0 B10R0.6 COCCOC(=O)CC(C)=O 35975 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 CC(C)CCCCCCBr 18956 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.5 CCCCCC(=O)OCC 15737 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.5 CCOC(=O)CCCCBr 3955 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.5 CCOC(=O)CCCCN 31885 [1,0,0,0,0,0|3,0,0]=4 5 B11R0.165 CC(C)(C)OC(=O)NCCCN 13479 [0,1,0,0,0,0|3,0,0]=4 6 B11R0.165 CNCCNC(=O)OC(C)(C)C 25578 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.47 C=C(F)C(=O)OCCCC 32379 [0,0,0,0,1,0|1,0,2]=4 8 B9R0.47 CN(C)C(=O)CCCCBr 36181 [0,0,0,0,1,0|3,0,0]=4 9 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [0,0,0,0,0,1|1,0,1]=3 10 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|1,0,1]=4 11 B8R0.7 CCCCCC[C@@H](C)N 6754 [2,0,0,0,0,0|1,0,1]=4 12 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|1,0,1]=4 13 B8R0.7 CCCCCC[C@H](C)N 6748 [2,0,0,0,0,0|1,0,1]=4 14 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.1 CCOC(=O)CCCBr 3949 [2,0,0,0,0,0|2,0,0]=4 17 B8R0.1 CCOC(=O)CCCI 35852 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.5 CC(C)OC(=O)OCCl 28997 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.5 CCOC(=O)CC(C)=O 14160 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.6 C=CC(=O)OCCCC 21089 [2,0,0,0,0,0|0,0,2]=4 24 B10R0.97 CC(C)CCSCCC(C)C 21970 [1,1,0,0,0,0|0,1,1]=4 25 B10R0.28 CC(C)(C)OC(=O)CCCBr 13277 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.28 CC(C)(C)OC(=O)CCCBr 25910 [1,1,0,0,0,0|2,0,0]=4 27 B10R0.1 CCOC(=O)CCCCCBr 3953 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [1,1,0,0,0,0|2,0,0]=4 29 B12R0.125 CC(C)(C)OC(=O)NCCCCN 25541 [0,2,0,0,0,0|2,0,0]=4 30 B12R0.125 CNCCCNC(=O)OC(C)(C)C 18721 [0,2,0,0,0,0|2,0,0]=4 31 B12R0.140 CC(O)CCNC(=O)OC(C)(C)C 34650 [0,2,0,0,0,0|2,0,0]=4 32 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|1,0,0]=3 33 B10R1.138 CCCC(=O)OC[C@@H]1CO1 5837 [1,0,0,1,0,0|1,0,0]=3 34 B10R1.138 CCCC(=O)OC[C@H]1CO1 5834 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.7 NC1CCCCCNC1=O 14099 [0,0,0,1,1,0|2,0,0]=4 36 B10R1.23 C[C@H](O)C(=O)N1CCCC1 32044 [0,0,0,1,1,0|2,0,0]=4 37 B12R1.120 CC(C)[C@H](N)C(=S)N1CCCC1 11504 [0,1,0,1,0,0|1,1,0]=4 38 B12R1.265 CC(C)(C)OC(=O)N1CCCC1 9422 [0,1,0,1,0,0|2,0,0]=4