0 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 Cc1cccc2c1cccc2 A15327 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 Cc1cccc2c1nccc2 L03288 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 Cc1cccc2c1nccn2 A19300 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 Cc1ccnc2c1cccc2 A14040 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 c1cc(c2cccnc2c1)N L19628 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [0,0,0,0,0,0|1,0,3]=4 7 B12R2.1081 c1cc2c(c(c1)O)nccn2 H35474 [0,0,0,0,0,0|1,0,0]=1 8 B12R2.1081 c1cc2c(cccn2)c(c1)Br L19634 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 c1cc2c(cccn2)c(c1)O H51096 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 c1cc2cccnc2c(c1)Br H25961 [0,0,0,0,0,0|1,0,0]=1 11 B12R2.1081 c1cc2cccnc2c(c1)N A16752 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.1081 c1cc2cccnc2c(c1)O 41272 [0,0,0,0,0,0|0,0,0]=0 13 B12R2.1081 c1cc2cccnc2c(c1)O A14720 [0,0,0,0,0,0|0,0,0]=0 14 B12R2.1081 c1cc2cccnc2c(c1)O L02743 [0,0,0,0,0,0|0,0,0]=0 15 B12R2.1081 c1cc2cccnc2c(c1)[O-] 43850 [0,0,0,0,0,0|0,0,1]=1 16 B12R2.1081 c1cc2cccnc2c(c1)[O-] H55656 [0,0,0,0,0,0|0,0,1]=1 17 B12R2.1081 c1cc2cnccc2c(c1)Br L19632 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.1081 c1cc2cnccc2c(c1)N L01223 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.1081 c1cc2cnccc2c(c1)O B25052 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl H56721 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [0,0,0,0,0,0|3,0,0]=3 24 B12R2.1081 c1ccc2c(c1)ccc[n+]2[O-] B25209 [0,0,0,0,0,0|2,0,1]=3 25 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [0,0,0,0,0,0|2,0,0]=2 26 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [0,0,0,0,0,0|2,0,0]=2 29 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [0,0,0,0,0,0|2,0,0]=2 30 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [0,0,0,0,0,0|1,0,0]=1 32 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [0,0,0,0,0,0|1,1,0]=2 33 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [0,0,0,0,0,0|2,0,0]=2 34 B12R2.1081 c1ccc2c(c1)ccnc2Cl L17831 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [0,0,0,0,0,0|2,0,0]=2 36 B12R2.1081 c1ccc2c(c1)cncc2Br A15951 [0,0,0,0,0,0|3,0,0]=3 37 B12R2.1081 c1ccc2c(c1)cnnc2Cl H27143 [0,0,0,0,0,0|4,0,0]=4 38 B11R2.20 c1cc2c(cccn2)nc1 H64484 [1,0,0,0,0,0|1,0,0]=2 39 B11R2.20 c1cc2c(nc1)nccn2 B22843 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,0,0,0|1,0,1]=3 41 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [1,0,0,0,0,0|0,0,1]=2 42 B11R2.20 c1ccc2c(c1)cccn2 43225 [1,0,0,0,0,0|0,0,0]=1 43 B11R2.20 c1ccc2c(c1)cccn2 A11545 [1,0,0,0,0,0|0,0,0]=1 44 B11R2.20 c1ccc2c(c1)cncn2 B24094 [1,0,0,0,0,0|1,0,0]=2 45 B11R2.20 c1ccc2c(c1)nccn2 A14055 [1,0,0,0,0,0|1,0,0]=2 46 B11R2.20 c1ccc2ccccc2c1 33347 [1,0,0,0,0,0|1,0,0]=2 47 B11R2.20 c1ccc2ccccc2c1 A13188 [1,0,0,0,0,0|1,0,0]=2 48 B11R2.20 c1ccc2cnccc2c1 B21279 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.20 c1ccc2cnncc2c1 A12270 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 Cc1ccc2ccccc2c1C L09774 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.32 