OC(CS)C(O)CS SC-15337 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.10 [C@H](O)(CO)[C@H](O)CO SC-11315 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.12 CNCC(OC)OC SC-26635 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.12 COC(CCBr)OC SC-15080 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.12 COCC(OC)OC SC-73556 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.14 CC(C)(C)C(O)CBr SC-90410 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.15 COC(OC)C(C)=O SC-05972 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.18 C=CP(=O)(OC)OC SC-48461 [0,2,0,0,0,0|2,0,0]=4 454 B5R1.2 BrC1CCC1 SC-50402 [1,0,0,1,0,0|1,0,1]=4 455 B5R1.2 CC1CCN1 SC-70091 [1,0,0,1,0,0|1,0,1]=4 456 B5R1.2 CC1CCN1 SC-A3607 [1,0,0,1,0,0|1,0,1]=4 457 B5R1.2 CC1CCN1 SC-A3960 [1,0,0,1,0,0|1,0,1]=4 458 B5R1.2 IC1CCC1 SC-92367 [1,0,0,1,0,0|1,0,1]=4 459 B5R1.2 NC1CCC1 SC-20422 [1,0,0,1,0,0|1,0,1]=4 460 B5R1.2 OC1CNC1 SC-04637 [1,0,0,1,0,0|1,0,1]=4 461 B5R1.2 OC1CNC1 SC-19998 [1,0,0,1,0,0|1,0,1]=4 462 B5R1.2 OC1COC1 SC-25466 [1,0,0,1,0,0|1,0,1]=4 463 B5R1.2 OC1CSC1 SC-36448 [1,0,0,1,0,0|1,0,1]=4 464 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|0,0,0]=2 465 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|0,0,1]=3 466 B5R1.3 ClC[C@@H]1CO1 SC-06234 [1,0,0,1,0,0|1,0,1]=4 467 B5R1.3 ClC[C@H]1CO1 SC-04973 [1,0,0,1,0,0|1,0,1]=4 468 B5R1.3 FCC1CO1 SC-91371 [1,0,0,1,0,0|1,0,1]=4 469 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|2,0,0]=4 470 B5R1.3 OCC1CO1 SC-18485 [1,0,0,1,0,0|1,0,1]=4 471 B5R1.3 OC[C@@H]1CO1 SC-05422 [1,0,0,1,0,0|1,0,1]=4 472 B5R1.3 OC[C@H]1CO1 SC-05653 [1,0,0,1,0,0|1,0,1]=4 473 B5R1.5 CC1(N)CC1 SC-43846 [1,0,0,1,0,0|1,0,1]=4 474 B5R1.5 CC1(N)CC1 SC-69791 [1,0,0,1,0,0|1,0,1]=4 475 B5R1.1 C1=CCC=C1 SC-76630 [1,0,0,1,0,0|0,0,2]=4 476 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|0,0,0]=2 477 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,1,0,0|1,0,0]=3 478 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,0]=3 479 B5R1.1 [C-]1=CC=CC1 SC-15776 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.1 BrCC1=CC=NO1 SC-48455 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.1 BrCC1CCCO1 SC-00526 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.1 CCC1=CNC=N1 SC-83668 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.1 CCN1C=CN=C1 SC-06451 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.1 CC[C-]1C=CC=C1 SC-49908 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.1 CNC1CCOC1 SC-81912 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.1 CN[C@@H]1CCOC1 SC-A2281 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.1 COC1CCNC1 SC-12454 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.1 COC1CCNC1 SC-24177 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.1 CO[C@@H]1CCNC1 SC-25526 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.1 CO[C@@H]1CCNC1 SC-51990 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.1 CO[C@H]1CCNC1 SC-25506 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.1 ClCC1=NC=CO1 SC-48142 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.1 ClCC1=NOC=C1 SC-50785 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.1 ICC1CCOC1 SC-26534 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.1 N#CC1CCOC1 SC-28637 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.1 NCC1=CC=NO1 SC-67270 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.1 NCC1=CN=CO1 SC-84732 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.1 NCC1=CN=CO1 SC-87828 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.1 NCC1=CN=CO1 SC-89900 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.1 NCC1=NC=CO1 SC-87169 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.1 NCC1=NOC=C1 SC-51448 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.1 