0 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,0,0|1,0,1]=2 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|1,0,2]=3 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|2,1,1]=4 7 B5R0.5 CN(C)C(=N)N 3681AL [0,0,0,0,0,0|3,0,1]=4 8 B5R0.5 CN(C)C(N)=S 8335AE [0,0,0,0,0,0|2,0,2]=4 9 B5R0.5 CN(C)P(Cl)Cl 6866AF [0,0,0,0,0,0|4,0,0]=4 10 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 BrCC(Br)Br X2956 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,3]=4 15 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|0,0,2]=3 16 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|0,1,1]=3 30 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|1,0,1]=3 34 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|0,1,1]=3 35 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,0,1]=3 37 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|1,1,1]=4 38 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|1,1,1]=4 39 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.3 CNC(=O)C(C)Br 9099AE [0,1,0,0,0,0|1,1,1]=4 41 B6R0.3 CNC(=O)C(C)N V5134 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,1,1]=4 45 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|0,1,1]=3 46 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|1,1,1]=4 47 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|0,1,2]=4 48 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,0,0|0,1,1]=3 49 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,0,0|0,1,1]=3 50 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,1,0,0,0,0|2,0,0]=3 51 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,1,0,0,0,0|2,1,0]=4 52 B6R0.7 CC(C)(C)[S@@]([O-])=S X2035 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,0,0|1,1,1]=4 54 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,0,0|1,1,1]=4 55 B6R0.7 CC(C)C(C)(C)C 5081AL [0,1,0,0,0,0|1,0,0]=2 56 B6R0.7 CC(C)C(C)(C)N Y5738 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,1,0,0,0,0|2,1,0]=4 58 B6R0.7 CC(C)S(C)(=O)=O 8108AL [0,1,0,0,0,0|1,1,0]=3 59 B6R0.7 CC(C)[Si](C)(C)Cl 8728AJ [0,1,0,0,0,0|1,1,0]=3 60 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,1,0,0,0,0|2,1,0]=4 61 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|1,1,1]=4 62 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,0,1|2,0,1]=4 63 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,0,0,0,1|1,0,0]=2 64 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,0,1|1,0,0]=2 65 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 66 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 68 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,1,0]=4 72 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 73 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,1,0]=4 74 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|0,1,1]=4 75 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|0,0,1]=3 76 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,1,1]=4 77 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|0,0,2]=4 78 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 CC(Br)CC#N 6005AL [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|0,0,2]=4 81 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|0,0,0]=2 82 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,1,0]=4 83 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|0,0,1]=3 84 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|0,0,0]=2 85 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,1,1]=4 87 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|0,0,0]=2 88 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,1,0]=3 89 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|0,0,1]=3 91 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,0]=3 92 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|0,1,0]=3 93 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,1,1]=4 94 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,1,1]=4 95 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,0,2]=4 96 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,0]=2 97 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 98 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,0]=3 99 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|0,1,1]=4 100 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,1,0]=3 101 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,0,0]=2 102 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|0,0,0]=2 103 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 CO[SiH](C)OC I516 [1,1,0,0,0,0|1,1,0]=4 106 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,1]=3 107 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,1]=3 108 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,1]=3 109 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 110 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|1,0,1]=4 111 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,0]=3 112 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 