0 B10R1.21 CCCCCc1cccs1 TS10504 [0,0,0,0,0,0|0,1,0]=1 1 B10R1.21 CCCCCc1ccsc1 TS41456 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.21 CCCCCn1ccnc1 TS37231 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.21 c1cc(oc1)CSCCN TS10886 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.21 c1cc(sc1)CCN=C=O TS41284 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.12 CCCCC1=CCCC1 TS05061 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.12 CCCCc1[nH]ccn1 TS36021 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,0,0|0,1,0]=2 9 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.12 CCCCn1ccnc1 TS00425 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.12 CCSCc1ccco1 TS37624 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.12 CNCCc1c[nH]cn1 TS53960 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.12 CSSCc1ccco1 TS42220 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.12 c1c(nc[nH]1)CCCN TS36075 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.12 c1cc(oc1)CN=C=S TS37302 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.12 c1cc(oc1)COC=S TS37580 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.12 c1ccn(c1)CCCBr TS39573 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.12 c1ccn(c1)CCCO TS08736 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.12 c1cnn(c1)CCCN TS05096 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.4 CCCCCCc1cccs1 TS65619 [0,1,0,0,0,0|0,1,0]=2 22 B11R1.4 CCCCCCc1ccsc1 TS02785 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.4 CCCCCSc1[nH]cnn1 TS13051 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.4 c1cc(oc1)CNCCC#N TS09897 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.4 c1cc(oc1)COCCC#N TS10022 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.25 COC(=O)CCc1cccs1 TS45152 [0,1,0,0,0,0|1,1,1]=4 29 B11R1.25 c1cc(oc1)CCC(=O)NN TS41373 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.27 CCCCCc1nnc(s1)N TS13050 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.29 CCCOC(=O)c1ccco1 TS10415 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.29 CNCCC(c1cccs1)O TS13048 [0,1,0,0,0,0|1,1,0]=3 34 B11R1.29 c1cc(sc1)C(=O)CCCCl TS16095 [0,1,0,0,0,0|1,1,1]=4 35 B11R1.30 CCOC(=O)Cc1ccc[nH]1 TS87512 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.30 CCOC(=O)Cc1cccs1 TS12824 [0,1,0,0,0,0|1,1,1]=4 37 B11R1.172 CC(=O)CSCc1ccco1 TS12834 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.172 c1cc(sc1)CCCC(=O)O TS12828 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.180 CCCCCC1=CCCC1=O TS41181 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.180 CCOCCc1c(ncs1)C TS13049 [0,1,0,0,0,0|2,1,0]=4 41 B9R0.5 CCCCCC(=O)OC=C TS06709 [0,0,1,0,0,0|1,0,0]=2 42 B9R0.5 CCCCCC(=O)OCC TS06974 [0,0,1,0,0,0|1,0,2]=4 43 B9R0.5 CCCCCC(CC=C)O TS06739 [0,0,1,0,0,0|0,0,2]=3 44 B9R0.45 CC=CC=CCCCCO TS06516 [0,0,1,0,0,0|2,0,0]=3 45 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,1,0,0,0|0,0,2]=3 