0 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 CCC(c1cnccn1)N PB31632 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 COC(=O)C1=CCOCC1 PB14958 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 B(c1cccnc1)(O)O AB17635 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.6 B(c1cccnc1)(O)O PB14187 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.6 B(c1cnccn1)(O)O AB48451 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 B(c1cncnc1)(O)O PB23323 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 c1c(cncn1)C(=N)N AB27559 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 c1c(cncn1)C(=S)N AB21762 [1,0,0,0,0,0|2,1,0]=4 52 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 c1cc(cnc1)N=C=O AB08187 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.12 B(c1cccnc1)(OC)OC AB09365 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.222 COC(=O)C1C=CN=NC1=O PB26960 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,0|0,0,0]=1 193 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,0,0|0,0,0]=1 199 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,0,0,0,0|3,0,0]=4 210 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|2,0,0]=3 216 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,1,0,0|1,0,0]=2 221 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,0,0,1,0,0|2,0,1]=4 222 B9R1.11 CNC(=O)C1=CN=NC1 MB11645 [0,0,0,0,1,0|2,0,1]=4 223 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,0,0,0,1,0|0,0,1]=2 224 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,0,0,0,1,0|1,0,1]=3 225 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,0,0,0,1,0|1,0,1]=3 226 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,0,0,0,1,0|1,0,1]=3 227 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,0,0,0,1,0|1,0,1]=3 228 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,1,0|1,0,0]=2 229 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,0,0,1,0|1,0,0]=2 230 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,0,0,1,0|1,0,0]=2 231 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,0,0,1,0|1,0,0]=2 232 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,0,0,1,0|1,0,0]=2 233 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,1,0|1,0,0]=2 234 B9R1.11 c1c(con1)C(=O)NN AB29325 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.11 c1c(nco1)C(=O)NN AB28148 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,0,0,0,1,0|3,0,0]=4 237 B9R1.11 c1c(ocn1)C(=O)NN AB19294 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.11 c1c(scn1)C(=O)NN AB28338 [0,0,0,0,1,0|3,0,0]=4 239 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,0,0,0,1,0|3,0,0]=4 240 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,0,0,0,1,0|3,0,0]=4 241 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.11 c1coc(n1)C(=O)NN AB19281 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.11 c1cocc1C(=O)NN MB02283 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.11 c1conc1C(=O)NN AB28024 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.11 c1cscc1C(=O)NN MB01758 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,1|2,0,0]=3 249 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,1|0,0,0]=1 251 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,0,1|1,0,0]=2 252 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,0,0,0,0,1|1,0,0]=2 255 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,0,1|1,0,0]=2 256 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.2 C#Cc1cccnc1 PB29186 [2,0,0,0,0,0|0,0,2]=4 258 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 CNc1cncnc1 AB60774 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|0,0,0]=2 261 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 c1c(cncn1)CO PB18631 [2,0,0,0,0,0|1,0,1]=4 265 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|1,0,1]=4 267 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,1]=4 268 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.2 c1cc(nnc1)CO PB30818 [2,0,0,0,0,0|1,0,1]=4 272 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|1,0,1]=4 275 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 c1cnncc1CO PB26178 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.13 B(c1ccc(nc1)Br)(O)O AB14131 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.13 B(c1ccc(nc1)Cl)(O)O AB13412 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.13 B(c1ccc(nc1)F)(O)O AB14135 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.13 B(c1ccc(nc1)N)(O)O PB31438 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 c1c(cnc(n1)Br)C(=O)N MB14155 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.13 c1cc(ncc1C(=N)N)F PB38856 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|0,0,0]=2 333 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br PB21612 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl AB00655 