0 B7R0.10 C(=O)(C(=O)NN)NN TS04706 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.10 C(=O)(C(=O)S[K])S[K] TS54102 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.10 C(C(=C(CO)Br)Br)O TS27399 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.10 C(C(=O)C(=O)CBr)Br TS27074 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.10 CC(C(=O)OC)OC TS32317 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.10 CC(C(=O)OC)SC TS05922 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.10 CC=C(C(=O)OC)Br TS47656 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.10 CCC(=C(C)CC)C TS04354 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.10 CCC(=C(C)CC)C TS31959 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.10 CCC(C(=O)CC)O TS32221 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.10 CCC(C(=O)OC)N TS41307 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.10 CCC(C(CC)Br)Br TS61927 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.10 CCC(C)C(=C)CC TS04351 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.10 CCC(C)C(=CC)C TS04350 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.10 CCC(C)C(=O)CC TS04477 [0,0,0,0,0,0|1,0,1]=2 19 B7R0.10 CCC(C)C(=O)OC TS04590 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.10 CCC(C)C(=O)SC TS05776 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.10 CCC(C)C(C)CC TS04508 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.10 CCC(C)C(CC)O TS04626 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.10 CN(C(=O)CCl)OC TS55286 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.10 CNC(=O)C(=O)NC TS32195 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.10 CNC(=S)C(=S)NC TS40690 [0,0,0,0,0,0|2,2,0]=4 26 B7R0.10 COC(=O)C(=C)C#N TS04236 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.10 COC(=O)C(=C)CBr TS47657 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.10 COC(=O)C(=O)CBr TS14714 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.10 COC(=O)C(=O)OC TS39853 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.10 COC(=O)C(CBr)Br TS27392 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.10 COC(=O)C(CCl)Cl TS10813 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.10 COC(=O)C(CCl)N TS08717 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.10 COC(=O)C(CO)Cl TS37246 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.10 COC(=O)C(CO)N TS47365 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.10 COC(=O)[C@H](CO)N TS46686 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.10 COC(=O)[C@H](CS)N TS64915 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.10 COC(C(=O)OC)O TS01782 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 C(C(=O)OCO)N TS05233 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 CC=CC(=CC)C TS31385 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|0,0,1]=2 54 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.1 CCC(=O)OC=C TS31498 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.1 CCC(C)C=CC TS03791 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.1 CCC(C)SCC TS04755 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.1 CCC(C=CC)O TS03868 [1,0,0,0,0,0|0,0,3]=4 63 B6R0.1 CCC=C(C)C=O TS03779 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|0,0,1]=2 67 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.1 CCCC(C)CC TS03886 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.1 CCCC(CC)Br TS42856 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.1 CCCC(CC)Cl TS04841 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 CCCC(CC)I TS44109 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.1 CCCC(CC)N TS31564 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.1 CCCC(CC)O TS31611 [1,0,0,0,0,0|0,0,3]=4 76 B6R0.1 CCCC(CC)S TS40939 [1,0,0,0,0,0|0,1,2]=4 77 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 COC(=O)C=CN TS31544 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 C(=O)(C(=O)NN)N TS31631 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.3 C=C(CBr)C(=O)O TS42841 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.3 CC(=C)C(=O)NC TS03820 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.3 CC(=C)C(=O)OC TS31500 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.3 CC(=NO)C(=O)C TS31543 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 CC(=O)N(C)OC TS56410 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.3 CC(C(=O)C)SC TS32356 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.3 