0 B5R0.1 C#CCC(=O)O B38084 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=C(C)CON M40345 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)OCC E5573 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=CC[C@H](C)O P62507 [0,0,0,0,0,0|0,0,4]=4 4 B5R0.1 CC#CC(=O)O B67945 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC#C[C@H](C)O B1790 [0,0,0,0,0,0|0,0,4]=4 6 B5R0.1 CC(=O)CC#N X40158 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(=O)CCCl C69539 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(C)\C=N\O I2624 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCC[C@@H](C)N P16023 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CCC[C@H](C)N P22363 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.1 CCOC(=N)N E36845 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCOC(=S)[S-] P69346 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.1 CCOC(C)=N E68065 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CN(C)CC=O D39943 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CN(C)NC=O D66358 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CNCC(=O)O M68590 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CNCC(N)=O M68358 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 COCC(=N)N M39928 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 COCC(=O)O M69331 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 COC[C@@H](C)N M40311 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 COC[C@@H](C)O M39959 [0,0,0,0,0,0|1,0,3]=4 22 B5R0.1 COC[C@H](C)O M61064 [0,0,0,0,0,0|1,0,3]=4 23 B5R0.1 C\C(N)=C\C#N A60547 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 N#CCC(N)=O C60562 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 NCCC(N)=O A67869 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 NOCC(=O)O C40302 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 O=C(O)\C=C\Br B9431 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C#CC(N)=O P39827 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CC(=N)NN A38897 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CCC(=N)N P39882 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CCC(=N)N P39927 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CNC(=N)N M38407 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 COC(=N)N M69240 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 CSC(=N)N M60715 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 NC(=O)CBr B39771 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 NC(=O)CI K60849 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 NCC(N)=O G69255 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 NNC(N)=O S69135 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.1 C#CCC(=O)OC M41116 [0,1,0,0,0,0|0,0,3]=4 51 B6R0.1 C#C\C(C)=C/CO M43300 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CC#CC(=O)OC M62298 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|0,0,0]=1 54 B6R0.1 CCOC(=O)C#N E15572 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCOC(=O)CN G69291 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCOC(=O)NN E39139 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)OC E40254 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.1 CNC(=O)CC#N C40181 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 CNC(=O)CCN A40306 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 COC(=O)C#CBr M38132 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 COC(=O)CC#N M68915 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 COC(=O)CCBr M39155 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 COC(=O)CCN M67902 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.1 COC(=O)CCO M24551 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.1 COC(=O)OCCl C62332 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 COCC(=O)NN M39884 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,0,0,0,0|0,0,0]=1 73 B6R0.2 CC(=O)NC(C)C P40402 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.2 CC(C)=CB(O)O D3007 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.2 CN(C)CC(=O)Cl D40251 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.2 N=C(N)CC(N)=O M69124 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 C=C(Br)C(=O)OC M40168 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 C=C(CBr)C(=O)O B40169 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 C=C(F)C(=O)OC M40171 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 CCC(=O)N(C)C D67412 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CCN(C)C(=O)Cl E40250 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 CCN(C)C(C)=O E40404 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 COC(=O)[C@H](C)N A68085 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 COC(=O)[C@H](C)N M68343 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 COC(=O)[C@H](C)O M69777 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.3 CON(C)C(C)=O M3307 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 C=CCCC(=O)O P37823 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.4 C=CCCC(N)=O P5022 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.4 C=C\C=C/C(=O)O P41118 [0,1,0,0,0,0|1,0,1]=3 114 B6R0.4 CC(=O)CCCCl C68599 [0,1,0,0,0,0|0,0,2]=3 115 B6R0.4 CC(=O)NCCN A68626 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.4 CC(=O)NCCO H68625 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.4 CC(=O)OCCBr B67892 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.4 CC(C)=CCCBr B0351 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.4 CCCCC(=O)[O-] S38573 