0 B16R2.71 Brc1ccccc1NCc2ccccc2 CSC000224041 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.71 Brc1ccccc1NCc2ccncc2 CSC000224054 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.71 Brc1ccccc1OCc2ccccn2 CSC011214837 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.71 Cc1ccccc1CNc2ccccc2 CSC000188235 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.71 Cc1ccccc1NCc2ccccc2 CSC000188381 [0,0,0,0,0,0|3,0,0]=3 5 B16R2.71 Clc1ccccc1CNc2ccccc2 CSC000188236 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.71 Clc1ccccc1COc2ccccc2 CSC000151824 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.71 Clc1ccccc1CSc2ccccc2 CSC000000823 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.71 Fc1ccccc1CSc2ccccc2 CSC000000819 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.71 Fc1ccccc1NCc2ccccc2 CSC000224932 [0,0,0,0,0,0|3,0,0]=3 10 B16R2.71 Oc1ccccc1C=Nc2ccccc2 CSC032043572 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.2195 C(Nc1ccccc1)c2ccccc2 CSC000188819 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.2195 C(Nc1ccccc1)c2cccnc2 CSC011211160 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.2195 C(Nc1ccccn1)c2cccnc2 CSC000156437 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.2195 C(Nc1cccnc1)c2ccccc2 CSC011230970 [1,0,0,0,0,0|1,0,0]=2 15 B15R2.2195 C(Oc1ccncc1)c2ccccc2 CSC000045163 [1,0,0,0,0,0|2,0,0]=3 16 B15R2.2195 C(Sc1ccccc1)c2ccccc2 CSC000000821 [1,0,0,0,0,0|1,1,0]=3 17 B15R2.2195 C(Sc1ccccc1)c2cccnc2 CSC000044157 [1,0,0,0,0,0|2,0,0]=3 18 B17R2.262 CCc1ccccc1NCc2ccccc2 CSC000228130 [0,1,0,0,0,0|3,0,0]=4 19 B17R2.262 COc1ccccc1NCc2ccccc2 CSC000224088 [0,1,0,0,0,0|3,0,0]=4 20 B17R2.262 N#Cc1ccccc1SCc2ccccc2 CSC000275054 [0,1,0,0,0,0|1,1,1]=4 21 B17R2.262 NCc1ccccc1OCc2ccccn2 CSC000287712 [0,1,0,0,0,0|2,0,0]=3 22 B17R2.262 NCc1ccccc1OCc2cccnc2 CSC000287713 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.262 OCc1ccccc1NCc2ccccc2 CSC000226153 [0,1,0,0,0,0|3,0,0]=4 24 B17R2.262 OCc1ccccc1OCc2ccccc2 CSC000187657 [0,1,0,0,0,0|2,0,0]=3 25 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C CSC000262164 [0,1,0,0,0,0|3,0,0]=4 26 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br CSC000262451 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl CSC000262314 [0,1,0,0,0,0|3,0,0]=4 28 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I CSC000262166 [0,1,0,0,0,0|3,0,0]=4 29 B17R2.496 Fc1ccc(cc1)COc2ccccc2Br CSC000151720 [0,1,0,0,0,0|2,0,0]=3 30 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Br CSC000151778 [0,1,0,0,0,0|2,0,0]=3 31 B17R2.3426 Cc1ccccc1OC(=O)c2ccccc2 CSC000001920 [0,1,0,0,0,0|2,0,1]=4 32 B17R2.3426 Nc1ccccc1NC(=O)c2ccccc2 CSC000287447 [0,1,0,0,0,0|2,0,1]=4 33 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Cl CSC000006296 [0,1,0,0,0,0|2,0,0]=3 34 B17R2.5121 