0 B5R0.1 CC(C)CNN BBS-00006851 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(C)N=C=O BBS-00020504 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(N)CCO BBS-00017066 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CNCC(=O)O BBS-00022461 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 COCC(C)N BBS-00028799 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 CSCC(C)N BBS-00032559 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 NCCC(=O)O BBS-00028074 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 NNCC(F)F BBS-00024837 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 NNCC(F)F BBS-00032794 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 NOCC(=O)O BBS-00039484 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 O=C(O)CCS BBS-00038803 [0,0,0,0,0,0|1,1,1]=3 11 B4R0.1 C#CC(C)N BBS-00030121 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(=O)CCl BBS-00004082 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(C)CN BBS-00020833 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(C)NN BBS-00024807 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(N)CF BBS-00026269 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CCC(=N)N BBS-00024955 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CCC(N)=O BBS-00028396 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 COC(C)=O BBS-00032571 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CSC(N)N BBS-00013733 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C\C(N)=N\O BBS-00013452 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C\N=[N+](/C)[O-] BBS-00022567 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 N=C(N)CO BBS-00025049 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 NCC(=O)O BBS-00003777 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 O=C(O)CO BBS-00004277 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 CCCNN BBS-00032546 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 CCN=C=S BBS-00004372 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.2 CNCCI BBS-00032731 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 COCC#N BBS-00021196 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 N#CCCCl BBS-00028153 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 NCCCN BBS-00004281 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 NCCCS BBS-00016508 [1,0,0,0,0,0|1,1,0]=3 32 B4R0.2 OCCCO BBS-00004418 [1,0,0,0,0,0|0,0,0]=1 33 B6R0.1 CCC\C(N)=N\O BBS-00019744 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CNC(C)CSC BBS-00032852 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 COC(=O)CCN BBS-00022916 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.1 [NH3+]CCC(F)C[NH3+] BBS-00026129 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.2 CC(=O)CC(C)C BBS-00028076 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 CC(C)CC(N)=O BBS-00025732 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.2 CC(N)CC(=O)O BBS-00020853 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.2 CC(O)CC(C)S BBS-00029294 [0,1,0,0,0,0|0,1,0]=2 41 B6R0.2 CN(C)CC(=O)O BBS-00031818 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.2 O=C(O)CC(=O)O BBS-00003780 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.3 CC(C)\C(N)=N\O BBS-00013453 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 CC(CN)N(C)C BBS-00008309 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 CCC(N)C(=O)O BBS-00028679 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CCC(O)C(C)Br BBS-00033232 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 COC(=O)C(C)O BBS-00028814 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 NC(=O)C(N)CO BBS-00028920 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.3 NC(CO)C(=O)O BBS-00027543 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.3 NC(CS)C(=O)O BBS-00025588 [0,1,0,0,0,0|1,1,1]=4 51 B6R0.3 O=C(O)C(Br)CBr BBS-00032702 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 O=C(O)C(S)CS BBS-00021075 [0,1,0,0,0,0|1,1,1]=4 53 B6R0.4 CC(C)CN=C=O BBS-00018035 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.4 CC(C)SCCCl BBS-00015673 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.4 CN(C)CCC#N BBS-00032668 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.4 CN(C)CCNN BBS-00024830 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.4 COCCC(=N)N BBS-00021181 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 NCCCC(=O)O BBS-00028541 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 O=C(O)CCCBr BBS-00039490 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.5 CC(C)(C)CNN BBS-00024836 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.5 CCNC(C)(C)C BBS-00025642 