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.13 c1cc(ncc1[N+](=O)[O-])F AB13439 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.28 CC(C)(c1cccnc1)N AB48740 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl AB15457 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl PB34068 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.61 B(c1cccnc1Br)(O)O AB17846 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.61 B(c1cccnc1C)(O)O AB25945 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 B(c1cccnc1Cl)(O)O PB10233 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.61 B(c1cccnc1F)(O)O AB14130 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 B(c1cccnc1F)(O)O AB17194 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 B(c1cccnc1O)(O)O AB59785 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.61 B(c1cnccc1C)(O)O AB15952 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.61 B(c1cnccc1Cl)(O)O AB30062 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.61 B(c1cnccc1F)(O)O AB32070 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.61 B(c1cnccc1O)(O)O AB59789 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.61 CC(=O)c1cccnc1Br AB18171 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.61 CC(=O)c1cccnc1F AB41104 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.61 CC(=O)c1cccnc1N AB11689 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.61 CC(=O)c1ccncc1Br PB12099 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.61 CC(=O)c1ccncc1F PB22036 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.61 CC(=O)c1ccncc1N AB41121 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.61 CC(=O)c1cnccc1Br AB64732 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.61 CC(=O)c1cnccc1F AB41107 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.61 CC(c1cnccc1Cl)N AB68000 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 CN(C)c1cnccc1O MB24989 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.61 Cc1cccnc1C(=O)O PB10121 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.61 Cc1ccncc1C(=O)C AB45306 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.61 Cc1ccncc1C(=O)O PB17119 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 Cc1ccncc1[N+](=O)[O-] PB27407 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.61 Cc1cnccc1C(=O)O PB12103 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.61 Cc1cnncc1C(=O)O PB17923 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] PB12717 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] PB33644 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] AB17641 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] PB27580 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [1,1,0,0,0,0|0,0,0]=2 428 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.61 c1cncc(c1N)[N+](=O)[O-] PB15655 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.61 c1nc(c(nn1)C(=O)O)O AB72460 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.113 B(c1cc(cnc1)Br)(O)O AB12651 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.113 B(c1cc(cnc1)Cl)(O)O AB29845 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.113 B(c1cc(cnc1)F)(O)O AB31983 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 B(c1cc(cnc1)N)(O)O AB40635 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 c1c(cncc1Br)C(=N)N MB05915 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] AB17991 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.113 c1c(cncc1F)[N+](=O)[O-] AB67769 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,1,0,0,0,0|0,0,0]=2 478 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.113 c1c(cncc1[N+](=O)[O-])N AB17982 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.11 CCOC(=O)C1=CN=NC1 PB25908 [0,1,0,0,1,0|1,0,1]=4 529 B10R1.11 CCOC(=O)C1=NC=NC1 AB11920 [0,1,0,0,1,0|1,0,1]=4 530 B10R1.11 CCOC(=O)C1=NN=CC1 AB06196 [0,1,0,0,1,0|1,0,1]=4 531 B10R1.11 CCOC(=O)C1=NN=CC1 PB27452 [0,1,0,0,1,0|1,0,1]=4 532 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,0,1,0|1,0,0]=3 533 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.11 CCOC(=O)c1ncns1 AB77003 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.14 CC1=NC(=NC1)C(=O)OC AB53499 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.14 CNC(=O)c1nc(cs1)Br AB66075 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,1,0,0,1,0|0,0,1]=3 547 B10R1.14 COC(=O)C1=NC(=NC1)Br AB75843 [0,1,0,0,1,0|1,0,1]=4 548 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,0,1,0|0,0,1]=3 549 B10R1.14 COC(=O)C1=NN=C(C1)N AB43460 [0,1,0,0,1,0|1,0,1]=4 550 B10R1.14 COC(=O)c1[nH]c(nn1)Br MB13542 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.14 COC(=O)c1[nH]c(nn1)Cl MB15035 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,1,0|1,0,0]=3 554 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,1,0|1,0,0]=3 