0 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.308 CCOC(=O)c1c(cncn1)Br AB71475 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.308 CCOC(=O)c1c(cncn1)Cl AB63706 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.308 CCOC(=O)c1c(cncn1)N AB71473 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.308 CCOC(=O)c1c(ncnn1)C AB72453 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.308 CCOC(=O)c1c(ncnn1)Cl AB72452 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.308 CCOC(=O)c1c(nncn1)Cl AB72426 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.308 CCOC(=O)c1cncnc1Cl AB32643 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br AB11732 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I AB18121 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.222 COC(=O)c1cncnc1N AB70459 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,0,0,0,0,0|2,0,1]=4 69 B13R1.12 CCOC(=O)c1c(c(ncn1)C)Br AB85273 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)Br PB21455 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)N AB85265 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.12 CCOC(=O)c1cccc(c1Cl)F MB08447 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.12 CCOC(=O)c1cccc(c1I)Cl AB69241 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.12 CCOC(=O)c1ccnc(c1C)C AB63644 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.446 CCOC(=O)c1c(ccc(n1)Br)N AB64492 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.446 CCOC(=O)c1c(ccc(n1)C)N PB24389 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.446 CCOC(=O)c1c(ccc(n1)Cl)N AB51411 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.446 CCOC(=O)c1c(cnc(n1)C)Br AB66447 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.446 CCOC(=O)c1c(cnc(n1)C)Cl AB71474 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.446 CCOC(=O)c1c(cnc(n1)C)N AB85264 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.446 CCOC(=O)c1c(cnc(n1)Cl)Br AB85260 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.446 CCOC(=O)c1c(ncc(n1)Br)N AB70536 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.446 CCOC(=O)c1c(ncc(n1)C)C AB77039 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.446 CCOC(=O)c1c(ncc(n1)Cl)N AB71825 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.446 CCOC(=O)c1cc(ccc1N)F AB62852 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.446 CCOC(=O)c1cc(ccc1N)O MB09082 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.446 CCOC(=O)c1cc(ccc1O)N MB09086 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.446 CCOC(=O)c1cc(cnc1C)Br PB25303 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.446 CCOC(=O)c1cc(cnc1C)C AB70789 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.446 CCOC(=O)c1cc(cnc1C)Cl AB62423 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.446 CCOC(=O)c1cc(cnc1C)F AB66450 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.446 CCOC(=O)c1cc(cnc1C)N AB54774 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.446 CCOC(=O)c1cc(cnc1Cl)F PB34093 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.446 CCOC(=O)c1cc(cnc1N)C AB71290 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.446 CCOC(=O)c1cc(cnc1O)C AB71292 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.446 CCOC(=O)c1cc(nnc1Cl)Cl AB48559 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.464 CCOC(=N)c1ccccc1C#N AB44620 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.464 CCOC(=O)c1c(cccn1)C#N AB31814 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.464 