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.5 COCC(C)(C)N BBS-00011997 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.5 CS(=O)(=O)CCN BBS-00013116 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.5 CS(=O)(=O)CCN BBS-00029667 [0,1,0,0,0,0|2,0,1]=4 65 B6R1.2 NC1CCCC1 BBS-00003621 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.2 O=C1CCNC1 BBS-00029850 [0,0,0,1,0,0|1,0,2]=4 67 B6R1.2 OC1CCNC1 BBS-00033264 [0,0,0,1,0,0|1,0,0]=2 68 B6R1.3 CNCC1CC1 BBS-00024851 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.3 NCCC1CC1 BBS-00025097 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.3 NNCC1CC1 BBS-00026257 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.3 [NH3+]OCC1CC1 BBS-00032418 [0,0,0,1,0,0|3,0,0]=4 72 B6R1.8 CC1CC1CN BBS-00017216 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.8 CC1CC1CO BBS-00017218 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.8 CCC1OC1C BBS-00033237 [0,0,0,1,0,0|1,0,0]=2 75 B6R1.8 CO[C@@H]1C[C@H]1N BBS-00022900 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.9 CC1(C)CC1N BBS-00017200 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.10 CC1(C)CNC1 BBS-00016642 [0,0,0,1,0,0|3,0,0]=4 78 B6R1.11 CC(=O)C1CC1 BBS-00004282 [0,0,0,1,0,0|1,0,2]=4 79 B3R0.1 CCNO BBS-00026502 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 NCCBr BBS-00028408 [2,0,0,0,0,0|2,0,0]=4 81 B3R0.1 NCCN BBS-00032793 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.1 NCCN BBS-00032909 [2,0,0,0,0,0|2,0,0]=4 83 B3R0.1 NCCS BBS-00020848 [2,0,0,0,0,0|1,1,0]=4 84 B3R0.1 OCCO BBS-00004320 [2,0,0,0,0,0|0,0,0]=2 85 B3R0.1 OCCS BBS-00024265 [2,0,0,0,0,0|0,1,0]=3 86 B5R0.3 C(=O)C(O)CO BBS-00029374 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.3 C(C)=C(\C)CO BBS-00029567 [1,1,0,0,0,0|0,0,2]=4 88 B5R0.3 CC(C#N)CBr BBS-00033139 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 CC(CN)CO BBS-00016648 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.3 CC(CO)NN BBS-00022979 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.3 CCC(C)NN BBS-00032568 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.3 CCC(N)CN BBS-00027091 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.3 CCN(N)CC BBS-00006718 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.3 CC\C(N)=N\O BBS-00019746 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.3 NCC(Br)CBr BBS-00029305 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.3 OCC(Br)CBr BBS-00028809 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.4 CC(C)(N)CO BBS-00020842 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.4 CC(C)(O)C#N BBS-00004270 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.5 CC(N)C(=O)O BBS-00003820 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.5 CC(N)C(C)N BBS-00028767 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 CC(O)C(=O)[O-] BBS-00028838 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.5 CC(O)C(=O)[O-] BBS-00038938 [1,1,0,0,0,0|0,0,2]=4 103 B5R0.5 C[C@H](N)C(=O)O BBS-00039166 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.2 C#CCNCC BBS-00016656 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.2 CCCCCBr BBS-00028412 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.2 CCCCON BBS-00029329 [1,1,0,0,0,0|0,0,0]=2 107 B5R0.2 CCCN=C=O BBS-00020505 [1,1,0,0,0,0|0,0,2]=4 108 B5R0.2 CCSCCO BBS-00015661 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.2 COCCCN BBS-00028319 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.2 COCCNN BBS-00024829 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.2 COCCNN BBS-00032972 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.2 OCCCCCl BBS-00028970 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.2 CN(C)CC(O)CN BBS-00021119 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.2 NC[C@H](O)CC(=O)O BBS-00024845 [0,2,0,0,0,0|0,0,1]=3 115 B7R0.3 COCC\C(N)=N\O BBS-00026454 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [0,2,0,0,0,0|0,0,1]=3 117 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.5 NCC[C@H](N)C(=O)O BBS-00029762 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.7 CCNC(C)COC BBS-00037024 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.7 CN(CCO)CCO BBS-00028413 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.7 COCC(N)CCO BBS-00032549 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.7 CSCC(N)CCO BBS-00032900 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.10 COC(=O)C(N)CO BBS-00022913 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.10 COC(=O)C(N)CO BBS-00028911 [0,2,0,0,0,0|0,0,2]=4 125 B7R0.10 COC(C)\C(N)=N\O BBS-00025289 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.10 OC(CS)C(O)CS