0 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,0,0,0,0,0|0,0,0]=0 20 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,0,0,0,0,0|0,0,0]=0 21 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 C#CCCc1ccccc1 TS36511 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.17 C#CCOc1ccccc1 TS36668 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 C#CCSc1ccccc1 TS07496 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.17 C=CCCc1ccncc1 TS36777 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 C=CCOc1ccccc1 TS36847 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 C=CCSc1ccccc1 TS40921 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 CCCCc1ccncc1 TS06014 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 CCCNc1ccccc1 TS36942 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.17 CCCOc1ccccc1 TS37010 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 CCCSc1ccccc1 TS41194 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 CCNCc1ccccc1 TS06015 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 CCNCc1ccncc1 TS37037 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 CCOCc1ccccc1 TS37009 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 CCSCc1ccccc1 TS41200 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 CNCCc1ccccc1 TS01606 [1,0,0,0,0,0|0,0,0]=1 58 B10R1.17 CNCCc1ccccn1 TS37041 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.17 CNCCc1ccccn1 TS63536 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.17 CNCCc1ccccn1 TS65180 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.17 CNCCc1cccnc1 TS08004 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.17 CNCCc1ccncc1 TS37035 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.17 COC=Cc1ccccc1 TS36842 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.17 COC=Nc1ccccc1 TS36922 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 COCCc1ccccc1 TS06081 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.17 COCCc1ccccn1 TS06192 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 COCOc1ccccc1 TS06260 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 COCOc1cccnc1 TS06375 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 COCSc1ccccc1 TS10468 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.17 CSCOc1ccccc1 TS10467 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 CSSCc1ccccc1 TS12900 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,0,0,0,0,0|0,0,2]=3 73 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.17 c1cnccc1CCCN TS37023 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.17 c1cnccc1CCCO TS37120 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,0,0,0,0|0,0,2]=3 109 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,0,0,0,0|0,0,2]=3 110 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,0,0,0,0,0|0,0,0]=1 121 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.18 CC(C)Cc1cnccn1 TS06100 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.18 CC(C)Nc1cccnc1 TS64905 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.18 CC(C)Nc1ccncc1 TS64906 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,0,0,0,0,0|1,0,0]=2 129 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,0,0,0,0,0|1,0,0]=2 130 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,0,0,0,0,0|0,0,0]=1 131 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,0,0,0,0,0|1,0,0]=2 132 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,0,0,0,0,0|0,0,0]=1 138 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,0,0,0,0,0|0,0,0]=1 139 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,0,0,0,0,0|0,1,0]=2 140 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,0,0,0,0,0|1,0,1]=3 143 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,0,0,0,0,0|2,1,0]=4 155 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,0,0,0,0,0|2,0,1]=4 157 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.32 CCNC(=S)Nc1ccccc1 TS14654 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,1,0,0,0,0|0,0,0]=1 162 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.32 CN(CCN)Cc1ccccc1 TS64933 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,1,0,0,0,0|1,0,1]=3 166 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [0,1,0,0,0,0|0,0,1]=2 168 B12R1.34 CC(C(c1ccccc1)O)NC TS42942 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.34 CCC(C(=O)c1ccccc1)I TS33564 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.34 CCC(C)C(c1ccccc1)O TS42791 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.34 COC(=O)C(c1ccccc1)Br TS52792 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.34 COC(=O)C(c1ccccc1)Cl TS15391 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.34 COC(=O)C(c1ccccc1)F TS44841 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.34 COC(=O)C(c1ccccc1)O TS12191 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.34 COC(=O)[C@@H](c1ccccc1)N TS19278 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.34 COC(=O)[C@@H](c1ccccc1)O TS12187 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.34 COC(=O)[C@H](c1ccccc1)N TS19277 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.34 COC(=O)[C@H](c1ccccc1)O TS43052 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS38186 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS52646 [0,1,0,0,0,0|0,0,0]=1 181 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS38184 [0,1,0,0,0,0|0,0,0]=1 182 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS42938 [0,1,0,0,0,0|0,0,0]=1 183 B12R1.34 C[C@H]([C@H](c1ccccc1)O)NC TS16810 [0,1,0,0,0,0|0,0,0]=1 184 B12R1.34 c1ccc(cc1)C(C(=O)NN)O TS43056 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.34 c1ccc(cc1)C(C(=O)NO)O TS43202 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.34 c1ccc(cc1)C(C(C=O)Br)Br TS35452 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 TS15388 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.43 C[C@H](C(=O)N)Nc1ccccc1 TS42764 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.49 CC(Cc1ccc(cc1)O)NC TS42944 [0,1,0,0,0,0|0,0,0]=1 213 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.50 c1cc(cc(c1)Cl)CC(=O)NN TS48671 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.118 CCN(CC)Cc1ccccc1 TS42632 