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.4 CCCOC(N)=O P40264 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 CN(C)\C=C\C=O D36904 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 CNCCC(=O)O M40350 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.4 COC=CC(C)=O M41222 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.4 COCCC(=O)O M40255 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.4 NCCCC(N)=O A40304 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.4 O=C(O)CCCBr B39154 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.4 O=C(O)CCCCl C40232 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.4 O=C(O)\C=C\CBr B37272 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.5 C[Si](C)(C)\C=C\I K60897 [0,1,0,0,0,0|2,1,0]=4 131 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,1,0,0|1,1,1]=4 132 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|1,0,1]=3 139 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|0,1,1]=3 140 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|1,0,1]=3 141 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,1,0,0|1,1,1]=4 142 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 CC1=COC=N1 M13405 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,1,0,0|1,1,1]=4 146 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|1,0,2]=4 147 B6R1.2 CC1=NN=CN1 M15832 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 CC1=NN=CO1 M32022 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 CC1=NON=C1 M62158 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 CN1C=CN=N1 M38094 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,1,0,0|1,1,1]=4 160 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,1,0,0|2,1,0]=4 166 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 NC1=NCCC1 D38561 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|0,0,0]=1 173 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,1,0,0|0,0,2]=3 177 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|1,0,1]=3 179 B6R1.2 O=C1CCNN1 P39917 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|1,0,1]=3 181 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|1,0,1]=3 182 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 O=C1NCCN1 K62398 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 O=C1NCCS1 T39859 [0,0,0,1,0,0|2,0,1]=4 186 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,1,0,0|0,0,2]=3 188 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,1,0,0|1,0,2]=4 190 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,1,0,0|1,0,2]=4 192 B6R1.10 O=S1(=O)C=CC1 T5975 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.11 O=C(O)C1CC1 C69104 [0,0,0,1,0,0|1,0,2]=4 194 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|1,0,0]=3 197 B3R0.2 CC(=O)[O-] C69398 [2,0,0,0,0,0|1,0,0]=3 198 B3R0.2 CC(=O)[O-] M67642 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.2 CC(=O)[O-] N62590 [2,0,0,0,0,0|1,0,0]=3 200 B3R0.2 CC(=O)[O-] P67455 [2,0,0,0,0,0|1,0,0]=3 201 B3R0.2 CC(=O)[O-] R62611 [2,0,0,0,0,0|1,0,0]=3 202 B3R0.2 CC(=O)[O-] S62515 [2,0,0,0,0,0|1,0,0]=3 203 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,1]=4 204 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.2 C[S@](=O)[O-] S60840 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.2 O=C([O-])[O-] S60755 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 C#CC(=O)OC M40108 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.3 C=CC(=O)NC M37664 [1,1,0,0,0,0|0,0,0]=2 209 B5R0.3 C=C[C@H](C)ON B40346 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.3 CCC(=O)CN A32390 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.3 CCC(=O)CO H36713 [1,1,0,0,0,0|0,0,1]=3 213 B5R0.3 CNC(=O)CBr B60913 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.3 CNC(=O)CCl C67921 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.3 COC(=O)CN M69126 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.3 COC(=O)CO M67586 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.3 NNC(=O)CO H32091 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.3 O=C(CCl)CCl D4849 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|1,1,0]=4 220 B5R0.4 CNS(C)(=O)=O M39134 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.4 COS(C)(=O)=O M67643 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.5 C=C(F)C(=O)O F39831 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.5 CN(N)C(N)=O M1991 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.5 O=C(O)C(=O)O A69569 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.5 O=C(O)C(=O)O E39942 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.2 BrC\C=C\CBr D60806 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.2 NC\C=C/CCl C65470 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.2 NC\C=C/CN B69714 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|0,0,2]=4 239 B7R0.2 CC(C)NC(=O)CCl P40378 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.2 CC(C=O)=CN(C)C D41498 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|0,0,1]=3 243 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|0,0,1]=3 244 B7R0.2 COC(=O)C=C(C)C M41461 [0,2,0,0,0,0|0,0,0]=2 245 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,2,0,0,0,0|0,0,2]=4 251 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,2,0,0,0,0|0,0,0]=2 252 B7R0.3 C=CCOC(=O)CI P7846 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.3 CCCOC(=O)OC M40388 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.3 CNCCC(=O)OC M40412 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.3 