0 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,0,0,0|1,0,3]=4 2 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,0,0,0,0|1,0,3]=4 3 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,0,0,0|1,0,3]=4 4 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,0,0,0,0,0|2,0,2]=4 6 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,0,0,0,0,0|2,0,2]=4 7 B11R2.20 c1cc2cccnc2nc1 AB02373 [0,0,0,0,0,0|1,0,0]=1 8 B11R2.20 c1cc2cnccc2nc1 AB02371 [0,0,0,0,0,0|1,0,0]=1 9 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,0,0,0|1,0,3]=4 11 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [0,1,0,0,0,0|1,0,0]=2 12 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [0,1,0,0,0,0|1,0,0]=2 13 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,1,0,0,0,0|1,0,0]=2 14 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [0,1,0,0,0,0|2,0,0]=3 15 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [0,1,0,0,0,0|1,0,0]=2 22 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [0,1,0,0,0,0|1,0,0]=2 24 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,0,0,0|1,0,1]=3 26 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [0,1,0,0,0,0|1,0,0]=2 27 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [0,1,0,0,0,0|1,0,0]=2 28 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [0,1,0,0,0,0|1,0,0]=2 29 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [0,1,0,0,0,0|1,0,0]=2 30 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,0,0,0|2,0,1]=4 31 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [0,1,0,0,0,0|1,0,0]=2 32 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [0,1,0,0,0,0|1,0,0]=2 33 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [0,1,0,0,0,0|1,0,0]=2 34 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [0,1,0,0,0,0|1,0,0]=2 35 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [0,1,0,0,0,0|1,0,0]=2 36 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [0,1,0,0,0,0|1,0,0]=2 37 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,1,0,0,0,0|1,0,2]=4 39 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,1,0,0,0,0|0,0,3]=4 40 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,1,0,0,0,0|1,0,2]=4 41 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,1,0,0,0,0|1,0,2]=4 42 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [0,1,0,0,0,0|2,0,0]=3 43 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [0,1,0,0,0,0|0,0,0]=1 44 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [0,1,0,0,0,0|1,0,0]=2 45 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,1,0,0,0,0|1,0,0]=2 46 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [0,1,0,0,0,0|0,0,0]=1 47 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [0,1,0,0,0,0|1,0,0]=2 48 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [0,1,0,0,0,0|1,0,0]=2 49 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [0,1,0,0,0,0|1,0,0]=2 50 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [0,1,0,0,0,0|2,0,0]=3 51 B12R2.24 c1cc2cnccc2cc1Br PB29336 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.24 c1cc2cnccc2cc1F MB09677 [0,1,0,0,0,0|2,0,0]=3 54 B12R2.24 c1cc2cnccc2cc1I MB09307 [0,1,0,0,0,0|2,0,0]=3 55 B12R2.24 c1cc2cnccc2cc1N AB19123 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,1,0,0,0,0|2,0,0]=3 57 B12R2.24 c1cc2cncnc2cc1Br PB23522 [0,1,0,0,0,0|1,0,0]=2 58 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [0,1,0,0,0,0|1,0,0]=2 59 B12R2.24 c1cc2cncnc2cc1N AB60731 [0,1,0,0,0,0|1,0,0]=2 60 B12R2.24 c1cc2cncnc2cc1O AB60737 [0,1,0,0,0,0|1,0,0]=2 61 B12R2.24 c1cc2cnncc2cc1Br PB16069 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,1,0,0,0,0|1,0,2]=4 64 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,1,0,0,0,0|1,0,2]=4 65 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,1,0,0,0,0|1,0,0]=2 66 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,1,0,0,0,0|0,0,0]=1 67 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,1,0,0,0,0|0,0,0]=1 68 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,1,0,0,0,0|0,0,0]=1 69 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,1,0,0,0,0|1,0,0]=2 70 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,1,0,0,0,0|1,0,0]=2 71 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,1,0,0,0,0|1,0,0]=2 72 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,1,0,0,0,0|1,0,0]=2 73 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,1,0,0,0,0|2,0,0]=3 75 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,1,0,0,0,0|2,0,0]=3 77 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,1,0,0,0,0|1,0,1]=3 79 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [0,1,0,0,0,0|2,0,0]=3 80 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [0,1,0,0,0,0|1,0,0]=2 82 B12R2.1081 c1c2c(c(ncn2)Cl)ncn1 AB63437 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.1081 c1c2c(ncnc2ncn1)N AB11621 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.1081 c1cc(c2c(c1)nccn2)N AB09749 [0,1,0,0,0,0|1,0,0]=2 85 B12R2.1081 c1cc(c2cncnc2c1)N AB60734 [0,1,0,0,0,0|1,0,0]=2 86 B12R2.1081 c1cc2c(=O)[nH]cnc2nc1 PB19911 [0,1,0,0,0,0|2,0,0]=3 87 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.1081 c1cc2c(c(ccn2)Br)nc1 MB10238 [0,1,0,0,0,0|1,0,0]=2 89 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [0,1,0,0,0,0|2,0,0]=3 90 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [0,1,0,0,0,0|1,0,0]=2 91 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [0,1,0,0,0,0|0,0,0]=1 92 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [0,1,0,0,0,0|1,0,0]=2 93 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [0,1,0,0,0,0|1,0,0]=2 94 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [0,1,0,0,0,0|1,0,0]=2 95 B12R2.1081 c1cc2c(ccnc2nc1)Br AB64248 [0,1,0,0,0,0|1,0,0]=2 96 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [0,1,0,0,0,0|1,0,0]=2 97 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [0,1,0,0,0,0|1,0,0]=2 98 B12R2.1081 c1cc2c(cncn2)c(c1)Br PB25306 [0,1,0,0,0,0|1,0,0]=2 99 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [0,1,0,0,0,0|1,0,0]=2 100 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,1,0,0,0,0|0,0,3]=4 101 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,1,0,0,0,0|1,0,2]=4 102 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,1,0,0,0,0|1,0,2]=4 103 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,0,0,0|0,0,3]=4 104 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,0,0,0|1,0,2]=4 105 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,0,0,0|1,0,2]=4 106 B12R2.1081 c1cc2c(nc1)ncnc2Cl PB26181 [0,1,0,0,0,0|2,0,0]=3 107 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [0,1,0,0,0,0|1,0,0]=2 108 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [0,1,0,0,0,0|0,0,0]=1 109 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [0,1,0,0,0,0|1,0,0]=2 110 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [0,1,0,0,0,0|1,0,0]=2 111 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [0,1,0,0,0,0|1,0,0]=2 112 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,1,0,0,0,0|2,0,0]=3 114 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [0,1,0,0,0,0|1,0,0]=2 115 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [0,1,0,0,0,0|1,0,0]=2 117 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [0,1,0,0,0,0|1,0,0]=2 118 B12R2.1081 c1cc2cnncc2c(c1)Br MB09752 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.1081 c1cc2cnncc2c(c1)N AB44290 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,0,0,0|0,0,3]=4 121 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,0,0,0|1,0,2]=4 122 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,1,0,0,0,0|1,0,1]=3 123 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,0,0,0|2,0,1]=4 124 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,0,0,0|2,0,1]=4 127 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,1,0,0,0,0|0,0,0]=1 128 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,1,0,0,0,0|0,0,0]=1 129 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,1,0,0,0,0|1,0,0]=2 130 