0 B8R0.6 CCCCCC(=O)NN PI-50287 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 CCCCC(=O)NN PI-50263 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 COC(=O)CCC#C PI-39349 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.3 COC(=O)CCC=O PI-48276 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.3 COC(=O)CCCBr PI-44980 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCCN PI-42165 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 COC(=O)CCSC PI-45979 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 COC(=O)\C=C\CBr PI-10946 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.3 CO\C=C\C(=O)OC PI-37579 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.3 O=C(OC)CCNC PI-40057 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CC(=O)CCCCCl PI-28023 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,0,0,0,0|0,0,3]=4 15 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 CCO\C=C\C(=O)O PI-41236 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 COCCOC(=O)C PI-12910 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,1,0,0,0,0|0,0,1]=2 29 B9R0.34 CCCC(CC(=O)OC)O PI-45929 [0,1,0,0,0,0|0,0,2]=3 30 B9R0.46 COC(=O)CCCCCO PI-45931 [0,1,0,0,0,0|0,0,2]=3 31 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,1,0,0,0,0|0,0,2]=3 32 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.5 CN1CCCCCC1=O PI-15330 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.5 CN1CCCNCC1=O PI-34063 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,0,0,1,0,0|0,0,2]=3 39 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,0,0,1,0,0|0,0,0]=1 42 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,0,0,1,0,0|1,0,1]=3 48 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,0,0,1,0,0|1,0,1]=3 49 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,0,0,1,0,0|1,0,1]=3 51 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,0,0,1,0,0|1,0,2]=4 57 B6R0.6 CC=CC=CCO PI-24146 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCC\C=C\C=O PI-40157 [2,0,0,0,0,0|0,0,0]=2 59 B6R0.1 CC#CC(=O)OC PI-48956 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.1 CCCC(=O)NN PI-23070 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 CCCC(=O)SC PI-48512 [2,0,0,0,0,0|0,1,0]=3 62 B6R0.1 CCOC(=O)NC PI-50343 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 CNCC(=O)OC PI-45586 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.1 COC(=O)CCN PI-31148 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.1 O=C(OC)CCO PI-41038 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 BrC\C=C\C(=O)O PI-36796 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 CC(NCCS)=O PI-37034 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CC=CCC(=O)O PI-47130 [2,0,0,0,0,0|0,0,2]=4 69 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.4 CCCNC(=O)N PI-19783 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CCNCC(=O)O PI-43211 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [1,1,0,0,0,0|0,0,1]=3 87 B8R0.19 CCC(CC(=O)OC)O PI-42251 [1,1,0,0,0,0|0,0,1]=3 88 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [1,1,0,0,0,0|0,0,1]=3 89 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.19 COC(=O)CC(CCl)O PI-24655 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.28 CC(C)CCCC(=O)C PI-47229 [1,1,0,0,0,0|0,0,2]=4 97 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [0,2,0,0,0,0|0,0,2]=4 99 B10R0.1 CCOC(=O)CCCCCO PI-45932 [0,2,0,0,0,0|0,0,2]=4 100 B10R0.2 CCCC(=O)CC(=O)OCC PI-45789 [0,2,0,0,0,0|0,0,1]=3 101 B10R0.2 CCCC(CC(=O)OCC)O PI-45930 [0,2,0,0,0,0|0,0,2]=4 102 B10R0.2 CCOC(=N)CC(=O)OCC PI-18369 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.2 CCOC(=O)OC(=O)OCC PI-42475 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.19 CCCCC(=O)C(=O)OCC PI-33911 [0,2,0,0,0,0|0,0,1]=3 105 B10R0.19 CCCCC(C(=O)OCC)Br PI-19765 [0,2,0,0,0,0|0,0,2]=4 106 B10R0.83 COC(=O)C(CCCCN)N PI-33226 [0,2,0,0,0,0|0,0,2]=4 107 B10R0.83 COC(=O)C(CCCCN)N PI-42164 [0,2,0,0,0,0|0,0,2]=4 108 B8R1.1 CCC1COC(=O)O1 PI-50185 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.1 COC1=CC(=O)NC1 PI-13575 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.1 COC1=CC(=O)OC1 PI-27853 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.3 CC1CCC(=O)CC1 PI-37804 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.38 COC(=O)C1CNC1 PI-40197 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.38 COC(=O)C1CNC1 PI-43200 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.40 COC(=O)NC1CC1 PI-17914 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,1,0,0|0,0,0]=2 121 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,1,0,0|0,0,2]=4 125 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|1,0,1]=4 127 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,1,0,0|0,0,2]=4 128 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.14 COC(=O)C1CC(CN1)O PI-14274 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O PI-39281 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,1,0,0|0,0,2]=4 132 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@@H](F)C1 PI-36946 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@H](F)C1 PI-36789 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.11 CCOC(=O)[C@@H]1CCCN1 PI-33223 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.130 CCCC1=CC(=O)OC1O PI-45997 [0,1,0,1,0,0|0,0,0]=2 140 B10R1.245 CC1=C(C(=O)C=CN1)OC PI-40244 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.15 COC(=O)C1=CCCCO1 PI-36381 [0,1,0,1,0,0|0,0,0]=2 142 B10R1.15 COC(=O)C1CCCCC1 PI-34205 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.15 COC(=O)C1CCCCN1 PI-25279 [0,1,0,1,0,0|0,0,2]=4 144 B10R1.15 COC(=O)C1CCCCN1 PI-33279 [0,1,0,1,0,0|0,0,2]=4 145 B10R1.15 COC(=O)C1CCCNC1 PI-25618 [0,1,0,1,0,0|0,0,2]=4 146 B10R1.15 COC(=O)C1CCNCC1 PI-24303 [0,1,0,1,0,0|0,0,2]=4 147 B10R1.15 COC(=O)C1CCOCC1 PI-40558 [0,1,0,1,0,0|0,0,2]=4 148 B10R1.15 COC(=O)C1CNCCN1 PI-36154 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.15 COC(=O)N1CCNCC1 PI-43190 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.15 COC(=O)[C@@H]1CCCCN1 PI-25280 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.411 COC(=O)C1(CCCC1)N PI-34598 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.411 C[C@]1(CCCN1)C(=O)OC PI-48346 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.131 CCCC1=NN(C(=O)C1)C PI-19427 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.134 COC(=O)CC(=O)C1CC1 PI-33756 [0,1,0,1,0,0|0,0,1]=3 156 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,1,0,1,0,0|0,0,2]=4 157 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,1,0,1,0,0|0,0,2]=4 158 B10R1.149 CC1=C(SC=N1)C(=O)OC PI-11143 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.149 CN1C=CN=C1C(=O)OC PI-45283 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.149 COC(=O)C1CCCC1=O PI-12298 [0,1,0,1,0,0|0,0,1]=3 162 B10R1.149 COC(=O)C1CNCC1C PI-36282 [0,1,0,1,0,0|0,0,2]=4 163 B10R1.149 COC(=O)C1CSCC1=O PI-26370 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.149 COC(=O)C1SCCC1=O PI-40296 [0,1,0,1,0,0|1,0,1]=4