0 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.3 CCCCC(=O)NN BB_SC-00088 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.3 COC(=O)CCCCl BB_SC-07247 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.3 CO\C=C\C(=O)OC BB_NC-02027 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.1 COC(=O)CCNC(C)C BB_SC-11685 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.34 COCC(=O)CC(=O)OC BB_SC-05537 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,1,0,0,0,0|0,0,2]=3 15 B9R0.47 C=C(C)C(=O)OCCCC BB_SC-07032 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.21 COC1C=CC(OC)O1 BB_SC-06551 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,0,0,1,0,0|1,0,2]=4 21 B6R0.6 CCCCOC=O BB_SC-07045 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.1 CNCC(=O)NC BB_NC-02631 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 COC(=O)CC#N BB_SC-06876 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 COC(=O)CCBr BB_SC-11223 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.1 COC(=O)CCN BB_NC-01738 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 CC(=O)NCCN BB_SC-10762 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [2,0,0,0,0,0|0,0,0]=2 31 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.59 COC(=O)\C=C\CC(=O)OC BB_SC-07228 [0,2,0,0,0,0|0,0,1]=3 39 B10R0.2 CCCC(=O)CC(=O)OCC BB_SC-11237 [0,2,0,0,0,0|0,0,1]=3 40 B10R0.2 CCOC(=O)CC(=O)OCC BB_SC-07073 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.83 [C@H](N)(CCCCN)C(=O)OC BB_NC-00526 [0,2,0,0,0,0|0,0,2]=4 42 B10R0.74 CCCCCCCC(=O)OC BB_SC-07043 [0,2,0,0,0,0|0,0,2]=4 43 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|0,0,2]=4 45 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.54 CC(C)CC1=NOC(N)=C1 BB_SC-09737 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.245 COC1=C(C)NC=CC1=O BB_SC-05195 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.149 COC(=O)C1=C(C)OC=C1 BB_SC-06791 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.149 COC(=O)C1CCCC1=O BB_SC-01711 [0,1,0,1,0,0|0,0,1]=3 50 B10R2.14 NC1=CC(C2CC2)=NO1 BB_SC-10471 [0,0,0,2,0,0|2,0,0]=4 51 B10R2.32 NC1=C2CCCC2=NO1 BB_SC-11441 [0,0,0,2,0,0|2,0,0]=4