0 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(=O)C(N)CO 6844AC [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CS)C(=O)O Y3236 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CCC(=O)C(C)Br 5539AL [0,0,0,0,0,0|1,1,2]=4 5 B6R0.3 CCC(=O)C(C)S 5675AL [0,0,0,0,0,0|0,2,2]=4 6 B6R0.3 CCC(Br)C(N)=O 5224AE [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CCC(C)C(C)=O U423 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 CCC(C)C(C)C 5239AL [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,0,0,0,0,0|1,1,0]=2 10 B6R0.3 CCC(S)C(C)=O 9471AJ [0,0,0,0,0,0|0,0,0]=0 11 B6R0.3 CCN(C)C(=N)N 8784AC [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 CSC(C)C(=O)O 6148AE [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CSC(C)C(C)=O 6125AL [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,0,0,0,0,0|1,0,2]=3 21 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 NC(=O)C(N)CO 2131AB [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 O=C(O)C(O)CCl 2399AL [0,0,0,0,0,0|2,1,0]=3 31 B6R0.3 O=C([O-])C(O)CO 7310AL [0,0,0,0,0,0|2,1,0]=3 32 B5R0.1 C=C(C)CON 4430AJ [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(C)=CCCl 7671AJ [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(C)CCCl 7326AF [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 CCOC(C)C 7879AL [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCSC(=N)N 2034AH [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CCSC(C)C 7880AL [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 CNCC(C)C 8603AL [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 COC[C@H](C)O W4988 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CSCC(=N)N 1816AJ [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 C[C@H](N)CCO 3502AC [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C\C(Cl)=C\CN 9653AD [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 C\C(Cl)=C\CO X6578 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 N#CCC(=O)[O-] 7007AF [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 NC(=O)CCO 8063AJ [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|2,0,0]=3 53 B5R0.3 C=C[C@H](O)CO 1303AL [1,0,0,0,0,0|1,1,1]=4 54 B5R0.3 CCC(=S)OC R571 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 CCC(C)CCl U282 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CCC(C)NN 9798AD [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 CCC(Cl)CCl 4449AL [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CCC(O)C#N 7246AF [1,0,0,0,0,0|1,1,1]=4 59 B5R0.3 CCC(O)CBr 4766AL [1,0,0,0,0,0|1,1,1]=4 60 B5R0.3 CCC(S)CS 4441AL [1,0,0,0,0,0|0,1,1]=3 61 B5R0.3 CC[C@H](C)CCl 4194AL [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|1,0,1]=3 63 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|1,0,1]=3 64 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|1,0,1]=3 65 B5R0.5 C=C(C)C(C)C 5230AL [1,0,0,0,0,0|2,0,0]=3 66 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,0,0,0,0,0|1,1,1]=4 67 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,0,0,0,0,0|1,1,1]=4 68 B5R0.5 CC(=O)C(C)F 0085AF [1,0,0,0,0,0|1,0,0]=2 69 B5R0.5 CC(=S)N(C)C 3685AL [1,0,0,0,0,0|2,1,0]=4 70 B5R0.5 CC(N)C(C)O 7117AF [1,0,0,0,0,0|1,0,2]=4 71 B5R0.5 CC(O)C(=N)N 2094AL [1,0,0,0,0,0|2,1,0]=4 72 B5R0.5 CC(O)C(=O)O Y1768 [1,0,0,0,0,0|1,1,0]=3 73 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,0,0,0,0,0|2,0,0]=3 74 B5R0.5 NC(=O)C(F)Br 3265AE [1,0,0,0,0,0|3,0,0]=4 75 B5R0.5 NC(=O)C(F)I 3275AE [1,0,0,0,0,0|3,0,0]=4 76 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,0,0,0,0,0|3,0,0]=4 77 B5R0.5 O=C(O)C(F)Br 8446AJ [1,0,0,0,0,0|3,0,0]=4 78 B5R0.5 O=C(O)C(F)Cl 4068AE [1,0,0,0,0,0|3,0,0]=4 79 B5R0.5 O=C([O-])C(F)Br 8443AE [1,0,0,0,0,0|3,0,0]=4 80 B5R0.5 O=C([O-])C(F)Cl 8442AE [1,0,0,0,0,0|3,0,0]=4 81 B5R0.5 O=C([O-])C(F)I 0009AD [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 CC(CCN)N(C)C 6615AE [0,1,0,0,0,0|3,0,0]=4 84 B7R0.5 CC(CCO)N(C)C 9228AD [0,1,0,0,0,0|3,0,0]=4 85 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,1,0,0,0,0|1,1,0]=3 86 B7R0.5 CCNC(C)C(N)=O 7697AD [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 CCSC(C)C(=O)O 6924AD [0,1,0,0,0,0|2,0,0]=3 88 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 COCC(N)C(C)C 9904AH [0,1,0,0,0,0|2,0,1]=4 90 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 NCCC(N)C(=O)O W7673 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,1,0,0,0,0|2,0,0]=3 95 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 C=CC(C)C(C)CC 5904AL [0,1,0,0,0,0|2,0,1]=4 97 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,0,0,0,0|0,1,1]=3 98 B7R0.10 CCC(=O)C(O)CC 8871AL [0,1,0,0,0,0|0,1,0]=2 99 B7R0.10 CCC(C)C(C)CC 5907AL [0,1,0,0,0,0|2,0,1]=4 100 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,1,0,0,0,0|2,0,0]=3 101 B7R0.10 CNC(=O)C(C)NC 7051AE [0,1,0,0,0,0|2,0,0]=3 102 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,1,0,0,0,0|2,0,0]=3 103 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|2,0,1]=4 104 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,1,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)C(F)CO 0323AC [0,1,0,0,0,0|2,0,0]=3 106 B7R0.10 COC(=O)C(N)CCl W5534 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.10 COC(=O)C(O)CN 7006AJ [0,1,0,0,0,0|1,1,0]=3 108 B7R0.10 COC(C)C(=O)NN 2016AF [0,1,0,0,0,0|3,0,0]=4 109 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,1,0,0,0,0|1,0,2]=4 110 B7R0.13 CC(C)(CN)C(=O)O 9909AA [0,1,0,0,0,0|3,0,0]=4 111 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.13 COC(C)(C)C(C)=O X6059 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,1,0,0,0,0|3,0,0]=4 114 B7R0.15 CCC(OC)C(=O)O 8292AB [0,1,0,0,0,0|1,1,0]=3 115 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,1,0,0,0,0|2,1,0]=4 116 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,0|1,0,1]=3 117 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,0,0|3,0,0]=4 118 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,1,0,0,0,0|1,1,1]=4 119 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,1,0,0,0,0|2,0,1]=4 120 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 BrC1CCCC1Br 1288AQ [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 BrC1CCCC1Br 3089AB [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 NN1CCCC1=O 0452AB [0,0,0,1,0,0|2,0,0]=3 124 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,0,0,1,0,0|1,0,2]=4 125 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 O=C1CCC=C1Br 8037AC [0,0,0,1,0,0|1,0,2]=4 127 B7R1.4 O=C1CCCC1Cl W7923 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.4 O=C1NCC[C@H]1O W8410 [0,0,0,1,0,0|1,1,0]=3 129 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,0,0,1,0,0|0,1,2]=4 130 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,0,1,0,0|2,0,1]=4 131 B7R1.18 N=C(N)C1CCC1 9638AJ [0,0,0,1,0,0|3,0,0]=4 132 B7R1.18 NC(=O)C1CCN1 Z9521 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.18 NC(=O)C1CNC1 1496AC [0,0,0,1,0,0|3,0,0]=4 134 B7R1.18 NC(=O)C1CNC1 Z4019 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.18 O=C(O)C1CCN1 0741AC [0,0,0,1,0,0|2,0,0]=3 136 B7R1.18 O=C(O)C1CCO1 3540AC [0,0,0,1,0,0|1,1,0]=3 137 B7R1.22 CCC(N)C1CC1 7479AD [0,0,0,1,0,0|2,0,1]=4 138 B7R0.2 C=C(C)CC(C)CC 5312AL [0,0,0,0,0,1|2,0,0]=3 139 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,0,0,0,0,1|1,0,2]=4 140 B7R0.2 CCC(C)CC(C)C 5322AL [0,0,0,0,0,1|2,0,1]=4 141 B7R0.2 CCC(N)CC(=O)O 2363AL [0,0,0,0,0,1|2,0,0]=3 142 B7R0.2 CCN(C)CC(C)=O 9608AC [0,0,0,0,0,1|2,0,0]=3 143 