0 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.6 COC(=O)CCN=C=O BB_NC-02138 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 COCCNC(=O)CN BB_SC-03476 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.1 C=CCCCCCC BB_SC-07258 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.1 CCCCCCCI BB_SC-09408 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCCCN=C=S BB_NC-02794 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 NNC(=O)CCCO BB_SC-03913 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.34 COCC(=O)CC(=O)OC BB_SC-05537 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,1,0,0,0,0|0,0,0]=1 20 B9R0.47 C=C(C)C(=O)OCCCC BB_SC-07032 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.11 NCC(=O)N1CCCC1 BB_SC-09765 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.11 NNC(=O)C1CCCO1 BB_SC-06202 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.11 N\C(=N/O)C1CCCC1 BB_SC-12305 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.21 C1(OC)CCC(OC)O1 BB_SC-06749 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,0,0,1,0,0|1,0,0]=2 30 B6R0.6 CCCCCCBr BB_SC-06675 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.6 CCCCCCI BB_SC-07033 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 CCCCCCN BB_SC-05552 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 CCCCN=C=O BB_SC-06541 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCCCOC=O BB_SC-07045 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.6 CCCNCCC BB_SC-06961 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 CNCC(=O)NC BB_NC-02631 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CC#N BB_SC-06876 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 COC(=O)CCBr BB_SC-11223 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.1 COC(=O)CCN BB_NC-01738 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(=O)NCCN BB_SC-10762 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [2,0,0,0,0,0|0,0,2]=4 46 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.4 CCCCCCCCCl BB_SC-07057 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.4 CCCCCCCCI BB_SC-06637 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.4 CCCCNCCCC BB_SC-07063 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.4 COCCNCCOC BB_SC-07130 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [1,1,0,0,0,0|0,0,1]=3 55 B8R0.11 CCCCC(C=O)CC BB_NC-02782 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [1,1,0,0,0,0|1,0,0]=3 57 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [1,1,0,0,0,0|0,0,2]=4 62 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.3 CCOC(=O)CCCC(C)=O BB_SC-05486 [0,2,0,0,0,0|0,0,1]=3 64 B10R0.59 COC(=O)CCCC(=O)OC BB_SC-07153 [0,2,0,0,0,0|0,0,1]=3 65 B10R0.82 COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,2,0,0,0,0|1,0,1]=4 66 B10R0.2 CCCC(=O)CC(=O)OCC BB_SC-11237 [0,2,0,0,0,0|0,0,1]=3 67 B10R0.2 CCOC(=O)CC(=O)OCC BB_SC-07073 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.83 [C@H](N)(CCCCN)C(=O)OC BB_NC-00526 [0,2,0,0,0,0|0,0,0]=2 69 B10R0.74 CCCCCCCC(=O)OC BB_SC-07043 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.2 CNC1CCCCC1 BB_SC-06964 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|0,0,0]=2 74 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.13 CC(C)N1CCC(=O)CC1 BB_SC-06442 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.11 NCCC(=O)N1CCCC1 BB_SC-08028 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.15 CNC(=O)C1CCCCN1 BB_SC-07849 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.149 COC(=O)C1CCCC1=O BB_SC-01711 [0,1,0,1,0,0|0,0,1]=3