0 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,0,0,0,0,0|1,0,0]=2 1 B8R0.7 COCCCNC(N)=O BB01-7612 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.82 NCC(O)CCC(N)C(=O)O BB57-4923 [0,1,0,0,0,0|2,0,0]=3 7 B10R0.83 COC(=O)C(N)CCCCN BB57-6122 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.23 CC(C(=O)O)N1CCCC1 BB12-3371 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.31 CCC1=NOC(C(=O)O)C1 BB05-4674 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.31 CCC1=NOC(C(=O)O)C1 BB55-3993 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.113 CC(=O)N1CCCC(N)C1 BB53-1618 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.113 CC(=O)N1CCCC(O)C1 BB58-0084 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.113 CN1CCCC(C(=O)Cl)C1 BB58-1945 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.113 CN1CCCC(C(N)=O)C1 BB58-3894 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.348 N=C(N)N1CCCCCC1 BB58-4193 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.363 CC(=O)C1(N)CCCCC1 BB54-5693 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.363 CC1(C(=O)O)CCCCN1 BB57-1739 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.363 CC1(C(=O)O)CCCCO1 BB12-2062 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.363 CC1(C(=O)O)CCNCC1 BB57-1762 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.363 CC1(C(=O)O)CCOCC1 BB58-0082 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.363 CC1(C(=O)O)COCCO1 BB58-5287 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.363 NC(=O)C1(N)CCCCC1 BB55-6848 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.363 NC1(C(=O)O)CCCCC1 BB56-0254 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.363 NC1(C(=O)O)CCOCC1 BB54-4833 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.363 O=C(O)C1(Cl)CCCCC1 BB17-2878 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.363 O=C(O)C1(O)CCCCC1 BB12-2041 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.363 O=C(O)C1(O)CCNCC1 BB57-2453 [0,0,0,1,0,0|2,0,0]=3 31 B7R0.1 CCCCSCCO BB54-1800 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 CCCCC(N)CO BB56-2048 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.4 CC(C)CCCCO BB12-2305 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 CC(O)CNCCO BB57-2443 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CCCCNC(C)C BB55-6366 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.4 CCCNCC(C)O BB58-2124 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.4 CCOCCC(=O)Cl BB58-1931 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 O=C(O)CNCCO BB58-1263 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCSC(C)C(=O)O BB12-3261 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CNCC(C)C(=O)O BB12-1637 [2,0,0,0,0,0|1,0,0]=3 46 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.2 CCCCSCCC(=O)O BB54-0237 [1,1,0,0,0,0|0,0,0]=2 48 B9R0.2 CCOCCCNC(N)=O BB01-7613 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.2 CN1CCCC(CO)C1 BB12-1539 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.3 CC1CCCC(C)N1N BB58-1673 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.118 O=NC1(Cl)CCCCC1 BB17-0159 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [1,0,0,1,0,0|1,1,0]=4 61 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|0,0,0]=2 73 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [1,0,0,1,0,0|0,0,0]=2 74 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [1,0,0,1,0,0|0,0,2]=4 76 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,0,0,1,0,0|1,0,0]=3 82 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,0,0,1,0,1|2,0,0]=4 83 B11R1.928 CC1(CC(=O)O)CCCCC1 BB58-5102 [0,0,0,1,0,1|0,0,0]=2 84 B11R1.928 NC1(CC(=O)O)CCOCC1 BB58-1554 [0,0,0,1,0,1|2,0,0]=4 85 B11R1.928 NC1(CC(=O)O)CCSCC1 BB26-0838 [0,0,0,1,0,1|2,0,0]=4 86 B11R1.35 O=C(O)C(=O)NC1CCCC1 BB55-4697 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.48 CCN1CC(C(=O)O)CC1=O BB05-4609 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.173 CC(C)(C(=O)O)N1CCCC1 BB12-2051 [0,1,0,1,0,0|1,0,0]=3 90 B11R1.737 NC(=O)C1(N)CCCCCC1 BB55-7965 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.737 NC1(C(=O)O)CCCCCC1 BB55-6496 [0,1,0,1,0,0|0,0,0]=2 92 B11R1.36 CC(C(=O)O)N1CCCCC1 BB55-6243 [0,1,0,1,0,0|0,0,0]=2 93 B11R1.36 CC(C(=O)O)N1CCNCC1 BB12-2180 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.36 CC(C(=O)O)N1CCOCC1 BB55-6241 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.266 CC(=O)N1CCCC(CCl)C1 BB58-5160 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.266 CC(=O)N1CCCC(CO)C1 BB53-1381 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.3 CCN1CCC(C(N)=O)CC1 BB12-3001 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.3 O=C(O)C1CCC(CO)CC1 BB57-7148 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.21 CN1CC(C(=O)O)CCC1=O BB05-3790 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.21 CN1CC(C(=O)O)CCC1=O BB12-2173 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.220 CN1CCC(N)(C(=O)O)CC1 BB55-8642 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.220 CN1CCC(O)(C(=O)O)CC1 BB58-1265 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.23 COC(=O)N1CCCC(O)C1 BB12-1763 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.878 CC1(C(=O)NN)CCCCO1 BB12-2160 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.878 COC(=O)C1(C)CCCCN1 BB57-1750 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.878 COC(=O)C1(C)CCCCO1 BB12-2061 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.878 COC(=O)C1(C)CCNCC1 BB57-1734 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.878 COC(=O)C1(C)CNCCO1 BB58-4220 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.878 COC(=O)C1(N)CCCCC1 BB55-8832 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.298 CCC(C(=O)O)N1CCCC1 BB57-1163 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.1074 CCC1(C(=O)O)CCCNC1 BB57-1733 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.1074 CCC1(C(=O)O)CCNCC1 BB57-1767 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.1074 CCC1(C(N)=O)CCCNC1 BB93-0685 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.1074 N#CC1(C(=O)O)CCOCC1 BB57-1989 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.730 CC1(C)CC(C(=O)O)CCO1 BB58-2169 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.730 CC1(C)CCCC(C(=O)O)O1 BB58-4801 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.730 CC1(C)COCC(C(=O)O)O1 BB58-4749 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,2,0,0|0,0,0]=2