NCC1CCOC1 SC-12415 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.1 O=CC1CCCC1 SC-21778 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.1 O=CC1CCCC1 SC-44728 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.1 OCC1=COC=C1 SC-04508 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.1 OCC1=NOC=C1 SC-12938 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.1 OCC1C=CCN1 SC-92889 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.1 OCC1CC=CC1 SC-45771 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.1 OCC1CCCC1 SC-03842 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.1 OCC1CCCN1 SC-12006 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.1 OCC1CCCO1 SC-94849 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.1 OCC1CCOC1 SC-21250 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [0,1,0,1,0,0|1,0,1]=4 519 B7R1.1 OC[C@H]1CCCN1 SC-06270 [0,1,0,1,0,0|1,0,1]=4 520 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|0,0,2]=4 521 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|1,0,1]=4 522 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,1,0,1,0,0|0,0,2]=4 524 B7R1.2 NC1CCC(O)C1 SC-47773 [0,1,0,1,0,0|0,0,2]=4 525 B7R1.2 NC1CCC(O)C1 SC-47979 [0,1,0,1,0,0|0,0,2]=4 526 B7R1.2 NC1CCC(O)C1 SC-49660 [0,1,0,1,0,0|0,0,2]=4 527 B7R1.2 NC1CCC(O)C1 SC-51126 [0,1,0,1,0,0|0,0,2]=4 528 B7R1.2 NC1CCC(O)C1 SC-92977 [0,1,0,1,0,0|0,0,2]=4 529 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,1,0,1,0,0|0,0,2]=4 530 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,1,0,1,0,0|0,0,2]=4 533 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,1,0,1,0,0|0,0,2]=4 534 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.3 O=C1C=CCCN1 SC-25185 [0,1,0,1,0,0|0,0,2]=4 540 B7R1.3 O=C1C=CCCO1 SC-50374 [0,1,0,1,0,0|0,0,2]=4 541 B7R1.3 OC1=CN=NCC1 SC-89630 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.3 OC1CC=CCC1 SC-87372 [0,1,0,1,0,0|0,0,0]=2 543 B7R1.3 OC1CCCCO1 SC-84303 [0,1,0,1,0,0|0,0,2]=4 544 B7R1.3 OC1CCCNC1 SC-06262 [0,1,0,1,0,0|0,0,2]=4 545 B7R1.3 OC1CCCNC1 SC-47771 [0,1,0,1,0,0|0,0,2]=4 546 B7R1.3 OC1CCCOC1 SC-19794 [0,1,0,1,0,0|0,0,2]=4 547 B7R1.3 OC1CCCOC1 SC-35801 [0,1,0,1,0,0|0,0,2]=4 548 B7R1.3 OC1CCNCC1 SC-05165 [0,1,0,1,0,0|0,0,2]=4 549 B7R1.3 OC1CCOCC1 SC-02372 [0,1,0,1,0,0|0,0,2]=4 550 B7R1.3 OC1CCSCC1 SC-35917 [0,1,0,1,0,0|0,0,2]=4 551 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,1,0,1,0,0|0,0,2]=4 552 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,1,0,1,0,0|0,0,2]=4 553 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|0,0,2]=4 554 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|0,0,2]=4 555 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.4 CN1N=CC=C1O SC-91361 [0,1,0,1,0,0|1,0,1]=4 559 B7R1.4 NC1CCCC1O SC-21764 [0,1,0,1,0,0|0,0,2]=4 560 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,1,0,1,0,0|0,0,2]=4 566 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,1,0,1,0,0|0,0,2]=4 575 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,1,0,1,0,0|0,0,2]=4 576 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,1,0,1,0,0|0,0,2]=4 577 B7R1.22 NCC(O)C1CC1 SC-21038 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.25 NCC1(O)CCC1 SC-44159 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|1,0,0]=3 591 B7R1.14 CC1(O)CCNC1 SC-65706 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.14 C[C@]1(O)CCNC1 SC-91785 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.29 N#CC1(CO)CC1 SC-44481 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.29 NCC1(CO)CC1 SC-89064 [0,1,0,1,0,0|1,0,1]=4 595 B7R1.29 NCC1(CO)CC1 SC-A3139 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.29 OCC1(CO)CC1 SC-13840 [0,1,0,1,0,0|1,0,1]=4 597 B7R2.13 C1CC2OC2C1 SC-15327 [0,0,0,2,0,0|0,0,2]=4