0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|2,1,0]=3 3 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C=CCC(N)=O Y1568 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)CON 7310AJ [0,0,0,0,0,0|2,1,1]=4 10 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|1,1,2]=4 12 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CNCC(C)O 5343AD [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CNCC(F)F 8440AH [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CNOC(C)=O 8699AL [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 COCC(=N)N 1769AJ [0,0,0,0,0,0|2,1,0]=3 21 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|1,1,1]=3 22 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|0,1,2]=3 23 B5R0.1 CS(=O)CCN 4290AE [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CSCC(=N)N 1816AJ [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 C[C@@H](O)CC#N 1173AL [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|2,0,2]=4 31 B5R0.1 NOCC(=O)O 2959AB [0,0,0,0,0,0|2,1,0]=3 32 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 O=C(O)\C=C\I V7047 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(=N)NN 5131AB [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 43 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|0,0,0]=1 44 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|2,1,0]=4 49 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|2,1,0]=4 52 B4R0.1 N=C(N)CO X6638 [1,0,0,0,0,0|2,1,0]=4 53 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 NCC(=O)[O-] Z1943 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 C=CC[Pd]Cl G754 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|0,1,1]=3 61 B4R0.2 CCCSC U677 [1,0,0,0,0,0|0,0,1]=2 62 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 CSCCCl 7809AB [1,0,0,0,0,0|1,0,1]=3 65 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 C\C=C\SC AMTGC066 [1,0,0,0,0,0|0,0,1]=2 67 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|2,0,1]=4 68 B6R0.1 C#CCC(=O)OC 3698AB [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|0,0,0]=1 72 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|1,0,0]=2 73 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,2]=4 76 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CC[C@@H](N)COC 8948AH [0,1,0,0,0,0|1,1,1]=4 80 B6R0.1 CC[C@H](N)COC 9106AH [0,1,0,0,0,0|1,1,1]=4 81 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|1,0,2]=4 84 B6R0.1 COC(=O)CCCl X6204 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 COCC(=O)OC J70196 [0,1,0,0,0,0|0,1,0]=2 87 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,1,0,0,0,0|3,0,0]=4 88 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,0,0,0,0|2,0,0]=3 89 B6R0.2 CC(=O)SC(C)=O 7216AF [0,1,0,0,0,0|2,0,0]=3 90 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|3,0,0]=4 91 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|2,0,1]=4 92 B6R0.2 CC(C)CC(C)N I823 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.2 CC(N)CN(C)C 8452AC [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|3,0,0]=4 95 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|2,0,0]=3 96 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|3,0,0]=4 97 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,1,0,0,0,0|1,0,2]=4 99 B6R0.2 NC(=O)CC(=O)O 1571AB [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 C#CC(O)C(=O)O 5648AL [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 CC(=O)N(N)C#N R363 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 CC(CO)C(=O)O Z7389 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|0,1,2]=4 113 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|2,1,0]=4 114 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|0,0,0]=1 116 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|1,0,1]=3 119 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|3,0,0]=4 129 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|1,0,1]=3 131 B6R0.4 C#CCNC(N)=O W6702 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|2,0,0]=3 133 B6R0.4 C=C(C)CCCO 2774AL [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|2,0,1]=4 141 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|2,0,0]=3 142 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|2,0,0]=3 143 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|1,0,2]=4 146 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|2,0,1]=4 147 B6R0.4 CCCNC(N)=S 3447AF [0,1,0,0,0,0|2,1,0]=4 148 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|2,0,1]=4 150 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.4 CCNCC(C)O 2626AE [0,1,0,0,0,0|1,0,2]=4 152 B6R0.4 CNCCC(=O)O 5026AF [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 CNCCN(C)C J70105 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.4 COCCC(C)=O B939 [0,1,0,0,0,0|0,1,0]=2 155 B6R0.4 CSSCC(=O)O KMA0116 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.4 NC(=O)NCCCl 5576AL [0,1,0,0,0,0|3,0,0]=4 159 B6R0.4 NC(=O)OCCCl 7044AF [0,1,0,0,0,0|3,0,0]=4 160 B6R0.4 O=C(O)CCCS 7264AF [0,1,0,0,0,0|2,0,0]=3 161 B6R0.4 O=C([O-])C[N+]#C[K] X3794 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|2,0,1]=4 163 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|3,0,0]=4 164 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,0,0,0,0|3,0,0]=4 165 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 CC1=CSN=N1 Y8051 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|1,1,1]=4 170 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,1,1]=4 172 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|0,1,2]=4 173 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,1]=4 179 B6R1.2 NC1=NCCC1 3788AC [0,0,0,1,0,0|3,0,0]=4 180 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|1,1,1]=4 181 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|3,0,0]=4 