0 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.1 CC1CCc2c1nccn2 TS05914 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 Cc1c2c([nH]n1)nccn2 TS89715 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.1 Cc1c2c(cccn2)[nH]n1 TS89959 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,0,0,0,0,0|2,0,2]=4 8 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [0,0,0,0,0,0|2,0,2]=4 9 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,0,0,0,0,0|3,0,0]=3 19 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.1 c1cnc2c(n1)c(c[nH]2)Br TS91624 [0,0,0,0,0,0|2,0,2]=4 27 B11R2.1 c1cnc2c(n1)c(c[nH]2)I TS90576 [0,0,0,0,0,0|2,0,2]=4 28 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [1,0,0,0,0,0|2,0,0]=3 29 B10R2.7 c1c2c(ncn1)CNC2 TS01201 [1,0,0,0,0,0|3,0,0]=4 30 B10R2.7 c1c[nH]c2c1nccn2 TS70840 [1,0,0,0,0,0|1,0,2]=4 31 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,0,0,0|1,0,0]=2 32 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [1,0,0,0,0,0|2,0,0]=3 33 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [1,0,0,0,0,0|2,0,0]=3 34 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,0,0,0|2,0,0]=3 35 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,0,0,0|2,0,0]=3 36 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,0,0,0|3,0,0]=4 37 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,0,0,0|3,0,0]=4 38 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,0,0,0|3,0,0]=4 39 B10R2.7 c1cnc2c(n1)CNC2 TS29457 [1,0,0,0,0,0|1,0,0]=2 40 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [0,1,0,0,0,0|2,0,1]=4 41 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,0,0,0|2,0,0]=3 42 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.132 c1cc(nc2c1CCC2=O)Cl TS43276 [0,1,0,0,0,0|2,0,1]=4 55 B12R2.132 c1cc(nc2c1CCC2O)Cl TS32913 [0,1,0,0,0,0|2,0,0]=3 56 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,0,1,0,0,0|3,0,0]=4 72 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,0,1,0,0,0|3,0,0]=4 73 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,0,1,0,0,0|3,0,0]=4 74 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,0,1,0,0,0|2,0,1]=4 75 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,0,1,0,0,0|2,0,1]=4 76 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,0,1,0,0,0|1,0,1]=3 77 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,0,1,0,0,0|2,0,0]=3 78 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,0,1,0,0,0|0,0,0]=1 79 B10R1.15 CCC(c1ccccc1)N TS36947 [0,0,1,0,0,0|3,0,0]=4 80 B10R1.15 CCC(c1ccccc1)O TS37007 [0,0,1,0,0,0|3,0,0]=4 81 B10R1.15 CCC(c1cnccn1)N TS90912 [0,0,1,0,0,0|1,0,0]=2 82 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,0,1,0,0,0|3,0,0]=4 83 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,0,1,0,0,0|3,0,0]=4 84 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,0,1,0,0,0|3,0,0]=4 85 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,0,1,0,0,0|2,0,1]=4 86 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,0,1,0,0,0|3,0,0]=4 87 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,0,1,0,0,0|3,0,0]=4 88 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,0,1,0,0,0|3,0,0]=4 89 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,0,1,0,0,0|3,0,0]=4 90 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,0,1,0,0,0|3,0,0]=4 91 