CC(C(=O)OC)Br TS12330 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.3 CC(C(=O)OC)Br TS93879 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.3 CC(C(=O)OC)N TS55725 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.3 CC(C)C(=O)CBr TS00029 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.3 CC(C)C(=O)OC TS03944 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 CC(CO)C(=O)C TS03953 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.3 CC=C(C)C(=O)C TS31447 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.3 CC=C(C)C(=O)Cl TS04767 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.3 CC=C(C)C(=O)O TS03838 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.3 CC=C(C)C(=O)O TS03840 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.3 CCC(=C(F)F)F TS04180 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.3 CCC(=O)C(=O)C TS03844 [1,0,0,0,0,0|0,0,0]=1 133 B6R0.3 CCC(=O)C(=O)O TS31578 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,0,0,0,0|1,0,1]=3 136 B6R0.3 CCC(=O)N(C)C TS31553 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.3 CCC(C(=C)C)O TS31517 [1,0,0,0,0,0|1,0,2]=4 138 B6R0.3 CCC(C(=O)Br)Br TS52915 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.3 CCC(C(=O)C)S TS32355 [1,0,0,0,0,0|0,1,1]=3 140 B6R0.3 CCC(C(=O)Cl)Br TS48787 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.3 CCC(C(=O)N)Cl TS04875 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.3 CCC(C(=O)N)N TS93870 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.3 CCC(C(=O)N)N TS94086 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.3 CCC(C(=O)O)Br TS12329 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.3 CCC(C(=O)O)N TS45781 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.3 CCC(C(=O)O)N TS47470 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 CCC(C(=O)O)O TS31670 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.3 CCC(C(=O)[O-])O TS05131 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.3 CCC(C)C(=O)C TS31518 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.3 CCC(C)C(=O)O TS03945 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.3 CCN(C)C(=O)Cl TS56394 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.3 CN(C)C(=O)CCl TS55283 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.3 CN(C)C(=O)CN TS00812 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.3 CN(C)C(=O)CN TS40036 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.3 COC(=O)C(=C)F TS31658 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.3 COC(=O)C(=O)N TS31629 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,0,0,0,0|1,0,2]=4 173 B8R0.2 CC(C(C(=O)OC)N)O TS45054 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.2 CC(C)C(C(=O)OC)Br TS59793 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.2 CC(C)C(C(=O)OC)N TS12449 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.2 CC(C)[C@@H](C(=O)OC)N TS94392 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.2 CC(C)[C@H](C(=O)OC)N TS59536 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.2 C[C@@H]([C@@H](C(=O)OC)N)O TS45052 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.2 C[C@@H]([C@H](C(=O)OC)N)O TS45050 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.2 C[C@H]([C@@H](C(=O)NC)N)O TS36672 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.3 CC(CCCl)C(=O)OC TS09965 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.3 CC(CCN)C(=O)CO TS36604 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,0,0,0,0|0,0,2]=3 187 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.3 COC(=O)C(CCBr)Br TS68328 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.3 COCC(C(=O)OC)Br TS53797 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.13 CCC(=O)C(C)(C)CC TS36331 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.13 CCC(C)(C(=O)OC)N TS43282 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.13 CC[C@@](C)(C(=O)OC)N TS12445 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.13 CC[C@](C)(C(=O)OC)N TS12450 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.20 CCC(=O)N(CC)CC TS36430 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.20 CCC(C(=O)OC)SC TS07492 [0,1,0,0,0,0|1,1,1]=4 215 B8R0.20 CCN(CC)C(=O)CCl TS40799 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.20 CCN(CC)C(=O)CN TS43165 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.20 CCN(CC)C(=O)CO TS36596 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.20 CCN(CC)C(=O)SC TS40577 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,0,1,0,0|0,0,0]=1 222 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,0,1,0,0|1,0,1]=3 223 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,0,1,0,0|1,0,1]=3 224 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|0,0,2]=3 225 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.5 C1CNCC(C1=O)F TS88150 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.5 CC1=C(CCCC1)C TS31858 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,0,1,0,0|1,0,1]=3 235 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|1,0,1]=3 237 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.5 CC1CNCCC1=O TS02832 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.5 CC1CNCCC1=O TS70671 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.5 CN1CCCCC1=O TS04393 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.5 CN1CCNCC1=O TS89214 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.11 CCC1=C(CCC1)C TS04224 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.11 CCC1CCCC1=O TS31928 [0,0,0,1,0,0|1,0,1]=3 247 B8R1.11 CCN1CCCC1=O TS32015 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.38 COC(=O)C1CCC1 TS32060 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.38 COC(=O)C1CCN1 TS01748 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.39 CC1(CC1)C(=O)OC TS60140 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.39 COC(=O)C1(CC1)Br TS94672 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.39 COC(=O)C1(CC1)N TS04521 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.39 COC(=O)C1(CC1)N TS16680 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.50 C1CN(C(=O)C1N)O TS04570 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [0,0,0,1,0,0|1,0,1]=3 260 B8R1.50 CC1CCC(=C1C)C TS31847 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.50 CC1CCC(=O)N1C TS04391 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.50 CN1C(CCC1=O)O TS04533 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.50 CN1CCN(C1=O)C TS32082 [0,0,0,1,0,0|3,0,0]=4 264 B8R0.19 C(C(=O)OC(=O)CBr)Br TS68324 [0,0,0,0,0,1|2,0,0]=3 265 B8R0.19 C(C(=O)OC(=O)CN)N TS32046 [0,0,0,0,0,1|2,0,0]=3 266 B8R0.19 CC(=CC(=O)OC)NC TS36410 [0,0,0,0,0,1|3,0,0]=4 267 B8R0.19 CCC(=O)CC(=O)CC TS36297 [0,0,0,0,0,1|0,0,0]=1 268 B8R0.19 CCC(=O)CC(=O)OC TS02305 [0,0,0,0,0,1|1,0,0]=2 269 B8R0.19 CCC(=O)OC(=O)CC TS39924 [0,0,0,0,0,1|0,0,0]=1 270 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,0,0,0,0,1|1,0,1]=3 272 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,0,0,0,0,1|2,0,1]=4 273 B8R0.19 CCC(C)NC(=O)CCl TS40798 [0,0,0,0,0,1|2,0,1]=4 274 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [0,0,0,0,0,1|1,0,2]=4 275 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [0,0,0,0,0,1|1,0,2]=4 276 B8R0.19 COC(=O)CC(=O)CCl TS56294 [0,0,0,0,0,1|2,0,0]=3 277 B8R0.19 COC(=O)CC(=O)OC TS22955 [0,0,0,0,0,1|2,0,0]=3 278 B8R0.19 COC(=O)OC(=O)OC TS05864 [0,0,0,0,0,1|2,0,0]=3 279 B5R0.1 CC(=CCBr)C TS00408 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.1 CC(=CCCl)C TS00047 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.1 CC(=CCN)C TS04881 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.1 CC(=CCN)C TS63606 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 CC(=CCN)C TS70656 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.1 CC(=CCO)C TS71763 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.1 CC(=CCO)Cl TS31734 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.1 CC(=CCS)C TS03985 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 CC(=O)C=NO TS03554 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|1,0,1]=4 291 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|1,0,1]=4 292 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|0,0,1]=3 298 B5R0.1 CC=CC(=O)Cl TS04051 [2,0,0,0,0,0|1,0,1]=4 299 B5R0.1 CC=CC(=O)N TS03508 [2,0,0,0,0,0|1,0,1]=4 300 B5R0.1 CC=CC(=O)O TS03526 [2,0,0,0,0,0|1,0,1]=4 301 B5R0.1 CC=CC(=O)[O-] TS05036 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.1 CCC=C(F)F TS03652 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|0,0,1]=3 307 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 315 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|1,1,0]=4 323 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|1,1,0]=4 324 B5R0.2 C(C=CCBr)Br TS39560 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.2 C(C=CCCl)Cl TS00388 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.2 C(C=CCCl)Cl TS55820 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.2 