0 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 BrC(=Cc1ccccc1)Br 1P003C10 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 CC(=O)Nc1ccncc1 1P00DD6H [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 CC(=O)Nc1ccncn1 1P00AT0I [0,0,0,0,0,0|4,0,0]=4 16 B10R1.18 CC(=O)Nc1ncccn1 1P000V1A [0,0,0,0,0,0|4,0,0]=4 17 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,0,0,0,0|2,1,0]=3 21 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,0,0,0,0,0|2,0,1]=3 22 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,0,0,0,0,0|2,0,1]=3 23 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,0,0,0,0|1,0,1]=2 24 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,0,0,0,0,0|3,0,1]=4 25 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,0,0,0,0,0|2,0,1]=3 27 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,0,0,0,0,0|3,0,1]=4 28 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,0,0,0,0,0|2,0,1]=3 30 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,0,0,0,0,0|3,0,1]=4 31 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,0,0,0,0,0|2,0,1]=3 33 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,0,0,0,0,0|3,0,1]=4 34 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [0,0,0,0,0,0|3,0,1]=4 35 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,0,0,0,0,0|3,0,1]=4 36 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [0,0,0,0,0,0|3,0,1]=4 37 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,0,0,0,0,0|3,0,0]=3 38 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,0,0,0,0|2,0,0]=2 39 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [0,0,0,0,0,0|4,0,0]=4 40 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [0,0,0,0,0,0|4,0,0]=4 41 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [0,0,0,0,0,0|4,0,0]=4 42 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,0,0,0,0,0|3,0,0]=3 43 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,0,0,0,0|1,0,1]=2 44 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,0,0,0,0|1,0,1]=2 45 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,0,0,0,0,0|2,1,0]=3 46 B10R1.18 ClC(=Cc1ccccc1)Cl 1P00FH9O [0,0,0,0,0,0|2,0,1]=3 47 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,0,0,0,0|1,0,0]=1 48 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,0,0|2,0,0]=2 49 B10R1.18 ClC(=O)Nc1ccncc1 1P01A60B [0,0,0,0,0,0|3,0,0]=3 50 B10R1.18 ClC(=S)Oc1ccccc1 1P0002M7 [0,0,0,0,0,0|2,1,0]=3 51 B10R1.18 ClC(=S)Sc1ccccc1 1P001YYN [0,0,0,0,0,0|2,1,0]=3 52 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [0,0,0,0,0,0|2,1,1]=4 53 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [0,0,0,0,0,0|3,0,1]=4 54 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [0,0,0,0,0,0|3,0,1]=4 55 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,0,0|2,0,0]=2 56 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,0,0,0,0,0|3,0,0]=3 57 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,0,0,0,0,0|3,0,0]=3 59 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,0,0,0,0,0|3,0,0]=3 60 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [0,0,0,0,0,0|3,0,0]=3 61 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [0,0,0,0,0,0|3,0,0]=3 62 B10R1.18 NC(=N)Nc1cccnc1 1P02804D [0,0,0,0,0,0|4,0,0]=4 63 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,0,0,0,0|2,0,0]=2 64 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,0,0|1,0,0]=1 65 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.18 NC(=O)Cc1cncnc1 1P00E15B [0,0,0,0,0,0|3,0,0]=3 69 B10R1.18 NC(=O)Cc1ncccn1 1P00171T [0,0,0,0,0,0|3,0,0]=3 70 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,0,0|2,0,0]=2 71 B10R1.18 NC(=O)Nc1ccccn1 1P000W31 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.18 NC(=O)Nc1cccnc1 1P000W30 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.18 NC(=O)Nc1ccncc1 1P0011DS [0,0,0,0,0,0|3,0,0]=3 74 B10R1.18 NC(=O)Nc1cnccn1 1P00IEKK [0,0,0,0,0,0|4,0,0]=4 75 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,0,0|2,0,0]=2 76 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,0,0|1,1,0]=2 77 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,0,0,0,0,0|2,1,0]=3 78 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,0,0,0,0,0|2,1,0]=3 79 B10R1.18 NC(=S)Nc1ccccn1 1P003BQD [0,0,0,0,0,0|3,1,0]=4 80 B10R1.18 NC(=S)Nc1cccnc1 1P003KD0 [0,0,0,0,0,0|3,1,0]=4 81 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [0,0,0,0,0,0|1,0,1]=2 83 B10R1.18 OC(=O)CC1=CCCCC1 1P0024QW [0,0,0,0,0,0|0,0,4]=4 84 B10R1.18 OC(=O)CC1=CCOCC1 1P01ALTL [0,0,0,0,0,0|1,0,3]=4 85 B10R1.18 OC(=O)CC1CCC=CC1 1P01C82G [0,0,0,0,0,0|0,0,4]=4 86 B10R1.18 OC(=O)CC1CCCC=C1 1P01AG7Q [0,0,0,0,0,0|0,0,4]=4 87 B10R1.18 OC(=O)C[C@H]1CCC=CC1 1P01EMGX [0,0,0,0,0,0|0,0,4]=4 88 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [0,0,0,0,0,0|1,0,0]=1 89 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,0,0,0,0|0,0,0]=0 90 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,0,0,0,0,0|1,0,0]=1 91 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,0,0,0,0,0|1,0,0]=1 92 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,0,0,0,0,0|1,0,0]=1 93 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [0,0,0,0,0,0|1,0,0]=1 94 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [0,0,0,0,0,0|1,0,0]=1 95 B10R1.18 OC(=O)Cc1ccnnc1 1P00HYGS [0,0,0,0,0,0|2,0,0]=2 96 B10R1.18 OC(=O)Cc1cnccn1 1P001DGI [0,0,0,0,0,0|2,0,0]=2 97 B10R1.18 OC(=O)Cc1cncnc1 1P0034RS [0,0,0,0,0,0|2,0,0]=2 98 B10R1.18 OC(=O)Cc1cncnc1 1P01BFQH [0,0,0,0,0,0|2,0,0]=2 99 B10R1.18 OC(=O)Cc1ncccn1 1P0033WG [0,0,0,0,0,0|2,0,0]=2 100 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,0,0|1,0,0]=1 101 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,0,0,0,0|1,0,0]=1 102 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [0,0,0,0,0,0|1,0,1]=2 103 B10R1.18 [O-]C(=O)Cc1cccnn1 1P00IL7P [0,0,0,0,0,0|2,0,1]=3 104 B10R1.18 [O-]C(=O)Cc1cccnn1 1P027YSR [0,0,0,0,0,0|2,0,1]=3 105 B10R1.18 [O-]C(=O)Cc1cnccn1 1P01B83X [0,0,0,0,0,0|2,0,1]=3 106 B10R1.18 [O-]C(=O)Cc1ncccn1 1P00IBME [0,0,0,0,0,0|2,0,1]=3 107 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,0,0,0,0|1,0,1]=2 108 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [0,0,0,0,0,0|2,0,2]=4 109 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,0,0,0,0|1,0,1]=2 110 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,0,0,0,0|1,0,1]=3 112 B9R1.8 BrCCc1ccccn1 1P0033B6 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 BrCCc1cccnc1 1P00CJF9 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 BrCCc1ccncc1 1P01BGQT [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 Br\C=C/c1cccnc1 1P00A7DJ [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [1,0,0,0,0,0|1,0,1]=3 117 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,0,0,0,0|1,0,0]=2 118 B9R1.8 C=CCc1cccnc1 1P005DFA [1,0,0,0,0,0|2,0,0]=3 119 B9R1.8 C=CCc1cncnc1 1P01DW3N [1,0,0,0,0,0|3,0,0]=4 120 B9R1.8 C=COc1ccccc1 1P005W2F [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 C=COc1cccnc1 1P009TFJ [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 C=CSc1ccccc1 1P0023XU [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,0,0,0,0|3,0,0]=4 134 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,0,0,0,0|3,0,0]=4 135 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,0,0,0,0|3,0,0]=4 137 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,0,0,0,0|3,0,0]=4 138 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,0,0,0,0|3,0,0]=4 140 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.8 COCc1ccccn1 1P002O7L [1,0,0,0,0,0|3,0,0]=4 142 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,0,0,0,0|3,0,0]=4 143 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,0,0,0,0|3,0,0]=4 145 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,0,0,0,0|3,0,0]=4 146 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,0,0,0,0|1,0,1]=3 147 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,0,0,0,0|1,0,1]=3 148 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,0,0,0,0|1,0,1]=3 150 B9R1.8 ClCCc1ccccn1 1P00AQES [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 ClCCc1ccccn1 1P00CB7K [1,0,0,0,0,0|2,0,1]=4 152 B9R1.8 ClCCc1cccnc1 1P00CLVG [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 ClCCc1ccncc1 1P00G7HW [1,0,0,0,0,0|2,0,1]=4 154 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,0,0,0,0|2,0,1]=4 155 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,0,0,0,0|1,1,1]=4 156 B9R1.8 IC#Cc1ccccc1 1P006HO6 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,0,0,0,0|1,0,1]=3 158 B9R1.8 ICCc1cccnc1 1P01APKH [1,0,0,0,0,0|2,0,1]=4 159 B9R1.8 N#CC[n+]1ccccc1 1P003SUV [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 N#CC[n+]1ccccc1 1P01EYAJ [1,0,0,0,0,0|2,0,1]=4 161 B9R1.8 N#CCc1ccccn1 1P0033WF [1,0,0,0,0,0|2,0,1]=4 162 B9R1.8 N#CCc1cccnc1 1P003FL3 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.8 N#CCc1ccncc1 1P000W7U [1,0,0,0,0,0|2,0,1]=4 164 B9R1.8 N#CCc1ccncc1 1P003MHC [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 N#CNc1ccccc1 1P00F3HT [1,0,0,0,0,0|2,0,1]=4 166 B9R1.8 N#COc1ccccc1 1P003U5M [1,0,0,0,0,0|2,0,1]=4 167 B9R1.8 N#CSc1ccccc1 1P00E15Y [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,0,0,0,0|1,0,1]=3 169 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,0,0,0,0|1,0,1]=3 170 B9R1.8 NCCc1ccccn1 1P0033BC [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 NCCc1cccnc1 1P0031LS [1,0,0,0,0,0|2,0,1]=4 172 B9R1.8 NCCc1cccnc1 1P007RI3 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.8 NCCc1cccnc1 1P00G4HF [1,0,0,0,0,0|2,0,1]=4 174 B9R1.8 NCCc1ccncc1 1P0011CE [1,0,0,0,0,0|2,0,1]=4 175 B9R1.8 NCCc1ccncc1 1P00EB7D [1,0,0,0,0,0|2,0,1]=4 176 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 NNCc1ccccn1 1P00BJY5 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.8 NNCc1ccccn1 1P00IG9V [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 NNCc1cccnc1 1P0033XM [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 NNCc1cccnc1 1P00EM3P [1,0,0,0,0,0|3,0,0]=4 183 B9R1.8 NNCc1cccnc1 1P00FT0X [1,0,0,0,0,0|3,0,0]=4 184 B9R1.8 NNCc1ccncc1 1P00GVVL [1,0,0,0,0,0|3,0,0]=4 185 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,0,0,0,0|2,0,0]=3 187 B9R1.8 NOCc1ccccn1 1P01C2PM [1,0,0,0,0,0|3,0,0]=4 188 B9R1.8 NOCc1cccnc1 1P00I7X0 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.8 O=C=Nc1ccccn1 1P00DM5D [1,0,0,0,0,0|2,0,1]=4 191 B9R1.8 O=C=Nc1cccnc1 1P003477 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,0,0,0,0|0,0,0]=1 193 B9R1.8 O=CNc1ccccc1 1P003R5D [1,0,0,0,0,0|1,0,0]=2 194 B9R1.8 O=CNc1ccccn1 1P00C130 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.8 O=COc1ccccc1 1P0035XN [1,0,0,0,0,0|1,0,0]=2 196 B9R1.8 O=S=Nc1ccccc1 1P003TUI [1,0,0,0,0,0|2,0,0]=3 197 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,0,0,0,0|0,0,1]=2 198 B9R1.8 OCCc1ccccn1 1P0038HY [1,0,0,0,0,0|1,0,1]=3 199 B9R1.8 OCCc1cccnc1 1P003FB1 [1,0,0,0,0,0|1,0,1]=3 200 B9R1.8 OCCc1ccncc1 1P003FL5 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.8 OCCc1ccncc1 1P00CHZZ [1,0,0,0,0,0|1,0,1]=3 202 B9R1.8 OCCc1ccncn1 1P005N7W [1,0,0,0,0,0|2,0,1]=4 203 B9R1.8 OCCc1cnccn1 1P003F8L [1,0,0,0,0,0|2,0,1]=4 204 B9R1.8 OCCc1cncnc1 1P008CL3 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.8 OCCc1ncccn1 1P000AX7 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.8 ON=Cc1ccccn1 1P000PNF [1,0,0,0,0,0|2,0,1]=4 207 B9R1.8 ON=Cc1cccnc1 1P000J0C [1,0,0,0,0,0|2,0,1]=4 208 B9R1.8 ON=Cc1ccncc1 1P003MH3 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,0,0,0,0|1,0,0]=2 210 B9R1.8 ONCc1ccccc1 1P003920 [1,0,0,0,0,0|1,0,0]=2 211 B9R1.8 O\N=C/c1ccccc1 1P00EASV [1,0,0,0,0,0|1,0,1]=3 212 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.8 O\N=C\c1ccccn1 1P003UJ6 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.8 O\N=C\c1ccncc1 1P00AZF2 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.8 S=C=Nc1ccccc1 1P003RMC [1,0,0,0,0,0|1,1,1]=4 216 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,0,0,0,0|0,1,1]=3 217 B9R1.8 SCCc1ccccn1 1P0029Y7 [1,0,0,0,0,0|1,1,1]=4 218 B9R1.8 SCCc1ccncc1 1P003MH7 [1,0,0,0,0,0|1,1,1]=4 219 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,0,0,0,0|2,0,0]=3 220 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [1,0,0,0,0,0|1,0,1]=3 223 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [1,0,0,0,0,0|1,0,2]=4 224 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [1,0,0,0,0,0|2,0,1]=4 225 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [1,0,0,0,0,0|3,0,0]=4 226 B11R1.20 BrC(=Cc1ccc(cc1)Br)Br 1P01BSTD [0,1,0,0,0,0|2,0,1]=4 227 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [0,1,0,0,0,0|1,0,0]=2 228 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1P003LOO [0,1,0,0,0,0|1,0,0]=2 229 B11R1.20 CC(=O)Cc1ccc(cc1)F 1P003LWP [0,1,0,0,0,0|1,0,0]=2 230 B11R1.20 CC(=O)Cc1ccc(cc1)O 1P003M0E [0,1,0,0,0,0|1,0,0]=2 231 B11R1.20 CC(=O)Cc1ccc(cn1)C 1P005NKC [0,1,0,0,0,0|2,0,0]=3 232 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1P003LFZ [0,1,0,0,0,0|2,0,0]=3 233 B11R1.20 CC(=O)Nc1ccc(cc1)C 1P0034KG [0,1,0,0,0,0|2,0,0]=3 234 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1P003LMW [0,1,0,0,0,0|2,0,0]=3 235 B11R1.20 CC(=O)Nc1ccc(cc1)F 1P003LVG [0,1,0,0,0,0|2,0,0]=3 236 B11R1.20 CC(=O)Nc1ccc(cc1)I 1P003STB [0,1,0,0,0,0|2,0,0]=3 237 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7A [0,1,0,0,0,0|2,0,0]=3 238 B11R1.20 CC(=O)Nc1ccc(cc1)N 1P003L7B [0,1,0,0,0,0|2,0,0]=3 239 B11R1.20 CC(=O)Nc1ccc(cc1)O 1P0034CJ [0,1,0,0,0,0|2,0,0]=3 240 B11R1.20 CC(=O)Nc1ccc(cc1)S 1P003L30 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.20 CC(=O)Nc1ccc(cn1)Br 1P0063XI [0,1,0,0,0,0|3,0,0]=4 242 B11R1.20 CC(=O)Nc1ccc(cn1)C 1P00I9B5 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.20 CC(=O)Nc1ccc(cn1)F 1P00020K [0,1,0,0,0,0|3,0,0]=4 244 B11R1.20 CC(=O)Nc1ccc(cn1)I 1P00FD2P [0,1,0,0,0,0|3,0,0]=4 245 B11R1.20 CC(=O)Nc1ccc(cn1)N 1P003SU6 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.20 CC(=O)Nc1ccc(cn1)O 1P00AO3W [0,1,0,0,0,0|3,0,0]=4 247 B11R1.20 CC(=O)Nc1ccc(nc1)N 1P01A6QX [0,1,0,0,0,0|3,0,0]=4 248 B11R1.20 CC(=O)Nc1ccc(nc1)O 1P007373 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.20 CC(=O)Oc1ccc(cc1)Br 1P007RNE [0,1,0,0,0,0|2,0,0]=3 250 B11R1.20 CC(=O)Oc1ccc(cc1)C 1P001CE9 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.20 CC(=O)Oc1ccc(cc1)Cl 1P004ICL [0,1,0,0,0,0|2,0,0]=3 252 B11R1.20 CC(=O)Oc1ccc(cc1)F 1P0034I6 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.20 CC(=O)Oc1ccc(cc1)I 1P00CN12 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.20 CC(=O)Oc1ccc(cc1)N 1P009BBN [0,1,0,0,0,0|2,0,0]=3 255 B11R1.20 CC(=O)Oc1ccc(cc1)O 1P00C6UC [0,1,0,0,0,0|2,0,0]=3 256 B11R1.20 CC(=O)Oc1ccc(nc1)Br 1P01SUQU [0,1,0,0,0,0|3,0,0]=4 257 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [0,1,0,0,0,0|1,0,1]=3 260 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [0,1,0,0,0,0|2,0,1]=4 262 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [0,1,0,0,0,0|2,0,1]=4 265 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [0,1,0,0,0,0|1,0,1]=3 266 B11R1.20 CN(Cc1ccc(cc1)Br)C 1P00IBJG [0,1,0,0,0,0|3,0,0]=4 267 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.20 ClC(=O)Cc1ccc(cc1)Br 1P00JLAO [0,1,0,0,0,0|1,0,0]=2 269 B11R1.20 ClC(=O)Cc1ccc(cc1)C 1P00C0VI [0,1,0,0,0,0|1,0,0]=2 270 B11R1.20 ClC(=O)Cc1ccc(cc1)Cl 1P0034GI [0,1,0,0,0,0|1,0,0]=2 271 B11R1.20 ClC(=O)Cc1ccc(cc1)F 1P003LWR [0,1,0,0,0,0|1,0,0]=2 272 B11R1.20 ClC(=O)Oc1ccc(cc1)Br 1P003LHL [0,1,0,0,0,0|2,0,0]=3 273 B11R1.20 ClC(=O)Oc1ccc(cc1)Cl 1P003LOH [0,1,0,0,0,0|2,0,0]=3 274 B11R1.20 ClC(=O)Oc1ccc(cc1)F 1P003LWK [0,1,0,0,0,0|2,0,0]=3 275 B11R1.20 ClC(=S)Oc1ccc(cc1)Br 1P008V66 [0,1,0,0,0,0|2,1,0]=4 276 B11R1.20 ClC(=S)Oc1ccc(cc1)Cl 1P003LOI [0,1,0,0,0,0|2,1,0]=4 277 B11R1.20 ClC(=S)Oc1ccc(cc1)F 1P003LWL [0,1,0,0,0,0|2,1,0]=4 278 B11R1.20 Clc1ccc(cc1)N=C(Cl)Cl 1P002V0Y [0,1,0,0,0,0|3,0,0]=4 279 B11R1.20 FC(=Cc1ccc(cc1)Br)F 1P003LGF [0,1,0,0,0,0|2,0,1]=4 280 B11R1.20 FC(=Cc1ccc(cc1)N)F 1P008N6P [0,1,0,0,0,0|2,0,1]=4 281 B11R1.20 FC(Cc1ccc(cc1)Br)F 1P01ELKO [0,1,0,0,0,0|2,0,1]=4 282 B11R1.20 FC(Cc1ccc(cc1)O)F 1P01EN6H [0,1,0,0,0,0|2,0,1]=4 283 B11R1.20 NC(=N)Cc1ccc(cc1)Br 1P00ER80 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 NC(=N)Cc1ccc(cc1)C 1P00JTEG [0,1,0,0,0,0|2,0,0]=3 285 B11R1.20 NC(=N)Nc1ccc(cc1)Br 1P01DI4V [0,1,0,0,0,0|3,0,0]=4 286 B11R1.20 NC(=N)Nc1ccc(cc1)C 1P00DG0U [0,1,0,0,0,0|3,0,0]=4 287 B11R1.20 NC(=Nc1ccc(cc1)Cl)N 1P007L3M [0,1,0,0,0,0|3,0,0]=4 288 B11R1.20 NC(=O)Cc1ccc(cc1)Br 1P0059AH [0,1,0,0,0,0|1,0,0]=2 289 B11R1.20 NC(=O)Cc1ccc(cc1)Cl 1P00BJHH [0,1,0,0,0,0|1,0,0]=2 290 B11R1.20 NC(=O)Cc1ccc(cc1)F 1P01AARD [0,1,0,0,0,0|1,0,0]=2 291 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.20 NC(=O)Cc1ccc(cc1)O 1P003M0D [0,1,0,0,0,0|1,0,0]=2 293 B11R1.20 NC(=O)Cc1ccc(cn1)Br 1P009D92 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.20 NC(=O)Cc1ccc(nc1)Cl 1P00DIGB [0,1,0,0,0,0|2,0,0]=3 295 B11R1.20 NC(=O)Cc1ccc(nn1)Cl 1P02493V [0,1,0,0,0,0|3,0,0]=4 296 B11R1.20 NC(=O)Nc1ccc(cc1)Br 1P003LHR [0,1,0,0,0,0|2,0,0]=3 297 B11R1.20 NC(=O)Nc1ccc(cc1)C 1P003UI8 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.20 NC(=O)Nc1ccc(cc1)Cl 1P001CEA [0,1,0,0,0,0|2,0,0]=3 299 B11R1.20 NC(=O)Nc1ccc(cc1)F 1P003LWX [0,1,0,0,0,0|2,0,0]=3 300 B11R1.20 NC(=O)Nc1ccc(cc1)N 1P007QRZ [0,1,0,0,0,0|2,0,0]=3 301 B11R1.20 NC(=S)Cc1ccc(cc1)Cl 1P0020UH [0,1,0,0,0,0|1,1,0]=3 302 B11R1.20 NC(=S)Cc1ccc(cc1)F 1P00I7F0 [0,1,0,0,0,0|1,1,0]=3 303 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [0,1,0,0,0,0|1,1,0]=3 304 B11R1.20 NC(=S)Nc1ccc(cc1)Br 1P002TRT [0,1,0,0,0,0|2,1,0]=4 305 B11R1.20 NC(=S)Nc1ccc(cc1)C 1P003M96 [0,1,0,0,0,0|2,1,0]=4 306 B11R1.20 NC(=S)Nc1ccc(cc1)Cl 1P003LOV [0,1,0,0,0,0|2,1,0]=4 307 B11R1.20 NC(=S)Nc1ccc(cc1)F 1P0032OI [0,1,0,0,0,0|2,1,0]=4 308 B11R1.20 NC(=S)Nc1ccc(cc1)I 1P002HS9 [0,1,0,0,0,0|2,1,0]=4 309 B11R1.20 NC(=S)Nc1ccc(cc1)O 1P003DGJ [0,1,0,0,0,0|2,1,0]=4 310 B11R1.20 O=C1C=CC(=NC(=O)C)C=C1 1P003T57 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.20 OC(=O)Cc1ccc(=O)[nH]c1 1P01BGNA [0,1,0,0,0,0|1,0,0]=2 312 B11R1.20 OC(=O)Cc1ccc(cc1)Br 1P002GYL [0,1,0,0,0,0|0,0,0]=1 313 B11R1.20 OC(=O)Cc1ccc(cc1)C 1P0037QY [0,1,0,0,0,0|0,0,0]=1 314 B11R1.20 OC(=O)Cc1ccc(cc1)Cl 1P002GYN [0,1,0,0,0,0|0,0,0]=1 315 B11R1.20 OC(=O)Cc1ccc(cc1)F 1P003LWO [0,1,0,0,0,0|0,0,0]=1 316 B11R1.20 OC(=O)Cc1ccc(cc1)I 1P0027Q4 [0,1,0,0,0,0|0,0,0]=1 317 B11R1.20 OC(=O)Cc1ccc(cc1)N 1P000PYE [0,1,0,0,0,0|0,0,0]=1 318 B11R1.20 OC(=O)Cc1ccc(cc1)O 1P001OVW [0,1,0,0,0,0|0,0,0]=1 319 B11R1.20 OC(=O)Cc1ccc(cc1)S 1P003M2M [0,1,0,0,0,0|0,0,0]=1 320 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GMX [0,1,0,0,0,0|1,0,0]=2 321 B11R1.20 OC(=O)Cc1ccc(cn1)Br 1P002GN0 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.20 OC(=O)Cc1ccc(cn1)C 1P000QTE [0,1,0,0,0,0|1,0,0]=2 323 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P00015I [0,1,0,0,0,0|1,0,0]=2 324 B11R1.20 OC(=O)Cc1ccc(cn1)Cl 1P01B9YY [0,1,0,0,0,0|1,0,0]=2 325 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P00015T [0,1,0,0,0,0|1,0,0]=2 326 B11R1.20 OC(=O)Cc1ccc(cn1)F 1P01BH4I [0,1,0,0,0,0|1,0,0]=2 327 B11R1.20 OC(=O)Cc1ccc(cn1)I 1P00HHRJ [0,1,0,0,0,0|1,0,0]=2 328 B11R1.20 OC(=O)Cc1ccc(cn1)O 1P01BG9X [0,1,0,0,0,0|1,0,0]=2 329 B11R1.20 OC(=O)Cc1ccc(nc1)Br 1P01DM6P [0,1,0,0,0,0|1,0,0]=2 330 B11R1.20 OC(=O)Cc1ccc(nc1)C 1P002B7O [0,1,0,0,0,0|1,0,0]=2 331 B11R1.20 OC(=O)Cc1ccc(nc1)Cl 1P00I8AD [0,1,0,0,0,0|1,0,0]=2 332 B11R1.20 OC(=O)Cc1ccc(nc1)F 1P00015S [0,1,0,0,0,0|1,0,0]=2 333 B11R1.20 OC(=O)Cc1ccc(nc1)N 1P00CLD9 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.20 OC(=O)Cc1ccc(nn1)Cl 1P01TEBX [0,1,0,0,0,0|2,0,0]=3 335 B11R1.20 OC(=O)Cc1cnc(nc1)Cl 1P01XA94 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.20 OC(=O)Cc1ncc(cn1)Br 1P00091A [0,1,0,0,0,0|2,0,0]=3 337 B11R1.20 OC(=O)Cc1ncc(cn1)Cl 1P00IIQ4 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.20 OC(=O)Cc1ncc(cn1)F 1P000PQB [0,1,0,0,0,0|2,0,0]=3 339 B11R1.20 OC(=O)Cn1ccc(=O)cc1 1P00DDO9 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.20 [O-]C(=O)Cc1cnc(cn1)C 1P01FLEU [0,1,0,0,0,0|2,0,1]=4 341 B11R1.20 [O-]C(=O)Cc1cnc(cn1)Cl 1P027XC0 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.36 BrC(=C(F)F)c1ccccc1 1P005K5M [0,1,0,0,0,0|2,0,1]=4 343 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [0,1,0,0,0,0|1,0,0]=2 344 B11R1.36 BrC(c1ccccc1)C(=O)O 1P003O8M [0,1,0,0,0,0|0,0,0]=1 345 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,1,0,0,0,0|2,0,1]=4 346 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [0,1,0,0,0,0|2,0,1]=4 347 B11R1.36 C=C(c1ccccc1)C(=O)O 1P0033W1 [0,1,0,0,0,0|0,0,1]=2 348 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [0,1,0,0,0,0|2,0,1]=4 349 B11R1.36 CC(=O)N(c1ccccn1)C 1P00EKLE [0,1,0,0,0,0|3,0,0]=4 350 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [0,1,0,0,0,0|1,0,2]=4 351 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,1,0,0,0,0|0,0,0]=1 355 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,1,0,0,0,0|2,0,1]=4 356 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,1,0,0,0,0|2,0,1]=4 357 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,1,0,0,0,0|1,0,1]=3 358 B11R1.36 CC(c1ccncc1)C(=O)[O-] 1P01C5DY [0,1,0,0,0,0|1,0,1]=3 359 B11R1.36 CC(c1cncnc1)C(=O)O 1P01BEFY [0,1,0,0,0,0|2,0,0]=3 360 B11R1.36 CC(c1cncnc1)C(=O)O 1P01BEFZ [0,1,0,0,0,0|2,0,0]=3 361 B11R1.36 CC(c1ncccn1)C(=O)O 1P00508B [0,1,0,0,0,0|2,0,0]=3 362 B11R1.36 CC(c1ncccn1)C(=O)[O-] 1P01AN4W [0,1,0,0,0,0|2,0,1]=4 363 B11R1.36 CC(c1ncccn1)C(=O)[O-] 1P01X0ZM [0,1,0,0,0,0|2,0,1]=4 364 B11R1.36 CN(C(=O)c1ccccc1)O 1P01HN3S [0,1,0,0,0,0|2,0,1]=4 365 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.36 CN(c1ccccc1)C(=O)C 1P003TNP [0,1,0,0,0,0|2,0,0]=3 367 B11R1.36 CN(c1ccccc1)C(=O)Cl 1P003TOV [0,1,0,0,0,0|2,0,0]=3 368 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,1,0,0,0,0|2,0,0]=3 369 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,1,0,0,0,0|2,1,0]=4 370 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,1,0,0,0,0|0,0,0]=1 