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,1,0,0,0,0|2,0,0]=3 134 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.1081 c1cnc(c2c1nccn2)Cl AB48705 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [0,1,0,0,0,0|2,0,0]=3 142 B12R2.1081 c1cnc2ccncc2c1N AB09610 [0,1,0,0,0,0|1,0,0]=2 143 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [0,1,0,0,0,0|1,0,1]=3 144 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [0,1,0,0,0,0|1,0,0]=2 145 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [0,1,0,0,0,0|2,0,0]=3 147 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,1,0,0,0,0|2,0,0]=3 149 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [0,1,0,0,0,0|1,0,0]=2 150 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.4 Cc1ccccc1CC=O AB11813 [0,0,1,0,0,0|2,0,1]=4 152 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,0,1,0,0,0|3,0,0]=4 155 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,1,0,0,0|1,0,2]=4 156 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,1,0,0,0|1,0,2]=4 157 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,1,0,0,0|1,0,2]=4 158 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,0,1,0,0,0|2,0,1]=4 159 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,1,0,0,0|2,0,1]=4 160 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.20 COc1cccnc1C=O AB22246 [0,0,1,0,0,0|2,0,1]=4 162 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,0,1,0,0,0|2,0,1]=4 163 B10R1.20 c1cc(c(nc1)C#N)C=O AB31409 [0,0,1,0,0,0|2,0,1]=4 164 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [0,0,1,0,0,0|2,0,1]=4 165 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,0,1,0,0,0|2,0,1]=4 166 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,0,1,0,0,0|2,0,1]=4 167 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [0,0,0,0,1,0|1,0,1]=3 168 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [0,0,0,0,1,0|1,0,1]=3 169 B10R2.7 C1C=C2C(=CN=N2)C=N1 PB20648 [0,0,0,0,1,0|2,0,1]=4 170 B10R2.7 C1C=C2C(=NC=N2)C=N1 PB20239 [0,0,0,0,1,0|2,0,1]=4 171 B10R2.7 C1C=C2C=NN=C2C=N1 PB27509 [0,0,0,0,1,0|2,0,1]=4 172 B10R2.7 C1C=CN=C2C1=NC=C2 PB18523 [0,0,0,0,1,0|1,0,1]=3 173 B10R2.7 C1C=CN=C2C1=NN=C2 PB32568 [0,0,0,0,1,0|2,0,1]=4 174 B10R2.7 c1c2=CCN=c2cnn1 MB09338 [0,0,0,0,1,0|2,0,1]=4 175 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [0,0,0,0,1,0|2,0,1]=4 176 B10R2.7 c1c2=NCC=c2ncn1 PB22262 [0,0,0,0,1,0|2,0,1]=4 177 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,0,0,0,1,0|1,0,0]=2 178 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,0,1,0|1,0,0]=2 179 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,0,1,0|1,0,2]=4 180 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,0,1,0|1,0,2]=4 181 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,0,1,0|2,0,0]=3 182 B10R2.7 c1cc2cnccn2c1 CB10529 [0,0,0,0,1,0|2,0,0]=3 183 B10R2.7 c1cc2nccn2nc1 AB42764 [0,0,0,0,1,0|2,0,0]=3 184 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,0,1,0|1,0,2]=4 185 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,0,1,0|1,0,2]=4 186 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [0,0,0,0,1,0|1,0,0]=2 187 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [0,0,0,0,1,0|2,0,0]=3 188 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [0,0,0,0,1,0|2,0,0]=3 189 B10R2.7 c1ccn2cccc2c1 AB01491 [0,0,0,0,1,0|1,0,0]=2 190 B10R2.7 c1ccn2cncc2c1 AB14043 [0,0,0,0,1,0|2,0,0]=3 191 B10R2.7 c1cn2c(cn1)ncn2 AB53018 [0,0,0,0,1,0|3,0,0]=4 192 B10R2.7 c1cn2ccnc2cn1 AB23577 [0,0,0,0,1,0|2,0,0]=3 193 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,0,1,0|2,0,1]=4 194 B10R2.7 c1cnc2ccnn2c1 PB20510 [0,0,0,0,1,0|2,0,0]=3 195 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,0,1,0|1,0,1]=3 196 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,0,1,0|1,0,1]=3 197 B10R2.7 c1cncc2c1ccs2 MB02036 [0,0,0,0,1,0|2,0,0]=3 198 B10R2.7 c1cncn2c1ncc2 AB55782 [0,0,0,0,1,0|2,0,0]=3 199 B10R2.7 c1cnnc2=NCC=c21 PB17814 [0,0,0,0,1,0|2,0,1]=4 200 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,1,0,0,0|1,0,0]=3 201 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,1,0,0,0|2,0,0]=4 202 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,1,0,0,0|1,0,1]=4 203 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,1,0,0,0|1,0,1]=4 204 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,1,0,0,0|1,0,1]=4 205 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,0,1,0,0,0|2,0,0]=4 206 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,0,1,0,0,0|2,0,0]=4 207 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,0,1,0,0,0|2,0,0]=4 208 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,0,1,0,0,0|2,0,0]=4 209 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,1,0,0,0|2,0,0]=4 210 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,0,1,0,0,0|2,0,0]=4 211 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,0,1,0,0,0|2,0,0]=4 212 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,0,1,0,0,0|2,0,0]=4 213 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,1,0,0,0|2,0,0]=4 214 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,1,1,0,0,0|1,0,1]=4 216 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,1,0,0,0|2,0,0]=4 218 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,1,0,0,0|1,0,1]=4 219 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,1,1,0,0,0|1,0,0]=3 221 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,1,1,0,0,0|1,0,1]=4 222 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.265 c1cnc(c(c1O)C=O)C=O AB84463 [0,1,1,0,0,0|2,0,0]=4 224 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [0,1,0,0,1,0|0,0,1]=3 225 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,1,0,0,1,0|0,0,1]=3 226 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [0,1,0,0,1,0|1,0,1]=4 227 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [0,1,0,0,1,0|1,0,1]=4 228 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [0,1,0,0,1,0|1,0,1]=4 229 B11R2.1 C1C=C2C(=C(C=N2)Br)C=N1 PB16059 [0,1,0,0,1,0|1,0,1]=4 230 B11R2.1 C1C=C2C(=C(C=N2)I)C=N1 PB12508 [0,1,0,0,1,0|1,0,1]=4 231 B11R2.1 C1C=C2C(=CN=C2C=N1)Br AB28409 [0,1,0,0,1,0|1,0,1]=4 232 B11R2.1 C1C=C2C(=CN=C2C=N1)Br PB20950 [0,1,0,0,1,0|1,0,1]=4 233 B11R2.1 C1C=CN=C2C1=NC=C2Br PB14830 [0,1,0,0,1,0|1,0,1]=4 234 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,1,0,0,1,0|1,0,1]=4 235 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,0,1,0|1,0,1]=4 236 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,0,1,0|1,0,1]=4 237 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,1,0,0,1,0|1,0,0]=3 238 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,1,0,0,1,0|1,0,0]=3 239 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,1,0,0,1,0|2,0,0]=4 240 B11R2.1 c1cc2c(cnn2nc1)Br PB15135 [0,1,0,0,1,0|2,0,0]=4 241 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,1,0,0,1,0|1,0,1]=4 242 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,0,1,0|0,0,2]=4 243 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,1,0,0,1,0|1,0,1]=4 244 B11R2.1 c1cc2ncc(n2nc1)Br PB23676 [0,1,0,0,1,0|2,0,0]=4 245 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,0,1,0|1,0,1]=4 246 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,1,0,0,1,0|1,0,0]=3 247 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,1,0,0,1,0|1,0,1]=4 248 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,0,1,0|1,0,1]=4 249 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,1,0,0,1,0|1,0,0]=3 250 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,1,0,0,1,0|2,0,0]=4 251 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,1,0,0,1,0|1,0,1]=4 252 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [0,1,0,0,1,0|1,0,0]=3 253 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [0,1,0,0,1,0|1,0,0]=3 254 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [0,1,0,0,1,0|1,0,0]=3 255 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [0,1,0,0,1,0|1,0,0]=3 256 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [0,1,0,0,1,0|1,0,0]=3 257 