555 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.14 Cc1[nH]c(nn1)C(=O)OC AB53506 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,1,0|1,0,0]=3 568 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.14 Cc1nc(no1)C(=O)OC AB44667 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.14 Cn1cnc(n1)C(=O)OC PB21294 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.149 CC1=C(C=NC1)C(=O)OC AB56145 [0,1,0,0,1,0|0,0,1]=3 576 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,1,0,0,1,0|0,0,1]=3 577 B10R1.149 CC1=NC=NC1C(=O)OC AB66528 [0,1,0,0,1,0|1,0,1]=4 578 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,1,0,0,1,0|0,0,1]=3 579 B10R1.149 COC(=O)C1=C(N=NC1)N AB12757 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,1,0,0,1,0|0,0,1]=3 581 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,1,0,0,1,0|0,0,1]=3 582 B10R1.149 COC(=O)C1=NC=NC1N AB66095 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.149 COC(=O)C1=NN=CC1Br AB06264 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.149 COC(=O)C1=NN=CC1N PB23303 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,1,0,0,1,0|1,0,0]=3 590 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,1,0|0,0,1]=3 592 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.149 Cn1cncc1C(=O)OC PB26064 [0,1,0,0,1,0|1,0,0]=3 594 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.34 COC(=O)C(c1ccccn1)N CB11313 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,1,0,0,0,1|0,0,0]=2 605 B12R1.49 COC(=O)Nc1cnc(cn1)Br MB14334 [0,1,0,0,0,1|1,0,0]=3 606 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,1,0,0,0,1|1,0,0]=3 610 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,1,0,0,0,1|0,0,0]=2 611 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.50 COC(=O)Nc1cncc(n1)Br MB14345 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,1|1,0,0]=3 618 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,1|0,0,0]=2 620 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.13 COC(c1cc(cnc1)Cl)OC AB45538 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [0,2,0,0,0,0|0,0,0]=2 625 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [0,2,0,0,0,0|0,0,0]=2 626 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [0,2,0,0,0,0|0,0,0]=2 634 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.308 CCOC(=O)c1c(ncnn1)C AB72453 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.308 CCOC(=O)c1c(ncnn1)Cl AB72452 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.308 CCOC(=O)c1c(nncn1)Cl AB72426 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,2,0,0,0,0|0,0,0]=2 647 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [0,2,0,0,0,0|0,0,0]=2 653 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [0,2,0,0,0,0|0,0,0]=2 654 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,2,0,0,0,0|0,0,0]=2 655 B12R1.308 CCOC(=O)c1cncnc1Cl AB32643 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.5 COC(=O)c1ccc(cc1)C#C AB04259 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.5 COC(=O)c1ccc(cn1)C#C AB69053 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.5 COC(=O)c1ccc(cn1)CBr AB31485 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,2,0,0,0,0|0,0,0]=2 664 B12R1.5 COC(=O)c1ccc(nc1)CBr AB56164 [0,2,0,0,0,0|0,0,0]=2 665 B12R1.5 COC(=O)c1ccc(nc1)CCl AB06109 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.5 COC(=O)c1ccc(nc1)CO AB06608 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.5 COC(=O)c1ccc(nn1)NN PB15260 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.5 COC(=O)c1cnc(cn1)C=O AB65854 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.5 COC(=O)c1cnc(nc1)C#C AB69147 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.5 COC(=O)c1cnc(nc1)CCl AB58933 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.5 COC(=O)c1cnc(nc1)SC PB24623 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.20 CN(C)C(=O)c1ccc(nc1)Br MB14271 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.20 CN(C)C(=O)c1ccc(nn1)Cl MB11673 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.20 CN(C)C(=O)c1cnc(cn1)Br MB14247 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.367 CCC(=O)c1cnc(c(n1)C)C AB77034 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br MB35713 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl MB32480 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.367 CNC(=O)c1ccc(c(c1)O)F MB25339 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.367 CNC(=O)c1ccc(c(c1)O)I MB25347 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.367 CNC(=O)c1ccc(c(c1)O)N MB25356 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.367 COC(=O)c1cc(c(cn1)F)N AB73600 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.367 COC(=O)c1cc(c(cn1)O)O PB34753 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.367 COC(=O)c1cc(c(nc1)Cl)N AB11451 