371 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,1,0,0,0,0|1,0,0]=2 373 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,1,0,0,0,0|0,0,0]=1 374 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,1,0,0,0,0|3,0,0]=4 375 B11R1.36 ClC(=O)N(c1ccccn1)C 1P027YWH [0,1,0,0,0,0|3,0,0]=4 376 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [0,1,0,0,0,0|1,0,0]=2 377 B11R1.36 ClC(c1ccccc1)C(=O)Cl 1P002XUX [0,1,0,0,0,0|1,0,0]=2 378 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,1,0,0,0,0|1,0,0]=2 379 B11R1.36 ClC(c1ccccc1)C(=O)O 1P0033NY [0,1,0,0,0,0|0,0,0]=1 380 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,1,0,0,0,0|2,0,1]=4 381 B11R1.36 ClN(c1ccccc1)C(=O)C 1P003TCX [0,1,0,0,0,0|2,0,0]=3 382 B11R1.36 Cl[C@@H](c1ccccc1)C(=O)O 1P00C23B [0,1,0,0,0,0|0,0,0]=1 383 B11R1.36 FC(c1ccccc1)C(=O)O 1P001Q6K [0,1,0,0,0,0|0,0,0]=1 384 B11R1.36 NC(=O)C(c1ccccn1)N 1P01ANHW [0,1,0,0,0,0|2,0,0]=3 385 B11R1.36 NC(=O)N(c1cccnc1)C 1P01B28U [0,1,0,0,0,0|3,0,0]=4 386 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [0,1,0,0,0,0|1,0,0]=2 387 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,1,0,0,0,0|1,0,0]=2 388 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,1,0,0,0,0|1,0,0]=2 389 B11R1.36 NC(c1ccccc1)C(=O)O 1P003BUF [0,1,0,0,0,0|0,0,0]=1 390 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,1,0,0,0,0|2,0,1]=4 391 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [0,1,0,0,0,0|2,0,1]=4 393 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,1,0,0,0,0|1,0,1]=3 394 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,1,0,0,0,0|1,0,1]=3 395 B11R1.36 NC(c1cnccn1)C(=O)O 1P008SC0 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.36 NN(c1ccccc1)C(=O)C 1P01G7GO [0,1,0,0,0,0|2,0,0]=3 397 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,1,0,0,0,0|1,0,0]=2 398 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,1,0,0,0,0|1,0,0]=2 399 B11R1.36 N[C@@H](c1ccccc1)C(=O)O 1P003RNB [0,1,0,0,0,0|0,0,0]=1 400 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,1,0,0,0,0|2,0,1]=4 401 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,1,0,0,0,0|2,0,1]=4 402 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [0,1,0,0,0,0|2,0,1]=4 403 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,1,0,0,0,0|1,0,1]=3 404 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,1,0,0,0,0|1,0,1]=3 405 B11R1.36 N[C@H](C1=CCC=CC1)C(=O)O 1P003CJ5 [0,1,0,0,0,0|0,0,2]=3 406 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,1,0,0,0,0|1,0,0]=2 407 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,1,0,0,0,0|1,0,0]=2 408 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P003CPF [0,1,0,0,0,0|0,0,0]=1 409 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P00BK11 [0,1,0,0,0,0|0,0,0]=1 410 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,1,0,0,0,0|2,0,1]=4 411 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,1,0,0,0,0|2,0,1]=4 412 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,1,0,0,0,0|1,0,1]=3 414 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,1,0,0,0,0|1,0,1]=3 415 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,1,0,0,0,0|1,0,1]=3 416 B11R1.36 O=C(c1ccccc1)C(=O)C 1P003BIO [0,1,0,0,0,0|1,0,1]=3 417 B11R1.36 O=C(c1ccccc1)C(=O)Cl 1P007MP4 [0,1,0,0,0,0|1,0,1]=3 418 B11R1.36 O=C(c1ccccc1)C(=O)O 1P00IB9R [0,1,0,0,0,0|0,0,1]=2 419 B11R1.36 O=C(c1ccccc1)C(=O)[O-] 1P006ZS3 [0,1,0,0,0,0|0,0,2]=3 420 B11R1.36 O=C(c1ccccc1)C(=S)N 1P019MWH [0,1,0,0,0,0|1,1,1]=4 421 B11R1.36 OB(C(=C)c1ccccc1)O 1P00APMC [0,1,0,0,0,0|1,0,2]=4 422 B11R1.36 OC(=O)C(=O)c1cccnc1 1P00C8U9 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.36 OC(=O)C(=O)c1cccnc1 1P00J3HH [0,1,0,0,0,0|1,0,1]=3 424 B11R1.36 OC(=O)C(c1ccccn1)N 1P003GT2 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.36 OC(=O)C(c1cccnc1)C 1P00IGF2 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.36 OC(=O)C(c1cccnc1)N 1P00EADJ [0,1,0,0,0,0|1,0,0]=2 427 B11R1.36 OC(=O)C(c1cccnc1)N 1P00IG20 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.36 OC(=O)C(c1cccnc1)N 1P019XJQ [0,1,0,0,0,0|1,0,0]=2 429 B11R1.36 OC(=O)C(c1cccnc1)O 1P00DNB5 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.36 OC(=O)[C@@H](c1cccnc1)O 1P028RLW [0,1,0,0,0,0|1,0,0]=2 431 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,1,0,0,0,0|1,0,0]=2 433 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [0,1,0,0,0,0|0,0,0]=1 434 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [0,1,0,0,0,0|0,0,1]=2 435 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [0,1,0,0,0,0|2,0,1]=4 437 B11R1.36 OC(c1ccncc1)C(=O)[O-] 1P0293JF [0,1,0,0,0,0|1,0,1]=3 438 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,1,0,0,0,0|1,0,0]=2 439 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [0,1,0,0,0,0|0,0,0]=1 440 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [0,1,0,0,0,0|0,0,0]=1 441 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [0,1,0,0,0,0|2,0,1]=4 443 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,1,0,0,0,0|1,0,0]=2 444 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [0,1,0,0,0,0|0,0,0]=1 445 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [0,1,0,0,0,0|0,0,0]=1 446 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [0,1,0,0,0,0|0,0,0]=1 447 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,1,0,0,0,0|2,0,1]=4 448 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [0,1,0,0,0,0|2,0,1]=4 449 B11R1.36 SC(c1ccccc1)C(=O)O 1P00E0CY [0,1,0,0,0,0|0,0,0]=1 450 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.36 [O-]C(=O)C(c1ccccn1)C 1P01BFWO [0,1,0,0,0,0|1,0,1]=3 452 B11R1.36 [O-]C(=O)C(c1ccccn1)F 1P01BI6I [0,1,0,0,0,0|1,0,1]=3 453 B11R1.36 [O-]C(=O)C(c1ccccn1)O 1P01BG8Q [0,1,0,0,0,0|1,0,1]=3 454 B11R1.36 [O-]C(=O)C(c1cccnc1)C 1P028SSQ [0,1,0,0,0,0|1,0,1]=3 455 B11R1.36 [O-]C(=O)C(c1ccncn1)C 1P0282D1 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.36 [O-]C(=O)C(c1cnccn1)C 1P01BY2T [0,1,0,0,0,0|2,0,1]=4 457 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,1,0,0,0,0|2,0,1]=4 458 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,1,0,0,0,0|1,0,0]=2 459 B11R1.40 BrCC(=O)Oc1ccccc1 1P0035XL [0,1,0,0,0,0|2,0,0]=3 460 B11R1.40 C#CC(=O)Cc1ccccc1 1P01A2K5 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.40 C=CC(=O)Cc1ccccc1 1P01ADIQ [0,1,0,0,0,0|1,0,0]=2 462 B11R1.40 C=CC(=O)Nc1ccccc1 1P00C29T [0,1,0,0,0,0|2,0,0]=3 463 B11R1.40 C=CC(=O)Nc1ccccn1 1P01BDX8 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.40 C=CC(=O)Oc1ccccc1 1P003U5I [0,1,0,0,0,0|2,0,0]=3 465 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,1,0,0,0,0|1,0,1]=3 466 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,1,0,0,0,0|2,0,1]=4 468 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,1,0,0,0,0|2,0,0]=3 470 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,1,0,0,0,0|2,0,0]=3 471 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,0,0,0,0|2,0,1]=4 473 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,0,0,0,0|1,0,1]=3 474 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,1,0,0,0,0|2,0,1]=4 475 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,0,0,0,0|3,0,0]=4 476 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,0,0,0,0|2,0,1]=4 477 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,0,0,0,0|1,0,1]=3 478 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,0,0,0,0|2,0,1]=4 479 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,0,0,0,0|1,0,1]=3 480 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [0,1,0,0,0,0|1,0,0]=2 482 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [0,1,0,0,0,0|2,0,0]=3 483 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [0,1,0,0,0,0|2,0,0]=3 484 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [0,1,0,0,0,0|2,1,0]=4 486 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,1,0,0,0,0|1,0,1]=3 487 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [0,1,0,0,0,0|1,0,0]=2 488 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [0,1,0,0,0,0|0,0,0]=1 489 B11R1.40 COC(=O)Cc1ccccn1 1P001WTF [0,1,0,0,0,0|1,0,0]=2 490 B11R1.40 COC(=O)Cc1cccnc1 1P0037QD [0,1,0,0,0,0|1,0,0]=2 491 B11R1.40 COC(=O)Cc1cccnn1 1P00I7TS [0,1,0,0,0,0|2,0,0]=3 492 B11R1.40 COC(=O)Cc1ccncc1 1P0035OG [0,1,0,0,0,0|1,0,0]=2 493 B11R1.40 COC(=O)Cc1ccncc1 1P003SCV [0,1,0,0,0,0|1,0,0]=2 494 B11R1.40 COC(=O)Cc1ccncn1 1P004N89 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.40 COC(=O)Cc1ccnnc1 1P00IEGT [0,1,0,0,0,0|2,0,0]=3 496 B11R1.40 COC(=O)Cc1cnccn1 1P007CSK [0,1,0,0,0,0|2,0,0]=3 497 B11R1.40 COC(=O)Cc1cncnc1 1P00I19C [0,1,0,0,0,0|2,0,0]=3 498 B11R1.40 COC(=O)Cc1ncccn1 1P003S1H [0,1,0,0,0,0|2,0,0]=3 499 B11R1.40 COC(=O)Nc1ccccc1 1P002RWQ [0,1,0,0,0,0|1,0,0]=2 500 B11R1.40 COC(=O)Oc1ccccc1 1P003SIP [0,1,0,0,0,0|1,0,0]=2 501 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.40 ClCC(=O)Nc1ccccc1 1P003HJM [0,1,0,0,0,0|2,0,0]=3 504 B11R1.40 ClCC(=O)Nc1ccccn1 1P00D91L [0,1,0,0,0,0|3,0,0]=4 505 B11R1.40 ClCC(=O)Nc1ccccn1 1P00GWQ7 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.40 ClCC(=O)Nc1cccnc1 1P005OSA [0,1,0,0,0,0|3,0,0]=4 507 B11R1.40 ClCC(=O)Nc1cccnc1 1P01AHLG [0,1,0,0,0,0|3,0,0]=4 508 B11R1.40 ClCC(=O)Nc1ccncc1 1P0052LJ [0,1,0,0,0,0|3,0,0]=4 509 B11R1.40 ClCC(=O)Nc1ccncc1 1P01AHLH [0,1,0,0,0,0|3,0,0]=4 510 B11R1.40 ClCC(=O)Oc1ccccc1 1P01DQKJ [0,1,0,0,0,0|2,0,0]=3 511 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,1,0,0,0,0|1,0,1]=3 512 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,1,0,0,0,0|1,0,1]=3 513 B11R1.40 ICC(=O)Nc1ccccc1 1P00IN3U [0,1,0,0,0,0|2,0,0]=3 514 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,1,0,0,0,0|2,0,1]=4 516 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,1,0,0,0,0|2,0,1]=4 517 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,1,0,0,0,0|1,0,0]=2 518 B11R1.40 NCC(=O)Nc1ccccc1 1P00DDPM [0,1,0,0,0,0|2,0,0]=3 519 B11R1.40 NCC(=O)Nc1ccccc1 1P00DL14 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.40 NCC(=O)Nc1ccccn1 1P01A0T0 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.40 NCC(=O)Nc1cccnc1 1P00BKLU [0,1,0,0,0,0|3,0,0]=4 522 B11R1.40 NCC(=O)Nc1ccncc1 1P028498 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.40 NCC(=O)Sc1ccccc1 1P028EBQ [0,1,0,0,0,0|2,0,0]=3 524 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,1,0,0,0,0|2,0,1]=4 526 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,1,0,0,0,0|1,0,1]=3 527 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,1,0,0,0,0|2,0,1]=4 529 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,1,0,0,0,0|1,0,1]=3 530 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,1,0,0,0,0|2,0,1]=4 531 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,1,0,0,0,0|1,0,1]=3 532 B11R1.40 NNC(=O)C[n+]1ccccc1 1P0032Z5 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.40 NNC(=O)Cc1ccccn1 1P005PSM [0,1,0,0,0,0|2,0,0]=3 535 B11R1.40 NNC(=O)Cc1cccnc1 1P002B6V [0,1,0,0,0,0|2,0,0]=3 536 B11R1.40 NNC(=O)Cc1ccncc1 1P00FB95 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,1,0,0,0,0|2,1,0]=4 