0 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 CSC011939124 [0,1,0,0,0,0|3,0,0]=4 1 B15R2.29 Fc1ccc(cc1)Oc2ncccn2 CSC032195680 [0,1,0,0,0,0|2,0,0]=3 2 B15R2.29 Ic1ccc(cc1)Oc2ncccn2 CSC000173529 [0,1,0,0,0,0|2,0,0]=3 3 B15R2.31 Ic1cccc(c1)Oc2ncccn2 CSC000171928 [0,1,0,0,0,0|2,0,0]=3 4 B15R2.38 O=c1ccccn1Cc2ccccc2 CSC000204102 [0,1,0,0,0,0|2,0,0]=3 5 B15R2.38 O=c1ncccn1Cc2ccccc2 CSC011434294 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.3 c1cc(ccn1)c2ccncc2 CSC000185987 [0,0,0,0,1,0|2,0,0]=3 7 B13R2.3 c1ccc(cc1)c2ccccc2 CSC000185809 [0,0,0,0,1,0|0,0,0]=1 8 B13R2.3 c1ccc(cc1)c2ccncc2 CSC011204177 [0,0,0,0,1,0|1,0,0]=2 9 B13R2.3 c1ccc(cc1)c2cncnc2 CSC000075717 [0,0,0,0,1,0|2,0,0]=3 10 B13R2.3 c1ccc(cc1)c2ncccn2 CSC000067487 [0,0,0,0,1,0|2,0,0]=3 11 B13R2.3 c1ccc(nc1)c2cncnc2 CSC009870145 [0,0,0,0,1,0|3,0,0]=4 12 B13R2.64 C(c1ccccc1)n2ccnc2 CSC000188494 [0,0,0,0,1,0|3,0,0]=4 13 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 CSC046097546 [0,0,0,0,0,1|3,0,0]=4 14 B15R2.2195 C(Nc1ccccc1)c2ccccc2 CSC000188819 [0,0,0,0,0,1|1,0,0]=2 15 B15R2.2195 C(Nc1ccccc1)c2cccnc2 CSC011211160 [0,0,0,0,0,1|2,0,0]=3 16 B15R2.2195 C(Nc1ccccn1)c2ccccn2 CSC000156431 [0,0,0,0,0,1|3,0,0]=4 17 B15R2.2195 C(Nc1ccccn1)c2cccnc2 CSC000156437 [0,0,0,0,0,1|3,0,0]=4 18 B15R2.2195 C(Nc1cccnc1)c2ccccc2 CSC011230970 [0,0,0,0,0,1|2,0,0]=3 19 B15R2.2195 C(Oc1ccncc1)c2ccccc2 CSC000045163 [0,0,0,0,0,1|1,0,0]=2 20 B15R2.2195 C(Sc1ccccc1)c2ccccc2 CSC000000821 [0,0,0,0,0,1|0,1,0]=2 21 B15R2.2195 C(Sc1ccccc1)c2cccnc2 CSC000044157 [0,0,0,0,0,1|1,1,0]=3 22 B15R2.2195 C(Sc1ccccn1)c2ccccn2 CSC000031117 [0,0,0,0,0,1|2,1,0]=4 23 B15R2.2195 C(Sc1ncccn1)c2ccccc2 CSC000000291 [0,0,0,0,0,1|2,1,0]=4 24 B14R2.21 Cc1cccc(n1)c2ccccc2 CSC000066379 [0,1,0,0,1,0|1,0,0]=3 25 B14R2.21 Cc1ccnc(c1)c2ccccc2 CSC000074759 [0,1,0,0,1,0|1,0,0]=3 26 B14R2.21 Cc1cncc(c1)c2ccccc2 CSC000041237 [0,1,0,0,1,0|1,0,0]=3 27 B14R2.21 Fc1cccc(c1)c2ccccn2 CSC000117250 [0,1,0,0,1,0|1,0,0]=3 28 B14R2.21 Nc1cccc(c1)c2ccccn2 CSC011894357 [0,1,0,0,1,0|1,0,0]=3 29 B14R2.21 Nc1cccc(c1)c2cccnc2 CSC011399840 [0,1,0,0,1,0|1,0,0]=3 30 B14R2.21 Nc1cncc(c1)c2ccccc2 CSC011997052 [0,1,0,0,1,0|1,0,0]=3 31 B14R2.21 Oc1cccc(c1)c2ccccc2 CSC011215446 [0,1,0,0,1,0|0,0,0]=2 32 B14R2.24 Cc1ccccc1c2ccccc2 CSC000035869 [0,1,0,0,1,0|0,0,0]=2 33 B14R2.24 Cc1cccnc1c2ccccc2 CSC000037425 [0,1,0,0,1,0|1,0,0]=3 34 B14R2.24 Fc1ccccc1c2ccccc2 