0 B5R0.3 C#CC(=O)OC M40108 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(=O)NC M37664 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=C[C@H](C)ON B40346 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(=N)NO H39883 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CCC(=O)CN A32390 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CCC(=O)CO H36713 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.3 CNC(=O)CBr B60913 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CNC(=O)CCl C67921 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CNC(=S)NN M68621 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 COC(=O)CN M69126 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 COC(=O)CO M67586 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CO[C@@H](C)CN M40313 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CO[C@@H](C)CO M68380 [0,0,0,0,0,0|1,0,3]=4 13 B5R0.3 CO[C@H](C)CN M40312 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CO[C@H](C)CO M68381 [0,0,0,0,0,0|1,0,3]=4 15 B5R0.3 CSC(=N)NN M5959 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 O=CC(Br)C=O B2627 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 O=C[C@H](O)CO D39873 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C#CC(N)=O P39827 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(Br)CO B39863 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=C(I)CO I9998 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(=N)NN A38897 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CCC(=N)N P39882 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CCC(=N)N P39927 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CNC(=N)N M38407 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 COC(=N)N M69240 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CSC(=N)N M60715 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NC(=O)CBr B39771 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NC(=O)CI K60849 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 NCC(N)=O G69255 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 NNC(N)=O S69135 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 C#C\C(C)=C/CO M43300 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.3 C=C(Br)C(=O)OC M40168 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.3 C=C(CBr)C(=O)O B40169 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.3 C=C(F)C(=O)OC M40171 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.3 CCN(C)C(=O)Cl E40250 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 CCN(C)C(C)=O E40404 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.3 CON(C)C(C)=O M3307 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.9 CCN(C=O)CC D68184 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.9 COC(C=O)OC D38564 [0,1,0,0,0,0|1,0,1]=3 74 B6R1.2 BrC1=CNN=C1 B22272 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,1,0,0|1,0,2]=4 76 B6R1.2 BrC1=CON=C1 B39813 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,1,0,0|1,1,1]=4 78 B6R1.2 BrC1=CSN=C1 B39812 [0,0,0,1,0,0|2,1,0]=4 79 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|1,0,1]=3 84 B6R1.2 CC1=COC=N1 M13405 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,1,0,0|1,1,1]=4 86 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 CC1=NON=C1 M62158 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 CN1C=NN=C1 M37134 [0,0,0,1,0,0|3,0,0]=4 92 B6R1.2 ClC1=CNN=C1 C39818 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,1,0,0|1,1,1]=4 94 B6R1.2 FC1=CNN=C1 F13736 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 IC1=CNN=C1 I8923 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 IC1=CON=C1 K25626 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,1,0,0|1,1,1]=4 98 B6R1.2 NC1=CNN=C1 A12900 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 NC1=CNN=C1 A39853 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 NC1=CON=C1 A37511 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 NC1=CON=C1 K39833 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,1,0,0|1,1,1]=4 103 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,1,0,0|1,1,1]=4 104 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,1,0,0|1,1,1]=4 105 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.2 OC1=CNN=C1 P61602 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|1,0,1]=3 109 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|1,0,2]=4 110 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,1]=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 B5R0.1 C=C(C)CON M40345 [1,1,0,0,0,0|0,0,2]=4 124 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|0,0,1]=3 125 B5R0.1 CC#CC(=O)O B67945 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.1 CC(=O)CC#N X40158 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.1 CC(=O)CCCl C69539 [1,1,0,0,0,0|0,0,1]=3 128 B5R0.1 CC(C)\C=N\O I2624 [1,1,0,0,0,0|0,0,2]=4 129 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.1 CN(C)CC=O D39943 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.1 CN(C)NC=O D66358 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 CNCC(=O)O M68590 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 CNCC(N)=O M68358 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 C\C(N)=C\C#N A60547 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.1 NCCC(N)=O A67869 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.1 O=C(O)\C=C\Br B9431 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|1,1,0]=4 139 B5R0.4 CNS(C)(=O)=O M39134 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.4 COS(C)(=O)=O M67643 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.5 C=C(F)C(=O)O F39831 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.5 CC(C)C(=N)N B40303 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.5 CC(C)C(N)=S M3101 [1,1,0,0,0,0|0,1,1]=4 146 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.5 CN(C)C(=S)Cl D8332 [1,1,0,0,0,0|1,1,0]=4 149 B5R0.5 CN(N)C(N)=O M1991 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.5 O=C(O)C(=O)O A69569 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.5 O=C(O)C(=O)O E39942 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.2 BrC\C=C\CBr D60806 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.2 NC\C=C/CCl C65470 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.2 NC\C=C/CN B69714 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|0,0,2]=4 162 B7R0.2 CC(C=O)=CN(C)C D41498 [0,2,0,0,0,0|0,0,0]=2 163 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.5 CCC=C(C)C(=O)O M39198 [0,2,0,0,0,0|0,0,0]=2 171 B7R0.5 CCOC(=O)C(=O)O E36772 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.5 CCOC(=O)C(C)=O E60800 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.5 