182 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 O[C@@H]1CCSC1 1245AL [0,0,0,1,0,0|0,0,2]=3 186 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|0,0,2]=3 187 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|2,1,0]=4 188 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|1,0,2]=4 189 B6R1.3 COCC1CO1 1812AL [0,0,0,1,0,0|0,1,2]=4 190 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|0,1,2]=4 191 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|0,1,2]=4 192 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|2,0,1]=4 193 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|1,0,2]=4 194 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|2,0,0]=3 195 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.10 CC1(N)COC1 6470AA [0,0,0,1,0,0|1,1,1]=4 197 B6R1.10 CC1(N)COC1 W8972 [0,0,0,1,0,0|1,1,1]=4 198 B6R1.10 O=S1(=O)CCC1 V6677 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|0,1,0]=2 200 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,0,0,1,0,0|2,0,1]=4 201 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|2,0,0]=3 202 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,0,0,1,0,0|1,1,0]=3 203 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 204 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 205 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 208 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|0,1,0]=3 209 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|0,1,0]=3 210 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 211 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|2,0,0]=4 212 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|1,1,0]=4 214 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|1,0,0]=3 215 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,0]=2 216 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 217 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 218 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,1,1]=4 221 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 222 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,0,2]=4 223 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,1,1]=4 224 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 225 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 226 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,0]=3 229 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,1]=4 230 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 231 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|1,0,0]=3 232 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|0,1,1]=4 233 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|0,0,0]=2 234 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|0,0,2]=4 235 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 236 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|0,1,1]=4 237 B5R0.5 C[C@@H](O)C(=N)N X6061 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 239 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 240 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 241 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|2,0,0]=4 242 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|2,0,0]=4 243 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|2,0,0]=4 244 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|2,0,0]=4 245 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|2,0,0]=4 246 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|1,0,1]=4 247 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|0,1,1]=4 248 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|0,0,1]=3 249 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|0,1,1]=4 250 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,1]=4 251 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|0,1,1]=4 252 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|0,1,1]=4 253 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|0,0,1]=3 254 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|0,0,1]=3 255 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|0,1,1]=4 256 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|2,0,0]=4 257 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|2,0,0]=4 258 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,1]=4 259 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,2,0,0,0,0|1,0,1]=4 260 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,2,0,0,0,0|2,0,0]=4 263 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|2,0,0]=4 264 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|2,0,0]=4 265 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|1,0,0]=3 267 B7R0.2 CN(C)CC(=O)NN W6825 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,2,0,0,0,0|1,0,1]=4 269 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|1,0,1]=4 270 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,2,0,0,0,0|2,0,0]=4 271 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,1,0]=4 272 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|2,0,0]=4 273 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|2,0,0]=4 275 B7R0.3 C=C(CCl)OCOC 1799AL [0,2,0,0,0,0|1,1,0]=4 276 B7R0.3 C=CCNC(=O)CN 2048AD [0,2,0,0,0,0|1,0,1]=4 277 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|2,0,0]=4 278 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|2,0,0]=4 280 B7R0.3 CCNCC(=O)OC 2143AA [0,2,0,0,0,0|1,0,0]=3 281 B7R0.3 CCNCC(=O)OC 2988AC [0,2,0,0,0,0|1,0,0]=3 282 B7R0.3 CCOCC(=O)NN 2388AE [0,2,0,0,0,0|1,1,0]=4 283 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,0]=3 284 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|2,0,0]=4 285 B7R0.3 COC(=O)C#CCO 3414AB [0,2,0,0,0,0|1,0,1]=4 286 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|1,0,0]=3 