0 B5R0.1 C=CC[C@@H](C)O 1174AL [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC#C[C@H](C)O S982 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=C[Mg]Br 7963AJ [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(C)C[Mg]Cl 8723AJ [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(Cl)CCBr 7250AF [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(O)CC=O 7261AF [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CCCC(C)I 7327AF [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCO[PH](C)=O 8330AA [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CN(C)CCCl X8859 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CN(C)NC=O 3893AH [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 C[C@H](O)CC#N W1944 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 NC(=O)NC=O 6851AF [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C#C[C@@H](C)N 8949AH [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C#C[C@@H](C)N 8950AH [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C=C(Br)C=O 4598AD [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 CC(=O)OS V0446 [1,0,0,0,0,0|1,1,1]=4 16 B4R0.1 CC(C)=CCl R244 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(C)NO C506 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(Cl)CCl Y6563 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(O)CN 8099AL [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC[C@H](C)N 4197AL [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 O=CC(=O)[O-] 6894AF [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 CCCC[NH3+] 7121AF [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CCCC[O-] S459 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,0,0,0,0|3,0,0]=4 25 B4R0.2 CCNCC Y1600 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 CCSC#N 7036AF [1,0,0,0,0,0|1,1,1]=4 27 B4R0.2 CC\C=C\Br 3495AB [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 C\C=C\CN Q938 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 O=CCCF 2017AC [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 O=[AlH3]O[AlH3]=O 5460AF [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 O=[AlH3]O[AlH3]=O 5461AF [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 O=[AlH3]O[AlH3]=O 5462AF [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 O=[Bi]O[Bi]=O 5069AF [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 O=[Cr]O[Cr]=O 8502AF [1,0,0,0,0,0|3,0,0]=4 35 B4R0.2 O=[Fe]O[Fe]=O 8652AF [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 O=[Fe]O[Fe]=O 8653AF [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 O=[Fe]O[Fe]=O S350 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 O=[Ir]O[Ir]=O 8778AF [1,0,0,0,0,0|3,0,0]=4 39 B4R0.2 O=[La]O[La]=O X3877 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.2 O=[Nd]O[Nd]=O 8890AF [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 O=[Nd]O[Nd]=O 8891AF [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 O=[Nd]O[Nd]=O X3878 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 O=[Ni]O[Ni]=O 8904AF [1,0,0,0,0,0|3,0,0]=4 44 B4R0.2 O=[Rh]O[Rh]=O 4494AA [1,0,0,0,0,0|3,0,0]=4 45 B4R0.2 O=[Rh]O[Rh]=O Y1361 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 O=[Tm]O[Tm]=O 8936AF [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CC(CN)CCN 7844AA [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCC[C@@H](C)CO N835 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 CCOC(Br)CBr V0731 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 C\C=C\C(C)CC 6598AL [0,1,0,0,0,0|2,0,0]=3 51 B6R0.2 CC(=N)CC(C)=O 7397AF [0,1,0,0,0,0|2,0,1]=4 52 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,1,0,0,0,0|2,0,1]=4 53 B6R0.2 CC(C)=C=C(C)C 7761AF [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 CC(C)CC(=O)Cl V2138 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.2 CC(C)CC(=O)[O-] 7399AF [0,1,0,0,0,0|1,0,0]=2 56 B6R0.2 CC(C)CC(=O)[O-] 7400AF [0,1,0,0,0,0|1,0,0]=2 57 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [0,1,0,0,0,0|1,0,2]=4 58 B6R0.2 CC(C)SC(=N)N 2036AH [0,1,0,0,0,0|1,1,0]=3 59 B6R0.2 C[C@H](O)CC(=O)O Z4946 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.2 C\C(N)=C\C(N)=O 7954AA [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(C)C(Br)C=O 9932AB [0,1,0,0,0,0|1,0,0]=2 62 B6R0.4 CN(C)CCC=O 0848AC [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 CNCCC(C)C 5617AB [0,1,0,0,0,0|2,0,1]=4 64 B6R0.5 C=CC[N+](C)(C)C 3101AB [0,1,0,0,0,0|3,0,0]=4 65 B6R0.5 CC(C)(C)CCCl Y8557 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.5 CCCC(C)(C)N 5068AE [0,1,0,0,0,0|2,0,1]=4 67 B6R0.5 C[Si](C)(C)\C=C\Br 1063AL [0,1,0,0,0,0|2,1,0]=4 68 B6R1.2 CC1C=COC1 8769AA [0,0,0,1,0,0|1,0,1]=3 69 B6R1.2 OC1CC=CC1 X4956 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 OC1CCCO1 5572AJ [0,0,0,1,0,0|2,0,1]=4 71 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|2,0,1]=4 72 B6R1.3 O=CCC1CC1 8199AB [0,0,0,1,0,0|1,0,0]=2 73 B6R1.10 CC1(C)CCN1 Y6998 [0,0,0,1,0,0|2,0,1]=4 74 B3R0.1 CNOC 2107AA [2,0,0,0,0,0|1,0,1]=4 75 B3R0.1 C\C=C/Br 3212AL [2,0,0,0,0,0|1,0,1]=4 76 B3R0.1 C\C=C\Cl 4806AL [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 O=CO[Tl] 8298AF [2,0,0,0,0,0|1,0,0]=3 78 B3R0.1 O=NOO 1983AH [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 CC(=O)I 7009AL [2,0,0,0,0,0|1,0,1]=4 80 B3R0.2 CC(=O)[O-] 1597AH [2,0,0,0,0,0|1,0,1]=4 81 B3R0.2 CC(=O)[O-] 5296AF [2,0,0,0,0,0|1,0,1]=4 82 B3R0.2 CC(=O)[O-] 6840AF [2,0,0,0,0,0|1,0,1]=4 83 B3R0.2 CC(C)=O 5788AL [2,0,0,0,0,0|0,0,1]=3 84 B3R0.2 CC(C)N 8113AL [2,0,0,0,0,0|1,0,0]=3 85 B3R0.2 CC(C)O 7082AF [2,0,0,0,0,0|0,0,0]=2 86 B3R0.2 CC(Cl)Cl 9227AE [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 CC[C@H](C)C#N 1254AL [1,1,0,0,0,0|1,0,1]=4 88 B5R0.3 COC(=O)C=O Y1686 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.3 C[C@@H](CO)CBr 6877AC [1,1,0,0,0,0|0,0,2]=4 90 B5R0.4 CC(C)(C)N=O 9880AL [1,1,0,0,0,0|1,0,0]=3 91 B5R0.4 CC(C)(N)C#N E319 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.5 CC(=O)C(C)Br V0402 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.5 CC(=O)C(Cl)Cl 7020AF [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(C)C(C)N 4455AL [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 CC(O)C(=O)[O-] P973 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 CC(O)C(=O)[O-] Z1915 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 CC(O)C(=O)[O-] Z1916 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.5 CC(O)C(N)=O 7066AF [1,1,0,0,0,0|1,0,0]=3 99 B5R0.5 CN(C)C(=S)[S-] P141 [1,1,0,0,0,0|1,1,0]=4 100 B5R0.5 C[C@H](O)C(N)=O 4862AC [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 O=C(O)C(Cl)Br R838 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.2 C=C\C=C\CC 4582AL [1,1,0,0,0,0|2,0,0]=4 103 B5R0.2 CCO\C=C/Br 7961AD [1,1,0,0,0,0|1,0,0]=3 104 B5R0.2 COCCC=O Y8542 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.2 O=CCCC=O N715 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 C=CC(=O)C=C(C)C 5582AA [0,2,0,0,0,0|1,0,1]=4 107 B7R0.2 CC(C)CC(=O)CBr Y8593 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.2 CC(C)OC(=S)S[Na] 7245AF [0,2,0,0,0,0|0,1,0]=3 109 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [0,2,0,0,0,0|2,0,0]=4 110 B7R0.3 CCC(C)OCCO 1705AL [0,2,0,0,0,0|0,0,2]=4 111 B7R0.9 CC(=O)CC(C)(C)N 7543AF [0,2,0,0,0,0|1,0,0]=3 112 B7R0.9 C[N+](C)(C)CC(=O)Cl H261 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.9 C[N+](C)(C)CC(=O)[O-] H265 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,2,0,0,0,0|2,0,0]=4 115 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,2,0,0,0,0|2,0,0]=4 116 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,2,0,0,0,0|2,0,0]=4 117 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,2,0,0,0,0|2,0,0]=4 118 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,2,0,0,0,0|2,0,0]=4 119 B7R0.14 C=C(C=O)[Si](C)(C)C 6006AE [0,2,0,0,0,0|1,1,0]=4 120 B7R0.4 CC(=O)OCCC=O 9702AA [0,2,0,0,0,0|1,0,1]=4 121 B7R0.4 CCC\C=C\C(C)C 7959AF [0,2,0,0,0,0|2,0,0]=4 122 B7R0.6 CC(C)CO[N+](=O)[O-] 3474AL [0,2,0,0,0,0|1,0,0]=3 123 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|1,0,1]=4 124 B5R1.3 C=CC1CC1 3916AL [1,0,0,1,0,0|1,0,0]=3 125 B5R1.1 C1CCOC1 V2332 [1,0,0,1,0,0|1,0,1]=4 126 B5R1.1 C1CNOC1 4176AJ [1,0,0,1,0,0|2,0,0]=4 127 B7R1.2 CC1CCC(=O)C1 7470AF [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 CC1CC=CCC1 6594AL [0,1,0,1,0,0|2,0,0]=4 129 B7R1.10 N#CC1CC(=O)C1 Z4386 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.32 CC1(C)OC1(C)C 1420AQ [0,1,0,1,0,0|1,0,1]=4