0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=COC(C)C 3476AL [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(C)CON 7310AJ [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CNCC(C)O 5343AD [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C[C@@H](O)CC#N 1173AL [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|2,1,1]=4 19 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C#CC(C)N 3873AJ [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C#C[C@@H](C)O 4141AL [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C#C[C@H](C)N 9107AH [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C#C[C@H](C)O 4183AL [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|1,1,1]=4 32 B4R0.2 C=C=CCO 0432AQ [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 CCCSC U677 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|1,0,2]=4 43 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CCOC(C)CN Y4465 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|1,1,1]=4 46 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 C[C@H](CO)CCO 1249AL [0,1,0,0,0,0|1,1,1]=4 48 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|2,0,1]=4 49 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|2,0,1]=4 50 B6R0.2 CC(C)CC(C)N I823 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,1,0,0,0,0|2,1,0]=4 52 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|1,1,1]=4 54 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 C=C(Cl)CN=C=S S894 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 CC(C)CCC=O Y1162 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(C)NCC#N Y7768 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|1,0,2]=4 62 B6R0.4 CC(C)OCCN 2664AC [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|2,0,1]=4 67 B6R0.5 C=CCC(C)(C)C 6312AL [0,1,0,0,0,0|2,0,1]=4 68 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,0,0,0,0|2,0,1]=4 69 B6R0.5 CC(C)(C)CC#N X4017 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.5 CC(C)(C)NC#N 7313AF [0,1,0,0,0,0|1,0,2]=4 71 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|2,0,1]=4 72 B6R0.5 CCNC(C)(C)C 3737AE [0,1,0,0,0,0|1,0,2]=4 73 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|3,0,0]=4 74 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|1,0,2]=4 75 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,1,1]=4 78 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|1,1,1]=4 79 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.3 BrC#CC1CC1 5100AJ [0,0,0,1,0,0|2,0,1]=4 82 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|1,0,2]=4 83 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|1,0,2]=4 84 B6R1.3 CCNC1CC1 4401AJ [0,0,0,1,0,0|1,0,2]=4 85 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|2,0,1]=4 86 B6R1.3 O=C=NC1CC1 X4805 [0,0,0,1,0,0|0,1,0]=2 87 B6R1.3 OCCC1CC1 8510AD [0,0,0,1,0,0|1,1,1]=4 88 B6R1.10 CC1(C)CCN1 Y7008 [0,0,0,1,0,0|1,0,2]=4 89 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 90 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 91 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|1,0,1]=4 93 B3R0.2 CC(Br)Br 4360AL [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,1,0]=4 95 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,1]=4 96 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,1]=4 97 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|1,0,1]=4 98 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,0,2]=4 100 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 101 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.3 CN[C@@H](C)CO X7940 [1,1,0,0,0,0|0,0,2]=4 103 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 104 B5R0.4 CC(C)(Br)C=O 5926AA [1,1,0,0,0,0|0,1,1]=4 105 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|1,0,1]=4 106 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|1,0,1]=4 107 B5R0.2 C=CCN=C=O 4527AD [1,1,0,0,0,0|0,1,1]=4 108 B5R0.2 COCN=C=S 6701AD [1,1,0,0,0,0|0,0,0]=2 109 B5R0.2 [N-]=[N+]=NCCN 9854AL [1,1,0,0,0,0|2,0,0]=4 110 B7R0.7 C\C=C\C(=O)N=C=S 6475AE [0,2,0,0,0,0|1,0,1]=4 111 B7R0.4 CC(C)CCN=C=O 5158AD [0,2,0,0,0,0|0,1,0]=3 112 B7R0.6 CN(C)\C=N\C(N)=S 0304AF [0,2,0,0,0,0|1,0,1]=4 113 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|0,0,2]=4 114 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|0,0,2]=4 115 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,0,2]=4 116 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|0,0,2]=4 117 B7R1.6 S=C=NC1CCC1 6570AE [0,1,0,1,0,0|0,0,0]=2 118 B7R1.20 NC(=S)NC1CC1 V6652 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.20 NC(N)=NC1CC1 5423AD [0,1,0,1,0,0|1,0,1]=4 120 B7R1.14 CC1(C)COC=N1 6315AL [0,1,0,1,0,0|0,1,1]=4