0 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [1,0,0,0,0,0|1,0,1]=3 11 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [1,0,0,0,0,0|1,0,1]=3 14 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [1,0,0,0,0,0|1,0,1]=3 23 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [1,0,0,0,0,0|1,0,1]=3 25 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 c1cc2cncnc2cc1Br PB23522 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 c1cc2cncnc2cc1N AB60731 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [1,0,0,0,0,0|2,0,1]=4 49 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 PB31669 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.8239 Cc1ccc2cc(c(cc2n1)C)C AB45155 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.8239 Cc1ccc2cc(c(cc2n1)Cl)Cl AB05547 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.28472 Cc1cc2c(ccnc2cc1C)Cl AB52102 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.28472 Cc1cc2c(ccnc2cc1C)N AB52053 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.28472 Cc1cc2c(ccnc2cc1C)O AB05728 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl PB11934 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl AB43475 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.28472 c1cnc2cc(c(cc2c1N)Cl)Cl AB43479 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl AB05716 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,1,0,0,0|1,0,2]=4 63 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,0,1,0,0,0|1,0,1]=4 69 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [2,0,0,0,0,0|0,0,1]=3 70 B11R2.20 c1cc2cccnc2nc1 AB02373 [2,0,0,0,0,0|2,0,0]=4 71 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|2,0,0]=4 72 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [1,1,0,0,0,0|0,0,1]=3 77 B13R2.57 c1cc2c(ccc(n2)CN)nc1 AB68446 [1,1,0,0,0,0|1,0,1]=4 78 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.155 c1c(cnc2c1NC(=O)CO2)Br AB09637 [1,1,0,0,0,0|1,0,1]=4 90 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,1,0,0,0,0|1,0,0]=3 92 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.155 c1cc(nc2c1ccc(n2)F)O AB45677 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.162 c1cc(nc2c1nccc2Br)Br PB11778 [1,1,0,0,0,0|1,0,1]=4 105 B13R2.162 c1cc(nc2c1nccc2Cl)Cl PB27264 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [1,1,0,0,0,0|1,0,0]=3 116 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,1,0,0,0,0|1,0,0]=3 117 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.3683 c1cc(nc2c1nc(cc2)Br)Br AB05216 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.3683 c1cc(nc2c1nc(cc2)Cl)Cl AB16862 [1,1,0,0,0,0|1,0,1]=4 134 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [1,1,0,0,0,0|1,0,0]=3 136 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [1,1,0,0,0,0|1,0,0]=3 137 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.5179 c1cnc2cc(cnc2c1Br)Br PB19818 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br PB26720 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl PB28975 [1,1,0,0,0,0|1,0,1]=4 148 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [0,1,0,0,1,0|2,0,0]=4 149 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,1,0,0,1,0|1,0,1]=4 150 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,1,0,0,1,0|1,0,1]=4 151 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,1,0,0,1,0|1,0,1]=4 152 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,1,0,0,1,0|1,0,1]=4 153 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,1,0,0,1,0|1,0,1]=4 154 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,1,0,0,1,0|1,0,1]=4 155 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,1,0,0,1,0|1,0,1]=4 156 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,1,0,0,1,0|1,0,1]=4 157 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O AB25887 [0,2,0,0,0,0|2,0,0]=4 158 B15R2.21243 Cn1c2ccccc2cc(c1=O)C=O CB10923 [0,2,0,0,0,0|1,0,1]=4 159 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 PB10995 [0,0,1,1,0,0|1,1,0]=4 160 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,1,1,0,0|2,0,0]=4 161 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)N AB19632 [0,0,1,1,0,0|1,0,1]=4 162 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,0,1,1,0,0|2,0,0]=4 163 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,0,1,0|0,0,2]=4 165 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,0,1,0|1,0,1]=4 166 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [1,0,0,0,1,0|1,0,1]=4 167 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [1,0,0,0,1,0|0,0,1]=3 168 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [1,0,0,0,1,0|2,0,0]=4 169 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,0,1,0|1,0,1]=4 170 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [1,0,0,0,1,0|2,0,0]=4 171 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [1,0,0,0,1,0|1,0,1]=4 172 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,1,0|2,0,0]=4 173 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,1,0|2,0,0]=4 174 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [1,0,0,0,1,0|1,0,0]=3