541 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,1,0,0,0,0|2,0,1]=4 542 B11R1.40 O=CC(=Cc1ccccc1)C 1P0003W3 [0,1,0,0,0,0|1,0,1]=3 543 B11R1.40 O=CC(=Cc1ccccc1)Cl 1P002898 [0,1,0,0,0,0|1,0,1]=3 544 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,1,0,0,0,0|2,0,0]=3 546 B11R1.40 O=C\C(=C\c1ccccc1)\Br 1P003O8L [0,1,0,0,0,0|1,0,1]=3 547 B11R1.40 O=C\C(=C\c1ccccc1)\C 1P00ACHR [0,1,0,0,0,0|1,0,1]=3 548 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.40 O=NN(Cc1cccnc1)C 1P01XLZV [0,1,0,0,0,0|3,0,0]=4 550 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,1,0,0,0,0|1,0,1]=3 551 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,1,0,0,0,0|1,0,1]=3 552 B11R1.40 OCC(=Cc1ccccc1)C 1P001N1I [0,1,0,0,0,0|1,0,1]=3 553 B11R1.40 OCC(=O)Nc1ccccc1 1P00DHB3 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,1,0,0,0,0|1,0,1]=3 555 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,1,0,0,0,0|1,0,1]=3 556 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,1,0,0,0,0|2,0,1]=4 557 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,1,0,0,0,0|2,0,1]=4 560 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,1,0,0,0,0|1,0,1]=3 561 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,1,0,0,0,0|0,0,2]=3 562 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,1,0,0,0,0|2,0,1]=4 563 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,1,0,0,0,0|1,0,1]=3 564 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,1,0,0,0,0|1,0,1]=3 565 B11R1.40 ON=C(Cc1ccccc1)Cl 1P00ICH1 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.40 ON=C(Cc1ccccn1)N 1P00C7ZC [0,1,0,0,0,0|2,0,0]=3 567 B11R1.40 ON=C(Cc1ccncc1)C 1P00B9HK [0,1,0,0,0,0|2,0,0]=3 568 B11R1.40 ON=C(Nc1ccccc1)N 1P028FCV [0,1,0,0,0,0|2,0,0]=3 569 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [0,1,0,0,0,0|1,0,0]=2 570 B11R1.40 ONC(=N)Cc1cccnc1 1P0013TZ [0,1,0,0,0,0|2,0,0]=3 571 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [0,1,0,0,0,0|0,0,0]=1 572 B11R1.40 ONC(=O)Oc1ccccc1 1P00CYVR [0,1,0,0,0,0|1,0,0]=2 573 B11R1.40 O\N=C(\Cc1cccnc1)/N 1P00DAK0 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.40 SCC(=O)Nc1ccccc1 1P006XF9 [0,1,0,0,0,0|1,1,0]=3 575 B11R1.40 SCC(=O)Nc1ccccn1 1P006OJA [0,1,0,0,0,0|2,1,0]=4 576 B11R1.86 BrC(=Cc1ccccc1F)Br 1P01BSTG [0,1,0,0,0,0|2,0,1]=4 577 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [0,1,0,0,0,0|1,0,0]=2 578 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [0,1,0,0,0,0|1,0,0]=2 580 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [0,1,0,0,0,0|1,0,0]=2 581 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [0,1,0,0,0,0|1,0,0]=2 582 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [0,1,0,0,0,0|1,0,0]=2 583 B11R1.86 CC(=O)Cc1ccncc1C 1P028QLT [0,1,0,0,0,0|2,0,0]=3 584 B11R1.86 CC(=O)Cc1ncccc1Br 1P01A0L8 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.86 CC(=O)Cc1ncccc1C 1P00C8O3 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.86 CC(=O)Cc1ncccc1Cl 1P01ALQN [0,1,0,0,0,0|2,0,0]=3 587 B11R1.86 CC(=O)Cn1ccccc1=O 1P01BEJK [0,1,0,0,0,0|2,0,0]=3 588 B11R1.86 CC(=O)Nc1ccccc1Br 1P003BNA [0,1,0,0,0,0|2,0,0]=3 589 B11R1.86 CC(=O)Nc1ccccc1C 1P000QH9 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.86 CC(=O)Nc1ccccc1Cl 1P003BO5 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.86 CC(=O)Nc1ccccc1F 1P003BOW [0,1,0,0,0,0|2,0,0]=3 592 B11R1.86 CC(=O)Nc1ccccc1I 1P007RN6 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.86 CC(=O)Nc1ccccc1N 1P003BMT [0,1,0,0,0,0|2,0,0]=3 594 B11R1.86 CC(=O)Nc1ccccc1O 1P003GR9 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.86 CC(=O)Nc1cccnc1N 1P01A75N [0,1,0,0,0,0|3,0,0]=4 596 B11R1.86 CC(=O)Nc1cccnc1O 1P00G9SH [0,1,0,0,0,0|3,0,0]=4 597 B11R1.86 CC(=O)Nc1ccncc1C 1P008Z6R [0,1,0,0,0,0|3,0,0]=4 598 B11R1.86 CC(=O)Nc1ccncc1I 1P01SP48 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.86 CC(=O)Nc1ccncc1N 1P001L6W [0,1,0,0,0,0|3,0,0]=4 600 B11R1.86 CC(=O)Nc1ncccc1C 1P005WE9 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.86 CC(=O)Nc1ncccc1O 1P00CKHR [0,1,0,0,0,0|3,0,0]=4 602 B11R1.86 CC(=O)Oc1ccccc1Br 1P0024OT [0,1,0,0,0,0|2,0,0]=3 603 B11R1.86 CC(=O)Oc1ccccc1Cl 1P003HJS [0,1,0,0,0,0|2,0,0]=3 604 B11R1.86 CC(=O)Oc1ccccc1I 1P00C7MR [0,1,0,0,0,0|2,0,0]=3 605 B11R1.86 CC(=O)Oc1ccccc1O 1P01BUNR [0,1,0,0,0,0|2,0,0]=3 606 B11R1.86 CC(=O)Oc1coccc1=O 1P028MQ2 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.86 CC(Cc1ccccc1C)N 1P00DB4P [0,1,0,0,0,0|2,0,1]=4 608 B11R1.86 CC(Cc1ccccc1Cl)O 1P01EXHL [0,1,0,0,0,0|1,0,1]=3 609 B11R1.86 CC(Cc1ccccc1I)N 1P00BKEF [0,1,0,0,0,0|2,0,1]=4 610 B11R1.86 CC(Cc1ccccc1N)C 1P005KTS [0,1,0,0,0,0|2,0,1]=4 611 B11R1.86 CC(Cc1ccccc1O)C 1P00D6I3 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.86 CC(Cc1ccccc1O)N 1P01DX8H [0,1,0,0,0,0|2,0,1]=4 613 B11R1.86 CN(Cc1ccccc1Br)C 1P002BE6 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.86 CN(Cc1ccccc1F)C 1P002NM7 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.86 CN(Cc1ccccc1N)C 1P002F0H [0,1,0,0,0,0|3,0,0]=4 616 B11R1.86 CN(Cc1ccccc1N)C 1P00G7QZ [0,1,0,0,0,0|3,0,0]=4 617 B11R1.86 CN(Cc1ccccc1N)C 1P00J208 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.86 CS(=O)Cc1ccccc1N 1P01AC6V [0,1,0,0,0,0|2,0,0]=3 619 B11R1.86 Cc1ccncc1CC(=O)O 1P01AVGM [0,1,0,0,0,0|1,0,0]=2 620 B11R1.86 Cc1ccncc1CC(=O)O 1P01B59V [0,1,0,0,0,0|1,0,0]=2 621 B11R1.86 Cc1ccncc1NC(=O)C 1P00DMO8 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.86 Cc1ncccc1CC(=O)O 1P01BAVJ [0,1,0,0,0,0|1,0,0]=2 623 B11R1.86 ClC(=O)Cc1ccccc1Cl 1P003HJY [0,1,0,0,0,0|1,0,0]=2 624 B11R1.86 ClC(=O)Cc1ccccc1F 1P003F8E [0,1,0,0,0,0|1,0,0]=2 625 B11R1.86 ClC(=O)Oc1ccccc1C 1P007RD1 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.86 ClC(=O)Oc1ccccc1Cl 1P007RD2 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.86 ClC(=O)Oc1ccccc1F 1P01BCPK [0,1,0,0,0,0|2,0,0]=3 628 B11R1.86 FC(Cc1ccccc1Br)F 1P028WPX [0,1,0,0,0,0|2,0,1]=4 629 B11R1.86 NC(=N)Cc1ccccc1Br 1P009BM9 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.86 NC(=N)Cc1ccccc1C 1P00JTDN [0,1,0,0,0,0|2,0,0]=3 631 B11R1.86 NC(=N)Cc1ccccc1Cl 1P00DK5P [0,1,0,0,0,0|2,0,0]=3 632 B11R1.86 NC(=N)Cc1ccccc1F 1P00IED3 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.86 NC(=N)Nc1ccccc1C 1P00C6NB [0,1,0,0,0,0|3,0,0]=4 634 B11R1.86 NC(=N)Nc1ccccc1C 1P00FEG8 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.86 NC(=N)Nc1ccccc1Cl 1P00C3UH [0,1,0,0,0,0|3,0,0]=4 636 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.86 NC(=O)Cc1ccccc1Cl 1P0008KE [0,1,0,0,0,0|1,0,0]=2 638 B11R1.86 NC(=O)Cc1ccccc1F 1P00I6ND [0,1,0,0,0,0|1,0,0]=2 639 B11R1.86 NC(=O)Cc1ccccc1N 1P00BZX4 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.86 NC(=O)Cc1ccccc1O 1P006Y9M [0,1,0,0,0,0|1,0,0]=2 641 B11R1.86 NC(=O)Nc1ccccc1Br 1P000W2U [0,1,0,0,0,0|2,0,0]=3 642 B11R1.86 NC(=O)Nc1ccccc1C 1P003TZ2 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.86 NC(=O)Nc1ccccc1Cl 1P000AQ3 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.86 NC(=O)Nc1ccccc1F 1P003HSV [0,1,0,0,0,0|2,0,0]=3 645 B11R1.86 NC(=S)Cc1ccccc1Br 1P008SJN [0,1,0,0,0,0|1,1,0]=3 646 B11R1.86 NC(=S)Cc1ccccc1F 1P00H9ZX [0,1,0,0,0,0|1,1,0]=3 647 B11R1.86 NC(=S)Nc1ccccc1Br 1P003865 [0,1,0,0,0,0|2,1,0]=4 648 B11R1.86 NC(=S)Nc1ccccc1C 1P00IBBO [0,1,0,0,0,0|2,1,0]=4 649 B11R1.86 NC(=S)Nc1ccccc1Cl 1P0032OG [0,1,0,0,0,0|2,1,0]=4 650 B11R1.86 NC(=S)Nc1ccccc1F 1P003BFU [0,1,0,0,0,0|2,1,0]=4 651 B11R1.86 Nc1ncccc1CC(=O)O 1P000686 [0,1,0,0,0,0|1,0,0]=2 652 B11R1.86 Nc1ncccc1CC(=O)O 1P01BE2W [0,1,0,0,0,0|1,0,0]=2 653 B11R1.86 OB(Cc1ccccc1Cl)O 1P018SHU [0,1,0,0,0,0|1,0,1]=3 654 B11R1.86 OC(=O)Cc1ccc[nH]c1=O 1P01KJHL [0,1,0,0,0,0|1,0,0]=2 655 B11R1.86 OC(=O)Cc1ccccc1Br 1P0033NF [0,1,0,0,0,0|0,0,0]=1 656 B11R1.86 OC(=O)Cc1ccccc1C 1P003I6V [0,1,0,0,0,0|0,0,0]=1 657 B11R1.86 OC(=O)Cc1ccccc1Cl 1P003HJX [0,1,0,0,0,0|0,0,0]=1 658 B11R1.86 OC(=O)Cc1ccccc1F 1P003HSU [0,1,0,0,0,0|0,0,0]=1 659 B11R1.86 OC(=O)Cc1ccccc1I 1P0033TV [0,1,0,0,0,0|0,0,0]=1 660 B11R1.86 OC(=O)Cc1ccccc1N 1P00BXSN [0,1,0,0,0,0|0,0,0]=1 661 B11R1.86 OC(=O)Cc1ccccc1O 1P0033TN [0,1,0,0,0,0|0,0,0]=1 662 B11R1.86 OC(=O)Cc1cccnc1Br 1P000JSL [0,1,0,0,0,0|1,0,0]=2 663 B11R1.86 OC(=O)Cc1cccnc1Cl 1P00392A [0,1,0,0,0,0|1,0,0]=2 664 B11R1.86 OC(=O)Cc1cccnc1F 1P00015G [0,1,0,0,0,0|1,0,0]=2 665 B11R1.86 OC(=O)Cc1ccncc1C 1P01ADGP [0,1,0,0,0,0|1,0,0]=2 666 B11R1.86 OC(=O)Cc1ccncc1N 1P008D16 [0,1,0,0,0,0|1,0,0]=2 667 B11R1.86 OC(=O)Cc1cnc[nH]c1=O 1P0285W9 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.86 OC(=O)Cc1cnccc1Cl 1P01BAKZ [0,1,0,0,0,0|1,0,0]=2 669 B11R1.86 OC(=O)Cc1ncccc1Br 1P00668C [0,1,0,0,0,0|1,0,0]=2 670 B11R1.86 OC(=O)Cc1ncccc1C 1P00J3E2 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.86 OC(=O)Cc1ncccc1Cl 1P003JSB [0,1,0,0,0,0|1,0,0]=2 672 B11R1.86 OC(=O)Cc1ncccc1F 1P00015F [0,1,0,0,0,0|1,0,0]=2 673 B11R1.86 OC(=O)Cc1ncccc1F 1P01BGTL [0,1,0,0,0,0|1,0,0]=2 674 B11R1.86 OC(=O)Cc1nccnc1Cl 1P00A11T [0,1,0,0,0,0|2,0,0]=3 675 B11R1.86 OC(=O)Cc1nccnc1Cl 1P00I1YQ [0,1,0,0,0,0|2,0,0]=3 676 B11R1.86 OC(=O)Cn1ccccc1=N 1P000STV [0,1,0,0,0,0|1,0,0]=2 677 B11R1.86 OC(=O)Cn1ccccc1=O 1P00EE85 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.86 OC(=O)Cn1cccnc1=O 1P006P20 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.86 OC(=O)Cn1cnccc1=O 1P01C2ES [0,1,0,0,0,0|2,0,0]=3 680 B11R1.86 OC(=O)Cn1ncccc1=O 1P00JATE [0,1,0,0,0,0|2,0,0]=3 681 B11R1.86 [O-]C(=O)Cc1ccccc1N 1P00EO9O [0,1,0,0,0,0|0,0,1]=2 682 B11R1.86 [O-]C(=O)Cc1ccncc1Cl 1P01FLEZ [0,1,0,0,0,0|1,0,1]=3 683 B11R1.86 [O-]C(=O)Cc1ccncc1F 1P028HR9 [0,1,0,0,0,0|1,0,1]=3 684 B11R1.86 [O-]C(=O)Cc1cncnc1Cl 1P0283PJ [0,1,0,0,0,0|2,0,1]=4 685 B11R1.86 [O-]C(=O)Cc1ncccc1Cl 1P001V8Q [0,1,0,0,0,0|1,0,1]=3 686 B11R1.86 [O-]C(=O)Cc1ncncc1Br 1P01B9IO [0,1,0,0,0,0|2,0,1]=4 687 B11R1.86 [O-]C(=O)Cc1ncncc1Br 1P01B9O5 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.86 [O-]C(=O)Cc1ncncc1Cl 1P01BCNZ [0,1,0,0,0,0|2,0,1]=4 689 B11R1.86 [O-]C(=O)Cn1cnccc1=O 1P0284X6 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.86 [O-][N+](=O)Cc1ccccc1F 1P0290A8 [0,1,0,0,0,0|1,0,1]=3 691 B11R1.86 [O-][N+](=O)Cc1ncccc1Br 1P028Z9J [0,1,0,0,0,0|2,0,1]=4 692 B11R1.157 BrC(=Cc1cccc(c1)F)Br 1P01BSTH [0,1,0,0,0,0|2,0,1]=4 693 B11R1.157 CC(=C)Cc1cccc(c1)F 1P006BT5 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.157 CC(=O)Cc1cccc(c1)Br 1P00BC3Y [0,1,0,0,0,0|1,0,0]=2 695 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [0,1,0,0,0,0|1,0,0]=2 696 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1P001GKC [0,1,0,0,0,0|1,0,0]=2 697 B11R1.157 CC(=O)Cc1cccc(c1)F 1P001ZL5 [0,1,0,0,0,0|1,0,0]=2 698 B11R1.157 CC(=O)Cc1cccc(n1)C 1P00FDR0 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.157 CC(=O)Cc1nccc(c1)C 1P0072NV [0,1,0,0,0,0|2,0,0]=3 700 B11R1.157 CC(=O)Nc1cc(Br)ccn1 1P0008JS [0,1,0,0,0,0|3,0,0]=4 701 B11R1.157 CC(=O)Nc1cc(Cl)ccn1 1P002OTA [0,1,0,0,0,0|3,0,0]=4 702 B11R1.157 CC(=O)Nc1cc(I)ccn1 1P004QOG [0,1,0,0,0,0|3,0,0]=4 703 B11R1.157 CC(=O)Nc1cc(N)ccn1 1P0038XF [0,1,0,0,0,0|3,0,0]=4 