0 B7R0.7 CCCC(=S)OCC R545 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCCS(=O)CCC 7566AF [0,0,0,0,0,0|2,1,0]=3 2 B7R0.7 CCOC(=O)CCN 5625AC [0,0,0,0,0,0|2,1,1]=4 3 B7R0.7 O=C(CCBr)CCBr 6817AA [0,0,0,0,0,0|2,1,1]=4 4 B7R0.7 O=C(CCCl)CCCl R711 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 BrCCC(Br)CBr F672 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CC(CN)CCN 7844AA [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCCC(Br)CBr R241 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCCC(N)CC 7574AF [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCC[C@@H](C)CO N835 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCN(C)CCO Z5820 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCOC(Br)CBr V0731 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CC[C@@H](N)COC 8544AH [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CC[C@H](N)COC 8568AH [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 C\C=C\C(C)CC 6598AL [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 N#CC[C@H](O)CO Q266 [1,0,0,0,0,0|1,1,1]=4 16 B6R0.1 OCC[C@@H](O)CCl Z2057 [1,0,0,0,0,0|1,1,0]=3 17 B6R0.1 OCC[C@H](O)CCl Z2061 [1,0,0,0,0,0|1,1,0]=3 18 B6R0.6 C#CCCCCBr 0285AC [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 CCCCCCF 7535AF [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 CCCCSO=[Sn] P605 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 CCNCCC#N 7314AD [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 COCCCOC U569 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 OCCOCCS 5680AL [1,0,0,0,0,0|2,0,0]=3 24 B8R0.1 CCCCN(C)CCN 6559AD [0,1,0,0,0,0|3,0,0]=4 25 B8R0.30 CC(O)(CCO)CCO 6118AL [0,1,0,0,0,0|1,1,0]=3 26 B8R0.30 CCC[Sn](Cl)(Cl)CCC 8548AJ [0,1,0,0,0,0|3,0,0]=4 27 B8R0.30 O=S(=O)(CCO)CCCl K533 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.4 CC1=CC(O)CCC1 X4463 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.4 CC1CCOC(=O)C1 2149AA [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 CN1CCCC(N)C1 Z2680 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 CN1CCCC(O)C1 L535 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 C[C@@H]1CN(C)CCN1 8937AH [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 C[C@@H]1CNC[C@H](C)C1 3935AJ [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 NC1CCCC(=O)C1 7456AA [0,0,0,1,0,0|1,0,2]=4 35 B8R1.4 NC1CCCC(=O)C1 V9436 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 8375AH [0,0,0,1,0,0|1,0,0]=2 37 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8415AH [0,0,0,1,0,0|1,0,0]=2 38 B8R1.4 N[C@H]1CCC[C@@H](O)C1 3937AJ [0,0,0,1,0,0|1,0,0]=2 39 B8R1.4 N[C@H]1CCC[C@@H](O)C1 X6750 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.8 CCCC1CCCC1 7958AF [0,0,0,1,0,0|2,0,0]=3 41 B8R1.8 NOCC1CCCC1 3261AC [0,0,0,1,0,0|3,0,0]=4 42 B8R1.8 OCCC1CCNC1 3526AF [0,0,0,1,0,0|2,0,0]=3 43 B8R1.11 OC[C@@H]1CC=C[C@@H]1O 2847AH [0,0,0,1,0,0|0,1,2]=4 44 B8R1.22 N[C@@H]1CCCCNC1 X9610 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.22 O=S1CCCNCC1 1742AA [0,0,0,1,0,0|2,1,0]=4 46 B5R0.1 CC(Cl)CCBr 7250AF [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CCCC(C)I 7327AF [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 FCCCCF 1855AE [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 NCCCCCl 5846AB [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CCC(N)CN Y2034 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 C[C@@H](CO)CBr 6877AC [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 OCC(O)CF 6245AB [2,0,0,0,0,0|1,1,0]=4 53 B5R0.3 OC[C@@H](O)CBr 7112AA [2,0,0,0,0,0|1,1,0]=4 54 B5R0.3 OC[C@H](O)CBr 6586AA [2,0,0,0,0,0|1,1,0]=4 55 B7R0.3 CCC(C)OCCO 1705AL [1,1,0,0,0,0|1,0,0]=3 56 B7R0.3 CCCCC(N)CC 7820AF [1,1,0,0,0,0|1,0,0]=3 57 B7R0.3 NCC(Cl)CCCCl 1747AA [1,1,0,0,0,0|2,0,0]=4 58 B7R0.5 CC(=O)C(Cl)CCO X4477 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 CCCC(O)C(C)=O X3438 [1,1,0,0,0,0|0,1,1]=4 60 B7R0.11 CCS(=O)(=O)CCO 4648AE [1,1,0,0,0,0|1,1,0]=4 61 B7R0.12 CCN(CC)CCO 7101AA [1,1,0,0,0,0|2,0,0]=4 62 B7R0.1 CCCCOCCBr 7502AE [1,1,0,0,0,0|1,0,0]=3 63 B7R0.1 CCCNCCC#N 8736AE [1,1,0,0,0,0|1,0,1]=4 64 B7R0.1 CCCOCCCO 9024AJ [1,1,0,0,0,0|0,0,0]=2 65 B7R0.1 OCCCNCCCl B648 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.4 CC(C)CCCCCl 3854AB [1,1,0,0,0,0|1,0,0]=3 67 B7R0.4 CCCCCC(C)N 5131AF [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 N[C@@H](C)CCCCC Z2154 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.6 CCCC(O)C(C)C(C)O 7997AF [0,2,0,0,0,0|0,1,0]=3 70 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Z5927 [0,2,0,0,0,0|0,1,1]=4 71 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Z5577 [0,2,0,0,0,0|0,1,1]=4 72 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5970 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO 8602AJ [0,2,0,0,0,0|1,1,0]=4 74 B7R1.1 ClCC1CCCN1 1258AJ [1,0,0,1,0,0|2,0,0]=4 75 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,1,0,0|0,1,1]=4 76 B7R1.2 CC1CCC(C)N1 Y8778 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [1,0,0,1,0,0|2,0,0]=4 78 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [1,0,0,1,0,0|2,0,0]=4 79 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 C=C1CCCCC1 3293AA [1,0,0,1,0,0|1,0,1]=4 82 B7R1.3 C[C@@H]1CCCCN1 W3754 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 C[C@@H]1CCCNC1 8114AA [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 NC1CCCCN1 6271AB [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 NC1CCSCC1 V4406 [1,0,0,1,0,0|1,1,0]=4 86 B7R1.3 N[C@@H]1CCCOC1 X8827 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.3 N[C@H]1CCCOC1 X6276 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.3 O=S1CCCCC1 V2389 [1,0,0,1,0,0|1,1,0]=4 89 B7R1.4 CC1=C(S)CCO1 R544 [1,0,0,1,0,0|0,0,2]=4 90 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [1,0,0,1,0,0|0,1,0]=3 91 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [1,0,0,1,0,0|1,0,0]=3 93 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [1,0,0,1,0,0|1,1,0]=4 94 B7R1.7 CCCC[C@H]1CO1 Y7384 [1,0,0,1,0,0|0,0,0]=2 95 B7R1.7 CCCNC1CC1 8890AE [1,0,0,1,0,0|2,0,0]=4 96 B7R1.24 C1CNOCCN1 9264AH [1,0,0,1,0,0|2,0,0]=4 97 B9R1.2 CCN1CCCC(Cl)C1 4431AE [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 N#C[C@@H]1CCC[C@@H](N)C1 3254AF [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 N[C@H]1CCC[C@H](CO)C1 8294AH [0,1,0,1,0,0|1,0,0]=3 100 B9R1.8 BrCCC1CCCCN1 8895AE [0,1,0,1,0,0|2,0,0]=4 101 B9R1.8 CCCC1CCCCN1 3606AB [0,1,0,1,0,0|2,0,0]=4 102 B9R1.8 COC[C@@H]1COCCN1 0762AC [0,1,0,1,0,0|2,0,0]=4 103 B9R1.8 COC[C@H]1COCCN1 1077AB [0,1,0,1,0,0|2,0,0]=4 104 B9R1.8 NCCC1CCCCN1 5054AD [0,1,0,1,0,0|2,0,0]=4 105 B9R1.8 NCCC1CNCCO1 3494AC [0,1,0,1,0,0|1,1,0]=4 106 B9R1.8 OCCC1CCCNC1 1431AC [0,1,0,1,0,0|1,0,0]=3 107 B9R1.12 CCCNC1CCCC1 8105AC [0,1,0,1,0,0|2,0,0]=4 108 B9R1.15 OC[C@@H]1CCNC[C@@H]1O 0933AB [0,1,0,1,0,0|0,1,0]=3 109 B9R1.33 COC[C@@H]1CCC[C@@H]1N 8410AH [0,1,0,1,0,0|1,0,0]=3 110 B9R1.33 COC[C@H]1CCC[C@H]1N 3926AJ [0,1,0,1,0,0|1,0,0]=3 111 B9R1.33 COC[C@H]1CCC[C@H]1N 8369AH [0,1,0,1,0,0|1,0,0]=3 112 B9R1.50 BrC1CCCCCCC1 7949AF [0,1,0,1,0,0|2,0,0]=4 113 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [0,1,0,1,0,0|1,0,1]=4 114 B9R1.89 N#CC1CCCCCC1 3690AB [0,1,0,1,0,0|2,0,0]=4 115 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 0224AP [0,0,0,2,0,0|2,0,0]=4 116 B9R2.39 OC1CC2C=CC1C2 X4118 [0,0,0,2,0,0|1,0,1]=4 117 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 4676AB [0,0,0,2,0,0|1,0,0]=3 118 B9R2.123 BrC1C2CCCCC12 2139AA [0,0,0,2,0,0|2,0,0]=4