CCOC(=O)c1c(cccn1)CCl AB60067 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.464 CCOC(=O)c1cccnc1C#N AB31816 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.464 CCOC(=O)c1cccnc1CBr MB09775 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.464 CCOC(=O)c1cccnc1CBr MB09844 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.464 CCOC(=O)c1cccnc1CCl AB60060 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.464 CCOC(=O)c1ccncc1CCl AB60086 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.464 CCOC(=O)c1cnccc1C#N AB76338 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.464 COc1ccccc1C(=O)CC#N AB10610 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.674 Cc1ccccc1C(=O)CCCCl AB16779 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.696 Cc1ccccc1C(=O)C(=O)OC CB10469 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.1511 CCOC(=O)c1c(cc(cn1)N)Cl AB73531 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.1511 CCOC(=O)c1c(nc(cn1)C)O AB48563 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.1511 CCOC(=O)c1c(nc(cn1)Cl)Cl AB70726 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.1511 CCOC(=O)c1c(nc(cn1)Cl)N AB85378 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.1511 CCOC(=O)c1c(nc(nn1)C)O AB48549 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl MB02655 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.1511 CCOC(=O)c1ccc(cc1F)N MB06864 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.1511 CCOC(=O)c1ccc(cc1N)F AB44538 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.1511 CCOC(=O)c1ccc(nc1C)Br AB69337 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.1511 CCOC(=O)c1ccc(nc1C)C AB13966 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl AB64413 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.1511 CCOC(=O)c1ccc(nc1C)O AB55501 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.1511 CCOC(=O)c1ccc(nc1O)C AB06111 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl AB05228 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.1511 CCOC(=O)c1cnc(cc1N)Br AB72391 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.1511 CCOC(=O)c1cnc(cc1O)O AB07410 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.1511 CCOC(=O)c1cnc(nc1C)O AB10488 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)C PB31058 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl PB28096 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.1511 CCOC(=O)c1cnc(nc1N)N AB21343 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.1511 CCOC(=O)c1cnc(nc1O)C AB04978 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.4453 CCOC(=O)c1c(cccc1Br)C MB09088 [0,1,0,0,0,0|1,0,0]=2 131 B13R1.4453 CCOC(=O)c1c(cccc1Cl)F MB03694 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.4453 CCOC(=O)c1c(cccc1Cl)N AB44536 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.4453 CCOC(=O)c1c(nccc1Br)C AB71924 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.4453 CCOC(=O)c1c(nccc1F)C AB71922 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.4453 CCOC(=O)c1c(ncnc1C)C AB43128 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.1 c1ccc2c(c1)c(no2)CCO AB44138 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.4818 Cc1cccc2c1C(=O)CCN2 AB60322 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.4818 c1cc2c(c(c1)Br)C(=O)NCC2 AB65453 [0,0,0,1,0,0|2,0,0]=3 139 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCC2 CB10954 [0,0,0,1,0,0|2,0,0]=3 140 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCN2 AB60319 [0,0,0,1,0,0|3,0,0]=4 