0 B5R0.1 C=C(C)OCC SC-18086 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=COC(C)=O SC-79059 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(=O)OCBr SC-44237 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)=CC#N SC-47932 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(C)=CC=O SC-00290 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 CC(C)=CCBr SC-13678 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)=CCN SC-51952 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(C)=CCO SC-77150 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 CC(N)CCO SC-82589 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CCCC(C)N SC-53929 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CCCC(C)O SC-03320 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCNC(C)C SC-84122 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CCOC(C)=N SC-02547 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CCOC(C)=N SC-A3540 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CN(C)CC=O SC-51643 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 CN(C)CCBr SC-21756 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CN(C)CCBr SC-27529 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CN(C)CCCl SC-18600 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CN(C)CCCl SC-47184 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CN(C)CCO SC-87330 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 COCC(C)N SC-48787 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 COCC(C)O SC-00293 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 COC[C@@H](C)N SC-47724 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 COC[C@@H](C)O SC-04836 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 C[C@@H](N)CCO SC-48293 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 C[C@@H](O)CCO SC-05919 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C[C@H](O)CCO SC-02840 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 C\C=C/C(C)=O SC-48085 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C#CC(C)N SC-52789 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C#CC(C)N SC-A2988 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C#CC(C)O SC-26644 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(C)C=O SC-83411 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C=CC(C)O SC-43661 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C=C[C@H](C)N SC-67439 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CC(Br)C#N SC-48220 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(C)=NN SC-92874 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(C)=NO SC-25907 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(C)NN SC-21077 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)NN SC-73657 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(C)ON SC-87607 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(Cl)C#N SC-53702 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(N)C#N SC-92053 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|1,1,1]=4 48 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CNN(C)C SC-41461 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 COC(Cl)Cl SC-04782 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 [C@@H](C)(O)C#C SC-47963 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 [C@H](C)(O)C#C SC-47962 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 CCN=C=S SC-46927 [1,0,0,0,0,0|1,1,1]=4 77 B4R0.2 CCOCC SC-73354 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 C\C=C\OC SC-97407 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.2 O=C[N-]C=O SC-93635 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 COC(=O)CC=O SC-53143 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.2 CC(=O)OC(C)C SC-25616 [0,1,0,0,0,0|0,0,0]=1 92 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.2 CC(C)CB(O)O SC-06923 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.2 CC(C)NC(C)C SC-18336 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.2 CC(C)OC(C)C SC-65190 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.2 CN(C)CC(N)=O SC-89197 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.2 C[SiH](C)O[SiH](C)C SC-92131 [0,1,0,0,0,0|1,2,0]=4 109 B6R0.3 CC(C)C(=N)NO SC-29781 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CC(C)C(=O)NN SC-82184 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 CC(C)C(C)NN SC-41530 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.4 CC(C)NCCCl SC-96276 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(C)OCCBr SC-50384 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.4 CN(C)CCC=O SC-12823 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.4 CN(C)\C=C\C#N SC-53543 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.5 C=CC[P+](C)(C)C SC-95670 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.5 C=CC[Si](C)(C)C SC-27741 [0,1,0,0,0,0|2,1,0]=4 123 B6R0.5 CC(C)(C)CCCl SC-41626 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.5 CC(C)(C)ON=O SC-15268 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.5 CC(C)(N)CCO SC-89270 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.5 CC(C)(O)CC#N SC-65608 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.5 CC(C)(O)CCBr SC-A2798 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.5 CC(C)(O)CCN SC-14242 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.5 CC(C)(O)CCO SC-20680 