0 B4R0.1 C#CC(=O)O BB_SC-06516 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)O BB_SC-06602 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=C(C)C#N BB_SC-06810 [0,0,0,0,0,0|1,0,3]=4 3 B4R0.1 CC(=O)CCl BB_SC-12393 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)CO BB_SC-06929 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 CC(C)C=O BB_SC-11515 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(C)CBr BB_SC-12386 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(C)CI BB_SC-06912 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(N)CN BB_SC-06623 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 CC(O)CCl BB_SC-06971 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(O)CO BB_SC-07047 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CCC(C)=O BB_SC-06989 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 CCC(C)N BB_SC-06740 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CCC(C)O BB_SC-07031 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 NC(=O)CCl BB_SC-06849 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 NNC(N)=O BB_SC-07175 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 O=C(O)CCl BB_SC-12338 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 O=C(O)CI BB_SC-06475 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,0,0,0,0,0|0,0,0]=0 23 B3R0.1 BrCCBr BB_SC-07189 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 C#CCN BB_SC-08803 [1,0,0,0,0,0|0,0,2]=3 25 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|1,0,1]=3 26 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 ClCCBr BB_SC-06512 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 N#CCCl BB_SC-10991 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.1 N#CCN BB_SC-06479 [1,0,0,0,0,0|1,0,1]=3 32 B3R0.1 NCCBr BB_SC-12695 [1,0,0,0,0,0|1,0,0]=2 33 B3R0.1 NCCCl BB_SC-07224 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|1,0,0]=2 35 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|1,0,0]=2 36 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|1,0,0]=2 37 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|1,0,0]=2 38 B3R0.1 SCCS BB_SC-06621 [1,0,0,0,0,0|1,1,0]=3 39 B3R0.2 CC(=N)N BB_SC-06819 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.2 CC(C)Br BB_SC-06848 [1,0,0,0,0,0|1,0,0]=2 41 B3R0.2 CC(C)I BB_SC-06934 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.2 NC(=S)[S-] BB_SC-11380 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.1 C#CCN(C)C BB_SC-06626 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|1,0,2]=4 46 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CC(C)CC=O BB_NC-02289 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(C)CCBr BB_SC-07141 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 CC(C)CCI BB_SC-06842 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.1 CC(C)CCS BB_SC-06570 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 CCCC(C)O BB_SC-07025 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.1 CN(C)CCCl BB_SC-07254 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.1 CN(C)CCN BB_SC-10968 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|1,0,1]=3 57 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 COC(=O)CN BB_NC-03070 [0,1,0,0,0,0|0,0,2]=3 67 B5R0.3 COC(=O)CO BB_SC-06427 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.3 COC(=O)CS BB_SC-06606 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.3 COC(=O)NN BB_SC-07168 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.3 NCC(O)CN BB_SC-06694 [0,1,0,0,0,0|0,0,0]=1 71 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.3 OCC(O)CCl BB_SC-06682 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.4 C#CC(C)(C)O BB_SC-06658 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.4 CC(C)(C)NN