c1cc2c(ccc(c2Br)N)nc1 H63150 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [0,1,0,0,0,0|1,0,1]=3 56 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br A14591 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.32 c1ccc2c(c1)c(=O)c(co2)I H34295 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [0,1,0,0,0,0|1,0,0]=2 61 B13R2.162 Cc1ccc2c(c1)c(=O)cco2 H27002 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl H59890 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.162 Cc1ccc2cccc(c2c1)C A18030 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [0,1,0,0,0,0|0,0,0]=1 66 B13R2.162 Cc1ccnc2c1cc(cc2)Br H33298 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.162 c1cc(=O)[nH]c2c1cncc2Br H50045 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.162 c1cc(cc2c1ccnc2Cl)Br L19946 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.162 c1cc(cc2c1ccnc2O)Br L17800 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br H54859 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl H54902 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.162 c1cc2c(cc1Br)c(ccn2)O H54974 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl H59307 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.162 c1cc2c(cc1F)c(=O)cco2 H31907 [0,1,0,0,0,0|2,0,1]=4 75 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl H50540 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [0,1,0,0,0,0|1,0,0]=2 78 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [0,1,0,0,0,0|1,0,0]=2 79 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.328 Cc1cc2ccccc2[n+](c1)[O-] L10635 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.328 c1ccc2c(c1)cc(nc2Br)N H50368 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl H59873 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.328 c1cnc2c(n1)c(nc(n2)O)O L06732 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.342 Cc1cccc2c1cccc2C A16819 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.342 Cc1cccc2c1nccc2Cl H50201 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.342 c1cc2c(c(c1)O)CCCC2=O A17034 [0,1,0,0,0,0|1,0,2]=4 98 B13R2.342 c1cc2c(cccc2N)c(c1)N B24262 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.342 c1cc2c(cccc2O)c(c1)O L04599 [0,1,0,0,0,0|1,0,0]=2 100 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl H50541 [0,1,0,0,0,0|1,0,0]=2 101 B13R2.342 c1cc2c(ccnc2c(c1)F)O H31831 [0,1,0,0,0,0|1,0,0]=2 102 B13R2.371 Cc1ccc(c2c1cccc2)Br H55039 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.371 Cc1ccc(c2c1cccc2)[Mg+] H54756 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.371 c1cc(c2cnccc2c1Br)Br H63034 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl B22856 [0,1,0,0,0,0|0,0,0]=1 106 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O A10958 [0,1,0,0,0,0|1,0,1]=3 107 B13R2.371 c1ccc2c(c1)c(ccc2Br)Br A18171 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.371 c1ccc2c(c1)c(ccc2Br)F A16934 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.371 c1ccc2c(c1)c(ccc2I)Br H64825 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.371 c1ccc2c(c1)c(ccc2O)N