0 B3R0.1 BrCCBr BB_SC-07189 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 C#CCN BB_SC-08803 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 C#CCO BB_SC-06540 [0,0,0,0,0,0|0,1,2]=3 3 B3R0.1 C=CC#N BB_SC-05732 [0,0,0,0,0,0|1,0,3]=4 4 B3R0.1 CCCI BB_SC-06937 [0,0,0,0,0,0|1,0,0]=1 5 B3R0.1 CN=C=S BB_SC-05863 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 CNC=O BB_SC-06939 [0,0,0,0,0,0|1,1,1]=3 7 B3R0.1 ClCCBr BB_SC-06512 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 N#CCCl BB_SC-10991 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.1 N#CCN BB_SC-06479 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.1 NCCBr BB_SC-12695 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 NCCCl BB_SC-07224 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.1 O=CC=O BB_SC-07204 [0,0,0,0,0,0|1,1,2]=4 13 B3R0.1 OCCBr BB_SC-07017 [0,0,0,0,0,0|1,1,0]=2 14 B3R0.1 OCCCl BB_SC-07062 [0,0,0,0,0,0|1,1,0]=2 15 B3R0.1 OCCF BB_SC-00430 [0,0,0,0,0,0|1,1,0]=2 16 B3R0.1 OCCI BB_SC-04664 [0,0,0,0,0,0|1,1,0]=2 17 B3R0.1 SCCS BB_SC-06621 [0,0,0,0,0,0|1,0,0]=1 18 B2R0.1 CCI BB_SC-11853 [1,0,0,0,0,0|1,0,0]=2 19 B2R0.1 CNN BB_SC-12360 [1,0,0,0,0,0|2,0,0]=3 20 B2R0.1 CON BB_SC-06505 [1,0,0,0,0,0|2,0,0]=3 21 B2R0.1 ICI BB_SC-06852 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C#CC(C)O BB_SC-06602 [0,1,0,0,0,0|1,0,1]=3 23 B4R0.1 C=C(C)C#N BB_SC-06810 [0,1,0,0,0,0|1,0,2]=4 24 B4R0.1 CC(=O)CCl BB_SC-12393 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)CO BB_SC-06929 [0,1,0,0,0,0|0,1,1]=3 26 B4R0.1 CC(C)C=O BB_SC-11515 [0,1,0,0,0,0|0,1,1]=3 27 B4R0.1 CC(C)CBr BB_SC-12386 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 CC(C)CI BB_SC-06912 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 CC(N)CN BB_SC-06623 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 CC(O)CCl BB_SC-06971 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 CC(O)CO BB_SC-07047 [0,1,0,0,0,0|0,1,0]=2 32 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,1,0,0,0,0|0,1,1]=3 33 B4R0.1 CCC(C)=O BB_SC-06989 [0,1,0,0,0,0|0,1,1]=3 34 B4R0.1 CCC(C)N BB_SC-06740 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 CCC(C)O BB_SC-07031 [0,1,0,0,0,0|0,1,0]=2 36 B4R0.1 CNC(=N)N BB_SC-06585 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 CNC(N)=O BB_SC-07198 [0,1,0,0,0,0|1,1,1]=4 38 B4R0.1 COC(=N)N BB_SC-07172 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 COC(=O)Cl BB_SC-07075 [0,1,0,0,0,0|1,1,1]=4 40 B4R0.1 COC(N)=O BB_SC-06903 [0,1,0,0,0,0|1,1,1]=4 41 B4R0.1 CSC(=N)N BB_SC-07197 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,1,0,0,0,0|1,1,1]=4 43 B4R0.1 NC(=O)CCl BB_SC-06849 [0,1,0,0,0,0|1,1,1]=4 44 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,1,0,0,0,0|1,1,1]=4 45 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,1,0,0,0,0|1,1,1]=4 46 B4R0.1 O=C(O)CCl BB_SC-12338 [0,1,0,0,0,0|1,1,1]=4 47 B4R0.1 O=C(O)CI BB_SC-06475 [0,1,0,0,0,0|1,1,1]=4 48 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,1,0,0,0,0|1,0,0]=2 