C(C=CCCl)N TS06635 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.2 C(C=CCCl)O TS31740 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.2 C(C=CCO)O TS33234 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.2 CC=CC=CC TS71681 [2,0,0,0,0,0|0,0,2]=4 331 B5R0.2 CC=CC=CC TS71684 [2,0,0,0,0,0|0,0,2]=4 332 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 333 B5R0.2 CCC=CC=C TS03467 [2,0,0,0,0,0|0,0,2]=4 334 B5R0.2 CCC=CC=O TS03498 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.3 C(C(=O)CBr)Br TS21961 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.3 C(C(=O)CCl)Cl TS36200 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.3 C(C(=O)CF)F TS03661 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.3 C(C(=O)CI)I TS60842 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.3 C(C(=O)CN)N TS11357 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.3 C(C(=O)CO)O TS46803 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.3 C=CC(=O)CBr TS00417 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.3 CC=C(C)C=O TS03488 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.3 CC=C(C=O)Cl TS04052 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.3 CC=C(CO)Br TS40966 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.3 CCC(=C)C=C TS71686 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,1]=3 357 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|0,0,0]=2 358 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,0]=2 360 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|1,0,0]=3 362 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|1,1,0]=4 366 B5R0.3 CCC(C)C=O TS03536 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.3 CCC(C)CC TS03546 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.3 CCC(CC)Br TS09988 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.3 CCC(CC)Cl TS31745 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.3 CCC(CC)F TS71849 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.3 CCC(CC)I TS18549 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.3 CCC(CC)N TS00440 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.3 CCC(CC)O TS00239 [2,0,0,0,0,0|0,0,2]=4 374 B5R0.3 CCC(CC)[Zn+] TS49169 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.3 CCN(C)CC TS71781 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 CCN(CC)O TS03599 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.3 CCP(CC)Cl TS36025 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.3 CC[Al](CC)Cl TS27650 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 CC[SiH](C)CC TS03988 [2,0,0,0,0,0|1,1,0]=4 381 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.5 C(=O)(C(=O)F)F TS71886 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.5 C(=O)(C(=O)N)N TS03568 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.5 C(=O)(C(=O)O)N TS01624 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.5 C(=O)(C(=O)O)O TS03614 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.5 C(=O)(C(=O)O)O TS07631 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.5 C(=O)(C(=O)O)O TS11826 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.5 C(=O)(C(=O)O)O TS40816 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.5 C(=O)(C(=O)O)O TS63351 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.5 CC(=C(C)Br)C TS07531 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.5 CC(=C(C)C)C TS71721 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.5 CC(=C(C)[NH3+])C TS04005 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.5 CC(=C)C(=C)C TS71685 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.5 CC(=C)C(=O)C TS03485 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.5 CC(=C)C(=O)Cl TS56226 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.5 CC(=C)C(=O)F TS03570 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.5 CC(=C)C(=O)N TS71737 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.5 CC(=C)C(=O)O TS56224 [2,0,0,0,0,0|2,0,0]=4 446 B5R0.5 CC(=C)C(=O)[O-] TS03649 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(=C)C(=O)[O-] TS04134 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(=C)C(=O)[O-] TS17588 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(=C)C(=O)[O-] TS17954 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.5 CC(=C)C(=O)[O-] TS20934 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.5 CC(=C)C(=O)[O-] TS25799 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.5 CC(=C)C(=O)[O-] TS35997 