B23978 [0,1,0,0,0,0|1,0,0]=2 111 B13R2.1613 C=Cc1cccc2c1cccc2 H51043 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.1613 CC[n+]1cccc2c1cccc2 A17854 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.1613 CCc1cccc2c1cccc2 H56413 [0,1,0,0,0,0|2,0,0]=3 114 B13R2.1613 COc1cccc2c1cccc2 B24825 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.1613 COc1cccc2c1nccc2 H54430 [0,1,0,0,0,0|0,0,0]=1 116 B13R2.1613 c1cc(c2cccnc2c1)C=O L19641 [0,1,0,0,0,0|2,0,1]=4 117 B13R2.1613 c1cc2cccnc2c(c1)C=O L19642 [0,1,0,0,0,0|0,0,1]=2 118 B13R2.1613 c1cc2cnccc2c(c1)C=O L19636 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O L20203 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.1613 c1ccc2c(c1)cccc2C#N L14498 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [0,1,0,0,0,0|1,0,1]=3 122 B13R2.1613 c1ccc2c(c1)cccc2CBr H64116 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.1613 c1ccc2c(c1)cccc2CCl B24385 [0,1,0,0,0,0|2,0,0]=3 124 B13R2.1613 c1ccc2c(c1)cccc2CN L03541 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.1613 c1ccc2c(c1)cccc2CO L01347 [0,1,0,0,0,0|1,0,0]=2 126 B13R2.1613 c1ccc2c(c1)ccnc2C#N L19425 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.1613 c1ccc2c(c1)cncc2C=O H61788 [0,1,0,0,0,0|2,0,1]=4 128 B13R2.4818 c1cc2cccc(c2c(c1)N)N A15966 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl A15985 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.5179 c1cc2c(ccnc2cc1Cl)O L07119 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,0,1,0,0,0|1,0,2]=4 133 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,0,1,0,0,0|2,0,1]=4 134 B11R1.28 c1ccc(cc1)\C=C\C=N\O L05026 [0,0,1,0,0,0|2,0,0]=3 135 B11R1.53 B(c1ccccc1C=C)(O)O L19828 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,0,1,0,0,0|2,0,0]=3 137 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,0,1,0,0,0|3,0,0]=4 138 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,0,1,0|3,0,0]=4 139 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,0,1,0|3,0,0]=4 140 B11R2.1 Cn1ccc2c1cccc2 A12605 [0,0,0,0,1,0|3,0,0]=4 141 B11R2.1 c1cc2c(c(co2)Br)nc1 H33652 [0,0,0,0,1,0|2,0,0]=3 142 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,0,1,0|3,0,0]=4 143 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,0,1,0|3,0,0]=4 144 B11R2.106 Cc1cccc2c1[nH]cc2 L17521 [0,0,0,0,1,0|1,0,1]=3 145 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [0,0,0,0,1,0|3,0,0]=4 146 B11R2.106 c1c[nH]c2c1c(ccn2)Br H66114 [0,0,0,0,1,0|3,0,0]=4 147 B11R2.106 c1c[nH]c2c1c(ccn2)Cl H56734 [0,0,0,0,1,0|3,0,0]=4 148 B11R2.106 c1c[nH]c2c1ccnc2Cl H28946 [0,0,0,0,1,0|2,0,1]=4 149 B11R2.106 c1cc(c2c(c1)nsn2)N L09678 [0,0,0,0,1,0|3,0,0]=4 150 B11R2.106 c1cc(c2cc[nH]c2c1)N L17792 [0,0,0,0,1,0|2,0,0]=3 151 B11R2.106 c1cc(c2nccn2c1)Br H33841 [0,0,0,0,1,0|2,0,0]=3 152 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 H25843 [0,0,0,0,1,0|2,0,0]=3 153 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br L19417 [0,0,0,0,1,0|2,0,0]=3 154 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl H66153 [0,0,0,0,1,0|2,0,0]=3 155 B11R2.106 c1cc2c(cc[nH]2)c(c1)F H56011 [0,0,0,0,1,0|2,0,0]=3 