0 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.20 c1cc2cccnc2nc1 AB02373 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.20 c1cc2cnccc2nc1 AB02371 [0,0,0,0,0,0|1,0,0]=1 3 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,0,0,0|0,0,2]=2 4 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,0,0,0,0|1,0,3]=4 6 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,0,0,0,0|1,0,3]=4 7 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,0,0,0,0,0|1,0,3]=4 8 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,0,0,0,0|1,0,3]=4 9 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [0,1,0,0,0,0|0,0,0]=1 15 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [0,1,0,0,0,0|0,0,0]=1 17 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [0,1,0,0,0,0|0,0,0]=1 18 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [0,1,0,0,0,0|0,0,0]=1 19 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,1,0,0,0,0|0,0,0]=1 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|3,0,0]=4 24 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,0,0,0|2,0,0]=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|3,0,0]=4 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|0,0,2]=3 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|3,0,0]=4 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|3,0,0]=4 35 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [0,1,0,0,0,0|2,0,0]=3 42 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.24 c1cc2cnccc2cc1Br PB29336 [0,1,0,0,0,0|0,0,0]=1 47 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [0,1,0,0,0,0|0,0,0]=1 48 B12R2.24 c1cc2cnccc2cc1F MB09677 [0,1,0,0,0,0|0,0,0]=1 49 B12R2.24 c1cc2cnccc2cc1I MB09307 [0,1,0,0,0,0|0,0,0]=1 50 B12R2.24 c1cc2cnccc2cc1N AB19123 [0,1,0,0,0,0|0,0,0]=1 51 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,1,0,0,0,0|0,0,0]=1 52 B12R2.24 c1cc2cncnc2cc1Br PB23522 [0,1,0,0,0,0|1,0,0]=2 53 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [0,1,0,0,0,0|1,0,0]=2 54 B12R2.24 c1cc2cncnc2cc1N AB60731 [0,1,0,0,0,0|1,0,0]=2 55 B12R2.24 c1cc2cncnc2cc1O AB60737 [0,1,0,0,0,0|1,0,0]=2 56 B12R2.24 c1cc2cnncc2cc1Br PB16069 [0,1,0,0,0,0|1,0,0]=2 57 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,1,0,0,0,0|0,0,3]=4 58 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,1,0,0,0,0|1,0,1]=3 61 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,1,0,0,0,0|2,0,0]=3 62 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,1,0,0,0,0|2,0,0]=3 64 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,1,0,0,0,0|1,0,0]=2 65 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,1,0,0,0,0|1,0,0]=2 66 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,1,0,0,0,0|3,0,0]=4 68 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,1,0,0,0,0|0,0,0]=1 69 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,1,0,0,0,0|0,0,0]=1 70 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,1,0,0,0,0|0,0,0]=1 71 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,1,0,0,0,0|0,0,0]=1 72 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,1,0,0,0,0|1,0,1]=3 73 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,1,0,0,0,0|1,0,2]=4 74 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,1,0,0,0,0|1,0,2]=4 75 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,1,0,0,0,0|1,0,2]=4 76 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,1,0,0,0,0|1,0,2]=4 77 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.1081 C1=C2=CC=NC(=O)C2=CN=C1 PB26746 [0,1,0,0,0,0|1,0,1]=3 79 B12R2.1081 C1=C2=CN=CC=C2C(=O)N=C1 AB29154 [0,1,0,0,0,0|1,0,1]=3 80 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [0,1,0,0,0,0|0,0,0]=1 81 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 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|2,0,1]=4 87 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [0,1,0,0,0,0|2,0,1]=4 88 B12R2.1081 c1cc2c(c(ccn2)Br)nc1 MB10238 [0,1,0,0,0,0|3,0,0]=4 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|1,0,1]=3 91 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [0,1,0,0,0,0|2,0,0]=3 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|3,0,0]=4 96 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [0,1,0,0,0,0|3,0,0]=4 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)ncnc2Cl PB26181 [0,1,0,0,0,0|2,0,0]=3 101 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [0,1,0,0,0,0|1,0,1]=3 102 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [0,1,0,0,0,0|2,0,0]=3 103 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [0,1,0,0,0,0|1,0,0]=2 104 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [0,1,0,0,0,0|1,0,0]=2 105 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [0,1,0,0,0,0|1,0,0]=2 106 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [0,1,0,0,0,0|0,0,0]=1 107 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,1,0,0,0,0|0,0,0]=1 108 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [0,1,0,0,0,0|1,0,0]=2 109 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [0,1,0,0,0,0|0,0,0]=1 110 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [0,1,0,0,0,0|1,0,0]=2 111 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [0,1,0,0,0,0|1,0,0]=2 112 B12R2.1081 c1cc2cnncc2c(c1)Br MB09752 [0,1,0,0,0,0|1,0,0]=2 113 B12R2.1081 c1cc2cnncc2c(c1)N AB44290 [0,1,0,0,0,0|1,0,0]=2 114 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,1,0,0,0,0|1,0,1]=3 117 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,0,0,0|0,0,3]=4 118 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,0,0,0|1,0,2]=4 119 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,0,0,0|0,0,3]=4 120 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,0,0,0|1,0,2]=4 121 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,1,0,0,0,0|2,0,0]=3 122 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,1,0,0,0,0|2,0,0]=3 123 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,1,0,0,0,0|1,0,0]=2 124 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,1,0,0,0,0|1,0,0]=2 125 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,1,0,0,0,0|0,0,0]=1 126 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,1,0,0,0,0|0,0,0]=1 127 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,1,0,0,0,0|0,0,0]=1 128 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,1,0,0,0,0|0,0,0]=1 129 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,1,0,0,0,0|1,0,0]=2 130 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,1,0,0,0,0|1,0,0]=2 133 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,1,0,0,0,0|1,0,0]=2 134 B12R2.1081 c1cnc(c2c1nccn2)Cl AB48705 [0,1,0,0,0,0|2,0,0]=3 135 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.1081 c1cnc2ccncc2c1N AB09610 [0,1,0,0,0,0|1,0,0]=2 137 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [0,1,0,0,0,0|1,0,1]=3 138 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [0,1,0,0,0,0|0,0,3]=4 139 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,1,0,0,0,0|1,0,2]=4 140 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,1,0,0,0,0|0,0,3]=4 141 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,1,0,0,0,0|1,0,2]=4 142 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,0,0,0|1,0,2]=4 143 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [0,1,0,0,0,0|1,0,0]=2 144 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [0,1,0,0,0,0|1,0,0]=2 145 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [0,1,0,0,0,0|2,0,0]=3 146 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,1,0,0,0,0|1,0,0]=2 147 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,1,0,0,0,0|2,0,0]=3 148 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [0,1,0,0,0,0|1,0,0]=2 149 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.4 