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.118 COC(Cc1ccccc1)OC TS12247 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.118 COC(OC)[SiH2]c1ccccc1 TS48321 [0,1,0,0,0,0|1,1,0]=3 236 B12R1.118 CO[SiH](Cc1ccccc1)C=C TS14283 [0,1,0,0,0,0|1,1,1]=4 237 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.194 CC(C)(Cc1ccccc1)NC TS11761 [0,1,0,0,0,0|0,0,0]=1 239 B12R1.194 CC(C)(Cc1ccccc1)NC TS69953 [0,1,0,0,0,0|0,0,0]=1 240 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.371 c1ccc(c(c1)CC(=O)NN)Cl TS48674 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,0,0,1,0,0|2,0,0]=3 249 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,0,0,1,0,0|1,0,0]=2 250 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,0,0,1,0,0|1,0,0]=2 251 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,0,0,1,0,0|2,0,0]=3 252 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,0,0,1,0,0|1,0,1]=3 253 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,1,0,0|2,0,1]=4 254 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,0,0,1,0,0|2,0,1]=4 255 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,0,0,1,0,0|2,0,1]=4 256 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,0,0,1,0,0|0,0,2]=3 257 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,0,0,1,0,0|1,0,2]=4 258 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [0,0,0,1,0,0|2,0,1]=4 259 B12R2.18 Cn1c2ccccc2nc1N TS40545 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,0,0,1,0,0|2,0,1]=4 262 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,0,0,1,0,0|2,0,1]=4 263 B12R2.18 Cn1c2ccccc2sc1=S TS48129 [0,0,0,1,0,0|2,0,1]=4 264 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,0,0,1,0,0|3,0,0]=4 265 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,0,0,1,0,0|3,0,0]=4 266 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,0,0,1,0,0|3,0,0]=4 267 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,0,0,1,0,0|3,0,0]=4 268 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,0,0,1,0,0|3,0,0]=4 269 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,0,0,1,0,0|3,0,0]=4 270 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,0,0,1,0,0|3,0,0]=4 272 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,0,0,1,0,0|3,0,0]=4 273 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,0,0,1,0,0|3,0,0]=4 274 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,0,0,1,0,0|3,0,0]=4 275 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,0,0,1,0,0|3,0,0]=4 276 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,0,0,1,0,0|3,0,0]=4 277 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,0|2,0,0]=3 278 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,1,0,0|3,0,0]=4 279 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,0|0,0,0]=1 280 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,0|1,0,1]=3 281 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,0|2,0,1]=4 282 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,0,0,1,0,0|3,0,0]=4 283 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,1,0,0|3,0,0]=4 285 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,0|2,0,1]=4 287 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,0|2,0,0]=3 288 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,0|2,0,0]=3 289 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,0|2,0,0]=3 290 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,0|2,0,0]=3 291 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [0,0,0,1,0,0|3,0,0]=4 292 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [0,0,0,1,0,0|3,0,0]=4 293 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,0,0,1,0,0|1,0,2]=4 294 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,0,0,1,0,0|0,0,0]=1 295 B12R2.32 CNc1nc2ccccc2s1 TS11921 [0,0,0,1,0,0|2,0,1]=4 296 B12R2.32 c1ccc2c(c1)CC(=NO)C2 TS07338 [0,0,0,1,0,0|1,0,2]=4 297 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,0,0,1,0,0|3,0,0]=4 298 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,0,0,1,0,0|3,0,0]=4 299 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,0,0,1,0,0|3,0,0]=4 300 B12R2.2058 c1ccc(cc1)OC2CNC2 TS87035 [0,0,0,1,0,0|3,0,0]=4 301 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,0,0,1,0,0|2,0,0]=3 302 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,0,0,0,1,0|2,0,1]=4 303 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,0,0,0,1,0|2,0,1]=4 304 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,0,0,0,1,0|2,0,1]=4 305 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,0,0,0,1,0|2,0,1]=4 306 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,0,0,0,1,0|2,0,1]=4 307 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,0,0,0,1,0|1,0,2]=4 308 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,0,0,0,1,0|1,0,2]=4 309 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,0,0,0,1,0|2,0,0]=3 310 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,0,0,0,1,0|2,0,0]=3 311 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,0,0,0,1,0|2,0,0]=3 312 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,0,0,0,1,0|0,0,2]=3 313 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,0,0,1,0|1,0,1]=3 314 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,0,0,0,1,0|1,0,2]=4 315 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,0,0,0,1,0|2,0,1]=4 316 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,0,0,0,1,0|1,0,0]=2 317 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,0,0,0,1,0|3,0,0]=4 318 B10R1.15 CCC(c1ccccc1)N TS36947 [0,0,0,0,1,0|2,0,0]=3 319 B10R1.15 CCC(c1ccccc1)O TS37007 [0,0,0,0,1,0|2,0,0]=3 320 B10R1.15 CCC(c1ccncc1)N TS06101 [0,0,0,0,1,0|3,0,0]=4 321 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,0,0,0,1,0|2,0,0]=3 322 B10R1.15 CCN(c1ccccc1)N TS06110 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,0,0,0,1,0|2,0,0]=3 324 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,0,0,0,1,0|2,0,0]=3 325 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,0,0,0,1,0|2,0,1]=4 327 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,0,0,0,1,0|1,0,1]=3 328 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,0,0,0,1,0|2,0,1]=4 329 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,0,0,0,1,0|2,0,1]=4 330 