0 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.4 CC1CC(O)CCO1 HR120725 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.4 CC1CC(O)CCO1 HR121039 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.4 CC1CCCC(C)C1 HR101015 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.4 CC1CCCC(C)N1 HR120277 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.4 CC1CCCC(C)N1 HR140810 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.4 CC1CCCC(N)C1 HR115864 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.4 CC1CCNC(C)C1 HR147221 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.4 CC1CNCC(C)C1 HR135144 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.4 CC1CNCC(C)N1 AZSA05905 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 CC1CNCC(C)N1 HR100911 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 CC1CNCC(C)N1 HR145920 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.4 CC1CNCC(C)N1 HR145953 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.4 CC1CNCC(C)N1 HR145954 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.4 CC1CNCC(C)N1 HR146177 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.4 CC1CNCC(C)O1 HR130869 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.4 CC1CNCC(C)O1 HR133276 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.4 CC1CNCC(C)O1 HR145914 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.4 CC1CNCC(C)O1 HR145915 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.4 CC1COCC(C)N1 HR103943 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.4 CC1COCC(C)N1 HR117011 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.4 CC1COCC(C)N1 HR117332 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.4 CC1COCC(C)N1 HR146138 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.4 CN1CCC=C(Br)C1 HR149222 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.4 CN1CCCC(N)C1 HR114038 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.4 CN1CCCC(N)C1 HR119195 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.4 CN1CCCC(N)C1 HR146131 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.4 CN1CCCC(O)C1 HR119067 [0,0,0,0,0,0|1,0,2]=3 32 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.4 NC1CCCC(N)C1 HR146008 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.4 NC1CCCC(O)C1 HR12673 [0,0,0,0,0,0|1,0,2]=3 36 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.4 NN1CCCC(F)C1 HR149279 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,0,0,0|1,0,1]=2 41 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.4 O=C1CCNC(=O)N1 HR117246 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.4 O=C1CNCC(=O)N1 HR106334 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.4 O=C1COCC(=O)C1 HR103955 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.4 O=C1COCC(=O)O1 HR104159 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.4 OC1CCCC(O)C1 HR133806 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.3 BrC1C=CCCC1 HR103088 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.3 BrC1CCCCC1 HR130726 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.3 BrC1CCCOC1 HR120914 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 BrC1CCNCC1 HR9060 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 BrC1CCOCC1 HR116270 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.3 C=C1CCNCC1 HR142260 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 CC1=CCC=CC1 HR142661 [1,0,0,0,0,0|0,0,3]=4 58 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.3 CC1CCCCN1 HR103733 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.3 CC1CCCCN1 HR128173 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.3 CC1CCCCN1 HR149767 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.3 CC1CCCCN1 ROXF00402 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.3 CC1CCCNC1 HR146011 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 CC1CNCCN1 HR127903 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 CC1CNCCN1 HR128397 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 CC1CNCCO1 HR108818 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 CC1CNCCO1 HR116772 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 CC1CNCCO1 HR145331 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 CC1CNCCO1 HR17028 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 CC1CNCCO1 HR17029 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 CC1COCCN1 HR104376 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 CC1COCCN1 HR113604 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 CC1COCCN1 HR11363 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 CC1COCCN1 HR17226 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 CC1COCCN1 HR17244 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 CC1OCCCO1 HR144647 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.3 CN1CC=CCC1 HR147169 [1,0,0,0,0,0|1,0,1]=3 78 B7R1.3 CN1CCCNC1 AZXF00305 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 CN1CCNCC1 PECQ01202 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.3 CN1CCOCC1 HR122939 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.3 ClC1CCCCC1 HR135558 [1,0,0,0,0,0|1,0,1]=3 83 B7R1.3 ClC1CCCOC1 HR146388 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 ClC1CCNCC1 HR101047 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.3 ClC1CCNCC1 HR111254 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.3 ClC1CCOCC1 EDCQ03603 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.3 FC1CCCNC1 HR105776 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 FC1CCCNC1 HR151296 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 FC1CCNCC1 HR103784 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.3 FC1CCNCC1 HR111399 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.3 IC1CCOCC1 HR108494 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.3 NC1=NCCCN1 HR113903 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 NC1CCCCC1 HR124720 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.3 NC1CCCCC1 HR128823 [1,0,0,0,0,0|1,0,1]=3 95 B7R1.3 NC1CCCCC1 HR144083 [1,0,0,0,0,0|1,0,1]=3 96 B7R1.3 NC1CCCCC1 HR145293 [1,0,0,0,0,0|1,0,1]=3 97 B7R1.3 NC1CCCCN1 HR113207 [1,0,0,0,0,0|2,0,1]=4 98 B7R1.3 NC1CCCNC1 HR112662 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.3 NC1CCCNC1 HR11476 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.3 NC1CCCNC1 HR120946 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.3 NC1CCCNC1 HR134664 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.3 NC1CCCNC1 HR142505 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.3 NC1CCCNC1 HR3013 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.3 NC1CCCOC1 HR101943 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.3 NC1CCCOC1 HR105701 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 NC1CCCOC1 HR114985 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.3 NC1CCCOC1 HR121806 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.3 NC1CCNCC1 HR117691 [1,0,0,0,0,0|2,0,1]=4 109 B7R1.3 NC1CCNCC1 HR127718 [1,0,0,0,0,0|2,0,1]=4 110 B7R1.3 NC1CCOCC1 HR113158 [1,0,0,0,0,0|2,0,1]=4 111 B7R1.3 NC1CCOCC1 HR133397 [1,0,0,0,0,0|2,0,1]=4 112 B7R1.3 NC1CCOCC1 HR9558 [1,0,0,0,0,0|2,0,1]=4 113 B7R1.3 NC1CNCCN1 HR114609 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.3 NN1CCCCC1 HR126890 [1,0,0,0,0,0|2,0,0]=3 115 B7R1.3 NN1CCCCC1 HR127151 [1,0,0,0,0,0|2,0,0]=3 116 B7R1.3 NN1CCNCC1 HR110256 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.3 NN1CCOCC1 HR130001 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,0,0,0|0,0,2]=3 119 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,0,0,0|0,0,0]=1 120 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,0,0,0|1,0,0]=2 121 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,0,0,0|1,0,0]=2 122 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,0,0,0|1,0,0]=2 123 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,0,0,0|1,0,0]=2 124 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,0,0,0|1,0,0]=2 125 B7R1.3 O=C1CCNCC1 CESA03001 [1,0,0,0,0,0|1,0,0]=2 126 B7R1.3 O=C1CCNCC1 HR105315 [1,0,0,0,0,0|1,0,0]=2 127 B7R1.3 O=C1CCNCC1 HR7756 [1,0,0,0,0,0|1,0,0]=2 128 B7R1.3 O=C1CCOCC1 HR9557 [1,0,0,0,0,0|1,0,0]=2 129 B7R1.3 O=C1CCSCC1 HR123861 [1,0,0,0,0,0|1,0,0]=2 130 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.3 O=C1CNCCN1 HR132423 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.3 O=C1COCCN1 HR115059 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.3 O=C1CSCCN1 HR147732 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.3 O=S1OCCCO1 HR134327 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.3 OC1C=CCCC1 HR108292 [1,0,0,0,0,0|1,0,1]=3 139 B7R1.3 OC1CCCCC1 HR122340 [1,0,0,0,0,0|0,0,2]=3 