0 B5R0.2 C#CCCCO 102448 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C\C=C/CO 102650 [1,0,0,0,0,0|0,0,3]=4 2 B4R0.2 NCCCN 21368 [1,0,0,0,0,0|2,0,0]=3 3 B4R0.2 NCCCN 21721 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.2 NCCCN 21741 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.2 NCCCN 22243 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.2 OC\C=C/I 103154 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 OC\C=C\I 103137 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 C=CC(C)CCO 102710 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.4 CCCN[N+](=O)[O-] 22283 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.6 CCC#CCCC 102645 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.6 CCO\C=C\SC 103146 [0,1,0,0,0,0|1,1,1]=4 12 B6R0.6 COCOCCCl 100854 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.6 C\C=C/CCCO 102707 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.6 NCCOCCN 21478 [0,1,0,0,0,0|2,0,1]=4 15 B6R1.2 O=C1C=CCC1 16113 [0,0,0,1,0,0|0,0,2]=3 16 B6R1.2 OC1=NNCC1 20904 [0,0,0,1,0,0|2,0,1]=4 17 B3R0.1 CNNC 16369 [2,0,0,0,0,0|2,0,0]=4 18 B3R0.1 NCCN 21369 [2,0,0,0,0,0|2,0,0]=4 19 B3R0.1 NCCN 21544 [2,0,0,0,0,0|2,0,0]=4 20 B3R0.1 NCCS 21729 [2,0,0,0,0,0|1,1,0]=4 21 B3R0.1 OCCF 9966 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CC(F)CCO 9969 [1,1,0,0,0,0|0,0,1]=3 23 B5R0.1 N#CCC(N)=O 462 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.3 OC(CF)CF 9971 [1,1,0,0,0,0|2,0,0]=4 25 B5R0.3 OCC(Cl)CF 9968 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.2 C\C(=C\Cl)CC(C)C 103075 [0,2,0,0,0,0|1,0,1]=4 27 B7R0.2 C\C=C(\C)CC(C)C 103077 [0,2,0,0,0,0|1,0,1]=4 28 B7R0.3 C=CC(C)CCCC 102712 [0,2,0,0,0,0|1,0,0]=3 29 B7R0.3 C=CC(C)CCCO 102711 [0,2,0,0,0,0|1,0,0]=3 30 B7R0.3 C=CCCC(Br)CBr 19930 [0,2,0,0,0,0|1,0,0]=3 31 B7R0.7 CC\C=C(/C)CCC 102642 [0,2,0,0,0,0|1,0,1]=4 32 B7R0.12 CCC(\C=C\Cl)CC 103088 [0,2,0,0,0,0|1,0,1]=4 33 B7R0.12 CCC(\C=C\I)CC 103082 [0,2,0,0,0,0|1,0,1]=4 34 B7R0.4 C=C(F)CCCCO 102348 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.4 C=CCCCC(=O)O 102353 [0,2,0,0,0,0|0,0,1]=3 36 B7R0.4 CCO\C=C\C(=O)O 103160 [0,2,0,0,0,0|0,0,2]=4 37 B7R0.4 O=[N+]([O-])OCCCBr 22206 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.6 CC(C)=CCC(=O)O 16792 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.6 CC(C)\C=C\C(=O)O 16790 [0,2,0,0,0,0|0,0,2]=4 40 B7R0.8 CC(C)(C)\C=C\C=O 103153 [0,2,0,0,0,0|0,0,2]=4 41 B7R0.1 CCCCC\C=C\I 102635 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.1 C\C=C/CCCCC 102713 [0,2,0,0,0,0|1,0,0]=3 43 B7R0.1 C\C=C/CCCCO 102708 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.3 FC1CCCCC1 102292 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.3 O=C1C=CCCC1 19980 [0,1,0,1,0,0|0,0,1]=3 46 B7R1.4 CC1=CCCC1=O 16116 [0,1,0,1,0,0|0,0,1]=3 47 B7R1.4 CC1CC=CC1=O 16115 [0,1,0,1,0,0|0,0,1]=3