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [0,1,0,0,1,0|2,0,0]=4 258 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [0,1,0,0,1,0|2,0,0]=4 259 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [0,1,0,0,1,0|2,0,0]=4 260 B11R2.1 c1cn2c(c1Br)cncn2 PB35477 [0,1,0,0,1,0|2,0,0]=4 261 B11R2.1 c1cn2c(cn1)ncc2Br PB32412 [0,1,0,0,1,0|2,0,0]=4 262 B11R2.1 c1cnc2c(cnn2c1)Br PB22252 [0,1,0,0,1,0|2,0,0]=4 263 B11R2.1 c1cnc2c(cnn2c1)N PB27500 [0,1,0,0,1,0|2,0,0]=4 264 B11R2.1 c1cnc2c(cnn2c1)N PB37704 [0,1,0,0,1,0|2,0,0]=4 265 B11R2.1 c1cnc2ncc(n2c1)Br AB23077 [0,1,0,0,1,0|2,0,0]=4 266 B11R2.10 C1=CC2C(=NC(=N2)I)C=C1 AB18571 [0,1,0,0,1,0|1,0,1]=4 267 B11R2.10 C1=CC2C=C(N=C2C=C1)I MB08792 [0,1,0,0,1,0|0,0,1]=3 268 B11R2.10 C1C=C2C=C(N=C2C=N1)Br AB28161 [0,1,0,0,1,0|1,0,1]=4 269 B11R2.10 C1C=C2C=C(N=C2C=N1)Cl MB09720 [0,1,0,0,1,0|1,0,1]=4 270 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [0,1,0,0,1,0|1,0,1]=4 271 B11R2.10 CC1=NC2=C(=C1)C=CN=C2 PB23513 [0,1,0,0,1,0|1,0,1]=4 272 B11R2.10 CC1=NC2=C(=C1)C=NC=C2 PB34737 [0,1,0,0,1,0|1,0,1]=4 273 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [0,1,0,0,1,0|1,0,1]=4 274 B11R2.10 Cc1cc2ncccn2n1 AB44285 [0,1,0,0,1,0|2,0,0]=4 275 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,1,0,0,1,0|1,0,0]=3 276 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,1,0,0,1,0|2,0,0]=4 277 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,1,0,0,1,0|1,0,0]=3 278 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,1,0,0,1,0|2,0,0]=4 279 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,1,0,0,1,0|1,0,1]=4 280 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,1,0,0,1,0|1,0,1]=4 281 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,1,0,0,1,0|2,0,0]=4 282 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,1,0,0,1,0|2,0,0]=4 283 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,1,0,0,1,0|2,0,0]=4 284 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,1,0,0,1,0|2,0,0]=4 285 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,1,0,0,1,0|2,0,0]=4 286 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,1,0,0,1,0|2,0,0]=4 287 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,1,0,0,1,0|2,0,0]=4 288 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,1,0,0,1,0|2,0,0]=4 289 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,1,0,0,1,0|0,0,2]=4 290 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,1,0,0,1,0|1,0,0]=3 291 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,1,0,0,1,0|1,0,0]=3 292 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,1,0,0,1,0|1,0,0]=3 293 B11R2.10 c1ccn2c(c1)cc(n2)Cl AB28897 [0,1,0,0,1,0|1,0,0]=3 294 B11R2.10 c1ccn2c(c1)nc(n2)Cl AB69404 [0,1,0,0,1,0|2,0,0]=4 295 B11R2.10 c1ccn2c(c1)nc(n2)N AB64641 [0,1,0,0,1,0|2,0,0]=4 296 B11R2.10 c1cn2cc(nc2cn1)Br AB61156 [0,1,0,0,1,0|2,0,0]=4 297 B11R2.10 c1cn2cc(nc2cn1)N AB76352 [0,1,0,0,1,0|2,0,0]=4 298 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,1,0,0,1,0|2,0,0]=4 299 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,1,0,0,1,0|2,0,0]=4 300 B11R2.10 c1cncc2c1nc(s2)N PB34487 [0,1,0,0,1,0|2,0,0]=4 301 B11R2.10 c1cncc2c1nc(s2)S AB65962 [0,1,0,0,1,0|2,0,0]=4 302 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,1,0,0,1,0|2,0,0]=4 303 B11R2.10 c1cncc2c1sc(n2)N MB05751 [0,1,0,0,1,0|2,0,0]=4 304 B11R2.10 c1cncc2c1sc(n2)S AB65960 [0,1,0,0,1,0|2,0,0]=4 305 B11R2.36 C1=C2C=NC(=O)N=C2N=C1 MB05396 [0,1,0,0,1,0|2,0,0]=4 306 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,1,0,0,1,0|0,0,1]=3 307 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,1,0,0,1,0|0,0,1]=3 308 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,1,0,0,1,0|0,0,1]=3 309 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,1,0,0,1,0|0,0,1]=3 310 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,1,0,0,1,0|0,0,1]=3 311 B11R2.36 C1C=C(C=C2C1=NC=N2)Cl MB04649 [0,1,0,0,1,0|1,0,1]=4 312 B11R2.36 C1C=C(C=C2C1=NC=N2)F AB07100 [0,1,0,0,1,0|1,0,1]=4 313 B11R2.36 C1C=C(C=C2C1=NC=N2)I AB25990 [0,1,0,0,1,0|1,0,1]=4 314 B11R2.36 C1C=C(C=C2C1=NN=C2)Br PB14191 [0,1,0,0,1,0|1,0,1]=4 315 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [0,1,0,0,1,0|1,0,1]=4 316 B11R2.36 C1C=C(C=C2C1=NN=C2)F PB29333 [0,1,0,0,1,0|1,0,1]=4 317 B11R2.36 C1C=C(C=C2C1=NN=C2)I PB10471 [0,1,0,0,1,0|1,0,1]=4 318 B11R2.36 C1C=C(C=C2C1=NN=C2)N AB01685 [0,1,0,0,1,0|1,0,1]=4 319 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,1,0,0,1,0|1,0,1]=4 320 B11R2.36 C1C=C2C(=CC=N2)N=C1Br PB22217 [0,1,0,0,1,0|1,0,1]=4 321 B11R2.36 C1C=C2C(=CC=N2)N=C1Cl PB26323 [0,1,0,0,1,0|1,0,1]=4 322 B11R2.36 C1C=C2C(=CC=N2)N=C1N AB52502 [0,1,0,0,1,0|1,0,1]=4 323 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,1,0,0,1,0|1,0,1]=4 324 B11R2.36 C1C=C2C=CN=C2C=C1Br PB27487 [0,1,0,0,1,0|0,0,1]=3 325 B11R2.36 C1C=C2C=CN=C2C=C1F PB12993 [0,1,0,0,1,0|0,0,1]=3 326 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,1,0,0,1,0|0,0,1]=3 327 B11R2.36 C1C=C2C=CN=C2N=C1Br PB21932 [0,1,0,0,1,0|1,0,1]=4 328 B11R2.36 C1C=C2C=CN=C2N=C1Cl PB21926 [0,1,0,0,1,0|1,0,1]=4 329 B11R2.36 C1C=C2C=CN=C2N=C1F PB21935 [0,1,0,0,1,0|1,0,1]=4 330 B11R2.36 C1C=C2C=CN=C2N=C1I AB26057 [0,1,0,0,1,0|1,0,1]=4 331 B11R2.36 C1C=C2C=CN=C2N=C1N AB44400 [0,1,0,0,1,0|1,0,1]=4 332 B11R2.36 C1C=C2C=CN=C2N=C1O AB44403 [0,1,0,0,1,0|1,0,1]=4 333 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,1,0,0,1,0|0,0,1]=3 334 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [0,1,0,0,1,0|1,0,1]=4 335 B11R2.36 CC1=CN=C2C=CN=C2C1 PB12030 [0,1,0,0,1,0|1,0,1]=4 336 B11R2.36 CC1=NC=C2C=CN=C2C1 PB19033 [0,1,0,0,1,0|1,0,1]=4 337 B11R2.36 Cc1cc2nccn2cn1 AB55008 [0,1,0,0,1,0|2,0,0]=4 338 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,1,0,0,1,0|0,0,1]=3 339 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,1,0,0,1,0|1,0,1]=4 340 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,1,0,0,1,0|1,0,0]=3 341 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,1,0,0,1,0|1,0,0]=3 342 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,1,0,0,1,0|1,0,1]=4 343 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [0,1,0,0,1,0|2,0,0]=4 344 B11R2.36 Cc1ccn2ccnc2n1 AB43723 [0,1,0,0,1,0|2,0,0]=4 345 B11R2.36 Cc1cnc2ccnn2c1 AB62554 [0,1,0,0,1,0|2,0,0]=4 346 B11R2.36 Cc1cnc2nccn2c1 AB55753 [0,1,0,0,1,0|2,0,0]=4 347 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [0,1,0,0,1,0|1,0,1]=4 348 B11R2.36 c1c(cnc2=CCN=c21)F PB15121 [0,1,0,0,1,0|1,0,1]=4 349 B11R2.36 c1c(cnc2=CCN=c21)I PB10729 [0,1,0,0,1,0|1,0,1]=4 350 B11R2.36 c1c(cnc2=CCN=c21)N PB22282 [0,1,0,0,1,0|1,0,1]=4 351 B11R2.36 c1c(cnc2=NCC=c21)Br PB15851 [0,1,0,0,1,0|1,0,1]=4 352 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,1,0,0,1,0|1,0,1]=4 353 B11R2.36 c1c(cnc2=NCC=c21)F PB12380 [0,1,0,0,1,0|1,0,1]=4 354 B11R2.36 c1c(cnc2=NCC=c21)I PB32449 [0,1,0,0,1,0|1,0,1]=4 355 B11R2.36 c1c(cnc2=NCC=c21)N PB34142 [0,1,0,0,1,0|1,0,1]=4 356 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,1,0,0,1,0|1,0,1]=4 357 B11R2.36 c1c(cnc2c1nco2)Br AB40951 [0,1,0,0,1,0|2,0,0]=4 358 B11R2.36 c1c(cnc2c1nco2)Cl AB41016 [0,1,0,0,1,0|2,0,0]=4 359 B11R2.36 c1c(cnc2c1ncs2)Br AB40947 [0,1,0,0,1,0|2,0,0]=4 360 B11R2.36 c1c(cnc2c1ncs2)Cl AB41013 [0,1,0,0,1,0|2,0,0]=4 361 B11R2.36 c1c2=CCN=c2cnc1Br PB17911 [0,1,0,0,1,0|1,0,1]=4 362 B11R2.36 c1c2=CCN=c2cnc1Cl PB34486 [0,1,0,0,1,0|1,0,1]=4 363 B11R2.36 c1c2=CCN=c2cnc1N PB12201 [0,1,0,0,1,0|1,0,1]=4 364 B11R2.36 c1c2=NCC=c2cnc1Br PB10582 [0,1,0,0,1,0|1,0,1]=4 365 B11R2.36 c1c2=NCC=c2cnc1Cl PB22198 [0,1,0,0,1,0|1,0,1]=4 366 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,1,0,0,1,0|1,0,0]=3 367 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,1,0,0,1,0|1,0,0]=3 368 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,1,0,0,1,0|1,0,0]=3 369 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,1,0,0,1,0|1,0,0]=3 370 B11R2.36 c1cc(cn2c1ccn2)Br PB33438 [0,1,0,0,1,0|1,0,0]=3 371 B11R2.36 c1cc(nc2c1nco2)Br AB77477 [0,1,0,0,1,0|2,0,0]=4 372 B11R2.36 c1cc(nc2c1nco2)Cl AB77475 [0,1,0,0,1,0|2,0,0]=4 373 