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.5 CC(=C)C(=O)[O-] TS45223 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.5 CC(=C)C(=O)[O-] TS60851 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.5 CC(=C)C(=O)[O-] TS67081 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.5 CC(=C)C(=O)[O-] TS68528 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.5 CC(=C)C(=O)[O-] TS70135 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.5 CC(=C)C(=O)[O-] TS78671 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.5 CC(=O)C(=O)C TS03530 [2,0,0,0,0,0|0,0,0]=2 460 B5R0.5 CC(=O)C(=O)O TS71795 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.5 CC(=O)C(=O)[O-] TS04176 [2,0,0,0,0,0|1,0,0]=3 462 B5R0.5 CC(=O)C(=O)[O-] TS36114 [2,0,0,0,0,0|1,0,0]=3 463 B5R0.5 CC(=O)C(=O)[O-] TS44476 [2,0,0,0,0,0|1,0,0]=3 464 B5R0.5 CC(=O)C(=O)[O-] TS71885 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.5 CC(=O)N(C)C TS03557 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.5 CC(C(=O)C)Br TS40972 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.5 CC(C(=O)C)Cl TS31738 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.5 CC(C(=O)C)F TS71828 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.5 CC(C(=O)C)O TS03581 [2,0,0,0,0,0|0,0,2]=4 470 B5R0.5 CC(C(=O)C)S TS60015 [2,0,0,0,0,0|0,1,1]=4 471 B5R0.5 CC(C)C(=O)C TS39716 [2,0,0,0,0,0|1,0,1]=4 472 B7R0.2 CC(=CC(=O)OC)C TS08562 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.2 CC(=CC(=O)OC)N TS08575 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.2 CCC(=C)CC(C)C TS04352 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|0,0,2]=4 484 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.3 C(C=CC(=O)CCl)N TS64929 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.3 CCC#CC(=O)OC TS31922 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.3 CCC(=CCC=C)C TS04221 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.3 CCC(=O)OCC#C TS31921 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.3 CCC(=O)OCC=C TS04450 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.3 CCC=CC(C)CC TS31968 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,1]=3 497 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|0,0,1]=3 503 B7R0.3 COC(=O)C=CCBr TS47660 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.3 COC(=O)C=CCBr TS93086 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.3 COC(=O)CCSC TS05919 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.3 COC=CC(=O)OC TS32188 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.3 COCCC(=O)OC TS32322 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.5 CCC=C(C)C(C)C TS31953 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.5 CCC=C(C)C(C)O TS04482 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.5 CCCC(=C)C(C)C TS04341 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,1,0,0,0,0|0,0,2]=4 516 B7R0.5 CCCC(=O)C(C)C TS32114 [1,1,0,0,0,0|0,0,1]=3 517 B7R0.5 CCCC(=O)N(C)C TS32149 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.5 CCOC(=O)C(C)C TS32217 [1,1,0,0,0,0|1,0,0]=3 524 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,1,0,0,0,0|1,0,0]=3 525 B7R0.5 CCOC(=O)C(C)F TS32420 [1,1,0,0,0,0|1,0,0]=3 526 B7R0.5 CCOC(=O)C(C)N TS55877 [1,1,0,0,0,0|1,0,0]=3 527 B7R0.5 CCOC(=O)C(C)O TS04714 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.5 CCOC(=O)C(C)S TS05920 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.5 CCOC(=O)C(F)F TS39847 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.5 CCOC(=O)C(F)I TS53245 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.7 C(CCl)C(=O)CCCl TS46816 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|0,0,1]=3 543 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|0,0,1]=3 544 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|0,1,1]=4 546 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|0,1,1]=4 547 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.7 CCNC(=O)NCC TS04609 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.7 CCNC(=S)NCC TS05780 [1,1,0,0,0,0|1,1,0]=4 551 B7R0.7 CCOC(=C)OCC TS56207 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.7 CCOC(=O)C#CC TS08727 [1,1,0,0,0,0|0,0,2]=4 553 B7R0.7 CCOC(=O)C=CC TS04436 [1,1,0,0,0,0|0,0,1]=3 554 B7R0.7 CCOC(=O)C=CI TS52258 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.7 CCOC(=O)CC#C TS31911 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.7 CCOC(=O)CC#N TS32007 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.7 CCOC(=O)CC=C