0 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,0,0,0,0,0|0,0,0]=1 10 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,1,0,0,0,0|0,0,1]=2 16 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.24 COC(=O)C#CC(=O)OC BB_SC-12615 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,1,0,0,0,0|0,0,0]=1 19 B9R0.48 COCC(=O)NCC(=O)O BB_SC-10566 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,1,0,0|3,0,0]=4 22 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,0,0,0,1,0|0,0,0]=1 23 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [0,0,0,0,1,0|1,0,1]=3 24 B7R0.2 COC(=O)\C=C(/C)N BB_SC-05576 [0,0,0,0,1,0|1,0,1]=3 25 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,0,0,0,0,1|1,0,1]=3 26 B6R0.1 CNCC(=O)NC BB_NC-02631 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.1 COC(=O)CC#N BB_SC-06876 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.1 COC(=O)CCBr BB_SC-11223 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.1 COC(=O)CCN BB_NC-01738 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|0,0,1]=3 31 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|0,0,1]=3 34 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.1 CCOC(=O)CCCCl BB_SC-07192 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.1 CCOC(=O)CN=C=O BB_SC-09382 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.6 COC(=O)CCN=C=O BB_NC-02138 [1,1,0,0,0,0|0,0,1]=3 39 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.23 C=C(CC(=O)O)C(=O)O BB_NC-02310 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [1,1,0,0,0,0|1,0,0]=3 49 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,1,0,0,1,0|1,0,1]=4 50 B8R0.16 COC(CC(C)=O)OC BB_SC-06952 [0,1,0,0,1,0|0,0,2]=4 51 B10R0.3 CCOC(=O)CCCC(C)=O BB_SC-05486 [0,1,0,0,0,1|0,0,0]=2 52 B10R0.3 COCC(=O)NCCC(=O)O BB_SC-10567 [0,1,0,0,0,1|1,0,0]=3 53 B10R0.3 NCCC(=O)NCCC(=O)O BB_NC-01488 [0,1,0,0,0,1|2,0,0]=4 54 B10R0.59 COC(=O)CCCC(=O)OC BB_SC-07153 [0,1,0,0,0,1|0,0,0]=2 55 B10R0.59 COC(=O)\C=C\CC(=O)OC BB_SC-07228 [0,1,0,0,0,1|0,0,1]=3 56 B10R0.82 COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,1,0,0,0,1|1,0,0]=3 57 B10R0.98 CC(C)C(=O)NCCC(=O)O BB_NC-02361 [0,1,0,0,0,1|2,0,0]=4 58 B10R0.32 CCOC(=O)C(=O)CC(C)=O BB_SC-03903 [0,2,0,0,0,0|0,0,1]=3 59 B10R0.46 C=C(CC(=O)OC)C(=O)OC BB_NC-00456 [0,2,0,0,0,0|0,0,1]=3 60 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.5 CC1CCCCC1=O BB_SC-06869 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [1,0,0,1,0,0|0,0,1]=3 66 B8R1.50 O=C1CCC(=O)N1Br BB_SC-07072 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.50 O=C1CCC(=O)N1Cl BB_SC-07097 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [1,0,0,1,0,0|0,0,0]=2 70 B8R1.18 CN1CC(=O)NC1=O BB_NC-02021 [0,0,0,1,1,0|2,0,0]=4 71 B10R1.58 CN1CC(C(=O)O)CC1=O BB_SC-09463 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [0,1,0,1,0,0|1,0,1]=4 73 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,0,0,0,1,0|1,0,1]=4 74 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,0,0,0,1,0|1,0,1]=4 75 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,0,0,0,1,0|1,0,1]=4 76 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,0,0,0,1,0|0,0,2]=4 77 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,0,0,0,1,0|2,0,0]=4 78 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,0,0,0,2,0|0,0,0]=2 79 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,0,0,0,2,0|1,0,1]=4