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,1,0,0,1,0|1,0,0]=3 374 B11R2.36 c1cc(nn2c1ncc2)Br PB16486 [0,1,0,0,1,0|2,0,0]=4 375 B11R2.36 c1cc(nn2c1ncc2)Cl PB24991 [0,1,0,0,1,0|2,0,0]=4 376 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,1,0,0,1,0|2,0,0]=4 377 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,1,0,0,1,0|1,0,0]=3 378 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,1,0,0,1,0|1,0,0]=3 379 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,1,0,0,1,0|1,0,0]=3 380 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,1,0,0,1,0|1,0,0]=3 381 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,1,0,0,1,0|1,0,0]=3 382 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,1,0,0,1,0|2,0,0]=4 383 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,1,0,0,1,0|1,0,0]=3 384 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,1,0,0,1,0|1,0,0]=3 385 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,0,1,0|1,0,0]=3 386 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,1,0,0,1,0|1,0,0]=3 387 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,1,0,0,1,0|1,0,0]=3 388 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,1,0,0,1,0|1,0,0]=3 389 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,1,0,0,1,0|1,0,0]=3 390 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,1,0,0,1,0|1,0,0]=3 391 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,1,0,0,1,0|1,0,0]=3 392 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,1,0,0,1,0|2,0,0]=4 393 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,1,0,0,1,0|1,0,0]=3 394 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,1,0,0,1,0|1,0,0]=3 395 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,1,0,0,1,0|2,0,0]=4 396 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,1,0,0,1,0|1,0,0]=3 397 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,1,0,0,1,0|1,0,0]=3 398 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,1,0,0,1,0|1,0,0]=3 399 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,1,0,0,1,0|1,0,0]=3 400 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,1,0,0,1,0|1,0,0]=3 401 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,1,0,0,1,0|1,0,0]=3 402 B11R2.36 c1cc2cnc(nn2c1)Cl PB38914 [0,1,0,0,1,0|2,0,0]=4 403 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,1,0,0,1,0|2,0,0]=4 404 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,0,1,0|2,0,0]=4 405 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,1,0,0,1,0|2,0,0]=4 406 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,1,0,0,1,0|2,0,0]=4 407 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,1,0,0,1,0|2,0,0]=4 408 B11R2.36 c1cc2conc2cc1Br MB19398 [0,1,0,0,1,0|1,0,0]=3 409 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,1,0,0,1,0|1,0,0]=3 410 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,1,0,0,1,0|1,0,0]=3 411 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,1,0,0,1,0|1,0,0]=3 412 B11R2.36 c1cc2nccn2cc1N PB12399 [0,1,0,0,1,0|1,0,0]=3 413 B11R2.36 c1cc2nccn2cc1O AB28902 [0,1,0,0,1,0|1,0,0]=3 414 B11R2.36 c1cc2nccn2nc1N AB61144 [0,1,0,0,1,0|2,0,0]=4 415 B11R2.36 c1cc2ncnn2cc1Br PB12540 [0,1,0,0,1,0|2,0,0]=4 416 B11R2.36 c1cc2nncn2cc1Br PB10571 [0,1,0,0,1,0|2,0,0]=4 417 B11R2.36 c1cn2c(cc1Br)cnn2 MB09890 [0,1,0,0,1,0|2,0,0]=4 418 B11R2.36 c1cn2c(cc1Br)ncn2 PB32891 [0,1,0,0,1,0|2,0,0]=4 419 B11R2.36 c1cn2cc(cnc2n1)Br PB14681 [0,1,0,0,1,0|2,0,0]=4 420 B11R2.36 c1cn2cc(cnc2n1)Cl AB56410 [0,1,0,0,1,0|2,0,0]=4 421 B11R2.36 c1cn2cc(cnc2n1)N AB56414 [0,1,0,0,1,0|2,0,0]=4 422 B11R2.36 c1cn2cc(ncc2n1)Br PB23663 [0,1,0,0,1,0|2,0,0]=4 423 B11R2.36 c1cn2cc(ncc2n1)Cl AB54752 [0,1,0,0,1,0|2,0,0]=4 424 B11R2.36 c1cn2ccnc2cc1Br PB30948 [0,1,0,0,1,0|1,0,0]=3 425 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [0,1,0,0,1,0|1,0,0]=3 426 B11R2.36 c1cn2ccnc2cc1N PB20545 [0,1,0,0,1,0|1,0,0]=3 427 B11R2.36 c1cn2ccnc2nc1Cl AB61250 [0,1,0,0,1,0|2,0,0]=4 428 B11R2.36 c1cn2cnnc2cc1Br PB16252 [0,1,0,0,1,0|2,0,0]=4 429 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [0,1,0,0,1,0|2,0,0]=4 430 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,1,0,0,1,0|1,0,0]=3 431 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,1,0,0,1,0|1,0,0]=3 432 B11R2.36 c1cnn2c1nc(cc2)Cl PB23376 [0,1,0,0,1,0|2,0,0]=4 433 B11R2.36 c1cnn2c1nc(cc2)I PB28294 [0,1,0,0,1,0|2,0,0]=4 434 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,1,0,0,1,0|2,0,0]=4 435 B11R2.36 c1cnn2c1ncc(c2)Br PB23680 [0,1,0,0,1,0|2,0,0]=4 436 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,1,0,0,1,0|1,0,0]=3 437 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,1,0,0,1,0|1,0,0]=3 438 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,1,0,0,1,0|2,0,0]=4 439 B11R2.36 c1csc2c1cnc(n2)Cl PB11077 [0,1,0,0,1,0|2,0,0]=4 440 B11R2.36 c1csc2c1nc(nc2)Cl PB17979 [0,1,0,0,1,0|2,0,0]=4 441 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [0,1,0,0,1,0|2,0,0]=4 442 B11R2.106 C1=C2C(=NC=NC2=O)N=C1 PB29165 [0,1,0,0,1,0|2,0,0]=4 443 B11R2.106 C1=CN=C2C1=NC=NC2=O PB28030 [0,1,0,0,1,0|2,0,0]=4 444 B11R2.106 C1C=CC(=C2C1=NC=C2)Br PB10160 [0,1,0,0,1,0|0,0,1]=3 445 B11R2.106 C1C=CC(=C2C1=NC=C2)Cl AB00468 [0,1,0,0,1,0|0,0,1]=3 446 B11R2.106 C1C=CC(=C2C1=NC=C2)F PB20892 [0,1,0,0,1,0|0,0,1]=3 447 B11R2.106 C1C=CC(=C2C1=NC=C2)O AB00472 [0,1,0,0,1,0|0,0,1]=3 448 B11R2.106 C1C=CC(=C2C1=NN=C2)Br PB12348 [0,1,0,0,1,0|1,0,1]=4 449 B11R2.106 C1C=CC(=C2C1=NN=C2)Cl PB29043 [0,1,0,0,1,0|1,0,1]=4 450 B11R2.106 C1C=CC(=C2C1=NN=C2)F PB12462 [0,1,0,0,1,0|1,0,1]=4 451 B11R2.106 C1C=CC(=C2C1=NN=C2)I PB27826 [0,1,0,0,1,0|1,0,1]=4 452 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [0,1,0,0,1,0|1,0,1]=4 453 B11R2.106 C1C=C[N+](=C2C1=NC=C2)[O-] PB26857 [0,1,0,0,1,0|1,0,1]=4 454 B11R2.106 CC1=C2C(=CC=N2)C=CC1 AB00504 [0,1,0,0,1,0|0,0,1]=3 455 B11R2.106 CC1=C2C(=CC=N2)N=CC1 PB26696 [0,1,0,0,1,0|1,0,1]=4 456 B11R2.106 CC1=C2C(=CN=N2)C=CC1 MB03490 [0,1,0,0,1,0|1,0,1]=4 457 B11R2.106 CC1=C2C=CN=C2C=CC1 AB00476 [0,1,0,0,1,0|0,0,1]=3 458 B11R2.106 CC1=C2C=CN=C2N=CC1 PB19900 [0,1,0,0,1,0|1,0,1]=4 459 B11R2.106 CC1=C2C=NN=C2C=CC1 MB03676 [0,1,0,0,1,0|1,0,1]=4 460 B11R2.106 Cc1c2cccn2ccn1 AB52834 [0,1,0,0,1,0|2,0,0]=4 461 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,0,1,0|1,0,0]=3 462 B11R2.106 c1c2=CCN=c2c(cn1)Br PB15912 [0,1,0,0,1,0|1,0,1]=4 463 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,1,0,0,1,0|1,0,1]=4 464 B11R2.106 c1c2=CCN=c2c(cn1)F PB30026 [0,1,0,0,1,0|1,0,1]=4 465 B11R2.106 c1c2=NCC=c2c(cn1)Br PB31599 [0,1,0,0,1,0|1,0,1]=4 466 B11R2.106 c1c2=NCC=c2c(cn1)Cl PB15239 [0,1,0,0,1,0|1,0,1]=4 467 B11R2.106 c1c2=NCC=c2c(cn1)F PB37419 [0,1,0,0,1,0|1,0,1]=4 468 B11R2.106 c1c2c(cs1)ncnc2Cl AB63955 [0,1,0,0,1,0|2,0,0]=4 469 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [0,1,0,0,1,0|1,0,1]=4 470 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [0,1,0,0,1,0|1,0,0]=3 471 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,1,0,0,1,0|1,0,0]=3 472 B11R2.106 c1cc(c2nccn2c1)Br PB14615 [0,1,0,0,1,0|1,0,0]=3 473 B11R2.106 c1cc(c2nccn2c1)Br PB38167 [0,1,0,0,1,0|1,0,0]=3 474 B11R2.106 c1cc(c2nccn2c1)N PB32476 [0,1,0,0,1,0|1,0,0]=3 475 B11R2.106 c1cc(c2ncnn2c1)Br PB19103 [0,1,0,0,1,0|2,0,0]=4 476 B11R2.106 c1cc(c2nncn2c1)Br PB29098 [0,1,0,0,1,0|2,0,0]=4 477 B11R2.106 c1cc(n2ccnc2c1)N PB21879 [0,1,0,0,1,0|1,0,0]=3 478 B11R2.106 c1cc2c(=O)[nH]ccn2c1 PB13162 [0,1,0,0,1,0|2,0,0]=4 479 B11R2.106 c1cc2c(=O)[nH]cnn2c1 PB22646 [0,1,0,0,1,0|2,0,0]=4 480 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,1,0,0,1,0|1,0,0]=3 481 B11R2.106 c1cc2c(c(c1)Br)scn2 PB17880 [0,1,0,0,1,0|1,0,0]=3 482 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,1,0,0,1,0|1,0,0]=3 483 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,1,0,0,1,0|1,0,0]=3 484 B11R2.106 c1cc2c(ccnn2c1)N PB18284 [0,1,0,0,1,0|1,0,0]=3 485 B11R2.106 c1cc2c(cco2)[n+](c1)[O-] CB11844 [0,1,0,0,1,0|1,0,1]=4 486 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [0,1,0,0,1,0|1,0,0]=3 487 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [0,1,0,0,1,0|1,0,0]=3 