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.5 C[SiH2]O[Si](C)(C)C SC-80489 [0,1,0,0,0,0|1,2,0]=4 131 B6R0.5 C[Si](C)(C)N=C=O SC-68964 [0,1,0,0,0,0|1,1,1]=4 132 B6R1.2 CC1=NC=CO1 SC-94134 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 CC1=NN=CO1 SC-28093 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 NC1CC=CC1 SC-21605 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 OC1CC=CC1 SC-22908 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.3 BrCCC1CC1 SC-52079 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.3 CNCC1CC1 SC-47993 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.3 ICCC1CC1 SC-B7584 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.3 N#CCC1CC1 SC-25467 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.3 NCCC1CC1 SC-14247 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.3 NCCC1CC1 SC-99606 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.3 NNCC1CC1 SC-67047 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.3 NOCC1CC1 SC-14038 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.3 O=C=NC1CC1 SC-49054 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.3 OCCC1CC1 SC-48582 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.3 OCCC1CC1 SC-48583 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.3 S=C=NC1CC1 SC-88590 [0,0,0,1,0,0|1,1,1]=4 157 B6R1.5 NC1CC(=O)C1 SC-50311 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.5 NC1CC(=O)C1 SC-67476 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.10 CC1(C)CNC1 SC-05287 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.11 CC(C)C1CO1 SC-72443 [0,0,0,1,0,0|1,0,2]=4 161 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|2,0,0]=4 162 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|1,0,1]=4 163 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,1]=4 164 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,1]=4 167 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.1 CNOC SC-17494 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 CNOC SC-74340 [2,0,0,0,0,0|1,0,1]=4 170 B3R0.1 COCBr SC-13660 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|1,0,1]=4 180 B3R0.2 CC(=O)[O-] SC-18995 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|1,0,1]=4 182 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|1,0,1]=4 184 B3R0.2 CC(=O)[O-] SC-88396 [2,0,0,0,0,0|1,0,1]=4 185 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|1,0,1]=4 186 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|0,0,1]=3 187 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|0,0,1]=3 188 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.2 CN(C)C SC-46902 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|1,0,0]=3 192 B3R0.2 C[S+](C)C SC-68838 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 C[S+](C)C SC-97925 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.3 C=C[C@H](N)CO SC-88199 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.3 CC(CO)CBr SC-35572 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.3 CO[C@H](C)CO SC-71357 [1,1,0,0,0,0|0,0,1]=3 201 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.4 C#CC(C)(C)C SC-22664 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.4 C#CC(C)(C)N SC-16037 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.4 C#CC(C)(C)O SC-26729 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.4 C=C[Si](C)(C)C SC-24537 [1,1,0,0,0,0|1,1,0]=4 208 B5R0.4 CC(C)(Br)C#N SC-99785 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.4 CC(C)(Br)CBr SC-97871 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.4 CC(C)(C)C#N SC-77544 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.4 CC(C)(C)C=O SC-05938 [1,1,0,0,0,0|0,0,0]=2 212 B5R0.4 CC(C)(C)CBr SC-24158 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.4 CC(C)(C)CCl SC-48963 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.4 CC(C)(C)CN SC-97733 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.4 CC(C)(C)CO SC-27689 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.4 CC(C)(C)NN SC-18273 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.4 CC(C)(C)NO SC-44932 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.4 CC(C)(C)ON SC-05608 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.4 CC(C)(F)CBr SC-84038 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.4 CC(C)(F)CO SC-14344 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.4 CC(C)(N)C#N SC-14060 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.4 CC(C)(N)CF SC-90380 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.4 CC(C)(N)CN SC-47310 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.4 CC(C)(N)CO SC-00654 [1,1,0,0,0,0|0,0,2]=4 225 B5R0.4 CC(C)(O)CBr SC-69889 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.4 CC(C)(O)CCl SC-05342 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.4 CC(C)(O)CO SC-93601 [1,1,0,0,0,0|0,0,2]=4 229 B5R0.4 CCC(C)(C)[O-] SC-25920 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.4 CO[Si](C)(C)C SC-36829 [1,1,0,0,0,0|0,1,1]=4 231 B5R0.4 CO[Si](C)(C)Cl SC-67305 [1,1,0,0,0,0|0,1,1]=4 232 B5R0.4 O=CC(F)(F)F SC-13064 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.4 O=CC(F)(F)F SC-13065 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.4 O=CC(F)(F)F SC-50081 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.4 [C-]#[N+]C(C)(C)C SC-78147 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.5 C=C(C)C(N)=O SC-74591 