Cc1ccccc1CNc2ccccc2C CSC000262163 [0,1,0,0,0,0|3,0,0]=4 35 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl CSC000262165 [0,1,0,0,0,0|3,0,0]=4 36 B17R2.5121 Cc1ccccc1NCc2ccccc2F CSC019629418 [0,1,0,0,0,0|3,0,0]=4 37 B17R2.5121 Fc1ccccc1CNc2ccccc2I CSC000277370 [0,1,0,0,0,0|3,0,0]=4 38 B17R2.5121 Fc1ccccc1COc2ccccc2Br CSC000151714 [0,1,0,0,0,0|2,0,0]=3 39 B17R2.5121 Fc1ccccc1OCc2ccccc2Br CSC000173199 [0,1,0,0,0,0|2,0,0]=3 40 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 CSC000224090 [0,1,0,0,0,0|3,0,0]=4 41 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br CSC000215941 [0,1,0,0,0,0|3,0,0]=4 42 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 CSC000224092 [0,1,0,0,0,0|3,0,0]=4 43 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccc2 CSC000215940 [0,1,0,0,0,0|3,0,0]=4 44 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Br CSC009811563 [0,1,0,0,0,0|2,0,0]=3 45 B17R2.5360 Fc1ccc(c(c1)Br)OCc2ccccc2 CSC000151671 [0,1,0,0,0,0|2,0,0]=3 46 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C CSC000223607 [0,1,0,0,0,0|3,0,0]=4 47 B17R2.5365 Clc1ccc(cc1OCc2cccnc2)Br CSC011309230 [0,1,0,0,0,0|3,0,0]=4 48 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F CSC017092467 [0,1,0,0,0,0|3,0,0]=4 49 B17R2.41893 Cc1ccccc1NCc2cccc(c2)O CSC020058890 [0,1,0,0,0,0|3,0,0]=4 50 B17R2.41893 Fc1cccc(c1)COc2ccccc2Br CSC000151723 [0,1,0,0,0,0|2,0,0]=3 51 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Br CSC000173234 [0,1,0,0,0,0|2,0,0]=3 52 B17R2.41893 Nc1cccc(c1)COc2ccccc2Cl CSC000293985 [0,1,0,0,0,0|2,0,0]=3 53 B15R2.38 O=c1ccccn1Cc2ccccc2 CSC000204102 [0,0,0,0,1,0|3,0,0]=4 54 B15R2.38 O=c1ncccn1Cc2ccccc2 CSC011434294 [0,0,0,0,1,0|2,0,0]=3 55 B17R2.3956 Clc1ccccc1CNCc2ccccc2 CSC000186977 [0,0,0,0,0,1|3,0,0]=4 56 B17R2.3956 Fc1ccccc1CNCc2ccccc2 CSC000195875 [0,0,0,0,0,1|3,0,0]=4 57 B17R2.3956 Oc1ccccc1C=NCc2ccccc2 CSC020645287 [0,0,0,0,0,1|3,0,0]=4 58 B16R2.88 CN(Cc1ccccc1)c2ccccc2 CSC000006973 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.88 CN(Cc1cccnc1)c2ccccc2 CSC047003010 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 CSC000153478 [1,1,0,0,0,0|2,0,0]=4 61 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 CSC000159163 [1,1,0,0,0,0|1,0,1]=4 62 B16R2.88 O=S(Cc1ccccc1)c2ccccc2 CSC000064345 [1,1,0,0,0,0|1,1,0]=4 63 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 CSC000188238 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.132 Brc1ccc(cc1)COc2ccccc2 CSC000151822 [1,1,0,0,0,0|1,0,0]=3 65 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 CSC000189165 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 CSC000151783 [1,1,0,0,0,0|1,0,0]=3 67 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 CSC009814484 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 CSC000187236 [1,1,0,0,0,0|2,0,0]=4 69 