0 B5R0.1 C=C(C)CON M40345 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)OCC E5573 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=CC[C@H](C)O P62507 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=O)CC#N X40158 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=O)CCCl C69539 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)CNN B40316 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)\C=N\O I2624 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCOC(C)=N E68065 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CN(C)CC=O D39943 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 CN(C)CCBr B39953 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CN(C)NC=O D66358 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 C\C(N)=C\C#N A60547 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 O=C(O)\C=C\Br B9431 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=N)NN A38897 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 C#C\C(C)=C/CO M43300 [0,1,0,0,0,0|0,0,3]=4 25 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.2 CC(=O)NC(C)C P40402 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.2 CC(C)=CB(O)O D3007 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.2 CN(C)CC(=O)Cl D40251 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.2 CN(C)CC(N)=S D69472 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.2 N=C(N)CC(N)=O M69124 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CC(C)C(=O)NN I0020 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CC(C)\C(N)=N\O H39948 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CCC(=O)N(C)C D67412 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 CN(C)C(=O)CBr B40249 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CN(C)C(=O)CN A39947 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CN(C)C(=O)CN A40307 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 CN(C)C(=O)CN A61441 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 CN(C)C(=O)CO H40267 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.4 C=C\C=C/C(=O)O P41118 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 CC(C)=CCCBr B0351 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.4 CN(C)\C=C\C=O D36904 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.4 COC=CC(C)=O M41222 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.4 O=C(O)\C=C\CBr B37272 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.5 C=CCC(C)(C)O M8263 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.5 C=CO[Si](C)(C)C V40439 [0,1,0,0,0,0|2,1,0]=4 58 B6R0.5 C[Si](C)(C)\C=C\I K60897 [0,1,0,0,0,0|1,1,0]=3 59 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,1,0,0|3,0,0]=4 62 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,1,0,0|1,0,2]=4 63 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,1,0,0|1,1,1]=4 64 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,1,0,0|2,1,0]=4 66 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|1,0,1]=3 71 B6R1.2 CC1=COC=N1 M13405 [0,0,0,1,0,0|1,0,2]=4 72 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.2 CC1=NN=CN1 M15832 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.2 CC1=NN=CO1 M32022 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|1,0,1]=3 79 B6R1.2 CC1=NON=C1 M62158 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 CN1C=CN=N1 M38094 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,1,0,0|1,1,1]=4 86 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,1,0,0|1,1,1]=4 90 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,1,0,0|3,0,0]=4 92 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,1,0,0|1,1,1]=4 95 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,1,0,0|1,1,1]=4 96 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,1,0,0|1,1,1]=4 97 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,1,0,0|2,1,0]=4 103 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.3 O=CNC1CC1 C65862 [0,0,0,1,0,0|1,0,1]=3 106 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,1,0,0|0,0,2]=3 107 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,1,0,0|1,0,2]=4 108 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,1,0,0|1,0,2]=4 110 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,1,0,0|1,0,2]=4 111 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,0]=3 112 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|1,0,0]=3 113 B3R0.2 CC(=O)[O-] C69398 [2,0,0,0,0,0|1,0,0]=3 114 B3R0.2 CC(=O)[O-] M67642 [2,0,0,0,0,0|1,0,0]=3 115 B3R0.2 CC(=O)[O-] N62590 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 CC(=O)[O-] P67455 [2,0,0,0,0,0|1,0,0]=3 117 B3R0.2 CC(=O)[O-] R62611 [2,0,0,0,0,0|1,0,0]=3 118 B3R0.2 CC(=O)[O-] S62515 [2,0,0,0,0,0|1,0,0]=3 119 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,1]=4 120 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|1,0,1]=4 121 B3R0.2 C[S@](=O)[O-] S60840 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.2 O=C([O-])[O-] S60755 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 C=CC(=O)NC M37664 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.3 C=C[C@H](C)ON B40346 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.3 O=C[C@H](O)CO D39873 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|0,1,0]=3 128 B5R0.5 C=C(F)C(=O)O F39831 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.5 CC(C)C(=N)N B40303 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|0,0,1]=3 132 B5R0.5 CC(C)C(N)=S M3101 [1,1,0,0,0,0|0,1,1]=4 133 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.5 CN(C)C(=S)Cl D8332 [1,1,0,0,0,0|1,1,0]=4 136 B5R0.5 CN(N)C(N)=O M1991 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 O=C(O)C(=O)O A69569 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.5 O=C(O)C(=O)O E39942 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.2 BrC\C=C\CBr D60806 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.2 NC\C=C/CCl C65470 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.2 NC\C=C/CN B69714 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.2 CC(C)NC(=O)CCl P40378 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.2 CC(C=O)=CN(C)C D41498 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|2,0,0]=4 154 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|0,0,2]=4 