46 B9R0.45 CCCCC=CC=CCO TS06495 [0,0,1,0,0,0|0,0,2]=3 47 B9R0.45 CCCCCC=CCCC TS06525 [0,0,1,0,0,0|1,0,2]=4 48 B9R0.45 CCCCCC=CCCC TS06539 [0,0,1,0,0,0|1,0,2]=4 49 B9R0.45 CCCCCC=CCCO TS06745 [0,0,1,0,0,0|0,0,2]=3 50 B9R0.45 CCCCCC=COCC TS06766 [0,0,1,0,0,0|2,0,1]=4 51 B9R0.45 CCCCCCC=CC=O TS37409 [0,0,1,0,0,0|0,0,2]=3 52 B9R0.45 CCCCCCC=CCC TS06528 [0,0,1,0,0,0|1,0,2]=4 53 B9R0.45 CCCCCCC=CCC TS06538 [0,0,1,0,0,0|1,0,2]=4 54 B9R0.45 CCCCCCC=CCO TS37637 [0,0,1,0,0,0|0,0,2]=3 55 B9R0.45 CCCCCCCCC=C TS06521 [0,0,1,0,0,0|1,0,2]=4 56 B9R0.45 CCCCCCOCC=C TS06762 [0,0,1,0,0,0|0,0,2]=3 57 B11R2.2 C1CCC(C1)C2=CCCC2 TS06125 [0,0,0,1,0,0|1,0,2]=4 58 B11R2.2 C1CCC(C1)C2CCC=C2 TS06126 [0,0,0,1,0,0|1,0,2]=4 59 B11R2.2 c1cc(oc1)C2CCCN2 TS06196 [0,0,0,1,0,0|1,0,0]=2 60 B11R2.2 c1cc(sc1)C2CCCN2 TS10345 [0,0,0,1,0,0|1,1,0]=3 61 B11R2.2 c1cc(sc1)C2OCCO2 TS10690 [0,0,0,1,0,0|2,1,0]=4 62 B11R2.2 c1cc(sc1)N2CCCC2 TS10341 [0,0,0,1,0,0|1,1,0]=3 63 B11R2.2 c1cnc([nH]1)C2CCCN2 TS06198 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.2 c1cocc1C2CCCN2 TS47055 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.2 c1csc(n1)C2CCCN2 TS41417 [0,0,0,1,0,0|2,1,0]=4 66 B11R2.2 c1cscc1C2CCCN2 TS16453 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.18 c1cn2c(n1)CCCCC2 TS37032 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.106 CC1c2ccsc2CCN1 TS10343 [0,0,0,1,0,0|1,1,0]=3 69 B11R2.106 c1coc2c1C(=O)CCC2 TS36983 [0,0,0,1,0,0|1,0,1]=3 70 B11R2.106 c1csc2c1C(=O)CCC2 TS85075 [0,0,0,1,0,0|1,1,1]=4 71 B11R1.28 C#CCCCc1ccccc1 TS07011 [0,0,0,0,0,1|1,0,2]=4 72 B11R1.28 CC=CCCc1ccncc1 TS07375 [0,0,0,0,0,1|1,0,2]=4 73 B11R1.28 CCCC#Cc1ccccc1 TS07004 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.28 CCCC=Cc1ccccc1 TS07261 [0,0,0,0,0,1|1,0,2]=4 75 B11R1.28 CCCCCN1CC=NC=C1 TS09943 [0,0,0,0,0,1|2,0,0]=3 76 B11R1.28 CCCCCc1ccccc1 TS07508 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.28 CCCCCc1ccccn1 TS07608 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.28 CCCCNc1ccccc1 TS07616 [0,0,0,0,0,1|2,0,0]=3 79 B11R1.28 CCCCOc1ccccc1 TS40903 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.28 CCCCOc1ccccn1 TS41040 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.28 CCCNCc1ccccc1 TS40768 [0,0,0,0,0,1|2,0,0]=3 82 B11R1.28 CCOCCc1ccccn1 TS41030 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.28 CNCCCc1ccccc1 TS07594 [0,0,0,0,0,1|2,0,0]=3 84 B11R1.28 CNCCOc1ccccc1 TS50641 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [0,0,0,0,0,1|2,0,1]=4 86 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.28 c1ccc(cc1)CCCCN TS40769 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.28 c1ccc(cc1)CCCCO TS09769 [0,0,0,0,0,1|2,0,0]=3 89 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.28 c1ccc(cc1)CNCCN TS09934 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.28 c1ccc(cc1)COCCBr TS01375 [0,0,0,0,0,1|3,0,0]=4 92 B11R1.28 c1ccc(cc1)COCCCl TS45252 [0,0,0,0,0,1|3,0,0]=4 93 B11R1.28 c1ccc(cc1)COCCN TS50637 [0,0,0,0,0,1|3,0,0]=4 94 B11R1.28 c1ccc(cc1)COCCO TS59944 [0,0,0,0,0,1|3,0,0]=4 95 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [0,0,0,0,0,1|3,0,0]=4 96 B11R1.28 c1ccc(cc1)CSCCN TS19660 [0,0,0,0,0,1|3,0,0]=4 97 B11R1.28 c1ccc(cc1)CSCCO TS44906 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.28 c1ccc(cc1)NCCCN TS09931 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.28 c1ccc(cc1)OCCCO TS41131 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.28 c1ccc(cc1)SCCCN TS19659 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.28 c1cnccc1CCCCCl TS38931 [0,0,0,0,0,1|2,0,0]=3 104 B11R1.28 c1cnccc1CSCCO TS12707 [0,0,0,0,0,1|3,0,0]=4 105 B8R0.1 CCCCC(=O)C=CC TS05182 [1,0,1,0,0,0|0,0,2]=4 106 B8R0.1 CCCCC(=O)OC=C TS05348 [1,0,1,0,0,0|1,0,0]=3 107 B8R0.1 CCCCC(C=CC)O TS05375 [1,0,1,0,0,0|0,0,2]=4 108 B8R0.1 CCCCC(CC=C)O TS36339 [1,0,1,0,0,0|0,0,2]=4 109 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.4 CCCC=CC=CCO TS36154 [1,0,1,0,0,0|0,0,2]=4 111 B8R0.4 CCCCC=CC=CC TS05047 [1,0,1,0,0,0|1,0,0]=3 112 B8R0.4 CCCCC=CCCO TS36327 [1,0,1,0,0,0|0,0,2]=4 113 B8R0.4 CCCCCC#CC=C TS32531 [1,0,1,0,0,0|0,0,2]=4 114 B8R0.4 CCCCCC=CC=O TS36157 [1,0,1,0,0,0|0,0,1]=3 115 B8R0.4 CCCCCC=CCC TS36181 [1,0,1,0,0,0|0,0,2]=4 116 B8R0.4 CCCCCC=CCO TS05393 [1,0,1,0,0,0|0,0,1]=3 117 B8R0.4 CCCCCCC=CC TS05227 [1,0,1,0,0,0|0,0,2]=4 118 B8R0.4 CCCCCCC=NO TS36429 [1,0,1,0,0,0|1,0,1]=4 119 B8R0.4 CCCCCCCC=C TS05208 [1,0,1,0,0,0|0,0,2]=4 120 B8R0.4 CCCCCCOC=O TS36508 [1,0,1,0,0,0|1,0,1]=4 121 B8R0.4 CCCCCOCC=C TS05379 [1,0,1,0,0,0|0,0,1]=3 122 B8R0.6 CCCCCC(=O)C=C TS05201 [1,0,1,0,0,0|0,0,1]=3 123 B8R0.6 CCCCCC(=O)OC TS36499 [1,0,1,0,0,0|1,0,1]=4 124 B8R0.6 CCCCCC(C=C)O TS36349 [1,0,1,0,0,0|0,0,1]=3 125 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [1,0,1,0,0,0|0,0,1]=3 126 B8R0.6 CCCCNC(=O)C=C TS05274 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.6 CCCCOC(=O)C=C TS36291 [1,0,1,0,0,0|1,0,1]=4 128 B8R1.8 CCCc1[nH]ccn1 TS02464 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.8 CCCc1ccco1 TS31836 [2,0,0,0,0,0|0,0,0]=2 130 B8R1.8 CCCc1cccs1 TS36171 [2,0,0,0,0,0|0,1,0]=3 131 B8R1.8 CCCc1ccsc1 TS36172 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.8 CCNc1cccs1 TS36245 [2,0,0,0,0,0|1,1,0]=4 133 B8R1.8 CNCc1ccco1 TS04251 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.8 CNCc1ccco1 TS07391 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.8 CNCc1cccs1 TS01562 [2,0,0,0,0,0|1,1,0]=4 136 B8R1.8 CNCc1cccs1 TS11775 [2,0,0,0,0,0|1,1,0]=4 137 B8R1.8 CNCc1ccno1 TS04292 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.8 COCc1ccco1 TS31900 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.8 CSCc1ccco1 TS05367 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.8 c1cc(oc1)CCO TS31915 [2,0,0,0,0,0|1,0,0]=3 141 B8R1.8 c1cc(sc1)CCBr TS51245 [2,0,0,0,0,0|1,1,0]=4 142 B8R1.8 c1cc(sc1)CCN TS46632 [2,0,0,0,0,0|1,1,0]=4 143 B8R1.8 c1cc(sc1)CCN TS65662 [2,0,0,0,0,0|1,1,0]=4 144 B8R1.8 c1cc(sc1)CCN TS93665 [2,0,0,0,0,0|1,1,0]=4 145 B8R1.8 c1cc(sc1)CCO TS65661 [2,0,0,0,0,0|1,1,0]=4 146 B8R1.8 c1coc(n1)CCN TS00111 [2,0,0,0,0,0|2,0,0]=4 147 B10R0.91 CCCCCC(=O)OCC=C TS41655 [0,1,1,0,0,0|1,0,0]=3 148 B10R0.91 CCCCCC(C=CC=O)O TS41640 [0,1,1,0,0,0|0,0,1]=3 149 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [0,1,1,0,0,0|1,0,1]=4 150 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,1,1,0,0,0|0,0,1]=3 151 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,1,1,0,0,0|0,0,2]=4 152 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,1,1,0,0,0|0,0,1]=3 153 B10R0.71 CCCCCC=CC=CC=C TS40931 [0,1,1,0,0,0|1,0,0]=3 154 B10R0.71 CCCCCC=CC=CC=O TS41184 [0,1,1,0,0,0|0,0,1]=3 155 B10R0.71 CCCCCC=CC=CCO TS41441 [0,1,1,0,0,0|0,0,0]=2 156 B10R0.71 CCCCCC=CCCC=O TS10501 [0,1,1,0,0,0|0,0,2]=4 157 B10R0.71 CCCCCC=CCCC=O TS41430 [0,1,1,0,0,0|0,0,2]=4 158 B10R0.71 CCCCCC=CCCCO TS10760 [0,1,1,0,0,0|0,0,2]=4 159 B10R0.71 CCCCCCCC=CC=O TS41440 [0,1,1,0,0,0|0,0,2]=4 160 B10R0.71 CCCCCCCC=CCO TS41687 [0,1,1,0,0,0|0,0,2]=4 161 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,1,0,0,0|2,0,0]=4 162 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,1,1,0,0,0|0,0,1]=3 163 B10R1.11 CCCC(=O)c1ccco1 TS06270 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.11 CCCC(=O)c1cccs1 TS10473 [1,1,0,0,0,0|0,1,1]=4 165 B10R1.11 CCCC(c1ccco1)O TS37386 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.11 CCOC(=O)c1ccco1 TS06431 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.16 CCCCc1ccc(s1)C TS10505 [1,1,0,0,0,0|0,1,0]=3 168 B10R1.16 Cc1cc(on1)CCCO TS37490 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.16 Cc1ccc(o1)CSSC TS13563 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.66 CC(=O)OCc1ccco1 TS37347 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.66 CC(=S)OCc1ccco1 TS10696 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.66 CC(C)SCc1ccco1 TS41673 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.1 CCCCCc1ccc(cc1)Br TS24327 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.1 CCCCCc1ccc(cc1)N TS11756 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.1 CCCCCc1ccc(cc1)O TS42805 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.1 CCCCCc1ccc(cc1)[Zn+] TS78445 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.1 CCCCCc1cnc(nc1)Cl TS15400 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.1 CCCCNc1ccc(cc1)O TS12062 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.1 CCCCOc1ccc(cc1)Br TS52801 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.1 CCCCOc1ccc(cc1)C TS42790 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.1 CCCCOc1ccc(cc1)N TS12063 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.1 CCCCOc1ccc(cc1)O TS12261 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.1 CCCCOc1ccc(cn1)N TS43122 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.1 