49 B4R0.2 BrCCCBr BB_SC-06684 [0,1,0,0,0,0|1,0,0]=2 50 B4R0.2 C=NCC#N BB_SC-06443 [0,1,0,0,0,0|1,0,2]=4 51 B4R0.2 CC=CCO BB_NC-02275 [0,1,0,0,0,0|0,1,1]=3 52 B4R0.2 CCCCCl BB_SC-07054 [0,1,0,0,0,0|1,0,0]=2 53 B4R0.2 CCCCI BB_SC-06943 [0,1,0,0,0,0|1,0,0]=2 54 B4R0.2 CCCCN BB_SC-06761 [0,1,0,0,0,0|1,0,0]=2 55 B4R0.2 CCN=C=S BB_SC-06545 [0,1,0,0,0,0|0,0,2]=3 56 B4R0.2 CNCCN BB_NC-02991 [0,1,0,0,0,0|1,0,0]=2 57 B4R0.2 CNCCO BB_SC-06928 [0,1,0,0,0,0|0,1,0]=2 58 B4R0.2 COCCBr BB_SC-07068 [0,1,0,0,0,0|1,0,0]=2 59 B4R0.2 COCCCl BB_SC-07014 [0,1,0,0,0,0|1,0,0]=2 60 B4R0.2 C\C=C\C#N BB_SC-12445 [0,1,0,0,0,0|1,0,2]=4 61 B4R0.2 C\C=C\C=O BB_SC-06898 [0,1,0,0,0,0|0,1,2]=4 62 B4R0.2 N#CCC#N BB_SC-12704 [0,1,0,0,0,0|1,0,2]=4 63 B4R0.2 N#CCCBr BB_SC-09411 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.2 N#CCCO BB_SC-02742 [0,1,0,0,0,0|0,1,1]=3 65 B4R0.2 N#CSCCl BB_SC-05540 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.2 NCCCBr BB_SC-06502 [0,1,0,0,0,0|1,0,0]=2 67 B4R0.2 NCCCCl BB_SC-07208 [0,1,0,0,0,0|1,0,0]=2 68 B4R0.2 NCCCN BB_NC-02306 [0,1,0,0,0,0|1,0,0]=2 69 B4R0.2 NNCCO BB_SC-09930 [0,1,0,0,0,0|1,1,0]=3 70 B4R0.2 OCCCBr BB_SC-07264 [0,1,0,0,0,0|0,1,0]=2 71 B4R1.2 NC1CC1 BB_SC-07203 [0,0,0,1,0,0|1,0,0]=2 72 B1R0.1 CI BB_SC-11854 [2,0,0,0,0,0|1,0,0]=3 73 B1R0.1 C[S-] BB_SC-06572 [2,0,0,0,0,0|0,0,1]=3 74 B1R0.1 [C-]#[O+] BB_SC-07223 [2,0,0,0,0,0|0,1,1]=4 75 B3R0.2 CC(=N)N BB_SC-06819 [1,1,0,0,0,0|1,0,1]=4 76 B3R0.2 CC(C)Br BB_SC-06848 [1,1,0,0,0,0|0,0,0]=2 77 B3R0.2 CC(C)I BB_SC-06934 [1,1,0,0,0,0|0,0,0]=2 78 B5R0.1 C#CCN(C)C BB_SC-06626 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.1 C=C(C)CCO BB_NC-02269 [0,2,0,0,0,0|0,1,0]=3 80 B5R0.1 CC(=O)CCO BB_SC-06926 [0,2,0,0,0,0|0,1,0]=3 81 B5R0.1 CC(C)=CCO BB_NC-02261 [0,2,0,0,0,0|0,1,1]=4 82 B5R0.1 CC(C)CC=O BB_NC-02289 [0,2,0,0,0,0|0,1,0]=3 83 B5R0.1 CC(C)CCBr BB_SC-07141 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.1 CC(C)CCI BB_SC-06842 [0,2,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(C)CCS BB_SC-06570 [0,2,0,0,0,0|0,0,0]=2 86 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,2,0,0,0,0|0,0,2]=4 87 B5R0.1 CC(O)CCO BB_SC-11995 [0,2,0,0,0,0|0,1,0]=3 88 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,2,0,0,0,0|0,1,0]=3 89 B5R0.1 CCCC(C)O BB_SC-07025 [0,2,0,0,0,0|0,1,0]=3 90 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [0,2,0,0,0,0|0,1,0]=3 91 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,2,0,0,0,0|0,1,1]=4 92 B5R0.1 CN(C)CCCl BB_SC-07254 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.1 CN(C)CCN BB_SC-10968 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.1 CNCC(=O)O BB_NC-02298 [0,2,0,0,0,0|0,1,1]=4 95 B5R0.1 CNCC(N)=O BB_NC-02649 [0,2,0,0,0,0|0,1,1]=4 96 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,2,0,0,0,0|0,1,1]=4 97 B5R0.1 CSCC(C)=O BB_SC-12665 [0,2,0,0,0,0|0,0,1]=3 98 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,2,0,0,0,0|0,1,1]=4 99 B5R0.1 NCCC(=O)O BB_SC-12000 [0,2,0,0,0,0|0,1,1]=4 