0 B5R0.3 C#CC(=O)OC M40108 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C=CC(=O)NC M37664 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 C=C[C@H](C)ON B40346 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=C[C@H](N)CO A40343 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=N)NO H39883 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 CCC(=O)CN A32390 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CCC(=O)CO H36713 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CNC(=O)CBr B60913 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CNC(=O)CCl C67921 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CNC(=S)NN M68621 [0,0,0,0,0,0|3,1,0]=4 10 B5R0.3 COC(=O)CN M69126 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.3 COC(=O)CO M67586 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.3 CO[C@@H](C)CN M40313 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CO[C@@H](C)CO M68380 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CO[C@H](C)CN M40312 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 CO[C@H](C)CO M68381 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 CSC(=N)NN M5959 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.3 NNC(=O)CO H32091 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 O=C(CCl)CCl D4849 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C#CC(N)=O P39827 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=C(Br)CO B39863 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C=C(I)CO I9998 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=N)NN A38897 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CCC(=N)N P39882 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CCC(=N)N P39927 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 CNC(=N)N M38407 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 COC(=N)N M69240 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CSC(=N)N M60715 [1,0,0,0,0,0|2,1,0]=4 36 B4R0.1 NC(=O)CBr B39771 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 NC(=O)CI K60849 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 NCC(N)=O G69255 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 NNC(N)=O S69135 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 C=CCON A39923 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 COCCI K39881 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 C#CCC(=O)OC M41116 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.1 C=C(OCC)[Zn]Cl E4486 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.1 CC#CC(=O)OC M62298 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CCOC(=O)C#N E15572 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 CCOC(=O)CN G69291 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 CCOC(=O)NN E39139 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CCOC(=O)OC E40254 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CNC(=O)CC#N C40181 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CNC(=O)CCN A40306 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 COC(=O)C#CBr M38132 [0,1,0,0,0,0|0,0,2]=3 59 B6R0.1 COC(=O)CC#N M68915 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.1 COC(=O)CCBr M39155 [0,1,0,0,0,0|0,0,2]=3 61 B6R0.1 COC(=O)CCN M67902 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.1 COC(=O)CCO M24551 [0,1,0,0,0,0|0,0,2]=3 63 B6R0.1 COC(=O)OCCl C62332 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|0,0,0]=1 65 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|0,0,0]=1 66 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|0,0,0]=1 67 B6R0.1 COCC(=O)NN M39884 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 C=C(Br)C(=O)OC M40168 [0,1,0,0,0,0|0,0,0]=1 69 B6R0.3 C=C(F)C(=O)OC M40171 [0,1,0,0,0,0|0,0,0]=1 70 B6R0.3 CC(C)C(=O)NN I0020 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 CCC(=O)N(C)C D67412 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.3 CN(C)C(=O)CBr B40249 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CN(C)C(=O)CN A39947 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CN(C)C(=O)CN A40307 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CN(C)C(=O)CN A61441 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CN(C)C(=O)CO H40267 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,1,0,0,0,0|0,0,2]=3 80 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.3 COC(=O)[C@H](C)N A68085 [0,1,0,0,0,0|0,0,2]=3 82 B6R0.3 COC(=O)[C@H](C)N M68343 [0,1,0,0,0,0|0,0,2]=3 83 B6R0.3 COC(=O)[C@H](C)O M69777 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.3 CON(C)C(C)=O M3307 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.8 CCS(=O)(=O)OC M39889 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.9 COC(C=O)OC D38564 [0,1,0,0,0,0|1,0,2]=4 90 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,1,0,0|1,1,1]=4 91 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,1,0,0|3,0,0]=4 92 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|1,1,1]=4 99 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,1,0,0|1,1,1]=4 108 