156 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [0,0,0,0,1,0|1,0,0]=2 157 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br H64527 [0,0,0,0,1,0|3,0,0]=4 158 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl H37416 [0,0,0,0,1,0|3,0,0]=4 159 B11R2.106 c1cc2cc[nH]c2c(c1)Br 44422 [0,0,0,0,1,0|1,0,1]=3 160 B11R2.106 c1cc2cc[nH]c2c(c1)Cl L17637 [0,0,0,0,1,0|1,0,1]=3 161 B11R2.106 c1cc2cc[nH]c2c(c1)F L17621 [0,0,0,0,1,0|1,0,1]=3 162 B11R2.106 c1cc2cc[nH]c2c(c1)N L17794 [0,0,0,0,1,0|1,0,1]=3 163 B11R2.106 c1cc2ccoc2c(c1)Br H33129 [0,0,0,0,1,0|2,0,0]=3 164 B11R2.106 c1cc2cn[nH]c2c(c1)Br H32380 [0,0,0,0,1,0|2,0,1]=4 165 B11R2.106 c1cc2cn[nH]c2c(c1)N H34042 [0,0,0,0,1,0|2,0,1]=4 166 B11R2.106 c1cc2nccn2c(c1)Br H33240 [0,0,0,0,1,0|3,0,0]=4 167 B11R2.106 c1cnc(c2c1scc2)Cl H29157 [0,0,0,0,1,0|3,0,0]=4 168 B11R2.106 c1cnc-2[nH]cnc(c12)O H64537 [0,0,0,0,1,0|3,0,0]=4 169 B11R2.106 c1cnc2ccsc2c1O H50172 [0,0,0,0,1,0|2,0,0]=3 170 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.4 C=CCc1ccccc1O A10755 [1,0,1,0,0,0|0,0,1]=3 172 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.17 C=CCNc1ccccc1 H55821 [1,0,1,0,0,0|0,0,2]=4 175 B10R1.17 C=CCOc1ccccc1 L03359 [1,0,1,0,0,0|1,0,1]=4 176 B10R1.17 C=CCSc1ccccc1 L04771 [1,0,1,0,0,0|1,0,1]=4 177 B10R1.17 c1cc(cnc1)\C=C\C=O L14006 [1,0,1,0,0,0|0,0,1]=3 178 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [1,0,1,0,0,0|0,0,2]=4 179 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [1,0,1,0,0,0|0,0,2]=4 180 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [1,0,1,0,0,0|1,0,0]=3 181 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,0,1,0,0,0|1,0,1]=4 182 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,0,1,0,0,0|1,0,1]=4 183 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,0,1,0,0,0|1,0,1]=4 184 B10R1.20 C=Cc1ccccc1C=C 42804 [1,0,1,0,0,0|1,0,0]=3 185 B10R1.20 C=Cc1ccccc1C=C 42805 [1,0,1,0,0,0|1,0,0]=3 186 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [1,0,1,0,0,0|2,0,0]=4 187 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [1,0,1,0,0,0|2,0,0]=4 188 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [1,0,1,0,0,0|2,0,0]=4 189 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [1,0,1,0,0,0|2,0,0]=4 190 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [1,0,1,0,0,0|2,0,0]=4 191 B10R1.245 C=Cc1c(cccc1Cl)Cl L07860 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.245 c1cc(c(c(c1)F)C=O)O L19900 [1,0,1,0,0,0|2,0,0]=4 193 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.226 c1cc(cc(c1)Br)\C=C\C(=O)O A16035 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O A14466 [0,1,1,0,0,0|1,0,0]=3 200 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A11414 [0,1,1,0,0,0|2,0,0]=4 201 B12R2.24 Cc1cc2ccccc2nc1 A13109 [1,1,0,0,0,0|0,0,0]=2 202 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [1,1,0,0,0,0|0,0,0]=2 203 B12R2.24 Cc1ccc2c(c1)nccn2 L11090 [1,1,0,0,0,0|1,0,0]=3 204 B12R2.24 Cc1ccc2ccccc2c1 L02459 [1,1,0,0,0,0|1,0,0]=3 205 B12R2.24 Cc1ccc2ccccc2n1 A13412 [1,1,0,0,0,0|0,0,0]=2 206 B12R2.24 Cc1ccc2cccnc2c1 42475 [1,1,0,0,0,0|0,0,0]=2 