141 B13R2.4818 c1cc2c(c(c1)N)C(=O)CCC2 MB05386 [0,0,0,1,0,0|2,0,0]=3 142 B13R2.4818 c1cc2c(c(c1)N)C(=O)NCC2 AB73861 [0,0,0,1,0,0|2,0,0]=3 143 B13R2.4818 c1cnc(c2c1CCNC2=O)Br AB77265 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.4818 c1cnc(c2c1CCNC2=O)Cl AB76695 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,0,0,1,0,0|2,0,0]=3 146 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,0,0,1,0,0|2,0,0]=3 147 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,0,1,0,0|1,0,0]=2 148 B11R1.199 CCOC(=O)C1=C(N=CC1)N AB55414 [0,0,0,0,1,0|2,0,1]=4 149 B11R1.199 CCOC(=O)C1=NC=CC1C PB29131 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.199 CCOC(=O)C1=NC=CC1F PB32900 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.199 CCOC(=O)C1=NC=CC1N PB10388 [0,0,0,0,1,0|2,0,1]=4 152 B11R1.199 CCOC(=O)c1c(cco1)N AB55412 [0,0,0,0,1,0|2,0,0]=3 153 B11R1.199 CCOC(=O)c1c(ccs1)Br MB03699 [0,0,0,0,1,0|2,0,0]=3 154 B11R1.199 CCOC(=O)c1c(ccs1)N AB55410 [0,0,0,0,1,0|2,0,0]=3 155 B11R1.199 CCOC(=O)c1c(nco1)C AB02449 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.199 CCOC(=O)c1c(ocn1)C AB03428 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.199 CCOC(=O)c1c(scn1)N AB52764 [0,0,0,0,1,0|3,0,0]=4 158 B11R1.199 CCOC(=O)c1ccsc1C AB70575 [0,0,0,0,1,0|2,0,0]=3 159 B11R1.199 CCOC(=O)c1ccsc1N AB09218 [0,0,0,0,1,0|2,0,0]=3 160 B11R1.199 CCOC(=O)c1cncn1C AB23239 [0,0,0,0,1,0|3,0,0]=4 161 B11R1.199 CCOC(=O)c1conc1C AB08180 [0,0,0,0,1,0|3,0,0]=4 162 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [0,0,0,0,0,1|2,0,0]=3 164 B13R1.470 CCOC(=O)Cc1c(nccn1)Cl AB70725 [0,0,0,0,0,1|3,0,0]=4 165 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [0,0,0,0,0,1|1,0,0]=2 166 B13R1.470 CCOC(=O)Cc1ccccc1N AB06648 [0,0,0,0,0,1|1,0,0]=2 167 B13R1.470 CCOC(=O)Cc1ccccc1N AB26285 [0,0,0,0,0,1|1,0,0]=2 168 B13R1.470 CCOC(=O)Cc1cccnc1Cl PB27136 [0,0,0,0,0,1|2,0,0]=3 169 B13R1.470 CCOC(=O)Cc1ccncc1N AB64424 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.15 CCC(=O)c1ccccn1 AB01373 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.15 CCC(=O)c1cnccn1 PB23991 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.15 COC(=O)c1cccnn1 PB28168 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.15 COC(=O)c1ccncn1 PB15680 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.15 COC(=O)c1ccnnc1 PB31452 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.15 COC(=O)c1cncnc1 PB15822 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.15 COC(=O)c1ncccn1 PB20045 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.15 c1cnccc1C(=O)CBr AB12154 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.4 CCOc1c(cccn1)Br AB05207 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.4 CCOc1c(cccn1)I AB05213 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.4 CCOc1ccncc1Br MB01009 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.61 B(c1ccccc1O)(O)O AB08053 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.61 CC(=O)c1cccnc1Br AB18171 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.61 CC(=O)c1cccnc1F AB41104 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.61 CC(=O)c1cccnc1N AB11689 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.61 CC(=O)c1ccncc1Br PB12099 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.61 CC(=O)c1ccncc1F PB22036 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.61 CC(=O)c1ccncc1N AB41121 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.61 CC(=O)c1cnccc1Br AB64732 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.61 