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,0,1,0,0,0|3,0,0]=4 92 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,0,1,0,0,0|3,0,0]=4 93 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,0,1,0,0,0|3,0,0]=4 94 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,0,1,0,0,0|3,0,0]=4 95 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,0,1,0,0,0|2,0,1]=4 96 B10R1.17 CCCC[n+]1ccccc1 TS21989 [0,0,1,0,0,0|3,0,0]=4 97 B10R1.17 CCCC[n+]1ccccc1 TS45400 [0,0,1,0,0,0|3,0,0]=4 98 B10R1.17 CCCCc1ccccc1 TS36870 [0,0,1,0,0,0|2,0,0]=3 99 B10R1.17 CCCCc1ccccn1 TS06002 [0,0,1,0,0,0|1,0,0]=2 100 B10R1.17 CCCCc1cccnc1 TS06012 [0,0,1,0,0,0|1,0,0]=2 101 B10R1.17 CCCCc1ccncc1 TS06014 [0,0,1,0,0,0|3,0,0]=4 102 B10R1.17 CCCNc1ccccc1 TS36942 [0,0,1,0,0,0|3,0,0]=4 103 B10R1.17 CCCOc1ccccc1 TS37010 [0,0,1,0,0,0|3,0,0]=4 104 B10R1.17 CCCSc1ccccc1 TS41194 [0,0,1,0,0,0|3,0,0]=4 105 B10R1.17 CCNCc1ccccc1 TS06015 [0,0,1,0,0,0|3,0,0]=4 106 B10R1.17 CCOCc1ccccc1 TS37009 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.17 CCSCc1ccccc1 TS41200 [0,0,1,0,0,0|3,0,0]=4 108 B10R1.17 CNCCc1ccccc1 TS01606 [0,0,1,0,0,0|3,0,0]=4 109 B10R1.17 CNCCc1ccccn1 TS37041 [0,0,1,0,0,0|2,0,0]=3 110 B10R1.17 CNCCc1ccccn1 TS63536 [0,0,1,0,0,0|2,0,0]=3 111 B10R1.17 CNCCc1ccccn1 TS65180 [0,0,1,0,0,0|2,0,0]=3 112 B10R1.17 CNCCc1cccnc1 TS08004 [0,0,1,0,0,0|2,0,0]=3 113 B10R1.17 COCCc1ccccc1 TS06081 [0,0,1,0,0,0|3,0,0]=4 114 B10R1.17 COCCc1ccccn1 TS06192 [0,0,1,0,0,0|2,0,0]=3 115 B10R1.17 COCOc1cccnc1 TS06375 [0,0,1,0,0,0|3,0,0]=4 116 B10R1.17 c1cc(cnc1)CCC#N TS05740 [0,0,1,0,0,0|2,0,1]=4 117 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,0,1,0,0,0|2,0,0]=3 118 B10R1.17 c1ccc(cc1)CCCCl TS41470 [0,0,1,0,0,0|3,0,0]=4 119 B10R1.17 c1ccc(cc1)CCCN TS36954 [0,0,1,0,0,0|3,0,0]=4 120 B10R1.17 c1ccc(cc1)CCCO TS37013 [0,0,1,0,0,0|3,0,0]=4 121 B10R1.17 c1ccc(cc1)CCCS TS41196 [0,0,1,0,0,0|3,0,0]=4 122 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,0,1,0,0,0|2,0,0]=3 123 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,0,1,0,0,0|2,0,0]=3 124 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,0,1,0,0,0|3,0,0]=4 125 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,0,1,0,0,0|3,0,0]=4 126 B10R1.20 CCc1c(nccn1)CC TS37039 [0,0,1,0,0,0|0,0,0]=1 127 B10R1.20 CCc1c(nccn1)OC TS06275 [0,0,1,0,0,0|1,0,0]=2 128 B10R1.20 CCc1c(nccn1)SC TS41416 [0,0,1,0,0,0|1,0,0]=2 129 B10R1.20 CCc1ccccc1CC TS36854 [0,0,1,0,0,0|2,0,0]=3 130 B10R1.20 CCc1ccccc1OC TS06091 [0,0,1,0,0,0|3,0,0]=4 131 B10R1.20 CCc1ccncc1CC TS36953 [0,0,1,0,0,0|3,0,0]=4 132 B10R1.20 CNc1c(cccn1)CO TS00522 [0,0,1,0,0,0|3,0,0]=4 133 B10R1.20 COc1c(cccn1)CN TS85674 [0,0,1,0,0,0|3,0,0]=4 134 B10R1.20 COc1c(cccn1)CN TS86802 [0,0,1,0,0,0|3,0,0]=4 135 B10R1.20 COc1c(cccn1)CO TS88118 [0,0,1,0,0,0|3,0,0]=4 136 B10R1.20 COc1c(nncn1)CN TS92875 [0,0,1,0,0,0|3,0,0]=4 137 B10R1.20 COc1cccnc1CN TS06271 [0,0,1,0,0,0|3,0,0]=4 138 B10R1.20 COc1cccnc1CO TS08026 [0,0,1,0,0,0|3,0,0]=4 139 B10R1.20 COc1cccnc1OC TS16354 [0,0,1,0,0,0|3,0,0]=4 140 B10R1.20 CSc1c(cccn1)CCl TS50635 [0,0,1,0,0,0|3,0,0]=4 141 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [0,0,1,0,0,0|3,0,0]=4 142 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,0,1,0,0,0|2,0,1]=4 143 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,0,1,0,0,0|2,0,1]=4 144 