488 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [0,1,0,0,1,0|1,0,0]=3 489 B11R2.106 c1cc2c(nccn2c1)Cl PB10727 [0,1,0,0,1,0|2,0,0]=4 490 B11R2.106 c1cc2c(ncnn2c1)Cl PB19155 [0,1,0,0,1,0|2,0,0]=4 491 B11R2.106 c1cc2c(ncnn2c1)N PB17489 [0,1,0,0,1,0|2,0,0]=4 492 B11R2.106 c1cc2ccnc(n2c1)Cl AB53391 [0,1,0,0,1,0|2,0,0]=4 493 B11R2.106 c1cc2ccnn2c(c1)Br AB28896 [0,1,0,0,1,0|1,0,0]=3 494 B11R2.106 c1cc2ccnn2c(c1)I AB48943 [0,1,0,0,1,0|1,0,0]=3 495 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,1,0,0,1,0|1,0,0]=3 496 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,1,0,0,1,0|1,0,0]=3 497 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [0,1,0,0,1,0|1,0,0]=3 498 B11R2.106 c1cc2cncn2c(c1)Br AB28894 [0,1,0,0,1,0|2,0,0]=4 499 B11R2.106 c1cc2cncn2c(c1)I AB68521 [0,1,0,0,1,0|2,0,0]=4 500 B11R2.106 c1cc2n(c1)N=CCC2=O PB30024 [0,1,0,0,1,0|1,0,1]=4 501 B11R2.106 c1cc2nccn2c(c1)Br PB32607 [0,1,0,0,1,0|1,0,0]=3 502 B11R2.106 c1cc2nccn2c(c1)Cl AB61232 [0,1,0,0,1,0|1,0,0]=3 503 B11R2.106 c1cc2ncnn2c(c1)Br PB14838 [0,1,0,0,1,0|2,0,0]=4 504 B11R2.106 c1cc2nncn2c(c1)Br PB16306 [0,1,0,0,1,0|2,0,0]=4 505 B11R2.106 c1cn2ccnc(c2n1)Cl PB29694 [0,1,0,0,1,0|2,0,0]=4 506 B11R2.106 c1cn2ccnc2c(n1)N AB53126 [0,1,0,0,1,0|2,0,0]=4 507 B11R2.106 c1cnc(c2=CCN=c21)Br PB25087 [0,1,0,0,1,0|1,0,1]=4 508 B11R2.106 c1cnc(c2=NCC=c21)Br PB14366 [0,1,0,0,1,0|1,0,1]=4 509 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,1,0,0,1,0|1,0,1]=4 510 B11R2.106 c1cnc(c2=NCC=c21)N AB52926 [0,1,0,0,1,0|1,0,1]=4 511 B11R2.106 c1cnc(c2c1cco2)Cl PB14748 [0,1,0,0,1,0|2,0,0]=4 512 B11R2.106 c1cnc(c2c1cco2)N AB52921 [0,1,0,0,1,0|2,0,0]=4 513 B11R2.106 c1cnc(c2c1ccs2)Cl PB10318 [0,1,0,0,1,0|2,0,0]=4 514 B11R2.106 c1cnc(c2c1ccs2)N PB25207 [0,1,0,0,1,0|2,0,0]=4 515 B11R2.106 c1cnc(c2c1ncs2)Cl PB28427 [0,1,0,0,1,0|2,0,0]=4 516 B11R2.106 c1cnc(c2c1occ2)N AB52908 [0,1,0,0,1,0|2,0,0]=4 517 B11R2.106 c1cnc(c2c1scc2)Cl PB27550 [0,1,0,0,1,0|2,0,0]=4 518 B11R2.106 c1cnc2=CCN=c2c1Br PB10981 [0,1,0,0,1,0|1,0,1]=4 519 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,1,0,0,1,0|1,0,1]=4 520 B11R2.106 c1cnc2=CCN=c2c1F PB25681 [0,1,0,0,1,0|1,0,1]=4 521 B11R2.106 c1cnc2=NCC=c2c1Br PB31039 [0,1,0,0,1,0|1,0,1]=4 522 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,1,0,0,1,0|1,0,1]=4 523 B11R2.106 c1cnc2=NCC=c2c1F PB15996 [0,1,0,0,1,0|1,0,1]=4 524 B11R2.106 c1cnc2=NCC=c2c1N PB25081 [0,1,0,0,1,0|1,0,1]=4 525 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,1,0,0,1,0|1,0,1]=4 526 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [0,1,0,0,1,0|1,0,0]=3 527 B11R2.106 c1cnc2ccoc2c1Cl PB22739 [0,1,0,0,1,0|1,0,0]=3 528 B11R2.106 c1cnc2ccsc2c1Cl PB17528 [0,1,0,0,1,0|1,0,0]=3 529 B11R2.106 c1cnc2ccsc2c1N MB06918 [0,1,0,0,1,0|1,0,0]=3 530 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,1,0,0,1,0|1,0,0]=3 531 B11R2.106 c1cnc2nccn2c1Cl AB61265 [0,1,0,0,1,0|2,0,0]=4 532 B11R2.106 c1cnn2c1c(ncc2)Cl AB72522 [0,1,0,0,1,0|2,0,0]=4 533 B11R2.106 c1cnn2c1nccc2Cl PB27621 [0,1,0,0,1,0|2,0,0]=4 534 B11R2.106 c1cnn2c1nccc2O AB16977 [0,1,0,0,1,0|2,0,0]=4 535 B11R2.106 c1cnn2ccnc2c1N PB38542 [0,1,0,0,1,0|2,0,0]=4 536 B11R2.106 c1coc2c1c(ncn2)Cl PB28041 [0,1,0,0,1,0|2,0,0]=4 537 B11R2.106 c1coc2c1c(ncn2)N PB20409 [0,1,0,0,1,0|2,0,0]=4 538 B11R2.106 c1coc2c1ncnc2Cl PB17670 [0,1,0,0,1,0|2,0,0]=4 539 B11R2.106 c1coc2c1ncnc2O AB52914 [0,1,0,0,1,0|2,0,0]=4 540 B11R2.106 c1csc2c1c(cnc2)Cl MB08838 [0,1,0,0,1,0|2,0,0]=4 541 B11R2.106 c1csc2c1c(ncn2)Cl PB14219 [0,1,0,0,1,0|2,0,0]=4 542 B11R2.106 c1csc2c1ncnc2Cl PB24607 [0,1,0,0,1,0|2,0,0]=4 543 B11R2.106 c1csc2c1ncnc2N AB52930 [0,1,0,0,1,0|2,0,0]=4 544 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [0,2,0,0,0,0|0,0,0]=2 545 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [0,2,0,0,0,0|0,0,0]=2 546 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [0,2,0,0,0,0|0,0,0]=2 547 B13R2.32 c1ccc2c(c1)c(=O)n(nn2)O CB10152 [0,2,0,0,0,0|2,0,0]=4 548 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,2,0,0,0,0|1,0,0]=3 549 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,2,0,0,0,0|1,0,0]=3 550 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,2,0,0,0,0|1,0,0]=3 551 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,2,0,0,0,0|2,0,0]=4 552 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [0,2,0,0,0,0|0,0,0]=2 553 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [0,2,0,0,0,0|0,0,0]=2 554 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [0,2,0,0,0,0|0,0,0]=2 555 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,2,0,0,0,0|0,0,0]=2 556 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,2,0,0,0,0|0,0,0]=2 557 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,2,0,0,0,0|2,0,0]=4 558 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [0,2,0,0,0,0|2,0,0]=4 559 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,2,0,0,0,0|2,0,0]=4 560 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [0,2,0,0,0,0|2,0,0]=4 561 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [0,2,0,0,0,0|1,0,0]=3 562 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [0,2,0,0,0,0|1,0,0]=3 563 B13R2.57 c1cc2c(ccc(n2)CN)nc1 AB68446 [0,2,0,0,0,0|1,0,0]=3 564 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,2,0,0,0,0|0,0,0]=2 565 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [0,2,0,0,0,0|0,0,0]=2 566 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [0,2,0,0,0,0|0,0,0]=2 567 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,2,0,0,0,0|1,0,0]=3 568 B13R2.57 c1cc2cc(cnc2nc1)CN AB68439 [0,2,0,0,0,0|1,0,0]=3 569 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,2,0,0,0,0|0,0,0]=2 570 B13R2.57 c1cc2ccc(nc2nc1)C=O CB10823 [0,2,0,0,0,0|1,0,0]=3 571 B13R2.57 c1cc2ccc(nc2nc1)CCl AB76389 [0,2,0,0,0,0|1,0,0]=3 572 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [0,2,0,0,0,0|2,0,0]=4 573 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,2,0,0,0,0|2,0,0]=4 574 B13R2.57 c1cc2cnccc2cc1CN MB08771 [0,2,0,0,0,0|2,0,0]=4 575 B13R2.57 c1cc2cnccc2cc1CO MB09755 [0,2,0,0,0,0|2,0,0]=4 576 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N AB04718 [0,2,0,0,0,0|1,0,1]=4 577 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,2,0,0,0,0|1,0,1]=4 578 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,2,0,0,0,0|0,0,0]=2 579 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [0,2,0,0,0,0|0,0,0]=2 580 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [0,2,0,0,0,0|0,0,0]=2 581 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,2,0,0,0,0|0,0,0]=2 582 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [0,2,0,0,0,0|0,0,0]=2 583 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [0,2,0,0,0,0|0,0,0]=2 584 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,2,0,0,0,0|1,0,0]=3 585 B13R2.57 c1ccc2c(c1)cnc(n2)CCl AB68878 [0,2,0,0,0,0|1,0,0]=3 586 B13R2.57 c1ccc2c(c1)cnc(n2)CN AB59130 [0,2,0,0,0,0|1,0,0]=3 587 B13R2.57 c1ccc2c(c1)ncc(n2)C#N CB11633 [0,2,0,0,0,0|1,0,0]=3 588 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [0,2,0,0,0,0|1,0,0]=3 589 B13R2.57 c1ccc2cc(ccc2c1)NN AB17521 [0,2,0,0,0,0|1,0,0]=3 590 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,2,0,0,0,0|2,0,0]=4 591 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,2,0,0,0,0|2,0,0]=4 592 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [0,2,0,0,0,0|1,0,1]=4 593 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [0,2,0,0,0,0|0,0,0]=2 594 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,2,0,0,0,0|2,0,0]=4 595 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,2,0,0,0,0|0,0,1]=3 596 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [0,2,0,0,0,0|0,0,0]=2 597 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [0,2,0,0,0,0|0,0,0]=2 598 B13R2.155 c1c(cnc2c1nc(nc2)Cl)Br PB19532 [0,2,0,0,0,0|2,0,0]=4 599 B13R2.155 c1c2=NC(=O)CC=c2cnc1Cl AB85048 [0,2,0,0,0,0|1,0,1]=4 600 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [0,2,0,0,0,0|0,0,1]=3 601 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [0,2,0,0,0,0|0,0,1]=3 