140 B7R1.3 OC1CCCNC1 HR11310 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.3 OC1CCCNC1 HR122384 [1,0,0,0,0,0|2,0,0]=3 142 B7R1.3 OC1CCCNC1 HR128253 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.3 OC1CCCNC1 HR138469 [1,0,0,0,0,0|2,0,0]=3 144 B7R1.3 OC1CCCOC1 HR105061 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.3 OC1CCNCC1 ACSA02513 [1,0,0,0,0,0|1,0,2]=4 146 B7R1.3 OC1CCNCC1 HR132750 [1,0,0,0,0,0|1,0,2]=4 147 B7R1.3 OC1CCOCC1 HR10170 [1,0,0,0,0,0|1,0,2]=4 148 B7R1.3 OC1CCSCC1 HR117672 [1,0,0,0,0,0|1,0,2]=4 149 B7R1.3 OC1COCOC1 HR132891 [1,0,0,0,0,0|3,0,0]=4 150 B7R1.3 ON1CCCCC1 HR106287 [1,0,0,0,0,0|1,0,1]=3 151 B7R1.3 PC1CCCCC1 HR119652 [1,0,0,0,0,0|1,0,1]=3 152 B7R1.3 SC1CCCCC1 HR119141 [1,0,0,0,0,0|0,1,1]=3 153 B7R1.3 SC1CCOCC1 HR143968 [1,0,0,0,0,0|1,1,1]=4 154 B9R1.2 CCC1CC(=O)CCO1 HR120478 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.2 CCC1CCCC(=O)N1 HR146355 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.2 CCN1CCCC(O)C1 HR124748 [0,1,0,0,0,0|1,0,2]=4 158 B9R1.2 CN1CCCC(CN)C1 HR119510 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.2 CN1CCCC(CO)C1 HR137012 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.2 CN1CCOC(CN)C1 HR112063 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.2 CN1CCOC(CO)C1 HR118674 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.2 O=C1CCCC(CO)C1 HR121488 [0,1,0,0,0,0|0,0,0]=1 163 B9R1.2 O=C1CCCC(CO)N1 HR145838 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.2 O=C1CCCC(CO)N1 HR145841 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.2 O=C1CCCC(CO)N1 HR145844 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.2 O=C1COCC(CO)N1 HR145834 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.3 CC1C(=O)CCCC1=O HR133563 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.3 O=C1CCCC(=O)C1Br HR108385 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.34 CC1CC(=O)CC(=O)C1 HR14279 [0,1,0,0,0,0|0,0,1]=2 170 B9R1.34 CC1CC(=O)CC(C)O1 HR111074 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.34 CC1CC(O)CC(C)N1 HR149817 [0,1,0,0,0,0|1,0,2]=4 172 B9R1.34 OC1CC(O)CC(O)C1 HR110456 [0,1,0,0,0,0|1,0,2]=4 173 B9R1.66 CC1(C)CC(=O)CCO1 HR102210 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.66 CC1(C)CC(N)CCO1 HR114970 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.66 CC1(C)CCCC(=O)C1 HR30153 [0,1,0,0,0,0|0,0,0]=1 176 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.66 NC1CCCC(F)(F)C1 HR120933 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.66 NN1CCCC(F)(F)C1 HR149280 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 CC1CN(C)C(C)CN1 HR111396 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 CC1CN(C)CCC1=O HR132188 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.69 CC1CNC(=O)CC1=O HR148296 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.69 NC1CCC(=O)NC1=O HR101417 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.69 NC1CCC(=O)NC1=O HR103258 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.69 NC1CCC(=O)NC1=O HR139508 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.2 C=CC(=O)NC(C)C HR138308 [0,0,1,0,0,0|1,0,2]=4 186 B7R0.2 CC(=O)OC(Br)CBr HR133286 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.2 CC(=O)OC(Cl)CCl HR133017 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.2 CC(C)CC(N)CO HR123929 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.2 CC(C)CC(N)CO HR30172 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.2 CC(C)NC(=O)CBr HR117083 [0,0,1,0,0,0|2,0,0]=3 191 B7R0.2 CC(C)OC(=O)CN HR105079 [0,0,1,0,0,0|2,0,0]=3 192 B7R0.2 CC(C)OC(=O)CN HR117760 [0,0,1,0,0,0|2,0,0]=3 193 B7R0.2 CC(C)OC(=O)CO HR105901 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.2 CC(CCl)CN(C)C HR118838 [0,0,1,0,0,0|3,0,0]=4 195 B7R0.2 CC(CCl)CN(C)C HR145450 [0,0,1,0,0,0|3,0,0]=4 196 B7R0.2 CCC(=O)CC(C)=O HR133940 [0,0,1,0,0,0|1,0,1]=3 197 B7R0.2 CCC(C)CC(=O)O HR11273 [0,0,1,0,0,0|1,0,0]=2 198 B7R0.2 CCC(C)CC(=O)O HR135865 [0,0,1,0,0,0|1,0,0]=2 199 B7R0.2 CCC(C)CC(C)N HR121358 [0,0,1,0,0,0|1,0,1]=3 200 B7R0.2 CCC(C)CC(C)N HR123488 [0,0,1,0,0,0|1,0,1]=3 201 B7R0.2 CCC(C)NC(N)=O HR114250 [0,0,1,0,0,0|2,0,0]=3 202 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [0,0,1,0,0,0|2,0,0]=3 203 B7R0.2 CCC(N)CC(=O)O HR114631 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.2 CCC(N)CC(=O)O HR143295 [0,0,1,0,0,0|2,0,0]=3 205 B7R0.2 CCC(N)CC(=O)O HR147022 [0,0,1,0,0,0|2,0,0]=3 206 B7R0.2 CNC(=O)CC(C)=O HR100837 [0,0,1,0,0,0|2,0,1]=4 207 B7R0.2 COC(=O)C=C(C)C HR125078 [0,0,1,0,0,0|1,0,2]=4 208 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,0,1,0,0,0|2,0,1]=4 209 B7R0.2 COC(=O)CC(C)N HR119861 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.2 COC(=O)CC(C)N HR143484 [0,0,1,0,0,0|2,0,0]=3 211 B7R0.2 COC(=O)CC(C)O HR138815 [0,0,1,0,0,0|2,0,0]=3 212 B7R0.2 CSC(=O)CC(C)C HR122226 [0,0,1,0,0,0|1,0,0]=2 213 B7R0.2 C\C(CC(C)C)=N/O HR128219 [0,0,1,0,0,0|3,0,0]=4 214 B7R0.2 NCC(O)CC(=O)O HR137304 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.4 C#CCCCC(=O)O HR119998 [0,0,1,0,0,0|1,0,2]=4 217 B7R0.4 C=CCCCC(=O)O HR110118 [0,0,1,0,0,0|1,0,2]=4 218 B7R0.4 CC(=O)CCCCBr HR125447 [0,0,1,0,0,0|1,0,0]=2 219 B7R0.4 CC(=O)CCCCCl HR124124 [0,0,1,0,0,0|1,0,0]=2 220 B7R0.4 CC(=O)OCCCCl HR130837 [0,0,1,0,0,0|2,0,0]=3 221 B7R0.4 CC(C)CCCC=O HR117171 [0,0,1,0,0,0|0,0,0]=1 222 B7R0.4 CC(C)CCCCBr HR119057 [0,0,1,0,0,0|1,0,1]=3 223 B7R0.4 CC(C)CCCCO HR145339 [0,0,1,0,0,0|0,0,2]=3 224 B7R0.4 CC(C)OCCCCl HR125103 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.4 CC(C)OCCCN HR136075 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.4 CC(O)CCCCO HR100920 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.4 CCCCCB(O)O HR142127 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CCCCCC(C)Br HR136114 [0,0,1,0,0,0|1,0,1]=3 229 B7R0.4 CCCCCC(C)O HR113580 [0,0,1,0,0,0|0,0,2]=3 230 B7R0.4 CCCCCC(C)O HR113894 [0,0,1,0,0,0|0,0,2]=3 231 B7R0.4 CCCCCC(C)O HR133526 [0,0,1,0,0,0|0,0,2]=3 232 B7R0.4 CCCCNC(N)=O HR125670 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.4 CCCCOC(N)=O HR123655 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.4 CCCCO[P+](=O)O HR109028 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.4 CCCOCC(C)O HR142954 [0,0,1,0,0,0|1,0,2]=4 236 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,1,0,0,0|0,0,2]=3 237 B7R0.4 CCOCC=C(C)C HR111947 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,1,0,0,0|1,0,2]=4 239 B7R0.4 CN(C)CCCCN HR106772 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 N#CCCCC(=O)O HR118843 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.4 NC(=O)COCCCl HR115417 [0,0,1,0,0,0|3,0,0]=4 242 B7R0.4 NCCCCC(=O)O HR127046 [0,0,1,0,0,0|2,0,0]=3 243 B7R0.4 NCCCCC(=O)O HR139651 [0,0,1,0,0,0|2,0,0]=3 244 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,0,1,0,0,0|2,0,0]=3 246 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.4 O=C(O)CCCCBr HR127598 [0,0,1,0,0,0|2,0,0]=3 248 B7R0.4 O=C(O)CCCCCl HR127871 [0,0,1,0,0,0|2,0,0]=3 249 B7R0.4 O=C(O)COCCCl HR100767 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.7 C=C(OCC)OCC IVSA07713 [0,0,1,0,0,0|3,0,0]=4 251 B7R0.7 CC#CC(=O)OCC HR127977 [0,0,1,0,0,0|1,0,2]=4 252 B7R0.7 CC(CCO)CCO HR143828 [0,0,1,0,0,0|1,0,2]=4 253 B7R0.7 CCCC(=O)OCCl HR123267 [0,0,1,0,0,0|2,0,0]=3 254 B7R0.7 CCCC(=S)OCC HR130469 [0,0,1,0,0,0|1,1,0]=3 255 B7R0.7 CCCC(=S)OCC HR143387 [0,0,1,0,0,0|1,1,0]=3 256 B7R0.7 CCCC(Br)CCC HR101804 [0,0,1,0,0,0|1,0,1]=3 257 B7R0.7 CCCC(C)CCO HR101631 [0,0,1,0,0,0|0,0,2]=3 258 B7R0.7 CCCC(N)CCC HR105135 [0,0,1,0,0,0|1,0,1]=3 259 B7R0.7 CCCC(S)CCO HR131891 [0,0,1,0,0,0|1,0,2]=4 260 B7R0.7 CCNC(=O)NCC HR128759 [0,0,1,0,0,0|2,0,0]=3 261 B7R0.7 CCNC(=S)NCC HR122808 [0,0,1,0,0,0|2,1,0]=4 262 B7R0.7 CCOC(=O)CCBr HR132284 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.7 CCOC(=O)CCCl HR147079 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.7 CCOC(=O)CCI HR101944 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.7 CCOC(=O)CCN HR129110 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.7 CCOC(=O)CCS HR135162 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.7 CCOC(=O)CNC HR138266 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.7 CCOC(=O)CNN HR128003 [0,0,1,0,0,0|3,0,0]=4 269 B7R0.7 CCOC(=O)COC HR123443 [0,0,1,0,0,0|2,0,0]=3 270 B7R0.7 CCOC(=O)OCCl HR138904 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.7 CCOS(=O)OCC HR101466 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.7 CCO[PH](=O)OCC HR109664 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.7 O=C(CCCl)CCCl HR2482 [0,0,1,0,0,0|2,0,0]=3 274 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [0,0,1,0,0,0|2,0,1]=4 275 B9R2.25 O=C1OC(=O)C2CC12 HR102599 [0,0,0,1,0,0|2,0,1]=4 276 B9R2.39 CN1CC2CC1CN2 HR117720 [0,0,0,1,0,0|3,0,0]=4 277 B9R2.39 CN1CC2CC1CN2 HR142393 [0,0,0,1,0,0|3,0,0]=4 278 B9R2.39 CN1CC2CC1CN2 HR145985 [0,0,0,1,0,0|3,0,0]=4 279 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,1,0,0|0,0,0]=1 280 B9R2.39 O=C1NC2C=CC1C2 HR110805 [0,0,0,1,0,0|1,0,2]=4 281 B9R2.39 O=C1NC2C=CC1C2 HR114658 [0,0,0,1,0,0|1,0,2]=4 282 B9R2.39 O=C1NC2C=CC1C2 HR124265 [0,0,0,1,0,0|1,0,2]=4 283 B9R2.68 C1CC2CNC(C1)C2 HR116444 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,0,0,0,1,0|0,0,2]=3 285 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,0,0,0,1,0|1,0,2]=4 286 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,0,1,0|1,0,2]=4 287 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,0,1,0|1,0,2]=4 288 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,0,0,0,1,0|2,0,1]=4 289 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,0,1,0|1,0,0]=2 290 B7R1.2 CC1CCC(N)C1 HR109161 [0,0,0,0,1,0|1,0,1]=3 291 B7R1.2 CC1CNC(=O)C1 HR146359 [0,0,0,0,1,0|1,0,0]=2 292 B7R1.2 CC1CNC(=O)C1 HR146360 [0,0,0,0,1,0|1,0,0]=2 293 B7R1.2 CC1CNC(=O)C1 HR146369 [0,0,0,0,1,0|1,0,0]=2 294 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,0,1,0|2,0,0]=3 295 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,0,1,0|2,0,0]=3 296 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,0,1,0|2,0,0]=3 297 B7R1.2 CN1CCC(=O)C1 HR102484 [0,0,0,0,1,0|1,0,0]=2 298 B7R1.2 CN1CCC(N)C1 HR114870 [0,0,0,0,1,0|2,0,1]=4 299 B7R1.2 CN1CCC(O)C1 HR127095 [0,0,0,0,1,0|1,0,2]=4 300 B7R1.2 CN1CCC(O)C1 HR138502 [0,0,0,0,1,0|1,0,2]=4 301 B7R1.2 CN1CCC(O)C1 HR138762 [0,0,0,0,1,0|1,0,2]=4 302 B7R1.2 NC1CCC(=O)C1 HR145995 [0,0,0,0,1,0|1,0,0]=2 303 B7R1.2 NC1CCC(N)C1 HR146090 [0,0,0,0,1,0|2,0,1]=4 304 B7R1.2 NC1CCC(N)C1 HR146091 [0,0,0,0,1,0|2,0,1]=4 305 B7R1.2 NC1CCC(N)C1 HR146092 [0,0,0,0,1,0|2,0,1]=4 306 B7R1.2 NC1CCC(O)C1 HR146093 [0,0,0,0,1,0|1,0,2]=4 307 B7R1.2 NC1CCC(O)C1 HR146099 [0,0,0,0,1,0|1,0,2]=4 308 B7R1.2 NC1CCC(O)C1 HR146100 [0,0,0,0,1,0|1,0,2]=4 309 B7R1.2 NC1CCC(O)C1 HR146101 [0,0,0,0,1,0|1,0,2]=4 310 B7R1.2 NC1CCC(O)C1 HR146102 [0,0,0,0,1,0|1,0,2]=4 311 B7R1.2 NC1CCC(O)C1 HR146103 [0,0,0,0,1,0|1,0,2]=4 312 B7R1.2 NC1CCC(O)C1 HR146104 [0,0,0,0,1,0|1,0,2]=4 313 B7R1.2 NC1CCC(O)C1 HR146105 [0,0,0,0,1,0|1,0,2]=4 314 B7R1.2 NC1CCC(O)C1 HR148648 [0,0,0,0,1,0|1,0,2]=4 315 B7R1.2 NC1CCC(O)C1 HR30204 [0,0,0,0,1,0|1,0,2]=4 316 B7R1.2 NC1COC(=O)C1 HR14757 [0,0,0,0,1,0|2,0,0]=3 317 B7R1.2 NC1COC(=O)C1 HR14758 [0,0,0,0,1,0|2,0,0]=3 318 B7R1.2 O=C1CC(O)CN1 HR138458 [0,0,0,0,1,0|2,0,0]=3 319 B7R1.2 O=C1CC(O)CN1 HR138722 [0,0,0,0,1,0|2,0,0]=3 320 B7R1.2 O=C1CC(O)CN1 HR145864 [0,0,0,0,1,0|2,0,0]=3 321 B7R1.2 O=C1CC(O)CO1 HR126625 [0,0,0,0,1,0|2,0,0]=3 322 B7R1.2 O=C1CC(O)CO1 HR127054 [0,0,0,0,1,0|2,0,0]=3 323 B7R1.2 O=C1CC(S)CN1 HR112550 [0,0,0,0,1,0|2,0,0]=3 324 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,0,0,0,1,0|1,0,1]=3 325 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,0,0,0,1,0|2,0,1]=4 326 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,0,0,0,1,0|2,0,1]=4 327 B7R1.2 O=C1COC(=O)C1 HR100364 [0,0,0,0,1,0|2,0,1]=4 328 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,0,1,0|3,0,0]=4 329 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,0,1,0|3,0,0]=4 330 B7R1.4 BrC1=C(Br)CCC1 HR137703 [0,0,0,0,1,0|2,0,1]=4 331 B7R1.4 C=C1CCOC1=O HR130328 [0,0,0,0,1,0|1,0,2]=4 332 B7R1.4 CC1=C(S)CCO1 HR124755 [0,0,0,0,1,0|1,1,1]=4 333 B7R1.4 CC1=CCCC1=O HR114448 [0,0,0,0,1,0|0,0,2]=3 334 B7R1.4 CC1CCCC1=O HR112329 [0,0,0,0,1,0|0,0,0]=1 335 B7R1.4 CC1CCNC1=O HR103871 [0,0,0,0,1,0|1,0,0]=2 336 B7R1.4 CC1OCCC1=O HR131028 [0,0,0,0,1,0|1,0,0]=2 337 B7R1.4 CC1OCCC1S HR131287 [0,0,0,0,1,0|1,1,1]=4 338 B7R1.4 CC1SCCC1=O HR124610 [0,0,0,0,1,0|1,0,0]=2 339 B7R1.4 CN1CCCC1=O HR130754 [0,0,0,0,1,0|1,0,0]=2 340 B7R1.4 CN1CCOC1=O HR132150 [0,0,0,0,1,0|2,0,0]=3 341 B7R1.4 CN1CCSC1=S HR116749 [0,0,0,0,1,0|2,1,0]=4 342 B7R1.4 NC1CCCC1N HR109799 [0,0,0,0,1,0|2,0,1]=4 343 B7R1.4 NC1CCCC1O HR123573 [0,0,0,0,1,0|1,0,2]=4 344 B7R1.4 NC1CCCC1O HR126055 [0,0,0,0,1,0|1,0,2]=4 345 B7R1.4 NC1CCCC1O HR126723 [0,0,0,0,1,0|1,0,2]=4 346 B7R1.4 NC1CCCC1O HR135381 [0,0,0,0,1,0|1,0,2]=4 347 B7R1.4 NC1CCCC1O HR142701 [0,0,0,0,1,0|1,0,2]=4 348 B7R1.4 NC1CCNC1=O HR148583 [0,0,0,0,1,0|2,0,0]=3 349 B7R1.4 NC1CCOC1=O HR103069 [0,0,0,0,1,0|2,0,0]=3 350 B7R1.4 NC1CCOC1=O HR134625 [0,0,0,0,1,0|2,0,0]=3 351 B7R1.4 NC1CCOC1=O HR137954 [0,0,0,0,1,0|2,0,0]=3 352 B7R1.4 NC1CCOC1=O HR146738 [0,0,0,0,1,0|2,0,0]=3 353 B7R1.4 NC1CCSC1=O HR137672 [0,0,0,0,1,0|2,0,0]=3 354 B7R1.4 NC1CONC1=O HR101265 [0,0,0,0,1,0|3,0,0]=4 355 B7R1.4 NC1CONC1=O HR127398 [0,0,0,0,1,0|3,0,0]=4 356 B7R1.4 NC1CONC1=O HR136196 [0,0,0,0,1,0|3,0,0]=4 357 B7R1.4 NN1CCCC1=O GASA04306 [0,0,0,0,1,0|2,0,0]=3 358 B7R1.4 NN1CCOC1=O HR146108 [0,0,0,0,1,0|3,0,0]=4 359 B7R1.4 O=C1CCC=C1O HR148600 [0,0,0,0,1,0|1,0,2]=4 360 B7R1.4 O=C1CCCC1Br HR121144 [0,0,0,0,1,0|1,0,0]=2 361 B7R1.4 O=C1CCCC1Cl HR112783 [0,0,0,0,1,0|1,0,0]=2 362 B7R1.4 O=C1NCCC1O HR102172 [0,0,0,0,1,0|2,0,0]=3 363 B7R1.4 O=C1NCCC1O HR113273 [0,0,0,0,1,0|2,0,0]=3 364 B7R1.4 O=C1NCCC1O HR113406 [0,0,0,0,1,0|2,0,0]=3 365 B7R1.4 O=C1NCCC1O HR147016 [0,0,0,0,1,0|2,0,0]=3 366 B7R1.4 O=C1OCCC1Br HR10714 [0,0,0,0,1,0|2,0,0]=3 367 B7R1.4 OC1CCCC1O HR141990 [0,0,0,0,1,0|1,0,2]=4 368 B7R1.4 OC1CCCC1O HR144744 [0,0,0,0,1,0|1,0,2]=4 369 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,0,0,0,0,1|1,0,1]=3 370 B9R1.49 CN1CCCC(=O)CC1 HR115762 [0,0,0,0,0,1|1,0,0]=2 371 B9R1.49 CN1CCCC(=O)CC1 HR2443 [0,0,0,0,0,1|1,0,0]=2 372 B9R1.49 CN1CCCC(O)CC1 HR132019 [0,0,0,0,0,1|1,0,2]=4 373 B9R1.49 CN1CCNC(=O)CC1 HR112731 [0,0,0,0,0,1|2,0,0]=3 374 B9R1.49 CN1CCNC(=O)CC1 HR146772 [0,0,0,0,0,1|2,0,0]=3 375 B6R0.1 C=CC(=O)CCC HR100488 [1,0,1,0,0,0|0,0,2]=4 376 B6R0.1 C=CC(O)CCC HR128085 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.1 CC(CO)CCO HR114955 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.1 CCC(=O)CC#N HR104780 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.1 CCC(=O)CSC HR123442 [1,0,1,0,0,0|1,0,0]=3 380 B6R0.1 CCC(C)CCO HR120273 [1,0,1,0,0,0|0,0,2]=4 381 B6R0.1 CCCC(=O)NN HR113429 [1,0,1,0,0,0|2,0,0]=4 382 B6R0.1 CCCC(=O)SC HR136352 [1,0,1,0,0,0|1,0,0]=3 383 B6R0.1 CCCC(=S)OC HR122832 [1,0,1,0,0,0|1,1,0]=4 384 B6R0.1 CCCC(Br)CBr HR132339 [1,0,1,0,0,0|2,0,0]=4 385 B6R0.1 CCCC(Br)CC HR118696 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.1 CCCC(N)CO HR112281 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.1 CCCC(O)CO HR126914 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.1 CCOC(=O)CBr AMJB00601 [1,0,1,0,0,0|2,0,0]=4 389 B6R0.1 CCOC(=O)CCl HR147617 [1,0,1,0,0,0|2,0,0]=4 390 B6R0.1 CCOC(=O)CN HR134743 [1,0,1,0,0,0|2,0,0]=4 391 B6R0.1 CCOC(=O)CO HR127384 [1,0,1,0,0,0|2,0,0]=4 392 B6R0.1 CCOC(=O)CS HR136673 [1,0,1,0,0,0|2,0,0]=4 393 B6R0.1 CCOC(=O)OC HR138173 [1,0,1,0,0,0|2,0,0]=4 394 B6R0.1 CCSC(=O)CC HR138214 [1,0,1,0,0,0|1,0,0]=3 395 B6R0.1 CNCC(=O)OC HR130436 [1,0,1,0,0,0|2,0,0]=4 396 B6R0.1 COC(=O)CCBr HR133552 [1,0,1,0,0,0|2,0,0]=4 397 B6R0.1 COC(=O)CCN HR135038 [1,0,1,0,0,0|2,0,0]=4 398 B6R0.1 COC(=O)CCS HR133169 [1,0,1,0,0,0|2,0,0]=4 399 B6R0.1 COCC(=O)OC HR147666 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.1 COCC(C)OC HR127461 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.1 CSC(C)CC=O HR133413 [1,0,1,0,0,0|1,0,0]=3 402 B6R0.1 C\C=C\C(=O)CC HR108073 [1,0,1,0,0,0|0,0,2]=4 403 B6R0.2 CC(=O)CC(C)=O AVJB01201 [1,0,1,0,0,0|1,0,1]=4 404 B6R0.2 CC(=O)CC(C)=O CUSA07105 [1,0,1,0,0,0|1,0,1]=4 405 B6R0.2 CC(=O)CC(C)=O HR108604 [1,0,1,0,0,0|1,0,1]=4 406 B6R0.2 CC(=O)NC(C)C ABSA04901 [1,0,1,0,0,0|1,0,0]=3 407 B6R0.2 CC(=O)OC(C)Br HR115050 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.2 CC(C)CC(=O)O HR123359 [1,0,1,0,0,0|1,0,0]=3 409 B6R0.2 CC(C)CC(C)N HR121969 [1,0,1,0,0,0|1,0,1]=4 410 B6R0.2 CC(C)CC(N)=O HR109732 [1,0,1,0,0,0|1,0,0]=3 411 B6R0.2 CC(N)CC(=O)O HR103780 [1,0,1,0,0,0|2,0,0]=4 412 B6R0.2 CC(N)CC(=O)O HR116211 [1,0,1,0,0,0|2,0,0]=4 413 B6R0.2 CC(N)CC(=O)O HR120488 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.2 CC(N)CC(=O)O HR124863 [1,0,1,0,0,0|2,0,0]=4 415 B6R0.2 CC(O)CC(=O)[O-] HR147106 [1,0,1,0,0,0|2,0,0]=4 416 B6R0.2 CN(C)CC(=O)O HR127289 [1,0,1,0,0,0|2,0,0]=4 417 B6R0.2 CN(C)CC(=O)[O-] HR134057 [1,0,1,0,0,0|2,0,0]=4 418 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [1,0,1,0,0,0|2,0,0]=4 419 B6R0.4 C=C(C)CNCC HR128262 [1,0,1,0,0,0|2,0,0]=4 420 B6R0.4 CC(=O)CCCBr HR147487 [1,0,1,0,0,0|1,0,0]=3 421 B6R0.4 CC(=O)CCCCl HR100024 [1,0,1,0,0,0|1,0,0]=3 422 B6R0.4 CC(=O)CCCO HR136959 [1,0,1,0,0,0|1,0,0]=3 423 B6R0.4 CC(=O)NCCN HR128075 [1,0,1,0,0,0|2,0,0]=4 424 B6R0.4 CC(=O)NCCO HR100613 