0 B5R0.2 CCCSSC T39668 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 NCCCCN T22213 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.2 CCNCC T31448 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.2 CCNCC T9038 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.2 CNCCO TN2779 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 CSCC=C T5579 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.2 CSSSC T8034 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.2 OCCCO T40585 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 CC/C=C\CCO T22295 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.6 CCC/C=C/CO TN5162 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.6 CCCCCCO TN6891 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.6 ClCCNCCCl T0565 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.6 NCCCCCN T4895 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.6 NCCOCCN T14009 [0,1,0,0,0,0|2,1,0]=4 14 B6R0.6 OCCOCCBr T14787 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.6 OCCOCCO T21019 [0,1,0,0,0,0|2,1,0]=4 16 B6R1.1 C1CSCSC1 T19081 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 CN1CCCC1 T8029 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 N=C1CCCS1 T19958 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 O=C1CCSC1 T37630 [0,0,0,1,0,0|2,0,1]=4 20 B3R0.1 NCCO T22327 [2,0,0,0,0,0|2,0,0]=4 21 B3R0.1 NCCS T1080 [2,0,0,0,0,0|2,0,0]=4 22 B3R0.1 NCCS T6460 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 CCSC(N)=N T22761 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.1 C[C@@H](CCO)O T9257 [1,1,0,0,0,0|2,0,0]=4 25 B5R0.1 C[C@@H](O)CCO T19538 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.10 CCC(O)C(=O)CC T20376 [0,2,0,0,0,0|2,0,0]=4 27 B7R0.1 C=CCSSCC=C TN1576 [0,2,0,0,0,0|0,0,2]=4 28 B7R0.1 CCCCCCCO TN6893 [0,2,0,0,0,0|2,0,0]=4 29 B7R0.1 CCCSSCCC TN6758 [0,2,0,0,0,0|0,0,0]=2 30 B7R0.1 CNCCOCCO T32120 [0,2,0,0,0,0|1,1,0]=4 31 B7R0.1 COCCOCCBr T18161 [0,2,0,0,0,0|1,1,0]=4 32 B7R0.1 COCCOCCN T15842 [0,2,0,0,0,0|1,1,0]=4 33 B7R0.1 NCCCNCCS TQ0133 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.1 NCCSSCCN T15035 [0,2,0,0,0,0|0,0,0]=2 35 B7R0.1 NCCSSCCN T20109 [0,2,0,0,0,0|0,0,0]=2 36 B7R0.1 NCCSSCCO T14257 [0,2,0,0,0,0|0,0,0]=2 37 B7R1.3 CC1CCOCO1 T21291 [0,1,0,1,0,0|0,2,0]=4 38 B7R1.3 NN1CCCCC1 T0533 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.3 O=C1CCCCO1 T4821 [0,1,0,1,0,0|1,1,0]=4 40 B7R1.4 NC1CCSC1=O T5968 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,1,0,0|2,0,0]=4