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,0,0,0,1,0|2,0,1]=4 331 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,0,0,0,1,0|3,0,0]=4 332 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,0,0,0,1,0|2,0,0]=3 333 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,0,0,0,1,0|2,0,0]=3 334 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,0,0,0,1,0|0,0,0]=1 335 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,0,0,0,1,0|1,0,0]=2 336 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,0,0,0,1,0|2,0,0]=3 337 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,0,0,0,1,0|2,0,0]=3 338 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,0,0,0,1,0|2,0,0]=3 339 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,0,0,0,1,0|0,0,0]=1 340 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,0,0,0,1,0|1,0,0]=2 341 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,0,0,0,1,0|0,0,2]=3 342 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,0,0,0,1,0|2,0,1]=4 343 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,0,0,0,1,0|2,0,1]=4 344 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,0,0,0,1,0|2,0,1]=4 345 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,0,0,0,1,0|2,0,1]=4 346 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,0,0,0,1,0|3,0,0]=4 347 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,0,0,0,1,0|3,0,0]=4 348 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,0,0,0,1,0|3,0,0]=4 349 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,0,0,0,1,0|3,0,0]=4 350 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,0,0,0,1,0|3,0,0]=4 351 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,0,0,0,1,0|3,0,0]=4 352 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,0,0,0,1,0|3,0,0]=4 353 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,0,0,0,1,0|3,0,0]=4 354 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,0,0,0,1,0|3,0,0]=4 355 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,0,0,0,1,0|3,0,0]=4 356 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,0,0,0,1,0|3,0,0]=4 357 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,0,0,0,1,0|3,0,0]=4 358 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,0,0,0,1,0|3,0,0]=4 359 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,0,0,0,1,0|3,0,0]=4 360 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,0,0,0,1,0|3,0,0]=4 361 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,0,0,0,1,0|3,0,0]=4 362 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,0,0,0,1,0|3,0,0]=4 363 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,0,0,0,1,0|3,0,0]=4 364 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,0,0,0,1,0|3,0,0]=4 365 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,0,0,0,0,1|0,0,2]=3 366 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,0,0,0,0,1|2,0,0]=3 367 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,0,0,0,0,1|2,0,1]=4 368 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,0,0,0,0,1|2,0,1]=4 369 B12R1.27 CCC(C#Cc1ccccc1)O TS42190 [0,0,0,0,0,1|2,0,1]=4 370 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,0,0,0,0,1|1,0,1]=3 371 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,0,0,0,0,1|2,0,1]=4 372 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,0,0,0,0,1|2,0,1]=4 373 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,0,0,0,0,1|2,0,1]=4 374 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,0,0,0,0,1|2,0,1]=4 375 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,0,0,0,0,1|2,0,0]=3 376 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,0,0,0,0,1|2,0,1]=4 377 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,0,0,0,0,1|2,0,1]=4 378 B12R1.27 c1ccc(cc1)CNC(=S)NN TS48122 [0,0,0,0,0,1|2,0,1]=4 379 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [0,0,0,0,0,1|2,0,1]=4 380 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [0,0,0,0,0,1|2,0,1]=4 381 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,0,0,0,0,1|2,0,1]=4 382 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,0,0,0,0,1|3,0,0]=4 383 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,0,0,0,0,1|3,0,0]=4 384 B9R0.45 CCCCC=CC=CC=O TS37223 [1,0,1,0,0,0|2,0,0]=4 385 B9R1.8 C#CCc1ccccc1 TS32230 [2,0,0,0,0,0|0,0,2]=4 386 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|0,0,2]=4 387 B9R1.8 CC#Cc1ccccc1 TS04599 [2,0,0,0,0,0|0,0,2]=4 388 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|0,0,2]=4 389 B9R1.8 CCC[n+]1ccccc1 TS38202 [2,0,0,0,0,0|1,0,0]=3 390 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|0,0,0]=2 391 B9R1.8 CCCc1ccccn1 TS85359 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.8 CCCc1cnccn1 TS59984 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|1,0,0]=3 394 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|1,0,0]=3 395 B9R1.8 CCOc1ccccn1 TS55309 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.8 CCOc1ccncc1 TS04974 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|0,0,0]=2 399 B9R1.8 CNCc1ccccn1 TS51966 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.8 CNCc1cccnc1 TS02609 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.8 CNCc1ccncc1 TS65238 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.8 CNCc1ccncn1 TS32568 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.8 CNCc1cnccn1 TS01556 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.8 CNCc1cncnc1 TS91331 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.8 CNCc1ncccn1 TS90445 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.8 CNNc1ccccc1 TS85406 [2,0,0,0,0,0|1,0,0]=3 407 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.8 COCc1ccccn1 TS00518 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.8 CSSc1ccccc1 TS41708 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [2,0,0,0,0,0|0,0,2]=4 412 B9R1.8 c1cc(cnc1)CCN TS41995 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.8 c1cc(cnc1)CCN TS65667 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.8 c1cc(cnc1)CCO TS39614 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.8 c1cc(cnc1)CNN TS87066 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.8 c1ccc(cc1)C=CN TS55760 [2,0,0,0,0,0|0,0,2]=4 417 B9R1.8 c1ccc(cc1)C=NN TS04817 [2,0,0,0,0,0|1,0,1]=4 