0 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)CC(C)N I823 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(N)CN(C)C 8452AC [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C#CCC(C)O 6664AL [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C=C(C)CCBr Z4377 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 C=COC(C)C 3476AL [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC#CC(C)C 6601AL [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(Br)CC#N 6005AL [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CCCl 7326AF [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(C)CON 7310AJ [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)C[Mg]Br 8722AJ [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CC(O)CON 3604AB [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CCOC(C)C 7879AL [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CCSC(C)C 7880AL [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CNCC(C)C 8603AL [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CNCC(C)O 5343AD [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 COCC(C)N 0442AC [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 COC[C@H](C)O W4988 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CS(=O)CCN 4290AE [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CSCC(=N)N 1816AJ [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 C[C@@H](O)CC#N 1173AL [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C[C@H](N)CCO 3502AC [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 NOCC(=O)O 2959AB [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.2 C#CC(O)CC(C)C 6792AL [0,1,0,0,0,0|1,0,1]=3 46 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,0|2,0,0]=3 47 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,1,0,0,0,0|0,0,1]=2 48 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 CC(O)CC(=O)NN 8247AD [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 CCC(N)CC(=O)O W4035 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CN(C)CC(=O)NN W6825 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.2 CN(C)CC(O)CCl 4719AE [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 CN(C)CC(O)CN V6256 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,0|1,0,2]=4 60 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 COC(C)CC(=O)O 0132AA [0,1,0,0,0,0|0,0,0]=1 62 B7R0.2 COC(C)CC(C)O 5636AH [0,1,0,0,0,0|1,0,1]=3 63 B7R0.2 NCC(N)CC(=O)O 5843AA [0,1,0,0,0,0|1,0,0]=2 64 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.9 C=C(Br)C[Si](C)(C)C 4026AL [0,1,0,0,0,0|2,1,0]=4 66 B7R0.9 C=C(Br)C[Si](C)(C)C J90904 [0,1,0,0,0,0|2,1,0]=4 67 B7R0.9 CC(=O)CC(F)(F)F 8006AD [0,1,0,0,0,0|3,0,0]=4 68 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,0,0|0,0,0]=1 70 B7R0.9 CN(C)CC(C)(C)N 9307AJ [0,1,0,0,0,0|3,0,0]=4 71 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,1,0,0,0,0|3,0,0]=4 72 B7R0.9 NC(=O)CC(F)(F)F 6340AB [0,1,0,0,0,0|3,0,0]=4 73 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,0|2,0,1]=4 75 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,0,0|1,0,0]=2 76 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,1,0,0,0,0|2,0,1]=4 77 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,0|0,0,0]=1 78 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|1,0,1]=3 79 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,1,0,0|2,1,0]=4 80 B7R1.2 CN1CCC(=O)C1 B871 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.2 NC1CNC(=O)C1 4028AC [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 O=C1C=C(Br)CO1 V6658 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 O=C1OCC(Cl)O1 E933 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,0,0,1,0,0|0,0,0]=1 90 B7R1.16 O=S1(=O)CC(Br)C1 A897 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.20 CC(=O)CC1CC1 5730AB [0,0,0,1,0,0|1,0,0]=2 92 B7R1.20 NC(=S)NC1CC1 V6652 [0,0,0,1,0,0|2,1,0]=4 93 B7R1.20 NC(N)=NC1CC1 5423AD [0,0,0,1,0,0|3,0,0]=4 94 B7R1.32 CC1(C)CC1(C)C 4327AL [0,0,0,1,0,0|2,0,1]=4 95 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,1,0|2,0,0]=3 96 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,1,0|1,0,2]=4 97 