CSC000039657 [0,1,0,0,1,0|0,0,0]=2 35 B14R2.24 Nc1ccccc1c2ccccc2 CSC000210918 [0,1,0,0,1,0|0,0,0]=2 36 B14R2.24 Nc1ccccc1c2cccnc2 CSC011399838 [0,1,0,0,1,0|1,0,0]=3 37 B14R2.24 Nc1ccccc1c2cncnc2 CSC011688939 [0,1,0,0,1,0|2,0,0]=4 38 B14R2.24 Nc1cccnc1c2ccccc2 CSC000706567 [0,1,0,0,1,0|1,0,0]=3 39 B14R2.68 Cc1ccc(cc1)c2ccccn2 CSC000035180 [0,1,0,0,1,0|1,0,0]=3 40 B14R2.68 Clc1ccc(cc1)c2ccccc2 CSC011217223 [0,1,0,0,1,0|0,0,0]=2 41 B14R2.68 Fc1ccc(cc1)c2ccccc2 CSC000040000 [0,1,0,0,1,0|0,0,0]=2 42 B14R2.68 Fc1ccc(cc1)c2ccncc2 CSC000088885 [0,1,0,0,1,0|1,0,0]=3 43 B14R2.68 Nc1ccc(cc1)c2cccnc2 CSC011399839 [0,1,0,0,1,0|1,0,0]=3 44 B14R2.68 Nc1ccc(cc1)c2ccncc2 CSC011410175 [0,1,0,0,1,0|1,0,0]=3 45 B14R2.68 Nc1ccc(cn1)c2ccccc2 CSC000743117 [0,1,0,0,1,0|1,0,0]=3 46 B14R2.68 Nc1ccc(cn1)c2cccnc2 CSC011688803 [0,1,0,0,1,0|2,0,0]=4 47 B14R2.68 Oc1ccc(cc1)c2cncnc2 CSC011997985 [0,1,0,0,1,0|2,0,0]=4 48 B16R2.71 Brc1ccccc1NCc2ccccc2 CSC000224041 [0,1,0,0,0,1|1,0,0]=3 49 B16R2.71 Brc1ccccc1NCc2ccncc2 CSC000224054 [0,1,0,0,0,1|2,0,0]=4 50 B16R2.71 Brc1ccccc1OCc2ccccn2 CSC011214837 [0,1,0,0,0,1|1,0,0]=3 51 B16R2.71 Cc1ccccc1CNc2ccccc2 CSC000188235 [0,1,0,0,0,1|1,0,0]=3 52 B16R2.71 Cc1ccccc1CNc2ccccn2 CSC000176107 [0,1,0,0,0,1|2,0,0]=4 53 B16R2.71 Cc1ccccc1NCc2ccccc2 CSC000188381 [0,1,0,0,0,1|1,0,0]=3 54 B16R2.71 Clc1ccccc1CNc2ccccc2 CSC000188236 [0,1,0,0,0,1|1,0,0]=3 55 B16R2.71 Clc1ccccc1CNc2ccccn2 CSC000156637 [0,1,0,0,0,1|2,0,0]=4 56 B16R2.71 Clc1ccccc1COc2ccccc2 CSC000151824 [0,1,0,0,0,1|0,0,0]=2 57 B16R2.71 Clc1ccccc1CSc2ccccc2 CSC000000823 [0,1,0,0,0,1|0,1,0]=3 58 B16R2.71 Clc1ccccc1CSc2ccccn2 CSC000006456 [0,1,0,0,0,1|1,1,0]=4 59 B16R2.71 Fc1ccccc1CNc2ccccn2 CSC000156009 [0,1,0,0,0,1|2,0,0]=4 60 B16R2.71 Fc1ccccc1CSc2ccccc2 CSC000000819 [0,1,0,0,0,1|0,1,0]=3 61 B16R2.71 Fc1ccccc1NCc2ccccc2 CSC000224932 [0,1,0,0,0,1|1,0,0]=3 62 B16R2.71 Oc1ccccc1C=Nc2ccccc2 CSC032043572 [0,1,0,0,0,1|1,0,0]=3 63 B16R2.88 CC(Nc1ccccc1)c2ccccn2 CSC011230782 [0,1,0,0,0,1|2,0,0]=4 64 B16R2.88 CN(Cc1ccccc1)c2ccccc2 CSC000006973 [0,1,0,0,0,1|1,0,0]=3 65 B16R2.88 CN(Cc1cccnc1)c2ccccc2 CSC047003010 [0,1,0,0,0,1|2,0,0]=4 66 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 CSC000153489 [0,1,0,0,0,1|1,0,0]=3 67 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 CSC000153471 [0,1,0,0,0,1|2,0,0]=4 68 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 CSC000153478 [0,1,0,0,0,1|2,0,0]=4 69 