0 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(N)C(C)N Z2335631664 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 NC(=S)C(=S)N Z56347000 [0,0,0,0,0,0|1,2,0]=3 25 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|0,0,0]=1 34 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|0,0,1]=2 35 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|0,0,3]=4 40 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|0,0,1]=2 42 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|0,1,1]=3 44 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|0,0,3]=4 55 B4R0.1 ClC=C(Cl)Cl Z104473870 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CN(C)C(=N)CN Z220638406 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CNC(=N)N(C)C Z3380814034 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 CNC(=O)C(C)N Z105197440 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 CNC(=O)C(C)O Z431951884 [0,1,0,0,0,0|0,0,2]=3 94 B6R0.3 CNC(=O)C(F)F Z32016385 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|0,0,2]=3 113 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,1,0,0,0,0|2,0,1]=4 132 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|2,0,1]=4 133 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,1|2,0,0]=3 134 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,1|2,0,0]=3 135 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,1|1,0,0]=2 136 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,1|2,0,0]=3 137 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,1|1,0,0]=2 138 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,1|1,0,1]=3 139 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,1|1,0,0]=2 140 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,1|0,0,0]=1 141 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,1|2,0,1]=4 142 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,1|1,0,1]=3 143 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,1|2,0,1]=4 144 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,1|2,0,1]=4 145 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,1|1,0,1]=3 146 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,1|1,1,1]=4 147 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,1|1,0,1]=3 148 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,1|2,0,1]=4 149 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,1|2,0,1]=4 150 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,1|2,0,0]=3 151 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,1|3,0,0]=4 152 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,1|1,0,0]=2 153 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,1|2,0,1]=4 154 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,1|3,0,0]=4 155 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,1|2,0,0]=3 156 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,0,0,0,0,1|3,0,0]=4 157 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,1|1,0,0]=2 158 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,1|1,0,0]=2 159 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,1|1,0,0]=2 160 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,1|3,0,0]=4 161 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,1|3,0,0]=4 162 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,1|2,0,0]=3 163 B3R0.1 I/C=C/I Z2417817184 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|1,0,1]=4 165 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|0,0,0]=2 166 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,1]=3 167 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 168 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.1 CC#CC(=O)N Z1203579284 [1,1,0,0,0,0|0,0,1]=3 173 B5R0.1 CC(=CC#N)C Z851014248 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 CCCC(=N)N Z1198394172 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 CCNC(=N)N Z2574931373 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 CCOC(=N)N Z1741973543 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|0,0,1]=3 183 B5R0.1 CCSC(=N)N Z1708092306 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|0,0,1]=3 185 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|0,0,1]=3 188 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CSCC(=N)N Z1459934800 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|0,0,1]=3 192 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 N=C(N)NC=O Z1203578554 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|0,0,1]=3 196 B5R0.1 NCC=C(Cl)Cl Z2469606492 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.1 NCC=C(F)F Z4511316967 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|0,0,1]=3 199 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.3 C/N=C(\N)/SC Z107728770 [1,1,0,0,0,0|1,1,0]=4 208 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|0,0,1]=3 213 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.3 CNC(=N)NN Z2301534051 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|0,1,1]=4 219 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|0,0,1]=3 220 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.4 C=CS(=O)(=O)C Z608051272 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.4 CNS(=O)(=O)N Z56762361 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.4 COS(=O)(=O)N Z300238034 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.4 CS(=O)(=O)NN Z283687760 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,1|0,0,1]=3 229 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,1|1,0,0]=3 230 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,1,0,0,0,1|1,0,1]=4 231 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,1|1,0,1]=4 232 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,1|1,0,1]=4 233 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,1|2,0,0]=4 234 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,1|1,0,0]=3 235 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,1|1,0,1]=4 236 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,1|2,0,0]=4 237 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,1|1,0,0]=3 238 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,1|1,0,0]=3 239 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,1|1,0,1]=4 240 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,1|0,0,0]=2 241 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,1|1,0,1]=4 242 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,1|1,0,0]=3 243 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,1|1,0,1]=4 244 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,1|0,0,0]=2 245 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,1|0,0,0]=2 246 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,1|1,0,1]=4 247 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,1|1,0,1]=4 248 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,1,0,0,0,1|2,0,0]=4 249 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,1,0,0,0,1|2,0,0]=4 250 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,1|2,0,0]=4 251 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,1,0,0,0,1|1,1,0]=4 252 