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,1,0|2,0,0]=3 98 B5R0.5 CC(N)C(C)O 7117AF [0,0,0,0,1,0|2,0,1]=4 99 B5R0.5 CC(O)C(=N)N 2094AL [0,0,0,0,1,0|3,0,0]=4 100 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,0,0,0,1,0|3,0,0]=4 101 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,1,0|2,0,0]=3 102 B5R0.5 NC(=O)C(F)Br 3265AE [0,0,0,0,1,0|3,0,0]=4 103 B5R0.5 NC(=O)C(F)I 3275AE [0,0,0,0,1,0|3,0,0]=4 104 B5R0.5 O=C(O)C(=O)O 7001AF [0,0,0,0,1,0|2,0,1]=4 105 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,0,0,0,1,0|2,0,0]=3 106 B5R0.5 O=C(O)C(F)Br 8446AJ [0,0,0,0,1,0|2,0,0]=3 107 B5R0.5 O=C(O)C(F)Cl 4068AE [0,0,0,0,1,0|2,0,0]=3 108 B5R0.5 O=C([O-])C(F)Br 8443AE [0,0,0,0,1,0|2,0,1]=4 109 B5R0.5 O=C([O-])C(F)I 0009AD [0,0,0,0,1,0|2,0,1]=4 110 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,1|2,0,0]=3 111 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,1|2,0,0]=3 112 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,1|2,0,1]=4 113 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,1|1,0,1]=3 114 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [0,0,0,0,0,1|1,0,2]=4 115 B7R0.6 CC(C)CCC(=O)O 9893AB [0,0,0,0,0,1|0,0,0]=1 116 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,0,0,0,1|2,0,1]=4 117 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,0,1|2,0,1]=4 118 B7R0.6 CC(C)NCC(N)=O V7257 [0,0,0,0,0,1|1,0,0]=2 119 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [0,0,0,0,0,1|1,0,2]=4 120 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,1|1,0,0]=2 121 B7R0.6 N=C(N)NCC(=O)O 4588AD [0,0,0,0,0,1|2,0,1]=4 122 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [0,0,0,0,0,1|3,0,0]=4 123 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|0,0,2]=4 124 B4R0.1 C=NN(C)C 7943AL [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 CC(O)CF 7060AF [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 CSC(C)C 8107AL [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 C[C@@H](O)CN V4887 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 C[C@H](O)CCl E885 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 NCC(=O)[O-] Z1943 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 CCCCN 7306AL [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 CCCSC U677 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,1]=4 140 B6R0.1 C#CC(O)CCC X7102 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 C#CCC(=O)OC 3698AB [1,1,0,0,0,0|0,0,2]=4 142 B6R0.1 CC#CC(=O)OC X7106 [1,1,0,0,0,0|0,0,2]=4 143 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|0,1,0]=3 145 B6R0.1 CCCC(C)CC 7810AF [1,1,0,0,0,0|1,0,1]=4 146 B6R0.1 CCCC(C)CO 1207AA [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 CCCC(O)CC 7557AF [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 CCC\C(N)=N\O 8990AD [1,1,0,0,0,0|1,0,0]=3 149 B6R0.1 CC[C@H](C)CCO 4202AL [1,1,0,0,0,0|0,0,1]=3 150 B6R0.1 CNC(=O)CCN 4757AE [1,1,0,0,0,0|2,0,0]=4 151 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 CNCC(C)OC 1691AF [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 COC(=O)CCCl X6204 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.1 COCC(=O)OC J70196 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.1 C[C@H](CO)CCO 1249AL [1,1,0,0,0,0|0,0,1]=3 156 B6R0.3 C#CC(O)C(=O)O 5648AL [1,1,0,0,0,0|0,0,2]=4 157 B6R0.3 C=C(CBr)C(=O)O 1795AL [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CC(=O)C(N)CO 6844AC [1,1,0,0,0,0|2,0,0]=4 159 B6R0.3 CC(C)C(O)C#N 4772AD [1,1,0,0,0,0|1,0,1]=4 160 B6R0.3 CC(C)[C@H](N)CO 8725AA [1,1,0,0,0,0|0,0,1]=3 161 B6R0.3 CC(CO)C(=O)O Z7389 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 CCC(C)C(C)C 5239AL [1,1,0,0,0,0|1,0,1]=4 164 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,1,0,0,0,0|0,0,1]=3 165 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|0,0,0]=2 168 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|0,0,0]=2 169 B6R0.3 CSC(C)C(=O)O 6148AE [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,1,0,0,0,0|0,0,2]=4 175 B6R0.3 NC(=O)C(Br)CBr 5213AL [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 NC(=O)C(Cl)CCl 5220AL [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 