0 B5R0.1 C=C(C)CCO BB_NC-02269 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=COC(C)=O BB_SC-12396 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.1 CC(=O)CCO BB_SC-06926 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(C)=CCO BB_NC-02261 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)CC=O BB_NC-02289 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CNCC(=O)O BB_NC-02298 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CNCC(N)=O BB_NC-02649 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CSCC(C)=O BB_SC-12665 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 NCCC(=O)O BB_SC-12000 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C#CC(=O)O BB_SC-06516 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C=C(C)C#N BB_SC-06810 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 COC(=N)N BB_SC-07172 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 COC(=O)Cl BB_SC-07075 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 NC(=O)NO BB_SC-07256 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NNC(N)=O BB_SC-07175 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C\C=C\C#N BB_SC-12445 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C\C=C\C=O BB_SC-06898 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,1,0,0,0,0|0,0,3]=4 44 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 C#CCOC(=O)Cl BB_SC-07232 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 C=CCCC(=O)O BB_NC-02314 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.4 C=CCNC(N)=O BB_SC-06494 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 C=CCNC(N)=S BB_SC-06584 [0,1,0,0,0,0|2,1,0]=4 64 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,1,0,0,0,0|2,0,1]=4 69 B6R1.2 BrC1=NC=CS1 BB_SC-04599 [0,0,0,1,0,0|2,1,0]=4 70 B6R1.2 CC1=CC=NN1 BB_SC-03908 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.2 CC1=NC=CN1 BB_SC-06891 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 CN1C=CC=N1 BB_SC-04178 [0,0,0,1,0,0|3,0,0]=4 73 B6R1.2 ClC1=CC=CS1 BB_SC-08899 [0,0,0,1,0,0|1,1,1]=4 74 B6R1.2 NC1=NC=CN1 BB_SC-09635 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 NC1=NC=CS1 BB_SC-10668 [0,0,0,1,0,0|2,1,0]=4 76 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,0,0,1,0,0|1,0,0]=2 80 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,0,0,1,0,0|1,0,2]=4 81 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|1,0,2]=4 82 B3R0.1 C=CC#N BB_SC-05732 [2,0,0,0,0,0|1,0,1]=4 83 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|1,0,1]=4 84 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|1,0,0]=3 85 B3R0.2 CC(=N)N BB_SC-06819 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|0,0,2]=4 88 B5R0.3 CCC(=O)NO BB_SC-06499 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 CNC(=O)NC BB_SC-07191 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.3 COC(=O)CN BB_NC-03070 [1,1,0,0,0,0|0,0,1]=3 91 B5R0.3 COC(=O)CO BB_SC-06427 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.3 COC(=O)CS BB_SC-06606 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.3 COC(=O)NN BB_SC-07168 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.3 O=C(CCl)CCl BB_SC-08807 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,1,0,0,0,0|0,0,1]=3 100 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,2,0,0,0,0|0,0,2]=4 107 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,2,0,0,0,0|0,0,2]=4 108 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,2,0,0,0,0|0,0,2]=4 112 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,2,0,0,0,0|1,0,1]=4 118 B5R1.1 C1=CNC=C1 BB_SC-07205 [1,0,0,1,0,0|1,0,1]=4 119 B5R1.1 C1=CNC=N1 BB_SC-06938 [1,0,0,1,0,0|2,0,0]=4 120 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|0,0,1]=3 121 B5R1.1 C1=CON=C1 BB_SC-08801 [1,0,0,1,0,0|1,0,1]=4 122 B5R1.1 C1=CSC=N1 BB_SC-08800 [1,0,0,1,0,0|1,1,0]=4 123 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 COC1=NC=CS1 BB_SC-12407 [0,1,0,1,0,0|1,1,0]=4 125 B7R1.1 NCC1=CC=CO1 BB_SC-06537 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [0,1,0,1,0,0|0,1,1]=4 128 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 CC1=CNC(C)=N1 BB_SC-07154 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 CC1=NC(N)=NO1 BB_SC-11784 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|0,0,2]=4 135 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,1,0,1,0,0|0,0,2]=4 136 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.2 NC1=NNC(=O)C1 BB_SC-09099 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,1,0,1,0,0|0,0,2]=4 140 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.2 O=C1CNC(=S)N1 BB_SC-12671 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.2 O=C1CNC(=S)S1 BB_SC-06897 [0,1,0,1,0,0|1,1,0]=4 145 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.2 O=C1CSC(=S)N1 BB_SC-12361 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.3 CC1=CC=NC=C1 BB_SC-07024 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.4 CC1=NC=CN1C BB_SC-06893 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 CN1C=CN=C1S BB_SC-01357 [0,1,0,1,0,0|1,1,0]=4 151 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|0,0,2]=4 152 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|0,0,2]=4 153 B7R1.14 O=S1(=O)CC=CC1 BB_SC-05410 [0,1,0,1,0,0|2,0,0]=4