207 B12R2.24 Cc1ccc2cccnc2n1 H34032 [1,1,0,0,0,0|1,0,0]=3 208 B12R2.24 Cc1cnc2ccccc2n1 A15895 [1,1,0,0,0,0|1,0,0]=3 209 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [1,1,0,0,0,0|1,0,1]=4 210 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [1,1,0,0,0,0|0,0,0]=2 212 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [1,1,0,0,0,0|0,0,0]=2 213 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [1,1,0,0,0,0|0,0,0]=2 214 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [1,1,0,0,0,0|0,0,0]=2 215 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [1,1,0,0,0,0|0,0,0]=2 216 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [1,1,0,0,0,0|0,0,0]=2 217 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,1,0,0,0,0|0,0,0]=2 218 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [1,1,0,0,0,0|0,0,0]=2 219 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,1,0,0,0,0|1,0,0]=3 220 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,1,0,0,0,0|0,0,0]=2 221 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,1,0,0,0,0|0,0,0]=2 222 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,1,0,0,0,0|0,0,0]=2 223 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,1,0,0,0,0|0,0,0]=2 224 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [1,1,0,0,0,0|1,0,0]=3 225 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,1,0,0,0,0|1,0,0]=3 228 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,1,0,0,0,0|1,0,0]=3 229 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,1,0,0,0,0|1,0,0]=3 230 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,1,0,0,0,0|2,0,0]=4 231 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [0,1,0,0,1,0|2,0,0]=4 232 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,1,0,0,1,0|1,0,1]=4 233 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [0,1,0,0,1,0|1,0,0]=3 234 B12R2.202 Cc1cccc2c1nc(s2)N A10822 [0,1,0,0,1,0|2,0,0]=4 235 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N A18160 [0,1,0,0,1,0|2,0,0]=4 236 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N L05440 [0,1,0,0,1,0|2,0,0]=4 237 B12R2.221 c1cc(c2c(c1F)cc[nH]2)Br H54387 [0,1,0,0,1,0|1,0,1]=4 238 B12R2.221 c1cc(c2cc[nH]c2c1F)Br H54587 [0,1,0,0,1,0|1,0,1]=4 239 B12R2.246 Cc1cc2ccoc2c(c1)Br H34347 [0,1,0,0,1,0|2,0,0]=4 240 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F H54536 [0,1,0,0,1,0|2,0,0]=4 241 B12R2.246 c1c[nH]c2c1cc(cc2Br)F H54811 [0,1,0,0,1,0|1,0,1]=4 242 B12R2.246 c1c[nH]c2c1cc(cc2N)Br L17795 [0,1,0,0,1,0|1,0,1]=4 243 B12R2.246 c1cn2cc(cc(c2n1)Br)Cl H35094 [0,1,0,0,1,0|2,0,0]=4 244 B12R2.246 c1cn2cc(cc(c2n1)I)Br H37542 [0,1,0,0,1,0|2,0,0]=4 245 B12R2.246 c1coc2c1cc(cc2Br)F H33948 [0,1,0,0,1,0|2,0,0]=4 246 B12R2.315 CCc1cccc2c1[nH]cc2 L14875 [0,1,0,0,1,0|1,0,1]=4 247 B12R2.315 COc1cccc2c1[nH]cc2 H63767 [0,1,0,0,1,0|0,0,1]=3 248 B12R2.315 COc1cccc2c1cc[nH]2 L19069 [0,1,0,0,1,0|1,0,0]=3 249 B12R2.315 c1cc(c2cc[nH]c2c1)C#N H63391 [0,1,0,0,1,0|2,0,0]=4 250 B12R2.315 c1cc(c2cc[nH]c2c1)C=O H28019 [0,1,0,0,1,0|1,0,1]=4 251 B12R2.315 c1cc(c2cc[nH]c2c1)CN H54963 [0,1,0,0,1,0|2,0,0]=4 252 B12R2.315 c1cc2cc[nH]c2c(c1)C=O