B16R2.132 Cc1ccc(cc1)CNc2cccnc2 CSC000712801 [1,1,0,0,0,0|1,0,0]=3 70 B16R2.132 Cc1ccc(cc1)COc2ccccc2 CSC000151826 [1,1,0,0,0,0|1,0,0]=3 71 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 CSC000000813 [1,1,0,0,0,0|1,1,0]=4 72 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 CSC000151804 [1,1,0,0,0,0|1,0,0]=3 73 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 CSC000006809 [1,1,0,0,0,0|1,1,0]=4 74 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 CSC032853044 [1,1,0,0,0,0|2,0,0]=4 75 B16R2.132 Clc1ccc(cc1)CNc2cnccn2 CSC000156186 [1,1,0,0,0,0|2,0,0]=4 76 B16R2.132 Clc1ccc(cc1)COc2ccccc2 CSC000151820 [1,1,0,0,0,0|1,0,0]=3 77 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 CSC000000820 [1,1,0,0,0,0|1,1,0]=4 78 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 CSC000187240 [1,1,0,0,0,0|2,0,0]=4 79 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 CSC000151798 [1,1,0,0,0,0|1,0,0]=3 80 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 CSC000024806 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.132 Fc1ccc(cc1)COc2ccccc2 CSC000151825 [1,1,0,0,0,0|1,0,0]=3 82 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 CSC000000824 [1,1,0,0,0,0|1,1,0]=4 83 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 CSC000187247 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 CSC000187043 [1,1,0,0,0,0|2,0,0]=4 85 B16R2.132 Fc1ccc(cc1)OCc2ccccc2 CSC000151815 [1,1,0,0,0,0|1,0,0]=3 86 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 CSC047495018 [1,1,0,0,0,0|1,1,0]=4 87 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 CSC000188239 [1,1,0,0,0,0|2,0,0]=4 88 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 CSC011362052 [1,1,0,0,0,0|1,1,0]=4 89 B16R2.252 Brc1cccc(c1)OCc2ccccc2 CSC000151840 [1,1,0,0,0,0|1,0,0]=3 90 B16R2.252 Brc1cccc(c1)OCc2ccccn2 CSC011214830 [1,1,0,0,0,0|2,0,0]=4 91 B16R2.252 Cc1cccc(c1)SCc2ccccc2 CSC000055753 [1,1,0,0,0,0|1,1,0]=4 92 B16R2.252 Clc1cccc(c1)CSc2ccccc2 CSC000000822 [1,1,0,0,0,0|1,1,0]=4 93 B16R2.252 Clc1cccc(c1)NCc2ccccc2 CSC000224541 [1,1,0,0,0,0|2,0,0]=4 94 B16R2.252 Fc1cccc(c1)COc2ccccc2 CSC000151828 [1,1,0,0,0,0|1,0,0]=3 95 B16R2.252 Fc1cccc(c1)CSc2ccccc2 CSC000000815 [1,1,0,0,0,0|1,1,0]=4 96 B16R2.252 Fc1cccc(c1)OCc2ccccc2 CSC000151861 [1,1,0,0,0,0|1,0,0]=3 97 B16R2.252 Nc1cccc(c1)COc2ccccc2 CSC000743254 [1,1,0,0,0,0|1,0,0]=3 98 B16R2.252 Oc1cccc(c1)CNc2ccccc2 CSC011230791 [1,1,0,0,0,0|2,0,0]=4 99 B16R2.172 CNc1ccccc1Cc2ccccc2 CSC000221167 [0,1,0,0,1,0|1,0,0]=3 100 B16R2.172 CNc1ccccc1Sc2ccccc2 CSC011806251 [0,1,0,0,1,0|1,1,0]=4 101 B18R2.3990 Clc1ccccc1OCC(=O)c2ccccc2 CSC000247961 [0,1,0,0,0,1|2,0,0]=4 102 B18R2.4001 Clc1ccccc1C(=O)OCc2ccccc2 CSC000000716 [0,1,0,0,0,1|2,0,0]=4 103 B18R2.4001 Fc1ccccc1C(=O)OCc2ccccc2 CSC000150785 [0,1,0,0,0,1|2,0,0]=4 104 B18R2.327 