Cc1ccccc1CC=O AB11813 [0,0,1,0,0,0|1,0,2]=4 151 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [0,0,1,0,0,0|3,0,0]=4 152 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,0,1,0,0,0|2,0,0]=3 154 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,1,0,0,0|1,0,2]=4 155 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,1,0,0,0|2,0,1]=4 156 B10R1.17 c1cnccc1CCC=O AB49299 [0,0,1,0,0,0|1,0,2]=4 157 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,0,1,0,0,0|1,0,2]=4 158 B10R1.20 C#Cc1ccncc1C=O AB69095 [0,0,1,0,0,0|1,0,2]=4 159 B10R1.20 C#Cc1cnccc1C=O AB69064 [0,0,1,0,0,0|1,0,2]=4 160 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.20 COc1ccncc1C=O AB17569 [0,0,1,0,0,0|2,0,1]=4 162 B10R1.20 COc1cnccc1C=O AB17541 [0,0,1,0,0,0|2,0,1]=4 163 B10R1.20 c1cncc(c1C#N)C=O AB74128 [0,0,1,0,0,0|2,0,1]=4 164 B10R1.20 c1cncc(c1C=O)C#N AB67707 [0,0,1,0,0,0|2,0,1]=4 165 B10R1.20 c1cncc(c1CCl)C=O AB69679 [0,0,1,0,0,0|2,0,1]=4 166 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [0,0,0,0,1,0|1,0,1]=3 167 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [0,0,0,0,1,0|1,0,1]=3 168 B10R2.7 C1C=C2C(=CN=N2)C=N1 PB20648 [0,0,0,0,1,0|2,0,1]=4 169 B10R2.7 C1C=C2C(=NC=N2)C=N1 PB20239 [0,0,0,0,1,0|2,0,1]=4 170 B10R2.7 C1C=C2C=NN=C2C=N1 PB27509 [0,0,0,0,1,0|2,0,1]=4 171 B10R2.7 C1C=CN=C2C1=NC=C2 PB18523 [0,0,0,0,1,0|1,0,1]=3 172 B10R2.7 C1C=CN=C2C1=NN=C2 PB32568 [0,0,0,0,1,0|2,0,1]=4 173 B10R2.7 c1c2=CCN=c2cnn1 MB09338 [0,0,0,0,1,0|2,0,1]=4 174 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [0,0,0,0,1,0|2,0,1]=4 175 B10R2.7 c1c2=NCC=c2ncn1 PB22262 [0,0,0,0,1,0|2,0,1]=4 176 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,0,0,0,1,0|2,0,0]=3 177 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,0,1,0|2,0,0]=3 178 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,0,1,0|2,0,0]=3 179 B10R2.7 c1cc2cnccn2c1 CB10529 [0,0,0,0,1,0|1,0,0]=2 180 B10R2.7 c1cc2nccn2nc1 AB42764 [0,0,0,0,1,0|2,0,0]=3 181 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,0,1,0|0,0,3]=4 182 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,0,1,0|1,0,2]=4 183 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [0,0,0,0,1,0|1,0,0]=2 184 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [0,0,0,0,1,0|2,0,0]=3 185 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [0,0,0,0,1,0|2,0,0]=3 186 B10R2.7 c1ccn2cccc2c1 AB01491 [0,0,0,0,1,0|1,0,0]=2 187 B10R2.7 c1ccn2cncc2c1 AB14043 [0,0,0,0,1,0|1,0,0]=2 188 B10R2.7 c1cn2c(cn1)ncn2 AB53018 [0,0,0,0,1,0|3,0,0]=4 189 B10R2.7 c1cn2ccnc2cn1 AB23577 [0,0,0,0,1,0|2,0,0]=3 190 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,0,1,0|2,0,1]=4 191 B10R2.7 c1cnc2ccnn2c1 PB20510 [0,0,0,0,1,0|2,0,0]=3 192 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,0,1,0|1,0,1]=3 193 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,0,1,0|1,0,1]=3 194 B10R2.7 c1cncc2c1CNC2 AB30511 [0,0,0,0,1,0|1,0,2]=4 195 B10R2.7 c1cncc2c1CNC2 PB24193 [0,0,0,0,1,0|1,0,2]=4 196 B10R2.7 c1cncc2c1ccs2 MB02036 [0,0,0,0,1,0|1,0,0]=2 197 B10R2.7 c1cncn2c1ncc2 AB55782 [0,0,0,0,1,0|2,0,0]=3 198 B10R2.7 c1cnnc2=NCC=c21 PB17814 [0,0,0,0,1,0|2,0,1]=4 199 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,1,0,0,0|1,0,0]=3 200 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,1,0,0,0|1,0,0]=3 201 B9R1.15 Cc1ccncc1C=O PB23498 [1,0,1,0,0,0|1,0,1]=4 202 B9R1.15 Cc1cnccc1C=O AB11481 [1,0,1,0,0,0|1,0,1]=4 203 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,1,0,0,0|2,0,0]=4 204 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,0,1,0,0,0|2,0,0]=4 205 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,0,1,0,0,0|2,0,0]=4 206 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,0,1,0,0,0|2,0,0]=4 207 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,0,1,0,0,0|2,0,0]=4 208 B9R1.15 c1cncc(c1C=O)F PB32422 [1,0,1,0,0,0|2,0,0]=4 209 B9R1.15 c1cncc(c1C=O)N PB20170 [1,0,1,0,0,0|2,0,0]=4 210 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,1,0,0,0|2,0,0]=4 211 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,0,1,0,0,0|2,0,0]=4 212 B9R1.15 c1cncc(c1F)C=O AB32109 [1,0,1,0,0,0|2,0,0]=4 213 B9R1.15 c1cncc(c1N)C=O AB12471 [1,0,1,0,0,0|2,0,0]=4 214 B9R1.15 c1cncc(c1N)C=O PB27639 [1,0,1,0,0,0|2,0,0]=4 215 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.81 c1cc(c(cc1Br)F)\C=N\O AB03857 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,1,0,0,0|1,0,1]=4 218 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.222 c1ccc(c(c1)\C(=N\O)\Cl)Cl AB10513 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,1,1,0,0,0|1,0,1]=4 224 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,1,1,0,0,0|1,0,1]=4 227 B11R1.265 c1c(c(c(cn1)N)C=O)C=O AB83610 [0,1,1,0,0,0|2,0,0]=4 228 B11R1.265 c1c(c(c(cn1)O)C=O)C=O AB84389 [0,1,1,0,0,0|2,0,0]=4 229 B11R1.265 c1cc(c(c(c1)O)C=O)C=O MB35004 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.265 c1cnc(c(c1C=O)C=O)N AB83700 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.265 c1cnc(c(c1C=O)C=O)O AB84490 [0,1,1,0,0,0|2,0,0]=4 232 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [0,1,0,0,1,0|0,0,1]=3 233 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,1,0,0,1,0|0,0,1]=3 234 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [0,1,0,0,1,0|1,0,1]=4 235 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [0,1,0,0,1,0|1,0,1]=4 236 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [0,1,0,0,1,0|1,0,1]=4 237 B11R2.1 C1C=C2C(=C(C=N2)Br)C=N1 PB16059 [0,1,0,0,1,0|1,0,1]=4 238 B11R2.1 C1C=C2C(=C(C=N2)I)C=N1 PB12508 [0,1,0,0,1,0|1,0,1]=4 239 B11R2.1 C1C=C2C(=CN=C2C=N1)Br AB28409 [0,1,0,0,1,0|1,0,1]=4 240 B11R2.1 C1C=C2C(=CN=C2C=N1)Br PB20950 [0,1,0,0,1,0|1,0,1]=4 241 B11R2.1 C1C=CN=C2C1=NC=C2Br PB14830 [0,1,0,0,1,0|1,0,1]=4 242 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,1,0,0,1,0|1,0,1]=4 243 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,0,1,0|1,0,1]=4 244 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,0,1,0|1,0,0]=3 245 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,1,0,0,1,0|1,0,1]=4 246 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,1,0,0,1,0|2,0,0]=4 247 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,1,0,0,1,0|2,0,0]=4 248 B11R2.1 c1cc2c(cnn2nc1)Br PB15135 [0,1,0,0,1,0|2,0,0]=4 249 B11R2.1 c1cc2ncc(n2nc1)Br PB23676 [0,1,0,0,1,0|2,0,0]=4 250 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,0,1,0|1,0,1]=4 251 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,1,0,0,1,0|1,0,0]=3 252 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,1,0,0,1,0|1,0,1]=4 253 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,0,1,0|0,0,2]=4 254 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,1,0,0,1,0|1,0,0]=3 255 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,1,0,0,1,0|1,0,0]=3 256 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,1,0,0,1,0|1,0,0]=3 257 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [0,1,0,0,1,0|1,0,0]=3 258 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [0,1,0,0,1,0|1,0,0]=3 259 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [0,1,0,0,1,0|1,0,0]=3 260 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [0,1,0,0,1,0|1,0,0]=3 261 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [0,1,0,0,1,0|1,0,0]=3 262 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [0,1,0,0,1,0|2,0,0]=4 263 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [0,1,0,0,1,0|2,0,0]=4 264 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [0,1,0,0,1,0|2,0,0]=4 265 B11R2.1 c1cn2c(c1Br)cncn2 PB35477 [0,1,0,0,1,0|2,0,0]=4 266 B11R2.1 c1cn2c(cn1)ncc2Br PB32412 [0,1,0,0,1,0|2,0,0]=4 267 B11R2.1 c1cnc2c(cnn2c1)Br PB22252 [0,1,0,0,1,0|2,0,0]=4 268 B11R2.1 c1cnc2c(cnn2c1)N PB27500 [0,1,0,0,1,0|2,0,0]=4 269 B11R2.1 c1cnc2c(cnn2c1)N PB37704 [0,1,0,0,1,0|2,0,0]=4 270 B11R2.1 c1cnc2ncc(n2c1)Br AB23077 [0,1,0,0,1,0|2,0,0]=4 271 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,1,0,0,1,0|1,0,1]=4 272 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,1,0,0,1,0|1,0,1]=4 273 B11R2.1 c1cncc2c1cnn2N MB12332 [0,1,0,0,1,0|2,0,0]=4 274 B11R2.10 C1=CC2C(=NC(=N2)I)C=C1 AB18571 [0,1,0,0,1,0|1,0,1]=4 275 B11R2.10 C1=CC2C=C(N=C2C=C1)I MB08792 [0,1,0,0,1,0|0,0,1]=3 276 B11R2.10 C1C=C2C=C(N=C2C=N1)Br AB28161 [0,1,0,0,1,0|1,0,1]=4 277 B11R2.10 C1C=C2C=C(N=C2C=N1)Cl MB09720 [0,1,0,0,1,0|1,0,1]=4 278 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [0,1,0,0,1,0|1,0,1]=4 279 B11R2.10 CC1=NC2=C(=C1)C=CN=C2 PB23513 [0,1,0,0,1,0|1,0,1]=4 280 B11R2.10 CC1=NC2=C(=C1)C=NC=C2 PB34737 [0,1,0,0,1,0|1,0,1]=4 281 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [0,1,0,0,1,0|1,0,1]=4 282 B11R2.10 Cc1cc2ncccn2n1 AB44285 [0,1,0,0,1,0|2,0,0]=4 283 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,1,0,0,1,0|1,0,0]=3 284 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,1,0,0,1,0|2,0,0]=4 285 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,1,0,0,1,0|1,0,0]=3 286 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,1,0,0,1,0|2,0,0]=4 287 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,1,0,0,1,0|2,0,0]=4 288 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,1,0,0,1,0|2,0,0]=4 289 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,1,0,0,1,0|2,0,0]=4 290 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,1,0,0,1,0|2,0,0]=4 291 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,1,0,0,1,0|2,0,0]=4 292 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,1,0,0,1,0|2,0,0]=4 293 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,1,0,0,1,0|2,0,0]=4 294 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,1,0,0,1,0|2,0,0]=4 295 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,1,0,0,1,0|0,0,2]=4 296 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,1,0,0,1,0|1,0,0]=3 297 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,1,0,0,1,0|1,0,0]=3 298 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,1,0,0,1,0|1,0,0]=3 299 B11R2.10 c1ccn2c(c1)cc(n2)Cl AB28897 [0,1,0,0,1,0|1,0,0]=3 300 B11R2.10 c1ccn2c(c1)nc(n2)Cl AB69404 [0,1,0,0,1,0|2,0,0]=4 301 B11R2.10 c1ccn2c(c1)nc(n2)N AB64641 [0,1,0,0,1,0|2,0,0]=4 302 B11R2.10 c1cn2cc(nc2cn1)Br AB61156 [0,1,0,0,1,0|2,0,0]=4 303 B11R2.10 c1cn2cc(nc2cn1)N AB76352 [0,1,0,0,1,0|2,0,0]=4 304 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,1,0,0,1,0|2,0,0]=4 305 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,1,0,0,1,0|1,0,1]=4 306 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,1,0,0,1,0|1,0,1]=4 307 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,1,0,0,1,0|2,0,0]=4 308 B11R2.10 c1cncc2c1nc(s2)N PB34487 [0,1,0,0,1,0|2,0,0]=4 309 B11R2.10 c1cncc2c1nc(s2)S AB65962 [0,1,0,0,1,0|2,0,0]=4 310 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,1,0,0,1,0|2,0,0]=4 311 B11R2.10 c1cncc2c1sc(n2)N MB05751 [0,1,0,0,1,0|2,0,0]=4 312 B11R2.10 c1cncc2c1sc(n2)S AB65960 [0,1,0,0,1,0|2,0,0]=4 313 B11R2.36 C1=C2C=NC(=O)N=C2N=C1 MB05396 [0,1,0,0,1,0|2,0,0]=4 314 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,1,0,0,1,0|0,0,1]=3 315 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,1,0,0,1,0|0,0,1]=3 316 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,1,0,0,1,0|0,0,1]=3 317 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,1,0,0,1,0|0,0,1]=3 318 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,1,0,0,1,0|0,0,1]=3 319 B11R2.36 C1C=C(C=C2C1=NC=N2)Cl MB04649 [0,1,0,0,1,0|1,0,1]=4 320 B11R2.36 C1C=C(C=C2C1=NC=N2)F AB07100 [0,1,0,0,1,0|1,0,1]=4 321 B11R2.36 C1C=C(C=C2C1=NC=N2)I AB25990 [0,1,0,0,1,0|1,0,1]=4 322 B11R2.36 C1C=C(C=C2C1=NN=C2)Br PB14191 [0,1,0,0,1,0|1,0,1]=4 323 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [0,1,0,0,1,0|1,0,1]=4 324 B11R2.36 C1C=C(C=C2C1=NN=C2)F PB29333 [0,1,0,0,1,0|1,0,1]=4 325 B11R2.36 C1C=C(C=C2C1=NN=C2)I PB10471 [0,1,0,0,1,0|1,0,1]=4 326 B11R2.36 C1C=C(C=C2C1=NN=C2)N AB01685 [0,1,0,0,1,0|1,0,1]=4 327 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,1,0,0,1,0|1,0,1]=4 328 B11R2.36 C1C=C2C(=CC=N2)N=C1Br PB22217 [0,1,0,0,1,0|1,0,1]=4 329 B11R2.36 C1C=C2C(=CC=N2)N=C1Cl PB26323 [0,1,0,0,1,0|1,0,1]=4 330 B11R2.36 C1C=C2C(=CC=N2)N=C1N AB52502 [0,1,0,0,1,0|1,0,1]=4 331 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,1,0,0,1,0|1,0,1]=4 332 B11R2.36 C1C=C2C=CN=C2C=C1Br PB27487 [0,1,0,0,1,0|0,0,1]=3 333 B11R2.36 C1C=C2C=CN=C2C=C1F PB12993 [0,1,0,0,1,0|0,0,1]=3 334 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,1,0,0,1,0|0,0,1]=3 335 B11R2.36 C1C=C2C=CN=C2N=C1Br PB21932 [0,1,0,0,1,0|1,0,1]=4 336 B11R2.36 C1C=C2C=CN=C2N=C1Cl PB21926 [0,1,0,0,1,0|1,0,1]=4 337 B11R2.36 C1C=C2C=CN=C2N=C1F PB21935 [0,1,0,0,1,0|1,0,1]=4 338 B11R2.36 C1C=C2C=CN=C2N=C1I AB26057 [0,1,0,0,1,0|1,0,1]=4 339 B11R2.36 C1C=C2C=CN=C2N=C1N AB44400 [0,1,0,0,1,0|1,0,1]=4 340 B11R2.36 C1C=C2C=CN=C2N=C1O AB44403 [0,1,0,0,1,0|1,0,1]=4 341 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,1,0,0,1,0|0,0,1]=3 342 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [0,1,0,0,1,0|1,0,1]=4 343 B11R2.36 CC1=CN=C2C=CN=C2C1 PB12030 [0,1,0,0,1,0|1,0,1]=4 344 B11R2.36 CC1=NC=C2C=CN=C2C1 PB19033 [0,1,0,0,1,0|1,0,1]=4 345 B11R2.36 Cc1cc2nccn2cn1 AB55008 [0,1,0,0,1,0|2,0,0]=4 346 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,1,0,0,1,0|0,0,1]=3 347 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,1,0,0,1,0|1,0,1]=4 348 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,1,0,0,1,0|1,0,0]=3 349 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,1,0,0,1,0|1,0,0]=3 350 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,1,0,0,1,0|1,0,1]=4 351 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [0,1,0,0,1,0|2,0,0]=4 352 B11R2.36 Cc1ccn2ccnc2n1 AB43723 [0,1,0,0,1,0|2,0,0]=4 353 B11R2.36 Cc1cnc2ccnn2c1 AB62554 [0,1,0,0,1,0|2,0,0]=4 354 B11R2.36 Cc1cnc2nccn2c1 AB55753 [0,1,0,0,1,0|2,0,0]=4 355 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [0,1,0,0,1,0|1,0,1]=4 356 B11R2.36 c1c(cnc2=CCN=c21)F PB15121 [0,1,0,0,1,0|1,0,1]=4 357 B11R2.36 c1c(cnc2=CCN=c21)I PB10729 [0,1,0,0,1,0|1,0,1]=4 358 B11R2.36 c1c(cnc2=CCN=c21)N PB22282 [0,1,0,0,1,0|1,0,1]=4 359 B11R2.36 c1c(cnc2=NCC=c21)Br PB15851 [0,1,0,0,1,0|1,0,1]=4 360 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,1,0,0,1,0|1,0,1]=4 361 B11R2.36 c1c(cnc2=NCC=c21)F PB12380 [0,1,0,0,1,0|1,0,1]=4 362 B11R2.36 c1c(cnc2=NCC=c21)I PB32449 [0,1,0,0,1,0|1,0,1]=4 363 B11R2.36 c1c(cnc2=NCC=c21)N PB34142 [0,1,0,0,1,0|1,0,1]=4 364 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,1,0,0,1,0|1,0,1]=4 365 B11R2.36 c1c(cnc2c1nco2)Br AB40951 [0,1,0,0,1,0|2,0,0]=4 366 B11R2.36 c1c(cnc2c1nco2)Cl AB41016 [0,1,0,0,1,0|2,0,0]=4 367 B11R2.36 c1c(cnc2c1ncs2)Br AB40947 [0,1,0,0,1,0|2,0,0]=4 368 B11R2.36 c1c(cnc2c1ncs2)Cl AB41013 [0,1,0,0,1,0|2,0,0]=4 369 B11R2.36 c1c2=CCN=c2cnc1Br PB17911 [0,1,0,0,1,0|1,0,1]=4 370 B11R2.36 c1c2=CCN=c2cnc1Cl PB34486 [0,1,0,0,1,0|1,0,1]=4 371 B11R2.36 c1c2=CCN=c2cnc1N PB12201 [0,1,0,0,1,0|1,0,1]=4 372 B11R2.36 c1c2=NCC=c2cnc1Br PB10582 [0,1,0,0,1,0|1,0,1]=4 373 B11R2.36 c1c2=NCC=c2cnc1Cl PB22198 [0,1,0,0,1,0|1,0,1]=4 374 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,1,0,0,1,0|1,0,0]=3 375 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,1,0,0,1,0|1,0,0]=3 376 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,1,0,0,1,0|1,0,0]=3 377 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,1,0,0,1,0|1,0,0]=3 378 B11R2.36 c1cc(cn2c1ccn2)Br PB33438 [0,1,0,0,1,0|1,0,0]=3 379 B11R2.36 c1cc(nc2c1nco2)Br AB77477 [0,1,0,0,1,0|2,0,0]=4 380 B11R2.36 c1cc(nc2c1nco2)Cl AB77475 [0,1,0,0,1,0|2,0,0]=4 381 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,1,0,0,1,0|2,0,0]=4 382 B11R2.36 c1cc(nn2c1ncc2)Br PB16486 [0,1,0,0,1,0|2,0,0]=4 383 B11R2.36 c1cc(nn2c1ncc2)Cl PB24991 [0,1,0,0,1,0|2,0,0]=4 384 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,1,0,0,1,0|1,0,0]=3 385 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,1,0,0,1,0|1,0,0]=3 386 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,1,0,0,1,0|1,0,0]=3 387 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,1,0,0,1,0|1,0,0]=3 388 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,1,0,0,1,0|1,0,0]=3 389 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,1,0,0,1,0|1,0,0]=3 390 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,1,0,0,1,0|1,0,0]=3 391 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,1,0,0,1,0|1,0,0]=3 392 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,1,0,0,1,0|1,0,0]=3 393 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,0,1,0|1,0,0]=3 394 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,1,0,0,1,0|1,0,0]=3 395 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,1,0,0,1,0|1,0,0]=3 396 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,1,0,0,1,0|1,0,0]=3 397 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,1,0,0,1,0|1,0,0]=3 398 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,1,0,0,1,0|1,0,0]=3 399 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,1,0,0,1,0|1,0,0]=3 400 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,1,0,0,1,0|1,0,0]=3 401 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,1,0,0,1,0|1,0,0]=3 402 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,1,0,0,1,0|1,0,0]=3 403 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,1,0,0,1,0|1,0,0]=3 404 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,1,0,0,1,0|1,0,0]=3 405 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,1,0,0,1,0|1,0,0]=3 406 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,1,0,0,1,0|1,0,0]=3 407 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,1,0,0,1,0|1,0,0]=3 408 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,1,0,0,1,0|1,0,0]=3 409 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,1,0,0,1,0|1,0,0]=3 410 B11R2.36 c1cc2cnc(nn2c1)Cl PB38914 [0,1,0,0,1,0|2,0,0]=4 411 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,1,0,0,1,0|1,0,0]=3 412 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,0,1,0|1,0,0]=3 413 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,1,0,0,1,0|1,0,0]=3 414 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,1,0,0,1,0|1,0,0]=3 415 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,1,0,0,1,0|1,0,0]=3 416 B11R2.36 c1cc2conc2cc1Br MB19398 [0,1,0,0,1,0|1,0,0]=3 417 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,1,0,0,1,0|1,0,0]=3 418 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,1,0,0,1,0|1,0,0]=3 419 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,1,0,0,1,0|1,0,0]=3 420 B11R2.36 c1cc2nccn2cc1N PB12399 [0,1,0,0,1,0|1,0,0]=3 421 B11R2.36 c1cc2nccn2cc1O AB28902 [0,1,0,0,1,0|1,0,0]=3 422 B11R2.36 c1cc2nccn2nc1N AB61144 [0,1,0,0,1,0|2,0,0]=4 423 B11R2.36 c1cc2ncnn2cc1Br PB12540 [0,1,0,0,1,0|2,0,0]=4 424 B11R2.36 c1cc2nncn2cc1Br PB10571 [0,1,0,0,1,0|2,0,0]=4 425 B11R2.36 c1cn2c(cc1Br)cnn2 MB09890 [0,1,0,0,1,0|2,0,0]=4 426 B11R2.36 c1cn2c(cc1Br)ncn2 PB32891 [0,1,0,0,1,0|2,0,0]=4 427 B11R2.36 c1cn2cc(cnc2n1)Br PB14681 [0,1,0,0,1,0|2,0,0]=4 428 B11R2.36 c1cn2cc(cnc2n1)Cl AB56410 [0,1,0,0,1,0|2,0,0]=4 429 B11R2.36 c1cn2cc(cnc2n1)N AB56414 [0,1,0,0,1,0|2,0,0]=4 430 B11R2.36 c1cn2cc(ncc2n1)Br PB23663 [0,1,0,0,1,0|2,0,0]=4 431 B11R2.36 c1cn2cc(ncc2n1)Cl AB54752 [0,1,0,0,1,0|2,0,0]=4 432 B11R2.36 c1cn2ccnc2cc1Br PB30948 [0,1,0,0,1,0|1,0,0]=3 433 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [0,1,0,0,1,0|1,0,0]=3 434 B11R2.36 c1cn2ccnc2cc1N PB20545 [0,1,0,0,1,0|1,0,0]=3 435 B11R2.36 c1cn2ccnc2nc1Cl AB61250 [0,1,0,0,1,0|2,0,0]=4 436 B11R2.36 c1cn2cnnc2cc1Br PB16252 [0,1,0,0,1,0|2,0,0]=4 437 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [0,1,0,0,1,0|2,0,0]=4 438 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,1,0,0,1,0|1,0,0]=3 439 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,1,0,0,1,0|1,0,0]=3 440 B11R2.36 c1cnn2c1nc(cc2)Cl PB23376 [0,1,0,0,1,0|2,0,0]=4 441 B11R2.36 c1cnn2c1nc(cc2)I PB28294 [0,1,0,0,1,0|2,0,0]=4 442 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,1,0,0,1,0|2,0,0]=4 443 B11R2.36 c1cnn2c1ncc(c2)Br PB23680 [0,1,0,0,1,0|2,0,0]=4 444 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,1,0,0,1,0|2,0,0]=4 445 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,1,0,0,1,0|2,0,0]=4 446 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,1,0,0,1,0|1,0,0]=3 447 B11R2.36 c1csc2c1cnc(n2)Cl PB11077 [0,1,0,0,1,0|2,0,0]=4 448 B11R2.36 c1csc2c1nc(nc2)Cl PB17979 [0,1,0,0,1,0|2,0,0]=4 449 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [0,1,0,0,1,0|2,0,0]=4 450 B11R2.106 C1=C2C(=NC=NC2=O)N=C1 PB29165 [0,1,0,0,1,0|2,0,0]=4 451 B11R2.106 C1=CN=C2C1=NC=NC2=O PB28030 [0,1,0,0,1,0|2,0,0]=4 452 B11R2.106 C1=COC2C1=CC=NC2=O PB32246 [0,1,0,0,1,0|1,0,1]=4 453 B11R2.106 C1C=CC(=C2C1=NC=C2)Br PB10160 [0,1,0,0,1,0|0,0,1]=3 454 B11R2.106 C1C=CC(=C2C1=NC=C2)Cl AB00468 [0,1,0,0,1,0|0,0,1]=3 455 B11R2.106 C1C=CC(=C2C1=NC=C2)F PB20892 [0,1,0,0,1,0|0,0,1]=3 456 B11R2.106 C1C=CC(=C2C1=NC=C2)O AB00472 [0,1,0,0,1,0|0,0,1]=3 457 B11R2.106 C1C=CC(=C2C1=NN=C2)Br PB12348 [0,1,0,0,1,0|1,0,1]=4 458 B11R2.106 C1C=CC(=C2C1=NN=C2)Cl PB29043 [0,1,0,0,1,0|1,0,1]=4 459 B11R2.106 C1C=CC(=C2C1=NN=C2)F PB12462 [0,1,0,0,1,0|1,0,1]=4 460 B11R2.106 C1C=CC(=C2C1=NN=C2)I PB27826 [0,1,0,0,1,0|1,0,1]=4 461 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [0,1,0,0,1,0|1,0,1]=4 462 B11R2.106 C1C=C[N+](=C2C1=NC=C2)[O-] PB26857 [0,1,0,0,1,0|1,0,1]=4 463 B11R2.106 CC1=C2C(=CC=N2)C=CC1 AB00504 [0,1,0,0,1,0|0,0,1]=3 464 B11R2.106 CC1=C2C(=CC=N2)N=CC1 PB26696 [0,1,0,0,1,0|1,0,1]=4 465 B11R2.106 CC1=C2C(=CN=N2)C=CC1 MB03490 [0,1,0,0,1,0|1,0,1]=4 466 B11R2.106 CC1=C2C=CN=C2C=CC1 AB00476 [0,1,0,0,1,0|0,0,1]=3 467 B11R2.106 CC1=C2C=CN=C2N=CC1 PB19900 [0,1,0,0,1,0|1,0,1]=4 468 B11R2.106 CC1=C2C=NN=C2C=CC1 MB03676 [0,1,0,0,1,0|1,0,1]=4 469 B11R2.106 Cc1c2cccn2ccn1 AB52834 [0,1,0,0,1,0|1,0,0]=3 470 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,0,1,0|1,0,0]=3 471 B11R2.106 c1c2=CCN=c2c(cn1)Br PB15912 [0,1,0,0,1,0|1,0,1]=4 472 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,1,0,0,1,0|1,0,1]=4 473 B11R2.106 c1c2=CCN=c2c(cn1)F PB30026 [0,1,0,0,1,0|1,0,1]=4 474 B11R2.106 c1c2=NCC=c2c(cn1)Br PB31599 [0,1,0,0,1,0|1,0,1]=4 475 B11R2.106 c1c2=NCC=c2c(cn1)Cl PB15239 [0,1,0,0,1,0|1,0,1]=4 476 B11R2.106 c1c2=NCC=c2c(cn1)F PB37419 [0,1,0,0,1,0|1,0,1]=4 477 B11R2.106 c1c2c(cs1)ncnc2Cl AB63955 [0,1,0,0,1,0|2,0,0]=4 478 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [0,1,0,0,1,0|1,0,1]=4 479 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [0,1,0,0,1,0|1,0,0]=3 480 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,1,0,0,1,0|1,0,0]=3 481 B11R2.106 c1cc(c2nccn2c1)Br PB14615 [0,1,0,0,1,0|1,0,0]=3 482 B11R2.106 c1cc(c2nccn2c1)Br PB38167 [0,1,0,0,1,0|1,0,0]=3 483 B11R2.106 c1cc(c2nccn2c1)N PB32476 [0,1,0,0,1,0|1,0,0]=3 484 B11R2.106 c1cc(c2ncnn2c1)Br PB19103 [0,1,0,0,1,0|2,0,0]=4 485 B11R2.106 c1cc(c2nncn2c1)Br PB29098 [0,1,0,0,1,0|2,0,0]=4 486 B11R2.106 c1cc(n2ccnc2c1)N PB21879 [0,1,0,0,1,0|1,0,0]=3 487 B11R2.106 c1cc2c(=O)[nH]ccn2c1 PB13162 [0,1,0,0,1,0|1,0,1]=4 488 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,1,0,0,1,0|1,0,0]=3 489 B11R2.106 c1cc2c(c(c1)Br)scn2 PB17880 [0,1,0,0,1,0|1,0,0]=3 490 