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,0,1,0,0,0|3,0,0]=4 145 B10R1.61 CC(C)c1ccccc1F TS06286 [0,0,1,0,0,0|3,0,0]=4 146 B10R1.61 CC(C)c1ccccc1I TS27403 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.61 CC(C)c1ccccc1N TS06016 [0,0,1,0,0,0|3,0,0]=4 148 B10R1.61 CC(C)c1ccccc1O TS06094 [0,0,1,0,0,0|3,0,0]=4 149 B10R1.61 CC(C)c1ccccc1S TS41199 [0,0,1,0,0,0|3,0,0]=4 150 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,0,1,0,0,0|3,0,0]=4 151 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,0,1,0,0,0|3,0,0]=4 152 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.61 CC(c1cccnc1N)O TS37203 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,0,1,0,0,0|1,0,1]=3 155 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,0,1,0,0,0|2,0,1]=4 156 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,0,1,0,0,0|3,0,0]=4 157 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,0,1,0,0,0|3,0,0]=4 158 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,0,1,0,0,0|3,0,0]=4 159 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,0,1,0,0,0|3,0,0]=4 160 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,0,1,0,0,0|3,0,0]=4 161 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,1,0,0|3,0,0]=4 162 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,0,1,0|3,0,0]=4 163 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,0,0,1|2,0,0]=3 164 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,0,0,1|3,0,0]=4 165 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,0,0,1|3,0,0]=4 166 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [0,0,0,0,0,1|0,0,3]=4 167 B12R2.24 c1cc2c(nc1)NC(=O)CC2 TS40632 [0,0,0,0,0,1|2,0,1]=4 168 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,0,0,1|3,0,0]=4 169 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,0,0,1|3,0,0]=4 170 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,0,0,1|3,0,0]=4 171 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,0,0,1|3,0,0]=4 172 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,0,0,0,0,1|2,0,0]=3 173 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,0,0,0,0,1|3,0,0]=4 174 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [0,0,0,0,0,1|0,0,3]=4 175 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 TS07350 [0,0,0,0,0,1|2,0,1]=4 176 B12R2.1081 c1cc2c(nc1)C(CCC2)Cl TS43286 [0,0,0,0,0,1|2,0,0]=3 177 B12R2.1081 c1cc2c(nc1)C(CCC2)N TS32647 [0,0,0,0,0,1|2,0,0]=3 178 B12R2.1081 c1cc2c(nc1)C(CCC2)O TS71333 [0,0,0,0,0,1|2,0,0]=3 179 B12R2.1081 c1cc2c(nc1)C(CCO2)O TS02006 [0,0,0,0,0,1|2,0,0]=3 180 B12R2.1081 c1cc2c(nc1)CCCC2=O TS01291 [0,0,0,0,0,1|2,0,1]=4 181 B12R2.1081 c1cc2c(nc1)CCCC2N TS40663 [0,0,0,0,0,1|2,0,0]=3 182 B12R2.1081 c1cc2c(nc1)CCCC2O TS07566 [0,0,0,0,0,1|2,0,0]=3 183 B12R2.1081 c1cc2c(nc1)NCCC2=O TS07434 [0,0,0,0,0,1|2,0,1]=4 184 B12R2.1081 c1cc2c(nc1)[C@@H](CCC2)N TS40673 [0,0,0,0,0,1|2,0,0]=3 185 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,0,0,0,0,1|3,0,0]=4 186 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,0,0,0,0,1|3,0,0]=4 187 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,0,0,0,0,1|3,0,0]=4 188 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,0,0,0,0,1|3,0,0]=4 189 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,0,0,0,0,1|3,0,0]=4 190 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,0,0,0,0,1|3,0,0]=4 