289 B7R0.3 NCC(=O)NCCO 0947AF [0,2,0,0,0,0|2,0,0]=4 290 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,2,0,0,0,0|1,0,1]=4 291 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,0]=3 292 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|2,0,0]=4 293 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|1,1,0]=4 295 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,2,0,0,0,0|1,0,0]=3 296 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|2,0,0]=4 297 B7R0.5 NC(CCBr)C(=O)O E114 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|2,0,0]=4 301 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|2,0,0]=4 302 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,2,0,0,0,0|2,0,0]=4 303 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|2,0,0]=4 304 B7R0.7 CCNC(=O)CNC 2852AF [0,2,0,0,0,0|1,0,0]=3 305 B7R0.7 CCOC(=O)CNC 5920AA [0,2,0,0,0,0|1,0,0]=3 306 B7R0.7 CCSC(=O)SCC 7782AL [0,2,0,0,0,0|2,0,0]=4 307 B7R0.7 O=C(CCO)CCO 5879AB [0,2,0,0,0,0|2,0,0]=4 308 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|1,0,0]=3 309 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|2,0,0]=4 310 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,2,0,0,0,0|1,0,0]=3 311 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|1,0,0]=3 312 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|2,0,0]=4 313 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|2,0,0]=4 314 B7R0.10 COC(=O)C(O)CO 0209AP [0,2,0,0,0,0|2,0,0]=4 315 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|2,0,0]=4 316 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,1,0]=4 318 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|1,0,1]=4 319 B7R0.9 CC(=O)CC(F)(F)F 8006AD [0,2,0,0,0,0|2,0,0]=4 320 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,2,0,0,0,0|1,0,1]=4 323 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|1,0,0]=3 325 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|2,0,0]=4 326 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.13 CNC(C)(C)C(=O)O 5084AH [0,2,0,0,0,0|2,0,0]=4 329 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|1,1,0]=4 330 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|2,0,0]=4 331 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|2,0,0]=4 332 B7R0.4 C=CCCOC(C)=O 3121AL [0,2,0,0,0,0|1,0,1]=4 333 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|1,0,0]=3 335 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|1,0,1]=4 336 B7R0.4 CCCSCC(=O)O 6980AD [0,2,0,0,0,0|1,0,0]=3 337 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|0,1,0]=3 338 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,2,0,0,0,0|2,0,0]=4 339 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|2,0,0]=4 340 B7R0.4 COCC#CC(=O)O 2855AJ [0,2,0,0,0,0|1,1,0]=4 341 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.4 NC(=O)CSCCO 6778AD [0,2,0,0,0,0|1,0,0]=3 343 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,2,0,0,0,0|2,0,0]=4 344 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|2,0,0]=4 345 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,2,0,0,0,0|1,0,1]=4 346 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,0]=3 347 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,2,0,0,0,0|2,0,0]=4 348 B7R0.6 CC(=O)NNC(C)=O D302 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.6 CC(C)CCC(=O)O 9893AB [0,2,0,0,0,0|2,0,0]=4 351 B7R0.6 CC(C)NCC(N)=O V7257 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|1,0,1]=4 353 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,2,0,0,0,0|2,0,0]=4 354 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,1]=4 355 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 356 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|1,0,0]=3 357 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|0,0,1]=3 358 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|2,0,0]=4 359 B7R1.2 CN1CCC(=O)C1 B871 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|1,0,1]=4 362 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|1,0,1]=4 364 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|1,0,0]=3 365 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|2,0,0]=4 368 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|2,0,0]=4 369 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.3 ClC1=CCCCC1 5746AC [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 O=C1C=CCCO1 X2978 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|0,1,1]=4 373 B7R1.3 O=C1NCCCO1 V6397 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|2,0,0]=4 376 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|0,0,2]=4 377 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,1]=4 380 B7R1.4 O=C1CCCC1Br X5623 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|2,0,0]=4 383 B7R1.10 C=C1CC(CN)C1 3039AF [0,1,0,1,0,0|2,0,0]=4 384 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|2,0,0]=4 385 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|1,0,0]=3 387 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [0,1,0,1,0,0|0,1,0]=3 388 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|0,0,2]=4 389 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,1,0,1,0,0|2,0,0]=4 390 B7R1.20 CC(=O)CC1CC1 5730AB [0,1,0,1,0,0|1,0,0]=3 391 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|1,0,1]=4 392 B7R1.18 NC(=O)C1CCC1 F371 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|2,0,0]=4 396 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,1,0]=4 397 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|1,1,0]=4 398 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,1,0,1,0,0|0,1,0]=3 399 B7R1.19 CC(=O)C1(F)CC1 7062AE [0,1,0,1,0,0|1,0,0]=3 400 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 402 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|2,0,0]=4