c1cc(ccc1CCCCO)O TS12269 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.8 CC#CCCCc1ccccc1 TS41962 [0,1,0,0,0,1|1,0,1]=4 188 B12R1.8 CC=CCCCc1ccccc1 TS42215 [0,1,0,0,0,1|1,0,1]=4 189 B12R1.8 CCCCC#Cc1ccccc1 TS41955 [0,1,0,0,0,1|1,0,1]=4 190 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.8 CCCCCCc1ccccc1 TS11621 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.8 CCCCCCc1ccccn1 TS42629 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.8 CCCCCCc1cccnc1 TS11745 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.8 CCCCCNc1ccccc1 TS42630 [0,1,0,0,0,1|1,0,0]=3 195 B12R1.8 CCCCN=Cc1ccccc1 TS42355 [0,1,0,0,0,1|1,0,1]=4 196 B12R1.8 CCCCOCc1ccccc1 TS42802 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.8 CCCNCCc1ccccn1 TS11944 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.8 CCCOCCc1ccccn1 TS42951 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.8 CNCCCCc1cccnc1 TS42807 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.8 CNCCNCc1ccccc1 TS11928 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [0,1,0,0,0,1|1,0,0]=3 203 B12R1.8 c1ccc(cc1)CNCCCN TS11942 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.8 c1ccc(cc1)CNCCCO TS56364 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.8 c1ccc(cc1)COCCCBr TS01376 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.8 c1ccc(cc1)COCCCCl TS48686 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.8 c1ccc(cc1)COCCCO TS12246 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.8 c1ccc(cc1)OCCCCCl TS48684 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.8 c1ccc(cc1)OCCCCN TS12069 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,1,0,0,0,1|1,0,1]=4 211 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,1,0,0,0,1|0,0,0]=2 212 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,1,0,0,0,1|1,0,0]=3 213 B12R1.28 CCCCNc1cccc(c1)C TS11758 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,1,0,0,0,1|1,0,1]=4 216 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,1,0,0,0,1|1,0,1]=4 217 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,1,0,0,0,1|1,0,0]=3 218 B12R1.30 CCCCN(c1ccccc1)N TS11936 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [0,1,0,0,0,1|2,0,0]=4 220 B12R1.30 CNCCC(c1ccccc1)Cl TS22708 [0,1,0,0,0,1|2,0,0]=4 221 B12R1.30 CNCCC(c1ccccc1)O TS00158 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.30 CNCC[C@H](c1ccccc1)O TS94530 [0,1,0,0,0,1|2,0,0]=4 223 B12R1.30 c1cc(cnc1)C(CCCN)N TS12080 [0,1,0,0,0,1|2,0,0]=4 224 B12R1.30 c1ccnc(c1)C(CCCN)N TS12081 [0,1,0,0,0,1|2,0,0]=4 225 B12R1.30 c1cnccc1C(CCCN)N TS12079 [0,1,0,0,0,1|2,0,0]=4 226 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,1,0,0,0,1|1,0,1]=4 227 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,1,0,0,0,1|1,0,0]=3 228 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,1,0,0,0,1|2,0,0]=4 229 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,1,0,0,0,1|2,0,0]=4 