0 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.1 C=CC(=O)OCC BB_SC-07096 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCI BB_SC-07033 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCN BB_SC-05552 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCCCOC=O BB_SC-07045 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.3 CCOC(=O)\C(Cl)=N\O BB_SC-03909 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,0|0,0,1]=2 29 B8R0.5 CCOC(=O)C[N+](=O)[O-] BB_SC-06243 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.22 C=CC(OCC)OCC BB_SC-06715 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.22 CCOC(CBr)OCC BB_SC-07202 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.30 CCOP(=S)(S)OCC BB_SC-06528 [0,1,0,0,0,0|2,1,0]=4 33 B8R0.30 CCOP(=S)([S-])OCC BB_SC-06460 [0,1,0,0,0,0|2,1,0]=4 34 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.4 CC1CNCC(C)O1 BB_SC-12705 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|0,0,0]=1 40 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,2]=4 52 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 CCNCCO BB_SC-07158 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.2 COCCCN BB_SC-06753 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.3 C=CC(=O)OC BB_SC-06906 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.3 CCC(=O)CC BB_SC-06948 [2,0,0,0,0,0|0,0,0]=2 65 B5R0.3 CCC(=O)NO BB_SC-06499 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CNC(=O)NC BB_SC-07191 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 COC(=O)CN BB_NC-03070 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 COC(=O)CO BB_SC-06427 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.3 COC(=O)CS BB_SC-06606 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.3 COC(=O)NN BB_SC-07168 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 O=C(CCl)CCl BB_SC-08807 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|0,0,0]=2 77 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|0,0,0]=2 80 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,1,0,0,0,0|0,0,2]=4 81 B7R0.3 NNC(=O)CCCO BB_SC-03913 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [1,1,0,0,0,0|0,0,1]=3 83 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|0,0,1]=3 85 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [1,1,0,0,0,0|0,0,0]=2 89 B7R0.10 COC(=O)C(=O)OC BB_SC-07155 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.1 CCCCCCCI BB_SC-09408 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,2,0,0,0,0|0,0,2]=4 93 B9R0.4 CNCCC(=O)NC(C)C BB_SC-06034 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.18 CCCCC(=O)CCCC BB_SC-00140 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.34 CCOC(=O)CC(=O)CCl BB_SC-06776 [0,2,0,0,0,0|0,0,1]=3 96 B9R0.35 CCOC(=O)C(=O)OCC BB_SC-06837 [0,2,0,0,0,0|0,0,1]=3 97 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|0,0,0]=2 98 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,2,0,0,0,0|0,0,1]=3 99 B9R0.53 CC(C)CC(=O)CC(C)C BB_SC-06805 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.58 CCOS(=O)(=O)CC(C)C BB_SC-12387 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.15 CCOC(OCC)C(N)=O BB_SC-07149 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.59 CCOP(=O)(C#N)OCC BB_SC-05496 [0,2,0,0,0,0|2,0,0]=4 103 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,0]=2 104 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.3 NN1CCCCC1 BB_SC-04637 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|0,0,2]=4 108 B7R1.3 O=C1CCCCN1 BB_SC-06941 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.3 O=C1CCNCC1 BB_SC-06576 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 O=C1CCSCC1 BB_SC-06397 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 O=C1CNCCN1 BB_SC-04934 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 OC1CCCCC1 BB_SC-07055 [1,0,0,1,0,0|0,0,2]=4 114 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,0,0,1,0,0|1,1,0]=4 116 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.33 NCCN1CCCC1=O BB_SC-10498 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.33 O=C1CCCN1CCCl BB_SC-05470 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,1,0,0|0,0,1]=3 124 B9R1.41 CC(=O)C1CCOC1=O BB_NC-03242 [0,1,0,1,0,0|0,0,1]=3 125 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,1,0,1,0,0|2,0,0]=4