0 B8R0.5 CC(C)OC(=O)CC#N BB_SC-06927 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.5 CCOC(=O)C[N+](=O)[O-] BB_SC-06243 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.5 C\C(=C\C=O)CC(C)C BB_NC-01302 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,0,0,0,0,0|0,0,0]=1 8 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.7 CCCC(=O)CCC BB_SC-06946 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.7 CCOC(=O)CNN BB_SC-02643 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.7 CCOC(C)OCC BB_SC-07086 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.4 C=CCOC(=O)CC(C)=O BB_SC-06915 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.4 CNCCC(=O)NC(C)C BB_SC-06034 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.34 CCOC(=O)CC(=O)CCl BB_SC-06776 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.53 CC(C)CC(=O)CC(C)C BB_SC-06805 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.58 CCOS(=O)(=O)CC(C)C BB_SC-12387 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.41 CC(=O)C1CCOC1=O BB_NC-03242 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,0,0,1,0,0|2,0,0]=3 24 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,0,0,0,1,0|0,0,2]=3 25 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,0,0,0,1,0|1,0,1]=3 27 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,0,0,0,1,0|2,0,0]=3 28 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,0,0,0,1,0|1,0,0]=2 31 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,0,0,0,0,1|1,0,1]=3 32 B6R0.1 C=CC(=O)OCC BB_SC-07096 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.1 CCOC(=O)CBr BB_SC-06646 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.1 CCOC(=O)CCl BB_SC-06777 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.1 CCOC(=O)CS BB_SC-07162 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.1 CCOC(=O)NN BB_SC-07159 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 CNCC(=O)NC BB_NC-02631 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 COC(=O)CC#N BB_SC-06876 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.1 COC(=O)CCBr BB_SC-11223 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 COC(=O)CCN BB_NC-01738 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [2,0,0,0,0,0|0,0,2]=4 42 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [2,0,0,0,0,0|0,0,0]=2 43 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.6 CCCNCCC BB_SC-06961 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.6 CCOCCCN BB_SC-06885 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [1,1,0,0,0,0|0,0,0]=2 51 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.7 CC(C)CNCCCO BB_SC-01146 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.28 CC(C)CNCC(C)O BB_SC-01141 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.1 CCOC(=O)\C=C\CBr BB_SC-05542 [1,1,0,0,0,0|0,0,2]=4 58 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.32 CCOC(=O)C(=O)CC(C)=O BB_SC-03903 [0,1,0,0,0,1|1,0,1]=4 61 B10R0.96 CC(C)\C=C\C(=O)CC(C)C BB_NC-00326 [0,1,0,0,0,1|1,0,1]=4 62 B10R0.6 COCCOC(=O)CC(C)=O BB_SC-06888 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.28 CC(C)(C)OC(=O)NCCN BB_SC-12529 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.44 CC(C)OC(=O)CC(=O)CCl BB_SC-05534 [0,2,0,0,0,0|1,0,1]=4 65 B10R0.2 CCCC(=O)CC(=O)OCC BB_SC-11237 [0,2,0,0,0,0|1,0,1]=4 66 B10R0.2 CCOC(=O)CC(=O)OCC BB_SC-07073 [0,2,0,0,0,0|1,0,1]=4 67 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|0,0,0]=2 68 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,0,0,1,1,0|1,0,0]=3 70 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,0,0,1,1,0|2,0,0]=4 71 B10R1.291 CC(=O)C1(C)CCOC1=O BB_NC-02023 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 BB_SC-05978 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.329 CC1(C)CC(=O)C=C(N)C1 BB_SC-00009 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.329 CC1(C)CC(=O)CC(=O)C1 BB_SC-06488 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.329 CC1=CC(=O)CC(C)(C)C1 BB_NC-00161 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.329 CC1CC(=O)CC(C)(C)C1 BB_SC-06801 [0,1,0,1,0,0|1,0,0]=3 77 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [1,0,0,0,1,0|2,0,0]=4 78 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [1,0,0,0,1,0|1,0,1]=4 79 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [1,0,0,0,1,0|1,0,0]=3 80 B10R0.3 CCOC(=O)CCCC(C)=O BB_SC-05486 [0,0,0,0,0,2|1,0,1]=4