191 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,0,0,0,0,1|3,0,0]=4 192 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,0,0,0,0,1|3,0,0]=4 193 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,0,0,0,0,1|3,0,0]=4 194 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,0,0,0,0,1|3,0,0]=4 195 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,0,0,0,0,1|3,0,0]=4 196 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,0,0,0,0,1|3,0,0]=4 197 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,0,0,0,0,1|3,0,0]=4 198 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,0,0,0,0,1|3,0,0]=4 199 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,0,0,0,0,1|3,0,0]=4 200 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,0,0,0,0,1|3,0,0]=4 201 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,0,0,0,0,1|3,0,0]=4 202 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,0,0,0,0,1|3,0,0]=4 203 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,0,0,0,0,1|3,0,0]=4 204 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,0,0,0,0,1|3,0,0]=4 205 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,1,0,0,0|1,0,1]=4 207 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,1,0,0,0|1,0,0]=3 208 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,1,0,0,0|1,0,0]=3 209 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,1,0,0,0|0,0,0]=2 210 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,1,0,0,0|2,0,0]=4 211 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,1,0,0,0|2,0,0]=4 212 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,1,0,0,0|2,0,0]=4 213 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,1,0,0,0|2,0,0]=4 214 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,1,0,0,0|1,0,0]=3 215 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,1,0,0,0|2,0,0]=4 216 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,1,0,0,0|2,0,0]=4 217 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,1,0,0,0|2,0,0]=4 218 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,1,0,0,0|2,0,0]=4 219 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,1,0,0,0|2,0,0]=4 220 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,1,0,0,0|2,0,0]=4 221 B9R1.8 CCCc1ccccc1 TS04832 [1,0,1,0,0,0|2,0,0]=4 222 B9R1.8 CCCc1ccccn1 TS85359 [1,0,1,0,0,0|1,0,0]=3 223 B9R1.8 CCCc1cnccn1 TS59984 [1,0,1,0,0,0|0,0,0]=2 224 B9R1.8 CCOc1ccccn1 TS55309 [1,0,1,0,0,0|2,0,0]=4 225 B9R1.8 CCOc1cnccn1 TS05010 [1,0,1,0,0,0|1,0,0]=3 226 B9R1.8 CNCc1ccccn1 TS51966 [1,0,1,0,0,0|2,0,0]=4 227 B9R1.8 CNCc1cccnc1 TS02609 [1,0,1,0,0,0|2,0,0]=4 228 B9R1.8 CNCc1cnccn1 TS01556 [1,0,1,0,0,0|1,0,0]=3 229 B9R1.8 COCc1ccccn1 TS00518 [1,0,1,0,0,0|2,0,0]=4 230 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,1,0,0,0|2,0,0]=4 231 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,1,0,0,0|2,0,0]=4 232 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,1,0,0,0|2,0,0]=4 233 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,1,0,0,0|2,0,0]=4 234 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,1,0,0,0|2,0,0]=4 235 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,1,0,0,0|2,0,0]=4 236 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,1,0,0,0|2,0,0]=4 237 B9R1.8 c1cnc(cn1)CC#N TS87071 [1,0,1,0,0,0|1,0,1]=4 238 