TS04444 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|1,0,0]=3 560 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|1,0,0]=3 562 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|1,0,0]=3 563 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|1,0,0]=3 564 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|1,0,0]=3 565 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|1,0,0]=3 567 B7R0.7 CCOC(=O)CNN TS56149 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|1,0,0]=3 569 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|1,0,0]=3 570 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.7 CCOC(=O)NOC TS32378 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|1,0,0]=3 573 B7R0.7 CCOC(=O)OCCl TS37245 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.7 CCOS(=O)OCC TS06288 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.7 CCSC(=O)SCC TS40933 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.12 CCC=C(CC)CC TS04344 [1,1,0,0,0,0|1,0,0]=3 577 B7R0.14 CCC(=O)C(C)(C)C TS04479 [1,1,0,0,0,0|1,0,1]=4 578 B7R0.15 CCC(=C(C)C)CC TS31979 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.15 CCC(CC)C(=O)C TS04458 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.15 CCN(CC)C(=O)C TS32172 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.16 CC(C(=O)N(C)C)O TS32283 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.16 CC(C)C(=C(C)C)C TS31980 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.16 CC(C)C(=O)C(C)C TS04472 [1,1,0,0,0,0|1,0,1]=4 588 B9R0.26 CCC(=CC(=O)OC)OC TS06937 [0,1,0,0,0,1|1,0,1]=4 589 B9R0.27 CC(C(=O)OC)C(=O)OC TS55815 [0,1,0,0,0,1|2,0,0]=4 590 B9R0.27 CCC(=O)C(C(=O)OC)F TS07403 [0,1,0,0,0,1|1,0,0]=3 591 B9R0.27 COC(=O)C(=C)C(=O)OC TS40143 [0,1,0,0,0,1|2,0,0]=4 592 B9R0.27 COC(=O)C(C(=O)OC)Br TS43934 [0,1,0,0,0,1|2,0,0]=4 593 B9R0.27 COC(=O)C(C(=O)OC)Cl TS12299 [0,1,0,0,0,1|2,0,0]=4 594 B9R0.27 COC(=O)C(C(=O)OC)F TS59531 [0,1,0,0,0,1|2,0,0]=4 595 B9R0.27 COC(=O)C(C(=O)OC)N TS15183 [0,1,0,0,0,1|2,0,0]=4 596 B9R0.27 COC(=O)C(C(=O)OC)N TS40497 [0,1,0,0,0,1|2,0,0]=4 597 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,1,0,0,0,1|0,0,0]=2 598 B9R0.34 CCC(=O)OC(C)COC TS40422 [0,1,0,0,0,1|1,0,1]=4 599 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [0,1,0,0,0,1|1,0,0]=3 600 B9R0.34 CCOC(=O)C=C(C)CBr TS20309 [0,1,0,0,0,1|2,0,0]=4 601 B9R0.34 CCOC(=O)C=C(C)NC TS02839 [0,1,0,0,0,1|2,0,0]=4 602 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,1,0,0,0,1|1,0,0]=3 603 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,1,0,0,0,1|1,0,0]=3 604 B9R0.34 CCOC(=O)CC(=O)NN TS40379 [0,1,0,0,0,1|2,0,0]=4 605 B9R0.34 CCOC(=O)NC(=O)CCl TS42960 [0,1,0,0,0,1|1,0,0]=3 606 B9R0.34 COCC(=O)CC(=O)OC TS07163 [0,1,0,0,0,1|1,0,0]=3 607 B9R0.42 CC(C(=O)CC(=O)OC)Br TS43586 [0,1,0,0,0,1|1,0,0]=3 608 B9R0.42 CC(C)C(=O)CC(=O)OC TS06942 [0,1,0,0,0,1|1,0,0]=3 609 B9R0.42 CCC(=O)OC(C(C)C)Cl TS11955 [0,1,0,0,0,1|1,0,1]=4 610 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.25 COC(=O)C(=O)C(F)(F)F TS01564 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.29 CCC(C(=O)C)C(=O)OC TS06940 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|1,0,1]=4 622 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.23 CC(=O)CC(=O)C(=O)OC TS40145 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.23 CC=C(C)C(=O)OC(C)C TS06716 [0,2,0,0,0,0|1,0,1]=4 626 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|0,0,0]=2 629 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|0,0,2]=4 630 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|1,0,1]=4 633 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|0,0,0]=2 637 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.37 CCC(CC)C(=O)OCC TS40212 [0,2,0,0,0,0|1,0,1]=4 642 B9R0.37 CCCC(=O)C(CC)CC TS06749 [0,2,0,0,0,0|1,0,1]=4 643 B9R0.37 CCCC(=O)N(CC)CC TS40109 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.37 CCN(CC)C(=O)CCN TS14701 [0,2,0,0,0,0|2,0,0]=4 645 B7R1.1 C1CC=C(C1)CBr TS90531 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,0]=3 647 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|0,0,1]=3 649 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|1,0,0]=3 653 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|1,0,1]=4 657 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|1,0,1]=4 658 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|1,0,1]=4 659 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|1,0,1]=4 660 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|0,0,1]=3 