418 B9R1.8 c1ccc(cc1)CC#N TS04678 [2,0,0,0,0,0|0,0,2]=4 419 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|1,0,0]=3 420 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|1,0,0]=3 421 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|1,0,0]=3 422 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|0,0,0]=2 423 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|0,0,0]=2 424 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.8 c1ccc(cc1)CNN TS09177 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.8 c1ccc(cc1)CNN TS21284 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.8 c1ccc(cc1)CNO TS01934 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.8 c1ccc(cc1)CNO TS93618 [2,0,0,0,0,0|1,0,0]=3 431 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.8 c1ccc(cc1)SCCl TS42004 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [2,0,0,0,0,0|1,1,0]=4 435 B9R1.8 c1ccnc(c1)CCCl TS37532 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 c1ccnc(c1)CCN TS04914 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.8 c1ccnc(c1)CCN TS17997 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.8 c1ccnc(c1)CCO TS04967 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 c1ccnc(c1)CNN TS87756 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.8 c1cnc(cn1)CCN TS32564 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 c1cnccc1CCN TS09522 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 c1cnccc1CCO TS70737 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.8 c1cnccc1CCS TS06395 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.8 c1cnccc1CCS TS46022 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.8 c1cnccc1CNN TS85585 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.8 c1cncnc1CCN TS86707 [2,0,0,0,0,0|2,0,0]=4 447 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.1 CCCCc1ccc(cc1)I TS29429 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.1 CCCCc1ccc(cc1)N TS07605 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.1 CCCCc1ccc(cc1)O TS40895 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.1 CCCCc1ccc(cc1)S TS43140 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.1 CCCCc1ccc(nc1)C TS40771 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.1 CCCOc1ccc(cc1)N TS10071 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.1 CCNCc1ccc(cc1)F TS10337 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [1,1,0,0,0,0|0,0,0]=2 464 B11R1.1 CNCCc1ccc(cc1)F TS10330 [1,1,0,0,0,0|0,0,0]=2 465 B11R1.1 CNCCc1ccc(cc1)N TS09940 [1,1,0,0,0,0|0,0,0]=2 466 B11R1.1 CNCCc1ccc(cc1)O TS94477 [1,1,0,0,0,0|0,0,0]=2 467 B11R1.1 COCCc1ccc(cc1)O TS10182 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|0,0,0]=2 472 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [1,1,0,0,0,0|0,0,2]=4 473 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [1,1,0,0,0,0|0,0,2]=4 474 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.1 c1cc(ccc1CCCN)O TS10075 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.1 c1cc(ccc1CCCO)O TS02185 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.16 C#CCC(c1ccccc1)O TS07216 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.16 C=CCC(c1ccccc1)O TS07476 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.16 CC(CCO)c1ccccc1 TS40913 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.16 CC(CNC)c1ccccc1 TS15544 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.16 CC=CC(c1ccccc1)O TS07464 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.16 CCCC(C)c1ccccc1 TS40687 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.16 CCCC(c1ccccc1)N TS08991 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.16 CCCC(c1ccccc1)O TS40897 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [1,1,0,0,0,0|0,0,1]=3 498 B11R1.16 CNCC(c1ccccc1)O TS41049 [1,1,0,0,0,0|0,0,0]=2 499 B11R1.16 COCC(=O)c1ccccc1 TS09863 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.17 C=CCCc1ccccc1Br TS43954 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.17 CCCCc1ccccc1N TS07609 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.17 CNCCc1ccccc1F TS10332 [1,1,0,0,0,0|0,0,0]=2 518 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [1,1,0,0,0,0|0,0,2]=4 519 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.24 CCNCc1cccc(c1)Br TS21623 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.24 CCNCc1cccc(c1)F TS10327 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [1,1,0,0,0,0|0,0,0]=2 528 B11R1.24 CNCCc1cccc(c1)F TS10334 [1,1,0,0,0,0|0,0,0]=2 529 B11R1.24 Cc1cccc(c1)CCNC TS07599 [1,1,0,0,0,0|0,0,0]=2 530 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [1,1,0,0,0,0|0,0,2]=4 531 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.28 C#CCCCc1ccccc1 TS07011 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.28 C#CCOCc1ccccc1 TS07224 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.28 C=CCOCc1ccccc1 TS07459 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.28 CC=CCCc1ccncc1 TS07375 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.28 CCCC#Cc1ccccc1 TS07004 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.28 CCCC=Cc1ccccc1 TS07261 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.28 CCCCCc1ccccc1 TS07508 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.28 CCCCCc1ccccn1 TS07608 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.28 CCCCNc1ccccc1 TS07616 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.28 CCCCOc1ccccc1 TS40903 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.28 CCCCOc1ccccn1 TS41040 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.28 CCCNCc1ccccc1 TS40768 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.28 CCOCCc1ccccn1 TS41030 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.28 CNCCCc1ccccc1 TS07594 [1,1,0,0,0,0|0,0,0]=2 547 B11R1.28 CNCCOc1ccccc1 TS50641 [1,1,0,0,0,0|0,0,0]=2 548 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [1,1,0,0,0,0|0,0,2]=4 549 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.28 c1ccc(cc1)CCCCN TS40769 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.28 c1ccc(cc1)CCCCO TS09769 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [1,1,0,0,0,0|0,0,2]=4 553 B11R1.28 c1ccc(cc1)CCN=C=S