0 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(C)=CB(O)O D3007 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CN(C)CC(N)=S D69472 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|0,0,3]=4 15 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CN(C)CC=O D39943 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CN(C)NC=O D66358 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 C\C(N)=C\C#N A60547 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|0,0,0]=1 33 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,0,0,0,0|2,1,0]=4 44 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,0,0|0,0,2]=3 46 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,0,0|0,0,3]=4 47 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|0,0,2]=3 50 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|0,0,2]=3 51 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 CC1=CC(I)=NN1 I26594 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 CC1=CC(N)=NN1 A11614 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 CC1=CC(N)=NO1 A12655 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 CC1=COC(N)=N1 A2053 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,1,0,0|1,1,1]=4 71 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 CC1=NNC(I)=C1 K40122 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.2 CC1=NNC(N)=C1 M40220 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 CC1=NNC(O)=C1 M0907 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1=NOC(N)=C1 A37936 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.2 CC1=NSC(I)=C1 I6114 [0,0,0,1,0,0|2,1,0]=4 79 B7R1.2 CC1=NSC(N)=C1 M65783 [0,0,0,1,0,0|2,1,0]=4 80 B7R1.2 CN1C=C(O)C=N1 M38839 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|1,0,1]=3 84 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.2 NC1=CC(=O)NN1 A0899 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 NC1=NNC(O)=C1 A11039 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,1,0,0|2,1,0]=4 97 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 OC1=NSC(Cl)=C1 C37755 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|0,0,2]=3 100 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|0,0,2]=3 101 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|0,0,2]=3 102 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|0,0,2]=3 103 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|0,0,2]=3 110 B5R0.5 C=C(F)C(=O)O F39831 [0,0,0,0,1,0|1,0,1]=3 111 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,1,0|1,0,1]=3 112 B5R0.5 CC(C)B(O)O P39893 [0,0,0,0,1,0|1,0,2]=4 113 B5R0.5 CC(C)C(=N)N B40303 [0,0,0,0,1,0|2,0,1]=4 114 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,1,0|1,0,1]=3 115 B5R0.5 CC(C)C(N)=S M3101 [0,0,0,0,1,0|1,1,1]=4 116 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,0,0,1,0|1,0,2]=4 117 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,1,0|1,0,2]=4 118 B5R0.5 CN(C)C(=S)Cl D8332 [0,0,0,0,1,0|2,1,0]=4 119 B5R0.5 CN(N)C(N)=O M1991 [0,0,0,0,1,0|3,0,0]=4 120 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,1,0|1,0,1]=3 121 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,1,0|1,0,1]=3 124 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,1,0|1,0,1]=3 125 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,1,0|2,0,0]=3 126 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,1,0|2,0,0]=3 127 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,1|2,0,1]=4 128 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,1|2,0,1]=4 129 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,1|2,0,0]=3 130 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,1|2,0,1]=4 131 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,1|2,0,0]=3 132 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,1|2,0,0]=3 133 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,1|1,0,1]=3 134 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,0,0,0,0,1|2,0,1]=4 135 B7R0.6 NC(=O)CCC(=O)O A63078 [0,0,0,0,0,1|2,0,1]=4 136 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,1|2,0,1]=4 137 B4R0.1 C=NN(C)C D66909 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 CC(N)=NO H37897 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.1 C#C\C(C)=C/CO M43300 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 145 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.3 C=C(CBr)C(=O)O B40169 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.3 CC(C)\C(N)=N\O H39948 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|0,0,2]=4 157 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|0,0,2]=4 158 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.3 CN(C)C(=O)CO H40267 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|0,0,2]=4 172 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|0,0,0]=2 177 B6R0.5 C[Si](C)(C)\C=C\I K60897 [1,1,0,0,0,0|1,1,0]=4 178 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,1,0,0,1,0|1,0,1]=4 179 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,1,0,0,1,0|0,0,2]=4 180 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,1,0,0,1,0|0,0,2]=4 181 B6R0.7 CC(C)(C)C(N)=O T40403 [0,1,0,0,1,0|1,0,1]=4 182 B6R0.7 CC(C)(F)C(=O)O F60900 [0,1,0,0,1,0|0,0,1]=3 183 B6R0.7 CC(C)(O)C(N)=O H40266 [0,1,0,0,1,0|1,0,1]=4 184 B6R0.7 CC(F)(F)C(=O)O D39849 [0,1,0,0,1,0|1,0,1]=4 185 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,1,0,0,0,1|1,0,1]=4 186 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,1|1,0,1]=4 187 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,1|1,0,1]=4 188 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,1|1,0,0]=3 189 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,1|1,0,1]=4 190 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,0,1|1,0,1]=4 191 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,1,0,0,0,1|1,0,1]=4 192 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,1|1,0,1]=4 193 