Brc1ccc(cc1)COc2ccccc2C#N CSC000248582 [0,2,0,0,0,0|1,0,1]=4 105 B18R2.327 COc1ccccc1OCc2ccc(cc2)Br CSC000248859 [0,2,0,0,0,0|2,0,0]=4 106 B18R2.327 COc1ccccc1OCc2ccc(cc2)Cl CSC048168236 [0,2,0,0,0,0|2,0,0]=4 107 B18R2.327 Cc1ccc(cc1)COc2ccccc2C#N CSC000577977 [0,2,0,0,0,0|1,0,1]=4 108 B18R2.327 Cc1ccc(cc1)COc2ccccc2CO CSC000654093 [0,2,0,0,0,0|2,0,0]=4 109 B18R2.327 Clc1ccc(cc1)COc2ccccc2C#N CSC000577973 [0,2,0,0,0,0|1,0,1]=4 110 B18R2.327 OCc1ccccc1OCc2ccc(cc2)Br CSC000304419 [0,2,0,0,0,0|2,0,0]=4 111 B18R2.327 OCc1ccccc1OCc2ccc(cc2)F CSC000595780 [0,2,0,0,0,0|2,0,0]=4 112 B18R2.327 OCc1ccccc1OCc2ccc(cc2)I CSC000376926 [0,2,0,0,0,0|2,0,0]=4 113 B18R2.444 COc1ccccc1OCc2cccc(c2)Br CSC000257668 [0,2,0,0,0,0|2,0,0]=4 114 B18R2.444 OCc1ccccc1OCc2cccc(c2)Cl CSC000524587 [0,2,0,0,0,0|2,0,0]=4 115 B18R2.444 OCc1ccccc1OCc2cccc(c2)F CSC000654088 [0,2,0,0,0,0|2,0,0]=4 116 B18R2.1039 Brc1ccccc1COc2ccccc2C#N CSC000257637 [0,2,0,0,0,0|1,0,1]=4 117 B18R2.1039 Cc1ccccc1COc2ccccc2C#N CSC000577985 [0,2,0,0,0,0|1,0,1]=4 118 B18R2.1039 Clc1ccccc1COc2ccccc2C#N CSC000481002 [0,2,0,0,0,0|1,0,1]=4 119 B18R2.1039 OCc1ccccc1OCc2ccccc2Cl CSC000490410 [0,2,0,0,0,0|2,0,0]=4 120 B18R2.1039 OCc1ccccc1OCc2ccccc2F CSC000612735 [0,2,0,0,0,0|2,0,0]=4 121 B18R2.1046 Brc1ccc(c(c1)C#N)OCc2ccccc2 CSC000188256 [0,2,0,0,0,0|1,0,1]=4 122 B18R2.7138 NC(=O)c1ccccc1CCc2ccccc2 CSC046221432 [0,2,0,0,0,0|2,0,0]=4 123 B18R2.7138 [O-][N+](=O)c1ccccc1OCc2ccccc2 CSC000000801 [0,2,0,0,0,0|1,0,1]=4 124 B18R2.9252 Fc1ccc(c(c1)F)OCc2ccc(cc2)Br CSC000296533 [0,2,0,0,0,0|2,0,0]=4 125 B18R2.9254 Fc1ccc(c(c1)OCc2ccc(cc2)Br)F CSC005736954 [0,2,0,0,0,0|2,0,0]=4 126 B18R2.33281 Fc1ccc(c(c1)Br)OCc2ccccc2F CSC000248622 [0,2,0,0,0,0|2,0,0]=4 127 B18R2.33281 Fc1ccc(c(c1)F)OCc2ccccc2Br CSC000296538 [0,2,0,0,0,0|2,0,0]=4 128 B18R2.1666 Ic1cc(ccc1OCc2ccccc2)C#N CSC011084124 [0,2,0,0,0,0|2,0,0]=4 129 B18R2.65901 Cc1ccc(c(c1)C)OCc2cccc(c2)N CSC000639287 [0,2,0,0,0,0|2,0,0]=4 130 B18R2.65901 Fc1ccc(c(c1)F)OCc2cccc(c2)Br CSC000296539 [0,2,0,0,0,0|2,0,0]=4 131 B18R2.65901 Fc1cccc(c1)COc2ccc(cc2Br)F CSC000248630 [0,2,0,0,0,0|2,0,0]=4 132 B18R2.118284 Cc1ccccc1OCc2cccc(c2)C#N CSC000391517 [0,2,0,0,0,0|2,0,0]=4 133 B18R3.32722 Clc1cnc2[nH]c(nc2c1)c3ccccc3 CSC009997096 [0,1,0,1,0,0|1,0,1]=4 134 B14R2.101 C(Nc1cccnc1)c2ccsc2 CSC000749520 [1,0,0,0,1,0|2,0,0]=4 135 B14R2.101 C(Sc1ncc[nH]1)c2ccccc2 CSC009928223 [1,0,0,0,1,0|1,1,0]=4 136 B14R2.24 Cc1ccccc1c2ccccc2 CSC000035869 [0,0,0,0,2,0|2,0,0]=4 137 B14R2.24 Fc1ccccc1c2ccccc2 CSC000039657 [0,0,0,0,2,0|2,0,0]=4 138 B14R2.24 Nc1ccccc1c2ccccc2 CSC000210918 [0,0,0,0,2,0|1,0,0]=3 139 B14R2.24 Nc1ccccc1c2cccnc2 CSC011399838 [0,0,0,0,2,0|2,0,0]=4 140 B14R2.24 Nc1cccnc1c2ccccc2 CSC000706567 [0,0,0,0,2,0|2,0,0]=4 141 B14R2.30 Cc1nccn1Cc2ccccc2 CSC011215648 [0,0,0,0,2,0|2,0,0]=4