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 CSC000153474 [0,1,0,0,0,1|2,0,0]=4 70 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 CSC000159163 [0,1,0,0,0,1|2,0,0]=4 71 B16R2.88 O=C(Nc1ccncc1)c2ccccc2 CSC000194393 [0,1,0,0,0,1|2,0,0]=4 72 B16R2.88 O=S(Cc1ccccc1)c2ccccc2 CSC000064345 [0,1,0,0,0,1|0,1,0]=3 73 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 CSC000188238 [0,1,0,0,0,1|1,0,0]=3 74 B16R2.132 Brc1ccc(cc1)CNc2ccccn2 CSC000186237 [0,1,0,0,0,1|2,0,0]=4 75 B16R2.132 Brc1ccc(cc1)COc2ccccc2 CSC000151822 [0,1,0,0,0,1|0,0,0]=2 76 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 CSC000238286 [0,1,0,0,0,1|2,0,0]=4 77 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 CSC000189165 [0,1,0,0,0,1|2,0,0]=4 78 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 CSC000151783 [0,1,0,0,0,1|0,0,0]=2 79 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 CSC009814484 [0,1,0,0,0,1|1,1,0]=4 80 B16R2.132 Brc1ccc(nc1)NCc2ccccc2 CSC000239955 [0,1,0,0,0,1|2,0,0]=4 81 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 CSC000187236 [0,1,0,0,0,1|1,0,0]=3 82 B16R2.132 Cc1ccc(cc1)CNc2ccccn2 CSC000155969 [0,1,0,0,0,1|2,0,0]=4 83 B16R2.132 Cc1ccc(cc1)CNc2cccnc2 CSC000712801 [0,1,0,0,0,1|2,0,0]=4 84 B16R2.132 Cc1ccc(cc1)COc2ccccc2 CSC000151826 [0,1,0,0,0,1|0,0,0]=2 85 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 CSC000000813 [0,1,0,0,0,1|0,1,0]=3 86 B16R2.132 Cc1ccc(cc1)NCc2ccncc2 CSC000187425 [0,1,0,0,0,1|2,0,0]=4 87 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 CSC000151804 [0,1,0,0,0,1|0,0,0]=2 88 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 CSC000006809 [0,1,0,0,0,1|0,1,0]=3 89 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 CSC032853044 [0,1,0,0,0,1|1,1,0]=4 90 B16R2.132 Clc1ccc(cc1)CNc2ccccn2 CSC000156184 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.132 Clc1ccc(cc1)COc2ccccc2 CSC000151820 [0,1,0,0,0,1|0,0,0]=2 92 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 CSC000000820 [0,1,0,0,0,1|0,1,0]=3 93 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 CSC000742532 [0,1,0,0,0,1|2,0,0]=4 94 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 CSC000187240 [0,1,0,0,0,1|2,0,0]=4 95 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 CSC000151798 [0,1,0,0,0,1|0,0,0]=2 96 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 CSC000024806 [0,1,0,0,0,1|1,1,0]=4 97 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 