CC(=O)c1cnccc1F AB41107 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.61 CN(C)c1ccccc1O MB08302 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.61 Cc1cccnc1C(=O)O PB10121 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.61 Cc1ccncc1C(=O)C AB45306 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.61 Cc1ccncc1C(=O)O PB17119 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.61 Cc1cnccc1C(=O)O PB12103 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [2,0,0,0,0,0|2,0,0]=4 236 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.17 CCOC(=O)c1cc(ncn1)Cl PB19299 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.17 CCOC(=O)c1cc(ncn1)O AB63705 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.17 CCOC(=O)c1ccnc(n1)C AB62976 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.17 CCOC(=O)c1ccnc(n1)Cl AB44774 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.17 CCOC(=O)c1ccnc(n1)N AB76641 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.17 CCOC(=O)c1ccnc(n1)O AB44770 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.17 CCOC(=O)c1nccc(n1)C AB69279 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.17 CCOC(=O)c1nccc(n1)Cl AB59517 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.77 COc1ccccc1C(=N)OC AB60967 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.124 CN(C)C(=O)c1c(cccn1)O MB12021 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.124 CN(C)C(=O)c1ccncc1O MB24543 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F AB20618 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.3441 COC(=O)c1c(cccc1Br)Cl MB02960 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.3441 COC(=O)c1c(cccc1F)N MB02037 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [1,1,0,0,0,0|0,0,0]=2 381 B12R1.313 CCOC(=O)c1c(cc(o1)Br)I AB69257 [0,1,0,0,1,0|2,0,0]=4 382 B12R1.313 CCOC(=O)c1cc(cn1C)Br AB57057 [0,1,0,0,1,0|2,0,0]=4 383 B12R1.313 CCOC(=O)c1cc(cn1C)F AB68757 [0,1,0,0,1,0|2,0,0]=4 384 B12R1.313 CCOC(=O)c1cc(oc1C)C AB04948 [0,1,0,0,1,0|2,0,0]=4 385 B12R1.313 CCOC(=O)c1cc(sc1N)Br AB44727 [0,1,0,0,1,0|2,0,0]=4 386 B12R1.313 CCOC(=O)c1cc(sc1N)C AB10511 [0,1,0,0,1,0|2,0,0]=4 387 B12R1.1579 CCOC(=O)c1c(c(cs1)C)N MB69295 [0,1,0,0,1,0|2,0,0]=4 388 B14R1.17 CCOC(=O)Cc1c(c(ccn1)C)C AB82517 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.17 CCOC(=O)Cc1c(c(ccn1)C)Cl AB75777 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.17 CCOC(=O)Cc1c(c(ccn1)Cl)C AB75789 [0,1,0,0,0,1|2,0,0]=4 391 B14R1.17 CCOC(=O)Cc1c(c(ccn1)Cl)F AB83142 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.17 CCOC(=O)Cc1c(c(ccn1)Cl)N AB83873 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.17 CCOC(=O)Cc1c(c(ccn1)Cl)O AB83990 [0,1,0,0,0,1|1,0,0]=3 394 B14R1.17 CCOC(=O)Cc1c(c(ccn1)F)C AB82934 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.17 CCOC(=O)Cc1c(c(ccn1)F)Cl AB83013 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.17 CCOC(=O)Cc1c(c(ccn1)O)Cl AB84062 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.17 CCOC(=O)Cc1cc[nH]c(=O)c1N AB53455 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.17 CCOC(=O)Cc1ccnc(c1C)C AB82528 [0,1,0,0,0,1|2,0,0]=4 399 B14R1.17 CCOC(=O)Cc1ccnc(c1C)Cl AB75763 [0,1,0,0,0,1|2,0,0]=4 400 B14R1.17 CCOC(=O)Cc1ccnc(c1C)F AB82862 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.17 CCOC(=O)Cc1ccnc(c1Cl)C AB75771 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.17 CCOC(=O)Cc1ccnc(c1Cl)F AB83168 [0,1,0,0,0,1|2,0,0]=4 403 B14R1.17 CCOC(=O)Cc1ccnc(c1Cl)N AB83945 [0,1,0,0,0,1|2,0,0]=4 404 