0 B9R0.5 CCCCCC(=O)OCC 15737 [1,0,0,0,0,0|0,0,0]=1 1 B9R0.5 CCOC(=O)CCCCBr 3955 [1,0,0,0,0,0|1,0,0]=2 2 B9R0.5 CCOC(=O)CCCCN 31885 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.5 CCOC(=O)CCN=C=O 30451 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.5 CCO\C=C\C(=O)OCC 12909 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.5 CCO\C=C\C(=O)OCC 27595 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.18 O=C(CCCCl)CCCCl 13593 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.45 CCCCCC#CCCO 13073 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.17 CCCCC1CCCCC1=O 20238 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.900 CCCCC1(O)CCCCC1 20384 [0,0,0,1,0,0|1,0,2]=4 13 B8R0.1 C=COC(=O)CCCC 13121 [2,0,0,0,0,0|0,0,2]=4 14 B8R0.1 CCOC(=O)CCC#N 31621 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.1 CCOC(=O)CCCBr 3949 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.1 CCOC(=O)CCCI 35852 [2,0,0,0,0,0|1,0,0]=3 17 B8R0.1 CCOC(=O)NCCCl 23479 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,1]=4 19 B8R0.4 CCCCC\C=C\CO 18916 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.4 CCCOCCCCCl 1931 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.6 CCCSCC(=O)OC 28955 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.6 COC(=O)CCCCN 31883 [2,0,0,0,0,0|1,0,0]=3 23 B10R0.1 CCOC(=O)CCCCCBr 3953 [1,1,0,0,0,0|0,0,0]=2 24 B10R0.2 CCOC(=O)CC(=O)OCC 23745 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.2 CCOC(=O)C[C@@H](O)CC#N 21112 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.2 CCOC(=O)C[C@H](O)CC#N 5748 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.3 CCOC(=O)CCCC(=O)Cl 16647 [1,1,0,0,0,0|1,0,1]=4 28 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [1,1,0,0,0,0|0,0,1]=3 29 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [1,1,0,0,0,0|0,0,1]=3 30 B10R0.19 CCOC(=O)[C@@H](N)CCSC 14924 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.71 CCCCCCCCCCBr 2457 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.71 CCCCCCCCCCI 3942 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.71 CCCCOCCOCCO 12838 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.11 CCOC(=O)C1CC=CC1 20010 [1,0,0,1,0,0|0,0,2]=4 35 B10R1.11 CCOC(=O)C1CCCN1 15638 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.11 CCOC(=O)C1CCCO1 7091 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.11 CCOC(=O)C1CCNC1 14291 [1,0,0,1,0,0|1,0,0]=3 38 B10R1.11 CCOC(=O)C1CCNC1 18711 [1,0,0,1,0,0|1,0,0]=3 39 B10R1.11 CCOC(=O)C1CCNC1 20614 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|1,0,0]=3 42 B10R1.138 CCCC(=O)OC[C@@H]1CO1 5837 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.138 CCCC(=O)OC[C@H]1CO1 5834 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.377 CCCC1(O)CCCCC1 20383 [1,0,0,1,0,0|0,0,2]=4 45 B12R1.18 NCCCN1CCCCCC1=O 36000 [0,1,0,1,0,0|1,0,0]=3 46 B12R1.30 O=C(NCCO)C1CCNCC1 7627 [0,1,0,1,0,0|2,0,0]=4 47 B12R1.8 CCCCCOC1=CCCCC1 20247 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.41 C1CCC2=NCCCN2CC1 12840 [0,0,0,2,0,0|2,0,0]=4 49 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,2,0,0|2,0,0]=4 50 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,2,0,0|2,0,0]=4