TS11737 [1,1,0,0,0,0|0,0,2]=4 554 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.28 c1ccc(cc1)CNCCN TS09934 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.28 c1ccc(cc1)COCC=O TS40846 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.28 c1ccc(cc1)COCCBr TS01375 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.28 c1ccc(cc1)COCCCl TS45252 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.28 c1ccc(cc1)COCCN TS50637 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.28 c1ccc(cc1)COCCO TS59944 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.28 c1ccc(cc1)COCON TS41272 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.28 c1ccc(cc1)CSCCN TS19660 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.28 c1ccc(cc1)CSCCO TS44906 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.28 c1ccc(cc1)NCCC#N TS40450 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.28 c1ccc(cc1)NCCCN TS09931 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.28 c1ccc(cc1)OCCC#N TS40518 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.28 c1ccc(cc1)OCCCO TS41131 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.28 c1ccc(cc1)OCCO[NH3+] TS16257 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.28 c1ccc(cc1)SCCCN TS19659 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.28 c1cnccc1CCCCCl TS38931 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.91 CC(C)NCc1ccccc1 TS33065 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.91 CC(COc1ccccc1)Cl TS45253 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.91 CC(COc1ccccc1)N TS41032 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,1,0,0,0,0|0,0,0]=2 592 B11R1.91 CN(C)CCc1ccccn1 TS09949 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.91 CN(C)CCc1ccncc1 TS09942 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,1,0,0,0,0|1,0,1]=4 604 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,1,0,0,0,0|1,0,1]=4 606 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [1,1,0,0,0,0|0,0,0]=2 607 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [1,1,0,0,0,0|0,0,0]=2 608 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [1,1,0,0,0,0|0,0,0]=2 615 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [1,1,0,0,0,0|0,0,0]=2 616 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [1,1,0,0,0,0|0,0,0]=2 617 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [1,1,0,0,0,0|1,0,1]=4 621 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,1,0,0,0,0|1,0,1]=4 624 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [1,1,0,0,0,0|0,0,2]=4 626 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [1,1,0,0,0,0|0,0,1]=3 631 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [1,1,0,0,0,0|0,0,0]=2 634 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [1,1,0,0,0,0|0,0,0]=2 635 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [1,1,0,0,0,0|0,0,0]=2 636 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [1,1,0,0,0,0|0,0,0]=2 637 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [1,1,0,0,0,0|0,0,0]=2 641 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [1,1,0,0,0,0|0,0,0]=2 642 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.86 CC(C)Cc1ccccc1O TS40918 [1,1,0,0,0,0|0,0,0]=2 651 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.86 CC(C)Oc1ccccc1O TS10184 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.86 CN(C)Cc1c(cccn1)O TS10196 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.86 CN(C)Cc1ccccc1N TS09933 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.86 Cc1c(nccn1)CC(C)C TS09939 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [1,1,0,0,0,0|1,0,1]=4 660 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.509 CC(C)(C)Cc1ccccc1 TS40684 [1,1,0,0,0,0|0,0,0]=2 675 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.509 CC(C)(C)Pc1ccccc1 TS43094 [1,1,0,0,0,0|1,0,0]=3 677 B11R1.509 CC(C)(C)Pc1ccccc1 TS47823 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [1,1,0,0,0,0|0,0,0]=2 679 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS15548 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS24835 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS35770 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS50591 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55765 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55766 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS81650 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.509 C[Si](C)(C)Cc1ccccc1 TS42820 [1,1,0,0,0,0|0,1,0]=3 688 B11R1.509 C[Si](C)(C)Cc1ccncc1 TS12097 [1,1,0,0,0,0|1,1,0]=4 689 B11R1.509 C[Si](C)(C)Nc1ccccc1 TS12096 [1,1,0,0,0,0|1,1,0]=4 690 B11R1.509 C[Si](C)(C)Oc1ccccc1 TS43142 [1,1,0,0,0,0|1,1,0]=4 691 B11R1.509 C[Si](C)(C)Sc1ccccc1 TS15048 [1,1,0,0,0,0|1,1,0]=4 692 B11R1.509 C[Si](C)(C)[Se]c1ccccc1 TS24720 [1,1,0,0,0,0|1,1,0]=4 693 B11R1.509 C[Si](C)(Cc1ccccc1)Cl TS15404 [1,1,0,0,0,0|0,1,0]=3 694 B11R1.509 c1ccc(cc1)CS(=O)(=O)N TS59634 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.7 CC(C#C)(c1ccccc1)O TS07226 [0,1,0,0,1,0|1,0,1]=4 696 B11R1.7 CC(C)(C#N)c1ccccc1 TS07124 [0,1,0,0,1,0|2,0,0]=4 697 B11R1.7 CC(C)(CCl)c1ccccc1 TS12631 [0,1,0,0,1,0|2,0,0]=4 698 B11R1.7 CC(CN)(c1ccccc1)O TS10067 [0,1,0,0,1,0|2,0,0]=4 699 B11R1.7 CC(CO)(c1ccccc1)O TS10181 [0,1,0,0,1,0|2,0,0]=4 700 B11R1.7 CCC(C)(C)c1ccccc1 TS07501 [0,1,0,0,1,0|1,0,0]=3 701 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,1,0,0,1,0|1,0,0]=3 702 B11R1.7 CNS(=O)(=O)c1ccccc1 TS45325 [0,1,0,0,1,0|2,0,0]=4 703 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,1,0,0,1,0|2,0,0]=4 704 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,1,0,0,1,0|1,0,1]=4 705 B11R1.12 CCC(C#N)c1ccccc1 TS07127 [0,1,0,0,1,0|1,0,1]=4 706 B11R1.12 CCC(C=C)c1ccccc1 TS40461 [0,1,0,0,1,0|1,0,1]=4 707 B11R1.12 CCC(CC)c1ccccc1 TS07502 [0,1,0,0,1,0|1,0,0]=3 708 B11R1.12 CCC(CC)c1ccccn1 TS40770 [0,1,0,0,1,0|2,0,0]=4 709 B11R1.12 CCC(CC)c1ccncc1 TS07595 [0,1,0,0,1,0|2,0,0]=4 710 B11R1.12 CCN(CC)c1ccccc1 TS07596 [0,1,0,0,1,0|2,0,0]=4 711 B11R1.12 CCN(CC)c1ccccc1 TS11655 [0,1,0,0,1,0|2,0,0]=4 712 B11R1.12 CCN(CC)c1ccccc1 TS15545 [0,1,0,0,1,0|2,0,0]=4 713 B11R1.12 CCP(CC)c1ccccc1 TS43095 [0,1,0,0,1,0|2,0,0]=4 714 B11R1.12 