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 IC1=NC=CO1 I11270 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,1,0,0|2,1,0]=4 115 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.2 NC1=NC=CO1 O5740 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|1,0,0]=2 122 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|0,0,0]=1 123 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 O=C1CCNN1 P39917 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,1,0,0|1,0,1]=3 133 B6R1.2 O=C1NCCN1 K62398 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 O=C1NCCS1 T39859 [0,0,0,1,0,0|1,1,1]=4 135 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|0,0,2]=3 138 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,1,0,0|2,0,1]=4 140 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,0]=3 141 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|0,0,1]=3 142 B3R0.2 CC(=O)[O-] C69398 [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 CC(=O)[O-] M67642 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.2 CC(=O)[O-] N62590 [2,0,0,0,0,0|1,0,0]=3 145 B3R0.2 CC(=O)[O-] P67455 [2,0,0,0,0,0|1,0,0]=3 146 B3R0.2 CC(=O)[O-] R62611 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.2 CC(=O)[O-] S62515 [2,0,0,0,0,0|1,0,0]=3 148 B3R0.2 C[S@](=O)[O-] S60840 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.2 O=C([O-])[O-] S60755 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 C#CCC(=O)O B38084 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.1 C=C(C)CON M40345 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 C=CC[C@H](C)O P62507 [1,1,0,0,0,0|0,0,2]=4 154 B5R0.1 CC#CC(=O)O B67945 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.1 CC(=O)CC#N X40158 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.1 CC(=O)CCCl C69539 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.1 CCOC(=N)N E36845 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CCOC(=S)[S-] P69346 [1,1,0,0,0,0|1,1,0]=4 159 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 CNCC(=O)O M68590 [1,1,0,0,0,0|0,0,2]=4 161 B5R0.1 CNCC(N)=O M68358 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.1 COCC(=N)N M39928 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.1 C\C(N)=C\C#N A60547 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 NCCC(N)=O A67869 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.1 NOCC(=O)O C40302 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 O=C(O)\C=C\Br B9431 [1,1,0,0,0,0|0,0,0]=2 168 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|1,1,0]=4 169 B5R0.4 COS(C)(=O)=O M67643 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.5 C=C(F)C(=O)O F39831 [1,1,0,0,0,0|0,0,0]=2 171 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.5 CN(N)C(N)=O M1991 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.5 O=C(O)C(=O)O A69569 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.5 O=C(O)C(=O)O E39942 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 NOCC=CCl C39871 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.2 COC(=O)C=C(C)C M41461 [0,2,0,0,0,0|0,0,0]=2 191 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|0,0,1]=3 192 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|0,0,1]=3 193 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|0,0,1]=3 194 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,2,0,0,0,0|0,0,0]=2 198 B7R0.3 C#CCNC(=O)C=C P43133 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.3 C=CC(=O)NCCN A41315 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.3 C=CCOC(=O)CI P7846 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 CCCOC(=O)OC M40388 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.3 CNCCC(=O)OC M40412 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.3 COC(=O)C=CCBr M37461 [0,2,0,0,0,0|0,0,0]=2 204 B7R0.3 COC(=O)CCCBr M39189 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.3 COC(=O)CCCCl M60517 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.3 COC(=O)CCCN M32376 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|0,0,1]=3 209 B7R0.3 COC(=O)\C=C\CBr M41176 [0,2,0,0,0,0|0,0,0]=2 210 B7R0.3 COC=CC(=O)OC M39186 [0,2,0,0,0,0|0,0,0]=2 211 B7R0.3 CO\C=C\C(=O)OC M41228 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.5 CC(C)C(=O)OCCl C24559 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.5 CCOC(=O)C(=O)O E36772 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 CCOC(=O)C(C)=O E60800 [0,2,0,0,0,0|0,0,1]=3 215 B7R0.5 CCOC(=O)C(N)=O E60589 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.5 CCOC(=O)C(N)=S E15645 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.7 CC#CC(=O)OCC E36835 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.7 CCOC(=O)CCBr E39188 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.7 CCOC(=O)CCI E41273 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.7 CCOC(=O)CNC S69399 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.7 CCOC(=O)CNN E67459 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.7 CCOC(=O)CSC E40386 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.7 