100 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,2,0,0,0,0|0,1,1]=4 101 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,2,0,0,0,0|0,1,1]=4 102 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,2,0,0,0,0|0,1,1]=4 103 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,2,0,0,0,0|0,1,1]=4 104 B5R0.3 CCC(=O)CC BB_SC-06948 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.3 CCC(=O)NO BB_SC-06499 [0,2,0,0,0,0|0,1,1]=4 106 B5R0.3 CCC(N)CO BB_SC-06587 [0,2,0,0,0,0|0,1,0]=3 107 B5R0.3 COC(=O)CN BB_NC-03070 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.3 COC(=O)CO BB_SC-06427 [0,2,0,0,0,0|0,1,1]=4 109 B5R0.3 COC(=O)CS BB_SC-06606 [0,2,0,0,0,0|0,0,1]=3 110 B5R0.3 NCC(O)CN BB_SC-06694 [0,2,0,0,0,0|1,0,0]=3 111 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,2,0,0,0,0|1,0,1]=4 112 B5R0.3 OCC(O)CCl BB_SC-06682 [0,2,0,0,0,0|0,1,0]=3 113 B5R0.4 C#CC(C)(C)O BB_SC-06658 [0,2,0,0,0,0|1,0,1]=4 114 B5R0.4 CC(C)(C)NN BB_SC-11994 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.4 CC(C)(N)C#N BB_SC-06521 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.4 CC(C)(N)CO BB_SC-06588 [0,2,0,0,0,0|0,1,0]=3 117 B5R0.4 CC(C)(O)C#N BB_SC-06536 [0,2,0,0,0,0|1,0,1]=4 118 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [0,2,0,0,0,0|1,1,0]=4 119 B5R0.4 OCC(F)(F)F BB_SC-04010 [0,2,0,0,0,0|1,1,0]=4 120 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,2,0,0,0,0|0,1,1]=4 122 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,2,0,0,0,0|0,1,1]=4 123 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,2,0,0,0,0|1,1,0]=4 124 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,2,0,0,0,0|0,1,1]=4 125 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,2,0,0,0,0|0,1,1]=4 126 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,2,0,0,0,0|0,1,1]=4 127 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,2,0,0,0,0|0,1,1]=4 128 B5R0.2 BrCCCCBr BB_SC-06730 [0,2,0,0,0,0|1,0,0]=3 129 B5R0.2 CCCCC=O BB_NC-02285 [0,2,0,0,0,0|0,1,0]=3 130 B5R0.2 CCCCCN BB_SC-06799 [0,2,0,0,0,0|1,0,0]=3 131 B5R0.2 CCNCCO BB_SC-07158 [0,2,0,0,0,0|0,1,0]=3 132 B5R0.2 CCOCCBr BB_SC-07261 [0,2,0,0,0,0|1,0,0]=3 133 B5R0.2 CNCCC#N BB_SC-07065 [0,2,0,0,0,0|1,0,0]=3 134 B5R0.2 CNCCCN BB_SC-07066 [0,2,0,0,0,0|1,0,0]=3 135 B5R0.2 COCCCN BB_SC-06753 [0,2,0,0,0,0|0,1,0]=3 136 B5R0.2 N#CCCC#N BB_SC-05735 [0,2,0,0,0,0|1,0,1]=4 137 B5R0.2 NCCCCN BB_NC-02221 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.2 O=C=NCCCl BB_SC-04063 [0,2,0,0,0,0|0,1,1]=4 139 B5R1.3 BrCC1CC1 BB_SC-04711 [0,1,0,1,0,0|1,0,0]=3 140 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,1,0,1,0,0|0,1,0]=3 141 B5R1.3 CCC1CO1 BB_SC-07230 [0,1,0,1,0,0|0,1,0]=3 142 B5R1.3 ClCC1CO1 BB_SC-06806 [0,1,0,1,0,0|0,1,0]=3 143 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [0,1,0,1,0,0|0,1,0]=3 144 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [0,1,0,1,0,0|0,1,0]=3 145 B5R1.3 NCC1CC1 BB_SC-04639 [0,1,0,1,0,0|1,0,0]=3 146 B5R1.1 C1=COCC1 BB_SC-06597 [0,1,0,1,0,0|0,1,1]=4