BBS-00028966 [0,2,0,0,0,0|0,1,0]=3 127 B7R0.11 CC[N+](C)(C)CCO BBS-00033225 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.11 [NH3+]CCC(F)(F)C[NH3+] BBS-00030263 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.12 C#CCC(OC)OC BBS-00029900 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.9 CC(O)CC(C)(C)N BBS-00017067 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.16 CC(C)C(N)C(=O)O BBS-00028075 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.16 CC(C)[C@H](N)C(=O)O BBS-00027540 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.16 CC(O)C(N)C(=O)O BBS-00021069 [0,2,0,0,0,0|0,0,1]=3 134 B7R0.16 CC(O)C(O)C(=O)O BBS-00027358 [0,2,0,0,0,0|0,0,1]=3 135 B7R0.4 CC(C)CCCC#N BBS-00021192 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.4 CC(C)CSCCCl BBS-00015682 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.4 CC(C)NCCC#N BBS-00025521 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.4 CC(C)OCCCN BBS-00028801 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.4 COCCCC(=O)O BBS-00025182 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [0,2,0,0,0,0|2,0,0]=4 142 B5R1.2 CC1CCN1 BBS-00016641 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.3 ClCC1CO1 BBS-00004288 [1,0,0,1,0,0|1,0,0]=3 144 B5R1.3 NCC1CC1 BBS-00020859 [1,0,0,1,0,0|2,0,0]=4 145 B5R1.4 C[C@@H]1C[C@H]1N BBS-00016702 [1,0,0,1,0,0|1,0,0]=3 146 B5R1.5 CC1(N)CC1 BBS-00017204 [1,0,0,1,0,0|1,0,0]=3 147 B5R1.1 C1CCNC1 BBS-00003603 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 BrCC1CCCC1 BBS-00022002 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.1 BrCC1CCCO1 BBS-00028105 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.1 BrCC1CCOC1 BBS-00032899 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.1 CNC1CCSC1 BBS-00033193 [0,1,0,1,0,0|1,1,0]=4 152 B7R1.1 ClCC1CCCO1 BBS-00003854 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.1 NCC1CCCC1 BBS-00024973 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.1 NCC1CCCO1 BBS-00008019 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.1 NNC1CCCC1 BBS-00024826 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.1 NNC1CCSC1 BBS-00021628 [0,1,0,1,0,0|1,1,0]=4 157 B7R1.1 OCC1CCCC1 BBS-00024959 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.1 OCC1CCNC1 BBS-00026121 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.1 ON=C1CCCC1 BBS-00028419 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.2 CC1CCC(C)N1 BBS-00003116 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.3 CC1CCCCN1 BBS-00003594 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.3 CC1CCNCC1 BBS-00003666 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 CC1COCCN1 BBS-00029843 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.3 NC1CCCCC1 BBS-00003664 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.3 NC1CCOCC1 BBS-00017027 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.3 NN1CCOCC1 BBS-00006488 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.3 OC1=NCCNC1 BBS-00028397 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.3 OC1CCOCC1 BBS-00017028 [0,1,0,1,0,0|0,0,0]=2 169 B7R1.3 OC1COCOC1 BBS-00028828 [0,1,0,1,0,0|0,0,0]=2 170 B7R1.4 NC1CON=C1O BBS-00038948 [0,1,0,1,0,0|1,0,1]=4 171 B7R1.4 N[C@@H]1CCC[C@H]1O BBS-00024811 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.4 O=C1OCCC1Br BBS-00015213 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.5 CCCC1CC1N BBS-00020971 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.5 CNCC1CC1C BBS-00017217 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.10 CC1CC(CBr)C1 BBS-00025284 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.10 CC1CC(CO)C1 BBS-00025280 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.22 CC(NN)C1CC1 BBS-00024835 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.22 CC(NN)C1CC1 BBS-00032820 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.16 CC1CC(C)(C)N1 BBS-00016638 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.18 CC(N)C1CCC1 BBS-00032245 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.19 CC(N)C1(C)CC1 BBS-00020980 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.23 CC1(C)CC1C#N BBS-00020996 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.23 CC1(C)CC1CN BBS-00017199 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.23 CC1(C)CC1CO BBS-00017198 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.7 CNCCC1CC1 BBS-00035792 [0,1,0,1,0,0|2,0,0]=4 186 B7R2.13 C1CC2CC2N1 BBS-00026245 [0,0,0,2,0,0|2,0,0]=4 187 B7R2.13 C1CC2OC2C1 BBS-00020831 [0,0,0,2,0,0|1,0,0]=3 188 B7R2.13 C1NCC2CC12 BBS-00016710 [0,0,0,2,0,0|2,0,0]=4 189 B7R2.13 C1OCC2OC12 BBS-00017851 [0,0,0,2,0,0|0,0,0]=2