0 B5R0.1 C#CCC(C)C 8172AJ [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(C)=CCBr Z1911 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(C)CCI X5313 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(C)CNN Z1645 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(C)OC=O 7262AF [0,0,0,0,0,0|1,1,1]=3 5 B5R0.1 CC(N)CCO Z2685 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 CN(C)CC=O 4924AA [0,0,0,0,0,0|2,1,1]=4 7 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 COC[C@@H](C)N W7467 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CSC=[N+](C)C 8446AL [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C[C@H](N)CCO W7371 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,1]=4 19 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|0,1,0]=2 33 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(=O)NC(C)C X8984 [0,1,0,0,0,0|0,1,2]=4 36 B6R0.2 CC(C)CC(C)N X3873 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(C)NC(N)=O X3415 [0,1,0,0,0,0|0,1,2]=4 38 B6R0.2 CC(C)OC(N)=O 7274AF [0,1,0,0,0,0|1,1,1]=4 39 B6R0.2 CN(C)CC(N)=S 1262AJ [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CC(C)C(N)=NO 3115AC [0,1,0,0,0,0|2,1,0]=4 42 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 COC(=N)C(C)C V5712 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 C=COCC(C)C 8720AJ [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)CN=C=O 6296AD [0,1,0,0,0,0|0,1,0]=2 46 B6R0.4 CC(C)SCCN 3448AF [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|2,0,1]=4 48 B6R0.5 C=CCC(C)(C)O 1796AJ [0,1,0,0,0,0|2,0,1]=4 49 B6R0.5 CC(C)(C)NC=O 8674AL [0,1,0,0,0,0|0,1,2]=4 50 B6R0.5 CC(C)(N)CCO 3154AE [0,1,0,0,0,0|1,1,1]=4 51 B6R0.5 CC(C)(O)CC#N 3965AD [0,1,0,0,0,0|2,0,1]=4 52 B6R0.5 CC(C)(O)CCBr W5746 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.5 CCCC(C)(C)C 5139AL [0,1,0,0,0,0|2,0,1]=4 54 B6R0.5 CCCC(C)(C)O 5708AL [0,1,0,0,0,0|2,0,1]=4 55 B6R0.5 CCOC(C)(C)C 7559AF [0,1,0,0,0,0|2,0,1]=4 56 B6R0.5 CNCC(C)(C)O 1773AJ [0,1,0,0,0,0|3,0,0]=4 57 B6R0.5 COCC(C)(C)O 1642AL [0,1,0,0,0,0|3,0,0]=4 58 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,1,0,0,0,0|1,0,1]=3 59 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|1,0,2]=4 60 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|2,0,1]=4 64 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|2,0,1]=4 65 B6R1.3 O=CNC1CC1 V6779 [0,0,0,1,0,0|0,1,2]=4 66 B6R1.3 S=C=NC1CC1 5743AE [0,0,0,1,0,0|0,0,0]=1 67 B6R1.5 CC1CC(=O)O1 7160AL [0,0,0,1,0,0|1,1,1]=4 68 B6R1.10 CC1(C)CNC1 5732AJ [0,0,0,1,0,0|3,0,0]=4 69 B6R1.10 CC1(C)COC1 1326AQ [0,0,0,1,0,0|3,0,0]=4 70 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 71 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,0,2]=4 72 B3R0.1 CCNO X5655 [2,0,0,0,0,0|0,1,1]=4 73 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,2]=4 74 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|1,0,1]=4 75 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|1,0,1]=4 77 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,1,1]=4 78 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|1,0,1]=4 79 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|0,0,2]=4 81 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|1,0,1]=4 82 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|1,0,1]=4 83 B5R0.4 CC(C)(C)CN 8004AA [1,1,0,0,0,0|1,0,1]=4 84 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|0,1,1]=4 85 B5R0.4 CC(C)(F)CBr 5101AJ [1,1,0,0,0,0|1,0,1]=4 86 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|0,1,1]=4 87 B5R0.4 CCC(C)(C)Br 5515AL [1,1,0,0,0,0|1,0,1]=4 88 B5R0.4 CCC(C)(C)Cl 5561AL [1,1,0,0,0,0|1,0,1]=4 89 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|0,1,1]=4 90 B5R0.5 CC(C)C(C)O 6096AL [1,1,0,0,0,0|0,1,1]=4 91 B5R0.5 CC(C)S(=O)[O-] 4057AH [1,1,0,0,0,0|1,1,0]=4 92 B5R0.5 CN(C)C(=S)S 7714AL [1,1,0,0,0,0|1,0,1]=4 93 B5R0.2 S=C=NCCBr 4566AD [1,1,0,0,0,0|0,0,0]=2 94 B7R0.3 CCC(C)CN=C=S 3700AE [0,2,0,0,0,0|0,0,0]=2 95 B7R0.3 COC(=O)CN=C=S 7159AD [0,2,0,0,0,0|1,0,1]=4 96 B7R0.3 S=C=NCC(Br)CBr 4767AE [0,2,0,0,0,0|1,0,0]=3 97 B7R0.5 CC(C)C(C)N=C=S 6785AD [0,2,0,0,0,0|0,0,0]=2 98 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.7 CCCC(C)N=C=S 6786AD [0,2,0,0,0,0|0,0,0]=2 100 B7R0.7 COCC(C)N=C=S V5502 [0,2,0,0,0,0|0,0,0]=2 101 B7R0.12 CCC(CC)N=C=S 6784AD [0,2,0,0,0,0|0,0,0]=2 102 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.7 S=C=NCC1CC1 Y9597 [0,1,0,1,0,0|0,0,0]=2