155 B7R0.2 COC(=O)C=C(C)C M41461 [0,2,0,0,0,0|0,0,0]=2 156 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.3 COC(=O)C=CCBr M37461 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.3 COC(=O)\C=C\CBr M41176 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.3 COC=CC(=O)OC M39186 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.3 CO\C=C\C(=O)OC M41228 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.7 CCOC(=O)\C=C\I E41181 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,2,0,0,0,0|1,1,0]=4 168 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|0,0,1]=3 172 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,2,0,0,0,0|0,0,2]=4 174 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,2,0,0,0,0|0,0,2]=4 175 B7R0.6 CC(=O)CCC(C)=O H64912 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.6 CC(=O)CNC(C)=O X41261 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.6 CC(=O)NN=C(C)C A66607 [0,2,0,0,0,0|1,0,0]=3 178 B7R0.6 CC(=O)NNC(C)C P40426 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.6 CC(C)=NNC(N)=O P39156 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.6 CN(C)CCC(=O)O D41335 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.8 C[Si](C)(C)C#CC=O T41483 [0,2,0,0,0,0|0,1,1]=4 185 B7R0.8 C[Si](C)(C)\C=C\CO T41617 [0,2,0,0,0,0|0,1,1]=4 186 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,1]=3 187 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,1]=4 188 B5R1.1 C1=CSN=C1 T39830 [1,0,0,1,0,0|1,1,0]=4 189 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.1 BrCC1=CSC=C1 B60823 [0,1,0,1,0,0|0,1,1]=4 191 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,1,0,0|0,1,1]=4 193 B7R1.1 NCC1=CC=CN1 P41359 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.1 NCC1=CC=CS1 A12813 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.1 NCC1=CC=NO1 K40323 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.1 NCC1=CNC=C1 P26218 [0,1,0,1,0,0|1,0,1]=4 197 B7R1.1 NCC1=CSC=C1 T41357 [0,1,0,1,0,0|0,1,1]=4 198 B7R1.1 NCC1=NNC=C1 P9792 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.1 NCC1=NOC=C1 I29536 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.1 NCC1=NOC=C1 I7943 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.1 NCC1=NSC=C1 I15218 [0,1,0,1,0,0|1,1,0]=4 202 B7R1.1 OCC1=CC=CS1 T12815 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.1 OCC1=COC=C1 F41115 [0,1,0,1,0,0|0,0,2]=4 205 B7R1.1 OCC1=CSC=C1 T12827 [0,1,0,1,0,0|0,1,1]=4 206 B7R1.1 OCC1=NNC=C1 H7696 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.1 OCC1=NOC=C1 I11321 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|0,0,0]=2 209 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|0,0,0]=2 210 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,1,0,0|1,0,0]=3 211 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,1,0,0|1,0,0]=3 212 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.2 CC1=CC(I)=NN1 I26594 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.2 CC1=CC(N)=NN1 A11614 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.2 CC1=CC(N)=NO1 A12655 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.2 CC1=CN=C(N)S1 A69715 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.2 CC1=CN=C(N)S1 M69725 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.2 CC1=CNC(I)=N1 K40123 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.2 CC1=COC(N)=N1 A2053 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.2 CC1=CSC(N)=C1 A0597 [0,1,0,1,0,0|0,1,1]=4 236 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 CC1=NC=C(I)N1 K40124 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.2 CC1=NC=C(N)S1 M40189 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 CC1=NNC(I)=C1 K40122 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 CC1=NNC(N)=C1 M40220 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.2 CC1=NNC(O)=C1 M0907 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.2 CC1=NOC(N)=C1 A37936 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.2 CC1=NSC(I)=C1 I6114 [0,1,0,1,0,0|1,1,0]=4 250 B7R1.2 CC1=NSC(N)=C1 M65783 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.2 NC1=CC(=O)NN1 A0899 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 NC1=NNC(=O)C1 A39854 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.3 CC1=CC=CN=N1 M0216 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 CC1=CN=CN=C1 M41018 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.3 CC1=CN=NC=C1 M3532 [0,1,0,1,0,0|1,0,1]=4 275 B7R1.3 CC1=NC=CC=N1 M68916 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.3 CC1=NC=CN=C1 M61917 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.3 CC1=NC=CN=N1 M36785 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.3 CC1=NC=NC=C1 M7491 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,1,0,0|0,1,1]=4 284 B7R1.4 CC1=C(C)NC=N1 D41358 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.4 CC1=C(C)NC=N1 D43581 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.4 CC1=C(C)SC=N1 D41175 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,1,0,0|0,1,1]=4 288 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.4 CC1=CNN=C1C D22811 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 CC1=CNN=C1C D60965 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,1,0,0|0,1,1]=4 293 B7R1.4 CC1=NNC=C1I K40121 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.4 CC1=NOC=C1N M38991 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.4 CN1N=CC=C1I M9757 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.4 CN1N=CC=C1N M12745 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.4 CN1N=CC=C1O M23117 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.6 COC=C1COC1 M6231 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.6 N#CC=C1CNC1 A18603 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.6 N#CC=C1COC1 X6646 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|0,0,2]=4 305 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|0,0,2]=4 308 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|0,0,2]=4 309 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|0,0,2]=4 311 B7R1.20 O=C(O)CC1CC1 C11216 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|0,0,2]=4