NC(=O)C(N)CO 2131AB [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 NCC(N)C(=O)O 3293AL [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 NC[C@H](N)C(=O)O 0179AB [1,1,0,0,0,0|1,0,0]=3 180 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [1,1,0,0,0,0|1,0,0]=3 181 B6R0.3 O=C(O)C(Cl)CO 0455AQ [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 O=C(O)C(O)CCl 2399AL [1,1,0,0,0,0|1,0,0]=3 183 B6R0.3 O=C([O-])C(O)CO 7310AL [1,1,0,0,0,0|1,0,1]=4 184 B6R0.4 C#CCCC(=O)[O-] 4056AH [1,1,0,0,0,0|0,0,2]=4 185 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 C=C(C)CCCO 2774AL [1,1,0,0,0,0|2,0,0]=4 187 B6R0.4 C=CCCC(C)C 6791AL [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|2,0,0]=4 190 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 CC(C)CCC=O Y1162 [1,1,0,0,0,0|0,0,0]=2 192 B6R0.4 CC(C)CCCCl 6814AE [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 CC(C)CCCN 7575AF [1,1,0,0,0,0|1,0,1]=4 194 B6R0.4 CC(C)NCC#N Y7768 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.4 CC(C)NCCCl 9576AB [1,1,0,0,0,0|1,0,1]=4 196 B6R0.4 CC(C)OCCN 2664AC [1,1,0,0,0,0|1,0,1]=4 197 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 CCCCC(=O)Br 7391AF [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 CCCCC(C)C 5734AL [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CCCCC(C)O 9467AB [1,1,0,0,0,0|1,0,1]=4 201 B6R0.4 CCCNC(C)C 7560AH [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CCCNC(N)=S 3447AF [1,1,0,0,0,0|1,1,0]=4 203 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 CCCSC(C)C 8111AL [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CCNCC(=O)O X5133 [1,1,0,0,0,0|0,0,0]=2 206 B6R0.4 CCNCC(C)O 2626AE [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 CNCCC(=O)O 5026AF [1,1,0,0,0,0|0,0,0]=2 208 B6R0.4 COCCC(C)=O B939 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 CSSCC(=O)O KMA0116 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 C\C=C\CC(C)C 6798AL [1,1,0,0,0,0|1,0,0]=3 211 B6R0.4 NC(=O)CCCCl Y1653 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.4 NC(=O)NCCCl 5576AL [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 NC(=O)OCCCl 7044AF [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 O=C(O)CCCS 7264AF [1,1,0,0,0,0|0,0,0]=2 215 B6R0.5 C=CCC(C)(C)C 6312AL [1,1,0,0,0,0|1,0,0]=3 216 B6R0.5 C=COC(C)(C)C 9102AJ [1,1,0,0,0,0|2,0,0]=4 217 B6R0.5 CC(C)(C)CC#N X4017 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.5 CC(C)(O)CCCl 0206AB [1,1,0,0,0,0|1,0,1]=4 219 B6R0.5 CCNS(=O)(=O)O 4020AE [1,1,0,0,0,0|2,0,0]=4 220 B6R0.5 CNCC(C)(C)C 0063AE [1,1,0,0,0,0|2,0,0]=4 221 B6R0.5 C[N+](C)(C)CCO 2907AC [1,1,0,0,0,0|1,0,1]=4 222 B6R0.5 O=P(O)(O)CCBr 7025AC [1,1,0,0,0,0|2,0,0]=4 223 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,1,0|1,0,0]=3 224 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,1,0|1,0,0]=3 225 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,1,0,0,1,0|2,0,0]=4 226 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,1,0|0,0,0]=2 227 B6R0.7 CC(C)(N)C(N)=O 5432AJ [0,1,0,0,1,0|1,0,0]=3 228 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,1,0|1,0,0]=3 229 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,1,0,0,1,0|1,0,1]=4 230 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,1,0,0,1,0|2,0,0]=4 231 B8R0.9 C=CC(N)CCC(=O)O SYN5658 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,0,0,0,1|1,0,0]=3 233 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,0,0,0,1|1,0,0]=3 234 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,1,0,0,0,1|1,0,0]=3 235 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,1|1,0,1]=4 236 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,0,0,0,1|1,0,0]=3 237 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,0,0,0,1|1,0,1]=4 238 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,1,0,0,0,1|2,0,0]=4 239 B8R0.9 COC(=O)CNC(C)=O 3516AL [0,1,0,0,0,1|1,0,1]=4 240 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [0,1,0,0,0,1|1,0,0]=3 241 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,0,1|1,0,0]=3 242 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [0,1,0,0,0,1|1,0,1]=4 243 