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,0,0,0,0,1|2,0,0]=3 144 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,0,0,0,0,1|2,0,0]=3 145 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,0,0,0,0,1|2,0,1]=4 146 B7R0.2 COC(C)CC(=O)O 0132AA [0,0,0,0,0,1|3,0,0]=4 147 B7R0.2 NCC(N)CC(=O)O 5843AA [0,0,0,0,0,1|3,0,0]=4 148 B4R0.1 C=CC(C)C 7308AF [2,0,0,0,0,0|1,0,1]=4 149 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 CC(=O)NBr 6848AF [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(S)CS 4476AL [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CSC(C)C 8107AL [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|1,0,0]=3 162 B4R0.2 CCCON 6597AE [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 CCCSC U677 [2,0,0,0,0,0|1,0,0]=3 164 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.2 CSCCBr Y1764 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,1]=3 167 B6R0.1 C#CCC(=O)OC 3698AB [1,1,0,0,0,0|0,0,2]=4 168 B6R0.1 C=CC(C)CCC 6092AL [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CC#CC(=O)OC X7106 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|0,0,0]=2 172 B6R0.1 CCCC(Br)CC 3975AB [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 CCCC(C)CC 7810AF [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 CCCC(C)CO 1207AA [1,1,0,0,0,0|0,0,2]=4 175 B6R0.1 CCCC(O)CC 7557AF [1,1,0,0,0,0|0,0,2]=4 176 B6R0.1 CCC[C@@H](N)CO 2554AC [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CCNC(=O)CBr 5060AE [1,1,0,0,0,0|1,0,0]=3 178 B6R0.1 CCNC(=O)CN 8793AD [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 CCOC(=N)CC 8352AC [1,1,0,0,0,0|2,0,0]=4 180 B6R0.1 CCSC(=O)CC 8960AL [1,1,0,0,0,0|1,0,0]=3 181 B6R0.1 CNC(=O)CCCl 2983AE [1,1,0,0,0,0|1,0,0]=3 182 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|1,0,0]=3 183 B6R0.1 CNCC(=O)NC V5990 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.1 COC(=O)CCN 5700AB [1,1,0,0,0,0|1,0,0]=3 185 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,1,0,0,0,0|1,0,1]=4 186 B6R0.2 CC(=O)SC(C)=O 7216AF [1,1,0,0,0,0|1,0,1]=4 187 B6R0.2 CC(C)CC(C)Br 3157AB [1,1,0,0,0,0|1,0,1]=4 188 B6R0.2 CC(C)CC(C)C 7809AF [1,1,0,0,0,0|1,0,1]=4 189 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [1,1,0,0,0,0|2,0,0]=4 190 B6R0.2 CN(C)CC(=O)[O-] 9593AA [1,1,0,0,0,0|2,0,0]=4 191 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.4 C#CCCC(=O)[O-] 4056AH [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 C#CCNC(C)=O 3665AL [1,1,0,0,0,0|0,0,2]=4 194 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 C=CCCC(=C)C 5696AL [1,1,0,0,0,0|1,0,1]=4 196 B6R0.4 CC(=O)CCCBr W5938 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 CC(=O)SCC#N 6370AE [1,1,0,0,0,0|1,0,1]=4 200 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 CC(C)CCCCl 6814AE [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 CCCCC(=O)Br 7391AF [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 CCCCC(C)Br 5535AL [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CCCCC(C)C 5734AL [1,1,0,0,0,0|1,0,1]=4 206 B6R0.4 CCCCC(C)Cl 5578AL [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 CCCCC(C)N 7573AF [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CCCCC(C)O 9467AB [1,1,0,0,0,0|0,0,2]=4 209 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.4 CCOCC(C)N 0535AD [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC\C=C\C(=O)O 6805AA [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 CSCCC(=O)Cl 6126AL [1,1,0,0,0,0|1,0,0]=3 213 B6R0.5 CS(=O)(=O)CCBr 5490AJ [1,1,0,0,0,0|2,0,0]=4 214 B6R0.8 CCC(C)(N)CC 1117AE [1,1,0,0,0,0|1,0,1]=4 215 B6R0.9 CCC(CC)NC 7289AJ [1,1,0,0,0,0|1,0,1]=4 216 B6R0.9 CCC(CC)NN 1078AD [1,1,0,0,0,0|1,0,1]=4 217 B6R0.9 CCC(CN)OC 8133AC [1,1,0,0,0,0|2,0,0]=4 218 B6R0.9 CCC(CN)OC X2088 