B14R1.17 CCOC(=O)Cc1ccnc(c1F)Cl AB83225 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.17 CCOC(=O)Cc1ccnc(c1N)Cl AB83980 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.17 CCOC(=O)Cc1ccnc(c1N)O AB63613 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.17 CCOC(=O)Cc1ccnc(c1O)Cl AB84117 [0,1,0,0,0,1|1,0,0]=3 408 B14R1.17 CCOC(=O)Cc1cncc(c1C)C AB82562 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.17 CCOC(=O)Cc1cncc(c1C)Cl AB75801 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.17 CCOC(=O)Cc1cncc(c1Cl)C AB75793 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.17 CCOC(=O)Cc1cncc(c1Cl)F AB83154 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.17 CCOC(=O)Cc1cncc(c1Cl)N AB83887 [0,1,0,0,0,1|2,0,0]=4 413 B14R1.17 CCOC(=O)Cc1cncc(c1Cl)O AB84004 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.17 CCOC(=O)Cc1cncc(c1F)C AB82949 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.17 CCOC(=O)Cc1cncc(c1F)Cl AB82980 [0,1,0,0,0,1|2,0,0]=4 416 B14R1.17 CCOC(=O)Cc1cncc(c1N)Cl AB83906 [0,1,0,0,0,1|2,0,0]=4 417 B14R1.17 CCOC(=O)Cc1cncc(c1O)Cl AB84039 [0,1,0,0,0,1|1,0,0]=3 418 B14R1.950 CCOC(=O)Cc1c(ccc(n1)C)C AB82539 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.950 CCOC(=O)Cc1c(ccc(n1)Cl)C AB75803 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.950 CCOC(=O)Cc1c(ccc(n1)Cl)F AB83110 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.950 CCOC(=O)Cc1c(ccc(n1)F)C AB82896 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.950 CCOC(=O)Cc1cc(cnc1C)C AB82547 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.950 CCOC(=O)Cc1cc(cnc1Cl)C AB75769 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.950 CCOC(=O)Cc1cc(cnc1Cl)F AB83114 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.950 CCOC(=O)Cc1cc(cnc1F)C AB65136 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.950 CCOC(=O)Cc1cc(ncc1C)C AB82535 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.950 CCOC(=O)Cc1cc(ncc1C)Cl AB75770 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.950 CCOC(=O)Cc1cc(ncc1C)F AB82877 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.950 CCOC(=O)Cc1cc(ncc1F)Cl AB83100 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.965 CCOC(=O)Cc1ccccc1OC AB50411 [0,1,0,0,0,1|0,0,0]=2 431 B14R1.3348 CCOC(=O)C(=O)c1ccccc1F CB11285 [0,1,0,0,0,1|1,0,0]=3 432 B14R1.3348 CCOC(=O)C(c1c(cccn1)C)N AB21632 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)C)C AB82515 [0,1,0,0,0,1|2,0,0]=4 434 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)C)Cl AB75780 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)C)F AB82910 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)Cl)C AB75797 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)Cl)F AB76354 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)F)C AB82907 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.6823 CCOC(=O)Cc1c(cc(cn1)F)Cl AB83126 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.6823 CCOC(=O)Cc1cnc(cc1C)C AB82581 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.6823 CCOC(=O)Cc1cnc(cc1C)Cl AB75766 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.6823 CCOC(=O)Cc1cnc(cc1C)F AB83073 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.6823 CCOC(=O)Cc1cnc(cc1Cl)C AB75786 [0,1,0,0,0,1|2,0,0]=4 444 B14R1.6823 CCOC(=O)Cc1cnc(cc1Cl)F AB83196 [0,1,0,0,0,1|2,0,0]=4 445 B14R1.6823 CCOC(=O)Cc1cnc(cc1F)C AB83053 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.6823 CCOC(=O)Nc1ccc(cc1F)Cl AB14010 [0,1,0,0,0,1|1,0,0]=3 447 B14R1.19171 CCOC(=O)Cc1c(ccnc1C)C