BB_SC-11994 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.4 CC(C)(N)C#N BB_SC-06521 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.4 CC(C)(N)CO BB_SC-06588 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.4 CC(C)(O)C#N BB_SC-06536 [0,1,0,0,0,0|0,0,2]=3 78 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [0,1,0,0,0,0|1,1,0]=3 79 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.4 NOS(=O)(=O)O BB_SC-04662 [0,1,0,0,0,0|3,0,0]=4 81 B5R0.4 OCC(F)(F)F BB_SC-04010 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,1,0,0,0,0|0,0,1]=2 88 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,1,0,0,0,0|1,1,1]=4 89 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,1,0,0,0,0|2,0,1]=4 94 B5R1.3 BrCC1CC1 BB_SC-04711 [0,0,0,1,0,0|2,0,0]=3 95 B5R1.3 C(=O)C1CC1 BB_SC-11514 [0,0,0,1,0,0|2,0,1]=4 96 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,1,0,0|1,0,0]=2 97 B5R1.3 ClCC1CO1 BB_SC-06806 [0,0,0,1,0,0|1,0,0]=2 98 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [0,0,0,1,0,0|1,0,0]=2 99 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [0,0,0,1,0,0|1,0,0]=2 100 B5R1.3 NCC1CC1 BB_SC-04639 [0,0,0,1,0,0|1,0,0]=2 101 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,0]=3 102 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|1,0,0]=3 103 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|1,0,0]=3 104 B2R0.1 ICI BB_SC-06852 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.2 BrCCCBr BB_SC-06684 [1,1,0,0,0,0|1,0,0]=3 106 B4R0.2 CC=CCO BB_NC-02275 [1,1,0,0,0,0|1,0,1]=4 107 B4R0.2 CCCCCl BB_SC-07054 [1,1,0,0,0,0|1,0,0]=3 108 B4R0.2 CCCCI BB_SC-06943 [1,1,0,0,0,0|1,0,0]=3 109 B4R0.2 CCCCN BB_SC-06761 [1,1,0,0,0,0|0,0,0]=2 110 B4R0.2 CCN=C=S BB_SC-06545 [1,1,0,0,0,0|1,0,1]=4 111 B4R0.2 CNCCN BB_NC-02991 [1,1,0,0,0,0|0,0,0]=2 112 B4R0.2 CNCCO BB_SC-06928 [1,1,0,0,0,0|0,0,0]=2 113 B4R0.2 COCCBr BB_SC-07068 [1,1,0,0,0,0|1,0,0]=3 114 B4R0.2 COCCCl BB_SC-07014 [1,1,0,0,0,0|1,0,0]=3 115 B4R0.2 N#CCCBr BB_SC-09411 [1,1,0,0,0,0|0,0,2]=4 116 B4R0.2 N#CCCO BB_SC-02742 [1,1,0,0,0,0|0,0,1]=3 117 B4R0.2 NCCCBr BB_SC-06502 [1,1,0,0,0,0|0,0,0]=2 118 B4R0.2 NCCCCl BB_SC-07208 [1,1,0,0,0,0|0,0,0]=2 119 B4R0.2 NCCCN BB_NC-02306 [1,1,0,0,0,0|0,0,0]=2 120 B4R0.2 NNCCO BB_SC-09930 [1,1,0,0,0,0|0,0,0]=2 121 B4R0.2 OCCCBr BB_SC-07264 [1,1,0,0,0,0|1,0,0]=3 122 B4R0.3 CC(C)(C)[O-] BB_SC-07079 [1,1,0,0,0,0|0,0,1]=3 123 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,2,0,0,0,0|1,1,0]=4 124 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|0,0,2]=4 125 B6R0.1 CNCC(O)CO BB_SC-04061 [0,2,0,0,0,0|0,0,0]=2 126 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|0,0,2]=4 127 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.2 CN(C)CN(C)C BB_SC-09410 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,2,0,0,0,0|0,0,2]=4 137 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,2,0,0,0,0|0,0,2]=4 138 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,2,0,0,0,0|1,0,1]=4 140 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|0,0,2]=4 141 B6R0.4 CC(C)CN=C=S BB_NC-02792 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.4 CN(C)CCCN BB_SC-06473 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.4 NCCCC(=O)O BB_NC-02785 [0,2,0,0,0,0|1,0,1]=4 145 B6R0.8 CC(N)(CO)CO BB_SC-06454 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.8 O=P(O)(CCl)CCl BB_SC-01543 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.9 COC(CCl)OC BB_SC-07093 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.9 COC(CN)OC BB_SC-06731 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [0,2,0,0,0,0|1,0,1]=4 150 B4R1.2 NC1CC1 BB_SC-07203 [1,0,0,1,0,0|0,0,0]=2 151 B6R1.2 NC1CCCC1 BB_SC-12557 [0,1,0,1,0,0|2,0,0]=4 152 B6R1.3 COCC1CO1 BB_SC-09489 [0,1,0,1,0,0|1,0,0]=3