0 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [0,0,0,0,0,0|0,0,3]=3 6 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.4 C=CCNC(N)=O BB_SC-06494 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 C=CCOC(=O)Cl BB_SC-05567 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.23 C=C(CC(=O)O)C(=O)O BB_NC-02310 [0,1,0,0,0,0|0,0,1]=2 18 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CN(CC(=O)O)C(=N)N BB_NC-02326 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,1,0,0,0,0|0,0,0]=1 23 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,1,0,0|1,0,0]=2 26 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,1,0|2,0,1]=4 27 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,1,0|1,0,1]=3 28 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,1,0|3,0,0]=4 29 B6R0.2 NC(=O)NC(N)=O BB_SC-00442 [0,0,0,0,1,0|3,0,0]=4 30 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,1|3,0,0]=4 31 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,1|3,0,0]=4 32 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,0,0,0,1|0,0,0]=1 33 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 CC(O)CCO BB_SC-11995 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.3 NNC(=O)CCCO BB_SC-03913 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,1,0|2,0,0]=4 51 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,1,0|0,0,0]=2 52 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,1,0|1,0,1]=4 53 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 54 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,1,0,0,0,1|2,0,0]=4 55 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,1,0,0,0,1|0,0,0]=2 56 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB_NC-02781 [0,1,0,0,0,1|0,0,1]=3 57 B9R0.53 NN(CC(=O)O)CC(=O)O BB_SC-02560 [0,1,0,0,0,1|0,0,0]=2 58 B9R0.53 O=C(O)CC(=O)CC(=O)O BB_NC-02274 [0,1,0,0,0,1|0,0,0]=2 59 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.24 COC(=O)C#CC(=O)OC BB_SC-12615 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.42 CC(NC(=O)CN)C(=O)O BB_NC-01486 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.48 COCC(=O)NCC(=O)O BB_SC-10566 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,2,0,0,0,0|0,0,0]=2 65 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O BB_SC-06913 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.79 O=C(O)C(O)C(O)C(=O)O BB_NC-02292 [0,2,0,0,0,0|0,0,0]=2 67 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,1|1,0,1]=4 78 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,1,0,1|1,0,0]=3 79 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,2,0|2,0,0]=4 80 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,2,0|1,0,0]=3 81 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,2,0|2,0,0]=4 82 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,2,0|1,0,1]=4 83 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,0,0,0,2,0|2,0,0]=4 84 B9R0.55 O=C(O)CCCCC(=O)O BB_SC-07132 [0,0,0,0,0,2|0,0,0]=2 85 B9R0.55 O=C(O)\C=C\C=C\C(=O)O BB_SC-02887 [0,0,0,0,0,2|0,0,2]=4