AB82611 [0,1,0,0,0,1|2,0,0]=4 448 B14R1.19171 CCOC(=O)Cc1c(ccnc1Cl)C AB75765 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.19171 CCOC(=O)Cc1c(ccnc1F)C AB83063 [0,1,0,0,0,1|2,0,0]=4 450 B14R1.19171 CCOC(=O)Cc1c(ccnc1F)Cl AB83208 [0,1,0,0,0,1|2,0,0]=4 451 B14R1.19171 CCOC(=O)Cc1c(cncc1C)C AB82555 [0,1,0,0,0,1|2,0,0]=4 452 B14R1.19171 CCOC(=O)Cc1c(cncc1Cl)C AB75782 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.19171 CCOC(=O)Cc1c(cncc1Cl)F AB83133 [0,1,0,0,0,1|2,0,0]=4 454 B14R1.19171 CCOC(=O)Cc1c(cncc1F)C AB82921 [0,1,0,0,0,1|2,0,0]=4 455 B14R1.19171 CCOC(=O)Cc1c(nccc1Cl)C AB75784 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.19171 CCOC(=O)Cc1c(nccc1F)C AB83025 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.7265 CCOC(=O)c1ccc(c(c1F)C)F MB09080 [0,2,0,0,0,0|1,0,0]=3 458 B14R1.7265 CCOC(=O)c1ccc(c(c1O)F)F MB09076 [0,2,0,0,0,0|0,0,0]=2 459 B14R1.7281 CCOC(=O)c1c(cc[n+](c1C)[O-])C AB21131 [0,2,0,0,0,0|2,0,0]=4 460 B14R1.18985 CCOC(=O)c1c(c(cc(n1)C)C)N AB77038 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.4451 CC(C)(C)OC(=O)c1ccccc1Br AB01484 [0,2,0,0,0,0|1,0,0]=3 462 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1Br AB31411 [0,2,0,0,0,0|2,0,0]=4 463 B14R1.6048 CC(C)OC(=O)c1c(cc(cn1)Br)N PB22882 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.599 CCOC(=O)c1c(ncc(n1)Cl)OC AB76923 [0,2,0,0,0,0|2,0,0]=4 465 B14R1.599 CCOC(=O)c1cc(cnc1OC)C AB71293 [0,2,0,0,0,0|1,0,0]=3 466 B14R1.601 CCOC(=O)c1c(ccc(n1)OC)N AB75477 [0,2,0,0,0,0|2,0,0]=4 467 B14R1.601 CCOC(=O)c1cc(ccc1Br)OC MB03702 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.601 CCOC(=O)c1cc(ccc1N)OC AB63623 [0,2,0,0,0,0|1,0,0]=3 469 B14R1.601 CCc1cc(c(nc1)Cl)C(=O)OCC AB13899 [0,2,0,0,0,0|2,0,0]=4 470 B14R1.7264 CCOC(=O)c1c(cc(c(n1)I)N)Cl AB71427 [0,2,0,0,0,0|2,0,0]=4 471 B14R1.7264 CCOC(=O)c1cc(c(nc1C)C)Br AB69211 [0,2,0,0,0,0|2,0,0]=4 472 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O AB11161 [0,2,0,0,0,0|0,0,0]=2 473 B14R1.623 CCOC(=O)c1cccnc1C(=O)O AB31822 [0,2,0,0,0,0|1,0,0]=3 474 B14R1.7233 CCOC(=O)c1ccc(cc1OC)Br MB09075 [0,2,0,0,0,0|0,0,0]=2 475 B14R1.160 CC(=O)ONC(=O)c1ccccc1O AB22745 [0,2,0,0,0,0|0,0,1]=3 476 B14R1.7234 CCOC(=O)c1c(cc(cn1)OC)N AB77165 [0,2,0,0,0,0|2,0,0]=4 477 B14R1.7234 CCOC(=O)c1cnc(nc1O)CN AB63380 [0,2,0,0,0,0|2,0,0]=4 478 B14R1.18811 CCOC(=O)c1c(cc(cc1C)Cl)C MB09094 [0,2,0,0,0,0|1,0,0]=3 479 B14R1.18811 CCOC(=O)c1c(cc(nc1Cl)C)Cl PB17134 [0,2,0,0,0,0|2,0,0]=4 480 B14R1.18811 CCOC(=O)c1c(cc(nc1O)C)O AB12740 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,0,1,1,0,0|1,0,1]=4 482 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [0,0,1,1,0,0|2,0,0]=4 483 B12R1.55 CCOC(=O)C(=O)c1cccs1 PB14078 [0,0,1,1,0,0|1,1,0]=4 484 B12R1.312 CCOC(=O)c1coc(n1)C=O AB76348 [0,0,1,1,0,0|2,0,0]=4 485 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|1,0,1]=4 486 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [1,0,0,1,0,0|2,0,0]=4 487 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [1,0,0,1,0,0|2,0,0]=4 488 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [1,0,0,1,0,0|2,0,0]=4 489 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [1,0,0,1,0,0|2,0,0]=4 490 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [1,0,0,1,0,0|2,0,0]=4 491 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [1,0,0,1,0,0|2,0,0]=4 492 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [1,0,0,1,0,0|1,0,0]=3 493 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [1,0,0,1,0,0|0,0,0]=2 494 