COC(=O)C=CCBr M37461 [0,2,0,0,0,0|0,0,0]=2 256 B7R0.3 COC(=O)CCCBr M39189 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.3 COC(=O)CCCCl M60517 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.3 COC(=O)CCCN M32376 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.3 COC(=O)\C=C\CBr M41176 [0,2,0,0,0,0|0,0,0]=2 261 B7R0.3 COC=CC(=O)OC M39186 [0,2,0,0,0,0|0,0,0]=2 262 B7R0.3 CO\C=C\C(=O)OC M41228 [0,2,0,0,0,0|0,0,0]=2 263 B7R0.5 CCC=C(C)C(=O)O M39198 [0,2,0,0,0,0|0,0,1]=3 264 B7R0.5 CCOC(=O)C(=O)O E36772 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.5 CCOC(=O)C(C)=O E60800 [0,2,0,0,0,0|0,0,1]=3 266 B7R0.5 CCOC(=O)C(N)=O E60589 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,2,0,0,0,0|0,0,1]=3 272 B7R0.7 CC#CC(=O)OCC E36835 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.7 CCNC(=O)NCC D40424 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.7 CCOC(=O)CCBr E39188 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.7 CCOC(=O)CCI E41273 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.7 CCOC(=O)CNC S69399 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.7 CCOC(=O)CNN E67459 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.7 CCOC(=O)CSC E40386 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.7 CCOC(=O)OCCl C38646 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.7 CCOC(=O)\C=C\I E41181 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.7 COCC(=O)COC D40391 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.10 C=C(CO)C(=O)OC M7022 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.10 CCC(=O)C(=O)CC H41459 [0,2,0,0,0,0|0,0,1]=3 287 B7R0.10 CCC(=O)N(C)OC M40411 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,2,0,0,0,0|0,0,2]=4 289 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,2,0,0,0,0|0,0,2]=4 290 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,2,0,0,0,0|0,0,2]=4 291 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,2,0,0,0,0|0,0,2]=4 292 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,2,0,0,0,0|0,0,2]=4 293 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.10 COC(=O)C(=O)CBr M2726 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.10 CON(C)C(=O)CCl C40248 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,2,0,0,0,0|1,1,0]=4 297 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.4 CC(=O)CCCCBr B41532 [0,2,0,0,0,0|0,0,2]=4 299 B7R0.4 CC(=O)OCCCBr B41266 [0,2,0,0,0,0|0,0,2]=4 300 B7R0.4 CC(=O)OCCCCl C39190 [0,2,0,0,0,0|0,0,2]=4 301 B7R0.4 CCC\C=C\C(=O)O H41460 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.4 CCOC=CC(=O)O E41226 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.4 COC\C=C\C(=O)O M63576 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,2,0,0,0,0|0,0,2]=4 305 B7R0.6 CC(=O)CCC(C)=O H64912 [0,2,0,0,0,0|0,0,1]=3 306 B7R0.6 CC(=O)CNC(C)=O X41261 [0,2,0,0,0,0|0,0,1]=3 307 B7R0.6 CC(=O)NN=C(C)C A66607 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.6 CC(=O)NNC(C)C P40426 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.6 CC(=O)NNC(N)=S A39876 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,2,0,0,0,0|0,0,0]=2 311 B7R0.6 CC(C)=NNC(N)=O P39156 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.8 C[Si](C)(C)\C=C\CO T41617 [0,2,0,0,0,0|1,1,0]=4 315 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,1]=3 316 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,1]=4 317 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 318 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|1,0,1]=4 319 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,1]=4 320 B5R1.1 C1=CSN=C1 T39830 [1,0,0,1,0,0|1,1,0]=4 321 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 BrCC1=CSC=C1 B60823 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,1,0,0|0,1,1]=4 324 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.1 NCC1=CC=CN1 P41359 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.1 NCC1=CC=CS1 A12813 [0,1,0,1,0,0|0,1,1]=4 327 B7R1.1 NCC1=CC=NO1 K40323 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 NCC1=CNC=C1 P26218 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.1 NCC1=CSC=C1 T41357 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.1 NCC1=NNC=C1 P9792 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 NCC1=NOC=C1 I29536 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.1 NCC1=NOC=C1 I7943 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.1 NCC1=NSC=C1 I15218 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,1,0,0|0,0,1]=3 338 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.1 O=CC1=NNC=C1 P23454 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.1 O=CC1=NOC=C1 I0114 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.1 OCC1=CC=CS1 T12815 [0,1,0,1,0,0|0,1,1]=4 344 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.1 OCC1=COC=C1 F41115 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.1 OCC1=CSC=C1 T12827 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.1 OCC1=NNC=C1 H7696 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.1 OCC1=NOC=C1 I11321 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|0,0,0]=2 350 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|0,0,0]=2 351 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,1,0,0|0,1,1]=4 354 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|0,0,1]=3 357 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 CC1=CC(I)=NN1 I26594 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.2 CC1=CC(N)=NN1 A11614 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.2 