0 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 O=C1CCOCCN1 BB20-4217 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.22 O=C1CCSCCN1 BB57-4185 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.162 O=C1CCCCC(CO)N1 BB58-2836 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.1 CCOC(=O)CCNC BB57-3648 [0,0,1,0,0,0|2,0,1]=4 5 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [0,0,1,0,0,0|3,0,0]=4 6 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,0,1,0,0,0|2,0,0]=3 7 B8R0.7 CC(=O)CCCOC=O BB54-0059 [0,0,1,0,0,0|2,0,0]=3 8 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,0,1,0,0,0|2,0,1]=4 9 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,0,0,0,1,0|2,0,1]=4 10 B8R1.4 O=C1CNCC(=O)N1 BB57-3416 [0,0,0,0,1,0|2,0,0]=3 11 B8R1.4 O=C1COCC(=O)N1 BB57-3413 [0,0,0,0,1,0|2,0,0]=3 12 B8R1.5 CC1CNCCC1=O BB58-3122 [0,0,0,0,1,0|2,0,1]=4 13 B8R1.5 CN1CCNCC1=O BB57-1025 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.5 NC1CCCCC1=O BB58-4091 [0,0,0,0,1,0|1,0,1]=3 15 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,0,1,0|1,0,2]=4 16 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.3 CCCCC(=O)NN BB12-2550 [1,0,1,0,0,0|2,0,0]=4 18 B7R0.7 CCOC(=O)CCO BB12-1446 [1,0,1,0,0,0|1,0,1]=4 19 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.4 O=C(O)CNCCO BB58-1263 [1,0,1,0,0,0|1,0,1]=4 25 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,1,1,0,0,0|1,0,1]=4 26 B9R0.6 CCOC(=O)C(C)C(C)=O BB01-7319 [0,1,1,0,0,0|2,0,0]=4 27 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,1,1,0,0,0|1,0,1]=4 28 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,1,1,0,0,0|1,0,1]=4 29 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [0,1,1,0,0,0|2,0,0]=4 30 B9R0.55 O=C(O)CNNCC(=O)O BB58-2136 [0,1,1,0,0,0|2,0,0]=4 31 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.34 CC1CC(=O)C=C(N)C1 BB58-3335 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,1,0,0,1,0|0,0,1]=3 34 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,2,0,0,0,0|1,0,1]=4 35 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,0,1,1,0,0|1,0,0]=3 36 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,0,1,1,0,0|0,0,2]=4 37 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,0,1,1,0,0|2,0,0]=4 39 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,0,1,1,0,0|1,0,1]=4 40 B9R2.109 O=C1CCCC2CC12 BB32-3528 [1,0,0,1,0,0|1,0,1]=4 41 B11R2.202 O=C1NC(=O)N2CCCC12 BB54-1877 [0,0,0,1,0,1|1,0,0]=3 42 B11R2.202 O=C1NC(=O)N2CSCC12 BB57-4996 [0,0,0,1,0,1|2,0,0]=4 43 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,0,1,0,1,0|2,0,0]=4 44 B7R1.3 CC1=CCNCC1 BB57-2457 [1,0,0,0,1,0|2,0,0]=4 45 B7R1.3 O=C1CNCCN1 BB54-4362 [1,0,0,0,1,0|2,0,0]=4 46 B7R1.3 O=C1CSCCN1 BB20-1255 [1,0,0,0,1,0|2,0,0]=4 47 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,0,0,0,2,0|1,0,1]=4 48 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,0,0,0,2,0|0,0,0]=2 49 B7R1.4 NC1CCCC1=O BB58-3328 [0,0,0,0,2,0|1,0,1]=4 50 B9R0.24 CCC(=O)NNC(=O)CCl BB12-2775 [0,0,1,0,0,1|2,0,0]=4