COC(c1ccccc1)OC TS33210 [0,1,0,0,1,0|1,0,0]=3 715 B11R1.12 COP(c1ccccc1)OC TS45093 [0,1,0,0,1,0|2,0,0]=4 716 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,1,0,0,1,0|1,0,0]=3 717 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,1,0,0,1,0|1,0,0]=3 718 B11R1.12 c1ccc(cc1)C(CO)CO TS39683 [0,1,0,0,1,0|2,0,0]=4 719 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,1,0,0,1,0|0,0,2]=4 720 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,0,0,1,0|1,0,0]=3 721 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,0,0,1,0|1,0,0]=3 722 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,1,0|1,0,1]=4 723 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,1,0,0,1,0|0,0,0]=2 724 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,1,0,0,1,0|0,0,0]=2 725 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,1,0|1,0,1]=4 726 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,1,0|2,0,0]=4 727 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [0,1,0,0,1,0|2,0,0]=4 728 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,1,0|1,0,1]=4 729 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,0,0,1,0|1,0,0]=3 730 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,1,0|1,0,0]=3 731 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,1,0|1,0,1]=4 732 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,1,0|1,0,1]=4 733 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,1,0|1,0,1]=4 734 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,1,0|1,0,1]=4 735 B13R1.11 CCC(C)OC(=O)c1ccccc1 TS14249 [0,1,0,0,0,1|1,0,1]=4 736 B13R1.14 CC[C@H](C)COc1ccc(cc1)N TS14451 [0,1,0,0,0,1|1,0,0]=3 737 B13R1.42 CNCC(=O)OCc1ccccc1 TS21940 [0,1,0,0,0,1|1,0,1]=4 738 B13R1.42 CNCC(=O)OCc1ccccc1 TS79080 [0,1,0,0,0,1|1,0,1]=4 739 B13R1.42 CNCC(COc1ccccc1)O TS48105 [0,1,0,0,0,1|1,0,0]=3 740 B13R1.42 COCC(CNc1ccccc1)O TS14814 [0,1,0,0,0,1|2,0,0]=4 741 B13R1.254 CCC(C)(C#Cc1ccccc1)O TS45815 [0,1,0,0,0,1|1,0,1]=4 742 B13R1.254 CCC(C)(CCc1ccccc1)O TS14279 [0,1,0,0,0,1|1,0,0]=3 743 B13R1.351 CN(C)C(=S)SCc1ccccc1 TS21180 [0,1,0,0,0,1|1,0,1]=4 744 B13R1.417 C=C[C@@H](CI)OCc1ccccc1 TS35115 [0,1,0,0,0,1|1,0,1]=4 745 B13R1.417 CC[C@@H](CO)NCc1ccccc1 TS47775 [0,1,0,0,0,1|1,0,0]=3 746 B13R1.417 CC[C@H](CO)NCc1ccccc1 TS14461 [0,1,0,0,0,1|1,0,0]=3 747 B13R1.417 CNC(=NCc1ccccc1)NC TS14079 [0,1,0,0,0,1|0,0,1]=3 748 B13R1.417 COC(COc1ccccc1)OC TS48264 [0,1,0,0,0,1|1,0,0]=3 749 B13R1.417 c1ccc(cc1)CO[C@@H](CO)C=O TS14595 [0,1,0,0,0,1|2,0,0]=4 750 B13R1.19 CCOC(C)Oc1ccc(cc1)Br TS62116 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.20 CN(CCN)Cc1cccc(c1)Cl TS18742 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.44 CNCCN(C)Cc1ccccc1 TS47616 [0,2,0,0,0,0|1,0,0]=3 753 B13R1.44 c1ccc(cc1)CC(=O)NCCO TS14396 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.47 CCNC(C)C(=O)c1ccccc1 TS21580 [0,2,0,0,0,0|0,0,1]=3 755 B13R1.47 COC[C@@H]([C@H](c1ccccc1)O)N TS48117 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.348 CC(C)CC(Cc1ccccc1)O TS14271 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [0,2,0,0,0,0|1,0,0]=3 758 B13R1.1327 CCO[Si](C)(C)Cc1ccccc1 TS51920 [0,2,0,0,0,0|1,1,0]=4 759 B13R1.1327 C[N+](C)(CCO)Cc1ccccc1 TS21949 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.22 C[C@@H]([C@@H](c1cccc(c1)O)O)NC TS22295 [0,2,0,0,0,0|0,0,0]=2 761 B13R1.152 CC(=O)C(C(c1ccccc1)Br)Br TS60548 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.152 CC(C(=O)c1ccccc1)N(C)C TS44415 [0,2,0,0,0,0|0,0,1]=3 763 B13R1.152 C[C@@H]([C@H](c1ccccc1)O)N(C)C TS14453 [0,2,0,0,0,0|0,0,0]=2 764 B13R1.152 C[C@H]([C@H](c1ccccc1)O)N(C)C TS14449 [0,2,0,0,0,0|0,0,0]=2 765 B13R1.263 CC(C)(C(=O)c1ccccc1)NO TS44745 [0,2,0,0,0,0|1,0,1]=4 766 B13R1.133 CC(Cc1ccc(cc1)F)N(=O)=O TS48421 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS01607 [0,2,0,0,0,0|0,0,1]=3 768 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS21931 [0,2,0,0,0,0|0,0,1]=3 769 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N TS47742 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)O TS47921 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N TS47730 [0,2,0,0,0,0|2,0,0]=4 772 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)O TS14587 [0,2,0,0,0,0|2,0,0]=4 773 B13R1.5 CC(Cc1ccc(cc1)OC)C=O TS14230 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.145 COC(Cc1ccc(cc1)O)OC TS14981 [0,2,0,0,0,0|1,0,0]=3 775 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)N TS19042 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.2879 CCC(Cc1ccc(c(c1)O)C)N TS21947 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.250 Cc1cccc(c1)CC(C)(C)CO TS14275 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.3080 COP(=O)(Cc1ccccc1)OC TS18968 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.275 CC[N+](C)(C)Cc1ccccc1Br TS59393 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.91 CC(Cc1ccccc1OC)NC TS21951 [0,2,0,0,0,0|0,0,0]=2 781 B11R2.1 CC1CNc2c1cccc2 TS05845 [1,0,0,1,0,0|2,0,0]=4 782 B11R2.1 CN1CCc2c1cccc2 TS36778 [1,0,0,1,0,0|0,0,0]=2 783 B11R2.1 Cn1c2ccccc2cn1 TS36679 [1,0,0,1,0,0|1,0,1]=4 784 B11R2.1 Cn1c2ccccc2nn1 TS01810 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.1 Cn1ccc2c1cccc2 TS00492 [1,0,0,1,0,0|0,0,2]=4 786 B11R2.1 Cn1cnc2c1cccc2 TS36688 [1,0,0,1,0,0|1,0,1]=4 787 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,1,0,0|2,0,0]=4 788 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [1,0,0,1,0,0|2,0,0]=4 789 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [1,0,0,1,0,0|2,0,0]=4 790 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [1,0,0,1,0,0|2,0,0]=4 791 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,1,0,0|2,0,0]=4 792 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [1,0,0,1,0,0|2,0,0]=4 793 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,1,0,0|2,0,0]=4 794 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [1,0,0,1,0,0|2,0,0]=4 795 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [1,0,0,1,0,0|2,0,0]=4 796 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,1,0,0|2,0,0]=4 797 B11R2.4 CC1CC1c2ccccc2 TS36705 [1,0,0,1,0,0|1,0,0]=3 798 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [1,0,0,1,0,0|2,0,0]=4 799 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [1,0,0,1,0,0|2,0,0]=4 