0 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)NC(N)=S BB_SC-06851 [0,0,0,0,0,0|3,1,0]=4 3 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,0,0,0,0|1,2,1]=4 7 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C=C(C)CCO BB_NC-02269 [1,0,0,0,0,0|0,0,3]=4 12 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)=CCO BB_NC-02261 [1,0,0,0,0,0|0,0,1]=2 15 B5R0.1 CC(C)CC=O BB_NC-02289 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|0,0,0]=1 24 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,0,0|0,0,2]=3 36 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,0,0|1,0,2]=4 38 B7R1.2 CC1=CC(C)=NN1 BB_SC-02785 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.2 CC1=CC(N)=NN1 BB_SC-06362 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [0,0,0,1,0,0|1,0,1]=3 46 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.2 NC1=CC(O)=NO1 BB_SC-11092 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,0,0,1,0,0|2,1,0]=4 54 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,0,0,0,1,0|1,0,1]=3 55 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,1,0|0,0,1]=2 56 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,0,0,0,1,0|1,0,1]=3 57 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,1,0|1,0,0]=2 58 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,1,0|2,0,0]=3 59 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,1,0|1,0,1]=3 61 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,1,0|0,0,1]=2 62 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,0,0,1,0|1,0,2]=4 63 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,1,0|2,0,1]=4 64 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,1,0|1,0,1]=3 65 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,1,0|2,0,0]=3 66 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [0,0,0,0,1,0|2,1,0]=4 67 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [0,0,0,0,1,0|1,2,0]=4 68 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,1,0|1,0,1]=3 70 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [0,0,0,0,1,0|3,0,0]=4 71 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,0,0,0,1,0|3,0,0]=4 72 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,0,0,0,1,0|2,0,1]=4 73 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,1|1,0,1]=3 74 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,1|1,0,1]=3 75 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,0,1|2,0,1]=4 76 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,0,0,0,0,1|2,0,0]=3 77 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,1|1,0,2]=4 78 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,1|0,0,2]=3 79 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [0,0,0,0,0,1|2,0,1]=4 80 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,0,1|2,0,1]=4 81 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [0,0,0,0,0,1|2,0,1]=4 82 B4R0.1 C#CC(=O)O BB_SC-06516 [2,0,0,0,0,0|0,0,2]=4 83 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|0,0,1]=3 85 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 C\C(N)=N\O BB_SC-09052 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 CC=CCO BB_NC-02275 [2,0,0,0,0,0|0,0,1]=3 94 B4R0.2 C\C=C\C#N BB_SC-12445 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 C\C=C\C=O BB_SC-06898 [2,0,0,0,0,0|0,0,0]=2 96 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [1,1,0,0,0,0|0,0,2]=4 98 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [1,1,0,0,0,0|0,0,0]=2 100 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,1,0,0,0,0|0,0,2]=4 101 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,1,0,0,0,0|0,0,0]=2 102 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,1,0,0,0,0|0,0,2]=4 103 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [0,1,0,0,1,0|1,0,1]=4 104 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [0,1,0,0,1,0|0,0,1]=3 105 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,1|1,0,1]=4 106 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,1,0,0,0,1|1,0,1]=4 107 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,1,0,0,0,1|1,0,1]=4 108 B8R0.23 C=C(CC(=O)O)C(=O)O BB_NC-02310 [0,1,0,0,0,1|2,0,0]=4 109 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,1,0,0,0,1|1,0,1]=4 110 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,2,0,0,0,0|0,0,2]=4 111 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,2,0,0,0,0|1,0,1]=4 112 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,2,0,0,0,0|1,0,1]=4 113 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,2,0,0,0,0|1,0,1]=4 115 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,2,0,0,0,0|0,0,2]=4 116 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,2,0,0,0,0|0,0,2]=4 117 B6R1.2 CC1=CC=NN1 BB_SC-03908 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 NC1=NOC=C1 BB_SC-12691 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [1,0,0,1,0,0|0,0,2]=4 123 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,1,0,1|1,0,1]=4 124 B8R1.18 CC1=CC(=O)OC1=O BB_SC-06526 [0,1,0,1,0,0|0,0,1]=3 125 B8R1.18 CC1=CC(C)=NN1C BB_SC-04032 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.18 CC1=CC(N)=NN1C BB_SC-10134 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.50 CC1=C(Br)C(O)=NO1 BB_SC-10989 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.50 O=C1OCC(O)=C1Br BB_SC-05637 [0,1,0,1,0,0|1,0,0]=3 131 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,2|1,0,0]=3 132 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,2|1,0,1]=4