0 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(=S)N(C)C 3685AL [0,0,0,0,0,0|2,0,2]=4 3 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 CC(N)C(C)O 7117AF [0,0,0,0,0,0|1,1,0]=2 5 B5R0.5 CC(O)C(=N)N 2094AL [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 CC(O)C(=O)O Y1768 [0,0,0,0,0,0|1,2,1]=4 7 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 BrCC(Br)Br X2956 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|0,0,0]=1 14 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,1,1]=4 15 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 16 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,1,1]=4 23 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|3,0,0]=4 24 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|0,1,1]=3 29 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,0]=3 31 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|0,1,1]=3 32 B6R0.3 CNC(=O)C(C)Br 9099AE [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 CNC(=O)C(C)N V5134 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,1,1]=4 36 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|0,1,1]=3 37 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,0,0|0,2,1]=4 39 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,1,0,0,0,0|2,0,0]=3 40 B6R0.7 CC(C)C(C)(C)C 5081AL [0,1,0,0,0,0|2,0,0]=3 41 B6R0.7 CC(C)C(C)(C)N Y5738 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.7 CC(C)S(C)(=O)=O 8108AL [0,1,0,0,0,0|2,1,0]=4 43 B6R0.7 CC(C)[Si](C)(C)Cl 8728AJ [0,1,0,0,0,0|2,1,0]=4 44 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,1,0,0,0,0|2,1,0]=4 45 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|0,2,1]=4 46 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,0,0,0,1|2,0,0]=3 47 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,0,1|2,0,0]=3 48 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 49 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 51 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 52 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 54 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,1,0]=4 55 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|2,0,0]=4 56 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,1,0]=4 57 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|0,1,1]=4 58 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 59 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,1,1]=4 60 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|1,0,1]=4 61 B5R0.1 CC(Br)CC#N 6005AL [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|1,0,0]=3 63 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|0,2,0]=4 64 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|1,0,0]=3 66 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|1,0,0]=3 67 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,1,1]=4 68 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|1,0,0]=3 69 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,1,0]=3 70 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|2,0,0]=4 73 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|1,1,0]=4 74 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,1,1]=4 75 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,1,1]=4 76 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,0,2]=4 77 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 79 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,0]=3 80 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|0,1,1]=4 81 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,1,0]=3 82 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,0,0]=2 83 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|1,0,0]=3 84 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|2,0,0]=4 86 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,1]=4 88 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,1]=4 89 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 90 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,0]=3 91 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,0,0,0,1|2,0,0]=4 92 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,1,0,0,0,1|2,0,0]=4 93 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|2,0,0]=4 94 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|2,0,0]=4 95 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|2,0,0]=4 96 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|0,2,0]=4 97 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|0,2,0]=4 98 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|0,2,0]=4 99 B7R0.14 CC(C)(C)[C@H](N)CO X9000 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 101 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|0,2,0]=4 102 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|1,0,1]=4 103 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 104 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|1,0,0]=3 105 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|0,1,0]=3 106 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|1,1,0]=4 108 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|0,2,0]=4 109 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|2,0,0]=4 110 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|2,0,0]=4 111 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,0]=3 112 B7R1.2 CC1CCC(C)O1 Z5431 [0,0,0,1,0,1|2,0,0]=4 113 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,0,0,1,0,1|1,1,0]=4 114 B7R1.2 NC1CCC(O)C1 6561AA [0,0,0,1,0,1|1,1,0]=4 115 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,0,0,1,0,1|1,1,0]=4 116 B7R1.20 CC(C)NC1CC1 V4644 [0,0,0,1,0,1|2,0,0]=4 117 B7R1.32 CC1(C)CC1(C)C 4327AL [0,0,0,1,0,1|2,0,0]=4 118 B7R1.32 CC1(C)OC1(C)C 1420AQ [0,0,0,1,0,1|2,0,0]=4 119 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 121 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|2,0,0]=4 122 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|1,1,0]=4 123 B7R1.4 NC1COCC1O 7148AA [0,1,0,1,0,0|1,1,0]=4 124 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|1,1,0]=4 125 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|1,1,0]=4 126 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,1,0,0|1,1,0]=4 127 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|1,1,0]=4 128 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|0,2,0]=4 129 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|0,2,0]=4 130 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|2,0,0]=4 131 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.26 CC(C)(O)C1CC1 Y4733 [0,1,0,1,0,0|1,1,0]=4 133 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,0,2|2,0,0]=4 134 B7R0.6 CC(C)CNC(C)C 2335AE [0,0,0,0,0,2|2,0,0]=4 135 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,0,0,0,0,2|0,2,0]=4