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,1,0,0,1,0|1,0,0]=3 491 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,1,0,0,1,0|1,0,0]=3 492 B11R2.106 c1cc2c(ccnn2c1)N PB18284 [0,1,0,0,1,0|2,0,0]=4 493 B11R2.106 c1cc2c(cco2)[n+](c1)[O-] CB11844 [0,1,0,0,1,0|2,0,0]=4 494 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [0,1,0,0,1,0|1,0,0]=3 495 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [0,1,0,0,1,0|1,0,0]=3 496 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [0,1,0,0,1,0|1,0,0]=3 497 B11R2.106 c1cc2c(nccn2c1)Cl PB10727 [0,1,0,0,1,0|1,0,0]=3 498 B11R2.106 c1cc2c(ncnn2c1)Cl PB19155 [0,1,0,0,1,0|2,0,0]=4 499 B11R2.106 c1cc2c(ncnn2c1)N PB17489 [0,1,0,0,1,0|2,0,0]=4 500 B11R2.106 c1cc2ccnc(n2c1)Cl AB53391 [0,1,0,0,1,0|1,0,0]=3 501 B11R2.106 c1cc2ccnn2c(c1)Br AB28896 [0,1,0,0,1,0|1,0,0]=3 502 B11R2.106 c1cc2ccnn2c(c1)I AB48943 [0,1,0,0,1,0|1,0,0]=3 503 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,1,0,0,1,0|1,0,0]=3 504 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,1,0,0,1,0|1,0,0]=3 505 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [0,1,0,0,1,0|1,0,0]=3 506 B11R2.106 c1cc2cncn2c(c1)Br AB28894 [0,1,0,0,1,0|1,0,0]=3 507 B11R2.106 c1cc2cncn2c(c1)I AB68521 [0,1,0,0,1,0|1,0,0]=3 508 B11R2.106 c1cc2nccn2c(c1)Br PB32607 [0,1,0,0,1,0|1,0,0]=3 509 B11R2.106 c1cc2nccn2c(c1)Cl AB61232 [0,1,0,0,1,0|1,0,0]=3 510 B11R2.106 c1cc2ncnn2c(c1)Br PB14838 [0,1,0,0,1,0|2,0,0]=4 511 B11R2.106 c1cc2nncn2c(c1)Br PB16306 [0,1,0,0,1,0|2,0,0]=4 512 B11R2.106 c1cn2ccnc(c2n1)Cl PB29694 [0,1,0,0,1,0|2,0,0]=4 513 B11R2.106 c1cn2ccnc2c(n1)N AB53126 [0,1,0,0,1,0|2,0,0]=4 514 B11R2.106 c1cn2cncc2c(n1)N AB53142 [0,1,0,0,1,0|2,0,0]=4 515 B11R2.106 c1cnc(c2=CCN=c21)Br PB25087 [0,1,0,0,1,0|1,0,1]=4 516 B11R2.106 c1cnc(c2=NCC=c21)Br PB14366 [0,1,0,0,1,0|1,0,1]=4 517 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,1,0,0,1,0|1,0,1]=4 518 B11R2.106 c1cnc(c2=NCC=c21)N AB52926 [0,1,0,0,1,0|1,0,1]=4 519 B11R2.106 c1cnc(c2c1cco2)Cl PB14748 [0,1,0,0,1,0|1,0,0]=3 520 B11R2.106 c1cnc(c2c1cco2)N AB52921 [0,1,0,0,1,0|1,0,0]=3 521 B11R2.106 c1cnc(c2c1ccs2)Cl PB10318 [0,1,0,0,1,0|1,0,0]=3 522 B11R2.106 c1cnc(c2c1ccs2)N PB25207 [0,1,0,0,1,0|1,0,0]=3 523 B11R2.106 c1cnc(c2c1ncs2)Cl PB28427 [0,1,0,0,1,0|2,0,0]=4 524 B11R2.106 c1cnc(c2c1occ2)N AB52908 [0,1,0,0,1,0|1,0,0]=3 525 B11R2.106 c1cnc(c2c1onc2)Cl AB71663 [0,1,0,0,1,0|2,0,0]=4 526 B11R2.106 c1cnc(c2c1scc2)Cl PB27550 [0,1,0,0,1,0|1,0,0]=3 527 B11R2.106 c1cnc2=CCN=c2c1Br PB10981 [0,1,0,0,1,0|1,0,1]=4 528 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,1,0,0,1,0|1,0,1]=4 529 B11R2.106 c1cnc2=CCN=c2c1F PB25681 [0,1,0,0,1,0|1,0,1]=4 530 B11R2.106 c1cnc2=NCC=c2c1Br PB31039 [0,1,0,0,1,0|1,0,1]=4 531 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,1,0,0,1,0|1,0,1]=4 532 B11R2.106 c1cnc2=NCC=c2c1F PB15996 [0,1,0,0,1,0|1,0,1]=4 533 B11R2.106 c1cnc2=NCC=c2c1N PB25081 [0,1,0,0,1,0|1,0,1]=4 534 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,1,0,0,1,0|1,0,1]=4 535 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [0,1,0,0,1,0|2,0,0]=4 536 B11R2.106 c1cnc2ccoc2c1Cl PB22739 [0,1,0,0,1,0|2,0,0]=4 537 B11R2.106 c1cnc2ccsc2c1Cl PB17528 [0,1,0,0,1,0|2,0,0]=4 538 B11R2.106 c1cnc2ccsc2c1N MB06918 [0,1,0,0,1,0|2,0,0]=4 539 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,1,0,0,1,0|2,0,0]=4 540 B11R2.106 c1cnc2nccn2c1Cl AB61265 [0,1,0,0,1,0|2,0,0]=4 541 B11R2.106 c1cnn2c1c(ncc2)Cl AB72522 [0,1,0,0,1,0|2,0,0]=4 542 B11R2.106 c1cnn2c1nccc2Cl PB27621 [0,1,0,0,1,0|2,0,0]=4 543 B11R2.106 c1cnn2c1nccc2O AB16977 [0,1,0,0,1,0|2,0,0]=4 544 B11R2.106 c1cnn2ccnc2c1N PB38542 [0,1,0,0,1,0|2,0,0]=4 545 B11R2.106 c1coc2c1c(ncn2)Cl PB28041 [0,1,0,0,1,0|2,0,0]=4 546 B11R2.106 c1coc2c1c(ncn2)N PB20409 [0,1,0,0,1,0|2,0,0]=4 547 B11R2.106 c1coc2c1ncnc2Cl PB17670 [0,1,0,0,1,0|2,0,0]=4 548 B11R2.106 c1coc2c1ncnc2O AB52914 [0,1,0,0,1,0|2,0,0]=4 549 B11R2.106 c1csc2c1c(cnc2)Cl MB08838 [0,1,0,0,1,0|1,0,0]=3 550 B11R2.106 c1csc2c1c(ncn2)Cl PB14219 [0,1,0,0,1,0|2,0,0]=4 551 B11R2.106 c1csc2c1ncnc2Cl PB24607 [0,1,0,0,1,0|2,0,0]=4 552 B11R2.106 c1csc2c1ncnc2N AB52930 [0,1,0,0,1,0|2,0,0]=4 553 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [0,2,0,0,0,0|2,0,0]=4 554 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [0,2,0,0,0,0|2,0,0]=4 555 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [0,2,0,0,0,0|2,0,0]=4 556 B13R2.32 c1ccc2c(c1)c(=O)n(nn2)O CB10152 [0,2,0,0,0,0|2,0,0]=4 557 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,2,0,0,0,0|1,0,0]=3 558 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,2,0,0,0,0|1,0,0]=3 559 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,2,0,0,0,0|1,0,0]=3 560 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,2,0,0,0,0|0,0,0]=2 561 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [0,2,0,0,0,0|2,0,0]=4 562 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [0,2,0,0,0,0|2,0,0]=4 563 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [0,2,0,0,0,0|2,0,0]=4 564 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,2,0,0,0,0|2,0,0]=4 565 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,2,0,0,0,0|2,0,0]=4 566 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,2,0,0,0,0|0,0,0]=2 567 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [0,2,0,0,0,0|0,0,0]=2 568 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,2,0,0,0,0|0,0,0]=2 569 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [0,2,0,0,0,0|0,0,0]=2 570 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,2,0,0,0,0|2,0,0]=4 571 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [0,2,0,0,0,0|2,0,0]=4 572 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [0,2,0,0,0,0|2,0,0]=4 573 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,2,0,0,0,0|2,0,0]=4 574 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [0,2,0,0,0,0|0,0,0]=2 575 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,2,0,0,0,0|0,0,0]=2 576 B13R2.57 c1cc2cnccc2cc1CN MB08771 [0,2,0,0,0,0|0,0,0]=2 577 B13R2.57 c1cc2cnccc2cc1CO MB09755 [0,2,0,0,0,0|0,0,0]=2 578 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N AB04718 [0,2,0,0,0,0|2,0,0]=4 579 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,2,0,0,0,0|2,0,0]=4 580 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,2,0,0,0,0|2,0,0]=4 581 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [0,2,0,0,0,0|2,0,0]=4 582 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [0,2,0,0,0,0|2,0,0]=4 583 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,2,0,0,0,0|2,0,0]=4 584 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [0,2,0,0,0,0|2,0,0]=4 585 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [0,2,0,0,0,0|2,0,0]=4 586 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,2,0,0,0,0|1,0,0]=3 587 B13R2.57 c1ccc2c(c1)cnc(n2)CCl AB68878 [0,2,0,0,0,0|1,0,0]=3 588 B13R2.57 c1ccc2c(c1)cnc(n2)CN AB59130 [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|0,0,0]=2 591 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,2,0,0,0,0|0,0,0]=2 592 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [0,2,0,0,0,0|1,0,0]=3 593 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [0,2,0,0,0,0|2,0,0]=4 594 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,2,0,0,0,0|0,0,1]=3 595 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,2,0,0,0,0|2,0,0]=4 596 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [0,2,0,0,0,0|2,0,0]=4 597 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [0,2,0,0,0,0|2,0,0]=4 598 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|2,0,0]=4 601 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [0,2,0,0,0,0|2,0,0]=4 602 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [0,2,0,0,0,0|2,0,0]=4 