CSC048345669 [0,1,0,0,0,1|1,1,0]=4 98 B16R2.132 Fc1ccc(cc1)CNc2ccccn2 CSC000156842 [0,1,0,0,0,1|2,0,0]=4 99 B16R2.132 Fc1ccc(cc1)COc2ccccc2 CSC000151825 [0,1,0,0,0,1|0,0,0]=2 100 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 CSC000000824 [0,1,0,0,0,1|0,1,0]=3 101 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 CSC000187247 [0,1,0,0,0,1|1,0,0]=3 102 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 CSC000742618 [0,1,0,0,0,1|2,0,0]=4 103 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 CSC000187043 [0,1,0,0,0,1|2,0,0]=4 104 B16R2.132 Fc1ccc(cc1)NCc2ccncc2 CSC000187248 [0,1,0,0,0,1|2,0,0]=4 105 B16R2.132 Fc1ccc(cc1)OCc2ccccc2 CSC000151815 [0,1,0,0,0,1|0,0,0]=2 106 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 CSC047495018 [0,1,0,0,0,1|0,1,0]=3 107 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 CSC000188239 [0,1,0,0,0,1|1,0,0]=3 108 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 CSC011362052 [0,1,0,0,0,1|0,1,0]=3 109 B16R2.252 Brc1cccc(c1)OCc2ccccc2 CSC000151840 [0,1,0,0,0,1|0,0,0]=2 110 B16R2.252 Brc1cccc(c1)OCc2ccccn2 CSC011214830 [0,1,0,0,0,1|1,0,0]=3 111 B16R2.252 Brc1ccnc(c1)NCc2ccccc2 CSC010191162 [0,1,0,0,0,1|2,0,0]=4 112 B16R2.252 Cc1cccc(c1)NCc2ccncc2 CSC000224075 [0,1,0,0,0,1|2,0,0]=4 113 B16R2.252 Cc1cccc(c1)SCc2ccccc2 CSC000055753 [0,1,0,0,0,1|0,1,0]=3 114 B16R2.252 Cc1cccc(n1)NCc2ccccc2 CSC011215723 [0,1,0,0,0,1|2,0,0]=4 115 B16R2.252 Cc1ccnc(c1)NCc2ccccc2 CSC000239948 [0,1,0,0,0,1|2,0,0]=4 116 B16R2.252 Clc1cccc(c1)CNc2ccccn2 CSC000156640 [0,1,0,0,0,1|2,0,0]=4 117 B16R2.252 Clc1cccc(c1)CSc2ccccc2 CSC000000822 [0,1,0,0,0,1|0,1,0]=3 118 B16R2.252 Clc1cccc(c1)NCc2ccccc2 CSC000224541 [0,1,0,0,0,1|1,0,0]=3 119 B16R2.252 Fc1cccc(c1)CNc2ccccn2 CSC000239960 [0,1,0,0,0,1|2,0,0]=4 120 B16R2.252 Fc1cccc(c1)COc2ccccc2 CSC000151828 [0,1,0,0,0,1|0,0,0]=2 121 B16R2.252 Fc1cccc(c1)CSc2ccccc2 CSC000000815 [0,1,0,0,0,1|0,1,0]=3 122 B16R2.252 Fc1cccc(c1)CSc2ccccn2 CSC000006702 [0,1,0,0,0,1|1,1,0]=4 123 B16R2.252 Fc1cccc(c1)OCc2ccccc2 CSC000151861 [0,1,0,0,0,1|0,0,0]=2 124 B16R2.252 Nc1cccc(c1)COc2ccccc2 CSC000743254 [0,1,0,0,0,1|0,0,0]=2 125 B16R2.252 Nc1cccc(c1)CSc2ccccn2 CSC000747872 [0,1,0,0,0,1|1,1,0]=4 126 B16R2.252 Oc1cccc(c1)CNc2ccccc2 CSC011230791 [0,1,0,0,0,1|1,0,0]=3 127 B16R2.2 COc1ccc(cc1)Cc2ccccc2 CSC000065633 [0,2,0,0,0,0|1,0,0]=3 128 B16R2.2 N#Cc1ccc(nc1)Sc2ccccc2 CSC000242230 [0,2,0,0,0,0|1,1,0]=4 129 B16R2.2 NCc1ccc(cc1)Oc2ccccn2 CSC011219347 [0,2,0,0,0,0|1,0,0]=3 130 B16R2.33 Clc1ccc(cc1)Oc2ncc(cn2)Br CSC011939424 [0,2,0,0,0,0|2,0,0]=4 131 B16R2.124 Fc1ccc(cc1Cl)Oc2ncccn2 CSC000005992 [0,2,0,0,0,0|2,0,0]=4 132 B16R2.124 Fc1ccc(cc1F)Oc2ncccn2 CSC031549065 [0,2,0,0,0,0|2,0,0]=4 133 B16R2.312 Clc1ccc(c(c1)Cl)Oc2ncccn2 CSC000005989 [0,2,0,0,0,0|2,0,0]=4 134 B16R2.312 Fc1ccc(c(c1)F)Oc2ncccn2 CSC000026427 [0,2,0,0,0,0|2,0,0]=4 135 B16R2.1129 Cc1ccccc1Oc2ncc(cn2)Br CSC011939430 [0,2,0,0,0,0|2,0,0]=4 136 B16R2.23 CNc1cccc(c1)Oc2ccccc2 CSC000220831 [0,2,0,0,0,0|0,0,0]=2 137 B16R2.35 Brc1cccn(c1=O)Cc2ccccc2 CSC013733256 [0,2,0,0,0,0|2,0,0]=4 138 B16R2.317 Brc1ccc(=O)n(c1)Cc2ccccc2 CSC000151737 [0,2,0,0,0,0|2,0,0]=4 139 B16R2.172 CNc1ccccc1Cc2ccccc2 CSC000221167 [0,2,0,0,0,0|1,0,0]=3 140 B16R2.172 CNc1ccccc1Sc2ccccc2 CSC011806251 [0,2,0,0,0,0|0,1,0]=3 141 B16R2.172 N#Cc1ccccc1Oc2cnccn2 CSC000006714 [0,2,0,0,0,0|2,0,0]=4 142 B16R2.172 N#Cc1ccccc1Oc2ncccn2 CSC000005994 [0,2,0,0,0,0|2,0,0]=4 143 B16R2.172 N#Cc1cccnc1Oc2cccnc2 CSC000199167 [0,2,0,0,0,0|2,0,0]=4 144 B16R2.172 N#Cc1cccnc1Sc2ccccc2 CSC000156351 [0,2,0,0,0,0|1,1,0]=4 145 B16R2.4062 Fc1ccccc1Cn2ccccc2=O CSC000204100 [0,2,0,0,0,0|2,0,0]=4 146 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,0,0,0,2,0|2,0,0]=4 147 B12R2.2 c1cc(cs1)c2ccccn2 CSC000036383 [0,0,0,0,2,0|2,0,0]=4 148 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,0,0,0,2,0|2,0,0]=4 149 B16R2.2256 C(Cc1ccccc1)Oc2ccccc2 CSC011995743 [0,0,0,0,0,2|0,0,0]=2 150 B16R2.2256 C(Cc1ccccc1)Sc2ccccc2 CSC000031048 [0,0,0,0,0,2|0,1,0]=3 151 B16R2.2256 C(Cc1ccccn1)Sc2ccccc2 CSC046232085 [0,0,0,0,0,2|1,1,0]=4 152 B16R2.2256 C(Cc1ccncc1)Sc2ccccc2 CSC000018619 [0,0,0,0,0,2|1,1,0]=4 153 B16R2.2256 C(NCc1ccccn1)c2ccccc2 CSC000196071 [0,0,0,0,0,2|2,0,0]=4 154 B16R2.2256 C(NCc1cccnc1)c2ccccc2 CSC000180891 [0,0,0,0,0,2|2,0,0]=4 155 B16R2.2256 C(NCc1ccncc1)c2ccccc2 CSC000186794 [0,0,0,0,0,2|2,0,0]=4 156 B16R2.2256 C(SCc1ccccc1)c2ccccc2 CSC000004503 [0,0,0,0,0,2|0,1,0]=3 157 B16R2.2256 C(SCc1cccnc1)c2ccccc2 CSC000044160 [0,0,0,0,0,2|1,1,0]=4 158 B16R2.2256 N(N=Cc1ccccc1)c2ccccc2 CSC000007351 [0,0,0,0,0,2|1,0,0]=3 159 B16R2.2256 N(N=Cc1ccccn1)c2ccccc2 CSC045338594 [0,0,0,0,0,2|2,0,0]=4 160 B16R2.2256 N(N=Cc1cccnc1)c2ccccc2 CSC030798962 [0,0,0,0,0,2|2,0,0]=4 161 B16R2.2256 N(N=Cc1ccncc1)c2ccccc2 CSC046216017 [0,0,0,0,0,2|2,0,0]=4