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,1|1,0,1]=4 194 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,1|0,0,2]=4 195 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,1|0,0,2]=4 196 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,1|0,0,2]=4 197 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,1|0,0,2]=4 198 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,1|0,0,2]=4 199 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,1|0,0,2]=4 200 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,1|0,0,2]=4 201 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,1|0,0,2]=4 202 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,0,1|0,0,2]=4 203 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,0,1|0,0,2]=4 204 B8R0.29 C[Si](C)(C)C#CC(=O)O T41467 [0,1,0,0,0,1|0,1,1]=4 205 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,2,0,0,0,0|0,0,2]=4 211 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|0,0,2]=4 213 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|0,0,2]=4 214 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|1,0,1]=4 215 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,0]=2 217 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,2,0,0,0,0|0,0,0]=2 220 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.19 COC(=O)CC(=O)OC D60836 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,2,0,0,0,0|0,0,0]=2 223 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,2,0,0,0,0|0,0,2]=4 226 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,2,0,0,0,0|0,0,2]=4 227 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,2,0,0,0,0|0,0,2]=4 228 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|0,0,1]=3 229 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,2,0,0,0,0|0,0,2]=4 230 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,2,0,0,0,0|0,0,2]=4 232 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,2,0,0,0,0|0,0,2]=4 234 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,2,0,0,0,0|0,0,2]=4 240 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,1,0,0|1,0,1]=4 241 B6R1.2 BrC1=NOC=C1 B37012 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,1,0,0|2,0,0]=4 245 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.2 CC1=COC=N1 M13405 [1,0,0,1,0,0|1,0,1]=4 247 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,1,0,0|2,0,0]=4 248 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.2 CC1=NON=C1 M62158 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.2 NC1=CC=NO1 X67704 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.2 NC1=NOC=C1 I0613 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,0]=3 253 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,0]=2 254 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,1,0,0|2,0,0]=4 258 B6R1.3 O=CNC1CC1 C65862 [1,0,0,1,0,0|1,0,1]=4 259 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,2]=4 260 B6R1.10 O=S1(=O)C=CC1 T5975 [1,0,0,1,0,0|1,0,1]=4 261 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|0,0,2]=4 262 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,1,0|0,0,1]=3 263 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,0,1,0,1|1,0,1]=4 264 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,1,0,1|1,0,1]=4 265 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,1,0,1|1,0,1]=4 266 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,0,1,0,1|1,0,1]=4 267 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,0,0,1,0,1|2,0,0]=4 268 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,1,0,1|2,0,0]=4 269 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,1,0,1|2,0,0]=4 270 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,1,0,1|2,0,0]=4 271 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,1|2,0,0]=4 272 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,1|1,0,1]=4 273 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,0,1|0,0,2]=4 274 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,1|0,0,2]=4 275 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,1|1,0,1]=4 276 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,1|0,0,2]=4 277 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,1|0,0,2]=4 278 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,1,0,1|1,0,1]=4 279 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,1,0,1|1,0,1]=4 280 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,1|0,0,1]=3 281 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,1|0,0,2]=4 282 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,1|0,0,2]=4 283 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,1|0,0,2]=4 284 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,1,0,0|0,0,1]=3 288 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,1,0,0|0,1,1]=4 290 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,1,0,0|0,0,0]=2 297 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,1,0,0|0,0,0]=2 298 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,1,0,0|0,0,0]=2 299 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|0,0,1]=3 315 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.18 CC1=CC(C)=NN1C T41425 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.18 CC1=CC(N)=NN1C D41245 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|0,0,0]=2 330 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|0,0,2]=4 335 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.50 CC1=NOC(C)=C1I D39177 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|0,0,2]=4 342 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|0,0,1]=3 344 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,2|1,0,0]=3 345 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,2|1,0,1]=4 346 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,2|1,0,1]=4 347 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,2|1,0,1]=4 348 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,2|1,0,0]=3