603 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [0,2,0,0,0,0|2,0,0]=4 604 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [0,2,0,0,0,0|2,0,0]=4 605 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [0,2,0,0,0,0|2,0,0]=4 606 B13R2.155 c1cc(nc2c1cnc(c2)Cl)Cl AB85050 [0,2,0,0,0,0|1,0,0]=3 607 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [0,2,0,0,0,0|2,0,0]=4 608 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [0,2,0,0,0,0|2,0,0]=4 609 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [0,2,0,0,0,0|0,0,0]=2 610 B13R2.155 c1cc2cnc(nc2cc1Br)Cl PB10831 [0,2,0,0,0,0|1,0,0]=3 611 B13R2.155 c1cc2cnc(nc2cc1F)Cl CB11528 [0,2,0,0,0,0|1,0,0]=3 612 B13R2.155 c1cc2cnc(nc2cc1F)N CB11238 [0,2,0,0,0,0|1,0,0]=3 613 B13R2.162 C1=C2=CN=C(C=C2C(=O)N=C1)Cl AB84995 [0,2,0,0,0,0|1,0,1]=4 614 B13R2.162 C1=C2=NC=C(C=C2C(=O)N=C1)Br PB30293 [0,2,0,0,0,0|1,0,1]=4 615 B13R2.162 C1=C2=NC=C(C=C2C(=O)N=C1)Cl AB85009 [0,2,0,0,0,0|1,0,1]=4 616 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [0,2,0,0,0,0|2,0,0]=4 617 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [0,2,0,0,0,0|2,0,0]=4 618 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [0,2,0,0,0,0|2,0,0]=4 619 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl AB15706 [0,2,0,0,0,0|1,0,0]=3 620 B13R2.162 Cc1ccc2c(n1)c(ncn2)Cl AB73150 [0,2,0,0,0,0|2,0,0]=4 621 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [0,2,0,0,0,0|0,0,1]=3 622 B13R2.162 Cc1ccc2cc[nH]c(=O)c2n1 AB76636 [0,2,0,0,0,0|1,0,1]=4 623 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [0,2,0,0,0,0|2,0,0]=4 624 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [0,2,0,0,0,0|0,0,0]=2 625 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [0,2,0,0,0,0|2,0,0]=4 626 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [0,2,0,0,0,0|2,0,0]=4 627 B13R2.162 c1c(cnc2c1c(ncn2)Cl)Br PB17770 [0,2,0,0,0,0|2,0,0]=4 628 B13R2.162 c1c2c(cnc1Cl)ncnc2Cl AB62944 [0,2,0,0,0,0|2,0,0]=4 629 B13R2.162 c1c2c(cnc1F)ncnc2Cl AB49479 [0,2,0,0,0,0|2,0,0]=4 630 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Br AB10173 [0,2,0,0,0,0|0,0,1]=3 631 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Cl AB42150 [0,2,0,0,0,0|0,0,1]=3 632 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [0,2,0,0,0,0|0,0,0]=2 633 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [0,2,0,0,0,0|0,0,0]=2 634 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [0,2,0,0,0,0|0,0,0]=2 635 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [0,2,0,0,0,0|0,0,0]=2 636 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [0,2,0,0,0,0|0,0,0]=2 637 B13R2.162 c1cc(nc2c1cc[nH]c2=O)Br AB85018 [0,2,0,0,0,0|1,0,1]=4 638 B13R2.162 c1cc(nc2c1ccnc2Cl)Br AB73782 [0,2,0,0,0,0|1,0,0]=3 639 B13R2.162 c1cc(nc2c1ccnc2Cl)Cl AB73789 [0,2,0,0,0,0|1,0,0]=3 640 B13R2.162 c1cc(nc2c1ccnc2O)Br AB73785 [0,2,0,0,0,0|1,0,0]=3 641 B13R2.162 c1cc(nc2c1ccnc2O)Cl AB73786 [0,2,0,0,0,0|1,0,0]=3 642 B13R2.162 c1cc(nc2c1ncnc2Cl)Cl PB19186 [0,2,0,0,0,0|2,0,0]=4 643 B13R2.162 c1cc(nc2c1ncnc2Cl)F AB70525 [0,2,0,0,0,0|2,0,0]=4 644 B13R2.162 c1cc2c(cc1Br)c(=O)[nH]cn2 AB21786 [0,2,0,0,0,0|1,0,1]=4 645 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [0,2,0,0,0,0|2,0,0]=4 646 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [0,2,0,0,0,0|2,0,0]=4 647 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [0,2,0,0,0,0|2,0,0]=4 648 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl PB32280 [0,2,0,0,0,0|1,0,0]=3 649 B13R2.162 c1cc2c(cc1Br)c(ncn2)N AB11598 [0,2,0,0,0,0|1,0,0]=3 650 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [0,2,0,0,0,0|2,0,0]=4 651 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [0,2,0,0,0,0|2,0,0]=4 652 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [0,2,0,0,0,0|2,0,0]=4 653 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl AB03250 [0,2,0,0,0,0|1,0,0]=3 654 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [0,2,0,0,0,0|1,0,0]=3 655 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 CB11390 [0,2,0,0,0,0|1,0,1]=4 656 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [0,2,0,0,0,0|2,0,0]=4 657 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [0,2,0,0,0,0|2,0,0]=4 658 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [0,2,0,0,0,0|2,0,0]=4 659 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl AB42372 [0,2,0,0,0,0|1,0,0]=3 660 B13R2.162 c1cc2c(cc1F)c(ncn2)N CB11608 [0,2,0,0,0,0|1,0,0]=3 661 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 PB31146 [0,2,0,0,0,0|2,0,0]=4 662 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 PB18488 [0,2,0,0,0,0|1,0,1]=4 663 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl PB19952 [0,2,0,0,0,0|1,0,0]=3 664 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 AB07313 [0,2,0,0,0,0|1,0,1]=4 665 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [0,2,0,0,0,0|1,0,0]=3 666 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [0,2,0,0,0,0|2,0,0]=4 667 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [0,2,0,0,0,0|2,0,0]=4 668 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [0,2,0,0,0,0|2,0,0]=4 669 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [0,2,0,0,0,0|2,0,0]=4 670 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [0,2,0,0,0,0|2,0,0]=4 671 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [0,2,0,0,0,0|2,0,0]=4 672 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl PB34557 [0,2,0,0,0,0|1,0,0]=3 673 B13R2.162 c1cc2cnnc(c2cc1Br)Cl AB69653 [0,2,0,0,0,0|1,0,0]=3 674 B13R2.162 c1cnc(c2c1ncc(c2)Br)Cl PB22921 [0,2,0,0,0,0|1,0,0]=3 675 B13R2.162 c1cnc(c2c1ncc(c2)N)Cl AB73820 [0,2,0,0,0,0|1,0,0]=3 676 B13R2.162 c1cnc(c2c1ncc(c2)N)O AB73821 [0,2,0,0,0,0|1,0,0]=3 677 B13R2.328 CC1=NC(=O)C2=C(=C1)C=CC=C2 MB02879 [0,2,0,0,0,0|0,0,1]=3 678 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [0,2,0,0,0,0|2,0,0]=4 679 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [0,2,0,0,0,0|2,0,0]=4 680 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [0,2,0,0,0,0|2,0,0]=4 681 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [0,2,0,0,0,0|1,0,0]=3 682 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 PB22455 [0,2,0,0,0,0|2,0,0]=4 683 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 PB34610 [0,2,0,0,0,0|1,0,0]=3 684 B13R2.328 c1cc2c(nc1)nc(nc2Cl)Cl PB22043 [0,2,0,0,0,0|2,0,0]=4 685 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [0,2,0,0,0,0|2,0,0]=4 686 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [0,2,0,0,0,0|2,0,0]=4 687 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,2,0,0,0,0|0,0,2]=4 688 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N AB10668 [0,2,0,0,0,0|1,0,1]=4 689 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,2,0,0,0,0|2,0,0]=4 690 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [0,2,0,0,0,0|2,0,0]=4 691 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [0,2,0,0,0,0|2,0,0]=4 692 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [0,2,0,0,0,0|2,0,0]=4 693 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [0,2,0,0,0,0|2,0,0]=4 694 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [0,2,0,0,0,0|2,0,0]=4 695 B13R2.328 c1ccc2c(c1)c(nc(n2)Br)Br MB08185 [0,2,0,0,0,0|1,0,0]=3 696 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl AB03291 [0,2,0,0,0,0|1,0,0]=3 697 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N AB43584 [0,2,0,0,0,0|1,0,0]=3 698 B13R2.328 c1ccc2c(c1)c(nc(n2)N)Cl AB60762 [0,2,0,0,0,0|1,0,0]=3 699 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,2,0,0,0,0|0,0,0]=2 700 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,2,0,0,0,0|0,0,0]=2 701 B13R2.328 c1ccc2c(c1)nc(n[n+]2[O-])N MB00333 [0,2,0,0,0,0|2,0,0]=4 702 B13R2.328 