800 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [1,0,0,1,0,0|2,0,0]=4 801 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [1,0,0,1,0,0|2,0,0]=4 802 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [1,0,0,1,0,0|2,0,0]=4 803 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [1,0,0,1,0,0|2,0,0]=4 804 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [1,0,0,1,0,0|2,0,0]=4 805 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [1,0,0,1,0,0|2,0,0]=4 806 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [1,0,0,1,0,0|1,0,0]=3 807 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [1,0,0,1,0,0|1,0,0]=3 808 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [1,0,0,1,0,0|1,0,0]=3 809 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [1,0,0,1,0,0|1,0,0]=3 810 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,1,0,0|1,0,1]=4 811 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,1,0,0|1,0,1]=4 812 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [1,0,0,1,0,0|1,0,0]=3 813 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [1,0,0,1,0,0|1,0,0]=3 814 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [1,0,0,1,0,0|2,0,0]=4 815 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,1,0,0|0,0,2]=4 816 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [1,0,0,1,0,0|1,0,0]=3 817 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [1,0,0,1,0,0|1,0,0]=3 818 B11R2.20 c1cncc2c1CCCC2 TS16964 [1,0,0,1,0,0|2,0,0]=4 819 B11R2.20 c1cncc2c1CCNC2 TS05913 [1,0,0,1,0,0|1,0,0]=3 820 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [1,0,0,1,0,0|1,0,0]=3 821 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [1,0,0,1,0,0|0,0,0]=2 822 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [1,0,0,1,0,0|0,0,0]=2 823 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [1,0,0,1,0,0|0,0,0]=2 824 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [1,0,0,1,0,0|2,0,0]=4 825 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [1,0,0,1,0,0|2,0,0]=4 826 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [1,0,0,1,0,0|2,0,0]=4 827 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [1,0,0,1,0,0|0,0,2]=4 828 B11R2.10 CC1CC2C=CC=CC2C1 TS81693 [1,0,0,1,0,0|0,0,2]=4 829 B11R2.10 CC1Cc2ccccc2N1 TS05844 [1,0,0,1,0,0|0,0,0]=2 830 B11R2.10 CC1Cc2ccccc2O1 TS36849 [1,0,0,1,0,0|1,0,0]=3 831 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [1,0,0,1,0,0|1,0,1]=4 832 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [1,0,0,1,0,0|0,0,2]=4 833 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [1,0,0,1,0,0|1,0,1]=4 834 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [1,0,0,1,0,0|1,0,1]=4 835 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [1,0,0,1,0,0|1,0,0]=3 836 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [1,0,0,1,0,0|1,0,0]=3 837 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,0,0,1,1,0|1,0,0]=3 838 B13R2.10 CC1COC(O1)c2ccccc2 TS42733 [0,0,0,1,0,1|2,0,0]=4 839 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [0,0,0,1,0,1|1,0,1]=4 840 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [0,0,0,1,0,1|1,0,1]=4 841 B13R2.32 CC1CCc2ccccc2C1=O TS42187 [0,0,0,1,0,1|2,0,0]=4 842 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [0,0,0,1,0,1|1,0,1]=4 843 B13R2.33 c1ccc2c(c1)CNC(=O)CN2 TS11566 [0,0,0,1,0,1|1,0,1]=4 844 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [0,0,0,1,0,1|1,0,0]=3 845 B13R2.57 CNC1Cc2ccccc2OC1 TS11717 [0,0,0,1,0,1|0,0,0]=2 846 B13R2.57 c1ccc2c(c1)CC(CO2)CI TS33563 [0,0,0,1,0,1|2,0,0]=4 847 B13R2.57 c1ccc2c(c1)CC(CO2)CN TS18910 [0,0,0,1,0,1|2,0,0]=4 848 B13R2.57 c1ccc2c(c1)CC(CO2)CO TS11871 [0,0,0,1,0,1|2,0,0]=4 849 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS11604 [0,0,0,1,0,1|2,0,0]=4 850 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS25706 [0,0,0,1,0,1|2,0,0]=4 851 B13R2.57 c1ccc2c(c1)CCC(C2)CN TS42347 [0,0,0,1,0,1|2,0,0]=4 852 B13R2.57 c1ccc2c(c1)C[C@H](NC2)CN TS42497 [0,0,0,1,0,1|2,0,0]=4 853 B13R2.98 C[C@@]1([C@@H](O1)c2ccccc2)CO TS11879 [0,0,0,1,0,1|2,0,0]=4 854 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O TS46536 [0,1,0,1,0,0|1,0,0]=3 855 B13R2.25 c1ccc(cc1)[C@@H]2C[C@H]2N=C=O TS11141 [0,1,0,1,0,0|0,0,2]=4 856 B13R2.31 c1ccc(cc1)CN2CC(C2)O TS46863 [0,1,0,1,0,0|2,0,0]=4 857 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS11292 [0,1,0,1,0,0|0,0,1]=3 858 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS53778 [0,1,0,1,0,0|0,0,1]=3 859 B13R2.64 c1ccc(cc1)CC2CCCN2 TS42354 [0,1,0,1,0,0|0,0,0]=2 860 B13R2.64 c1ccc(cc1)CC2OCCO2 TS11891 [0,1,0,1,0,0|1,0,0]=3 861 B13R2.64 c1ccc(cc1)CN2CCCC2 TS42349 [0,1,0,1,0,0|2,0,0]=4 862 B13R2.64 c1ccc(cc1)CN2CCOC2 TS11731 [0,1,0,1,0,0|2,0,0]=4 863 B13R2.135 CCn1c(cc2c1cccc2)C TS42085 [0,1,0,1,0,0|0,0,2]=4 864 B13R2.135 CCn1c(nc2c1cccc2)C TS11284 [0,1,0,1,0,0|1,0,1]=4 865 B13R2.135 COC1c2ccccc2CC1O TS11884 [0,1,0,1,0,0|2,0,0]=4 866 B13R2.45 CCC1Cc2ccccc2C1=O TS42184 [0,1,0,1,0,0|1,0,1]=4 867 B13R2.45 Cn1c2ccccc2cc1CO TS11404 [0,1,0,1,0,0|0,0,2]=4 868 B13R2.45 Cn1c2ccccc2nc1CN TS11420 [0,1,0,1,0,0|1,0,1]=4 869 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Cl TS48004 [0,1,0,1,0,0|2,0,0]=4 870 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [0,1,0,1,0,0|2,0,0]=4 871 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O TS42457 [0,1,0,1,0,0|2,0,0]=4 872 B13R2.3028 CC1Cc2ccc(cc2C1=O)F TS01228 [0,1,0,1,0,0|2,0,0]=4 873 B13R2.3028 CN1c2cc(ccc2CC1=O)N TS89755 [0,1,0,1,0,0|1,0,1]=4 874 B13R2.3683 CC1CCc2cc(ccc2N1)F TS42909 [0,1,0,1,0,0|2,0,0]=4 875 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,1,0,1,0,0|1,0,0]=3 876 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N TS24124 [0,1,0,1,0,0|2,0,0]=4 877 B13R2.3683 c1cc2c(cc1Br)CC[C@@H](C2)N TS24120 [0,1,0,1,0,0|2,0,0]=4 878 B13R2.3683 c1cc2c(cc1Br)CC[C@H](C2)N TS24122 [0,1,0,1,0,0|2,0,0]=4 879 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS22338 [0,1,0,1,0,0|2,0,0]=4 880 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS48169 [0,1,0,1,0,0|2,0,0]=4 881 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS12048 [0,1,0,1,0,0|2,0,0]=4 882 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS38172 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.3683 