0 B4R0.1 C#CC(=O)O BB_SC-06516 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(C)O BB_SC-06602 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(C)C#N BB_SC-06810 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 CC(=O)CCl BB_SC-12393 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)CO BB_SC-06929 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(C)C=O BB_SC-11515 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(C)CBr BB_SC-12386 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(C)CI BB_SC-06912 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(N)CN BB_SC-06623 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(O)CCl BB_SC-06971 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 CC(O)CO BB_SC-07047 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 CCC(C)=O BB_SC-06989 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CCC(C)N BB_SC-06740 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CCC(C)O BB_SC-07031 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 CNC(=N)N BB_SC-06585 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 CNC(N)=O BB_SC-07198 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 COC(=N)N BB_SC-07172 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 COC(=O)Cl BB_SC-07075 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 COC(N)=O BB_SC-06903 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CSC(=N)N BB_SC-07197 [0,0,0,0,0,0|3,1,0]=4 21 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 NC(=O)CCl BB_SC-06849 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 NC(=O)NO BB_SC-07256 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 NNC(N)=O BB_SC-07175 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 O=C(O)CCl BB_SC-12338 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 O=C(O)CI BB_SC-06475 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,0,0,0,0,0|2,0,2]=4 30 B3R0.1 C#CCO BB_SC-06540 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.1 C=CC#N BB_SC-05732 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 CCCI BB_SC-06937 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 CN=C=S BB_SC-05863 [1,0,0,0,0,0|2,1,0]=4 34 B3R0.1 CNC=O BB_SC-06939 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 O=CC=O BB_SC-07204 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 OCCBr BB_SC-07017 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 OCCCl BB_SC-07062 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 OCCF BB_SC-00430 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 OCCI BB_SC-04664 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 CC(=N)N BB_SC-06819 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.2 CC(C)Br BB_SC-06848 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.2 CC(C)I BB_SC-06934 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.2 NC(=S)[S-] BB_SC-11380 [1,0,0,0,0,0|1,2,0]=4 44 B5R0.1 C=C(C)CCO BB_NC-02269 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CC(=O)CCO BB_SC-06926 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.1 CC(C)=CCO BB_NC-02261 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(O)CCO BB_SC-11995 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CNCC(=O)O BB_NC-02298 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.1 CNCC(N)=O BB_NC-02649 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 CSCC(C)=O BB_SC-12665 [0,1,0,0,0,0|1,1,0]=3 55 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 NCCC(=O)O BB_SC-12000 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.3 CCC(=O)CC BB_SC-06948 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 CCC(=O)NO BB_SC-06499 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.3 CCC(N)CO BB_SC-06587 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.3 CNC(=O)NC BB_SC-07191 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 COC(=O)CN BB_NC-03070 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.3 COC(=O)CO BB_SC-06427 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.3 COC(=O)CS BB_SC-06606 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.3 COC(=O)NN BB_SC-07168 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.3 OCC(O)CCl BB_SC-06682 [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|2,0,1]=4 77 B5R0.4 NOS(=O)(=O)O BB_SC-04662 [0,1,0,0,0,0|3,0,0]=4 78 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,1,0,0,0,0|1,1,1]=4 87 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,1,0,0,0,0|3,0,0]=4 94 B2R0.1 CCI BB_SC-11853 [2,0,0,0,0,0|1,0,1]=4 95 B2R0.1 CNN BB_SC-12360 [2,0,0,0,0,0|2,0,0]=4 96 B2R0.1 CON BB_SC-06505 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 CC=CCO BB_NC-02275 [1,1,0,0,0,0|1,0,0]=3 98 B4R0.2 CNCCO BB_SC-06928 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.2 COCCBr BB_SC-07068 [1,1,0,0,0,0|1,0,1]=4 100 B4R0.2 COCCCl BB_SC-07014 [1,1,0,0,0,0|1,0,1]=4 101 B4R0.2 C\C=C\C#N BB_SC-12445 [1,1,0,0,0,0|2,0,0]=4 102 B4R0.2 C\C=C\C=O BB_SC-06898 [1,1,0,0,0,0|1,0,1]=4 103 B4R0.2 OCCCBr BB_SC-07264 [1,1,0,0,0,0|1,0,1]=4 104 B4R0.3 O=S(=O)(O)O BB_SC-06493 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.1 COC(=O)CCN BB_NC-01738 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.1 N#CCC(=O)NN BB_SC-07187 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,2,0,0,0,0|1,1,0]=4 118 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.8 COS(=O)(=O)OC BB_SC-11852 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.7 CC(=O)C(F)(F)F BB_SC-06519 [0,2,0,0,0,0|2,0,0]=4 132 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,1,0,1,0,0|2,0,0]=4 133 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,1,0,1,0,0|1,1,0]=4 134 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,1,0,0|1,0,0]=3 135 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,1,0,1,0,0|1,0,1]=4 136 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,1,0,1,0,0|1,0,0]=3 137 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,1,0,1,0,0|2,0,0]=4