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.9 CCC(CO)OC 5682AL [1,1,0,0,0,0|1,1,0]=4 220 B6R0.9 CCC(OC)OC 8873AL [1,1,0,0,0,0|1,1,0]=4 221 B6R0.7 CC(=O)C(C)(C)Br Y1567 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.7 CC(=O)C(C)(C)O X0229 [1,1,0,0,0,0|0,1,0]=3 223 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [1,1,0,0,0,0|2,0,0]=4 224 B6R0.7 CC(C)(N)C(N)=O 5907AD [1,1,0,0,0,0|2,0,0]=4 225 B6R0.7 CC(C)S(C)(=O)=O 8108AL [1,1,0,0,0,0|2,0,0]=4 226 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,1,0,0,0,1|2,0,0]=4 227 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,1,0,0,0,1|2,0,0]=4 228 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,1,0,0,0,1|1,0,0]=3 229 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,1,0,0,0,1|1,0,0]=3 230 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,0,0,0,1|1,1,0]=4 231 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,1,0,0,0,1|2,0,0]=4 232 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,1,0,0,0,1|2,0,0]=4 234 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,0,1|2,0,0]=4 235 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [0,2,0,0,0,0|1,0,1]=4 237 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [0,2,0,0,0,0|1,0,1]=4 238 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,2,0,0,0,0|1,0,0]=3 239 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,2,0,0,0,0|1,0,0]=3 240 B8R0.3 CN(CCO)C(=O)CN 2090AD [0,2,0,0,0,0|2,0,0]=4 241 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.3 COCC(Br)C(=O)OC V4873 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,2,0,0,0,0|0,1,1]=4 244 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,2,0,0,0,0|2,0,0]=4 245 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,2,0,0,0,0|2,0,0]=4 246 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,2,0,0,0,0|1,1,0]=4 247 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [0,2,0,0,0,0|2,0,0]=4 248 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [0,2,0,0,0,0|2,0,0]=4 249 B8R0.8 NOCC[C@H](N)C(=O)O 6738AB [0,2,0,0,0,0|2,0,0]=4 250 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,2,0,0,0,0|1,1,0]=4 251 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,2,0,0,0,0|2,0,0]=4 252 B8R0.13 COC(=O)C(C)(Br)CBr 1735AE [0,2,0,0,0,0|2,0,0]=4 253 B8R0.13 COC(=O)C(C)(C)CN 2027AB [0,2,0,0,0,0|2,0,0]=4 254 B8R0.20 CCC(OC)C(=O)NN 8098AC [0,2,0,0,0,0|1,1,0]=4 255 B8R0.20 COC(=O)C(CN)CN Z4762 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.36 CCC(N)(CC)C(=O)O V9173 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.27 CC(C)(C)[C@H](N)C(=O)O V9295 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,2,0,0,0,0|2,0,0]=4 260 B8R0.18 CC(C)[C@@H](CN)C(=O)O 5651AC [0,2,0,0,0,0|2,0,0]=4 261 B8R0.18 CC(C)[C@H](CN)C(=O)O 0748AB [0,2,0,0,0,0|2,0,0]=4 262 B8R0.18 CC(C)[C@H](CN)C(=O)O 5355AA [0,2,0,0,0,0|2,0,0]=4 263 B8R0.18 CC(C)[C@H](NO)C(=O)O Q384 [0,2,0,0,0,0|1,1,0]=4 264 B8R0.18 CCC(C(=O)O)N(C)C 5509AD [0,2,0,0,0,0|2,0,0]=4 265 B8R0.18 CNC(C(=O)O)C(C)C Z5785 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [0,2,0,0,0,0|2,0,0]=4 267 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|1,0,0]=3 268 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|0,0,2]=4 269 B6R1.2 CC1=NNCC1 6440AD [1,0,0,1,0,0|2,0,0]=4 270 B6R1.2 CC1CCCN1 0591AQ [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 CC1CCCS1 7972AJ [1,0,0,1,0,0|0,1,1]=4 272 B6R1.2 C[C@@H]1CCCN1 V2030 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|1,0,1]=4 274 B6R1.2 FC1CCCC1 7941AL [1,0,0,1,0,0|1,0,1]=4 275 B6R1.2 NN1CCCC1 8436AA [1,0,0,1,0,0|2,0,0]=4 276 B6R1.3 CCCC1CO1 4468AL [1,0,0,1,0,0|0,0,2]=4 277 B6R1.10 O=S1(=O)CCC1 V6677 [1,0,0,1,0,0|2,0,0]=4 278 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|1,0,0]=3 