c1cncc2c1c(=O)[nH]c(=O)[nH]2 MB04667 [0,2,0,0,0,0|2,0,0]=4 703 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl PB16298 [0,2,0,0,0,0|2,0,0]=4 704 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,2,0,0,0,0|2,0,0]=4 705 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,2,0,0,0,0|2,0,0]=4 706 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,2,0,0,0,0|2,0,0]=4 707 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,2,0,0,0,0|2,0,0]=4 708 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,2,0,0,0,0|1,0,0]=3 709 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,2,0,0,0,0|1,0,0]=3 710 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,2,0,0,0,0|2,0,0]=4 711 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [0,2,0,0,0,0|2,0,0]=4 712 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [0,2,0,0,0,0|2,0,0]=4 713 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [0,2,0,0,0,0|1,0,0]=3 714 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [0,2,0,0,0,0|2,0,0]=4 715 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [0,2,0,0,0,0|2,0,0]=4 716 B13R2.3683 c1c2cnc(nc2ncc1Br)Cl PB16615 [0,2,0,0,0,0|2,0,0]=4 717 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [0,2,0,0,0,0|2,0,0]=4 718 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [0,2,0,0,0,0|2,0,0]=4 719 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [0,2,0,0,0,0|2,0,0]=4 720 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [0,2,0,0,0,0|0,0,0]=2 721 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [0,2,0,0,0,0|0,0,0]=2 722 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [0,2,0,0,0,0|0,0,0]=2 723 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [0,2,0,0,0,0|2,0,0]=4 724 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [0,2,0,0,0,0|2,0,0]=4 725 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [0,2,0,0,0,0|2,0,0]=4 726 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [0,2,0,0,0,0|2,0,0]=4 727 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [0,2,0,0,0,0|2,0,0]=4 728 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [0,2,0,0,0,0|2,0,0]=4 729 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [0,2,0,0,0,0|2,0,0]=4 730 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [0,2,0,0,0,0|2,0,0]=4 731 B13R2.3683 c1cc(nc2c1nc(nc2)Cl)Cl AB68433 [0,2,0,0,0,0|2,0,0]=4 732 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,2,0,0,0,0|2,0,0]=4 733 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,2,0,0,0,0|2,0,0]=4 734 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,2,0,0,0,0|2,0,0]=4 735 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,2,0,0,0,0|2,0,0]=4 736 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [0,2,0,0,0,0|1,0,0]=3 737 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [0,2,0,0,0,0|1,0,0]=3 738 B13R2.3683 c1cc2c(cc1Br)nnc(n2)N MB09368 [0,2,0,0,0,0|2,0,0]=4 739 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [0,2,0,0,0,0|1,0,0]=3 740 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [0,2,0,0,0,0|2,0,0]=4 741 B13R2.3683 c1cc2c(cc1F)nnc(n2)N MB00339 [0,2,0,0,0,0|2,0,0]=4 742 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [0,2,0,0,0,0|2,0,0]=4 743 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Br AB85026 [0,2,0,0,0,0|1,0,1]=4 744 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Cl AB85029 [0,2,0,0,0,0|1,0,1]=4 745 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)F AB85030 [0,2,0,0,0,0|1,0,1]=4 746 B13R2.5179 C1=C2=CC(=NC=C2C(=O)N=C1)Br AB73834 [0,2,0,0,0,0|1,0,1]=4 747 B13R2.5179 C1=C2=CC(=NC=C2C(=O)N=C1)Cl AB73827 [0,2,0,0,0,0|1,0,1]=4 748 B13R2.5179 Cc1cc2cc[nH]c(=O)c2cn1 AB64229 [0,2,0,0,0,0|1,0,0]=3 749 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [0,2,0,0,0,0|0,0,0]=2 750 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [0,2,0,0,0,0|0,0,0]=2 751 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [0,2,0,0,0,0|0,0,0]=2 752 B13R2.5179 Cc1ccc2c(c1)nc[nH]c2=O MB08805 [0,2,0,0,0,0|1,0,1]=4 753 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl AB59114 [0,2,0,0,0,0|1,0,0]=3 754 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [0,2,0,0,0,0|2,0,0]=4 755 B13R2.5179 Cc1ccc2c(n1)cc[nH]c2=O AB85004 [0,2,0,0,0,0|1,0,1]=4 756 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [0,2,0,0,0,0|2,0,0]=4 757 B13R2.5179 Cc1ccc2c(n1)ncnc2Cl PB33473 [0,2,0,0,0,0|2,0,0]=4 758 B13R2.5179 c1c(cnc2c1ncnc2Cl)Br PB34615 [0,2,0,0,0,0|2,0,0]=4 759 B13R2.5179 c1c2c(cnc1Cl)c(ncn2)Cl AB73045 [0,2,0,0,0,0|2,0,0]=4 760 B13R2.5179 c1c2c(cnc1F)c(ncn2)Cl AB64188 [0,2,0,0,0,0|2,0,0]=4 761 B13R2.5179 c1cc(nc2c1c(=O)[nH]cc2)Br AB85000 [0,2,0,0,0,0|1,0,1]=4 762 B13R2.5179 c1cc(nc2c1c(=O)[nH]cc2)Cl AB85003 [0,2,0,0,0,0|1,0,1]=4 763 B13R2.5179 c1cc(nc2c1c(ncc2)Br)Cl AB85043 [0,2,0,0,0,0|1,0,0]=3 764 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Br AB73801 [0,2,0,0,0,0|1,0,0]=3 765 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Cl AB54491 [0,2,0,0,0,0|1,0,0]=3 766 B13R2.5179 c1cc(nc2c1c(ncc2)O)Br AB73798 [0,2,0,0,0,0|1,0,0]=3 767 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [0,2,0,0,0,0|1,0,0]=3 768 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)Cl PB25155 [0,2,0,0,0,0|2,0,0]=4 769 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)F AB71430 [0,2,0,0,0,0|2,0,0]=4 770 B13R2.5179 c1cc(nc2c1c(ncn2)O)Cl AB51262 [0,2,0,0,0,0|2,0,0]=4 771 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O PB34379 [0,2,0,0,0,0|1,0,0]=3 772 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl PB14700 [0,2,0,0,0,0|1,0,0]=3 773 B13R2.5179 c1cc2c(cc1Br)nc[nH]c2=O PB29464 [0,2,0,0,0,0|1,0,1]=4 774 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl PB17355 [0,2,0,0,0,0|1,0,0]=3 775 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O PB30105 [0,2,0,0,0,0|1,0,0]=3 776 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl PB19262 [0,2,0,0,0,0|1,0,0]=3 777 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl AB01392 [0,2,0,0,0,0|1,0,0]=3 778 B13R2.5179 c1cc2c(cc1F)nc[nH]c2=O PB18807 [0,2,0,0,0,0|1,0,1]=4 779 B13R2.5179 c1cc2c(cc1F)ncnc2Cl AB43869 [0,2,0,0,0,0|1,0,0]=3 780 B13R2.5179 c1cc2c(cc1F)ncnc2N CB11202 [0,2,0,0,0,0|1,0,0]=3 781 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br AB39354 [0,2,0,0,0,0|0,0,1]=3 782 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [0,2,0,0,0,0|0,0,1]=3 783 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1F AB55620 [0,2,0,0,0,0|0,0,1]=3 784 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N PB11021 [0,2,0,0,0,0|0,0,1]=3 785 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,2,0,0,0,0|2,0,0]=4 786 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,2,0,0,0,0|2,0,0]=4 787 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [0,2,0,0,0,0|2,0,0]=4 788 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [0,2,0,0,0,0|2,0,0]=4 789 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [0,2,0,0,0,0|0,0,0]=2 790 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [0,2,0,0,0,0|0,0,0]=2 791 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [0,2,0,0,0,0|0,0,0]=2 792 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [0,2,0,0,0,0|0,0,0]=2 793 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [0,2,0,0,0,0|0,0,0]=2 794 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [0,2,0,0,0,0|0,0,0]=2 795 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [0,2,0,0,0,0|0,0,0]=2 796 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [0,2,0,0,0,0|0,0,0]=2 797 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [0,2,0,0,0,0|0,0,0]=2 798 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [0,2,0,0,0,0|2,0,0]=4 799 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [0,2,0,0,0,0|2,0,0]=4 800 