602 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [0,2,0,0,0,0|0,0,1]=3 603 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [0,2,0,0,0,0|0,0,0]=2 604 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [0,2,0,0,0,0|0,0,0]=2 605 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [0,2,0,0,0,0|0,0,0]=2 606 B13R2.155 c1cc(nc2c1ccc(n2)Cl)Cl MB05733 [0,2,0,0,0,0|1,0,0]=3 607 B13R2.155 c1cc(nc2c1ccc(n2)F)O AB45677 [0,2,0,0,0,0|1,0,0]=3 608 B13R2.155 c1cc(nc2c1cnc(c2)Cl)Cl AB85050 [0,2,0,0,0,0|1,0,0]=3 609 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [0,2,0,0,0,0|1,0,0]=3 610 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [0,2,0,0,0,0|0,0,0]=2 611 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [0,2,0,0,0,0|0,0,0]=2 612 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl AB12778 [0,2,0,0,0,0|1,0,0]=3 613 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl AB14861 [0,2,0,0,0,0|1,0,0]=3 614 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [0,2,0,0,0,0|2,0,0]=4 615 B13R2.155 c1cc2cnc(nc2cc1Br)Cl PB10831 [0,2,0,0,0,0|1,0,0]=3 616 B13R2.155 c1cc2cnc(nc2cc1F)Cl CB11528 [0,2,0,0,0,0|1,0,0]=3 617 B13R2.155 c1cc2cnc(nc2cc1F)N CB11238 [0,2,0,0,0,0|1,0,0]=3 618 B13R2.162 C1=C2=NC=C(C=C2C(=O)N=C1)Br PB30293 [0,2,0,0,0,0|1,0,1]=4 619 B13R2.162 C1=C2=NC=C(C=C2C(=O)N=C1)Cl AB85009 [0,2,0,0,0,0|1,0,1]=4 620 B13R2.162 Cc1ccc2c(c1)C(CC=N2)O AB45147 [0,2,0,0,0,0|0,0,2]=4 621 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [0,2,0,0,0,0|0,0,0]=2 622 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [0,2,0,0,0,0|0,0,0]=2 623 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [0,2,0,0,0,0|0,0,0]=2 624 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl AB15706 [0,2,0,0,0,0|1,0,0]=3 625 B13R2.162 Cc1ccc2c(n1)c(ncn2)Cl AB73150 [0,2,0,0,0,0|2,0,0]=4 626 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [0,2,0,0,0,0|2,0,0]=4 627 B13R2.162 Cc1ccc2cc[nH]c(=O)c2n1 AB76636 [0,2,0,0,0,0|1,0,0]=3 628 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [0,2,0,0,0,0|0,0,0]=2 629 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [0,2,0,0,0,0|2,0,0]=4 630 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [0,2,0,0,0,0|0,0,0]=2 631 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [0,2,0,0,0,0|0,0,0]=2 632 B13R2.162 c1c(cnc2c1c(=O)[nH]cn2)Br PB26933 [0,2,0,0,0,0|2,0,0]=4 633 B13R2.162 c1c(cnc2c1c(ncn2)Cl)Br PB17770 [0,2,0,0,0,0|2,0,0]=4 634 B13R2.162 c1c2c(cnc1Cl)ncnc2Cl AB62944 [0,2,0,0,0,0|2,0,0]=4 635 B13R2.162 c1c2c(cnc1F)ncnc2Cl AB49479 [0,2,0,0,0,0|2,0,0]=4 636 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Br AB10173 [0,2,0,0,0,0|2,0,0]=4 637 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Cl AB42150 [0,2,0,0,0,0|2,0,0]=4 638 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [0,2,0,0,0,0|2,0,0]=4 639 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [0,2,0,0,0,0|2,0,0]=4 640 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [0,2,0,0,0,0|2,0,0]=4 641 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [0,2,0,0,0,0|2,0,0]=4 642 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [0,2,0,0,0,0|2,0,0]=4 643 B13R2.162 c1cc(nc2c1cc[nH]c2=O)Br AB85018 [0,2,0,0,0,0|1,0,0]=3 644 B13R2.162 c1cc(nc2c1ccnc2Cl)Br AB73782 [0,2,0,0,0,0|1,0,0]=3 645 B13R2.162 c1cc(nc2c1ccnc2Cl)Cl AB73789 [0,2,0,0,0,0|1,0,0]=3 646 B13R2.162 c1cc(nc2c1ccnc2O)Br AB73785 [0,2,0,0,0,0|1,0,0]=3 647 B13R2.162 c1cc(nc2c1ccnc2O)Cl AB73786 [0,2,0,0,0,0|1,0,0]=3 648 B13R2.162 c1cc(nc2c1nc[nH]c2=O)Cl PB19179 [0,2,0,0,0,0|2,0,0]=4 649 B13R2.162 c1cc(nc2c1nccc2Br)Br PB11778 [0,2,0,0,0,0|1,0,0]=3 650 B13R2.162 c1cc(nc2c1nccc2Cl)Cl PB27264 [0,2,0,0,0,0|1,0,0]=3 651 B13R2.162 c1cc(nc2c1ncnc2Cl)Cl PB19186 [0,2,0,0,0,0|2,0,0]=4 652 B13R2.162 c1cc(nc2c1ncnc2Cl)F AB70525 [0,2,0,0,0,0|2,0,0]=4 653 B13R2.162 c1cc2c(cc1Br)c(=O)[nH]cn2 AB21786 [0,2,0,0,0,0|1,0,0]=3 654 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [0,2,0,0,0,0|0,0,0]=2 655 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [0,2,0,0,0,0|0,0,0]=2 656 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [0,2,0,0,0,0|0,0,0]=2 657 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl PB32280 [0,2,0,0,0,0|1,0,0]=3 658 B13R2.162 c1cc2c(cc1Br)c(ncn2)N AB11598 [0,2,0,0,0,0|1,0,0]=3 659 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [0,2,0,0,0,0|0,0,0]=2 660 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [0,2,0,0,0,0|0,0,0]=2 661 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [0,2,0,0,0,0|0,0,0]=2 662 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl AB03250 [0,2,0,0,0,0|1,0,0]=3 663 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [0,2,0,0,0,0|1,0,0]=3 664 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 CB11390 [0,2,0,0,0,0|1,0,0]=3 665 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [0,2,0,0,0,0|0,0,0]=2 666 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [0,2,0,0,0,0|0,0,0]=2 667 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [0,2,0,0,0,0|0,0,0]=2 668 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl AB42372 [0,2,0,0,0,0|1,0,0]=3 669 B13R2.162 c1cc2c(cc1F)c(ncn2)N CB11608 [0,2,0,0,0,0|1,0,0]=3 670 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 PB31146 [0,2,0,0,0,0|0,0,1]=3 671 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 PB18488 [0,2,0,0,0,0|1,0,0]=3 672 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl PB19952 [0,2,0,0,0,0|1,0,0]=3 673 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 AB07313 [0,2,0,0,0,0|1,0,0]=3 674 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [0,2,0,0,0,0|1,0,0]=3 675 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [0,2,0,0,0,0|0,0,1]=3 676 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [0,2,0,0,0,0|0,0,1]=3 677 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [0,2,0,0,0,0|0,0,0]=2 678 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [0,2,0,0,0,0|0,0,0]=2 679 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [0,2,0,0,0,0|0,0,0]=2 680 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [0,2,0,0,0,0|0,0,0]=2 681 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl PB34557 [0,2,0,0,0,0|1,0,0]=3 682 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl PB22921 [0,2,0,0,0,0|1,0,0]=3 683 B13R2.162 c1cnc(c2c1ncc(c2)N)Cl AB73820 [0,2,0,0,0,0|1,0,0]=3 684 B13R2.162 c1cnc(c2c1ncc(c2)N)O AB73821 [0,2,0,0,0,0|1,0,0]=3 685 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [0,2,0,0,0,0|0,0,0]=2 686 B13R2.328 Cc1cc(cc2c1nccn2)Br MB15073 [0,2,0,0,0,0|1,0,0]=3 687 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [0,2,0,0,0,0|0,0,0]=2 688 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [0,2,0,0,0,0|0,0,0]=2 689 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [0,2,0,0,0,0|1,0,0]=3 690 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 CB11334 [0,2,0,0,0,0|2,0,0]=4 691 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 PB22455 [0,2,0,0,0,0|2,0,0]=4 692 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 PB34610 [0,2,0,0,0,0|1,0,0]=3 693 B13R2.328 c1cc2c(nc1)nc(nc2Cl)Cl PB22043 [0,2,0,0,0,0|2,0,0]=4 694 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [0,2,0,0,0,0|0,0,1]=3 695 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [0,2,0,0,0,0|0,0,1]=3 696 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,2,0,0,0,0|2,0,0]=4 697 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N AB10668 [0,2,0,0,0,0|1,0,0]=3 698 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,2,0,0,0,0|1,0,0]=3 699 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [0,2,0,0,0,0|0,0,0]=2 700 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [0,2,0,0,0,0|0,0,0]=2 701 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [0,2,0,0,0,0|0,0,0]=2 702 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [0,2,0,0,0,0|0,0,0]=2 703 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [0,2,0,0,0,0|0,0,0]=2 704 B13R2.328 c1ccc2c(c1)c(nc(n2)Br)Br MB08185 [0,2,0,0,0,0|1,0,0]=3 705 