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.367 COC(=O)c1cc(c(nc1)I)N AB73548 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.367 COC(=O)c1cc(c(nc1)N)Br AB25976 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.367 COC(=O)c1cc(c(nc1)N)Cl AB66518 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.367 COC(=O)c1cc(c(nc1)N)F AB73570 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.367 COC(=O)c1cc(c(nc1)N)N AB64509 [0,2,0,0,0,0|0,0,0]=2 697 B12R1.367 COC(=O)c1cc(c(nc1)N)O AB73573 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.367 COC(=O)c1cc(c(nc1)O)N AB63058 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.367 COC(=O)c1cc(c(nc1)O)O PB37505 [0,2,0,0,0,0|0,0,0]=2 700 B12R1.367 COC(=O)c1ccc(c(c1)Br)F AB21248 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CB10400 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl AB15542 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.367 COC(=O)c1ccc(c(c1)O)Br AB43030 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl AB64117 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.367 COC(=O)c1ccc(c(n1)N)Cl AB73568 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.367 COC(=O)c1ccc(c(n1)N)N AB60256 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.367 COC(=O)c1ccc(c(n1)O)O PB20416 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.367 COC(=O)c1cnc(c(n1)Br)N PB34445 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.367 COC(=O)c1cnc(c(n1)I)N PB33717 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.367 Cc1cc(cnc1N)C(=O)OC AB66393 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.367 Cc1cc(ncc1Br)C(=O)OC AB41177 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.367 Cc1cc(ncc1Cl)C(=O)OC AB72092 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.367 Cc1cc(ncc1N)C(=O)OC PB11380 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.367 Cc1ccc(cc1F)C(=O)OC AB23209 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.367 Cc1ccc(cc1O)C(=O)NC AB63536 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.367 Cc1ccc(cc1O)C(=O)OC AB04849 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.367 Cc1ccc(nc1N)C(=O)OC AB73564 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.367 Cc1cnc(cc1N)C(=O)OC AB73592 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,2,0,0,0,0|0,0,1]=3 721 B12R1.367 Cn1ccc(cc1=O)C(=O)OC PB27549 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.1703 COC(=O)c1c(cc(nn1)Cl)Cl AB55529 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl AB55524 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)N AB62862 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.1703 COC(=O)c1c(nc(cn1)N)N AB64401 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.1703 COC(=O)c1c(nc(cn1)O)N AB64394 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [0,2,0,0,0,0|0,0,0]=2 750 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [0,2,0,0,0,0|0,0,0]=2 751 B12R1.1703 COC(=O)c1cnc(nc1Cl)Cl AB55091 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 COC(=O)c1cnc(nc1N)Cl AB70540 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [0,2,0,0,0,0|0,0,0]=2 754 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.1703 Cc1c(ncc(n1)Br)C(=O)OC AB85711 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.1703 Cc1c(ncc(n1)Cl)C(=O)OC AB85680 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.1703 Cc1cnc(c(n1)Cl)C(=O)OC AB60387 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.1703 Cc1ncc(c(n1)N)C(=O)OC AB76360 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [0,2,0,0,0,0|0,0,1]=3 785 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.225 CN(C)C(=O)c1cc(cnc1)Br MB02048 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.225 CN(C)C(=O)c1cc(cnc1)O MB24547 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.225 CN(C)C(=O)c1cccc(c1)O MB01711 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.225 CN(C)C(=O)c1cncc(n1)Br MB14274 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.354 CCC(=O)c1c(ncc(n1)C)C AB77041 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.354 COC(=O)C1C=C(N=NC1=O)Cl PB30122 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.354 COC(=O)c1c(ncc(n1)Br)Br PB34663 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.354 COC(=O)c1c(ncc(n1)Br)Cl AB72474 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.354 COC(=O)c1c(ncc(n1)Br)N PB33922 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.354 COC(=O)c1c(ncc(n1)Cl)Cl AB60390 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.354 COC(=O)c1c(ncc(n1)Cl)N AB07403 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.354 COC(=O)c1c(ncc(n1)I)N PB10772 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,2,0,0,0,0|0,0,0]=2 823 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,2,0,0,0,0|0,0,0]=2 824 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,2,0,0,0,0|0,0,0]=2 