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.4 CC(=O)OCCBr HR131354 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.4 CC(Br)CCCBr HR123815 [1,0,1,0,0,0|2,0,0]=4 427 B6R0.4 CC(C)CCC=O HR118427 [1,0,1,0,0,0|0,0,0]=2 428 B6R0.4 CC(C)CCCBr HR133659 [1,0,1,0,0,0|1,0,0]=3 429 B6R0.4 CC(C)NCCN HR8612 [1,0,1,0,0,0|2,0,0]=4 430 B6R0.4 CC(C)NCCO HR143524 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.4 CC(O)CCCO HR139458 [1,0,1,0,0,0|1,0,1]=4 432 B6R0.4 CCCCC(=O)Cl HR147689 [1,0,1,0,0,0|1,0,0]=3 433 B6R0.4 CCCCC(=O)[O-] HR143929 [1,0,1,0,0,0|1,0,0]=3 434 B6R0.4 CCCCC(C)N HR107080 [1,0,1,0,0,0|1,0,1]=4 435 B6R0.4 CCCCC(C)O HR113264 [1,0,1,0,0,0|0,0,2]=4 436 B6R0.4 CCCCC(C)O HR141634 [1,0,1,0,0,0|0,0,2]=4 437 B6R0.4 CCCCC(N)=O HR110039 [1,0,1,0,0,0|1,0,0]=3 438 B6R0.4 CCCCN(C)C HR124181 [1,0,1,0,0,0|1,0,1]=4 439 B6R0.4 CCCC[Sn](=O)O HR135371 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.4 CCCSC(C)=O HR137881 [1,0,1,0,0,0|1,0,0]=3 441 B6R0.4 CCNCC(=O)O HR105131 [1,0,1,0,0,0|2,0,0]=4 442 B6R0.4 CCOCC(=O)O HR123178 [1,0,1,0,0,0|2,0,0]=4 443 B6R0.4 CN(C)CCCBr HR107607 [1,0,1,0,0,0|2,0,0]=4 444 B6R0.4 CN(C)CCCBr HR147342 [1,0,1,0,0,0|2,0,0]=4 445 B6R0.4 CN(C)CCCCl HR109407 [1,0,1,0,0,0|2,0,0]=4 446 B6R0.4 CN(C)CCCCl HR137097 [1,0,1,0,0,0|2,0,0]=4 447 B6R0.4 CN(C)CCCS HR107362 [1,0,1,0,0,0|1,1,0]=4 448 B6R0.4 CNCCC(=O)O HR100194 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.4 CSCCC(C)=O HR133952 [1,0,1,0,0,0|1,0,0]=3 450 B6R0.4 NCCCC(=O)O HR130958 [1,0,1,0,0,0|2,0,0]=4 451 B6R0.4 O=C(Cl)CCCBr HR102428 [1,0,1,0,0,0|2,0,0]=4 452 B6R0.4 O=C(Cl)CCCCl HR129406 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.4 O=C(O)CCCBr HR131673 [1,0,1,0,0,0|2,0,0]=4 454 B6R0.4 O=C(O)CCCCl HR120152 [1,0,1,0,0,0|2,0,0]=4 455 B6R0.6 C#CCCCC=O VIJL03309 [1,0,1,0,0,0|0,0,2]=4 456 B6R0.6 C=CCCCCBr HR137464 [1,0,1,0,0,0|1,0,1]=4 457 B6R0.6 C=CCCCCCl HR113553 [1,0,1,0,0,0|1,0,1]=4 458 B6R0.6 C=CCCCCN HR143196 [1,0,1,0,0,0|1,0,1]=4 459 B6R0.6 C=CCCCCO HR120838 [1,0,1,0,0,0|1,0,1]=4 460 B6R0.6 C=CCSCCC HR130566 [1,0,1,0,0,0|1,0,1]=4 461 B6R0.6 C=COCCCC PAJB01004 [1,0,1,0,0,0|1,0,1]=4 462 B6R0.6 CCCCCCI HR101787 [1,0,1,0,0,0|1,0,1]=4 463 B6R0.6 CCCCCCO HR108609 [1,0,1,0,0,0|0,0,2]=4 464 B6R0.6 CCCCCCO HR127298 [1,0,1,0,0,0|0,0,2]=4 465 B6R0.6 CCCCCC[SiH3] HR107072 [1,0,1,0,0,0|0,1,1]=4 466 B6R0.6 CCCCCNC HR128731 [1,0,1,0,0,0|1,0,0]=3 467 B6R0.6 CCCCC[Mg]Br HR116206 [1,0,1,0,0,0|2,0,0]=4 468 B6R0.6 CCCCC[Mg]Cl HR115571 [1,0,1,0,0,0|2,0,0]=4 469 B6R0.6 CCCCNCC HR125662 [1,0,1,0,0,0|1,0,1]=4 470 B6R0.6 CCCCS[SnH]=O HR100704 [1,0,1,0,0,0|2,0,0]=4 471 B6R0.6 CCCC[Mg]CC HR115887 [1,0,1,0,0,0|1,0,1]=4 472 B6R0.6 CCCOCCCl HR126380 [1,0,1,0,0,0|2,0,0]=4 473 B6R0.6 CCCOCCO HR123698 [1,0,1,0,0,0|2,0,0]=4 474 B6R0.6 CCCSSCC HR130845 [1,0,1,0,0,0|2,0,0]=4 475 B6R0.6 CCC\C=C\C=O HR127670 [1,0,1,0,0,0|0,0,2]=4 476 B6R0.6 CCC\C=C\CO HR127397 [1,0,1,0,0,0|1,0,1]=4 477 B6R0.6 CC\C=C\CCO HR100849 [1,0,1,0,0,0|1,0,1]=4 478 B6R0.6 CC\C=C\CCO HR130305 [1,0,1,0,0,0|1,0,1]=4 479 B6R0.6 CNCCCNC HR133916 [1,0,1,0,0,0|2,0,0]=4 480 B6R0.6 COCCCCBr HR131929 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.6 COCCCCCl HR130420 [1,0,1,0,0,0|2,0,0]=4 482 B6R0.6 COCCCCN HR141637 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.6 COCCCCO HR129257 [1,0,1,0,0,0|2,0,0]=4 484 B6R0.6 COCCCOC HR127938 [1,0,1,0,0,0|2,0,0]=4 485 B6R0.6 C\C=C\CCCC HR145495 [1,0,1,0,0,0|0,0,1]=3 486 B6R0.6 C\C=C\CCCO HR110400 [1,0,1,0,0,0|1,0,1]=4 487 B6R0.6 C\C=C\CCCO HR111291 [1,0,1,0,0,0|1,0,1]=4 488 B6R0.6 O=CCCCC=O HR141217 [1,0,1,0,0,0|1,0,1]=4 489 B6R0.6 O=CCCCCCl HR119509 [1,0,1,0,0,0|1,0,0]=3 490 B6R0.6 O=CCCCCO HR116282 [1,0,1,0,0,0|1,0,0]=3 491 B6R0.6 O=CCOCCO HR117228 [1,0,1,0,0,0|2,0,0]=4 492 B6R0.6 [Li]CCCCCC HR142102 [1,0,1,0,0,0|1,0,1]=4 493 B6R1.1 C1=COCCC1 HR126451 [2,0,0,0,0,0|1,0,1]=4 494 B6R1.1 C1CCCCC1 HR106893 [2,0,0,0,0,0|0,0,1]=3 495 B6R1.1 C1CCCCC1 HR147601 [2,0,0,0,0,0|0,0,1]=3 496 B6R1.1 C1CCNCC1 ARJL02201 [2,0,0,0,0,0|1,0,0]=3 497 B6R1.1 C1CCNCC1 HR101018 [2,0,0,0,0,0|1,0,0]=3 498 B6R1.1 C1CCNCC1 HR131157 [2,0,0,0,0,0|1,0,0]=3 499 B6R1.1 C1CCNCC1 HR132491 [2,0,0,0,0,0|1,0,0]=3 500 B6R1.1 C1CCNCC1 HR149186 [2,0,0,0,0,0|1,0,0]=3 501 B6R1.1 C1CCNNC1 HR103533 [2,0,0,0,0,0|2,0,0]=4 502 B6R1.1 C1CCNNC1 HR104595 [2,0,0,0,0,0|2,0,0]=4 503 B6R1.1 C1CCSCC1 HR125674 [2,0,0,0,0,0|1,0,0]=3 504 B6R1.1 C1CC[NH2+]CC1 HR106637 [2,0,0,0,0,0|1,0,0]=3 505 B6R1.1 C1CNCCN1 HR111278 [2,0,0,0,0,0|2,0,0]=4 506 B6R1.1 C1CNCCN1 HR115728 [2,0,0,0,0,0|2,0,0]=4 507 B6R1.1 C1CNCCN1 HR123562 [2,0,0,0,0,0|2,0,0]=4 508 B6R1.1 C1CNCCN1 HR123681 [2,0,0,0,0,0|2,0,0]=4 509 B6R1.1 C1CNCCN1 HR135549 [2,0,0,0,0,0|2,0,0]=4 510 B6R1.1 C1CNCCN1 INSA03507 [2,0,0,0,0,0|2,0,0]=4 511 B6R1.1 C1COCCN1 FAXM00202 [2,0,0,0,0,0|2,0,0]=4 512 B6R1.1 C1COCCN1 HR113929 [2,0,0,0,0,0|2,0,0]=4 513 B6R1.1 C1COCCN1 HR122525 [2,0,0,0,0,0|2,0,0]=4 514 B6R1.1 C1COCCN1 HR15002 [2,0,0,0,0,0|2,0,0]=4 515 B6R1.1 C1CSCCN1 HR108045 [2,0,0,0,0,0|2,0,0]=4 516 B6R1.1 C1CSCCN1 HR15746 [2,0,0,0,0,0|2,0,0]=4 517 B6R1.1 C1CSCCS1 HR108155 [2,0,0,0,0,0|2,0,0]=4 518 B6R1.1 C1CSCSC1 HR147048 [2,0,0,0,0,0|2,0,0]=4 519 B8R0.2 CCC(C)C(=O)C(=O)O HR136223 [0,1,1,0,0,0|1,0,1]=4 520 B8R0.2 CCC(C)C(=O)C(=O)[O-] HR105983 [0,1,1,0,0,0|1,0,1]=4 521 B8R0.2 CCC(C)C(Cl)C(=O)O HR103573 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.2 CCC(C)C(N)C(=O)O HR122107 [0,1,1,0,0,0|1,0,0]=3 523 B8R0.2 CCC(C)C(N)C(=O)O HR126392 [0,1,1,0,0,0|1,0,0]=3 524 B8R0.2 CCC(C)C(N)C(=O)O HR126596 [0,1,1,0,0,0|1,0,0]=3 525 B8R0.2 CCC(C)C(N)C(=O)O HR129264 [0,1,1,0,0,0|1,0,0]=3 526 B8R0.2 CCC(C)C(N)C(=O)O HR134488 [0,1,1,0,0,0|1,0,0]=3 527 B8R0.2 CCC(C)C(N)C(N)=O HR114403 [0,1,1,0,0,0|1,0,0]=3 528 B8R0.2 COC(=O)C(=O)C(C)C HR104464 [0,1,1,0,0,0|1,0,1]=4 529 B8R0.2 COC(=O)C(Br)C(C)C HR135904 [0,1,1,0,0,0|1,0,0]=3 530 B8R0.2 COC(=O)C(N)C(C)C HR127472 [0,1,1,0,0,0|1,0,0]=3 531 B8R0.2 COC(=O)C(N)C(C)C HR129213 [0,1,1,0,0,0|1,0,0]=3 532 B8R0.2 COC(=O)C(N)C(C)C HR146735 [0,1,1,0,0,0|1,0,0]=3 533 B8R0.2 COC(=O)C(N)C(C)O HR116385 [0,1,1,0,0,0|2,0,0]=4 534 B8R0.2 COC(=O)C(N)C(C)O HR117464 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.2 COC(=O)C(N)C(C)O HR134650 [0,1,1,0,0,0|2,0,0]=4 536 B8R0.2 COC(=O)C(N)C(C)O HR146545 [0,1,1,0,0,0|2,0,0]=4 537 B8R0.2 COC(=O)C(O)C(C)C HR115315 [0,1,1,0,0,0|1,0,0]=3 538 B8R0.2 COC(=O)C(O)C(C)C HR115628 [0,1,1,0,0,0|1,0,0]=3 539 B8R0.2 COC(C)C(N)C(=O)O HR109877 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.2 COC(C)C(N)C(=O)O HR143103 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.5 CC(C)OC(=O)CC#N HR136578 [0,1,1,0,0,0|1,0,1]=4 542 B8R0.5 CC(C)OC(=O)CCS HR117191 [0,1,1,0,0,0|1,0,0]=3 543 B8R0.5 CC(C)OC(=O)OCCl HR138445 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.5 CCNC(=S)OC(C)C HR109488 [0,1,1,0,0,0|1,1,0]=4 545 B8R0.5 CCOC(=O)C=C(C)C HR123584 [0,1,1,0,0,0|0,0,2]=4 546 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,1,1,0,0,0|1,0,1]=4 547 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,1,1,0,0,0|1,0,1]=4 548 B8R0.5 CCOC(=O)CC(C)O HR103958 [0,1,1,0,0,0|1,0,0]=3 549 B8R0.5 CCOC(=O)CC(C)O HR115663 [0,1,1,0,0,0|1,0,0]=3 550 B8R0.5 CCOC(=O)CC(C)O HR126277 [0,1,1,0,0,0|1,0,0]=3 551 B8R0.5 CCOC(=O)CC(C)S HR114517 [0,1,1,0,0,0|1,0,0]=3 552 B8R0.5 CCOC(=O)CN(C)C HR135000 [0,1,1,0,0,0|1,0,0]=3 553 B8R0.5 CCOC(=O)OC(C)Cl HR127687 [0,1,1,0,0,0|2,0,0]=4 554 B8R0.5 CCOC(=O)OC(C)I HR138111 [0,1,1,0,0,0|2,0,0]=4 555 B8R0.5 CCOC(C)OC(C)=O HR121743 [0,1,1,0,0,0|1,0,0]=3 556 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.5 COCC(C)OC(C)=O HR138591 [0,1,1,0,0,0|1,0,0]=3 558 B8R0.16 COC(CC(C)=O)OC HR122907 [0,1,1,0,0,0|1,0,0]=3 559 B8R0.19 CCC(=O)CC(=O)CC HR138277 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.19 CCC(=O)CC(=O)OC HR126248 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.19 CCC(C)CC(O)CC HR124313 [0,1,1,0,0,0|0,0,2]=4 562 B8R0.19 CCC(O)CC(=O)OC HR111480 [0,1,1,0,0,0|1,0,0]=3 563 B8R0.19 COC(=O)CC(O)CCl HR103451 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.19 COC(=O)CC(O)CCl HR106667 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.19 COC(=O)CC(O)CCl HR123616 [0,1,1,0,0,0|2,0,0]=4 566 B8R0.19 COC(=O)NC(C)CN ENSA06712 [0,1,1,0,0,0|2,0,0]=4 567 B8R0.23 C=C(C)C(=O)NC(C)C HR105518 [0,1,1,0,0,0|1,0,1]=4 568 B8R0.23 C=C(CC(C)C)C(C)=O HR119288 [0,1,1,0,0,0|1,0,1]=4 569 B8R0.23 CC(=O)OC(C)C(C)=O HR135424 [0,1,1,0,0,0|1,0,1]=4 570 B8R0.23 CC(C)C(N)CC(=O)O HR115576 [0,1,1,0,0,0|2,0,0]=4 571 B8R0.23 CC(C)C(N)CC(=O)O HR119755 [0,1,1,0,0,0|2,0,0]=4 572 B8R0.23 CC(C)CC(=O)C(=O)O HR122104 [0,1,1,0,0,0|1,0,1]=4 573 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR105375 [0,1,1,0,0,0|1,0,1]=4 574 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138461 [0,1,1,0,0,0|1,0,1]=4 575 B8R0.23 CC(C)CC(=O)C(=O)[O-] HR138724 [0,1,1,0,0,0|1,0,1]=4 576 B8R0.23 CC(C)OC(=O)C(C)N HR116348 [0,1,1,0,0,0|1,0,0]=3 577 B8R0.23 CC(C)OC(=O)C(C)N HR142603 [0,1,1,0,0,0|1,0,0]=3 578 B8R0.23 CC(C)OC(=O)C(C)N HR146754 [0,1,1,0,0,0|1,0,0]=3 579 B8R0.23 CC(C)OC(=O)C(C)O HR143818 [0,1,1,0,0,0|1,0,0]=3 580 B8R0.23 CC(O)C(N)CC(=O)O HR146732 [0,1,1,0,0,0|2,0,0]=4 581 B8R0.24 CC(C)(C)OC(=O)CBr REJL01706 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.24 CC(C)(C)OC(=O)CN HR122571 [0,1,1,0,0,0|2,0,0]=4 583 B8R0.24 CC(C)(C)OC(=O)CO HR113961 [0,1,1,0,0,0|2,0,0]=4 584 B8R0.24 CCC(C)CS(=O)(=O)[O-] HR116952 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.34 CSC(C)(C)CC(C)=O HR124751 [0,1,1,0,0,0|1,0,0]=3 586 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,1,0,0,0|0,0,1]=3 587 B8R0.6 CCC(C)CCCCO HR119961 [0,1,1,0,0,0|0,0,2]=4 588 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,1,0,0,0|0,0,0]=2 589 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,1,0,0,0|0,0,0]=2 590 B8R0.6 CCCCCC(O)CC HR112896 [0,1,1,0,0,0|0,0,2]=4 591 B8R0.6 CCCCCC(O)CC HR113840 [0,1,1,0,0,0|0,0,2]=4 592 B8R0.6 CCCCNC(=O)CCl HR147680 [0,1,1,0,0,0|1,0,0]=3 593 B8R0.6 CCCCOC(=O)CO HR135884 [0,1,1,0,0,0|1,0,0]=3 594 B8R0.6 CCCCOC(=O)CS HR123589 [0,1,1,0,0,0|1,0,0]=3 595 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,1,0,0,0|0,0,2]=4 596 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,1,0,0,0|0,0,2]=4 597 B8R0.6 COC(=O)CCCCBr HR132792 [0,1,1,0,0,0|1,0,0]=3 598 B8R0.6 COC(=O)CCCCCl HR117426 [0,1,1,0,0,0|1,0,0]=3 599 B8R0.6 COC(=O)COCCCl HR118852 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.6 COCCCC(=O)OC HR115734 [0,1,1,0,0,0|1,0,0]=3 601 B8R0.7 C#CCCCCC(=O)O HR102532 [0,1,1,0,0,0|1,0,1]=4 602 B8R0.7 C=CCCCOC(C)=O HR143247 [0,1,1,0,0,0|0,0,2]=4 603 B8R0.7 CC(=O)NCCCCN HR118654 [0,1,1,0,0,0|1,0,0]=3 604 B8R0.7 CC(=O)OCCCCBr HR131090 [0,1,1,0,0,0|1,0,0]=3 605 B8R0.7 CC(=O)OCCCCCl HR122635 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.7 CC(C)CCCCCO HR101450 [0,1,1,0,0,0|0,0,2]=4 607 B8R0.7 CC(C)CCCCCO HR144906 [0,1,1,0,0,0|0,0,2]=4 608 B8R0.7 CC(C)NCCCCO HR143381 [0,1,1,0,0,0|0,0,2]=4 609 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,1,1,0,0,0|1,0,0]=3 610 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,1,1,0,0,0|1,0,0]=3 611 B8R0.7 CCCCCCC(C)=O HR138624 [0,1,1,0,0,0|0,0,0]=2 612 B8R0.7 CCCCCCC(C)Br HR126862 [0,1,1,0,0,0|1,0,1]=4 613 B8R0.7 CCCCCCC(C)N HR132596 [0,1,1,0,0,0|1,0,1]=4 614 B8R0.7 CCCCCCC(C)N HR139394 [0,1,1,0,0,0|1,0,1]=4 615 B8R0.7 CCCCCCC(C)O HR125954 [0,1,1,0,0,0|0,0,2]=4 616 B8R0.7 CCCCCCC(C)O HR128561 [0,1,1,0,0,0|0,0,2]=4 617 B8R0.7 CCCCCCC(C)O HR132915 [0,1,1,0,0,0|0,0,2]=4 618 B8R0.7 CCCCCCC(C)O HR133230 [0,1,1,0,0,0|0,0,2]=4 619 B8R0.7 CCCCCCC(C)S HR114461 [0,1,1,0,0,0|0,1,1]=4 620 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,1,1,0,0,0|1,0,0]=3 621 B8R0.7 CCCCOCC(=O)O HR124559 [0,1,1,0,0,0|1,0,0]=3 622 B8R0.7 CCCCOCC(C)O HR132803 [0,1,1,0,0,0|0,0,2]=4 623 B8R0.7 CCOCCOC(=O)Cl HR139845 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.7 COCCOCC(=O)O HR131950 [0,1,1,0,0,0|2,0,0]=4 625 B8R0.7 CSCCCOC(C)=O HR130302 [0,1,1,0,0,0|1,0,0]=3 626 B8R0.7 NCCCCCC(=O)O HR123389 [0,1,1,0,0,0|1,0,0]=3 627 B8R0.7 NCCCCCC(=O)O HR140316 [0,1,1,0,0,0|1,0,0]=3 628 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,1,1,0,0,0|1,0,0]=3 629 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.7 O=C(O)CCCCCBr HR131936 [0,1,1,0,0,0|1,0,0]=3 631 B8R0.7 O=C(O)CCCCCCl HR131336 [0,1,1,0,0,0|1,0,0]=3 632 B8R0.8 CCCCC(=O)C(C)=O HR133012 [0,1,1,0,0,0|0,0,1]=3 633 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,1,1,0,0,0|1,0,0]=3 634 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,1,1,0,0,0|1,0,0]=3 635 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,1,1,0,0,0|1,0,0]=3 636 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,1,1,0,0,0|1,0,0]=3 637 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,1,1,0,0,0|1,0,0]=3 638 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.8 CSCCC(N)C(N)=O HR114117 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,1,1,0,0,0|2,0,0]=4 645 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,1,1,0,0,0|2,0,0]=4 646 B8R0.8 CSCCC(O)C(=O)[O-] HR118219 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,1,1,0,0,0|2,0,0]=4 648 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,1,1,0,0,0|2,0,0]=4 649 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,1,1,0,0,0|2,0,0]=4 650 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,1,1,0,0,0|2,0,0]=4 651 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,1,1,0,0,0|2,0,0]=4 652 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,1,1,0,0,0|2,0,0]=4 654 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,1,1,0,0,0|2,0,0]=4 655 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,1,1,0,0,0|2,0,0]=4 656 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,1,1,0,0,0|2,0,0]=4 657 B8R0.9 CC(=O)OCC(O)CO HR119576 [0,1,1,0,0,0|2,0,0]=4 658 B8R0.9 CCC(=O)CCC(C)=O HR121178 [0,1,1,0,0,0|0,0,1]=3 659 B8R0.9 CCC(C)CCC(C)N HR118585 [0,1,1,0,0,0|1,0,1]=4 660 B8R0.9 CCC(C)COC(=O)Cl HR143745 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.9 CCC(C)COC(C)=O HR104042 [0,1,1,0,0,0|1,0,0]=3 662 B8R0.9 CCC(C)COC(C)=O HR112686 [0,1,1,0,0,0|1,0,0]=3 663 B8R0.9 COC(C)COC(C)=O HR143173 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.21 CCCCCS(=O)(=O)Cl HR110757 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.21 CCCCCS(=O)(=O)[O-] HR127418 [0,1,1,0,0,0|2,0,0]=4 666 B8R0.21 CCCCCS(=O)(=O)[O-] HR134915 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.21 CCCCOS(C)(=O)=O HR131554 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,1,1,0,0,0|0,0,2]=4 669 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,1,1,0,0,0|0,0,0]=2 670 B8R0.28 CC(C)CCCC(C)N HR128847 [0,1,1,0,0,0|1,0,1]=4 671 B8R0.28 CC(C)CCOC(=O)Cl HR143844 [0,1,1,0,0,0|1,0,0]=3 672 B8R0.28 CC(O)CCCC(C)O HR143862 [0,1,1,0,0,0|0,0,2]=4 673 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,1,1,0,0,0|1,0,0]=3 674 B8R0.1 CCCC(=O)OCSC HR128277 [0,1,1,0,0,0|1,0,0]=3 675 B8R0.1 CCCCC(Br)CCC HR120549 [0,1,1,0,0,0|1,0,1]=4 676 B8R0.1 CCCOC(=O)CCS HR117505 [0,1,1,0,0,0|1,0,0]=3 677 B8R0.1 CCOC(=O)CCCBr HR133499 [0,1,1,0,0,0|1,0,0]=3 678 B8R0.1 CCOC(=O)CCCN HR142861 [0,1,1,0,0,0|1,0,0]=3 679 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [0,1,1,0,0,0|1,0,0]=3 680 B8R0.1 CCOC(=O)NCCCl HR139857 [0,1,1,0,0,0|2,0,0]=4 681 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,1,1,0,0,0|0,0,2]=4 682 B8R0.1 C\C=C\CC(=O)OCC HR142218 [0,1,1,0,0,0|1,0,1]=4 683 B8R0.3 CCOC(=O)C(=O)CC HR105760 [0,1,1,0,0,0|1,0,1]=4 684 B8R0.3 CCOC(=O)C(Br)CBr HR129498 [0,1,1,0,0,0|2,0,0]=4 685 B8R0.3 CCOC(=O)C(Br)CC HR135114 [0,1,1,0,0,0|1,0,0]=3 686 B8R0.3 CCOC(=O)C(C)CC HR129683 [0,1,1,0,0,0|1,0,0]=3 687 B8R0.3 CCOC(=O)C(C)CC HR138244 [0,1,1,0,0,0|1,0,0]=3 688 B8R0.3 CCOC(=O)C(C)CN HR117532 [0,1,1,0,0,0|2,0,0]=4 689 B8R0.3 CCOC(=O)C(Cl)CCl HR119653 [0,1,1,0,0,0|2,0,0]=4 690 B8R0.3 CCOC(=O)C(N)CC HR103721 [0,1,1,0,0,0|1,0,0]=3 691 B8R0.3 CCOC(=O)C(N)CO HR127361 [0,1,1,0,0,0|2,0,0]=4 692 B8R0.3 CCOC(=O)C(N)CO HR142606 [0,1,1,0,0,0|2,0,0]=4 693 B8R0.3 CCOC(=O)C(N)CS HR136050 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.3 CCOC(=O)C(S)CC HR118467 [0,1,1,0,0,0|1,0,0]=3 695 B8R0.3 C\C=C\C(=O)C(C)CC HR137024 [0,1,1,0,0,0|0,0,2]=4 696 B8R0.3 O=CCC(O)C(O)CO HR131624 [0,1,1,0,0,0|2,0,0]=4 697 B8R0.3 O=CCC(O)C(O)CO HR134366 [0,1,1,0,0,0|2,0,0]=4 698 B8R0.22 CCCC(CC=O)SC HR125808 [0,1,1,0,0,0|0,0,0]=2 699 B8R0.22 CCCC(CCO)SC HR134221 [0,1,1,0,0,0|0,0,2]=4 700 B8R0.30 CCCC(C)(O)CCC HR118655 [0,1,1,0,0,0|0,0,2]=4 701 B8R1.2 BrCC1CCCCC1 EMSA06908 [1,1,0,0,0,0|0,0,1]=3 702 B8R1.2 BrCC1CCCOC1 HR115291 [1,1,0,0,0,0|1,0,0]=3 703 B8R1.2 BrCC1CCNCC1 HR149183 [1,1,0,0,0,0|1,0,1]=4 704 B8R1.2 BrCC1CCOCC1 HR129098 [1,1,0,0,0,0|1,0,1]=4 705 B8R1.2 BrCC1CNCCN1 HR113983 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.2 Br[Mg]C1CCCCC1 HR107341 [1,1,0,0,0,0|1,0,1]=4 707 B8R1.2 C#CC1CCCCC1 HR120227 [1,1,0,0,0,0|0,0,2]=4 708 B8R1.2 C#CC1CCCNC1 HR116876 [1,1,0,0,0,0|1,0,1]=4 709 B8R1.2 C=CC1CCCCC1 HR131133 [1,1,0,0,0,0|0,0,2]=4 710 B8R1.2 CCC1CC=CCC1 HR100312 [1,1,0,0,0,0|0,0,1]=3 711 B8R1.2 CCC1CCCCN1 HR101681 [1,1,0,0,0,0|1,0,1]=4 712 B8R1.2 CCC1CCCCN1 HR145962 [1,1,0,0,0,0|1,0,1]=4 713 B8R1.2 CCC1CCCCN1 HR145963 [1,1,0,0,0,0|1,0,1]=4 714 B8R1.2 CCC1CCNCC1 HR101692 [1,1,0,0,0,0|1,0,1]=4 715 B8R1.2 CCC1CNCCN1 HR129402 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.2 CCC1CNCCO1 HR145969 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.2 CCC1CNCCO1 HR145970 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.2 