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl AB03291 [0,2,0,0,0,0|1,0,0]=3 706 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N AB43584 [0,2,0,0,0,0|1,0,0]=3 707 B13R2.328 c1ccc2c(c1)c(nc(n2)N)Cl AB60762 [0,2,0,0,0,0|1,0,0]=3 708 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,2,0,0,0,0|2,0,0]=4 709 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,2,0,0,0,0|2,0,0]=4 710 B13R2.328 c1ccc2c(c1)nc(n[n+]2[O-])N MB00333 [0,2,0,0,0,0|2,0,0]=4 711 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl PB16298 [0,2,0,0,0,0|2,0,0]=4 712 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,2,0,0,0,0|1,0,0]=3 713 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,2,0,0,0,0|0,0,0]=2 714 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,2,0,0,0,0|1,0,0]=3 715 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,2,0,0,0,0|0,0,1]=3 716 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)Cl PB24182 [0,2,0,0,0,0|1,0,1]=4 717 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)N PB34919 [0,2,0,0,0,0|1,0,1]=4 718 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,2,0,0,0,0|0,0,0]=2 719 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,2,0,0,0,0|0,0,0]=2 720 B13R2.369 c1ccc2c(c1)nc([n+](n2)[O-])N MB02076 [0,2,0,0,0,0|2,0,0]=4 721 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl AB00795 [0,2,0,0,0,0|1,0,0]=3 722 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N PB33886 [0,2,0,0,0,0|1,0,0]=3 723 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,2,0,0,0,0|1,0,0]=3 724 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,2,0,0,0,0|1,0,0]=3 725 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,2,0,0,0,0|0,0,1]=3 726 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [0,2,0,0,0,0|0,0,0]=2 727 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [0,2,0,0,0,0|0,0,0]=2 728 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [0,2,0,0,0,0|1,0,0]=3 729 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [0,2,0,0,0,0|2,0,0]=4 730 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [0,2,0,0,0,0|0,0,0]=2 731 B13R2.3683 c1c(cnc2=NC(=O)CC=c21)Br AB64025 [0,2,0,0,0,0|1,0,1]=4 732 B13R2.3683 c1c2cnc(nc2ncc1Br)Cl PB16615 [0,2,0,0,0,0|2,0,0]=4 733 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [0,2,0,0,0,0|0,0,0]=2 734 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [0,2,0,0,0,0|0,0,0]=2 735 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [0,2,0,0,0,0|0,0,0]=2 736 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [0,2,0,0,0,0|2,0,0]=4 737 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [0,2,0,0,0,0|2,0,0]=4 738 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [0,2,0,0,0,0|2,0,0]=4 739 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [0,2,0,0,0,0|0,0,0]=2 740 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [0,2,0,0,0,0|0,0,0]=2 741 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [0,2,0,0,0,0|0,0,0]=2 742 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [0,2,0,0,0,0|0,0,0]=2 743 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [0,2,0,0,0,0|0,0,0]=2 744 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [0,2,0,0,0,0|0,0,0]=2 745 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [0,2,0,0,0,0|0,0,0]=2 746 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [0,2,0,0,0,0|0,0,0]=2 747 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Br AB68437 [0,2,0,0,0,0|1,0,0]=3 748 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl PB30962 [0,2,0,0,0,0|1,0,0]=3 749 B13R2.3683 c1cc(nc2c1cc(cn2)Br)N AB54756 [0,2,0,0,0,0|1,0,0]=3 750 B13R2.3683 c1cc(nc2c1nc(cc2)Br)Br AB05216 [0,2,0,0,0,0|1,0,0]=3 751 B13R2.3683 c1cc(nc2c1nc(cc2)Cl)Cl AB16862 [0,2,0,0,0,0|1,0,0]=3 752 B13R2.3683 c1cc(nc2c1nc(nc2)Cl)Cl AB68433 [0,2,0,0,0,0|2,0,0]=4 753 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,2,0,0,0,0|0,0,1]=3 754 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,2,0,0,0,0|0,0,1]=3 755 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,2,0,0,0,0|0,0,1]=3 756 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,2,0,0,0,0|0,0,1]=3 757 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [0,2,0,0,0,0|1,0,0]=3 758 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [0,2,0,0,0,0|1,0,0]=3 759 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl PB25125 [0,2,0,0,0,0|1,0,0]=3 760 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N MB09957 [0,2,0,0,0,0|1,0,0]=3 761 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [0,2,0,0,0,0|1,0,0]=3 762 B13R2.3683 c1cc2c(cc1Br)nnc(n2)N MB09368 [0,2,0,0,0,0|2,0,0]=4 763 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [0,2,0,0,0,0|1,0,0]=3 764 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [0,2,0,0,0,0|2,0,0]=4 765 B13R2.3683 c1cc2c(cc1F)nnc(n2)N MB00339 [0,2,0,0,0,0|2,0,0]=4 766 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [0,2,0,0,0,0|2,0,0]=4 767 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Br AB85026 [0,2,0,0,0,0|1,0,1]=4 768 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Cl AB85029 [0,2,0,0,0,0|1,0,1]=4 769 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)F AB85030 [0,2,0,0,0,0|1,0,1]=4 770 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [0,2,0,0,0,0|2,0,0]=4 771 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [0,2,0,0,0,0|2,0,0]=4 772 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [0,2,0,0,0,0|2,0,0]=4 773 B13R2.5179 Cc1ccc2c(c1)nc[nH]c2=O MB08805 [0,2,0,0,0,0|1,0,0]=3 774 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl AB59114 [0,2,0,0,0,0|1,0,0]=3 775 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [0,2,0,0,0,0|0,0,0]=2 776 B13R2.5179 Cc1ccc2c(n1)cc[nH]c2=O AB85004 [0,2,0,0,0,0|1,0,0]=3 777 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [0,2,0,0,0,0|0,0,0]=2 778 B13R2.5179 Cc1ccc2c(n1)ncnc2Cl PB33473 [0,2,0,0,0,0|2,0,0]=4 779 B13R2.5179 c1c(cnc2c1nc[nH]c2=O)Br PB26818 [0,2,0,0,0,0|2,0,0]=4 780 B13R2.5179 c1c(cnc2c1ncnc2Cl)Br PB34615 [0,2,0,0,0,0|2,0,0]=4 781 B13R2.5179 c1c2c(cnc1Cl)c(ncn2)Cl AB73045 [0,2,0,0,0,0|2,0,0]=4 782 B13R2.5179 c1c2c(cnc1F)c(ncn2)Cl AB64188 [0,2,0,0,0,0|2,0,0]=4 783 B13R2.5179 c1cc(nc2c1c(=O)[nH]cc2)Br AB85000 [0,2,0,0,0,0|1,0,0]=3 784 B13R2.5179 c1cc(nc2c1c(=O)[nH]cc2)Cl AB85003 [0,2,0,0,0,0|1,0,0]=3 785 B13R2.5179 c1cc(nc2c1c(ncc2)Br)Cl AB85043 [0,2,0,0,0,0|1,0,0]=3 786 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Br AB73801 [0,2,0,0,0,0|1,0,0]=3 787 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Cl AB54491 [0,2,0,0,0,0|1,0,0]=3 788 B13R2.5179 c1cc(nc2c1c(ncc2)O)Br AB73798 [0,2,0,0,0,0|1,0,0]=3 789 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [0,2,0,0,0,0|1,0,0]=3 790 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)Cl PB25155 [0,2,0,0,0,0|2,0,0]=4 791 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)F AB71430 [0,2,0,0,0,0|2,0,0]=4 792 B13R2.5179 c1cc(nc2c1c(ncn2)O)Cl AB51262 [0,2,0,0,0,0|2,0,0]=4 793 B13R2.5179 c1cc2c(c(c1)Br)ncc(n2)N MB10611 [0,2,0,0,0,0|1,0,0]=3 794 B13R2.5179 c1cc2c(cc1Br)nc[nH]c2=O PB29464 [0,2,0,0,0,0|1,0,0]=3 795 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl PB17355 [0,2,0,0,0,0|1,0,0]=3 796 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl AB01392 [0,2,0,0,0,0|1,0,0]=3 797 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O PB18807 [0,2,0,0,0,0|1,0,0]=3 798 B13R2.5179 c1cc2c(cc1F)ncnc2Cl AB43869 [0,2,0,0,0,0|1,0,0]=3 799 B13R2.5179 c1cc2c(cc1F)ncnc2N CB11202 [0,2,0,0,0,0|1,0,0]=3 800 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br AB39354 [0,2,0,0,0,0|2,0,0]=4 801 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [0,2,0,0,0,0|2,0,0]=4 802 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1F AB55620 [0,2,0,0,0,0|2,0,0]=4 803 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N PB11021 [0,2,0,0,0,0|2,0,0]=4 804 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,2,0,0,0,0|0,0,1]=3 805 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,2,0,0,0,0|0,0,1]=3 806 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [0,2,0,0,0,0|0,0,0]=2 