279 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|2,0,0]=4 280 B6R1.6 O=CC1COC1 5573AA [1,0,0,1,0,0|2,0,0]=4 281 B8R1.1 CCC1COC(=O)N1 5157AD [0,0,0,1,0,1|2,0,0]=4 282 B8R1.1 CCC1CSC(C)=N1 5718AL [0,0,0,1,0,1|1,1,0]=4 283 B8R1.1 NCC1CCC(=O)N1 X3339 [0,0,0,1,0,1|2,0,0]=4 284 B8R1.1 O=C1CCC(CO)C1 W1896 [0,0,0,1,0,1|2,0,0]=4 285 B8R1.1 O=C1CCC(CO)N1 9405AB [0,0,0,1,0,1|2,0,0]=4 286 B8R1.4 CC1CC(=O)CCN1 1072AC [0,0,0,1,0,1|2,0,0]=4 287 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,0,0,1,0,1|1,0,0]=3 288 B8R1.4 CC1COCC(=O)N1 V7159 [0,0,0,1,0,1|2,0,0]=4 289 B8R1.4 CN1CCCC(=O)C1 9933AH [0,0,0,1,0,1|2,0,0]=4 290 B8R1.4 CN1CCCC(=O)C1 9934AH [0,0,0,1,0,1|2,0,0]=4 291 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,0,0,1,0,1|2,0,0]=4 292 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,0,0,1,0,1|2,0,0]=4 293 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,0,0,1,0,1|2,0,0]=4 294 B8R1.4 NC1CCNC(=O)C1 X9664 [0,0,0,1,0,1|2,0,0]=4 295 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,0,0,1,0,1|0,1,1]=4 296 B8R1.34 CC(=O)OC1CNC1 9055AE [0,0,0,1,0,1|2,0,0]=4 297 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.5 CC1NCCNC1=O 1693AB [0,1,0,1,0,0|2,0,0]=4 299 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|2,0,0]=4 300 B8R1.5 CN1CCNCC1=O 7723AJ [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,1,0,0|1,0,0]=3 303 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,1,0,0|1,0,0]=3 304 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|1,0,1]=4 306 B8R1.5 O=C1CCCCC1Br X5630 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,1,0,0|1,0,0]=3 308 B8R1.5 O=C1CCOCC1F W7452 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,1,0,0|1,0,0]=3 310 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.7 CC(=O)N1CCCC1 4743AL [0,1,0,1,0,0|2,0,0]=4 312 B8R1.7 NC(=O)C1CCNC1 Z4774 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [0,1,0,1,0,0|2,0,0]=4 315 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,1,0,0|2,0,0]=4 316 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [0,1,0,1,0,0|1,1,0]=4 317 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,1,0,1,0,0|1,1,0]=4 318 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,1,0,1,0,0|2,0,0]=4 319 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,1,0,1,0,0|2,0,0]=4 320 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,1,0,1,0,0|2,0,0]=4 321 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,1,0,1,0,0|2,0,0]=4 322 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,1,0,1,0,0|2,0,0]=4 324 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.54 NC(C(=O)O)C1CC1 7918AA [0,1,0,1,0,0|2,0,0]=4 326 B8R1.78 NC1(C(=O)O)CNC1 6694AA [0,1,0,1,0,0|2,0,0]=4 327 B8R1.11 O=C1CCCN1CO 7398AF [0,1,0,1,0,0|1,1,0]=4 328 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,1,0,0|1,0,0]=3 329 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,1,0,0|1,0,0]=3 330 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,1,0,1,0,0|2,0,0]=4 332 B8R1.39 CC1(C(=O)NN)CC1 8813AE [0,1,0,1,0,0|2,0,0]=4 333 B8R1.39 COC(=O)C1(C)CO1 1431AQ [0,1,0,1,0,0|2,0,0]=4 334 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|2,0,0]=4 335 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,1,0,1,0,0|1,0,0]=3 336 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,1,0,0|1,0,1]=4 337 B8R1.63 CCC1(C(=O)O)CC1 9835AH [0,1,0,1,0,0|2,0,0]=4 338 B8R1.63 NCC1(C(=O)O)CC1 4114AD [0,1,0,1,0,0|2,0,0]=4 339 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,1,0,1,0,0|2,0,0]=4 340 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,0,0,0,0,2|0,1,1]=4 341 B8R0.9 CCC(=O)COC(C)=O X5648 [0,0,0,0,0,2|0,1,1]=4 342 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,0,0,0,0,2|1,0,0]=3