704 B11R1.157 CC(=O)Nc1cccc(c1)Br 1P00ECJ9 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.157 CC(=O)Nc1cccc(c1)C 1P003K73 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1P003JQW [0,1,0,0,0,0|2,0,0]=3 707 B11R1.157 CC(=O)Nc1cccc(c1)F 1P003SRL [0,1,0,0,0,0|2,0,0]=3 708 B11R1.157 CC(=O)Nc1cccc(c1)I 1P002GA9 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.157 CC(=O)Nc1cccc(c1)N 1P0006PM [0,1,0,0,0,0|2,0,0]=3 710 B11R1.157 CC(=O)Nc1cccc(c1)N 1P019GG3 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.157 CC(=O)Nc1cccc(c1)O 1P00IBFR [0,1,0,0,0,0|2,0,0]=3 712 B11R1.157 CC(=O)Nc1cccc(c1)S 1P01DX1Y [0,1,0,0,0,0|2,0,0]=3 713 B11R1.157 CC(=O)Nc1cccc(n1)Br 1P002RFG [0,1,0,0,0,0|3,0,0]=4 714 B11R1.157 CC(=O)Nc1cccc(n1)C 1P00DEAT [0,1,0,0,0,0|3,0,0]=4 715 B11R1.157 CC(=O)Nc1cccc(n1)N 1P003GR6 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.157 CC(=O)Nc1ccnc(c1)Cl 1P0080T9 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.157 CC(=O)Nc1ccnc(c1)N 1P019E5R [0,1,0,0,0,0|3,0,0]=4 718 B11R1.157 CC(=O)Nc1cncc(c1)Br 1P001QTQ [0,1,0,0,0,0|3,0,0]=4 719 B11R1.157 CC(=O)Nc1nccc(c1)C 1P00DA00 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.157 CC(=O)Oc1cccc(c1)Br 1P00C7TF [0,1,0,0,0,0|2,0,0]=3 721 B11R1.157 CC(=O)Oc1cccc(c1)C 1P0016ZW [0,1,0,0,0,0|2,0,0]=3 722 B11R1.157 CC(=O)Oc1cccc(c1)Cl 1P000UR7 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.157 CC(=O)Oc1cccc(c1)F 1P003JY7 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.157 CC(=O)Oc1cccc(c1)I 1P00CLS4 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.157 CC(=O)Oc1cccc(c1)O 1P0006PL [0,1,0,0,0,0|2,0,0]=3 726 B11R1.157 CC(Cc1cc(Br)ccn1)O 1P01FM2O [0,1,0,0,0,0|2,0,1]=4 727 B11R1.157 CC(Cc1cccc(c1)Br)C 1P001AW5 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.157 CC(Cc1cccc(c1)Br)N 1P00EKIM [0,1,0,0,0,0|2,0,1]=4 729 B11R1.157 CC(Cc1cccc(c1)C)N 1P00EM0G [0,1,0,0,0,0|2,0,1]=4 730 B11R1.157 CC(Cc1cccc(c1)Cl)Br 1P01BCMF [0,1,0,0,0,0|2,0,1]=4 731 B11R1.157 CC(Cc1cccc(c1)Cl)N 1P00I7HN [0,1,0,0,0,0|2,0,1]=4 732 B11R1.157 CC(Cc1cccc(c1)Cl)O 1P01DIZP [0,1,0,0,0,0|1,0,1]=3 733 B11R1.157 CC(Cc1cccc(c1)F)O 1P01A08E [0,1,0,0,0,0|1,0,1]=3 734 B11R1.157 CC(Cc1cccc(c1)I)C 1P0283V2 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.157 CC(Cc1cccc(c1)I)N 1P002DNG [0,1,0,0,0,0|2,0,1]=4 736 B11R1.157 CC(Cc1cccc(c1)O)N 1P00939S [0,1,0,0,0,0|2,0,1]=4 737 B11R1.157 CC(Cc1cccc(c1)O)N 1P01C23Z [0,1,0,0,0,0|2,0,1]=4 738 B11R1.157 CN(Cc1cccc(c1)Br)C 1P00I9A0 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.157 CN(Cc1cccc(c1)N)C 1P00BCAX [0,1,0,0,0,0|3,0,0]=4 740 B11R1.157 CN(Cc1cccc(c1)O)C 1P00EM5J [0,1,0,0,0,0|3,0,0]=4 741 B11R1.157 CS(=O)Cc1cccc(c1)N 1P01AJ7C [0,1,0,0,0,0|2,0,0]=3 742 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P001MC9 [0,1,0,0,0,0|1,0,0]=2 743 B11R1.157 Cc1cc(CC(=O)O)ncc1 1P00J3D5 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.157 Cc1cccc(n1)CC(=O)O 1P00H3BS [0,1,0,0,0,0|1,0,0]=2 745 B11R1.157 Cc1cccc(n1)CC(=O)O 1P01UO90 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.157 ClC(=O)Cc1cccc(c1)C 1P001AQH [0,1,0,0,0,0|1,0,0]=2 747 B11R1.157 ClC(=O)Cc1cccc(c1)Cl 1P00CB7L [0,1,0,0,0,0|1,0,0]=2 748 B11R1.157 ClC(=O)Cc1cccc(c1)F 1P00DES1 [0,1,0,0,0,0|1,0,0]=2 749 B11R1.157 ClC(=O)Oc1cccc(c1)Br 1P01B3V1 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.157 ClC(=O)Oc1cccc(c1)C 1P002YUE [0,1,0,0,0,0|2,0,0]=3 751 B11R1.157 ClC(=O)Oc1cccc(c1)Cl 1P01B3V3 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.157 ClC(=O)Oc1cccc(c1)F 1P01B3V5 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.157 FC(Cc1cccc(c1)N)F 1P023NV9 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.157 NC(=N)Cc1cccc(c1)Br 1P00HFIH [0,1,0,0,0,0|2,0,0]=3 755 B11R1.157 NC(=N)Cc1cccc(c1)Cl 1P00EQSS [0,1,0,0,0,0|2,0,0]=3 756 B11R1.157 NC(=N)Cc1cccc(c1)F 1P00IED4 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.157 NC(=N)Cc1cccc(n1)Br 1P028CKE [0,1,0,0,0,0|3,0,0]=4 758 B11R1.157 NC(=N)Nc1cccc(c1)Br 1P017386 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.157 NC(=N)Nc1cccc(c1)C 1P00J5RB [0,1,0,0,0,0|3,0,0]=4 760 B11R1.157 NC(=N)Nc1cccc(c1)Cl 1P00EAGY [0,1,0,0,0,0|3,0,0]=4 761 B11R1.157 NC(=O)Cc1cc(Cl)ccn1 1P0035UY [0,1,0,0,0,0|2,0,0]=3 762 B11R1.157 NC(=O)Cc1cccc(c1)Br 1P00IB5E [0,1,0,0,0,0|1,0,0]=2 763 B11R1.157 NC(=O)Cc1cccc(c1)Cl 1P00EB7X [0,1,0,0,0,0|1,0,0]=2 764 B11R1.157 NC(=O)Cc1cccc(c1)N 1P000U3S [0,1,0,0,0,0|1,0,0]=2 765 B11R1.157 NC(=O)Cc1cccc(c1)O 1P007OXP [0,1,0,0,0,0|1,0,0]=2 766 B11R1.157 NC(=O)Cc1cncc(c1)F 1P01EM25 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.157 NC(=O)Nc1cccc(c1)Br 1P003JLO [0,1,0,0,0,0|2,0,0]=3 768 B11R1.157 NC(=O)Nc1cccc(c1)Cl 1P007RKM [0,1,0,0,0,0|2,0,0]=3 769 B11R1.157 NC(=O)Nc1cccc(c1)F 1P00G38X [0,1,0,0,0,0|2,0,0]=3 770 B11R1.157 NC(=O)Nc1cccc(c1)I 1P01ELM8 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00I5DL [0,1,0,0,0,0|2,0,0]=3 772 B11R1.157 NC(=O)Nc1cccc(c1)N 1P00IB20 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.157 NC(=O)Nc1cccc(c1)O 1P003K1I [0,1,0,0,0,0|2,0,0]=3 774 B11R1.157 NC(=O)Nc1ccnc(c1)Br 1P0290AA [0,1,0,0,0,0|3,0,0]=4 775 B11R1.157 NC(=S)Cc1cccc(c1)C 1P006SWU [0,1,0,0,0,0|1,1,0]=3 776 B11R1.157 NC(=S)Cc1cccc(c1)Cl 1P004VQ7 [0,1,0,0,0,0|1,1,0]=3 777 B11R1.157 NC(=S)Cc1cccc(c1)F 1P01A5WM [0,1,0,0,0,0|1,1,0]=3 778 B11R1.157 NC(=S)Nc1cccc(c1)Br 1P003JLN [0,1,0,0,0,0|2,1,0]=4 779 B11R1.157 NC(=S)Nc1cccc(c1)C 1P00EE8Y [0,1,0,0,0,0|2,1,0]=4 780 B11R1.157 NC(=S)Nc1cccc(c1)Cl 1P003455 [0,1,0,0,0,0|2,1,0]=4 781 B11R1.157 NC(=S)Nc1cccc(c1)F 1P003DDO [0,1,0,0,0,0|2,1,0]=4 782 B11R1.157 NC(=S)Nc1cccc(c1)O 1P003DDT [0,1,0,0,0,0|2,1,0]=4 783 B11R1.157 Nc1cccc(n1)CC(=O)O 1P01K4C9 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.157 OC(=O)Cc1cc(Br)ccn1 1P0096B0 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.157 OC(=O)Cc1cccc(c1)Br 1P002GYM [0,1,0,0,0,0|0,0,0]=1 786 B11R1.157 OC(=O)Cc1cccc(c1)C 1P00391S [0,1,0,0,0,0|0,0,0]=1 787 B11R1.157 OC(=O)Cc1cccc(c1)Cl 1P002GYO [0,1,0,0,0,0|0,0,0]=1 788 B11R1.157 OC(=O)Cc1cccc(c1)F 1P00346B [0,1,0,0,0,0|0,0,0]=1 789 B11R1.157 OC(=O)Cc1cccc(c1)I 1P002GYK [0,1,0,0,0,0|0,0,0]=1 790 B11R1.157 OC(=O)Cc1cccc(c1)N 1P003JEL [0,1,0,0,0,0|0,0,0]=1 791 B11R1.157 OC(=O)Cc1cccc(c1)N 1P01AHAA [0,1,0,0,0,0|0,0,0]=1 792 B11R1.157 OC(=O)Cc1cccc(c1)O 1P00346V [0,1,0,0,0,0|0,0,0]=1 793 B11R1.157 OC(=O)Cc1cccc(n1)Br 1P008VX4 [0,1,0,0,0,0|1,0,0]=2 794 B11R1.157 OC(=O)Cc1cccc(n1)Cl 1P0047LJ [0,1,0,0,0,0|1,0,0]=2 795 B11R1.157 OC(=O)Cc1cccc(n1)F 1P00015Q [0,1,0,0,0,0|1,0,0]=2 796 B11R1.157 OC(=O)Cc1cccc(n1)O 1P006ES9 [0,1,0,0,0,0|1,0,0]=2 797 B11R1.157 OC(=O)Cc1ccnc(c1)Br 1P00AQF9 [0,1,0,0,0,0|1,0,0]=2 798 B11R1.157 OC(=O)Cc1ccnc(c1)Cl 1P00GS5K [0,1,0,0,0,0|1,0,0]=2 799 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P008C2R [0,1,0,0,0,0|1,0,0]=2 800 B11R1.157 OC(=O)Cc1ccnc(c1)N 1P01DUNP [0,1,0,0,0,0|1,0,0]=2 801 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P01BYES [0,1,0,0,0,0|1,0,0]=2 802 B11R1.157 OC(=O)Cc1ccnc(c1)O 1P028WOD [0,1,0,0,0,0|1,0,0]=2 803 B11R1.157 OC(=O)Cc1cncc(c1)Br 1P0034OP [0,1,0,0,0,0|1,0,0]=2 804 B11R1.157 OC(=O)Cc1cncc(c1)C 1P01AG1I [0,1,0,0,0,0|1,0,0]=2 805 B11R1.157 OC(=O)Cc1cncc(c1)Cl 1P01SNYE [0,1,0,0,0,0|1,0,0]=2 806 B11R1.157 OC(=O)Cc1cncc(c1)F 1P00CMVY [0,1,0,0,0,0|1,0,0]=2 807 B11R1.157 OC(=O)Cc1cncc(c1)O 1P01AMHL [0,1,0,0,0,0|1,0,0]=2 808 B11R1.157 OC(=O)Cc1cncc(n1)Cl 1P00H5VL [0,1,0,0,0,0|2,0,0]=3 809 B11R1.157 OS(=O)Cc1cccc(c1)F 1P01EJ0K [0,1,0,0,0,0|1,0,0]=2 810 B11R1.157 [O-]C(=O)Cc1cccc(n1)C 1P001H77 [0,1,0,0,0,0|1,0,1]=3 811 B11R1.157 [O-]C(=O)Cc1ccnc(c1)C 1P027L2T [0,1,0,0,0,0|1,0,1]=3 812 B11R1.157 [O-]C(=O)Cc1ccnc(c1)F 1P01ALMJ [0,1,0,0,0,0|1,0,1]=3 813 B11R1.157 [O-]C(=O)Cc1nccc(n1)N 1P01C236 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.157 [O-][N+](=O)Cc1cccc(c1)F 1P027AF5 [0,1,0,0,0,0|1,0,1]=3 815 B11R1.157 [S-]C(=S)Nc1cccc(c1)C 1P01DTA4 [0,1,0,0,0,0|1,2,0]=4 816 B11R1.509 CC(Cc1ccccc1)(C)C 1P000347 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.509 CC(Cc1ccccc1)(Cl)C 1P0021FA [0,1,0,0,0,0|2,0,1]=4 818 B11R1.509 CC(Cc1ccccc1)(O)C 1P003I27 [0,1,0,0,0,0|1,0,1]=3 819 B11R1.509 CP(=O)(Cc1ccccc1)C 1P00765L [0,1,0,0,0,0|2,0,0]=3 820 B11R1.509 CS(=O)(=N)Cc1ccccc1 1P007ADZ [0,1,0,0,0,0|2,0,0]=3 821 B11R1.509 CS(=O)(=N)Nc1ccccc1 1P028N9M [0,1,0,0,0,0|3,0,0]=4 822 B11R1.509 CS(=O)(=O)Cc1ccccc1 1P0032MN [0,1,0,0,0,0|1,0,1]=3 823 B11R1.509 CS(=O)(=O)Nc1ccccc1 1P000PXK [0,1,0,0,0,0|2,0,1]=4 824 B11R1.509 CS(=O)(=O)Oc1ccccc1 1P001W62 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0000OI [0,1,0,0,0,0|3,0,0]=4 826 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P000FZG [0,1,0,0,0,0|3,0,0]=4 827 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z5 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z6 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM0 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM2 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM3 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.509 C[Si](Cc1ccccc1)(C)C 1P0034Z7 [0,1,0,0,0,0|2,1,0]=4 833 B11R1.509 C[Si](Cc1ccccc1)(Cl)C 1P0027YB [0,1,0,0,0,0|2,1,0]=4 834 B11R1.509 ClP(=O)(Oc1ccccc1)Cl 1P0035XO [0,1,0,0,0,0|3,0,0]=4 835 B11R1.509 ClS(=O)(=O)Cc1ccccc1 1P00I3I0 [0,1,0,0,0,0|1,0,1]=3 836 B11R1.509 ClS(=O)(=O)Cc1ccccn1 1P01XCO7 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.509 ClS(=O)(=O)Cc1cccnc1 1P002FIT [0,1,0,0,0,0|2,0,1]=4 838 B11R1.509 ClS(=O)(=O)Cc1ccncc1 1P009BJT [0,1,0,0,0,0|2,0,1]=4 839 B11R1.509 ClS(=O)(=O)Cc1ccncc1 1P01K9HT [0,1,0,0,0,0|2,0,1]=4 840 B11R1.509 ClS(=O)(=O)Oc1ccccc1 1P001VK6 [0,1,0,0,0,0|2,0,1]=4 841 B11R1.509 FC(Cc1ccccc1)(F)F 1P00BJVJ [0,1,0,0,0,0|2,0,1]=4 842 B11R1.509 FS(=O)(=O)Cc1ccccc1 1P00I6RD [0,1,0,0,0,0|1,0,1]=3 843 B11R1.509 FS(=O)(=O)Cc1ccncc1 1P028LCB [0,1,0,0,0,0|2,0,1]=4 844 B11R1.509 F[B-](Cc1ccccc1)(F)F 1P00BY6E [0,1,0,0,0,0|3,0,0]=4 845 B11R1.509 NP(=O)(Oc1ccccc1)N 1P003U6N [0,1,0,0,0,0|3,0,0]=4 846 B11R1.509 NS(=O)(=O)Cc1ccccc1 1P0036ER [0,1,0,0,0,0|1,0,1]=3 847 B11R1.509 NS(=O)(=O)Cc1ccccn1 1P00GYX4 [0,1,0,0,0,0|2,0,1]=4 848 B11R1.509 NS(=O)(=O)Cc1cccnc1 1P00G4IE [0,1,0,0,0,0|2,0,1]=4 849 B11R1.509 NS(=O)(=O)Cc1ccncc1 1P01B3BI [0,1,0,0,0,0|2,0,1]=4 850 B11R1.509 NS(=O)(=O)Nc1ccccc1 1P001RNX [0,1,0,0,0,0|2,0,1]=4 851 B11R1.509 NS(=O)(=O)Oc1ccccc1 1P002BNO [0,1,0,0,0,0|2,0,1]=4 852 B11R1.509 OP(=O)(Cc1ccccc1)O 1P003OLT [0,1,0,0,0,0|1,0,0]=2 853 B11R1.509 OP(=O)(Cc1ccccn1)O 1P005O1Q [0,1,0,0,0,0|2,0,0]=3 854 B11R1.509 OP(=O)(Cc1ccncc1)O 1P005O1R [0,1,0,0,0,0|2,0,0]=3 855 B11R1.509 OP(=O)(Oc1ccccc1)O 1P003U6M [0,1,0,0,0,0|2,0,0]=3 856 B11R1.509 OS(=O)(=O)Cc1ccccn1 1P01EKJZ [0,1,0,0,0,0|2,0,0]=3 857 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P003U5V [0,1,0,0,0,0|2,0,1]=4 858 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P003UUA [0,1,0,0,0,0|2,0,1]=4 859 B11R1.509 [O-]P(=O)(Oc1ccccc1)[O-] 1P00HJ92 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.509 [O-]S(=O)(=O)Cc1ccccc1 1P00F1DQ [0,1,0,0,0,0|1,0,1]=3 