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,1,0,0,0|1,0,0]=3 239 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,1,0,0,0|1,0,0]=3 240 B9R1.8 c1cnc(cn1)CNN TS88060 [1,0,1,0,0,0|2,0,0]=4 241 B9R1.15 CCc1c(nccn1)C TS04922 [1,0,1,0,0,0|0,0,0]=2 242 B9R1.15 CCc1ccccc1C TS16337 [1,0,1,0,0,0|2,0,0]=4 243 B9R1.15 CCc1cccnc1C TS32475 [1,0,1,0,0,0|1,0,0]=3 244 B9R1.15 COc1c(nccn1)Cl TS55197 [1,0,1,0,0,0|2,0,0]=4 245 B9R1.15 COc1c(nccn1)N TS47372 [1,0,1,0,0,0|2,0,0]=4 246 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,0,1,0,0,0|2,0,0]=4 247 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,0,1,0,0,0|2,0,0]=4 248 B9R1.15 Cc1c(cccn1)CN TS32520 [1,0,1,0,0,0|2,0,0]=4 249 B9R1.15 Cc1c(cccn1)CO TS04969 [1,0,1,0,0,0|2,0,0]=4 250 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,1,0,0,0|2,0,0]=4 251 B9R1.15 Cc1c(nccn1)C=O TS86293 [1,0,1,0,0,0|1,0,1]=4 252 B9R1.15 Cc1c(nccn1)CCl TS88673 [1,0,1,0,0,0|1,0,0]=3 253 B9R1.15 Cc1c(nccn1)CN TS92714 [1,0,1,0,0,0|1,0,0]=3 254 B9R1.15 Cc1c(nccn1)CO TS88558 [1,0,1,0,0,0|1,0,0]=3 255 B9R1.15 Cc1c(nccn1)OC TS55427 [1,0,1,0,0,0|1,0,0]=3 256 B9R1.15 Cc1c(nccn1)SC TS37401 [1,0,1,0,0,0|1,0,0]=3 257 B9R1.15 Cc1cccnc1CCl TS91176 [1,0,1,0,0,0|2,0,0]=4 258 B9R1.15 Cc1cccnc1CN TS32513 [1,0,1,0,0,0|2,0,0]=4 259 B9R1.15 Cc1cccnc1CO TS04977 [1,0,1,0,0,0|2,0,0]=4 260 B9R1.15 Cc1cccnc1OC TS04965 [1,0,1,0,0,0|2,0,0]=4 261 B9R1.15 c1cnc(c(n1)CCl)Cl TS88674 [1,0,1,0,0,0|2,0,0]=4 262 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [1,0,1,0,0,0|2,0,0]=4 263 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [1,0,1,0,0,0|2,0,0]=4 264 B9R1.15 c1cnc(c(n1)CO)Cl TS64972 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.7 CC(C)(C#N)c1cnccn1 TS40554 [0,1,1,0,0,0|1,0,1]=4 266 B11R1.7 CCC(C)(C)c1ccccc1 TS07501 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,1,1,0,0,0|2,0,0]=4 268 B11R1.12 B(CC)(CC)c1cccnc1 TS40488 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.12 CCC(C#N)c1ccccn1 TS40446 [0,1,1,0,0,0|1,0,1]=4 270 B11R1.12 CCC(CC)c1ccccc1 TS07502 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.12 CCC(CC)c1ccccn1 TS40770 [0,1,1,0,0,0|1,0,0]=3 272 B11R1.12 CCN(CC)c1ccccn1 TS09932 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.12 c1ccnc(c1)C(CO)CO TS41268 [0,1,1,0,0,0|2,0,0]=4 274 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,1,1,0,0,0|2,0,0]=4 275 B11R1.16 CC(CNC)c1ccccc1 TS15544 [0,1,1,0,0,0|2,0,0]=4 276 B11R1.16 CCCC(C)c1ccccc1 TS40687 [0,1,1,0,0,0|2,0,0]=4 277 B11R1.16 CCCC(c1cnccn1)N TS10091 [0,1,1,0,0,0|1,0,0]=3 278 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,1,1,0,0,0|1,0,1]=4 279 B11R1.16 CN(CCO)c1ccccn1 TS41163 [0,1,1,0,0,0|2,0,0]=4 280 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,1,0,0,0|2,0,0]=4 281 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,1,0,0,0|2,0,0]=4 282 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,1,0,0,0|2,0,0]=4 283 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,1,0,0,0|2,0,0]=4 284 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,1,0,0,0|2,0,0]=4 285 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [0,1,1,0,0,0|2,0,0]=4 286 B11R1.1 CCCCc1ccc(cc1)C TS07510 [0,1,1,0,0,0|2,0,0]=4 287 B11R1.1 CCCCc1ccc(cc1)I TS29429 [0,1,1,0,0,0|2,0,0]=4 288 B11R1.1 CCCCc1ccc(cc1)N TS07605 [0,1,1,0,0,0|2,0,0]=4 289 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.1 