807 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [0,2,0,0,0,0|0,0,0]=2 808 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [0,2,0,0,0,0|2,0,0]=4 809 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [0,2,0,0,0,0|2,0,0]=4 810 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [0,2,0,0,0,0|2,0,0]=4 811 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [0,2,0,0,0,0|2,0,0]=4 812 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [0,2,0,0,0,0|2,0,0]=4 813 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [0,2,0,0,0,0|2,0,0]=4 814 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [0,2,0,0,0,0|2,0,0]=4 815 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [0,2,0,0,0,0|2,0,0]=4 816 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [0,2,0,0,0,0|2,0,0]=4 817 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [0,2,0,0,0,0|0,0,0]=2 818 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [0,2,0,0,0,0|0,0,0]=2 819 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [0,2,0,0,0,0|0,0,0]=2 820 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [0,2,0,0,0,0|0,0,0]=2 821 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [0,2,0,0,0,0|0,0,0]=2 822 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [0,2,0,0,0,0|0,0,0]=2 823 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [0,2,0,0,0,0|0,0,0]=2 824 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [0,2,0,0,0,0|0,0,0]=2 825 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br PB32901 [0,2,0,0,0,0|1,0,0]=3 826 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [0,2,0,0,0,0|0,0,0]=2 827 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Br AB76411 [0,2,0,0,0,0|1,0,1]=4 828 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Cl AB85042 [0,2,0,0,0,0|1,0,1]=4 829 B13R2.5179 c1cnc(c2c1cc(cn2)Br)Cl AB73781 [0,2,0,0,0,0|1,0,0]=3 830 B13R2.5179 c1cnc(c2c1cc(cn2)Cl)Cl AB73790 [0,2,0,0,0,0|1,0,0]=3 831 B13R2.5179 c1cnc(c2c1cc(cn2)F)Cl AB76841 [0,2,0,0,0,0|1,0,0]=3 832 B13R2.5179 c1cnc(c2c1nc(nc2)Cl)Cl AB85017 [0,2,0,0,0,0|2,0,0]=4 833 B13R2.5179 c1cnc2=NC(=O)CC=c2c1Br AB72525 [0,2,0,0,0,0|1,0,1]=4 834 B13R2.5179 c1cnc2cc(cnc2c1Br)Br PB19818 [0,2,0,0,0,0|1,0,0]=3 835 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br PB26720 [0,2,0,0,0,0|1,0,0]=3 836 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl PB28975 [0,2,0,0,0,0|1,0,0]=3 837 B13R2.342 C1=CN=C2C(=C1Br)=CC=NC2=O AB85032 [0,2,0,0,0,0|1,0,1]=4 838 B13R2.342 C1=CN=C2C(=C1Cl)=CC=NC2=O AB85035 [0,2,0,0,0,0|1,0,1]=4 839 B13R2.342 Cc1cccc2c1ccnc2Cl MB09763 [0,2,0,0,0,0|2,0,0]=4 840 B13R2.342 Cc1cccc2c1ccnc2O AB70070 [0,2,0,0,0,0|2,0,0]=4 841 B13R2.342 Cc1cccc2c1nccc2Cl AB05597 [0,2,0,0,0,0|0,0,0]=2 842 B13R2.342 Cc1cccc2c1nccc2N AB42078 [0,2,0,0,0,0|0,0,0]=2 843 B13R2.342 Cc1cccc2c1nccc2O AB05626 [0,2,0,0,0,0|0,0,0]=2 844 B13R2.342 Cc1ccnc2c1cccc2Br CB11612 [0,2,0,0,0,0|0,0,0]=2 845 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O MB08801 [0,2,0,0,0,0|1,0,0]=3 846 B13R2.342 c1cc2c(c(c1)Cl)nc[nH]c2=O MB08808 [0,2,0,0,0,0|1,0,0]=3 847 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br AB64049 [0,2,0,0,0,0|2,0,0]=4 848 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl AB64608 [0,2,0,0,0,0|2,0,0]=4 849 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N PB32405 [0,2,0,0,0,0|2,0,0]=4 850 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)O MB01281 [0,2,0,0,0,0|2,0,0]=4 851 B13R2.342 c1cc2c(cccc2I)c(c1)O MB05554 [0,2,0,0,0,0|1,0,0]=3 852 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br AB48461 [0,2,0,0,0,0|2,0,0]=4 853 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Cl AB64606 [0,2,0,0,0,0|2,0,0]=4 854 B13R2.342 c1cc2c(ccnc2N)c(c1)Br AB64053 [0,2,0,0,0,0|2,0,0]=4 855 B13R2.342 c1cc2c(ccnc2N)c(c1)Cl AB70043 [0,2,0,0,0,0|2,0,0]=4 856 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl AB10174 [0,2,0,0,0,0|0,0,0]=2 857 B13R2.342 c1cc2c(ccnc2c(c1)Br)N AB16996 [0,2,0,0,0,0|0,0,0]=2 858 B13R2.342 c1cc2c(ccnc2c(c1)Br)O AB05650 [0,2,0,0,0,0|0,0,0]=2 859 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br AB42130 [0,2,0,0,0,0|0,0,0]=2 860 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N AB16995 [0,2,0,0,0,0|0,0,0]=2 861 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O AB05649 [0,2,0,0,0,0|0,0,0]=2 862 B13R2.342 c1cc2c(ccnc2c(c1)F)Br AB42123 [0,2,0,0,0,0|0,0,0]=2 863 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl AB05919 [0,2,0,0,0,0|0,0,0]=2 864 B13R2.342 c1cc2c(ccnc2c(c1)F)N AB16991 [0,2,0,0,0,0|0,0,0]=2 865 B13R2.342 c1cnc(c2c1C(=O)CC=N2)Cl PB23871 [0,2,0,0,0,0|1,0,1]=4 866 B13R2.342 c1cnc(c2c1c(ccn2)Br)Cl AB73792 [0,2,0,0,0,0|1,0,0]=3 867 B13R2.342 c1cnc(c2c1c(ccn2)Cl)Cl PB19645 [0,2,0,0,0,0|1,0,0]=3 868 B13R2.342 c1cnc(c2c1c(ccn2)N)Cl AB73793 [0,2,0,0,0,0|1,0,0]=3 869 B13R2.342 c1cnc(c2c1c(ncn2)Cl)Cl AB73049 [0,2,0,0,0,0|2,0,0]=4 870 B13R2.342 c1cnc(c2c1c(ncn2)Cl)F AB73046 [0,2,0,0,0,0|2,0,0]=4 871 B13R2.371 c1cc(c2ccncc2c1N)Br AB50046 [0,2,0,0,0,0|2,0,0]=4 872 B13R2.371 c1cc2c(c(nnc2Cl)Cl)nc1 PB21674 [0,2,0,0,0,0|2,0,0]=4 873 B13R2.371 c1cc2c(ccc(c2nc1)Br)Br AB20865 [0,2,0,0,0,0|0,0,0]=2 874 B13R2.371 c1cc2c(ccc(c2nc1)N)Cl MB01218 [0,2,0,0,0,0|0,0,0]=2 875 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br PB20279 [0,2,0,0,0,0|1,0,0]=3 876 B13R2.371 c1cc2c(cnc(c2nc1)O)Br PB16196 [0,2,0,0,0,0|1,0,0]=3 877 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br MB01038 [0,2,0,0,0,0|2,0,0]=4 878 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br MB01037 [0,2,0,0,0,0|2,0,0]=4 879 B13R2.371 c1ccc2c(c1)c(cnc2N)Br MB03465 [0,2,0,0,0,0|2,0,0]=4 880 B13R2.1613 C#Cc1cccc2c1cccn2 AB42083 [0,2,0,0,0,0|0,0,0]=2 881 B13R2.1613 C#Cc1ccnc2c1cccc2 AB48498 [0,2,0,0,0,0|0,0,0]=2 882 B13R2.1613 COc1cccc2c1cncc2 AB49764 [0,2,0,0,0,0|2,0,0]=4 883 B13R2.1613 c1cc(c2c(c1)nccn2)C=O AB07315 [0,2,0,0,0,0|1,0,0]=3 884 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,2,0,0,0,0|0,0,0]=2 885 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [0,2,0,0,0,0|0,0,0]=2 886 B13R2.1613 c1cc2c(ccnc2nc1)C=O CB10875 [0,2,0,0,0,0|1,0,0]=3 887 B13R2.1613 c1cc2c(ccnc2nc1)CN AB68438 [0,2,0,0,0,0|1,0,0]=3 888 B13R2.1613 c1cc2cccnc2c(c1)NN AB07874 [0,2,0,0,0,0|0,0,0]=2 889 B13R2.1613 c1cc2ccncc2c(c1)C=O AB23484 [0,2,0,0,0,0|2,0,0]=4 890 B13R2.1613 c1cc2ccncc2c(c1)CN AB28224 [0,2,0,0,0,0|2,0,0]=4 891 B13R2.1613 c1cc2ccncc2c(c1)CO MB10361 [0,2,0,0,0,0|2,0,0]=4 892 B13R2.1613 c1cc2cncc(c2nc1)C=O AB28388 [0,2,0,0,0,0|1,0,0]=3 893 B13R2.1613 c1cc2cnccc2c(c1)C#N AB13764 [0,2,0,0,0,0|2,0,0]=4 894 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [0,2,0,0,0,0|2,0,0]=4 895 B13R2.1613 c1cc2cnccc2c(c1)CN AB56494 [0,2,0,0,0,0|2,0,0]=4 896 B13R2.1613 c1ccc2c(c1)c(ccn2)CCl AB60119 [0,2,0,0,0,0|0,0,0]=2 897 B13R2.1613 c1ccc2c(c1)c(ccn2)CN AB11064 [0,2,0,0,0,0|0,0,0]=2 898 B13R2.1613 c1ccc2c(c1)c(ccn2)CO MB01636 [0,2,0,0,0,0|0,0,0]=2 899 B13R2.1613 c1ccc2c(c1)c(ccn2)NN AB05747 [0,2,0,0,0,0|0,0,0]=2 900 B13R2.1613 c1ccc2c(c1)c(ncn2)C#N AB60723 [0,2,0,0,0,0|1,0,0]=3 901 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,2,0,0,0,0|1,0,0]=3 902 B13R2.1613 c1ccc2c(c1)c(ncn2)CN AB49444 [0,2,0,0,0,0|1,0,0]=3 903 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [0,2,0,0,0,0|2,0,0]=4 904 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,2,0,0,0,0|2,0,0]=4 905 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [0,2,0,0,0,0|2,0,0]=4 906 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [0,2,0,0,0,0|2,0,0]=4 907 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [0,2,0,0,0,0|2,0,0]=4 908 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [0,2,0,0,0,0|2,0,0]=4 909 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,2,0,0,0,0|2,0,0]=4 910 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [0,2,0,0,0,0|2,0,0]=4 911 B13R2.4818 Cc1cccc2c1c(=O)[nH]cn2 MB06116 [0,2,0,0,0,0|1,0,0]=3 912 B13R2.4818 Cc1cccc2c1c(ncc2)Cl MB13685 [0,2,0,0,0,0|2,0,0]=4 913 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl CB11066 [0,2,0,0,0,0|0,0,0]=2