861 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P001Z8U [0,1,0,0,0,0|2,0,1]=4 862 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P0061Y6 [0,1,0,0,0,0|2,0,1]=4 863 B11R1.509 [O-]S(=O)(=O)Oc1ccccc1 1P01DZ86 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.2 C=CC=CC=CCC(=O)C 1P0286AW [0,0,1,0,0,0|1,0,0]=2 865 B9R0.2 C=CC\C=C\CCC(=O)O 1P028Z1J [0,0,1,0,0,0|0,0,2]=3 866 B9R0.2 C\C=C\C=C\CCC(=O)C 1P028VYS [0,0,1,0,0,0|1,0,2]=4 867 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,1,0,0|2,0,1]=4 868 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,1,0,0|2,0,1]=4 869 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,0|2,0,1]=4 870 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,0|2,0,1]=4 871 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,1,0,0|3,0,0]=4 872 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,1,0,0|3,0,0]=4 873 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,1,0,0|2,0,1]=4 874 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,1,0,0|2,0,1]=4 875 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,1,0,0|2,0,1]=4 876 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,1,0,0|2,0,1]=4 877 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,1,0,0|2,0,1]=4 878 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,1,0,0|2,0,1]=4 879 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,1,0,0|2,0,1]=4 880 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,1,0,0|2,0,1]=4 881 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,1,0,0|2,0,1]=4 882 B11R2.10 BrB1Oc2c(O1)cccc2 1P003H2J [0,0,0,1,0,0|3,0,0]=4 883 B11R2.10 BrC1=Cc2c(C1)cccc2 1P003H8N [0,0,0,1,0,0|2,0,0]=3 884 B11R2.10 BrC1Cc2c(C1)cccc2 1P0024Z3 [0,0,0,1,0,0|2,0,1]=4 885 B11R2.10 Brc1cc2c(o1)cccc2 1P00D8XU [0,0,0,1,0,0|1,0,1]=3 886 B11R2.10 Brc1cc2c(s1)cccc2 1P00DC2I [0,0,0,1,0,0|1,1,1]=4 887 B11R2.10 Brc1nc2c([nH]1)cccc2 1P003H88 [0,0,0,1,0,0|3,0,0]=4 888 B11R2.10 Brc1nc2c(o1)cccc2 1P006HH0 [0,0,0,1,0,0|2,0,0]=3 889 B11R2.10 Brc1nc2c(s1)cccc2 1P002R5X [0,0,0,1,0,0|2,1,0]=4 890 B11R2.10 CC1=Cc2c(C1)cccc2 1P00BVKD [0,0,0,1,0,0|2,0,0]=3 891 B11R2.10 CC1Cc2c(C1)cccc2 1P0036Z1 [0,0,0,1,0,0|2,0,1]=4 892 B11R2.10 CC1Cc2c(N1)cccc2 1P003BPY [0,0,0,1,0,0|2,0,1]=4 893 B11R2.10 CC1Cc2c(O1)cccc2 1P00209S [0,0,0,1,0,0|1,0,1]=3 894 B11R2.10 C[C@@H]1Cc2c(N1)cccc2 1P00BJBQ [0,0,0,1,0,0|2,0,1]=4 895 B11R2.10 C[C@H]1Cc2c(N1)cccc2 1P0070A1 [0,0,0,1,0,0|2,0,1]=4 896 B11R2.10 Cc1cc2c([nH]1)cccc2 1P003I67 [0,0,0,1,0,0|2,0,1]=4 897 B11R2.10 Cc1cc2c(o1)cccc2 1P003I5F [0,0,0,1,0,0|1,0,1]=3 898 B11R2.10 Cc1cc2c(o1)cccn2 1P01IBC2 [0,0,0,1,0,0|2,0,1]=4 899 B11R2.10 Cc1cc2c(s1)cccc2 1P000JCJ [0,0,0,1,0,0|1,1,1]=4 900 B11R2.10 Cc1nc2c([nH]1)cccc2 1P003I5B [0,0,0,1,0,0|3,0,0]=4 901 B11R2.10 Cc1nc2c(o1)cccn2 1P008GLS [0,0,0,1,0,0|3,0,0]=4 902 B11R2.10 Cc1nc2c(o1)ccnc2 1P00G2NS [0,0,0,1,0,0|3,0,0]=4 903 B11R2.10 Cc1nc2c(o1)nccc2 1P00IHCR [0,0,0,1,0,0|3,0,0]=4 904 B11R2.10 Cc1nc2c(s1)cccc2 1P000QIA [0,0,0,1,0,0|2,1,0]=4 905 B11R2.10 Clc1cc2c([nH]1)cccc2 1P00FGG8 [0,0,0,1,0,0|2,0,1]=4 906 B11R2.10 Clc1nc2c([nH]1)cccc2 1P003HID [0,0,0,1,0,0|3,0,0]=4 907 B11R2.10 Clc1nc2c(o1)cccc2 1P003HIH [0,0,0,1,0,0|2,0,0]=3 908 B11R2.10 Clc1nc2c(o1)cccn2 1P0022RO [0,0,0,1,0,0|3,0,0]=4 909 B11R2.10 Clc1nc2c(o1)cncc2 1P000PC6 [0,0,0,1,0,0|3,0,0]=4 910 B11R2.10 Clc1nc2c(o1)nccc2 1P001RXI [0,0,0,1,0,0|3,0,0]=4 911 B11R2.10 Clc1nc2c(s1)cccc2 1P0033NV [0,0,0,1,0,0|2,1,0]=4 912 B11R2.10 Fc1cc2c([nH]1)cccc2 1P01DNNI [0,0,0,1,0,0|2,0,1]=4 913 B11R2.10 Fc1nc2c(s1)cccc2 1P003HS5 [0,0,0,1,0,0|2,1,0]=4 914 B11R2.10 IC1Cc2c(C1)cccc2 1P00BJI6 [0,0,0,1,0,0|2,0,1]=4 915 B11R2.10 Ic1cc2c([nH]1)cccc2 1P002TAV [0,0,0,1,0,0|2,0,1]=4 916 B11R2.10 Ic1cc2c(o1)cccc2 1P006A11 [0,0,0,1,0,0|1,0,1]=3 917 B11R2.10 Ic1cc2c(s1)cccc2 1P00C7ZE [0,0,0,1,0,0|1,1,1]=4 918 B11R2.10 Ic1nc2c(s1)cccc2 1P00834N [0,0,0,1,0,0|2,1,0]=4 919 B11R2.10 NC1Cc2c(C1)cccc2 1P002NHZ [0,0,0,1,0,0|2,0,1]=4 920 B11R2.10 NC1Cc2c(C1)cccc2 1P002ZR8 [0,0,0,1,0,0|2,0,1]=4 921 B11R2.10 NN1Cc2c(C1)cccc2 1P00DIHZ [0,0,0,1,0,0|3,0,0]=4 922 B11R2.10 Nc1cc2c([nH]1)cccc2 1P00C33H [0,0,0,1,0,0|2,0,1]=4 923 B11R2.10 Nc1cc2c(s1)cccc2 1P00DKVI [0,0,0,1,0,0|1,1,1]=4 924 B11R2.10 Nc1nc2c([nH]1)cccc2 1P0063TV [0,0,0,1,0,0|3,0,0]=4 925 B11R2.10 Nc1nc2c(o1)cccc2 1P0033KR [0,0,0,1,0,0|2,0,0]=3 926 B11R2.10 Nc1nc2c(o1)cccn2 1P00C9F9 [0,0,0,1,0,0|3,0,0]=4 927 B11R2.10 Nc1nc2c(o1)ccnc2 1P000F0R [0,0,0,1,0,0|3,0,0]=4 928 B11R2.10 Nc1nc2c(o1)cncc2 1P000S0R [0,0,0,1,0,0|3,0,0]=4 929 B11R2.10 Nc1nc2c(o1)nccc2 1P00760G [0,0,0,1,0,0|3,0,0]=4 930 B11R2.10 Nc1nc2c(s1)cccc2 1P003H1F [0,0,0,1,0,0|2,1,0]=4 931 B11R2.10 Nc1nc2c(s1)cccc2 1P00IJ00 [0,0,0,1,0,0|2,1,0]=4 932 B11R2.10 O=C1Cc2c(C1)cccc2 1P003HWU [0,0,0,1,0,0|1,0,0]=2 933 B11R2.10 O=C1Cc2c(N1)cccc2 1P003RGZ [0,0,0,1,0,0|1,0,0]=2 934 B11R2.10 O=C1Cc2c(N1)ccnc2 1P007MBX [0,0,0,1,0,0|2,0,0]=3 935 B11R2.10 O=C1Cc2c(N1)cncc2 1P002Z4A [0,0,0,1,0,0|2,0,0]=3 936 B11R2.10 O=C1Cc2c(N1)cncc2 1P00DCAB [0,0,0,1,0,0|2,0,0]=3 937 B11R2.10 O=C1Cc2c(N1)nccc2 1P00381R [0,0,0,1,0,0|2,0,0]=3 938 B11R2.10 O=C1Cc2c(N1)nccc2 1P00HX1N [0,0,0,1,0,0|2,0,0]=3 939 B11R2.10 O=C1Cc2c(N1)ncnc2 1P00EYLJ [0,0,0,1,0,0|3,0,0]=4 940 B11R2.10 O=C1Cc2c(O1)cccc2 1P00IABW [0,0,0,1,0,0|0,0,0]=1 941 B11R2.10 O=C1N=c2n(C1)cccc2 1P009TUX [0,0,0,1,0,0|2,0,0]=3 942 B11R2.10 O=C1N=c2n(C1)cccc2 1P00DKHZ [0,0,0,1,0,0|2,0,0]=3 943 B11R2.10 O=C1Nc2c(C1)nccc2 1P003834 [0,0,0,1,0,0|2,0,0]=3 944 B11R2.10 O=c1[nH]c2c([nH]1)cccc2 1P00IBCA [0,0,0,1,0,0|2,0,0]=3 945 B11R2.10 O=c1[nH]c2c([nH]1)cccn2 1P001UGG [0,0,0,1,0,0|3,0,0]=4 946 B11R2.10 O=c1[nH]c2c([nH]1)ccnc2 1P00ICXA [0,0,0,1,0,0|3,0,0]=4 947 B11R2.10 O=c1cc2c(o1)cocc2 1P00G5JB [0,0,0,1,0,0|1,0,1]=3 948 B11R2.10 O=c1cc2n([nH]1)cccc2 1P00EIUQ [0,0,0,1,0,0|2,0,1]=4 949 B11R2.10 O=c1oc2c([nH]1)cccn2 1P008Z6E [0,0,0,1,0,0|2,0,0]=3 950 B11R2.10 O=c1oc2c([nH]1)ccnc2 1P00FGZI [0,0,0,1,0,0|2,0,0]=3 951 B11R2.10 O=c1oc2c([nH]1)cncc2 1P01DDQ6 [0,0,0,1,0,0|2,0,0]=3 952 B11R2.10 O=c1oc2c([nH]1)nccc2 1P003TZC [0,0,0,1,0,0|2,0,0]=3 953 B11R2.10 O=c1oc2c(o1)cccc2 1P00BCH5 [0,0,0,1,0,0|1,0,0]=2 954 B11R2.10 O=c1sc2[n+](o1)cccc2 1P003F1T [0,0,0,1,0,0|2,0,0]=3 955 B11R2.10 O=c1sc2c([nH]1)cccc2 1P003HVZ [0,0,0,1,0,0|1,1,0]=3 956 B11R2.10 OC1Cc2c(C1)cccc2 1P00I8P0 [0,0,0,1,0,0|1,0,1]=3 957 B11R2.10 Oc1cc2c([nH]1)cccc2 1P00ALC2 [0,0,0,1,0,0|1,0,1]=3 958 B11R2.10 Oc1cc2c([nH]1)nccc2 1P000SHY [0,0,0,1,0,0|2,0,1]=4 959 B11R2.10 Oc1nc2c(o1)cccc2 1P003H1H [0,0,0,1,0,0|1,0,1]=3 960 B11R2.10 Oc1nc2n(c1)cccc2 1P0092Q6 [0,0,0,1,0,0|2,0,1]=4 961 B11R2.10 S=C1Cc2c(N1)cccc2 1P00DAOH [0,0,0,1,0,0|1,1,0]=3 962 B11R2.10 S=c1oc2c([nH]1)cccn2 1P001Z1Z [0,0,0,1,0,0|2,1,0]=4 963 B11R2.10 S=c1oc2c([nH]1)cncc2 1P00974L [0,0,0,1,0,0|2,1,0]=4 964 B11R2.10 S=c1oc2c([nH]1)nccc2 1P00DEE0 [0,0,0,1,0,0|2,1,0]=4 965 B11R2.10 S=c1sc2c([nH]1)cccc2 1P002QCO [0,0,0,1,0,0|1,2,0]=4 966 B11R2.10 S=c1sc2c([nH]1)cccc2 1P00HYRI [0,0,0,1,0,0|1,2,0]=4 967 B11R2.10 SC1Cc2c(C1)cccc2 1P01ALGM [0,0,0,1,0,0|1,1,1]=4 968 B11R2.10 Sc1nc2c([nH]1)cccc2 1P0033U1 [0,0,0,1,0,0|2,1,0]=4 969 B11R2.10 Sc1nc2c(o1)cccc2 1P003HYZ [0,0,0,1,0,0|1,1,0]=3 970 B11R2.10 Sc1nc2c(o1)cccn2 1P006Z84 [0,0,0,1,0,0|2,1,0]=4 971 B11R2.10 Sc1nc2c(s1)cccc2 1P0033U2 [0,0,0,1,0,0|1,2,0]=4 972 B11R2.59 CC1(N)Cc2c1cccc2 1P01B2EM [0,0,0,1,0,0|2,0,1]=4 973 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,0,1,0,0|2,0,1]=4 974 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [0,0,0,1,0,0|2,0,1]=4 975 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [0,0,0,1,0,0|2,0,1]=4 976 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [0,0,0,1,0,0|1,0,1]=3 977 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [0,0,0,1,0,0|1,0,1]=3 978 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [0,0,0,1,0,0|1,0,1]=3 979 B11R2.238 c1ccc(cc1)C=C2CC2 1P005KLZ [0,0,0,1,0,0|2,0,1]=4 980 B9R1.6 BrC(=C)c1ccccc1 1P003AO1 [0,0,0,0,1,0|2,0,0]=3 981 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [0,0,0,0,1,0|1,0,0]=2 982 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [0,0,0,0,1,0|1,0,0]=2 983 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [0,0,0,0,1,0|3,0,0]=4 984 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [0,0,0,0,1,0|3,0,0]=4 985 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,0,0,0,1,0|1,0,0]=2 986 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,0,0,0,1,0|2,0,0]=3 987 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,0,0,0,1,0|2,0,0]=3 988 B9R1.6 CC(=O)c1cccnn1 1P007UEX [0,0,0,0,1,0|3,0,0]=4 989 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [0,0,0,0,1,0|2,0,0]=3 990 B9R1.6 CC(=O)c1ccncn1 1P00BYH9 [0,0,0,0,1,0|3,0,0]=4 991 B9R1.6 CC(=O)c1ccnnc1 1P006VU7 [0,0,0,0,1,0|3,0,0]=4 992 B9R1.6 CC(=O)c1cnccn1 1P003O4N [0,0,0,0,1,0|3,0,0]=4 993 B9R1.6 CC(=O)c1cncnc1 1P003DIC [0,0,0,0,1,0|3,0,0]=4 994 B9R1.6 CC(=O)c1ncccn1 1P003GS7 [0,0,0,0,1,0|3,0,0]=4 995 B9R1.6 CC(c1ccccc1)Br 1P003BVV [0,0,0,0,1,0|2,0,1]=4 996 B9R1.6 CC(c1ccccc1)C 1P0032S0 [0,0,0,0,1,0|2,0,1]=4 997 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [0,0,0,0,1,0|2,0,1]=4 998 B9R1.6 CC(c1ccccc1)N 1P00369W [0,0,0,0,1,0|2,0,1]=4 999 B9R1.6 CC(c1ccccc1)N 1P009X79 [0,0,0,0,1,0|2,0,1]=4 1000 B9R1.6 CC(c1ccccc1)S 1P003COW [0,0,0,0,1,0|1,1,1]=4 1001 B9R1.6 CC(c1ccccn1)O 1P003F63 [0,0,0,0,1,0|2,0,1]=4 1002 B9R1.6 CC(c1cccnc1)O 1P003IG7 [0,0,0,0,1,0|2,0,1]=4 1003 B9R1.6 CC(c1ccncc1)O 1P002NIX [0,0,0,0,1,0|2,0,1]=4 1004 B9R1.6 CN(c1ccccc1)C 1P003T1K [0,0,0,0,1,0|3,0,0]=4 1005 B9R1.6 CN(c1ccccc1)N 1P003EY0 [0,0,0,0,1,0|3,0,0]=4 1006 B9R1.6 CN(c1ccccc1)N 1P00EKZW [0,0,0,0,1,0|3,0,0]=4 1007 B9R1.6 CP(c1ccccc1)C 1P003Q45 [0,0,0,0,1,0|3,0,0]=4 1008 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [0,0,0,0,1,0|3,0,0]=4 1009 B9R1.6 CS(=O)c1ccccc1 1P000J0D [0,0,0,0,1,0|2,0,0]=3 1010 B9R1.6 CS(=O)c1ccccn1 1P006YWW [0,0,0,0,1,0|3,0,0]=4 1011 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [0,0,0,0,1,0|2,0,1]=4 1012 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [0,0,0,0,1,0|1,0,1]=3 1013 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [0,0,0,0,1,0|1,1,1]=4 1014 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [0,0,0,0,1,0|2,0,1]=4 1015 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [0,0,0,0,1,0|2,0,1]=4 1016 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [0,0,0,0,1,0|2,0,1]=4 1017 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [0,0,0,0,1,0|2,0,1]=4 1018 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [0,0,0,0,1,0|2,0,1]=4 1019 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [0,0,0,0,1,0|1,0,1]=3 1020 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [0,0,0,0,1,0|1,1,1]=4 1021 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [0,0,0,0,1,0|2,0,1]=4 1022 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [0,0,0,0,1,0|2,0,1]=4 1023 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [0,0,0,0,1,0|2,0,1]=4 1024 B9R1.6 C[Si](c1ccccc1)C 1P00358B [0,0,0,0,1,0|2,1,0]=4 1025 B9R1.6 ClB(c1ccccc1)Cl 1P004HX5 [0,0,0,0,1,0|3,0,0]=4 1026 B9R1.6 ClC(=O)c1ccccc1 1P00374M [0,0,0,0,1,0|1,0,0]=2 1027 B9R1.6 ClC(=O)c1ccccn1 1P002ZQS [0,0,0,0,1,0|2,0,0]=3 1028 B9R1.6 ClC(=O)c1ccccn1 1P003UJ3 [0,0,0,0,1,0|2,0,0]=3 1029 B9R1.6 ClC(=O)c1cccnc1 1P0028T1 [0,0,0,0,1,0|2,0,0]=3 1030 B9R1.6 ClC(=O)c1cccnc1 1P008RIG [0,0,0,0,1,0|2,0,0]=3 1031 B9R1.6 ClC(=O)c1ccncc1 1P003RKP [0,0,0,0,1,0|2,0,0]=3 1032 B9R1.6 ClC(=O)c1cnccn1 1P002C00 [0,0,0,0,1,0|3,0,0]=4 1033 B9R1.6 ClC(=O)c1cncnc1 1P00CJ9M [0,0,0,0,1,0|3,0,0]=4 1034 B9R1.6 ClC(=O)c1ncccn1 1P00CGQU [0,0,0,0,1,0|3,0,0]=4 1035 B9R1.6 ClC(=S)c1ccccc1 1P01E7HC [0,0,0,0,1,0|1,1,0]=3 1036 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [0,0,0,0,1,0|2,0,1]=4 1037 B9R1.6 ClP(c1ccccc1)Cl 1P0035XX [0,0,0,0,1,0|3,0,0]=4 1038 B9R1.6 ClS(=O)c1ccccc1 1P00DHD9 [0,0,0,0,1,0|2,0,0]=3 1039 B9R1.6 Cl[I](c1ccccc1)Cl 1P0037A2 [0,0,0,0,1,0|3,0,0]=4 1040 B9R1.6 FC(=C)c1ccccc1 1P005W4Z [0,0,0,0,1,0|2,0,0]=3 1041 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [0,0,0,0,1,0|1,0,0]=2 1042 B9R1.6 FC(c1ccccc1)Br 1P020M24 [0,0,0,0,1,0|2,0,1]=4 1043 B9R1.6 FC(c1ccccc1)F 1P00DCHS [0,0,0,0,1,0|2,0,1]=4 1044 B9R1.6 NC(=N)c1ccccc1 1P002J4G [0,0,0,0,1,0|2,0,0]=3 1045 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [0,0,0,0,1,0|2,0,0]=3 1046 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [0,0,0,0,1,0|2,0,0]=3 1047 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [0,0,0,0,1,0|2,0,0]=3 1048 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [0,0,0,0,1,0|3,0,0]=4 1049 B9R1.6 NC(=N)c1cccnc1 1P002N4J [0,0,0,0,1,0|3,0,0]=4 1050 B9R1.6 NC(=N)c1cccnc1 1P003KCV [0,0,0,0,1,0|3,0,0]=4 1051 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [0,0,0,0,1,0|3,0,0]=4 1052 B9R1.6 NC(=N)c1ccncc1 1P0035IL [0,0,0,0,1,0|3,0,0]=4 1053 B9R1.6 NC(=N)c1ccncc1 1P00EDM3 [0,0,0,0,1,0|3,0,0]=4 1054 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [0,0,0,0,1,0|1,0,0]=2 1055 B9R1.6 NC(=O)c1ccccn1 1P003U8O [0,0,0,0,1,0|2,0,0]=3 1056 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [0,0,0,0,1,0|2,0,0]=3 1057 B9R1.6 NC(=O)c1cccnn1 1P00DL9W [0,0,0,0,1,0|3,0,0]=4 1058 B9R1.6 NC(=O)c1ccncc1 1P001L8G [0,0,0,0,1,0|2,0,0]=3 1059 B9R1.6 NC(=O)c1ccncn1 1P002WFX [0,0,0,0,1,0|3,0,0]=4 1060 B9R1.6 NC(=O)c1ccnnc1 1P00H1KR [0,0,0,0,1,0|3,0,0]=4 1061 B9R1.6 NC(=O)c1cnccn1 1P003UIG [0,0,0,0,1,0|3,0,0]=4 1062 B9R1.6 NC(=O)c1cncnc1 1P00BXU6 [0,0,0,0,1,0|3,0,0]=4 1063 B9R1.6 NC(=O)c1ncccn1 1P00490W [0,0,0,0,1,0|3,0,0]=4 1064 B9R1.6 NC(=S)c1ccccc1 1P00365I [0,0,0,0,1,0|1,1,0]=3 1065 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [0,0,0,0,1,0|2,1,0]=4 1066 B9R1.6 NC(=S)c1cccnc1 1P00I915 [0,0,0,0,1,0|2,1,0]=4 1067 B9R1.6 NC(=S)c1ccncc1 1P003V92 [0,0,0,0,1,0|2,1,0]=4 1068 B9R1.6 NS(=O)c1ccccc1 1P001SKC [0,0,0,0,1,0|2,0,0]=3 1069 B9R1.6 O=N(=O)c1ccccc1 1P003TLR [0,0,0,0,1,0|1,0,1]=3 1070 B9R1.6 OB(c1ccccc1)O 1P0035XS [0,0,0,0,1,0|1,0,1]=3 1071 B9R1.6 OB(c1ccccn1)O 1P002BN5 [0,0,0,0,1,0|2,0,1]=4 1072 B9R1.6 OB(c1cccnc1)O 1P001Z1A [0,0,0,0,1,0|2,0,1]=4 1073 B9R1.6 OB(c1cccnc1)O 1P002U6U [0,0,0,0,1,0|2,0,1]=4 1074 B9R1.6 OB(c1ccncc1)O 1P001Z1D [0,0,0,0,1,0|2,0,1]=4 1075 B9R1.6 OB(c1ccncc1)O 1P006O18 [0,0,0,0,1,0|2,0,1]=4 1076 B9R1.6 OC(=O)c1ccccc1 1P0034YN [0,0,0,0,1,0|0,0,0]=1 1077 B9R1.6 OC(=O)c1ccccc1 1P003U1P [0,0,0,0,1,0|0,0,0]=1 1078 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [0,0,0,0,1,0|0,0,0]=1 1079 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [0,0,0,0,1,0|0,0,0]=1 1080 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [0,0,0,0,1,0|0,0,0]=1 1081 B9R1.6 OC(=O)c1ccccn1 1P0035Y8 [0,0,0,0,1,0|1,0,0]=2 1082 B9R1.6 OC(=O)c1ccccn1 1P003U8P [0,0,0,0,1,0|1,0,0]=2 1083 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [0,0,0,0,1,0|1,0,0]=2 1084 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [0,0,0,0,1,0|1,0,0]=2 1085 B9R1.6 OC(=O)c1cccnn1 1P00BCBL [0,0,0,0,1,0|2,0,0]=3 1086 B9R1.6 OC(=O)c1cccnn1 1P01Z9RM [0,0,0,0,1,0|2,0,0]=3 1087 B9R1.6 OC(=O)c1ccncc1 1P0035IK [0,0,0,0,1,0|1,0,0]=2 1088 B9R1.6 OC(=O)c1ccncn1 1P003UJM [0,0,0,0,1,0|2,0,0]=3 1089 B9R1.6 OC(=O)c1ccnnc1 1P0034LS [0,0,0,0,1,0|2,0,0]=3 1090 B9R1.6 OC(=O)c1cnccn1 1P0033WC [0,0,0,0,1,0|2,0,0]=3 1091 B9R1.6 OC(=O)c1cncnc1 1P003NF7 [0,0,0,0,1,0|2,0,0]=3 1092 B9R1.6 OC(=O)c1ncccn1 1P003UJL [0,0,0,0,1,0|2,0,0]=3 1093 B9R1.6 OC(=O)c1ncccn1 1P01AJVA [0,0,0,0,1,0|2,0,0]=3 1094 B9R1.6 OC(=O)c1nccnn1 1P01DXUR [0,0,0,0,1,0|3,0,0]=4 1095 B9R1.6 OC(=S)c1ccccc1 1P00365J [0,0,0,0,1,0|0,1,0]=2 1096 B9R1.6 OP(=O)c1ccccc1 1P00262L [0,0,0,0,1,0|1,0,0]=2 1097 B9R1.6 OS(=O)c1ccccc1 1P00IBDR [0,0,0,0,1,0|1,0,0]=2 1098 B9R1.6 O[Se](=O)c1ccccc1 1P003OHL [0,0,0,0,1,0|1,0,0]=2 1099 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [0,0,0,0,1,0|0,0,1]=2 1100 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [0,0,0,0,1,0|0,0,1]=2 1101 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [0,0,0,0,1,0|0,0,1]=2 1102 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [0,0,0,0,1,0|0,0,1]=2 1103 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [0,0,0,0,1,0|0,0,1]=2 1104 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [0,0,0,0,1,0|0,0,1]=2 1105 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [0,0,0,0,1,0|0,0,1]=2 1106 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [0,0,0,0,1,0|0,0,1]=2 1107 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [0,0,0,0,1,0|0,0,1]=2 1108 B9R1.6 [O-]C(=O)c1ccccn1 1P001FPK [0,0,0,0,1,0|1,0,1]=3 1109 B9R1.6 [O-]C(=O)c1ccccn1 1P003PCW [0,0,0,0,1,0|1,0,1]=3 1110 B9R1.6 [O-]C(=O)c1ccccn1 1P003U8R [0,0,0,0,1,0|1,0,1]=3 1111 B9R1.6 [O-]C(=O)c1cccnc1 1P003UTW [0,0,0,0,1,0|1,0,1]=3 1112 B9R1.6 [O-]C(=O)c1ccncc1 1P003US2 [0,0,0,0,1,0|1,0,1]=3 1113 B9R1.6 [O-]C(=O)c1ccncn1 1P0055B7 [0,0,0,0,1,0|2,0,1]=4 1114 B9R1.6 [O-]S(=O)c1ccccc1 1P002RKI [0,0,0,0,1,0|1,0,1]=3 1115 B9R1.6 [O-]S(=O)c1ccccc1 1P00388M [0,0,0,0,1,0|1,0,1]=3 1116 B9R1.6 [O-]S(=O)c1ccccc1 1P004L8X [0,0,0,0,1,0|1,0,1]=3 1117 B9R1.6 [O-]S(=O)c1ccccn1 1P00I55G [0,0,0,0,1,0|2,0,1]=4 1118 B9R1.6 [O-]S(=O)c1ccccn1 1P01AGPS [0,0,0,0,1,0|2,0,1]=4 1119 B9R1.6 [O-]S(=O)c1cccnc1 1P00A6VE [0,0,0,0,1,0|2,0,1]=4 1120 B9R1.6 [O-]S(=O)c1cccnc1 1P027XAI [0,0,0,0,1,0|2,0,1]=4 1121 B9R1.6 [O-]S(=O)c1ccncc1 1P01FNTD [0,0,0,0,1,0|2,0,1]=4 1122 B9R1.6 [O-][N+](=O)c1ccccn1 1P001MRG [0,0,0,0,1,0|2,0,1]=4 1123 B9R1.6 [O-][N+](=O)c1cccnc1 1P003KAJ [0,0,0,0,1,0|2,0,1]=4 1124 B9R1.6 [O-][N+](=O)c1ccncc1 1P007C8Z [0,0,0,0,1,0|2,0,1]=4 1125 B9R1.13 CC(=O)Cc1ccco1 1P003BP0 [0,0,0,0,1,0|2,0,0]=3 1126 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [0,0,0,0,1,0|2,0,0]=3 1127 B9R1.13 CC(=O)Cc1ccno1 1P009V9M [0,0,0,0,1,0|3,0,0]=4 1128 B9R1.13 CC(=O)Cc1cocc1 1P01BBKY [0,0,0,0,1,0|2,0,0]=3 1129 B9R1.13 CC(=O)Cc1cscc1 1P00EDS1 [0,0,0,0,1,0|2,0,0]=3 1130 B9R1.13 CC(=O)Cn1cccn1 1P00ECG4 [0,0,0,0,1,0|3,0,0]=4 1131 B9R1.13 CC(=O)Cn1cccn1 1P00J285 [0,0,0,0,1,0|3,0,0]=4 1132 B9R1.13 CC(=O)Nc1cccs1 1P000V1D [0,0,0,0,1,0|3,0,0]=4 1133 B9R1.13 CC(=O)Nc1cscc1 1P003SRX [0,0,0,0,1,0|3,0,0]=4 1134 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,0,0,0,1,0|2,0,1]=4 1135 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [0,0,0,0,1,0|2,0,1]=4 1136 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [0,0,0,0,1,0|2,0,1]=4 1137 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [0,0,0,0,1,0|2,0,1]=4 1138 B9R1.13 ClC(=O)Cc1cccs1 1P003IEV [0,0,0,0,1,0|2,0,0]=3 1139 B9R1.13 ClC(=O)Cc1cscc1 1P0014CA [0,0,0,0,1,0|2,0,0]=3 1140 B9R1.13 ClC(=O)Cc1cscn1 1P028XB8 [0,0,0,0,1,0|3,0,0]=4 1141 B9R1.13 ClC(=O)Cn1cccn1 1P0289G1 [0,0,0,0,1,0|3,0,0]=4 1142 B9R1.13 NC(=N)Cc1cccs1 1P00EH2I [0,0,0,0,1,0|3,0,0]=4 1143 B9R1.13 NC(=N)Cc1cscc1 1P01AAMS [0,0,0,0,1,0|3,0,0]=4 1144 B9R1.13 NC(=O)Cc1ccc[nH]1 1P00IG80 [0,0,0,0,1,0|2,0,0]=3 1145 B9R1.13 NC(=O)Cc1cccs1 1P003V97 [0,0,0,0,1,0|2,0,0]=3 1146 B9R1.13 NC(=O)Cc1cnc[nH]1 1P028C2D [0,0,0,0,1,0|3,0,0]=4 1147 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [0,0,0,0,1,0|2,0,0]=3 1148 B9R1.13 NC(=O)Cn1cccn1 1P007T21 [0,0,0,0,1,0|3,0,0]=4 1149 B9R1.13 OC(=O)CC1=CCCC1 1P007Q6E [0,0,0,0,1,0|0,0,3]=4 1150 B9R1.13 OC(=O)CC1CC=CC1 1P005IZY [0,0,0,0,1,0|0,0,3]=4 1151 B9R1.13 OC(=O)CC1CCC=C1 1P0012OZ [0,0,0,0,1,0|0,0,3]=4 1152 B9R1.13 OC(=O)CN1CC=CC1 1P028EA3 [0,0,0,0,1,0|1,0,2]=4 1153 B9R1.13 OC(=O)C[C-]1C=CC=C1 1P000YSM [0,0,0,0,1,0|0,0,1]=2 1154 B9R1.13 OC(=O)Cc1c[nH]cc1 1P004ORH [0,0,0,0,1,0|1,0,0]=2 1155 B9R1.13 OC(=O)Cc1c[nH]cn1 1P0036HP [0,0,0,0,1,0|2,0,0]=3 1156 B9R1.13 OC(=O)Cc1c[nH]nc1 1P00H3LO [0,0,0,0,1,0|2,0,0]=3 1157 B9R1.13 OC(=O)Cc1c[nH]nc1 1P01EKNO [0,0,0,0,1,0|2,0,0]=3 1158 B9R1.13 OC(=O)Cc1cc[nH]n1 1P0008PW [0,0,0,0,1,0|2,0,0]=3 1159 B9R1.13 OC(=O)Cc1cc[nH]n1 1P008U4I [0,0,0,0,1,0|2,0,0]=3 1160 B9R1.13 OC(=O)Cc1ccc[nH]1 1P003UJS [0,0,0,0,1,0|1,0,0]=2 1161 B9R1.13 OC(=O)Cc1ccco1 1P0038KQ [0,0,0,0,1,0|1,0,0]=2 1162 B9R1.13 OC(=O)Cc1cccs1 1P002FXX [0,0,0,0,1,0|1,0,0]=2 1163 B9R1.13 OC(=O)Cc1ccno1 1P01DFCS [0,0,0,0,1,0|2,0,0]=3 1164 B9R1.13 OC(=O)Cc1ccon1 1P00ELO9 [0,0,0,0,1,0|2,0,0]=3 1165 B9R1.13 OC(=O)Cc1ccsn1 1P0008NI [0,0,0,0,1,0|2,0,0]=3 1166 B9R1.13 OC(=O)Cc1cnc[nH]1 1P00BYPQ [0,0,0,0,1,0|2,0,0]=3 1167 B9R1.13 OC(=O)Cc1cnco1 1P01DFCI [0,0,0,0,1,0|2,0,0]=3 1168 B9R1.13 OC(=O)Cc1cncs1 1P00DGD7 [0,0,0,0,1,0|2,0,0]=3 1169 B9R1.13 OC(=O)Cc1cnns1 1P028OEA [0,0,0,0,1,0|3,0,0]=4 1170 B9R1.13 OC(=O)Cc1cnsn1 1P028TAA [0,0,0,0,1,0|3,0,0]=4 1171 B9R1.13 OC(=O)Cc1cocc1 1P000LCB [0,0,0,0,1,0|1,0,0]=2 1172 B9R1.13 OC(=O)Cc1cocn1 1P028NDU [0,0,0,0,1,0|2,0,0]=3 1173 B9R1.13 OC(=O)Cc1cscc1 1P003FLQ [0,0,0,0,1,0|1,0,0]=2 1174 B9R1.13 OC(=O)Cc1cscn1 1P0033BL [0,0,0,0,1,0|2,0,0]=3 1175 B9R1.13 OC(=O)Cc1csnc1 1P0008NH [0,0,0,0,1,0|2,0,0]=3 1176 B9R1.13 OC(=O)Cc1csnn1 1P01B5W0 [0,0,0,0,1,0|3,0,0]=4 1177 B9R1.13 OC(=O)Cc1n[nH]cn1 1P00B9EC [0,0,0,0,1,0|3,0,0]=4 1178 B9R1.13 OC(=O)Cc1ncc[nH]1 1P01ALWQ [0,0,0,0,1,0|2,0,0]=3 1179 B9R1.13 OC(=O)Cc1nccs1 1P002I1D [0,0,0,0,1,0|2,0,0]=3 1180 B9R1.13 OC(=O)Cc1nscn1 1P0289V2 [0,0,0,0,1,0|3,0,0]=4 1181 B9R1.13 OC(=O)Cn1cccc1 1P002FVW [0,0,0,0,1,0|1,0,0]=2 1182 B9R1.13 OC(=O)Cn1cccn1 1P001SBI [0,0,0,0,1,0|2,0,0]=3 1183 B9R1.13 OC(=O)Cn1ccnn1 1P00DACK [0,0,0,0,1,0|3,0,0]=4 1184 B9R1.13 OC(=O)Cn1cncc1 1P002LT7 [0,0,0,0,1,0|2,0,0]=3 1185 B9R1.13 OC(=O)Cn1cncc1 1P004QDL [0,0,0,0,1,0|2,0,0]=3 1186 B9R1.13 OC(=O)Cn1cncn1 1P002WNR [0,0,0,0,1,0|3,0,0]=4 1187 B9R1.13 OC(=O)Cn1cncn1 1P01DOIU [0,0,0,0,1,0|3,0,0]=4 1188 B9R1.13 OC(=O)Cn1cnnc1 1P008W15 [0,0,0,0,1,0|3,0,0]=4 1189 B9R1.13 OC(=O)Cn1nccn1 1P0074SX [0,0,0,0,1,0|3,0,0]=4 1190 B9R1.13 OC(=S)Cc1cscn1 1P0068O0 [0,0,0,0,1,0|2,1,0]=4 1191 B9R1.13 [O-]C(=O)Cc1c[nH]cn1 1P00EGHK [0,0,0,0,1,0|2,0,1]=4 1192 B9R1.13 [O-]C(=O)Cc1cnco1 1P028Q41 [0,0,0,0,1,0|2,0,1]=4 1193 B9R1.13 [O-]C(=O)Cc1ncco1 1P028O5K [0,0,0,0,1,0|2,0,1]=4 1194 B9R1.13 [O-]C(=O)Cc1nccs1 1P019UGE [0,0,0,0,1,0|2,0,1]=4 1195 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,0,0,0,0,1|2,0,0]=3 1196 B11R1.91 CC(=C)COc1cccnc1 1P01BVZD [0,0,0,0,0,1|3,0,0]=4 1197 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,0,0,0,0,1|2,0,0]=3 