230 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,1,0,0,0,1|1,0,0]=3 231 B12R1.252 CN(C)CCCc1ccncc1 TS11940 [0,1,0,0,0,1|2,0,0]=4 232 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,1,0,0,0,1|1,0,0]=3 234 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.267 CCNCCc1ccccc1F TS12407 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.7 CCCCCCc1cc(cs1)Br TS27591 [0,2,0,0,0,0|0,1,0]=3 237 B12R1.7 CCCCCCc1cnc(s1)N TS48627 [0,2,0,0,0,0|1,1,0]=4 238 B12R1.35 CCCCCC(=O)c1ccco1 TS12265 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.35 CCCCOC(=O)c1ccco1 TS12524 [0,2,0,0,0,0|0,0,1]=3 240 B12R1.37 CCCCCCCc1cc[nH]c1 TS12093 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.37 CCCCCCCc1ccco1 TS12290 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.37 CCCCCCCc1cccs1 TS15039 [0,2,0,0,0,0|0,1,0]=3 243 B12R1.37 CCCCCCCc1ccsc1 TS15040 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.51 CCOC(=O)CCc1ccco1 TS55375 [0,2,0,0,0,0|0,0,1]=3 245 B12R1.255 c1cc(sc1)CCCCC(=O)O TS48594 [0,2,0,0,0,0|0,1,1]=4 246 B12R1.372 CCCCCCc1ccsc1Br TS08303 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.54 CC(C)COC(=O)c1ccco1 TS12522 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.54 CN(C)CCC(c1cccs1)O TS48776 [0,2,0,0,0,0|1,1,0]=4 249 B12R1.54 CN(C)CC[C@@H](c1cccs1)O TS00215 [0,2,0,0,0,0|1,1,0]=4 250 B12R1.260 c1cc(oc1)C[C@@H](CC(=O)O)N TS44998 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.260 c1cc(oc1)C[C@H](CC(=O)O)N TS44988 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.10 CCCc1cccc(c1)O TS70692 [0,0,1,1,0,0|0,0,2]=4 253 B10R1.19 C=CN1CCCCCC1=O TS37307 [0,0,1,1,0,0|1,0,1]=4 254 B10R1.377 C=CCC1(CCCCC1)O TS37413 [0,0,1,1,0,0|0,0,2]=4 255 B10R1.4 CCCc1ccccc1O TS06077 [0,0,1,1,0,0|0,0,2]=4 256 B10R1.17 CCCC[n+]1ccccc1 TS21989 [0,0,1,1,0,0|2,0,0]=4 257 B10R1.17 CCCC[n+]1ccccc1 TS45400 [0,0,1,1,0,0|2,0,0]=4 258 B10R1.17 CCCCc1ccccc1 TS36870 [0,0,1,1,0,0|1,0,1]=4 259 B10R1.17 CCCCc1ccccn1 TS06002 [0,0,1,1,0,0|1,0,1]=4 260 B10R1.17 CCCCc1cccnc1 TS06012 [0,0,1,1,0,0|1,0,1]=4 261 B10R2.7 C1CCC2=C(C1)CC=C2 TS04833 [1,0,0,1,0,0|1,0,0]=3 262 B10R2.7 c1[nH]c2c(n1)CCCC2 TS02216 [1,0,0,1,0,0|2,0,0]=4 263 B10R2.7 c1c2c([nH]n1)CCCC2 TS04923 [1,0,0,1,0,0|2,0,0]=4 264 B10R2.7 c1c[nH]c2c1CCCC2 TS70812 [1,0,0,1,0,0|1,0,0]=3 265 B10R2.7 c1cc2n(c1)CCNC2 TS87629 [1,0,0,1,0,0|2,0,0]=4 266 B10R2.7 c1cn2c(n1)CCCC2 TS32514 [1,0,0,1,0,0|2,0,0]=4 267 B10R2.7 c1csc2c1CCNC2 TS70815 [1,0,0,1,0,0|1,1,0]=4 268 B10R2.7 c1csc2c1CCNC2 TS87392 [1,0,0,1,0,0|1,1,0]=4 269 B10R2.7 c1csc2c1CNCC2 TS70816 [1,0,0,1,0,0|1,1,0]=4 270 B10R2.7 c1csc2c1CNCC2 TS70817 [1,0,0,1,0,0|1,1,0]=4 271 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,0,0,1,0,1|2,0,0]=4 272 B12R2.2 c1cc(cnc1)C2CCCN2 TS55881 [0,0,0,1,0,1|2,0,0]=4 273 B12R2.2 c1cc(cnc1)C2CCNC2 TS02502 [0,0,0,1,0,1|2,0,0]=4 274 B12R2.2 c1cc(cnc1)C2CCNC2 TS23241 [0,0,0,1,0,1|2,0,0]=4 275 