0 B7R1.3 BrC1CCCOC1 BB55-3590 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CC1=CC=NC=N1 BB17-0193 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 CC1=CCNCC1 BB57-2457 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 O=C1CNCCN1 BB54-4362 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 O=C1CSCCN1 BB20-1255 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.1 C1=CCONC1 BB12-1719 [1,0,0,0,0,0|2,0,1]=4 7 B6R1.1 C1CCONC1 BB57-1044 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.2 C#CC1=CCCCC1 BB54-2654 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,1,0,0,0,0|1,0,1]=3 10 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,1,0,0,0,0|1,0,1]=3 11 B8R1.2 O=CC1CC=CCC1 BB01-8334 [0,1,0,0,0,0|0,0,3]=4 12 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,0,0,0|0,0,3]=4 13 B8R1.3 O=C1C=CC(Cl)=NN1 BB53-1390 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.3 O=C1C=CC(O)OC1 BB54-5359 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,0,0,0|1,0,2]=4 16 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,0,0,0|1,0,2]=4 17 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,0,0,0|1,0,1]=3 18 B8R1.4 O=C1CNCC(=O)N1 BB57-3416 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.4 O=C1COCC(=O)N1 BB57-3413 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.5 CC1=NCCCN1C BB54-0189 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.5 CC1OCCNC1=O BB58-1681 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.5 CN1CCNCC1=O BB57-1025 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.5 NC1=CC=CNC1=O BB54-0381 [0,1,0,0,0,0|1,0,2]=4 25 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,0,0,0|0,0,2]=3 26 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,0,0,0|1,0,2]=4 27 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.1 C#CC(=O)OCC BB53-1426 [0,0,1,0,0,0|1,0,2]=4 29 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 CCNC(=O)CBr BB57-1139 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.1 CCOC(=N)CC BB57-3767 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 CNC(=O)CCCl BB12-1619 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 CNC(=O)CCN BB12-1715 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.1 CNC(=O)CCO BB12-3660 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.1 CNCC(=O)NC BB01-4880 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.1 CNCC(=O)NN BB12-1497 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.1 CNNC(=O)OC BB58-0264 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.1 COC(=O)CCN BB12-2761 [0,0,1,0,0,0|2,0,1]=4 39 B6R0.1 COC(=O)CCO BB12-1300 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.1 COCC(=O)NN BB55-2156 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.4 CCCCC(N)=S BB31-3291 [0,0,1,0,0,0|1,1,1]=4 42 B6R0.4 CCCNC(N)=O BB01-7603 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.4 CCSCC(=O)O BB12-3264 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.4 CNCCC(=O)O BB12-1452 [0,0,1,0,0,0|2,0,1]=4 46 B6R0.4 COCCC(=O)Cl BB20-1617 [0,0,1,0,0,0|2,0,1]=4 47 B6R0.4 COCCC(C)=O BB58-1056 [0,0,1,0,0,0|1,0,2]=4 48 B6R0.4 N=C(N)CCCCl BB54-4116 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 NC(=O)CCCCl BB57-2489 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.4 NCCCC(N)=O BB57-4725 [0,0,1,0,0,0|2,0,0]=3 51 B6R0.6 C=CCCCC#N BB12-2224 [0,0,1,0,0,0|1,0,1]=3 52 B6R1.2 BrC1=CC=NS1 BB54-5514 [0,0,0,0,1,0|3,0,0]=4 53 B6R1.2 CC1=CC=NN1 BB56-1939 [0,0,0,0,1,0|3,0,0]=4 54 B6R1.2 CC1=NCCN1 BB01-8036 [0,0,0,0,1,0|3,0,0]=4 55 B6R1.2 N=C1NCCN1 BB20-0100 [0,0,0,0,1,0|3,0,0]=4 56 B6R1.2 NC1=NNC=C1 BB54-4623 [0,0,0,0,1,0|3,0,0]=4 57 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,0,1,0|2,0,1]=4 58 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,0,0,1|1,0,1]=3 60 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,0,0,0,1|1,0,1]=3 61 B5R0.1 CCOC(C)=N BB12-3674 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 CNCC(C)=O BB12-3010 [1,0,1,0,0,0|1,0,1]=4 