L17506 [0,1,0,0,1,0|0,0,2]=4 253 B12R2.315 c1cc2ccnn2c(c1)C=O H50074 [0,1,0,0,1,0|1,0,1]=4 254 B14R2.92 COc1ccc2ccccc2c1Br A18926 [0,2,0,0,0,0|2,0,0]=4 255 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr H50240 [0,2,0,0,0,0|2,0,0]=4 256 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [0,2,0,0,0,0|1,0,0]=3 257 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O B23951 [0,2,0,0,0,0|1,0,1]=4 258 B14R2.203 c1ccc2c(c1)ccc(c2N=O)O A10622 [0,2,0,0,0,0|1,0,1]=4 259 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O A13593 [0,2,0,0,0,0|1,0,1]=4 260 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Br)Br A14284 [0,2,0,0,0,0|0,0,0]=2 261 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Cl)Cl B23809 [0,2,0,0,0,0|0,0,0]=2 262 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)Cl A11137 [0,2,0,0,0,0|0,0,0]=2 263 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O A11880 [0,2,0,0,0,0|1,0,1]=4 264 B14R2.142 c1cc2ccc(nc2c(c1)O)C#N H50433 [0,2,0,0,0,0|0,0,0]=2 265 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl H50556 [0,2,0,0,0,0|1,0,0]=3 266 B14R2.8045 Cc1cccc2c1nc(cc2C)Cl H50151 [0,2,0,0,0,0|1,0,0]=3 267 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C H51714 [0,2,0,0,0,0|1,0,0]=3 268 B14R2.8045 c1cnc2c(c1Cl)cc(cc2F)F H59428 [0,2,0,0,0,0|1,0,0]=3 269 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O L07612 [0,2,0,0,0,0|2,0,0]=4 270 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)Br)F H66128 [0,2,0,0,0,0|2,0,0]=4 271 B14R2.1146 COc1cc(=O)oc2c1cccc2 A13670 [0,2,0,0,0,0|2,0,0]=4 272 B14R2.8051 c1cc2c(c(c1)O)C(=O)C=CC2=O H28343 [0,2,0,0,0,0|1,0,0]=3 273 B14R2.1131 COc1ccc(c2c1cccc2)O B20701 [0,2,0,0,0,0|1,0,0]=3 274 B14R2.1131 COc1ccc(c2c1nccc2)Br H54386 [0,2,0,0,0,0|0,0,0]=2 275 B14R2.1131 c1ccc2c(c1)c(ccc2F)C#N B25335 [0,2,0,0,0,0|2,0,0]=4 276 B14R2.7150 CCNc1cccc2c1cccc2 A19502 [0,2,0,0,0,0|2,0,0]=4 277 B14R2.7150 CCOc1cccc2c1nccc2 A16997 [0,2,0,0,0,0|0,0,0]=2 278 B14R2.7150 CNCc1cccc2c1cccc2 H28719 [0,2,0,0,0,0|2,0,0]=4 279 B14R2.7150 c1ccc2c(c1)cccc2CC#N L06696 [0,2,0,0,0,0|2,0,0]=4 280 B14R2.7150 c1ccc2c(c1)cccc2CCBr 43491 [0,2,0,0,0,0|2,0,0]=4 281 B14R2.7150 c1ccc2c(c1)cccc2CCO H27218 [0,2,0,0,0,0|1,0,0]=3 282 B14R2.7150 c1ccc2c(c1)cccc2N=C=O A17200 [0,2,0,0,0,0|1,0,1]=4 283 B14R2.7150 c1ccc2c(c1)cccc2N=C=S L12418 [0,2,0,0,0,0|1,1,0]=4 284 B14R2.31359 B(c1cccc2c1cccc2)(O)O B21219 [0,2,0,0,0,0|1,0,0]=3 285 B14R2.31359 B(c1cccc2c1cccn2)(O)O L19639 [0,2,0,0,0,0|2,0,0]=4 286 B14R2.31359 B(c1cccc2c1ccnc2)(O)O H52470 [0,2,0,0,0,0|2,0,0]=4 287 B14R2.31359 B(c1cccc2c1ccnc2)(O)O H53230 [0,2,0,0,0,0|2,0,0]=4 288 B14R2.31359 B(c1cccc2c1nccc2)(O)O L19640 [0,2,0,0,0,0|0,0,0]=2 289 B14R2.31359 B(c1cncc2c1cccc2)(O)O L20430 [0,2,0,0,0,0|2,0,0]=4 290 B14R2.31359 CC(=O)c1cccc2c1cccc2 A12918 [0,2,0,0,0,0|1,0,1]=4 291 B14R2.31359 CC(c1cccc2c1cccc2)N L09342 [0,2,0,0,0,0|2,0,0]=4 292 B14R2.31359 CN(C)c1cccc2c1cccc2 36438 [0,2,0,0,0,0|2,0,0]=4 293 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N A17176 [0,2,0,0,0,0|2,0,0]=4 294 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N L19301 [0,2,0,0,0,0|2,0,0]=4 