c1cc2c(cc1F)CCC(C2)O TS43083 [0,1,0,1,0,0|2,0,0]=4 884 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N TS38176 [0,1,0,1,0,0|2,0,0]=4 885 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 TS01294 [0,1,0,1,0,0|1,0,1]=4 886 B13R2.155 CN1CCc2ccc(cc2C1)N TS87808 [0,1,0,1,0,0|2,0,0]=4 887 B13R2.155 Cc1ccc2c(c1)CC(CC2)C TS42213 [0,1,0,1,0,0|1,0,0]=3 888 B13R2.155 c1cc2c(cc1Br)CC(CC2)N TS24125 [0,1,0,1,0,0|2,0,0]=4 889 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N TS48168 [0,1,0,1,0,0|2,0,0]=4 890 B13R2.155 c1cc2c(cc1F)CC(CC2)N TS12051 [0,1,0,1,0,0|2,0,0]=4 891 B13R2.155 c1cc2c(cc1N)CC(CC2)N TS42504 [0,1,0,1,0,0|2,0,0]=4 892 B13R2.155 c1cc2c(cc1O)CC(CC2)N TS11729 [0,1,0,1,0,0|2,0,0]=4 893 B13R2.5179 c1cc2c(c(c1)F)CCC(C2)N TS38175 [0,1,0,1,0,0|2,0,0]=4 894 B13R2.5190 CC1Cc2cc(ccc2C1=O)F TS42714 [0,1,0,1,0,0|2,0,0]=4 895 B13R2.5190 CN1c2ccc(cc2CC1=O)Br TS71398 [0,1,0,1,0,0|1,0,1]=4 896 B13R2.5190 CN1c2ccc(cc2CC1=O)N TS86168 [0,1,0,1,0,0|1,0,1]=4 897 B13R2.5190 Cc1nc2cc(ccc2n1C)Cl TS48015 [0,1,0,1,0,0|1,0,1]=4 898 B13R2.222 CC1(CCc2ccccc2N1)C TS94352 [0,1,0,1,0,0|2,0,0]=4 899 B13R2.162 CC1CCc2cccc(c2N1)O TS18915 [0,1,0,1,0,0|2,0,0]=4 900 B13R2.162 c1cc2c(c(c1)Br)C[C@@H](CC2)N TS08919 [0,1,0,1,0,0|2,0,0]=4 901 B13R2.162 c1cc2c(c(c1)Cl)CC(CC2)N TS22340 [0,1,0,1,0,0|2,0,0]=4 902 B13R2.4825 CN1c2cccc(c2CC1=O)Br TS87779 [0,1,0,1,0,0|1,0,1]=4 903 B13R3.28 c1ccc2c(c1)CCC3C2O3 TS07234 [0,0,0,2,0,0|2,0,0]=4 904 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,1,0|2,0,0]=4 905 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,1,0|2,0,0]=4 906 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,1,0|2,0,0]=4 907 B9R1.12 CNCCc1c[nH]cn1 TS53960 [1,0,0,0,1,0|2,0,0]=4 908 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,1,0|1,0,0]=3 909 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,1,0|0,0,2]=4 910 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,1,0|1,0,1]=4 911 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,1,0|1,0,1]=4 912 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,1,0|1,0,1]=4 913 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,1,0|1,0,1]=4 914 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,1,0|1,0,0]=3 915 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,1,0|1,0,0]=3 916 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,1,0|1,0,0]=3 917 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,0,0,1,0|2,0,0]=4 918 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,1,0|1,0,0]=3 919 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,1,0|0,0,0]=2 920 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,1,0|1,0,0]=3 921 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,1,0|1,0,0]=3 922 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,1,0|1,0,0]=3 923 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,1,0|2,0,0]=4 924 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,1,0|1,0,0]=3 925 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,1,0|1,0,0]=3 926 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,1,0|1,0,0]=3 927 B9R1.6 CC(c1ccncn1)N TS91641 [1,0,0,0,1,0|2,0,0]=4 928 B9R1.6 CC(c1ccnnc1)N TS88664 [1,0,0,0,1,0|2,0,0]=4 929 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,0,0,1,0|2,0,0]=4 930 B9R1.6 CC(c1cncnc1)N TS88597 [1,0,0,0,1,0|2,0,0]=4 931 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,0,0,0,1,0|2,0,0]=4 932 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,1,0|1,0,0]=3 933 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,1,0|2,0,0]=4 934 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,1,0|2,0,0]=4 935 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,1,0|2,0,0]=4 936 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,1,0|2,0,0]=4 937 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,1,0|2,0,0]=4 938 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,1,0|1,0,0]=3 939 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,1,0|1,0,0]=3 940 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,1,0|1,0,0]=3 941 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,1,0|0,0,0]=2 942 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,1,0|1,0,0]=3 943 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,1,0|2,0,0]=4 944 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,1,0|2,0,0]=4 945 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,1,0|2,0,0]=4 946 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,0,0,0,1,0|2,0,0]=4 947 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,1,0|0,0,0]=2 948 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,1,0|0,0,0]=2 949 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,1,0|1,0,0]=3 950 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,1,0|2,0,0]=4 951 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,1,0|2,0,0]=4 952 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,1,0|2,0,0]=4 953 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,0,0,0,1,0|2,0,0]=4 954 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,1,0|0,1,0]=3 955 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,1,0|1,0,1]=4 956 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,1,0|1,0,1]=4 957 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,1,0|1,0,1]=4 958 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,1,0|1,0,1]=4 959 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,1,0|1,0,1]=4 960 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,1,0|2,0,0]=4 961 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,1,0|2,0,0]=4 962 B9R1.13 CC(C)Cc1nccs1 TS06620 [1,0,0,0,1,0|2,0,0]=4 963 B9R1.13 CC(Cc1cccs1)O TS37625 [1,0,0,0,1,0|2,0,0]=4 964 B9R1.13 CN(C)C=C1C=CC=C1 TS04871 [1,0,0,0,1,0|1,0,1]=4 965 B9R1.13 CN(C)Cc1cccs1 TS06616 [1,0,0,0,1,0|2,0,0]=4 966 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [1,0,0,0,1,0|2,0,0]=4 967 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [1,0,0,0,1,0|2,0,0]=4 968 B9R1.11 CC(c1ccco1)NO TS36224 [0,0,0,0,2,0|2,0,0]=4 969 B13R1.718 CC(CO)COCc1ccccc1 TS47950 [0,0,0,0,0,2|2,0,0]=4 970 B13R1.718 CC[C@H](COCc1ccccc1)N TS14450 [0,0,0,0,0,2|2,0,0]=4 971 B13R1.718 CC[C@H](COCc1ccccc1)O TS14645 [0,0,0,0,0,2|2,0,0]=4