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [0,0,0,1,0,1|1,0,0]=3 276 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [0,0,0,1,0,1|2,0,0]=4 277 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [0,0,0,1,0,1|2,0,0]=4 280 B12R2.2 c1ccc(cc1)N2CCCC2 TS40567 [0,0,0,1,0,1|2,0,0]=4 281 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [0,0,0,1,0,1|2,0,0]=4 282 B12R2.2 c1ccc(cc1)[S+]2CCCC2 TS60856 [0,0,0,1,0,1|2,0,0]=4 283 B12R2.2 c1ccnc(c1)C2CCCN2 TS40681 [0,0,0,1,0,1|2,0,0]=4 284 B12R2.2 c1ccnc(c1)C2CCNC2 TS08831 [0,0,0,1,0,1|2,0,0]=4 285 B12R2.2 c1cnccc1C2CCCN2 TS03187 [0,0,0,1,0,1|2,0,0]=4 286 B12R2.2 c1cnccc1C2CCNC2 TS40676 [0,0,0,1,0,1|2,0,0]=4 287 B12R2.2 c1cnccc1N2CCCC2 TS03188 [0,0,0,1,0,1|2,0,0]=4 288 B12R2.2 c1cncnc1C2CCCN2 TS07579 [0,0,0,1,0,1|2,0,0]=4 289 B12R2.41 c1cc2c(nc1)CCCCC2 TS40566 [0,0,0,1,0,1|1,0,0]=3 290 B12R2.41 c1ccc2c(c1)CCCCN2 TS47128 [0,0,0,1,0,1|2,0,0]=4 291 B12R2.41 c1ccc2c(c1)CCNCC2 TS90746 [0,0,0,1,0,1|2,0,0]=4 292 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,0,0,1,0,1|2,0,0]=4 293 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,0,0,1,0,1|2,0,0]=4 294 B12R2.1081 c1cc2c(nc1)C(CCC2)Cl TS43286 [0,0,0,1,0,1|2,0,0]=4 295 B12R2.1081 c1cc2c(nc1)C(CCC2)N TS32647 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.1081 c1cc2c(nc1)C(CCC2)O TS71333 [0,0,0,1,0,1|2,0,0]=4 297 B12R2.1081 c1cc2c(nc1)CCCC2N TS40663 [0,0,0,1,0,1|2,0,0]=4 298 B12R2.1081 c1cc2c(nc1)CCCC2O TS07566 [0,0,0,1,0,1|2,0,0]=4 299 B12R2.1081 c1cc2c(nc1)[C@@H](CCC2)N TS40673 [0,0,0,1,0,1|2,0,0]=4 300 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,0,0,1,0,1|2,0,0]=4 301 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,0,0,1,0,1|2,0,0]=4 302 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,0,0,1,0,1|2,0,0]=4 303 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,0,0,1,0,1|2,0,0]=4 304 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,0,0,1,0,1|2,0,0]=4 305 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,0,0,1,0,1|2,0,0]=4 306 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,0,0,1,0,1|2,0,0]=4 307 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,0,0,1,0,1|2,0,0]=4 308 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,0,0,1,0,1|2,0,0]=4 309 B12R2.2057 c1ccc(cc1)CNC2CC2 TS07374 [0,0,0,1,0,1|2,0,0]=4 310 B12R2.2057 c1ccc(cc1)NCC2CC2 TS48499 [0,0,0,1,0,1|2,0,0]=4 311 B12R2.2057 c1cnccc1NCC2CC2 TS23240 [0,0,0,1,0,1|2,0,0]=4 312 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,0,0,1,0,1|2,0,0]=4 313 B12R2.2383 c1cc(oc1)COCC2CO2 TS10413 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.6 c1c(coc1C2OCCO2)Br TS22523 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.6 c1c(n[nH]c1N)C2CCCC2 TS10089 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.2399 c1cc(oc1)C=CC2(CC2)N TS07568 [0,1,0,1,0,0|0,0,2]=4 317 B8R1.36 CCCCCC1CO1 TS04480 [0,0,0,0,2,0|0,0,2]=4 318 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [0,0,0,0,2,0|0,0,2]=4