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,0,1|1,0,0]=3 244 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,1|1,0,0]=3 245 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,1,0,0,0,1|1,0,1]=4 246 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,1,0,0,0,1|0,0,0]=2 247 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,0,1|1,0,0]=3 248 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,0,0,0,1|0,0,0]=2 249 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,1,0,0,0,1|1,0,0]=3 250 B8R0.29 CC(C)CNS(=O)(=O)Cl 6827AJ [0,1,0,0,0,1|1,0,1]=4 251 B8R0.29 CC(C)CNS(C)(=O)=O 7559AH [0,1,0,0,0,1|1,0,1]=4 252 B8R0.29 CS(=O)(=O)NCC(=O)O 1528AE [0,1,0,0,0,1|2,0,0]=4 253 B8R0.2 CCC(C)C(=O)C(=O)O 6099AL [0,2,0,0,0,0|0,0,1]=3 254 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [0,2,0,0,0,0|0,0,0]=2 256 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,2,0,0,0,0|1,0,0]=3 257 B8R0.2 COC(=O)C(=O)C(C)C 7036AJ [0,2,0,0,0,0|0,0,1]=3 258 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,2,0,0,0,0|0,0,2]=4 259 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,2,0,0,0,0|1,0,1]=4 260 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,2,0,0,0,0|1,0,1]=4 261 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O X4361 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.2 COC(=O)[C@H](O)C(C)C 9860AL [0,2,0,0,0,0|0,0,0]=2 263 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O 5560AA [0,2,0,0,0,0|1,0,1]=4 264 B8R0.5 C#CC[C@@H](N)CC(=O)O 3836AB [0,2,0,0,0,0|1,0,0]=3 265 B8R0.5 C#CC[C@H](N)CC(=O)O 3835AB [0,2,0,0,0,0|1,0,0]=3 266 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,2,0,0,0,0|2,0,0]=4 267 B8R0.5 C=CC[C@@H](N)CC(=O)O Z5979 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.5 C=CC[C@H](N)CC(=O)O Z5808 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,2,0,0,0,0|2,0,0]=4 270 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,2,0,0,0,0|2,0,0]=4 271 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,2,0,0,0,0|1,0,0]=3 272 B8R0.5 CCOC(=O)CN(C)C 3848AB [0,2,0,0,0,0|1,0,0]=3 273 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,2,0,0,0,0|2,0,0]=4 274 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,2,0,0,0,0|2,0,0]=4 275 B8R0.5 COCC(=O)CC(C)=O W7487 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.19 CCC(C)CC(O)CC 7996AF [0,2,0,0,0,0|1,0,1]=4 278 B8R0.19 CCC(C)NC(=O)CCl 0194AE [0,2,0,0,0,0|2,0,0]=4 279 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,2,0,0,0,0|2,0,0]=4 280 B8R0.19 CCN(C)CC(=O)NN 0866AD [0,2,0,0,0,0|2,0,0]=4 281 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,2,0,0,0,0|1,0,0]=3 282 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,2,0,0,0,0|1,0,0]=3 283 B8R0.24 CC(C)(C)NC(=O)CN 8528AE [0,2,0,0,0,0|2,0,0]=4 284 B8R0.24 CC(C)(C)OC(=O)CI X6904 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.24 COC(=O)CC(F)(F)F 6331AD [0,2,0,0,0,0|2,0,0]=4 286 B8R0.34 C=C(C)CC(C)(C)CC 5254AL [0,2,0,0,0,0|2,0,0]=4 287 B8R0.34 CCC(C)(O)CC(C)C 5937AL [0,2,0,0,0,0|1,0,1]=4 288 B8R0.34 CCS(=O)(=O)CC(=O)O 4233AD [0,2,0,0,0,0|2,0,0]=4 289 B8R0.34 COC(C)(C)CC(C)O 7818AF [0,2,0,0,0,0|1,0,1]=4 290 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.27 CC(C(=O)O)C(F)(F)F 4925AB [0,2,0,0,0,0|2,0,0]=4 292 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,2,0,0,0,0|0,0,0]=2 293 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [0,2,0,0,0,0|0,0,0]=2 294 B8R0.27 CC(C)(F)C(N)C(=O)O 3294AE [0,2,0,0,0,0|0,0,0]=2 295 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,2,0,0,0,0|0,0,0]=2 296 B8R0.33 CC(C)(C)CC(C)(C)O 5255AL [0,2,0,0,0,0|1,0,1]=4 297 B8R0.18 CC(C)[C@H](NO)C(=O)O Q384 [0,2,0,0,0,0|0,0,0]=2 298 B8R0.18 CN[C@@H](C(=O)O)C(C)C Z5749 [0,2,0,0,0,0|0,0,0]=2 299 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.37 CC(C)C(C)(O)C(=O)O 4613AB [0,2,0,0,0,0|0,0,0]=2 301 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O X0222 [0,2,0,0,0,0|1,0,0]=3 302 B6R1.2 BrC1=CCCC1 Z8081 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 CC1CCNC1 X9461 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.2 CC1CCOC1 6124AL [1,0,0,1,0,0|0,0,1]=3 306 B6R1.2 CC1COCO1 6593AL [1,0,0,1,0,0|1,0,1]=4 307 B6R1.2 