662 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,1]=3 664 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,0]=3 666 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.3 C1CNC(=O)CN1 TS59349 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|1,0,1]=4 670 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|1,0,1]=4 671 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.3 C1COCC(=O)N1 TS01573 [1,0,0,1,0,0|2,0,0]=4 675 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|1,0,1]=4 676 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|1,0,1]=4 677 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|1,0,1]=4 678 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|1,0,1]=4 679 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,1]=4 689 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,0]=3 691 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,0]=3 692 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|1,0,1]=4 694 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,1]=4 695 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|1,0,1]=4 696 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|1,0,1]=4 697 B7R1.19 CC(=O)C1(CC1)C TS31439 [1,0,0,1,0,0|1,0,1]=4 698 B9R1.2 CCN1CCCC(=O)C1 TS11774 [0,0,0,1,0,1|2,0,0]=4 699 B9R1.2 CCN1CCCC(=O)C1 TS36243 [0,0,0,1,0,1|2,0,0]=4 700 B9R1.2 COC1=CC(=O)CCC1 TS05158 [0,0,0,1,0,1|2,0,0]=4 701 B9R1.21 CCc1ccc(s1)CC TS37431 [0,0,0,1,0,1|2,0,0]=4 702 B9R1.21 CCc1cnc(s1)CC TS06618 [0,0,0,1,0,1|2,0,0]=4 703 B9R1.23 CC1C(=O)OC(=N1)CN TS05316 [0,0,0,1,0,1|2,0,0]=4 704 B9R1.37 CC1=C(C(=O)OC1=O)C TS22983 [0,0,0,1,0,1|0,0,2]=4 705 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,0,0,1,0,1|1,0,1]=4 706 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,0,0,1,0,1|0,0,0]=2 707 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,0,0,1,0,1|0,0,0]=2 708 B9R1.69 C1CC(=O)NC(=O)C1N TS42830 [0,0,0,1,0,1|1,0,0]=3 709 B9R1.69 C1CC(=O)NC(=O)C1N TS86733 [0,0,0,1,0,1|1,0,0]=3 710 B9R1.69 C1CC(=O)NC(=O)C1N TS93583 [0,0,0,1,0,1|1,0,0]=3 711 B9R1.69 C1CC(=O)NC(=O)C1N TS93593 [0,0,0,1,0,1|1,0,0]=3 712 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,0,0,1,0,1|1,0,1]=4 713 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,1,0,1|1,0,1]=4 714 B9R1.69 CC1CNC(=O)NC1=O TS36286 [0,0,0,1,0,1|1,0,0]=3 715 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,0,0,1,0,1|1,0,1]=4 716 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,0,0,1,0,1|1,0,1]=4 717 B9R1.3 C1CC(=C(C(=O)C1)Cl)O TS07278 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|0,0,0]=2 719 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.41 CC(C)N1CCCC1=O TS36238 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [0,1,0,1,0,0|0,0,1]=3 722 B9R1.138 CC1(COC(=O)C1=O)C TS36274 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.15 C1CC(=[N+]=[N-])C(=O)NC1 TS36050 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [0,1,0,1,0,0|0,0,1]=3 733 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.15 C=CN1CCCCC1=O TS36060 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|0,0,2]=4 738 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|0,0,2]=4 739 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|0,1,1]=4 740 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.33 CCCN1CCCC1=O TS05280 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.74 CCOC(=O)C1(CC1)C TS77135 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.74 CCOC(=O)C1(CC1)N TS00390 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,1,0,1,0,0|1,0,1]=4 746 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,1,0,1,0,0|0,0,2]=4 747 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.27 C1CC(=O)N(C1=O)CO TS05432 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.27 CCC1=C(CNC1=O)C TS16736 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.27 CCC1C(=O)CCC1=O TS36119 [0,1,0,1,0,0|0,0,1]=3 752 B9R1.27 CCN1C(=O)CCC1=O TS36229 [0,1,0,1,0,0|1,0,0]=3 753 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|0,0,2]=4 754 B9R0.24 CCC(C)COC(=O)CC TS40204 [0,0,0,0,0,2|1,0,1]=4 755 B9R0.24 COC(=O)C#CC(=O)OC TS55715 [0,0,0,0,0,2|2,0,0]=4 756 B9R0.24 COC(=O)C=CC(=O)OC TS06931 [0,0,0,0,0,2|2,0,0]=4 757 B9R0.24 COC(=O)C=CC(=O)OC TS33235 [0,0,0,0,0,2|2,0,0]=4 758 B9R0.24 COC(=O)CCC(=O)CN TS59714 [0,0,0,0,0,2|2,0,0]=4 759 B9R0.24 COC(=O)CCC(=O)OC TS40376 [0,0,0,0,0,2|2,0,0]=4 760 B9R0.24 COC(=O)CNC(=O)CN TS48358 [0,0,0,0,0,2|2,0,0]=4 761 B9R0.24 COC(=O)N=NC(=O)OC TS40364 [0,0,0,0,0,2|2,0,0]=4