295 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O H60100 [0,2,0,0,0,0|1,0,0]=3 296 B14R2.31359 C[C@H](c1cccc2c1cccc2)N A16918 [0,2,0,0,0,0|2,0,0]=4 297 B14R2.31359 C[C@H](c1cccc2c1cccc2)N H66696 [0,2,0,0,0,0|2,0,0]=4 298 B14R2.31359 C[C@H](c1cccc2c1cccc2)N L19300 [0,2,0,0,0,0|2,0,0]=4 299 B14R2.31359 c1cc(c2cccnc2c1)C(=O)O L19643 [0,2,0,0,0,0|2,0,0]=4 300 B14R2.31359 c1cc2cccnc2c(c1)C(=O)O L19644 [0,2,0,0,0,0|0,0,0]=2 301 B14R2.31359 c1cc2cccnc2c(c1)[N+](=O)[O-] B23574 [0,2,0,0,0,0|0,0,1]=3 302 B14R2.31359 c1cc2cnccc2c(c1)C(=O)O L19637 [0,2,0,0,0,0|2,0,0]=4 303 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=O)O L14611 [0,2,0,0,0,0|2,0,0]=4 304 B14R2.31359 c1ccc2c(c1)cccc2C(=O)Cl A14460 [0,2,0,0,0,0|1,0,1]=4 305 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N L08364 [0,2,0,0,0,0|1,0,1]=4 306 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O A10273 [0,2,0,0,0,0|1,0,0]=3 307 B14R2.31359 c1ccc2c(c1)cccc2C(=S)N H52204 [0,2,0,0,0,0|1,1,0]=4 308 B14R2.31359 c1ccc2c(c1)ccnc2C(=O)O L05985 [0,2,0,0,0,0|2,0,0]=4 309 B12R2.2 c1ccc(cc1)c2cccs2 H60819 [0,0,1,1,0,0|1,1,0]=4 310 B12R2.2 c1ccnc(c1)c2cc[nH]n2 H50670 [0,0,1,1,0,0|2,0,0]=4 311 B12R2.2 c1ccnc(c1)c2cccs2 L04775 [0,0,1,1,0,0|0,1,0]=3 312 B12R2.2 c1ccnc(c1)c2cnco2 H34123 [0,0,1,1,0,0|1,0,0]=3 313 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [0,0,1,1,0,0|2,0,0]=4 314 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [0,0,1,1,0,0|1,1,0]=4 315 B14R3.164 c1cc2cccc3c2c(c1)CC3 A14922 [0,1,0,1,0,0|2,0,0]=4 316 B10R2.7 c1c[nH]c2c1ccnc2 H64458 [1,0,0,0,1,0|1,0,1]=4 317 B10R2.7 c1c[nH]c2c1cncc2 H64272 [1,0,0,0,1,0|1,0,1]=4 318 B10R2.7 c1cc2c(cc[nH]2)nc1 H64224 [1,0,0,0,1,0|1,0,0]=3 319 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,0,1,0|1,0,0]=3 320 B10R2.7 c1cc2c(nc1)nc[nH]2 B25051 [1,0,0,0,1,0|2,0,0]=4 321 B10R2.7 c1cc2cc[nH]c2nc1 L07983 [1,0,0,0,1,0|1,0,0]=3 322 B10R2.7 c1cc2cn[nH]c2nc1 H61710 [1,0,0,0,1,0|2,0,0]=4 323 B10R2.7 c1cc2nccn2nc1 H61377 [1,0,0,0,1,0|2,0,0]=4 324 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,0,1,0|0,0,1]=3 325 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,0,1,0|0,0,1]=3 326 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,0,1,0|1,0,0]=3 327 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,0,1,0|2,0,0]=4 328 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,0,1,0|0,0,1]=3 329 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,0,1,0|1,0,0]=3 330 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,0,1,0|1,0,0]=3 331 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,0,1,0|1,0,1]=4 332 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,0,1,0|2,0,0]=4 333 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,0,1,0|1,0,0]=3 334 B10R2.7 c1ccc2c(c1)ncs2 A10380 [1,0,0,0,1,0|1,0,0]=3 335 B10R2.7 c1ccc2c(c1)non2 L11229 [1,0,0,0,1,0|2,0,0]=4 336 B10R2.7 c1ccc2c(c1)nsn2 43730 [1,0,0,0,1,0|2,0,0]=4 337 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [1,0,0,0,1,0|2,0,0]=4 338 B10R2.7 c1ccn2c(c1)ccn2 H35502 [1,0,0,0,1,0|1,0,0]=3 339 B10R2.7 c1cncc2c1[nH]cn2 L06930 [1,0,0,0,1,0|2,0,0]=4