C[C@@H]1CCNC1 1585AB [1,0,0,1,0,0|1,0,1]=4 308 B6R1.2 C[C@H]1CCNC1 W4034 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|2,0,0]=4 310 B6R1.2 NC1=NCCC1 3788AC [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 NC1CC=CC1 W9476 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 NC1CCOC1 W9158 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.2 S=C1CCCN1 7821AD [1,0,0,1,0,0|1,1,0]=4 314 B6R1.2 S=C1NCCO1 1519AL [1,0,0,1,0,0|1,1,0]=4 315 B6R1.3 CCCC1CO1 4468AL [1,0,0,1,0,0|1,0,1]=4 316 B6R1.3 ICCC1CC1 8514AH [1,0,0,1,0,0|1,0,1]=4 317 B6R1.3 O=C=NC1CC1 X4805 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.3 OCCC1CC1 8510AD [1,0,0,1,0,0|0,0,1]=3 319 B6R1.5 CN1CC(O)C1 8767AC [1,0,0,1,0,0|1,0,1]=4 320 B6R1.5 NC1CC(O)C1 0869AA [1,0,0,1,0,0|1,0,1]=4 321 B6R1.5 O=C1CC(Br)C1 8034AD [1,0,0,1,0,0|1,0,0]=3 322 B6R1.10 CC1(C)CCN1 Y7008 [1,0,0,1,0,0|1,0,1]=4 323 B6R1.10 O=S1(=O)CCC1 V6677 [1,0,0,1,0,0|1,0,1]=4 324 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|2,0,0]=4 325 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|1,0,0]=3 326 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [1,0,0,1,0,0|1,0,1]=4 327 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,0,1|1,0,0]=3 328 B8R1.3 CN1CCC(=O)CC1 A394 [0,0,0,1,0,1|2,0,0]=4 329 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,1,0,1|2,0,0]=4 330 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,0,1,0,1|2,0,0]=4 331 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,0,1|2,0,0]=4 332 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,0,1,0,1|1,0,0]=3 333 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,0,1,0,1|1,0,0]=3 334 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,0,1,0,1|1,0,0]=3 335 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,0,1,0,1|1,0,0]=3 336 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,0,1,0,1|1,0,0]=3 337 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [0,0,0,1,0,1|1,0,0]=3 338 B8R1.23 O=C(O)C1CC(F)C1 2538AD [0,0,0,1,0,1|1,0,0]=3 339 B8R1.23 O=C1CC(C(=O)O)N1 Y4879 [0,0,0,1,0,1|1,0,1]=4 340 B8R1.23 O=C1C[C@@H](C(=O)O)N1 1251AL [0,0,0,1,0,1|1,0,1]=4 341 B8R1.35 N=C(N)SCC1CC1 3978AJ [0,0,0,1,0,1|2,0,0]=4 342 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,1|0,0,1]=3 343 B8R1.35 O=C(O)CNC1CC1 0701AA [0,0,0,1,0,1|0,0,0]=2 344 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,1|1,0,0]=3 345 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,1|1,0,0]=3 346 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,0,0,1,0,1|0,0,0]=2 347 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,1|1,0,0]=3 348 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,0,0,1,0,1|0,0,0]=2 349 B8R1.51 CC1COC(C)(C)O1 5088AL [0,0,0,1,0,1|1,0,1]=4 350 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,0,1,0,1|1,0,0]=3 351 B8R1.77 O=C(O)C1CC1(Cl)Cl 5151AE [0,0,0,1,0,1|2,0,0]=4 352 B8R1.1 NC[C@H]1CCC(=O)N1 X5489 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|1,0,0]=3 354 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|1,0,0]=3 358 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,1,0,0|1,0,0]=3 359 B8R1.4 CC1CC(O)CCN1 1810AJ [0,1,0,1,0,0|1,0,1]=4 360 B8R1.4 CC1CNCC(=O)N1 3610AJ [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CC1COCC(=O)N1 V7159 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|2,0,0]=4 364 B8R1.4 CN1CCCC(=O)C1 W6919 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.34 CC(=O)CC1COC1 0990AD [0,1,0,1,0,0|1,0,0]=3 368 B8R1.34 CC(=O)OC1CNC1 9055AE [0,1,0,1,0,0|2,0,0]=4 369 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,1,0,1,0,0|0,0,2]=4 370 B8R1.34 O=C(O)CC1COC1 3631AD [0,1,0,1,0,0|0,0,0]=2 371 B8R1.50 CC1=NOC(=O)C1C W3412 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.54 O=C(O)C(=O)C1CC1 Z4141 [0,1,0,1,0,0|0,0,1]=3 373 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,2,0,0|1,0,1]=4 374 B8R0.28 C=C(C)CCCC(=O)O X3484 [0,0,0,0,0,2|0,0,2]=4 375 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,2|1,0,0]=3 376 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [0,0,0,0,0,2|1,0,1]=4 377 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,0,0,0,2|1,0,0]=3