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [0,2,0,0,0,0|2,0,0]=4 801 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [0,2,0,0,0,0|2,0,0]=4 802 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [0,2,0,0,0,0|2,0,0]=4 803 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [0,2,0,0,0,0|2,0,0]=4 804 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [0,2,0,0,0,0|2,0,0]=4 805 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [0,2,0,0,0,0|2,0,0]=4 806 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br PB32901 [0,2,0,0,0,0|1,0,0]=3 807 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [0,2,0,0,0,0|2,0,0]=4 808 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Br AB76411 [0,2,0,0,0,0|1,0,1]=4 809 B13R2.5179 c1cnc(c2=CCC(=O)N=c21)Cl AB85042 [0,2,0,0,0,0|1,0,1]=4 810 B13R2.5179 c1cnc(c2c1cc(cn2)Br)Cl AB73781 [0,2,0,0,0,0|1,0,0]=3 811 B13R2.5179 c1cnc(c2c1cc(cn2)Cl)Cl AB73790 [0,2,0,0,0,0|1,0,0]=3 812 B13R2.5179 c1cnc(c2c1cc(cn2)F)Cl AB76841 [0,2,0,0,0,0|1,0,0]=3 813 B13R2.5179 c1cnc(c2c1cc(nc2)Br)Cl AB73836 [0,2,0,0,0,0|1,0,0]=3 814 B13R2.5179 c1cnc(c2c1nc(nc2)Cl)Cl AB85017 [0,2,0,0,0,0|2,0,0]=4 815 B13R2.342 C1=C2=C(C=NC=C2C(=O)N=C1)Br AB73843 [0,2,0,0,0,0|1,0,1]=4 816 B13R2.342 C1=C2=C(C=NC=C2C(=O)N=C1)Cl AB73842 [0,2,0,0,0,0|1,0,1]=4 817 B13R2.342 C1=C2=C(N=CC=C2C(=O)N=C1)Br AB73853 [0,2,0,0,0,0|1,0,1]=4 818 B13R2.342 C1=C2=C(N=CC=C2C(=O)N=C1)Cl AB74131 [0,2,0,0,0,0|1,0,1]=4 819 B13R2.342 C1=CN=C2C(=C1Br)=CC=NC2=O AB85032 [0,2,0,0,0,0|1,0,1]=4 820 B13R2.342 C1=CN=C2C(=C1Cl)=CC=NC2=O AB85035 [0,2,0,0,0,0|1,0,1]=4 821 B13R2.342 Cc1cccc2c1ccnc2Cl MB09763 [0,2,0,0,0,0|0,0,0]=2 822 B13R2.342 Cc1cccc2c1ccnc2O AB70070 [0,2,0,0,0,0|0,0,0]=2 823 B13R2.342 Cc1cccc2c1nccc2Cl AB05597 [0,2,0,0,0,0|2,0,0]=4 824 B13R2.342 Cc1cccc2c1nccc2N AB42078 [0,2,0,0,0,0|2,0,0]=4 825 B13R2.342 Cc1cccc2c1nccc2O AB05626 [0,2,0,0,0,0|2,0,0]=4 826 B13R2.342 Cc1ccnc2c1cccc2Br CB11612 [0,2,0,0,0,0|2,0,0]=4 827 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O MB08801 [0,2,0,0,0,0|1,0,1]=4 828 B13R2.342 c1cc2c(c(c1)Cl)nc[nH]c2=O MB08808 [0,2,0,0,0,0|1,0,1]=4 829 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br AB64049 [0,2,0,0,0,0|0,0,1]=3 830 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl AB64608 [0,2,0,0,0,0|0,0,1]=3 831 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N PB32405 [0,2,0,0,0,0|0,0,1]=3 832 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)O MB01281 [0,2,0,0,0,0|0,0,1]=3 833 B13R2.342 c1cc2c(cccc2I)c(c1)O MB05554 [0,2,0,0,0,0|1,0,0]=3 834 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br AB48461 [0,2,0,0,0,0|0,0,0]=2 835 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Cl AB64606 [0,2,0,0,0,0|0,0,0]=2 836 B13R2.342 c1cc2c(ccnc2N)c(c1)Br AB64053 [0,2,0,0,0,0|0,0,0]=2 837 B13R2.342 c1cc2c(ccnc2N)c(c1)Cl AB70043 [0,2,0,0,0,0|0,0,0]=2 838 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl AB10174 [0,2,0,0,0,0|2,0,0]=4 839 B13R2.342 c1cc2c(ccnc2c(c1)Br)N AB16996 [0,2,0,0,0,0|2,0,0]=4 840 B13R2.342 c1cc2c(ccnc2c(c1)Br)O AB05650 [0,2,0,0,0,0|2,0,0]=4 841 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br AB42130 [0,2,0,0,0,0|2,0,0]=4 842 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N AB16995 [0,2,0,0,0,0|2,0,0]=4 843 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O AB05649 [0,2,0,0,0,0|2,0,0]=4 844 B13R2.342 c1cc2c(ccnc2c(c1)F)Br AB42123 [0,2,0,0,0,0|2,0,0]=4 845 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl AB05919 [0,2,0,0,0,0|2,0,0]=4 846 B13R2.342 c1cc2c(ccnc2c(c1)F)N AB16991 [0,2,0,0,0,0|2,0,0]=4 847 B13R2.342 c1cnc(c2c1C(=O)CC=N2)Cl PB23871 [0,2,0,0,0,0|1,0,1]=4 848 B13R2.342 c1cnc(c2c1c(ccn2)Br)Cl AB73792 [0,2,0,0,0,0|1,0,0]=3 849 B13R2.342 c1cnc(c2c1c(ccn2)Cl)Cl PB19645 [0,2,0,0,0,0|1,0,0]=3 850 B13R2.342 c1cnc(c2c1c(ccn2)N)Cl AB73793 [0,2,0,0,0,0|1,0,0]=3 851 B13R2.342 c1cnc(c2c1c(cnc2)Br)Cl AB73845 [0,2,0,0,0,0|1,0,0]=3 852 B13R2.342 c1cnc(c2c1c(ncc2)Br)Cl AB73851 [0,2,0,0,0,0|1,0,0]=3 853 B13R2.342 c1cnc(c2c1c(ncc2)Cl)Cl AB54479 [0,2,0,0,0,0|1,0,0]=3 854 B13R2.342 c1cnc(c2c1c(ncn2)Cl)Cl AB73049 [0,2,0,0,0,0|2,0,0]=4 855 B13R2.342 c1cnc(c2c1c(ncn2)Cl)F AB73046 [0,2,0,0,0,0|2,0,0]=4 856 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [0,2,0,0,0,0|1,0,0]=3 857 B13R2.371 c1c2c(cnn1)C(=O)C=CC2=O MB08782 [0,2,0,0,0,0|1,0,0]=3 858 B13R2.371 c1cc(c2ccncc2c1N)Br AB50046 [0,2,0,0,0,0|0,0,0]=2 859 B13R2.371 c1cc2c(c(nnc2Cl)Cl)nc1 PB21674 [0,2,0,0,0,0|2,0,0]=4 860 B13R2.371 c1cc2c(ccc(c2nc1)Br)Br AB20865 [0,2,0,0,0,0|2,0,0]=4 861 B13R2.371 c1cc2c(ccc(c2nc1)N)Cl MB01218 [0,2,0,0,0,0|2,0,0]=4 862 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br PB20279 [0,2,0,0,0,0|1,0,0]=3 863 B13R2.371 c1cc2c(cnc(c2nc1)O)Br PB16196 [0,2,0,0,0,0|1,0,0]=3 864 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br MB01038 [0,2,0,0,0,0|0,0,0]=2 865 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br MB01037 [0,2,0,0,0,0|0,0,0]=2 866 B13R2.371 c1ccc2c(c1)c(cnc2N)Br MB03465 [0,2,0,0,0,0|0,0,0]=2 867 B13R2.371 c1cncc2c1c(c[nH]c2=O)Br PB19545 [0,2,0,0,0,0|1,0,0]=3 868 B13R2.371 c1cncc2c1c(c[nH]c2=O)I PB15255 [0,2,0,0,0,0|1,0,0]=3 869 B13R2.371 c1cncc2c1c(cnc2Cl)I PB30185 [0,2,0,0,0,0|1,0,0]=3 870 B13R2.371 c1cncc2c1c(nnc2Cl)Cl PB29713 [0,2,0,0,0,0|2,0,0]=4 871 B13R2.1613 C#Cc1cccc2c1cccn2 AB42083 [0,2,0,0,0,0|2,0,0]=4 872 B13R2.1613 C#Cc1ccnc2c1cccc2 AB48498 [0,2,0,0,0,0|2,0,0]=4 873 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,2,0,0,0,0|0,0,2]=4 874 B13R2.1613 COc1cccc2c1cncc2 AB49764 [0,2,0,0,0,0|0,0,0]=2 875 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,2,0,0,0,0|2,0,0]=4 876 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [0,2,0,0,0,0|2,0,0]=4 877 B13R2.1613 c1cc2cccnc2c(c1)NN AB07874 [0,2,0,0,0,0|2,0,0]=4 878 B13R2.1613 c1cc2ccncc2c(c1)C=O AB23484 [0,2,0,0,0,0|0,0,0]=2 879 B13R2.1613 c1cc2ccncc2c(c1)CN AB28224 [0,2,0,0,0,0|0,0,0]=2 880 B13R2.1613 c1cc2ccncc2c(c1)CO MB10361 [0,2,0,0,0,0|0,0,0]=2 881 B13R2.1613 c1cc2cncc(c2nc1)C=O AB28388 [0,2,0,0,0,0|1,0,0]=3 882 B13R2.1613 c1cc2cnccc2c(c1)C#N AB13764 [0,2,0,0,0,0|0,0,0]=2 883 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [0,2,0,0,0,0|0,0,0]=2 884 B13R2.1613 c1cc2cnccc2c(c1)CN AB56494 [0,2,0,0,0,0|0,0,0]=2 885 B13R2.1613 c1ccc2c(c1)c(ccn2)CCl AB60119 [0,2,0,0,0,0|2,0,0]=4 886 B13R2.1613 c1ccc2c(c1)c(ccn2)CN AB11064 [0,2,0,0,0,0|2,0,0]=4 887 B13R2.1613 c1ccc2c(c1)c(ccn2)CO MB01636 [0,2,0,0,0,0|2,0,0]=4 888 B13R2.1613 c1ccc2c(c1)c(ccn2)NN AB05747 [0,2,0,0,0,0|2,0,0]=4 889 B13R2.1613 c1ccc2c(c1)c(ncn2)C#N AB60723 [0,2,0,0,0,0|1,0,0]=3 890 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,2,0,0,0,0|1,0,0]=3 891 B13R2.1613 c1ccc2c(c1)c(ncn2)CN AB49444 [0,2,0,0,0,0|1,0,0]=3 892 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [0,2,0,0,0,0|0,0,0]=2 893 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,2,0,0,0,0|0,0,0]=2 894 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [0,2,0,0,0,0|0,0,0]=2 895 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [0,2,0,0,0,0|0,0,0]=2 896 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [0,2,0,0,0,0|0,0,0]=2 897 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [0,2,0,0,0,0|0,0,0]=2 898 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,2,0,0,0,0|0,0,0]=2 899 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [0,2,0,0,0,0|0,0,0]=2 900 B13R2.1613 c1cncc2c1c(cnc2)C=O CB11847 [0,2,0,0,0,0|1,0,0]=3 901 B13R2.4818 C1=C2=CC=NC(=O)C2=C(N=C1)Cl AB77321 [0,2,0,0,0,0|1,0,1]=4 902 B13R2.4818 Cc1cccc2c1c(=O)[nH]cn2 MB06116 [0,2,0,0,0,0|1,0,1]=4 903 B13R2.4818 Cc1cccc2c1c(ncc2)Cl MB13685 [0,2,0,0,0,0|0,0,0]=2 904 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl CB11066 [0,2,0,0,0,0|2,0,0]=4