0 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)\C=C\N(C)C BB_SC-05573 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 CN(C)CCCO BB_SC-06804 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.23 C=C(CC(=O)O)C(=O)O BB_NC-02310 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 CN(CC(=O)O)C(=N)N BB_NC-02326 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,1,0,0|1,0,1]=3 29 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,0,0,0,1,0|1,0,0]=2 30 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,0,0,0,1,0|1,0,1]=3 31 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,0,0,0,1,0|1,0,0]=2 32 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [0,0,0,0,1,0|1,0,1]=3 33 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [0,0,0,0,1,0|0,0,1]=2 34 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [0,0,0,0,1,0|1,0,1]=3 35 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [0,0,0,0,1,0|1,0,0]=2 36 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [0,0,0,0,1,0|2,1,0]=4 37 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [0,0,0,0,0,1|1,0,0]=2 38 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,0,0,0,1|1,0,1]=3 39 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,0,0,0,1|2,0,1]=4 40 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|0,0,2]=4 41 B5R0.1 C=COC(C)=O BB_SC-12396 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 CC(C)=CCO BB_NC-02261 [2,0,0,0,0,0|0,0,0]=2 44 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|0,0,1]=3 45 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [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|0,0,0]=2 52 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|0,0,2]=4 62 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [0,1,0,0,1,0|1,0,1]=4 63 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,1,0,0,1,0|2,0,0]=4 64 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,1,0|2,0,0]=4 65 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,1,0|0,0,1]=3 66 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,1,0|1,0,1]=4 67 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 68 B9R0.1 C=CC(=C)CCC=C(C)C BB_NC-03237 [0,1,0,0,0,1|2,0,0]=4 69 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,1|0,0,2]=4 70 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,1,0,0,0,1|2,0,0]=4 71 B9R0.53 CC(=O)CC(=O)OC(C)C BB_SC-06951 [0,1,0,0,0,1|1,0,1]=4 72 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB_NC-02781 [0,1,0,0,0,1|2,0,0]=4 73 B9R0.53 O=C(O)CC(=O)CC(=O)O BB_NC-02274 [0,1,0,0,0,1|2,0,0]=4 74 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.42 CC(NC(=O)CN)C(=O)O BB_NC-01486 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.43 CCN(CC)CCC(=O)O BB_SC-08357 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.48 COCC(=O)NCC(=O)O BB_SC-10566 [0,2,0,0,0,0|2,0,0]=4 80 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|0,0,2]=4 82 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.14 O=S1(=O)CC=CC1 BB_SC-05410 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|0,0,2]=4 85 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,0,0,1,0,1|1,0,1]=4 87 B9R1.133 O=S1(=O)CC=C(CBr)C1 BB_SC-11377 [0,1,0,1,0,0|1,0,1]=4 88 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,0,0,0,2,0|1,0,1]=4 89 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,0,0,0,2,0|0,0,1]=3 90 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,0,0,0,2,0|1,0,1]=4 91 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,0,0,0,2,0|1,0,0]=3 92 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,0,0,0,2,0|2,0,0]=4 93 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,0,0,0,2,0|1,0,1]=4 94 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,0,0,0,2,0|0,0,1]=3 95 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,0,0,0,2,0|1,0,1]=4 96 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,0,0,0,2,0|2,0,0]=4 97 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,0,0,0,2,0|1,0,1]=4