CCCCc1ccc(cc1)S TS43140 [0,1,1,0,0,0|2,0,0]=4 291 B11R1.1 CCCCc1ccc(nc1)C TS40771 [0,1,1,0,0,0|1,0,0]=3 292 B11R1.1 CCCCc1cnc(nc1)Cl TS59722 [0,1,1,0,0,0|2,0,0]=4 293 B11R1.17 CCCCc1c(nccn1)C TS09951 [0,1,1,0,0,0|0,0,0]=2 294 B11R1.17 CCCCc1ccccc1N TS07609 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.17 c1cnc(c(n1)NCCO)Cl TS13417 [0,1,1,0,0,0|2,0,0]=4 296 B11R1.24 CCCOc1cncc(n1)C TS41155 [0,1,1,0,0,0|1,0,0]=3 297 B11R1.28 CCCCCc1ccccc1 TS07508 [0,1,1,0,0,0|2,0,0]=4 298 B11R1.28 CCCCCc1ccccn1 TS07608 [0,1,1,0,0,0|1,0,0]=3 299 B11R1.28 CCCCNc1ccccc1 TS07616 [0,1,1,0,0,0|2,0,0]=4 300 B11R1.28 CCCCOc1ccccc1 TS40903 [0,1,1,0,0,0|2,0,0]=4 301 B11R1.28 CCCCOc1ccccn1 TS41040 [0,1,1,0,0,0|1,0,0]=3 302 B11R1.28 CCCNCc1ccccc1 TS40768 [0,1,1,0,0,0|2,0,0]=4 303 B11R1.28 CCOCCc1ccccn1 TS41030 [0,1,1,0,0,0|1,0,0]=3 304 B11R1.28 CNCCCc1ccccc1 TS07594 [0,1,1,0,0,0|2,0,0]=4 305 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [0,1,1,0,0,0|2,0,0]=4 306 B11R1.28 c1ccc(cc1)CCCCN TS40769 [0,1,1,0,0,0|2,0,0]=4 307 B11R1.28 c1ccc(cc1)CCCCO TS09769 [0,1,1,0,0,0|2,0,0]=4 308 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,1,1,0,0,0|2,0,0]=4 309 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,1,0,0,0|2,0,0]=4 310 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,1,0,0,0|1,0,1]=4 311 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,1,1,0,0,0|2,0,0]=4 312 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,1,1,0,0,0|2,0,0]=4 313 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,1,1,0,0,0|2,0,0]=4 314 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,1,1,0,0,0|2,0,0]=4 315 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,1,1,0,0,0|2,0,0]=4 316 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,1,1,0,0,0|2,0,0]=4 317 B11R1.37 CCc1c(nc(cn1)C)CC TS09937 [0,1,1,0,0,0|0,0,0]=2 318 B11R1.41 CCCc1c(nccn1)OC TS41162 [0,1,1,0,0,0|1,0,0]=3 319 B11R1.41 CCc1c(nccn1)OCC TS41156 [0,1,1,0,0,0|0,0,0]=2 320 B11R1.53 CC(C)c1c(nccn1)SC TS44909 [0,1,1,0,0,0|1,0,0]=3 321 B11R1.53 CCc1c(nccn1)C(=O)C TS09880 [0,1,1,0,0,0|0,0,1]=3 322 B11R1.87 Cc1ccccc1C(C)(C)C TS07504 [0,1,1,0,0,0|2,0,0]=4 323 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,1,1,0,0,0|2,0,0]=4 324 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,1,1,0,0,0|2,0,0]=4 325 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,1,1,0,0,0|1,0,1]=4 326 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [0,1,1,0,0,0|2,0,0]=4 327 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [1,1,0,0,0,0|2,0,0]=4 328 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [1,1,0,0,0,0|2,0,0]=4 329 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [1,1,0,0,0,0|1,0,0]=3 330 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [1,1,0,0,0,0|1,0,0]=3 331 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [1,1,0,0,0,0|2,0,0]=4 332 B11R2.36 c1c(cnc2c1CNC2)Br TS85841 [1,1,0,0,0,0|2,0,0]=4 333 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [1,1,0,0,0,0|1,0,0]=3 334 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [1,1,0,0,0,0|1,0,0]=3 335 B11R2.36 c1cc(nc2c1CNC2)Cl TS88619 [1,1,0,0,0,0|2,0,0]=4 336 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,1,0,0,0,0|2,0,0]=4 337 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,1,0,0,0,0|2,0,0]=4 338 B11R2.106 