113 B7R0.2 C#CC(O)CC(C)C 6792AL [0,1,0,0,0,1|0,1,1]=4 114 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,1|1,0,1]=4 115 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,1,0,0,0,1|1,0,1]=4 116 B7R0.2 CC(CO)CN(C)C 0615AE [0,1,0,0,0,1|1,1,0]=4 117 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,0,0,0,1|1,0,0]=3 118 B7R0.2 CN(C)CC(O)CCl 4719AE [0,1,0,0,0,1|1,1,0]=4 119 B7R0.2 CN(C)CC(O)CN V6256 [0,1,0,0,0,1|1,1,0]=4 120 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,1,0,0,0,1|0,1,1]=4 121 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,1,0,0,0,1|1,0,0]=3 122 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [0,1,0,0,0,1|2,0,0]=4 123 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|2,0,0]=4 124 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|1,1,0]=4 125 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|0,1,1]=4 126 B7R0.5 CCOC(=N)C(C)C 8345AC [0,2,0,0,0,0|1,0,1]=4 127 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|1,0,0]=3 128 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,0]=3 129 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,0]=3 130 B7R0.10 CNC(=O)C(C)NC 7051AE [0,2,0,0,0,0|0,1,1]=4 131 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|0,1,1]=4 132 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|1,1,0]=4 133 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|1,1,0]=4 134 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|1,1,0]=4 135 B7R0.13 CN(C)C(C)(C)C#N V4518 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.13 CN(C)C(C)(C)CN V7691 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.13 COC(C)(C)C(C)=O X6059 [0,2,0,0,0,0|0,1,1]=4 138 B7R0.14 CC(C#N)[Si](C)(C)C 1907AJ [0,2,0,0,0,0|1,1,0]=4 139 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|0,1,1]=4 140 B7R0.14 CC(C)(C)[C@H](N)CO X9000 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.14 CC(CO)C(F)(F)F 5962AB [0,2,0,0,0,0|2,0,0]=4 142 B7R0.14 CNC(=O)C(C)(C)N 0533AF [0,2,0,0,0,0|0,1,1]=4 143 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|1,0,0]=3 144 B7R0.14 C\C(=N/O)C(C)(C)O 6059AL [0,2,0,0,0,0|0,1,1]=4 145 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|0,1,0]=3 146 B7R0.17 CC(C)(N)C(F)(F)F 0046AF [0,2,0,0,0,0|2,0,0]=4 147 B7R0.17 CC(C)(O)C(F)(F)F 4499AE [0,2,0,0,0,0|2,0,0]=4 148 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,2]=4 149 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 150 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|1,0,0]=3 151 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,0,0]=3 152 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 153 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|1,1,0]=4 154 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|1,1,0]=4 155 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 156 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|2,0,0]=4 157 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|1,0,0]=3 158 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,0,0]=2 159 B7R1.2 CC1CCC(C)O1 Z5431 [0,0,0,1,0,1|1,0,0]=3 160 B7R1.2 CN1CCC(Br)C1 1332AA [0,0,0,1,0,1|2,0,0]=4 161 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,0,0,1,0,1|2,0,0]=4 162 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,0,0,1,0,1|1,1,0]=4 163 B7R1.2 NC1CCC(O)C1 6561AA [0,0,0,1,0,1|1,1,0]=4 164 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,0,0,1,0,1|1,1,0]=4 165 B7R1.20 CC(C)NC1CC1 V4644 [0,0,0,1,0,1|1,0,0]=3 166 B7R1.32 CC1(C)CC1(C)C 4327AL [0,0,0,1,0,1|1,0,0]=3 167 B7R1.32 CC1(C)OC1(C)C 1420AQ [0,0,0,1,0,1|1,0,0]=3 168 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,1,0,0|2,0,0]=4 169 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 170 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|1,1,0]=4 172 B7R1.4 NC1COCC1O 7148AA [0,1,0,1,0,0|1,1,0]=4 173 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|1,1,0]=4 174 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|1,1,0]=4 175 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,1,0,0|1,1,0]=4 176 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|1,1,0]=4 177 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|1,1,0]=4 178 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|1,1,0]=4 179 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|1,0,0]=3 180 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|1,1,0]=4 181 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.23 OCC1CC1(F)F X8433 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.26 CC(C)(O)C1CC1 Y4733 [0,1,0,1,0,0|0,1,0]=3 184 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,2|1,0,1]=4 185 B7R0.6 CC(=O)NNC(C)C 6165AB [0,0,0,0,0,2|0,1,1]=4 186 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,0,0,0,2|0,1,1]=4 187 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,0,2|1,0,0]=3 188 B7R0.6 CC(C)CNC(C)C 2335AE [0,0,0,0,0,2|1,0,0]=3 189 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,0,0,0,0,2|1,1,0]=4