825 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,2,0,0,0,0|0,0,0]=2 826 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.354 COC(=O)c1cc(nnc1Cl)Cl PB33095 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,2,0,0,0,0|0,0,0]=2 830 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,2,0,0,0,0|0,0,0]=2 831 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,2,0,0,0,0|0,0,0]=2 832 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O MB25211 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O MB25212 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.358 CNC(=O)c1cc(cc(c1)F)O MB25196 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.358 CNC(=O)c1cc(cc(c1)I)O MB25199 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.358 CNC(=O)c1cc(cc(c1)O)N MB25164 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.358 COC(=O)c1cc(cc(n1)N)Cl AB63628 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.358 COC(=O)c1cc(cc(n1)O)Cl AB67982 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br PB26605 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.358 COC(=O)c1cc(nc(c1)Br)N AB70507 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.358 Cc1cc(cc(c1)O)C(=O)NC MB25126 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.358 Cc1cc(cc(n1)C(=O)OC)O AB66880 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC AB17061 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.358 Cc1cc(cc(n1)O)C(=O)OC AB66882 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.358 Cc1cc(nc(c1)O)C(=O)OC AB67825 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.435 COC(=N)c1cccc(c1)CBr AB70364 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.435 COC(=O)c1cc(ccn1)C#C AB69039 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.435 COC(=O)c1cc(ccn1)CBr AB31491 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.435 COC(=O)c1cc(cnc1)C#N AB31365 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.435 COC(=O)c1cc(cnc1)CBr CB11445 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.435 COC(=O)c1cc(cnc1)CCl AB60042 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.435 COC(=O)c1cccc(c1)C#C AB48503 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.435 COC(=O)c1cccc(n1)C#N AB31417 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.435 COC(=O)c1cccc(n1)C=O AB31420 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.435 COC(=O)c1cccc(n1)CBr AB13868 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.435 COC(=O)c1cccc(n1)CCl AB55277 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.435 COC(=O)c1cccc(n1)CN AB49256 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.435 COC(=O)c1cccc(n1)CO AB16738 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.435 COC(=O)c1ccnc(c1)C#N AB31346 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.435 COC(=O)c1ccnc(c1)CBr CB11443 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.435 COc1cc(ccn1)C(=O)OC PB23599 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.435 COc1cc(cnc1)C(=O)CBr AB68689 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.435 COc1cc(cnc1)C(=O)OC PB10663 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.435 COc1cccc(c1)C(=N)OC AB60958 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.435 COc1cccc(n1)C(=O)OC AB42523 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.435 COc1ccnc(c1)C(=O)OC AB07787 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.435 COc1cncc(n1)C(=O)OC AB11670 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.564 c1cc(cnc1)C(=O)C(F)(F)F AB07257 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.3441 COC(=O)c1c(cccc1Br)Cl MB02960 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.3441 COC(=O)c1c(cccc1F)N MB02037 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [0,2,0,0,0,0|0,0,0]=2 900 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [0,2,0,0,0,0|0,0,0]=2 902 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.3441 Cc1cn[nH]c(=O)c1C(=O)OC PB35705 [0,2,0,0,0,0|1,0,1]=4 905 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,1,1,0,0|2,0,0]=4 906 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,1,0,0|2,0,0]=4 907 B10R1.20 COc1ccncc1C=O AB17569 [0,0,1,1,0,0|2,0,0]=4 908 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,0,1,1,0,0|1,0,1]=4 909 B10R1.172 COc1ccnc(c1)C=O AB43663 [0,0,1,1,0,0|2,0,0]=4 910 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|1,0,1]=4 911 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,1,0,0|2,0,0]=4 912 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|1,0,1]=4 913 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|1,0,1]=4 914 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,1,1,0|1,0,1]=4 915 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,1,0,1|2,0,0]=4 916 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|1,0,0]=3 