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.5 CC(=O)C(=O)O SC-17382 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.5 CC(=O)C(C)C SC-18478 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.5 CC(=O)C(C)S SC-17208 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.5 CC(=O)C(F)F SC-99156 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.5 CC(=O)N(C)C SC-54108 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.5 CC(Br)C(N)=O SC-97497 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.5 CC(C)B(O)O SC-66620 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.5 CC(C)C(=N)N SC-13079 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.5 CC(C)N(C)C SC-90248 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.5 CC(F)C(=O)O SC-83429 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.5 CC(N)C(=O)O SC-09271 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.5 CC(N)C(N)=O SC-94219 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.5 CC(S)C(=O)O SC-74563 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.5 CN(C)C(=S)Cl SC-15756 [1,1,0,0,0,0|1,1,0]=4 257 B5R0.5 CN(C)C(N)=S SC-A2077 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.5 O=C(O)C(F)Br SC-49620 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.5 O=C(O)C(F)F SC-25529 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.2 C=CCCCBr SC-47340 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.2 C=CCCCN SC-28944 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.2 C=CCCCO SC-78424 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.2 C=COCCO SC-22660 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.2 CC#CCC=O SC-89818 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.2 COCCC=O SC-85357 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.2 C\C=C\OCC SC-89361 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.2 O=C=NCCBr SC-82407 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.2 O=C=NCCCl SC-13627 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.2 O=CCCC=O SC-13455 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.2 O=CCCCBr SC-69595 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.2 CC(C)NC(=O)CBr SC-02491 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.5 CC(C)C(=O)OCCl SC-92989 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.7 CCOC(C)OCC SC-48313 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.7 CCOC(C)OCC SC-76677 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.9 CC(=O)N[Si](C)(C)C SC-10615 [0,2,0,0,0,0|1,1,0]=4 300 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [0,2,0,0,0,0|0,0,0]=2 301 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.9 CC(C)NS(=O)(=O)Cl SC-91753 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.4 CC(C)CCON=O SC-22768 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,2,0,0,0,0|0,0,0]=2 323 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,2,0,0,0,0|1,1,0]=4 327 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,2,0,0,0,0|0,0,0]=2 328 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SC-16745 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.8 C=CCO[Si](C)(C)C SC-95711 [0,2,0,0,0,0|1,1,0]=4 335 B7R0.8 C[Si](C)(C)C#CC=O SC-71156 [0,2,0,0,0,0|1,1,0]=4 336 B5R1.2 CC1CCN1 SC-70091 [1,0,0,1,0,0|1,0,1]=4 337 B5R1.2 CC1CCN1 SC-A3607 [1,0,0,1,0,0|1,0,1]=4 338 B5R1.2 CC1CCN1 SC-A3960 [1,0,0,1,0,0|1,0,1]=4 339 B5R1.2 CC1CNC1 SC-50429 [1,0,0,1,0,0|1,0,1]=4 340 B5R1.3 BrCC1CC1 SC-16841 [1,0,0,1,0,0|1,0,1]=4 341 B5R1.3 C#CC1CC1 SC-22635 [1,0,0,1,0,0|1,0,1]=4 342 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|2,0,0]=4 343 B5R1.3 ClCC1CC1 SC-27742 [1,0,0,1,0,0|1,0,1]=4 344 B5R1.3 N#CC1CC1 SC-17549 [1,0,0,1,0,0|1,0,1]=4 345 B5R1.3 NCC1CC1 SC-16854 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.3 NCC1CC1 SC-95616 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.3 NNC1CC1 SC-65163 [1,0,0,1,0,0|2,0,0]=4 348 B5R1.3 NNC1CC1 SC-68908 [1,0,0,1,0,0|2,0,0]=4 349 B5R1.3 NNC1CC1 SC-A3090 [1,0,0,1,0,0|2,0,0]=4 350 B5R1.3 NOC1CC1 SC-84445 [1,0,0,1,0,0|1,0,0]=3 351 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|0,0,0]=2 352 B5R1.3 OCC1CC1 SC-02886 [1,0,0,1,0,0|0,0,2]=4 353 B5R1.5 CC1(C)CO1 SC-77899 [1,0,0,1,0,0|0,0,1]=3 354 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|2,0,0]=4 355 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.1 BrCC1CCCO1 SC-00526 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 OCC1CC=CC1 SC-45771 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.1 OCC1CCCO1 SC-94849 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,1,0,1,0,0|0,0,2]=4 363 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|0,0,0]=2 366 B7R1.2 CC1COC(=O)O1 SC-65189 [0,1,0,1,0,0|0,0,0]=2 367 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,1,0,1,0,0|0,0,0]=2 369 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.3 CC1CNCCO1 SC-49158 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.3 CC1CNCCO1 SC-82780 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.3 CC1CNCCO1 SC-A3535 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.6 CCOC1CNC1 SC-28573 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.6 CCOC1CNC1 SC-48702 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.12 O=C(O)C1CC1F SC-85228 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.14 CC1(C)COC=N1 SC-69344 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.14 CC1(C)COCN1 SC-A4039 [0,1,0,1,0,0|1,0,1]=4