CCOC(=O)OCCl C38646 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|0,0,1]=3 230 B7R0.7 CCOC(=O)\C=C\I E41181 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.7 COCC(=O)COC D40391 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,2,0,0,0,0|0,0,0]=2 233 B7R0.10 C=C(CO)C(=O)OC M7022 [0,2,0,0,0,0|0,0,0]=2 234 B7R0.10 CCC(=O)C(=O)CC H41459 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.10 CCC(=O)N(C)OC M40411 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.10 COC(=O)C(=O)CBr M2726 [0,2,0,0,0,0|0,0,1]=3 243 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,2,0,0,0,0|0,0,2]=4 247 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,2,0,0,0,0|0,0,2]=4 251 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.10 CON(C)C(=O)CCl C40248 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.14 COC(=O)C(C)(C)F M41271 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.14 COC(=O)C(C)(C)N M67502 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.18 C=C[Si](C)(OC)OC D39166 [0,2,0,0,0,0|0,1,1]=4 261 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,2]=4 262 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,1]=4 263 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 264 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|1,0,1]=4 265 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,1]=4 266 B5R1.1 C1=COC=N1 X1773 [1,0,0,1,0,0|1,0,1]=4 267 B5R1.1 C1=CSN=C1 T39830 [1,0,0,1,0,0|1,1,0]=4 268 B7R1.1 CCC1=NC=CN1 E68629 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.1 CNC1=NC=CS1 M67793 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,1,0,0|0,1,0]=3 271 B7R1.1 COC1=CNN=C1 M20056 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,1,0,0|0,1,0]=3 273 B7R1.1 COC1=NC=CS1 M2608 [0,1,0,1,0,0|0,1,0]=3 274 B7R1.1 CSC1=NC=CO1 M40164 [0,1,0,1,0,0|0,1,1]=4 275 B7R1.1 N#CC1=CC=CO1 F40652 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.1 N#CC1=CC=NO1 X67351 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.1 NCC1=CC=NO1 K40323 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,1,0,0|0,1,1]=4 280 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.1 O=CC1=CN=CO1 X11928 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.1 O=CC1=NNC=C1 P23454 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.1 O=CC1=NOC=C1 I0114 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.2 CC1=CC(N)=NO1 A12655 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.2 CC1=NOC(N)=C1 A37936 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.2 CN1C=CC(Br)=N1 B5930 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.2 CN1C=CC(Cl)=N1 C64917 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.2 CN1C=CC(I)=N1 M13226 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.2 CN1C=CC(N)=N1 A3263 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|0,0,2]=4 309 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.2 NC1=CC(=O)NN1 A0899 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,1,0,0|0,0,0]=2 315 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,1,0,0|0,0,2]=4 316 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.3 O=C1C=CC=NN1 P5932 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.3 O=C1C=CN=CN1 P0246 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.3 O=C1C=COC=C1 P40862 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.3 O=C1C=NC=CN1 H68630 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.3 O=C1COCCN1 M7700 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.3 O=C1N=CC=CN1 P67458 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.4 CC1=C(N)ON=C1 M40180 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.4 CN1C=CN=C1Br B9674 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.4 CN1C=CN=C1Cl C3018 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.4 CN1C=CN=C1I I2903 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.4 CN1C=CN=C1N M40330 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.4 CN1C=CN=C1N M67646 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.4 CN1C=NC=C1Br B2463 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.4 CN1C=NC=C1Cl C40118 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.4 CN1C=NC=C1I K2147 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.4 CN1C=NC=C1N M38381 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 CN1N=CC=C1I M9757 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 CN1N=CC=C1N M12745 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.4 CN1N=CC=C1O M23117 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|0,0,2]=4 353 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|0,0,2]=4 354 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|0,0,2]=4 355 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|0,0,2]=4 356 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.25 C=CC1(O)COC1 V13477 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.14 O=S1(=O)C=CCC1 D1486 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.14 O=S1(=O)C=CCO1 P39851 [0,1,0,1,0,0|1,0,0]=3