c1[nH]c(=O)c2c(n1)CCC2 TS06059 [1,1,0,0,0,0|2,0,0]=4 339 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [1,1,0,0,0,0|2,0,0]=4 340 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [1,1,0,0,0,0|2,0,0]=4 341 B11R2.106 c1nc2c(c(n1)Cl)CCC2 TS41462 [1,1,0,0,0,0|2,0,0]=4 342 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.32 CC1CCc2ccccc2C1=O TS42187 [0,1,0,0,0,1|2,0,0]=4 344 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [0,1,0,0,0,1|2,0,0]=4 345 B13R2.57 c1ccc2c(c1)CCC(C2)CN TS42347 [0,1,0,0,0,1|2,0,0]=4 346 B13R2.57 c1ccc2c(c1)CCC(O2)CBr TS32908 [0,1,0,0,0,1|2,0,0]=4 347 B13R2.57 c1ccc2c(c1)CC[C@@H](O2)CN TS11720 [0,1,0,0,0,1|2,0,0]=4 348 B13R2.155 CN1CCc2c(cc(cn2)N)C1 TS16960 [0,1,0,0,0,1|2,0,0]=4 349 B13R2.155 Cc1ccc2c(c1)CC(CC2)C TS42213 [0,1,0,0,0,1|2,0,0]=4 350 B13R2.162 CC1CCc2cccc(c2N1)O TS18915 [0,1,0,0,0,1|2,0,0]=4 351 B13R2.222 CC1(CCc2ccccc2N1)C TS94352 [0,1,0,0,0,1|2,0,0]=4 352 B13R2.3683 CC1CCc2cc(ccc2N1)F TS42909 [0,1,0,0,0,1|2,0,0]=4 353 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,1,0,0,0,1|2,0,0]=4 354 B13R2.342 Cc1cccc2c1CCCC2C TS42210 [0,1,0,0,0,1|2,0,0]=4 355 B13R2.371 CC1CCC(=O)c2c1cccc2 TS42188 [0,1,0,0,0,1|2,0,0]=4 356 B13R2.371 CC1CCC(c2c1cccc2)C TS42208 [0,1,0,0,0,1|2,0,0]=4 357 B13R2.3122 CC1(CNCc2c1cccc2)C TS09560 [0,1,0,0,0,1|2,0,0]=4 358 B13R2.4818 Cc1cccc2c1C(CCC2)C TS42211 [0,1,0,0,0,1|2,0,0]=4 359 B13R2.135 COC1c2ccccc2CC1O TS11884 [0,2,0,0,0,0|2,0,0]=4 360 B13R2.12159 CC1(CC(c2c1cccc2)O)C TS11585 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,2,0,0,0|2,0,0]=4 362 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,1,1,0,0|2,0,0]=4 363 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,0,1,1,0,0|2,0,0]=4 364 B11R2.40 c1ccnc(c1)C2(CC2)N TS05915 [0,0,1,1,0,0|2,0,0]=4 365 B11R2.40 c1cnc(cn1)C2(CC2)N TS87158 [0,0,1,1,0,0|1,0,0]=3 366 B11R2.20 C1CCC2=C(C1)CC=CC2 TS36861 [0,0,1,1,0,0|2,0,0]=4 367 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,0,1,1,0,0|1,0,0]=3 368 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,0,1,1,0,0|2,0,0]=4 369 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,0,1,1,0,0|2,0,0]=4 370 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,0,1,1,0,0|2,0,0]=4 371 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,0,1,1,0,0|2,0,0]=4 372 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,0,1,1,0,0|2,0,0]=4 373 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,0,1,1,0,0|2,0,0]=4 374 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,0,1,1,0,0|2,0,0]=4 375 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,0,1,1,0,0|2,0,0]=4 376 B11R2.20 c1cnc2c(n1)CCCC2 TS71335 [0,0,1,1,0,0|0,0,0]=2 377 B11R2.20 c1cncc2c1CCCC2 TS16964 [0,0,1,1,0,0|1,0,0]=3 378 B11R2.20 c1cncc2c1CCNC2 TS05913 [0,0,1,1,0,0|2,0,0]=4 379 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [0,0,1,1,0,0|2,0,0]=4 380 B9R1.11 CCC(C)c1nccs1 TS06614 [0,0,1,0,1,0|1,0,0]=3 381 B9R2.3 c1cn2c(n1)CCC2 TS31779 [1,0,0,0,1,0|1,0,0]=3 382 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,0,1,0|2,0,0]=4 383 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [0,0,1,0,0,1|2,0,0]=4 384 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [0,0,1,0,0,1|2,0,0]=4 385 B11R1.86 Cc1c(nccn1)CC(C)C TS09939 [0,0,1,0,0,1|0,0,0]=2 386 B11R1.86 Cc1c(nccn1)OC(C)C TS41161 [0,0,1,0,0,1|0,0,0]=2