0 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|0,0,0]=1 8 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.51 NC1C=CS(=O)(=O)C1 BB_SC-01743 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.51 O=S1(=O)C=CC(Cl)C1 BB_SC-03398 [0,0,0,1,0,0|2,0,1]=4 14 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,1,0|1,0,1]=3 15 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,1,0|1,0,1]=3 16 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,1,0|1,0,1]=3 17 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,1,0|1,0,1]=3 18 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,1,0|0,0,1]=2 19 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [0,0,0,0,1,0|1,2,0]=4 20 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,1,0|1,0,1]=3 21 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,1,0|1,0,1]=3 22 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,1|1,0,2]=4 23 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,1|1,0,2]=4 24 B5R0.1 CC(C)=CCO BB_NC-02261 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|0,0,1]=3 26 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,0]=2 31 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|0,0,0]=2 38 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.5 CCOC(=O)C(=O)Cl BB_SC-06434 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(N)=O BB_SC-07128 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,1,0|1,0,1]=4 44 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,1,0|0,0,1]=3 45 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,1,0|1,0,1]=4 46 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,1,0|1,0,1]=4 47 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,1|0,0,2]=4 48 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,1,0,0,0,1|1,0,1]=4 49 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,2,0,0,0,0|0,0,2]=4 50 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,2]=4 51 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.14 O=S1(=O)C=CCC1 BB_SC-04484 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|0,0,2]=4 55 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,0,0,1,0,1|1,0,1]=4 56 B9R1.35 CN1C=C(C(=O)O)C=N1 BB_SC-06364 [0,0,0,1,0,1|1,0,1]=4 57 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [0,0,0,1,0,1|2,0,0]=4 58 B9R1.69 CC1CNC(=O)NC1=O BB_SC-01351 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.38 CC1(C)NC(=O)NC1=O BB_SC-06899 [0,1,0,1,0,0|2,0,0]=4 61 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,2,0|0,0,2]=4 62 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,2,0|1,0,1]=4 63 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,0,0,0,2,0|2,0,0]=4 64 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,2,0|1,0,0]=3 65 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,2,0|0,0,0]=2 66 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [0,0,0,0,2,0|1,0,1]=4 67 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,0,0,0,2,0|2,0,0]=4 68 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,2,0|1,0,0]=3 69 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,2,0|2,0,0]=4 70 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,0,0,0,2,0|2,0,0]=4 71 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,2,0|1,0,0]=3 72 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,0,0,0,2,0|2,0,0]=4