0 B4R0.2 CCNCC T31448 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 CCNCC T9038 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 CNCCO TN2779 [0,0,0,0,0,0|2,1,0]=3 3 B4R0.2 CSCC=C T5579 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 NCCC#N T13475 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 OCCCO T40585 [0,0,0,0,0,0|0,2,0]=2 6 B3R0.1 NCCO T22327 [1,0,0,0,0,0|1,1,0]=3 7 B3R0.1 NCCS T1080 [1,0,0,0,0,0|1,0,0]=2 8 B3R0.1 NCCS T6460 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CCCC([O-])=O T1393 [0,1,0,0,0,0|1,1,1]=4 10 B5R0.1 C[C@@H](CCO)O T9257 [0,1,0,0,0,0|0,2,0]=3 11 B5R0.1 C[C@@H](O)CCO T19538 [0,1,0,0,0,0|0,2,0]=3 12 B5R0.1 NCCC(O)=O T0627 [0,1,0,0,0,0|1,1,1]=4 13 B5R0.1 NCCP(O)=O TN2749 [0,1,0,0,0,0|2,1,0]=4 14 B5R0.1 NCCS(O)=O T5225 [0,1,0,0,0,0|2,1,0]=4 15 B5R0.2 CCCSSC T39668 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.2 NCCCCN T22213 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.3 CC(CCl)CCl T31230 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.3 CCC(C)C=O T5090 [0,1,0,0,0,0|1,1,1]=4 19 B5R0.3 CCC(O)C=C TN6958 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.3 NC[C@@H](O)CCl T21259 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.3 OCC(O)C=O T4918 [0,1,0,0,0,0|0,2,1]=4 22 B5R0.3 OCC(O)CO T4776 [0,1,0,0,0,0|0,2,0]=3 23 B5R0.3 OCC(S)CS T0781 [0,1,0,0,0,0|0,1,0]=2 24 B5R1.1 C1CC=CO1 T0654 [0,0,0,1,0,0|1,1,1]=4 25 B5R1.3 ClCC1CO1 T6344 [0,0,0,1,0,0|1,1,0]=3 26 B5R1.3 ClCC1CO1 T6666 [0,0,0,1,0,0|1,1,0]=3 27 B5R1.3 N#CC1CC1 T0536 [0,0,0,1,0,0|2,0,1]=4 28 B2R0.1 CNC T5309 [2,0,0,0,0,0|1,0,0]=3 29 B2R0.1 CON T21320 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.1 CC(N)C=O T29820 [1,1,0,0,0,0|0,1,1]=4 31 B4R0.1 CC(N)CO T27792 [1,1,0,0,0,0|0,1,0]=3 32 B4R0.1 C[C@H](O)CO T12810 [1,1,0,0,0,0|0,1,0]=3 33 B4R0.1 [O-]C(=O)CS T8530 [1,1,0,0,0,0|0,1,1]=4 34 B6R0.3 NC(CS)C(=O)O T8141 [0,2,0,0,0,0|0,1,1]=4 35 B6R0.3 N[C@@H](CS)C(O)=O T1547L [0,2,0,0,0,0|0,1,1]=4 36 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [0,2,0,0,0,0|0,1,1]=4 37 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [0,2,0,0,0,0|0,1,1]=4 38 B6R0.3 N[C@H](CS)C(O)=O T10933 [0,2,0,0,0,0|0,1,1]=4 39 B6R0.4 CC(C)CCC=O T20931 [0,2,0,0,0,0|1,1,0]=4 40 B6R0.4 CSCCC(O)=O T5285 [0,2,0,0,0,0|0,1,1]=4 41 B6R0.4 NCCCC(O)=O T0508 [0,2,0,0,0,0|1,1,0]=4 42 B6R0.5 [O-]S(=O)(=O)CCS T1414 [0,2,0,0,0,0|1,1,0]=4 43 B6R0.6 CC/C=C\CCO T22295 [0,2,0,0,0,0|1,1,0]=4 44 B6R0.6 CCC/C=C/CO TN5162 [0,2,0,0,0,0|1,1,0]=4 45 B6R0.6 CCCCCCO TN6891 [0,2,0,0,0,0|1,1,0]=4 46 B6R0.6 CCCCN=C=S TN6757 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.6 ClCCCCC#N T20456 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.6 ClCCNCCCl T0565 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.6 NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.6 NCCOCC#C T16586 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.6 NCCOCCN T14009 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.6 NOCCCON T13990 [0,2,0,0,0,0|0,2,0]=4 53 B6R0.6 OCCOCC#C T16656 [0,2,0,0,0,0|1,1,0]=4 54 B6R0.6 OCCOCCBr T14787 [0,2,0,0,0,0|1,1,0]=4 55 B6R0.6 OCCOCCO T21019 [0,2,0,0,0,0|0,2,0]=4 56 B4R1.2 CC1OC1 T19524 [1,0,0,1,0,0|0,1,0]=3 57 B6R1.2 CN1CCCC1 T8029 [0,1,0,1,0,0|2,0,0]=4 58 B6R1.2 N=C1CCCS1 T19958 [0,1,0,1,0,0|1,0,0]=3 59 B6R1.2 O=C1CCSC1 T37630 [0,1,0,1,0,0|0,1,1]=4 60 B6R1.1 C1CSCSC1 T19081 [0,1,0,1,0,0|0,0,0]=2