917 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,1|2,0,0]=4 918 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|2,0,0]=4 919 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,0,1|1,0,0]=3 920 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,1|1,0,0]=3 921 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,0,0,1,0,1|2,0,0]=4 922 B12R2.116 c1cc(cnc1)C2(COC2)N AB82488 [0,1,0,1,0,0|1,0,1]=4 923 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.1081 c1c2c(ncn1)CCNC2=O AB77289 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.1081 c1cc2c(=O)[nH]cnc2nc1 PB19911 [0,1,0,1,0,0|1,0,1]=4 926 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [0,1,0,1,0,0|1,0,1]=4 927 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,1,0,0|1,0,0]=3 930 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|1,0,0]=3 931 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|1,0,0]=3 935 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,1,0,1,0,0|1,0,0]=3 938 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,1,0,1,0,0|1,0,0]=3 939 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,1,0,0|1,0,0]=3 940 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.2028 Cn1c2c(cccn2)c(n1)Br MB10659 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.2028 Cn1c2c(cccn2)c(n1)I MB05710 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.2028 Cn1c2c(cccn2)c(n1)N PB24862 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.2028 Cn1cc(c2c1nccc2)Br AB51141 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O AB01342 [0,1,0,1,0,0|1,0,1]=4 946 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,1,0,0|0,0,1]=3 947 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|2,0,0]=4 950 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,1,0,1,0,0|0,0,1]=3 951 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,1,0,1,0,0|0,0,0]=2 953 B12R2.612 Cc1cc2c(cn1)C(=O)NC2 AB76264 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.612 c1c2c(cnc1Br)C(=O)NC2 AB77325 [0,1,0,1,0,0|1,0,0]=3 957 B12R2.612 c1c2c(cnc1Cl)C(=O)NC2 AB77327 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,1,0,1,0,0|0,0,0]=2 959 B12R2.612 c1c2c(nc(n1)Cl)CNC2=O AB77298 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,1,0,0|1,0,0]=3 973 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,1,0,0|1,0,0]=3 977 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|2,0,0]=4 978 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,1,0,0|2,0,0]=4 983 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|2,0,0]=4 985 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,1,0|1,0,1]=4 999 B8R1.7 C1=NN=CC1C(=O)O PB30547 [1,0,0,0,1,0|1,0,1]=4 1000 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,1,0|0,0,1]=3 1001 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [1,0,0,0,1,0|1,0,1]=4 1002 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [1,0,0,0,1,0|1,0,1]=4 1003 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,1,0|0,0,1]=3 1004 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,1,0|1,0,0]=3 1005 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,1,0|1,0,0]=3 1006 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,1,0|1,0,0]=3 1007 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [1,0,0,0,1,0|2,0,0]=4 1008 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [1,0,0,0,1,0|2,0,0]=4 1009 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,1,0|1,0,0]=3 1010 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,1,0|1,0,0]=3 1011 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,1,0|1,0,0]=3 1012 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,1,0|1,0,1]=4 1013 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,1,0|2,0,0]=4 1014 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,1,0|1,0,0]=3 1015 B8R1.7 c1c(non1)C(=O)O AB06534 [1,0,0,0,1,0|2,0,0]=4 1016 B8R1.7 c1c(nsn1)C(=O)O AB09086 [1,0,0,0,1,0|2,0,0]=4 1017 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,0,0,0,1,0|2,0,0]=4 1018 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,1,0|1,0,0]=3 1019 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,1,0|1,0,0]=3 1020 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,1,0|1,0,0]=3 1021 B8R1.7 c1coc(n1)C(=O)N AB19289 [1,0,0,0,1,0|2,0,0]=4 1022 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,1,0|1,0,0]=3 1023 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,1,0|1,0,0]=3 1024 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,1,0|1,0,0]=3 1025 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,1,0|1,0,0]=3 1026 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,1,0|1,0,0]=3 1027 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,1,0|1,0,0]=3 1028 B8R1.7 c1nnc(o1)C(=O)O AB57583 [1,0,0,0,1,0|2,0,0]=4 1029 B8R1.8 COCc1[nH]ccn1 PB20902 [1,0,0,0,1,0|1,0,1]=4