63 B5R0.1 NC(=O)CCO BB58-1090 [1,0,1,0,0,0|2,0,0]=4 64 B5R0.2 C=COCCN BB57-6790 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.3 CNC(=O)CBr BB55-6801 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.3 CNC(=O)CO BB58-0349 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.2 CC(C)CC(=O)NN BB12-2655 [0,1,1,0,0,0|2,0,0]=4 68 B7R0.2 CNC(=O)CC(C)N BB12-1658 [0,1,1,0,0,0|1,0,1]=4 69 B7R0.3 CCC(=O)NCCN BB12-2323 [0,1,1,0,0,0|1,0,1]=4 70 B7R0.3 CCCCC(=O)NN BB12-2550 [0,1,1,0,0,0|2,0,0]=4 71 B7R0.3 CNC(=O)CCCN BB55-7167 [0,1,1,0,0,0|1,0,1]=4 72 B7R0.3 CNCCC(=O)NC BB12-1428 [0,1,1,0,0,0|1,0,1]=4 73 B7R0.3 COCCC(=O)NN BB20-4502 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.3 NNC(=O)CCCO BB55-4806 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,1,1,0,0,0|2,0,0]=4 76 B7R0.5 CCNC(=O)C(C)Cl BB55-4743 [0,1,1,0,0,0|1,0,1]=4 77 B7R0.7 CCOC(=O)CCO BB12-1446 [0,1,1,0,0,0|1,0,1]=4 78 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.4 C=CCSCC(=O)O BB12-3265 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.4 CC(=O)NCCCN BB32-2735 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.4 CC(=O)NCCCO BB12-3384 [0,1,1,0,0,0|1,0,1]=4 83 B7R0.4 CCCNCC(=O)O BB20-0186 [0,1,1,0,0,0|1,0,1]=4 84 B7R0.4 CCCOCC(=O)O BB55-7872 [0,1,1,0,0,0|1,0,1]=4 85 B7R0.4 CCCSCC(=O)O BB12-3263 [0,1,1,0,0,0|1,0,1]=4 86 B7R0.4 CCOCCC(=O)Cl BB58-1931 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.4 CCO\C=C\C(C)C BB57-4132 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.4 CCSCCC(=O)O BB12-3270 [0,1,1,0,0,0|1,0,1]=4 89 B7R0.4 NC(=O)CSCCO BB53-1357 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.4 O=C(O)CNCCO BB58-1263 [0,1,1,0,0,0|2,0,0]=4 91 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,0,1,0|1,0,0]=3 92 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,0,1,0|2,0,0]=4 93 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,0,1,0|2,0,0]=4 94 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [0,1,0,0,1,0|2,0,0]=4 95 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,0,1,0|0,0,0]=2 96 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,0,1,0|1,0,0]=3 97 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,0,1,0|2,0,0]=4 98 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,0,1,0|2,0,0]=4 99 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,0,1,0|1,0,0]=3 100 B7R1.4 CC1=CNNC1=O BB58-3426 [0,1,0,0,1,0|2,0,0]=4 101 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,0,1,0|0,0,1]=3 102 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,0,1,0|1,0,0]=3 103 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,0,1,0|1,0,0]=3 104 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,1,0,0,0,1|0,0,2]=4 105 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,1,0,0,0,1|0,0,2]=4 106 B9R1.49 CN1CCCC(=O)CC1 BB12-1456 [0,1,0,0,0,1|0,0,2]=4 107 B9R1.49 CN1CCNC(=O)CC1 BB57-3646 [0,1,0,0,0,1|1,0,1]=4 108 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [0,2,0,0,0,0|1,0,1]=4 109 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,2,0,0,0,0|1,0,1]=4 110 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,2,0,0,0,0|0,0,2]=4 111 B9R1.69 CN1CC(N)CCC1=O BB58-3748 [0,2,0,0,0,0|1,0,1]=4 112 B9R1.34 CC1CC(=O)C=C(N)C1 BB58-3335 [0,2,0,0,0,0|0,0,0]=2 113 B7R1.22 O=C(CBr)C1CC1 BB55-6968 [0,0,1,1,0,0|1,0,1]=4 114 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,1,1,0,0|2,0,0]=4 115 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,0,1,1,0,0|1,0,1]=4 116 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,0,1,1,0,0|2,0,0]=4 117 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,0,1,1,0,0|2,0,0]=4 118 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [0,0,1,1,0,0|1,0,1]=4 119 B9R2.109 O=C1CCCC2CC12 BB32-3528 [0,0,0,1,0,1|0,0,2]=4 120 B5R1.1 C1=CSN=C1 BB58-1903 [1,0,0,0,1,0|2,0,0]=4 121 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,0,2,0|1,0,0]=3 122 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,0,0,0,0,2|0,0,2]=4