CCOC(=O)C(N)=O E60589 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,2,0,0,0,0|0,0,0]=2 175 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.10 CC(=N/O)\C(C)=N\O B68610 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.10 CCC(=O)C(=O)CC H41459 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.10 CCC(=O)N(C)OC M40411 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.10 COC(=O)C(=O)CBr M2726 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.10 CON(C)C(=O)CCl C40248 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|1,0,1]=4 187 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,1]=3 188 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,1]=4 189 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 190 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|1,0,1]=4 191 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,1]=3 192 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,1]=4 193 B5R1.1 C1=CSN=C1 T39830 [1,0,0,1,0,0|1,1,0]=4 194 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.1 BrCC1=CSC=C1 B60823 [0,1,0,1,0,0|0,1,1]=4 196 B7R1.1 COC1=CNN=C1 M20056 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,1,0,0|0,1,1]=4 198 B7R1.1 NCC1=CNC=C1 P26218 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.1 NCC1=CNN=C1 A10475 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.1 NCC1=CNN=C1 P17334 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.1 NCC1=CNN=C1 P20267 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.1 NCC1=CON=C1 A14706 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.1 NCC1=CON=C1 I29534 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.1 NCC1=CSC=C1 T41357 [0,1,0,1,0,0|0,1,1]=4 205 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,1,0,0|0,0,2]=4 206 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,1,0,0|0,0,2]=4 207 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,1,0,0|0,0,0]=2 209 B7R1.1 O=CC1=CN=CO1 X11928 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 O=CC1=CN=CS1 T2161 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,1,0,0|0,0,2]=4 212 B7R1.1 O=CC1=CNN=C1 P0675 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.1 O=CC1=CNN=C1 P7759 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,1,0,0|0,0,2]=4 215 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.1 O=CC1=CSC=N1 T2159 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.1 O=CC1=NC=CN1 F2135 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.1 O=CC1=NC=CS1 T2877 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.1 O=CC1=NNC=C1 P23454 [0,1,0,1,0,0|1,0,1]=4 220 B7R1.1 O=CC1=NOC=C1 I0114 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.1 OCC1=CNN=C1 H1729 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.1 OCC1=COC=C1 F41115 [0,1,0,1,0,0|0,0,2]=4 224 B7R1.1 OCC1=CON=C1 H14705 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 OCC1=CSC=C1 T12827 [0,1,0,1,0,0|0,1,1]=4 226 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|0,0,1]=3 227 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,1,0,0|1,1,0]=4 231 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.2 CC1=CN(C)N=C1 D69464 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.2 CC1=CN(C)N=N1 D40221 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.2 CC1=CN=C(N)S1 A69715 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 CC1=CN=C(N)S1 M69725 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.2 CC1=CNC(I)=N1 K40123 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.2 CC1=COC(N)=N1 A2053 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,1,0,1,0,0|1,1,0]=4 248 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,1,0,0|0,1,0]=3 249 B7R1.2 CC1=CSC(N)=C1 A0597 [0,1,0,1,0,0|0,1,1]=4 250 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 CC1=NC=C(I)N1 K40124 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 CC1=NC=C(N)S1 M40189 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.2 CC1=NN=C(C)N1 D0366 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.2 CC1=NN=C(C)O1 D13454 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 CN1C=C(Br)C=N1 B7572 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.2 CN1C=C(Cl)C=N1 C40119 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 CN1C=C(I)C=N1 I23483 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.2 CN1C=C(N)C=N1 A10471 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.2 CN1C=C(N)C=N1 M24961 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.2 CN1C=C(N)C=N1 M40360 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.2 CN1C=C(O)C=N1 M38839 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.3 CC1=CN=CN=C1 M41018 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.3 CC1=CN=NC=C1 M3532 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.3 CC1=NC=CN=C1 M61917 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 CC1=NC=NC=C1 M7491 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.4 CC1=C(Br)N=CS1 B61015 [0,1,0,1,0,0|1,1,0]=4 290 B7R1.4 CC1=C(Br)NC=N1 B40116 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,1,0,0|0,1,1]=4 292 B7R1.4 CC1=C(Br)SC=N1 B5072 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.4 CC1=C(C)NC=N1 D41358 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.4 CC1=C(C)NC=N1 D43581 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.4 CC1=C(C)SC=N1 D41175 [0,1,0,1,0,0|0,1,0]=3 296 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,1,0,0|0,1,1]=4 297 B7R1.4 CC1=C(I)NC=N1 K40125 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.4 CC1=C(N)NN=C1 M13606 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.4 CC1=C(N)ON=C1 M40180 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.4 CC1=CNN=C1Br B10968 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 CC1=CNN=C1C D22811 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.4 CC1=CNN=C1C D60965 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,1,0,0|0,1,1]=4 306 B7R1.4 CC1=NNC=C1I K40121 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.4 CC1=NOC=C1N M38991 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.4 CN1CCNC1=O M40241 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|0,0,2]=4 315 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.6 COC=C1COC1 M6231 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.25 CC1(C=O)COC1 M6233 [0,1,0,1,0,0|0,0,2]=4 320 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|0,0,2]=4 321 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.18 CC(=O)C1CCC1 C22926 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.18 NC(=O)C1CCC1 C36760 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.18 O=C(O)C1CCC1 C39184 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,1,0,1,0,0|0,0,2]=4