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [1,0,0,1,0,0|2,0,0]=4 495 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [1,0,0,1,0,0|2,0,0]=4 497 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [1,0,0,1,0,0|2,0,0]=4 498 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [1,0,0,1,0,0|2,0,0]=4 499 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [1,0,0,1,0,0|2,0,0]=4 500 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [1,0,0,1,0,0|2,0,0]=4 501 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [1,0,0,1,0,0|2,0,0]=4 502 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [1,0,0,1,0,0|2,0,0]=4 503 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [1,0,0,1,0,0|2,0,0]=4 504 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [1,0,0,1,0,0|2,0,0]=4 505 B12R2.24 CC1CNc2ccccc2O1 AB30912 [1,0,0,1,0,0|2,0,0]=4 506 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [1,0,0,1,0,0|1,0,1]=4 507 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [1,0,0,1,0,0|2,0,0]=4 508 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [1,0,0,1,0,0|2,0,0]=4 509 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [1,0,0,1,0,0|2,0,0]=4 510 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [1,0,0,1,0,0|2,0,0]=4 511 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [1,0,0,1,0,0|2,0,0]=4 512 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [1,0,0,1,0,0|1,0,0]=3 514 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [1,0,0,1,0,0|2,0,0]=4 515 B14R2.391 c1ccc2c(c1)CCCCC(=O)N2 AB01426 [0,0,0,1,0,1|2,0,0]=4 516 B14R2.28523 c1cc(c(c2c1CCCC2=O)N)Br MB13720 [0,1,0,1,0,0|2,0,0]=4 517 B14R2.11635 COc1cccc2c1C(=O)CCC2 CB10512 [0,1,0,1,0,0|1,0,0]=3 518 B14R2.11635 COc1cccc2c1C(=O)CCN2 AB11870 [0,1,0,1,0,0|2,0,0]=4 519 B14R2.29496 CC1(CC(=O)c2ccccc2O1)C AB32438 [0,1,0,1,0,0|1,0,0]=3 520 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C AB07062 [0,1,0,1,0,0|1,0,0]=3 521 B14R2.1060 CCN1Cc2ccc(cc2C1=O)N PB22913 [0,1,0,1,0,0|2,0,0]=4 522 B14R2.5637 Cc1ccc2c(c1)C(=O)CCCN2 AB39604 [0,1,0,1,0,0|2,0,0]=4 523 B14R2.5637 c1cc2c(cc1Br)C(=O)CCCN2 AB10949 [0,1,0,1,0,0|2,0,0]=4 524 B14R2.5637 c1cc2c(cc1Cl)C(=NCCO2)O AB53014 [0,1,0,1,0,0|1,0,1]=4 525 B14R2.5637 c1cc2c(cc1Cl)C(=O)CCCN2 PB18744 [0,1,0,1,0,0|2,0,0]=4 526 B14R2.5637 c1cc2c(cc1F)C(=NCCO2)O AB53006 [0,1,0,1,0,0|1,0,1]=4 527 B14R2.5637 c1cc2c(cc1F)C(=O)CCCN2 AB39602 [0,1,0,1,0,0|2,0,0]=4 528 B14R2.1019 c1ccc2c(c1)CC(NC2=O)CF AB52935 [0,1,0,1,0,0|2,0,0]=4 529 B14R2.1095 CCN1Cc2cc(ccc2C1=O)N PB28718 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [1,0,0,0,1,0|2,0,0]=4 531 B10R1.11 CCOC(=O)c1ccon1 PB14547 [1,0,0,0,1,0|2,0,0]=4 532 B10R1.11 CCOC(=O)c1cnco1 AB19292 [1,0,0,0,1,0|2,0,0]=4 533 B10R1.11 CCOC(=O)c1cncs1 PB17345 [1,0,0,0,1,0|2,0,0]=4 534 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [1,0,0,0,1,0|2,0,0]=4 535 B10R1.11 CCOC(=O)c1cocn1 PB21846 [1,0,0,0,1,0|2,0,0]=4 536 B10R1.11 CCOC(=O)c1cscn1 AB16049 [1,0,0,0,1,0|2,0,0]=4 537 B10R1.11 CCOC(=O)c1ncco1 AB19317 [1,0,0,0,1,0|2,0,0]=4 538 B10R1.11 CCOC(=O)c1nccs1 AB23232 [1,0,0,0,1,0|2,0,0]=4 539 B10R1.149 COC(=O)c1c(cco1)N PB25248 [1,0,0,0,1,0|2,0,0]=4 540 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [1,0,0,0,1,0|2,0,0]=4 541 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [1,0,0,0,1,0|2,0,0]=4 542 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [1,0,0,0,1,0|2,0,0]=4 543 B10R1.149 COC(=O)c1ccsc1N PB30611 [1,0,0,0,1,0|2,0,0]=4 544 B10R1.149 Cn1cccc1C(=O)OC CB10178 [1,0,0,0,1,0|2,0,0]=4 545 B14R1.598 CCOC(=O)\C=C\c1cccnc1Cl AB21815 [0,0,0,0,0,2|2,0,0]=4