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,1,0,0,0,1|2,0,0]=4 253 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,1|2,0,0]=4 254 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,1|2,0,0]=4 255 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,1|1,0,0]=3 256 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,1|1,0,0]=3 257 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,1|1,0,0]=3 258 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,1|2,0,0]=4 259 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,1|2,0,0]=4 260 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,1|1,0,1]=4 261 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,1|1,0,1]=4 262 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,1|1,0,0]=3 263 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,1|2,0,0]=4 264 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|0,0,0]=2 271 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|0,0,2]=4 280 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|0,0,2]=4 285 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|0,1,1]=4 286 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|0,1,1]=4 288 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|0,0,2]=4 289 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|0,0,2]=4 301 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.2 CC1=CC(=NN1)C Z50145988 [0,0,0,1,0,1|2,0,0]=4 303 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,0,0,1,0,1|1,0,1]=4 304 B7R1.2 CC1=CC(=NS1)N Z1198165856 [0,0,0,1,0,1|1,1,0]=4 305 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,1|0,0,1]=3 306 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,0,0,1,0,1|2,0,0]=4 307 B7R1.2 CC1=CN=C(S1)N Z104500072 [0,0,0,1,0,1|2,0,0]=4 308 B7R1.2 CC1=CNC(=N1)C Z217301646 [0,0,0,1,0,1|2,0,0]=4 309 B7R1.2 CC1=CNC(=N1)N Z2515238565 [0,0,0,1,0,1|2,0,0]=4 310 B7R1.2 CC1=CNC(=N1)S Z1198163268 [0,0,0,1,0,1|1,1,0]=4 311 B7R1.2 CC1=CSC(=N1)N Z48847548 [0,0,0,1,0,1|1,1,0]=4 312 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,1|2,0,0]=4 313 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,0,0,1,0,1|1,0,1]=4 314 B7R1.2 CC1=NC(=NS1)N Z1198313987 [0,0,0,1,0,1|1,1,0]=4 315 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,1|1,0,0]=3 316 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,0,0,1,0,1|2,0,0]=4 317 B7R1.2 CC1=NN=C(N1)N Z951367902 [0,0,0,1,0,1|2,0,0]=4 318 B7R1.2 CC1=NN=C(O1)N Z56957510 [0,0,0,1,0,1|2,0,0]=4 319 B7R1.2 CC1=NN=C(S1)N Z56900928 [0,0,0,1,0,1|2,0,0]=4 320 B7R1.2 CC1=NNC(=C1)N Z55423088 [0,0,0,1,0,1|2,0,0]=4 321 B7R1.2 CC1=NNC(=N1)C Z57161895 [0,0,0,1,0,1|2,0,0]=4 322 B7R1.2 CC1=NNC(=N1)S Z55982146 [0,0,0,1,0,1|1,1,0]=4 323 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,1|1,0,0]=3 324 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,1|1,0,0]=3 325 B7R1.2 CC1=NOC(=C1)N Z118429566 [0,0,0,1,0,1|1,0,1]=4 326 B7R1.2 CC1=NOC(=N1)N Z339356524 [0,0,0,1,0,1|1,0,1]=4 327 B7R1.2 CC1=NSC(=C1)N Z204042038 [0,0,0,1,0,1|1,1,0]=4 328 B7R1.2 CC1=NSC(=N1)N Z431702718 [0,0,0,1,0,1|1,1,0]=4 329 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,1|1,0,1]=4 330 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,1|1,0,1]=4 331 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,1|1,0,1]=4 332 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,1|1,0,1]=4 333 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,1|1,0,1]=4 334 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,1|1,0,0]=3 335 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,1,0,1|2,0,0]=4 336 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,1|1,0,0]=3 337 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,1|0,1,0]=3 338 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,1|1,0,0]=3 339 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,1|1,0,1]=4 340 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,1|1,0,1]=4 341 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,1|1,0,1]=4 342 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,1|1,0,0]=3 343 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,1|0,0,2]=4 344 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,1|1,0,0]=3 345 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,1|1,0,0]=3 346 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,1|0,0,0]=2 347 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,1|0,1,0]=3 348 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,1|1,0,0]=3 349 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,1|1,0,0]=3 350 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,0,0,1,0,1|1,1,0]=4 351 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,1,0,1|1,1,0]=4 352 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,1,0,1|1,0,1]=4 353 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,1|1,0,0]=3 354 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,1|1,0,1]=4 355 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,1|1,0,1]=4 356 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,1|1,0,1]=4 357 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,1|1,0,1]=4 358 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.4 CC1=C(NN=N1)N Z2527856121 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,1,0,1,0,0|1,1,0]=4 365 B7R1.4 CC1=CNC=C1C Z1198162792 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.4 CC1=CON=C1N Z995041844 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.4 CC1=CSC=C1N Z1492796718 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.4 CC1=NNC=C1N Z600615694 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.4 CC1=NOC=C1N Z2466617876 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.4 CC1=NON=C1N Z57948408 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.4 CC1=NSC=C1N Z2737427927 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.4 CN1C=CNC1=O Z1198329852 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 CN1C=NNC1=O Z1526503443 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.4 NC1=CNNC1=O Z2216303144 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|1,0,1]=4 397 B7R0.6 CC(=NNC(=S)N)C Z57128338 [0,0,0,0,0,2|1,1,0]=4 398 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,2|1,0,0]=3 399 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,2|1,0,0]=3 400 B7R0.6 CC(=O)NNC(=N)S Z89271887 [0,0,0,0,0,2|0,1,1]=4 401 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,2|0,1,0]=3 402 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,2|1,0,1]=4 403 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,2|1,0,1]=4 404 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,2|2,0,0]=4 405 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,2|2,0,0]=4 406 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,2|2,0,0]=4 407 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,2|2,0,0]=4 408 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,2|1,0,0]=3 409 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,2|1,0,0]=3 410 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,2|2,0,0]=4 411 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,2|2,0,0]=4