CCC1COCCN1 HR106331 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.2 CCC1COCCN1 HR116773 [1,1,0,0,0,0|2,0,0]=4 720 B8R1.2 CCC1COCCN1 HR145882 [1,1,0,0,0,0|2,0,0]=4 721 B8R1.2 CCC1COCCN1 HR17024 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.2 CCC1COCCN1 HR17027 [1,1,0,0,0,0|2,0,0]=4 723 B8R1.2 CNC1CCCCC1 HR127852 [1,1,0,0,0,0|0,0,1]=3 724 B8R1.2 CNC1CCCNC1 HR134269 [1,1,0,0,0,0|1,0,0]=3 725 B8R1.2 CNC1CCOCC1 HR30275 [1,1,0,0,0,0|1,0,1]=4 726 B8R1.2 COC1=CCCCC1 HR108356 [1,1,0,0,0,0|0,0,2]=4 727 B8R1.2 COC1=NCCCC1 HR140176 [1,1,0,0,0,0|1,0,1]=4 728 B8R1.2 COC1CCC=CO1 HR133471 [1,1,0,0,0,0|1,0,1]=4 729 B8R1.2 COC1CCNCC1 HR124062 [1,1,0,0,0,0|1,0,1]=4 730 B8R1.2 FCC1CCCNC1 HR151273 [1,1,0,0,0,0|1,0,0]=3 731 B8R1.2 FCC1CCNCC1 HR151179 [1,1,0,0,0,0|1,0,1]=4 732 B8R1.2 ICC1CCOCC1 HR116556 [1,1,0,0,0,0|1,0,1]=4 733 B8R1.2 N#CC1CCCCC1 DAJL01408 [1,1,0,0,0,0|0,0,2]=4 734 B8R1.2 N#CC1CCCNC1 HR112815 [1,1,0,0,0,0|1,0,1]=4 735 B8R1.2 NCC1CCCCC1 HR20540 [1,1,0,0,0,0|0,0,1]=3 736 B8R1.2 NCC1CCCCN1 HR129658 [1,1,0,0,0,0|1,0,1]=4 737 B8R1.2 NCC1CCCCO1 HR109315 [1,1,0,0,0,0|1,0,1]=4 738 B8R1.2 NCC1CCCNC1 HR125716 [1,1,0,0,0,0|1,0,0]=3 739 B8R1.2 NCC1CCCOC1 HR114654 [1,1,0,0,0,0|1,0,0]=3 740 B8R1.2 NCC1CCCOC1 HR145987 [1,1,0,0,0,0|1,0,0]=3 741 B8R1.2 NCC1CCNCC1 IBCQ00407 [1,1,0,0,0,0|1,0,1]=4 742 B8R1.2 NCC1CCOCC1 HR133329 [1,1,0,0,0,0|1,0,1]=4 743 B8R1.2 NCC1CNCCO1 HR108054 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.2 NCC1COCCO1 HR115543 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.2 NNC1CCCCC1 HR32400 [1,1,0,0,0,0|1,0,1]=4 746 B8R1.2 NNC1CCCCC1 HR32401 [1,1,0,0,0,0|1,0,1]=4 747 B8R1.2 O=CC1=CCCCC1 HR124654 [1,1,0,0,0,0|0,0,1]=3 748 B8R1.2 O=CC1=CCCOC1 HR106218 [1,1,0,0,0,0|1,0,1]=4 749 B8R1.2 O=CC1CCCCC1 HR3082 [1,1,0,0,0,0|0,0,1]=3 750 B8R1.2 O=CC1CCCOC1 HR31996 [1,1,0,0,0,0|1,0,1]=4 751 B8R1.2 O=CC1CCNCC1 HR114883 [1,1,0,0,0,0|1,0,1]=4 752 B8R1.2 O=CC1CCOCC1 IBCQ00409 [1,1,0,0,0,0|1,0,1]=4 753 B8R1.2 O=CN1CCCCC1 HR135142 [1,1,0,0,0,0|1,0,0]=3 754 B8R1.2 O=CN1CCNCC1 HR106743 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.2 O=CN1CCOCC1 HR124705 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.2 OCC1CC=CCC1 HR135429 [1,1,0,0,0,0|0,0,1]=3 757 B8R1.2 OCC1CCC=CO1 HR9703 [1,1,0,0,0,0|1,0,1]=4 758 B8R1.2 OCC1CCCCC1 HR3098 [1,1,0,0,0,0|0,0,1]=3 759 B8R1.2 OCC1CCCCN1 HR129497 [1,1,0,0,0,0|1,0,1]=4 760 B8R1.2 OCC1CCCCN1 HR150905 [1,1,0,0,0,0|1,0,1]=4 761 B8R1.2 OCC1CCCCN1 HR150906 [1,1,0,0,0,0|1,0,1]=4 762 B8R1.2 OCC1CCCCO1 HR9734 [1,1,0,0,0,0|1,0,1]=4 763 B8R1.2 OCC1CCCNC1 HR118055 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.2 OCC1CCCNC1 HR118365 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.2 OCC1CCCNC1 HR125284 [1,1,0,0,0,0|1,0,0]=3 766 B8R1.2 OCC1CCCOC1 HR112012 [1,1,0,0,0,0|1,0,0]=3 767 B8R1.2 OCC1CCNCC1 HR130018 [1,1,0,0,0,0|1,0,1]=4 768 B8R1.2 OCC1CCOCC1 HR131711 [1,1,0,0,0,0|1,0,1]=4 769 B8R1.2 OCC1CNCCN1 HR107434 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.2 OCC1CNCCN1 HR113041 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.2 OCC1CNCCN1 HR145898 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.2 OCC1CNCCN1 HR145901 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.2 OCC1CNCCO1 HR105077 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.2 OCC1CNCCO1 HR115921 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.2 OCC1CNCCO1 HR145981 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.2 OCC1CNCCO1 HR148574 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.2 OCC1COCCN1 HR121096 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.2 OCC1COCCN1 HR121419 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.2 OCC1COCCN1 HR145988 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.2 OCC1COCCO1 HR104909 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.2 ON=C1CCCCC1 HR136101 [1,1,0,0,0,0|0,0,1]=3 782 B8R1.3 C=C1CCN(C)CC1 HR107962 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.3 CC1=CCC(=O)CC1 HR105835 [1,1,0,0,0,0|0,0,2]=4 784 B8R1.3 CC1CCC(=O)CC1 HR123899 [1,1,0,0,0,0|0,0,0]=2 785 B8R1.3 CC1CCC(C)NC1 HR149823 [1,1,0,0,0,0|1,0,0]=3 786 B8R1.3 CC1CCC(N)CC1 HR127535 [1,1,0,0,0,0|0,0,1]=3 787 B8R1.3 CC1CCC(N)CC1 HR129524 [1,1,0,0,0,0|0,0,1]=3 788 B8R1.3 CC1CCC(O)CC1 HR102432 [1,1,0,0,0,0|0,0,1]=3 789 B8R1.3 CC1CCC(O)CC1 HR142762 [1,1,0,0,0,0|0,0,1]=3 790 B8R1.3 CC1CNC(=O)CO1 HR148882 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.3 CC1CNC(C)CN1 HR112989 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.3 CC1CNC(C)CN1 HR113905 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.3 CC1CNC(C)CN1 HR123674 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.3 CC1COC(C)CN1 HR146120 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.3 CC1COC(C)CN1 HR146121 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.3 CN1CCC(=O)CC1 HR128468 [1,1,0,0,0,0|1,0,0]=3 797 B8R1.3 CN1CCC(Br)CC1 HR146350 [1,1,0,0,0,0|1,0,1]=4 798 B8R1.3 CN1CCC(Cl)CC1 HR126246 [1,1,0,0,0,0|1,0,1]=4 799 B8R1.3 CN1CCC(Cl)CC1 HR129631 [1,1,0,0,0,0|1,0,1]=4 800 B8R1.3 CN1CCC(N)CC1 HR129041 [1,1,0,0,0,0|1,0,1]=4 801 B8R1.3 CN1CCC(O)CC1 HR123786 [1,1,0,0,0,0|1,0,1]=4 802 B8R1.3 CN1CCC(O)CC1 HR129386 [1,1,0,0,0,0|1,0,1]=4 803 B8R1.3 NC1CCC(=O)CC1 HR108450 [1,1,0,0,0,0|0,0,0]=2 804 B8R1.3 NC1CCC(=O)NC1 HR114241 [1,1,0,0,0,0|1,0,0]=3 805 B8R1.3 NC1CCC(N)CC1 HR128257 [1,1,0,0,0,0|1,0,1]=4 806 B8R1.3 NC1CCC(N)CC1 HR139185 [1,1,0,0,0,0|1,0,1]=4 807 B8R1.3 NC1CCC(N)CC1 HR139276 [1,1,0,0,0,0|1,0,1]=4 808 B8R1.3 NC1CCC(O)CC1 HR106375 [1,1,0,0,0,0|0,0,2]=4 809 B8R1.3 NC1CCC(O)CC1 HR108164 [1,1,0,0,0,0|0,0,2]=4 810 B8R1.3 NC1CCC(O)CC1 HR111079 [1,1,0,0,0,0|0,0,2]=4 811 B8R1.3 NC1CCC(O)CC1 HR146550 [1,1,0,0,0,0|0,0,2]=4 812 B8R1.3 NC1CCC(O)CC1 VOJL00905 [1,1,0,0,0,0|0,0,2]=4 813 B8R1.3 NN1CCC(O)CC1 HR113294 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.3 O=C1CCC(=O)CC1 HR123033 [1,1,0,0,0,0|0,0,1]=3 815 B8R1.3 O=C1CCC(=O)NC1 HR110594 [1,1,0,0,0,0|1,0,1]=4 816 B8R1.3 O=C1CCC(O)CC1 HR132671 [1,1,0,0,0,0|0,0,0]=2 817 B8R1.3 O=C1CCC(O)CN1 HR104378 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.3 OC1CCC(Cl)CC1 HR140569 [1,1,0,0,0,0|0,0,2]=4 819 B8R1.3 OC1CCC(O)CC1 HR124198 [1,1,0,0,0,0|0,0,2]=4 820 B8R1.3 OC1CCC(O)CC1 HR143769 [1,1,0,0,0,0|0,0,2]=4 821 B8R1.5 C=C1CCCCC1=C HR100430 [1,1,0,0,0,0|1,0,1]=4 822 B8R1.5 CC1CCCCC1=O HR128184 [1,1,0,0,0,0|0,0,0]=2 823 B8R1.5 CC1CCCCC1N HR132700 [1,1,0,0,0,0|0,0,1]=3 824 B8R1.5 CC1CCCCC1O HR10840 [1,1,0,0,0,0|0,0,1]=3 825 B8R1.5 CC1CCCNC1C HR121961 [1,1,0,0,0,0|1,0,0]=3 826 B8R1.5 CC1CNCCC1=O HR102395 [1,1,0,0,0,0|1,0,0]=3 827 B8R1.5 CC1CNCCC1=O HR144741 [1,1,0,0,0,0|1,0,0]=3 828 B8R1.5 CC1COCCC1=O HR108661 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.5 CC1NCCNC1=O HR149053 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.5 CC1OCCNC1=O HR148881 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.5 CN1CCNCC1=O HR121878 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.5 NC1CCCCC1N HR125835 [1,1,0,0,0,0|1,0,1]=4 833 B8R1.5 NC1CCCCC1N HR126059 [1,1,0,0,0,0|1,0,1]=4 834 B8R1.5 NC1CCCCC1N HR126095 [1,1,0,0,0,0|1,0,1]=4 835 B8R1.5 NC1CCCCC1N HR126327 [1,1,0,0,0,0|1,0,1]=4 836 B8R1.5 NC1CCCCC1N HR138678 [1,1,0,0,0,0|1,0,1]=4 837 B8R1.5 NC1CCCCC1O HR105750 [1,1,0,0,0,0|0,0,2]=4 838 B8R1.5 NC1CCCCC1O HR106708 [1,1,0,0,0,0|0,0,2]=4 839 B8R1.5 NC1CCCCC1O HR106746 [1,1,0,0,0,0|0,0,2]=4 840 B8R1.5 NC1CCCCC1O HR108115 [1,1,0,0,0,0|0,0,2]=4 841 B8R1.5 NC1CCCCC1O HR14514 [1,1,0,0,0,0|0,0,2]=4 842 B8R1.5 NC1CCCCC1O HR146109 [1,1,0,0,0,0|0,0,2]=4 843 B8R1.5 NC1CCCCC1O HR146110 [1,1,0,0,0,0|0,0,2]=4 844 B8R1.5 NC1CCCCC1O HR146111 [1,1,0,0,0,0|0,0,2]=4 845 B8R1.5 NC1CCCCC1O HR146112 [1,1,0,0,0,0|0,0,2]=4 846 B8R1.5 NC1CCCCC1O HR148126 [1,1,0,0,0,0|0,0,2]=4 847 B8R1.5 NC1CCCNC1=O HR103141 [1,1,0,0,0,0|1,0,0]=3 848 B8R1.5 NC1CCCNC1=O HR109690 [1,1,0,0,0,0|1,0,0]=3 849 B8R1.5 NC1CCCNC1=O HR143772 [1,1,0,0,0,0|1,0,0]=3 850 B8R1.5 NC1CCOCC1F HR150486 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.5 NC1CCOCC1F HR150488 [1,1,0,0,0,0|2,0,0]=4 852 B8R1.5 NN1CCCCC1=O HR128047 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.5 O=C1CCCCC1=O HR133849 [1,1,0,0,0,0|0,0,1]=3 854 B8R1.5 O=C1CCCCC1Br HR121776 [1,1,0,0,0,0|0,0,0]=2 855 B8R1.5 O=C1CCCCC1Cl HR133138 [1,1,0,0,0,0|0,0,0]=2 856 B8R1.5 O=C1CCCCC1F HR150360 [1,1,0,0,0,0|0,0,0]=2 857 B8R1.5 O=C1CCNCC1Br HR118186 [1,1,0,0,0,0|1,0,0]=3 858 B8R1.5 O=C1CCNCC1F HR115169 [1,1,0,0,0,0|1,0,0]=3 859 B8R1.5 O=C1CCNCC1F HR149775 [1,1,0,0,0,0|1,0,0]=3 860 B8R1.5 O=C1CCOCC1F HR150373 [1,1,0,0,0,0|1,0,0]=3 861 B8R1.5 O=C1NCCCC1F HR149509 [1,1,0,0,0,0|1,0,0]=3 862 B8R1.5 O=C1NCCCC1O HR147038 [1,1,0,0,0,0|1,0,0]=3 863 B8R1.5 OC1CCCCC1Cl HR136648 [1,1,0,0,0,0|0,0,2]=4 864 B8R1.5 OC1CCCCC1O HR136389 [1,1,0,0,0,0|0,0,2]=4 865 B8R1.5 OC1CCCCC1O HR140132 [1,1,0,0,0,0|0,0,2]=4 866 B8R1.5 OC1CCNCC1F HR151100 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.5 OC1CCOCC1F HR150480 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.72 CC1(C)CCNCC1 HR145902 [1,1,0,0,0,0|1,0,1]=4 869 B8R1.72 CC1(C)CNCCN1 HR110687 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.72 CC1(C)CNCCO1 HR101922 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.72 CC1(C)CNCCO1 HR122095 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.72 CC1(N)CCOCC1 HR115606 [1,1,0,0,0,0|1,0,1]=4 873 B8R1.72 CC1(O)CCCCC1 HR107824 [1,1,0,0,0,0|0,0,1]=3 874 B8R1.72 CC1(O)CCNCC1 TOSA04610 [1,1,0,0,0,0|1,0,1]=4 875 B8R1.72 CC1(O)CCOCC1 HR148162 [1,1,0,0,0,0|1,0,1]=4 876 B8R1.72 C[N+]1(C)CCCCC1 HR132856 [1,1,0,0,0,0|1,0,1]=4 877 B8R1.72 C[N+]1(C)CCCCC1 HR144058 [1,1,0,0,0,0|1,0,1]=4 878 B8R1.72 FC1(F)CCCNC1 HR105946 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.72 FC1(F)CCCNC1 HR113287 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.72 O=S1(=O)CCCCN1 HR32664 [1,1,0,0,0,0|2,0,0]=4 881 B8R1.72 O=S1(=O)CCNCC1 FISA07810 [1,1,0,0,0,0|2,0,0]=4 882 B8R1.72 O=S1(=O)CCNCC1 HR10420 [1,1,0,0,0,0|2,0,0]=4 883 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,1,0,0,1,0|1,0,1]=4 884 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,1,0,0,1,0|1,0,1]=4 885 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,1,0,0,1,0|1,0,0]=3 886 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,1,0,0,1,0|1,0,0]=3 887 B8R1.1 CN1CCC(CN)C1 HR131003 [0,1,0,0,1,0|2,0,0]=4 888 B8R1.1 CN1CCC(CO)C1 HR119306 [0,1,0,0,1,0|2,0,0]=4 889 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,1,0,0,1,0|1,0,0]=3 890 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,1,0,0,1,0|1,0,0]=3 891 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,1,0,0,1,0|1,0,0]=3 892 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,1,0,0,1,0|1,0,0]=3 893 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,1,0,0,1,0|1,0,0]=3 894 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,1,0,0,1,0|1,0,0]=3 895 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,1,0,0,1,0|1,0,0]=3 896 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,1,0,0,1,0|2,0,0]=4 897 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,1,0,0,1,0|2,0,0]=4 898 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,1,0,0,1,0|2,0,0]=4 899 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,1,0,0,1,0|2,0,0]=4 900 B8R1.18 CC1CC(=O)N(C)C1 HR102594 [0,1,0,0,1,0|1,0,0]=3 901 B8R1.50 CC1=C(O)C(=O)CC1 HR129501 [0,1,0,0,1,0|0,0,2]=4 902 B8R1.50 CC1C(=O)CCC1=O HR137820 [0,1,0,0,1,0|1,0,1]=4 903 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,1,0,0,1,0|0,0,1]=3 904 B8R1.50 CC1CCC(=O)N1C HR142184 [0,1,0,0,1,0|1,0,0]=3 905 B8R1.50 O=C1OCC(O)C1O HR120212 [0,1,0,0,1,0|2,0,0]=4 906 B8R1.51 CC1(C)CCC(=O)N1 HR104854 [0,1,0,0,1,0|1,0,0]=3 907 B8R1.51 CC1(C)CNC(=O)C1 HR121474 [0,1,0,0,1,0|1,0,0]=3 908 B8R1.51 CC1(C)CNC(=O)N1 HR33167 [0,1,0,0,1,0|2,0,0]=4 909 B8R1.11 C=CN1CCCC1=O HR130278 [0,1,0,0,1,0|1,0,1]=4 910 B8R1.11 C=CN1CCCC1=O HR131788 [0,1,0,0,1,0|1,0,1]=4 911 B8R1.11 CCN1CCCC1=O HR134739 [0,1,0,0,1,0|1,0,0]=3 912 B8R1.11 CN1CCCC1CO HR103689 [0,1,0,0,1,0|2,0,0]=4 913 B8R1.11 CN1CCCC1CO HR123222 [0,1,0,0,1,0|2,0,0]=4 914 B8R1.11 CN1CCCC1CO HR137677 [0,1,0,0,1,0|2,0,0]=4 915 B8R1.11 N#CC1CCCC1=O HR126764 [0,1,0,0,1,0|0,0,1]=3 916 B8R1.11 N#CC1CSCC1=O HR107418 [0,1,0,0,1,0|1,0,1]=4 917 B8R1.11 NC1CCCC1CO HR120947 [0,1,0,0,1,0|1,0,1]=4 918 B8R1.11 NCC1CCCC1N HR142288 [0,1,0,0,1,0|1,0,1]=4 919 B8R1.19 CC1(C)CCCC1=O HR113458 [0,1,0,0,1,0|0,0,0]=2 920 B8R1.19 CC1CCOS1(=O)=O HR121223 [0,1,0,0,1,0|2,0,0]=4 921 B10R1.197 CCN1CCNC(=O)CC1 HR113052 [0,1,0,0,0,1|2,0,0]=4 922 B10R1.10 CCCC1CCCC(=O)O1 HR123755 [0,2,0,0,0,0|1,0,0]=3 923 B10R1.10 CCOC1=CC(=O)CCC1 HR144026 [0,2,0,0,0,0|0,0,2]=4 924 B10R1.113 CC(=O)N1CCCC(C)C1 HR101129 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.113 CC(C)N1CCCC(=O)C1 HR108552 [0,2,0,0,0,0|1,0,0]=3 926 B10R1.113 CC1CCCC(C(=O)O)N1 HR114833 [0,2,0,0,0,0|1,0,1]=4 927 B10R1.113 CC1CCNC(C(=O)O)C1 HR116329 [0,2,0,0,0,0|1,0,1]=4 928 B10R1.113 CN1CCCC(C(N)=O)C1 HR103587 [0,2,0,0,0,0|1,0,1]=4 929 B10R1.113 NC1CCCC(C(=O)O)C1 HR104601 [0,2,0,0,0,0|1,0,1]=4 930 B10R1.113 NC1CCCC(C(=O)O)C1 HR112328 [0,2,0,0,0,0|1,0,1]=4 931 B10R1.113 NC1CCCC(C(=O)O)C1 HR145740 [0,2,0,0,0,0|1,0,1]=4 932 B10R1.113 NC1CCCC(C(=O)O)C1 HR145741 [0,2,0,0,0,0|1,0,1]=4 933 B10R1.113 NC1CCCC(C(=O)O)C1 HR145763 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.113 NC1CCCC(C(=O)O)C1 HR145764 [0,2,0,0,0,0|1,0,1]=4 935 B10R1.113 NC1CCCC(C(=O)O)C1 HR145765 [0,2,0,0,0,0|1,0,1]=4 936 B10R1.113 O=C1CC(C(=O)O)CCN1 HR148708 [0,2,0,0,0,0|1,0,1]=4 937 B10R1.113 O=C1CCCC(C(=O)O)C1 HR112017 [0,2,0,0,0,0|0,0,1]=3 938 B10R1.113 O=C1CCCC(C(=O)O)N1 HR105564 [0,2,0,0,0,0|1,0,1]=4 939 B10R1.113 O=C1CCCC(C(=O)O)N1 HR121169 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.113 O=C1CCCC(C(=O)O)N1 HR149427 [0,2,0,0,0,0|1,0,1]=4 941 B10R1.113 O=C1CCNC(C(=O)O)C1 HR114863 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.113 O=C1CCNC(C(=O)O)C1 HR150929 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.171 CC1(C)CC(C=O)CCO1 HR121276 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.172 NCC1CCCC(CN)C1 HR108197 [0,2,0,0,0,0|1,0,1]=4 945 B10R1.114 CC1(C)C(=O)CCCC1=O HR101385 [0,2,0,0,0,0|1,0,1]=4 946 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HR132605 [0,2,0,0,0,0|0,0,1]=3 947 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HR131695 [0,2,0,0,0,0|0,0,2]=4 948 B10R1.329 CC1=CC(O)CC(C)(C)C1 HR143912 [0,2,0,0,0,0|1,0,1]=4 949 B10R1.329 CC1CC(=O)CC(C)(C)C1 HR124480 [0,2,0,0,0,0|0,0,0]=2 950 B10R1.329 CC1CC(O)CC(C)(C)C1 HR124410 [0,2,0,0,0,0|0,0,2]=4 951 B10R1.329 CC1CC(O)CC(C)(C)C1 HR133512 [0,2,0,0,0,0|0,0,2]=4 952 B10R1.120 CC1(C)CC(=O)CCC1O HR110345 [0,2,0,0,0,0|0,0,0]=2 953 B10R1.25 CC1=CC(C)C(C=O)CC1 HR135908 [0,2,0,0,0,0|1,0,1]=4 954 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,0,1,1,0,0|1,0,0]=3 955 B8R1.34 O=C(O)CC1COC1 HR145748 [0,0,1,1,0,0|2,0,0]=4 956 B8R1.40 NCC(=O)NC1CC1 HR145980 [0,0,1,1,0,0|2,0,0]=4 957 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,0,1,1,0,0|0,0,0]=2 958 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,0,1,1,0,0|2,0,0]=4 959 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,0,1,1,0,0|2,0,0]=4 960 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,0,1,1,0,0|2,0,0]=4 961 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,0,1,1,0,0|2,0,0]=4 962 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,0,1,1,0,0|2,0,0]=4 963 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,0,1,1,0,0|2,0,0]=4 964 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,0,1,1,0,0|2,0,0]=4 965 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,0,1,1,0,0|1,0,0]=3 966 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,0,1,1,0,0|2,0,0]=4 967 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,0,1,1,0,0|1,0,0]=3 968 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,0,1,1,0,0|2,0,0]=4 969 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,0,1,1,0,0|2,0,0]=4 970 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,0,1,1,0,0|2,0,0]=4 971 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,0,1,1,0,0|2,0,0]=4 972 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,0,1,1,0,0|2,0,0]=4 973 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,0,1,1,0,0|2,0,0]=4 974 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,0,1,1,0,0|2,0,0]=4 975 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,0,1,1,0,0|2,0,0]=4 976 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,0,1,1,0,0|2,0,0]=4 977 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,0,1,1,0,0|2,0,0]=4 978 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,0,1,1,0,0|2,0,0]=4 979 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,0,1,1,0,0|2,0,0]=4 980 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,0,1,1,0,0|2,0,0]=4 981 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,0,1,1,0,0|2,0,0]=4 982 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,1,1,0,0|1,0,1]=4 983 B8R1.22 NC1CC=CCCC1 HR120578 [0,0,1,1,0,0|2,0,0]=4 984 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,1,1,0,0|0,0,2]=4 985 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,1,1,0,0|1,0,0]=3 986 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,1,1,0,0|1,0,0]=3 987 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,1,1,0,0|1,0,0]=3 988 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,1,1,0,0|1,0,0]=3 989 