CC1=CC(N)=NO1 A12655 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,1,0,0|0,0,2]=4 362 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,1,0,0|0,1,1]=4 363 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|0,1,0]=3 364 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,1,0,0|0,1,1]=4 365 B7R1.2 CC1=CN(C)N=C1 D69464 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 CC1=CN(C)N=N1 D40221 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,1,0,0|0,1,0]=3 369 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,1,0,1,0,0|1,1,0]=4 370 B7R1.2 CC1=CN=C(N)S1 A69715 [0,1,0,1,0,0|1,1,0]=4 371 B7R1.2 CC1=CN=C(N)S1 M69725 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.2 CC1=CNC(I)=N1 K40123 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.2 CC1=COC(N)=N1 A2053 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.2 CC1=CSC(N)=C1 A0597 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,1,0,1,0,0|1,1,0]=4 382 B7R1.2 CC1=NC=C(I)N1 K40124 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.2 CC1=NC=C(N)S1 M40189 [0,1,0,1,0,0|1,1,0]=4 384 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.2 CC1=NN=C(C)N1 D0366 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.2 CC1=NN=C(C)O1 D13454 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.2 CC1=NNC(I)=C1 K40122 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.2 CC1=NNC(N)=C1 M40220 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.2 CC1=NNC(O)=C1 M0907 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.2 CC1=NOC(N)=C1 A37936 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.2 CC1=NSC(I)=C1 I6114 [0,1,0,1,0,0|1,1,0]=4 395 B7R1.2 CC1=NSC(N)=C1 M65783 [0,1,0,1,0,0|1,1,0]=4 396 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.2 CN1C=CC(Br)=N1 B5930 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.2 CN1C=CC(Cl)=N1 C64917 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.2 CN1C=CC(I)=N1 M13226 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 CN1C=CC(N)=N1 A3263 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|0,0,2]=4 403 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|0,0,2]=4 404 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.2 NC1=CC(=O)NN1 A0899 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.2 NC1=NNC(=O)C1 A39854 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|0,0,1]=3 423 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|0,0,2]=4 424 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.3 CC1=CC=CN=N1 M0216 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.3 CC1=CN=CN=C1 M41018 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 CC1=CN=NC=C1 M3532 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.3 CC1=NC=CC=N1 M68916 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.3 CC1=NC=CN=C1 M61917 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.3 CC1=NC=CN=N1 M36785 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.3 CC1=NC=NC=C1 M7491 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.3 O=C1C=CC=NN1 P5932 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|0,0,0]=2 443 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|0,0,0]=2 444 B7R1.3 O=C1C=CN=CN1 P0246 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.3 O=C1C=COC=C1 P40862 [0,1,0,1,0,0|0,0,2]=4 446 B7R1.3 O=C1C=NC=CN1 H68630 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.3 O=C1CCCCN1 P69632 [0,1,0,1,0,0|0,0,2]=4 448 B7R1.3 O=C1CCCNC1 P1523 [0,1,0,1,0,0|0,0,2]=4 449 B7R1.3 O=C1CCCNC1 P31811 [0,1,0,1,0,0|0,0,2]=4 450 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|0,0,2]=4 451 B7R1.3 O=C1CCCSC1 T1776 [0,1,0,1,0,0|0,0,2]=4 452 B7R1.3 O=C1CCNCC1 P23503 [0,1,0,1,0,0|0,0,2]=4 453 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,1,0,0|0,0,2]=4 454 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.3 O=C1CNCCN1 P10419 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.3 O=C1COCCN1 M7700 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 O=C1CSCCN1 T40230 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.3 O=C1N=CC=CN1 P67458 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.4 CC1=CNN=C1C D22811 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.4 CC1=CNN=C1C D60965 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.4 CC1=NNC=C1I K40121 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.4 CC1=NOC=C1N M38991 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.4 CN1CCNC1=O M40241 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.4 CN1N=CC=C1I M9757 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.4 CN1N=CC=C1N M12745 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.4 CN1N=CC=C1O M23117 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|0,0,2]=4 480 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.4 NN1CCCC1=O A22230 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|0,0,0]=2 490 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|0,0,0]=2 491 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.6 COC=C1COC1 M6231 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|0,0,2]=4 497 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|0,0,2]=4 498 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.22 CCC(=O)C1CC1 C24823 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.18 CC(=O)C1CCC1 C22926 [0,1,0,1,0,0|0,0,2]=4 501 B7R1.18 CC(=O)C1CNC1 A18542 [0,1,0,1,0,0|0,0,2]=4 502 B7R1.14 O=S1(=O)C=CCC1 D1486 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.14 O=S1(=O)C=CCO1 P39851 [0,1,0,1,0,0|2,0,0]=4