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,1,1,0,0|1,0,0]=3 990 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,1,1,0,0|2,0,0]=4 991 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,1,1,0,0|2,0,0]=4 992 B8R1.22 OC1CCCCCC1 HR122711 [0,0,1,1,0,0|0,0,2]=4 993 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,0,1,1,0,0|1,0,0]=3 994 B8R1.36 CCCCCC1CO1 HR111230 [0,0,1,1,0,0|0,0,2]=4 995 B8R1.36 CCCCCC1CO1 HR111540 [0,0,1,1,0,0|0,0,2]=4 996 B8R1.8 NCCC1CCCC1 HR111513 [0,0,1,1,0,0|1,0,1]=4 997 B8R1.8 NCCC1CCCC1 HR146891 [0,0,1,1,0,0|1,0,1]=4 998 B8R1.8 O=C=NC1CCCC1 HR120079 [0,0,1,1,0,0|1,0,1]=4 999 B8R1.8 OCCC1CCCC1 HR111073 [0,0,1,1,0,0|0,0,2]=4 1000 B8R1.37 CCCC(=O)C1CC1 HR116824 [0,0,1,1,0,0|0,0,0]=2 1001 B8R1.37 CCOC(=O)C1CC1 HR132331 [0,0,1,1,0,0|1,0,0]=3 1002 B8R1.37 CCOC(=O)C1CO1 HR117347 [0,0,1,1,0,0|2,0,0]=4 1003 B8R1.37 CCOC(=O)C1CO1 HR119319 [0,0,1,1,0,0|2,0,0]=4 1004 B8R1.37 C\C=C\C(=O)C1CC1 HR116501 [0,0,1,1,0,0|0,0,2]=4 1005 B8R1.37 N#CCC(=O)C1CC1 HR108058 [0,0,1,1,0,0|1,0,1]=4 1006 B8R2.18 OC1CC2CC2C1 HR145840 [1,0,0,1,0,0|0,0,2]=4 1007 B8R2.23 C1NCC2CC1O2 HR145936 [1,0,0,1,0,0|2,0,0]=4 1008 B8R2.34 C1=CC2CC1CN2 HR146010 [1,0,0,1,0,0|1,0,1]=4 1009 B8R2.34 C1=CC2CCC1C2 HR140035 [1,0,0,1,0,0|0,0,1]=3 1010 B8R2.34 C1CC2CC1CN2 HR105019 [1,0,0,1,0,0|1,0,0]=3 1011 B8R2.34 C1CC2CC1CN2 HR120772 [1,0,0,1,0,0|1,0,0]=3 1012 B8R2.34 C1CC2CCC1N2 HR102818 [1,0,0,1,0,0|1,0,1]=4 1013 B8R2.34 C1NC2CNC1C2 HR122032 [1,0,0,1,0,0|2,0,0]=4 1014 B8R2.34 C1OC2CNC1C2 HR117094 [1,0,0,1,0,0|2,0,0]=4 1015 B8R2.34 C1OC2CNC1C2 HR117328 [1,0,0,1,0,0|2,0,0]=4 1016 B8R2.34 C1OC2CNC1C2 HR120312 [1,0,0,1,0,0|2,0,0]=4 1017 B10R2.71 O=C1CC2CCC(C1)N2 HR120774 [0,0,0,1,0,1|1,0,0]=3 1018 B10R2.71 O=C1CC2CCC(C1)N2 HR124577 [0,0,0,1,0,1|1,0,0]=3 1019 B10R2.71 O=C1CC2CCC(C1)O2 HR146321 [0,0,0,1,0,1|1,0,0]=3 1020 B10R2.62 O=C1CC2CCC1CC2 HR115155 [0,1,0,1,0,0|0,0,0]=2 1021 B10R2.62 O=C1CN2CCC1CC2 HR128985 [0,1,0,1,0,0|1,0,0]=3 1022 B10R2.62 O=C1CN2CCC1CC2 HR149224 [0,1,0,1,0,0|1,0,0]=3 1023 B10R2.99 O=CC1CC2CCC1C2 HR147687 [0,1,0,1,0,0|0,0,1]=3 1024 B6R0.3 CC(C)C(=O)CBr HR144939 [0,0,1,0,1,0|1,0,0]=3 1025 B6R0.3 CC(C)C(=O)NN HR137490 [0,0,1,0,1,0|2,0,0]=4 1026 B6R0.3 CC(CN)C(=O)O HR133030 [0,0,1,0,1,0|2,0,0]=4 1027 B6R0.3 CCC(=O)C(C)=O HR131826 [0,0,1,0,1,0|1,0,1]=4 1028 B6R0.3 CCC(=O)C(C)Cl HR114937 [0,0,1,0,1,0|1,0,0]=3 1029 B6R0.3 CCC(=O)N(C)C HR122269 [0,0,1,0,1,0|1,0,0]=3 1030 B6R0.3 CCC(Br)C(=O)Cl HR115509 [0,0,1,0,1,0|2,0,0]=4 1031 B6R0.3 CCC(Br)C(=O)O HR123595 [0,0,1,0,1,0|2,0,0]=4 1032 B6R0.3 CCC(C)C(=O)Cl HR144038 [0,0,1,0,1,0|1,0,0]=3 1033 B6R0.3 CCC(C)C(=O)O HR124401 [0,0,1,0,1,0|1,0,0]=3 1034 B6R0.3 CCC(C)C(=O)O HR124666 [0,0,1,0,1,0|1,0,0]=3 1035 B6R0.3 CCC(C)C(N)=O HR115534 [0,0,1,0,1,0|1,0,0]=3 1036 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,0,1,0,1,0|2,0,0]=4 1037 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,0,1,0,1,0|2,0,0]=4 1038 B6R0.3 CCC(N)C(=O)O HR100731 [0,0,1,0,1,0|2,0,0]=4 1039 B6R0.3 CCC(N)C(=O)O HR128531 [0,0,1,0,1,0|2,0,0]=4 1040 B6R0.3 CCC(N)C(=O)O HR128797 [0,0,1,0,1,0|2,0,0]=4 1041 B6R0.3 CCC(N)C(=O)O HR130831 [0,0,1,0,1,0|2,0,0]=4 1042 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,0,1,0,1,0|2,0,0]=4 1043 B6R0.3 CCC(N)C(N)=O HR113889 [0,0,1,0,1,0|2,0,0]=4 1044 B6R0.3 CCC(N)C(N)=O HR133280 [0,0,1,0,1,0|2,0,0]=4 1045 B6R0.3 CCC(O)C(=O)O HR145745 [0,0,1,0,1,0|2,0,0]=4 1046 B6R0.3 CCC(O)C(=O)O HR8265 [0,0,1,0,1,0|2,0,0]=4 1047 B6R0.3 CCC(S)C(C)=O HR124234 [0,0,1,0,1,0|1,0,0]=3 1048 B6R0.3 CCN(C)C(=O)Cl HR16066 [0,0,1,0,1,0|2,0,0]=4 1049 B6R0.3 CN(C)C(=O)CCl HR133574 [0,0,1,0,1,0|2,0,0]=4 1050 B6R0.3 CN(C)C(=O)CN HR107364 [0,0,1,0,1,0|2,0,0]=4 1051 B6R0.3 CN(C)C(=O)CN HR119152 [0,0,1,0,1,0|2,0,0]=4 1052 B6R0.3 CNC(=O)N(C)C HR100405 [0,0,1,0,1,0|2,0,0]=4 1053 B6R0.3 CNC(C)C(=O)O HR126490 [0,0,1,0,1,0|2,0,0]=4 1054 B6R0.3 CNC(C)C(=O)O HR131233 [0,0,1,0,1,0|2,0,0]=4 1055 B6R0.3 CNC(C)C(=O)O HR138734 [0,0,1,0,1,0|2,0,0]=4 1056 B6R0.3 CNC(C)C(=O)[O-] HR145674 [0,0,1,0,1,0|2,0,0]=4 1057 B6R0.3 COC(=O)C(C)Br HR123627 [0,0,1,0,1,0|2,0,0]=4 1058 B6R0.3 COC(=O)C(C)Cl HR133108 [0,0,1,0,1,0|2,0,0]=4 1059 B6R0.3 COC(=O)C(C)N HR10884 [0,0,1,0,1,0|2,0,0]=4 1060 B6R0.3 COC(=O)C(C)N HR126866 [0,0,1,0,1,0|2,0,0]=4 1061 B6R0.3 COC(=O)C(C)N HR127180 [0,0,1,0,1,0|2,0,0]=4 1062 B6R0.3 COC(=O)C(C)O HR133668 [0,0,1,0,1,0|2,0,0]=4 1063 B6R0.3 COC(=O)C(C)O HR6056 [0,0,1,0,1,0|2,0,0]=4 1064 B6R0.3 CON(C)C(C)=O HR136259 [0,0,1,0,1,0|2,0,0]=4 1065 B6R0.3 CSC(C)C(C)=O HR133684 [0,0,1,0,1,0|1,0,0]=3 1066 B6R1.2 BrC1CCCC1 HR146931 [1,0,0,0,1,0|1,0,0]=3 1067 B6R1.2 BrC1CCOC1 HR32206 [1,0,0,0,1,0|2,0,0]=4 1068 B6R1.2 CC1=NCCC1 HR128050 [1,0,0,0,1,0|1,0,1]=4 1069 B6R1.2 CC1CCCN1 HR11117 [1,0,0,0,1,0|1,0,0]=3 1070 B6R1.2 CC1CCCN1 HR136768 [1,0,0,0,1,0|1,0,0]=3 1071 B6R1.2 CC1CCCN1 HR137719 [1,0,0,0,1,0|1,0,0]=3 1072 B6R1.2 CC1CCCN1 HR137972 [1,0,0,0,1,0|1,0,0]=3 1073 B6R1.2 CC1CCCN1 HR138237 [1,0,0,0,1,0|1,0,0]=3 1074 B6R1.2 CC1CCCO1 HR10841 [1,0,0,0,1,0|1,0,0]=3 1075 B6R1.2 CC1CCNC1 HR117788 [1,0,0,0,1,0|1,0,0]=3 1076 B6R1.2 CC1CCNC1 HR121513 [1,0,0,0,1,0|1,0,0]=3 1077 B6R1.2 CC1CCNC1 HR142801 [1,0,0,0,1,0|1,0,0]=3 1078 B6R1.2 CC1CCNC1 HR142900 [1,0,0,0,1,0|1,0,0]=3 1079 B6R1.2 CC1CCNC1 HR143674 [1,0,0,0,1,0|1,0,0]=3 1080 B6R1.2 CC1CCOC1 HR144126 [1,0,0,0,1,0|1,0,0]=3 1081 B6R1.2 CC1CCSC1 HR124140 [1,0,0,0,1,0|1,0,0]=3 1082 B6R1.2 CC1COCO1 HR124771 [1,0,0,0,1,0|2,0,0]=4 1083 B6R1.2 CN1CCCC1 HR130486 [1,0,0,0,1,0|1,0,0]=3 1084 B6R1.2 ClC1=CCCC1 HR140861 [1,0,0,0,1,0|1,0,1]=4 1085 B6R1.2 ClC1CCCC1 HR100908 [1,0,0,0,1,0|1,0,0]=3 1086 B6R1.2 ClC1CCOC1 HR146389 [1,0,0,0,1,0|2,0,0]=4 1087 B6R1.2 FC1CCNC1 HR108608 [1,0,0,0,1,0|2,0,0]=4 1088 B6R1.2 FC1CCNC1 HR111906 [1,0,0,0,1,0|2,0,0]=4 1089 B6R1.2 FC1CCNC1 HR113706 [1,0,0,0,1,0|2,0,0]=4 1090 B6R1.2 FC1CCNC1 HR148267 [1,0,0,0,1,0|2,0,0]=4 1091 B6R1.2 IC1CCOC1 HR121544 [1,0,0,0,1,0|2,0,0]=4 1092 B6R1.2 NC1=NCCC1 HR112379 [1,0,0,0,1,0|2,0,0]=4 1093 B6R1.2 NC1=NCCC1 HR112697 [1,0,0,0,1,0|2,0,0]=4 1094 B6R1.2 NC1CC=CC1 HR106458 [1,0,0,0,1,0|1,0,1]=4 1095 B6R1.2 NC1CCCC1 TRXM00901 [1,0,0,0,1,0|1,0,0]=3 1096 B6R1.2 NC1CCNC1 HR122368 [1,0,0,0,1,0|2,0,0]=4 1097 B6R1.2 NC1CCNC1 HR122634 [1,0,0,0,1,0|2,0,0]=4 1098 B6R1.2 NC1CCNC1 HR123574 [1,0,0,0,1,0|2,0,0]=4 1099 B6R1.2 NC1CCNC1 HR123838 [1,0,0,0,1,0|2,0,0]=4 1100 B6R1.2 NC1CCNC1 HR136682 [1,0,0,0,1,0|2,0,0]=4 1101 B6R1.2 NC1CCNC1 HR136939 [1,0,0,0,1,0|2,0,0]=4 1102 B6R1.2 NC1CCOC1 HR110868 [1,0,0,0,1,0|2,0,0]=4 1103 B6R1.2 NC1CCOC1 HR119912 [1,0,0,0,1,0|2,0,0]=4 1104 B6R1.2 NC1CCOC1 HR145986 [1,0,0,0,1,0|2,0,0]=4 1105 B6R1.2 NC1CCOC1 HR15126 [1,0,0,0,1,0|2,0,0]=4 1106 B6R1.2 NC1CCOC1 HR15496 [1,0,0,0,1,0|2,0,0]=4 1107 B6R1.2 NC1CCOC1 HR33445 [1,0,0,0,1,0|2,0,0]=4 1108 B6R1.2 NC1CCOC1 HR33446 [1,0,0,0,1,0|2,0,0]=4 1109 B6R1.2 NN1CCCC1 HR127037 [1,0,0,0,1,0|2,0,0]=4 1110 B6R1.2 NN1CCCC1 HR4032 [1,0,0,0,1,0|2,0,0]=4 1111 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,0,1,0|0,0,2]=4 1112 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,0,1,0|0,0,2]=4 1113 B6R1.2 O=C1CCCC1 HR147576 [1,0,0,0,1,0|0,0,0]=2 1114 B6R1.2 O=C1CCCN1 HR144424 [1,0,0,0,1,0|1,0,0]=3 1115 B6R1.2 O=C1CCCN1 HR147307 [1,0,0,0,1,0|1,0,0]=3 1116 B6R1.2 O=C1CCNC1 HR126926 [1,0,0,0,1,0|1,0,0]=3 1117 B6R1.2 O=C1CCNC1 HR127189 [1,0,0,0,1,0|1,0,0]=3 1118 B6R1.2 O=C1CCNN1 HR146471 [1,0,0,0,1,0|2,0,0]=4 1119 B6R1.2 O=C1CCOC1 HR109194 [1,0,0,0,1,0|1,0,0]=3 1120 B6R1.2 O=C1CCSC1 HR5575 [1,0,0,0,1,0|1,0,0]=3 1121 B6R1.2 O=C1CNCN1 HR114619 [1,0,0,0,1,0|2,0,0]=4 1122 B6R1.2 O=C1NCCN1 HR124833 [1,0,0,0,1,0|2,0,0]=4 1123 B6R1.2 O=C1NCCN1 HR138382 [1,0,0,0,1,0|2,0,0]=4 1124 B6R1.2 O=C1NCCO1 HR134554 [1,0,0,0,1,0|2,0,0]=4 1125 B6R1.2 O=C1NCCS1 HR14582 [1,0,0,0,1,0|2,0,0]=4 1126 B6R1.2 O=C1OCCO1 APSA06102 [1,0,0,0,1,0|2,0,0]=4 1127 B6R1.2 OC1CC=CC1 HR30107 [1,0,0,0,1,0|1,0,1]=4 1128 B6R1.2 OC1CCNC1 HR122348 [1,0,0,0,1,0|2,0,0]=4 1129 B6R1.2 OC1CCNC1 HR128986 [1,0,0,0,1,0|2,0,0]=4 1130 B6R1.2 OC1CCNC1 HR135087 [1,0,0,0,1,0|2,0,0]=4 1131 B6R1.2 OC1CCNC1 HR137212 [1,0,0,0,1,0|2,0,0]=4 1132 B6R1.2 OC1CCNC1 HR137477 [1,0,0,0,1,0|2,0,0]=4 1133 B6R1.2 OC1CCNC1 HR138968 [1,0,0,0,1,0|2,0,0]=4 1134 B6R1.2 OC1CCOC1 HR133245 [1,0,0,0,1,0|2,0,0]=4 1135 B6R1.2 OC1CCOC1 HR137216 [1,0,0,0,1,0|2,0,0]=4 1136 B6R1.2 OC1CCOC1 HR16209 [1,0,0,0,1,0|2,0,0]=4 1137 B6R1.2 OC1CCOC1 HR7071 [1,0,0,0,1,0|2,0,0]=4 1138 B6R1.2 OC1CCSC1 HR122102 [1,0,0,0,1,0|2,0,0]=4 1139 B6R1.2 SC1CCCC1 HR134369 [1,0,0,0,1,0|1,0,0]=3 1140 B6R1.5 CC1CC(=O)C1 HR121137 [0,0,0,0,2,0|0,0,0]=2 1141 B6R1.5 CC1CC(N)C1 HR108536 [0,0,0,0,2,0|1,0,1]=4 1142 B6R1.5 NC1CC(=O)C1 HR145979 [0,0,0,0,2,0|1,0,0]=3 1143 B6R1.5 O=C1CC(Br)C1 HR120509 [0,0,0,0,2,0|1,0,0]=3 1144 B6R1.5 O=C1CC(O)C1 HR119245 [0,0,0,0,2,0|1,0,0]=3