1198 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,0,1|2,0,0]=3 1199 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,0,0,0,0,1|1,0,1]=3 1200 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,0,1|1,0,1]=3 1201 B11R1.91 CC(=O)C=Cc1ccccn1 1P01BF2A [0,0,0,0,0,1|2,0,1]=4 1202 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,0,0,0,0,1|1,0,0]=2 1203 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,0,0,0,0,1|2,0,0]=3 1204 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,0,0,0,0,1|2,0,0]=3 1205 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,0,0,0,0,1|2,0,0]=3 1206 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,0,0,0,0,1|1,0,0]=2 1207 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,0,0,0,0,1|1,0,0]=2 1208 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,0,1|1,0,0]=2 1209 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,0,0,0,0,1|2,0,0]=3 1210 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,0,0,0,0,1|2,0,0]=3 1211 B11R1.91 CC(=O)NCc1cccnn1 1P01BW9E [0,0,0,0,0,1|3,0,0]=4 1212 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,0,1|2,0,0]=3 1213 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,0,0,0,0,1|1,0,0]=2 1214 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,0,0,0,0,1|2,0,0]=3 1215 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,0,0,0,0,1|2,0,0]=3 1216 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,0,0,0,0,1|1,0,0]=2 1217 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,0,1|1,0,1]=3 1218 B11R1.91 CC(C#Cc1ccccc1)O 1P00IAWU [0,0,0,0,0,1|1,0,2]=4 1219 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,0,0,0,0,1|2,0,1]=4 1220 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,0,0,0,0,1|2,0,1]=4 1221 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,0,0,0,0,1|1,0,1]=3 1222 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,0,0,0,0,1|2,0,1]=4 1223 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,0,0,0,0,1|2,0,1]=4 1224 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,0,0,0,0,1|2,0,1]=4 1225 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,0,0,0,0,1|1,0,1]=3 1226 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,0,0,0,0,1|2,0,1]=4 1227 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,0,0,0,0,1|2,0,1]=4 1228 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,0,0,0,0,1|2,0,1]=4 1229 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,0,0,0,0,1|1,0,1]=3 1230 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,0,0,0,0,1|2,0,1]=4 1231 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,0,0,0,0,1|2,0,1]=4 1232 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,0,0,0,0,1|2,0,1]=4 1233 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,0,0,0,0,1|2,0,1]=4 1234 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,0,0,0,0,1|3,0,0]=4 1235 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,0,0,0,0,1|3,0,0]=4 1236 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [0,0,0,0,0,1|3,0,0]=4 1237 B11R1.91 C[C@@H](C=Cc1ccccc1)O 1P005S8J [0,0,0,0,0,1|1,0,2]=4 1238 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,0,0,0,0,1|1,0,1]=3 1239 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,0,0,0,0,1|2,0,1]=4 1240 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,0,0,0,0,1|2,0,1]=4 1241 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,0,0,0,0,1|1,0,1]=3 1242 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,0,0,0,0,1|2,0,1]=4 1243 B11R1.91 C[C@H](\C=C\c1ccccc1)O 1P01J4Q9 [0,0,0,0,0,1|1,0,2]=4 1244 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,0,0,0,0,1|2,0,0]=3 1245 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [0,0,0,0,0,1|1,0,1]=3 1246 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,0,0,0,0,1|1,0,0]=2 1247 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,0,0,0,0,1|1,0,0]=2 1248 B11R1.91 ClC(=O)CSc1ccncc1 1P00I5MB [0,0,0,0,0,1|2,0,0]=3 1249 B11R1.91 ClC(=O)OCc1cccnc1 1P01DWJE [0,0,0,0,0,1|2,0,0]=3 1250 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [0,0,0,0,0,1|1,0,1]=3 1251 B11R1.91 FC(CNc1ccccc1)F 1P019UDQ [0,0,0,0,0,1|2,0,1]=4 1252 B11R1.91 FC(CNc1ccccc1)F 1P01AESB [0,0,0,0,0,1|2,0,1]=4 1253 B11R1.91 FC(SCc1ccccc1)F 1P005MTU [0,0,0,0,0,1|2,0,1]=4 1254 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,0,1|2,0,0]=3 1255 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,0,1|2,0,0]=3 1256 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,0,1|2,0,0]=3 1257 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,0,1|2,0,0]=3 1258 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,0,1|2,0,0]=3 1259 B11R1.91 NC(=N)NCc1cccnc1 1P00J1YL [0,0,0,0,0,1|3,0,0]=4 1260 B11R1.91 NC(=N)NCc1ccncc1 1P00BIK2 [0,0,0,0,0,1|3,0,0]=4 1261 B11R1.91 NC(=N)NCc1ccncc1 1P01BRLV [0,0,0,0,0,1|3,0,0]=4 1262 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,0,1|2,0,0]=3 1263 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,0,1|2,0,0]=3 1264 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,0,1|2,0,0]=3 1265 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,0,1|1,0,1]=3 1266 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,0,1|1,0,1]=3 1267 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,0,1|1,0,0]=2 1268 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,0,0,0,0,1|2,0,0]=3 1269 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,0,0,0,0,1|2,0,0]=3 1270 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,0,1|1,0,0]=2 1271 B11R1.91 NC(=O)CNc1cnccn1 1P0280M7 [0,0,0,0,0,1|3,0,0]=4 1272 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,0,1|1,0,0]=2 1273 B11R1.91 NC(=O)COc1cccnc1 1P01A97N [0,0,0,0,0,1|2,0,0]=3 1274 B11R1.91 NC(=O)COc1ncccn1 1P028PLJ [0,0,0,0,0,1|3,0,0]=4 1275 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,0,1|1,0,0]=2 1276 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,0,1|1,0,0]=2 1277 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,0,1|2,0,0]=3 1278 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,0,1|2,0,0]=3 1279 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,0,1|2,0,0]=3 1280 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,0,1|2,0,0]=3 1281 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,0,1|1,0,0]=2 1282 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,0,1|1,0,1]=3 1283 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,0,1|1,0,1]=3 1284 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,0,1|1,1,0]=3 1285 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,0,1|1,1,0]=3 1286 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,0,1|1,1,0]=3 1287 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,0,1|1,1,0]=3 1288 B11R1.91 NC(=S)NNc1ccccc1 1P003F2X [0,0,0,0,0,1|2,1,0]=4 1289 B11R1.91 OB(C=Cc1ccccc1)O 1P00DHOQ [0,0,0,0,0,1|1,0,2]=4 1290 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,0,0,0,0,1|1,0,1]=3 1291 B11R1.91 OB(CSc1ccccn1)O 1P000OIH [0,0,0,0,0,1|2,0,1]=4 1292 B11R1.91 OB(\C=C\c1ccccc1)O 1P0035A2 [0,0,0,0,0,1|1,0,2]=4 1293 B11R1.91 OC(=O)C#Cc1ccccc1 1P003U6Q [0,0,0,0,0,1|0,0,1]=2 1294 B11R1.91 OC(=O)C#Cc1ccccn1 1P00IE9J [0,0,0,0,0,1|1,0,1]=3 1295 B11R1.91 OC(=O)C#Cc1cccnc1 1P00EIWZ [0,0,0,0,0,1|1,0,1]=3 1296 B11R1.91 OC(=O)C#Cc1ccncc1 1P003IM3 [0,0,0,0,0,1|1,0,1]=3 1297 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [0,0,0,0,0,1|0,0,1]=2 1298 B11R1.91 OC(=O)C=Cc1ccccn1 1P019V8F [0,0,0,0,0,1|1,0,1]=3 1299 B11R1.91 OC(=O)C=Cc1cccnc1 1P00IL06 [0,0,0,0,0,1|1,0,1]=3 1300 B11R1.91 OC(=O)C=Cc1ccncc1 1P003VDO [0,0,0,0,0,1|1,0,1]=3 1301 B11R1.91 OC(=O)C=Cc1ccncn1 1P01A52O [0,0,0,0,0,1|2,0,1]=4 1302 B11R1.91 OC(=O)C=Cc1ncccn1 1P00CI51 [0,0,0,0,0,1|2,0,1]=4 1303 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,0,0,0,0,1|0,0,0]=1 1304 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [0,0,0,0,0,1|1,0,0]=2 1305 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [0,0,0,0,0,1|1,0,0]=2 1306 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [0,0,0,0,0,1|1,0,0]=2 1307 B11R1.91 OC(=O)CCc1cccnn1 1P00ILVC [0,0,0,0,0,1|2,0,0]=3 1308 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [0,0,0,0,0,1|1,0,0]=2 1309 B11R1.91 OC(=O)CCc1ccncn1 1P0055B8 [0,0,0,0,0,1|2,0,0]=3 1310 B11R1.91 OC(=O)CCc1cnccn1 1P00FDK0 [0,0,0,0,0,1|2,0,0]=3 1311 B11R1.91 OC(=O)CCc1cnccn1 1P028581 [0,0,0,0,0,1|2,0,0]=3 1312 B11R1.91 OC(=O)CCc1cncnc1 1P00II0L [0,0,0,0,0,1|2,0,0]=3 1313 B11R1.91 OC(=O)CCc1ncccn1 1P00DEA5 [0,0,0,0,0,1|2,0,0]=3 1314 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,0,0,0,0,1|0,0,0]=1 1315 B11R1.91 OC(=O)CNc1ccccn1 1P00DG3D [0,0,0,0,0,1|1,0,0]=2 1316 B11R1.91 OC(=O)CNc1ccccn1 1P00HCVK [0,0,0,0,0,1|1,0,0]=2 1317 B11R1.91 OC(=O)CNc1cccnc1 1P00CILN [0,0,0,0,0,1|1,0,0]=2 1318 B11R1.91 OC(=O)CNc1cccnc1 1P01DX0R [0,0,0,0,0,1|1,0,0]=2 1319 B11R1.91 OC(=O)CNc1ccncc1 1P00DLDX [0,0,0,0,0,1|1,0,0]=2 1320 B11R1.91 OC(=O)CNc1ccncc1 1P00FUIP [0,0,0,0,0,1|1,0,0]=2 1321 B11R1.91 OC(=O)CNc1cnccn1 1P01DTVX [0,0,0,0,0,1|2,0,0]=3 1322 B11R1.91 OC(=O)CNc1ncccn1 1P005GCW [0,0,0,0,0,1|2,0,0]=3 1323 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,0,0,0,0,1|0,0,0]=1 1324 B11R1.91 OC(=O)COc1ccccn1 1P00IAV5 [0,0,0,0,0,1|1,0,0]=2 1325 B11R1.91 OC(=O)COc1ccccn1 1P01JV0E [0,0,0,0,0,1|1,0,0]=2 1326 B11R1.91 OC(=O)COc1cccnc1 1P004LEB [0,0,0,0,0,1|1,0,0]=2 1327 B11R1.91 OC(=O)COc1cccnc1 1P00DK7D [0,0,0,0,0,1|1,0,0]=2 1328 B11R1.91 OC(=O)COc1ccncc1 1P00IAV4 [0,0,0,0,0,1|1,0,0]=2 1329 B11R1.91 OC(=O)COc1ccncn1 1P028E5L [0,0,0,0,0,1|2,0,0]=3 1330 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,0,0,0,0,1|0,0,0]=1 1331 B11R1.91 OC(=O)CSc1ccccn1 1P0000S4 [0,0,0,0,0,1|1,0,0]=2 1332 B11R1.91 OC(=O)CSc1ccncc1 1P003CDE [0,0,0,0,0,1|1,0,0]=2 1333 B11R1.91 OC(=O)CSc1ncccn1 1P003C4M [0,0,0,0,0,1|2,0,0]=3 1334 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [0,0,0,0,0,1|0,0,1]=2 1335 B11R1.91 OC(=O)\C=C\c1ccccn1 1P0033WY [0,0,0,0,0,1|1,0,1]=3 1336 B11R1.91 OC(=O)\C=C\c1cccnc1 1P003CH8 [0,0,0,0,0,1|1,0,1]=3 1337 B11R1.91 OC(=O)\C=C\c1ccncc1 1P00I9ZU [0,0,0,0,0,1|1,0,1]=3 1338 B11R1.91 OC(=O)\C=C\c1ccnnc1 1P006VU5 [0,0,0,0,0,1|2,0,1]=4 1339 B11R1.91 OC(=O)\C=C\c1cnccn1 1P000L6S [0,0,0,0,0,1|2,0,1]=4 1340 B11R1.91 OC(=O)\C=C\c1cncnc1 1P009Z25 [0,0,0,0,0,1|2,0,1]=4 1341 B11R1.91 OS(=O)\C=C\c1ccccc1 1P01C8KK [0,0,0,0,0,1|1,0,1]=3 1342 B11R1.91 [O-]C(=O)C#Cc1ccccn1 1P0287XF [0,0,0,0,0,1|1,0,2]=4 1343 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [0,0,0,0,0,1|0,0,2]=3 1344 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,0,0,0,0,1|0,0,1]=2 1345 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,0,0,0,0,1|0,0,1]=2 1346 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,0,0,0,0,1|0,0,1]=2 1347 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,0,0,0,0,1|0,0,1]=2 1348 B11R1.91 [O-]C(=O)COc1ccccn1 1P01EKJX [0,0,0,0,0,1|1,0,1]=3 1349 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [0,0,0,0,0,1|0,0,2]=3 1350 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,0,0,0,0,1|1,0,1]=3 1351 B11R1.91 [O-][N+](=O)C=Cc1ccccc1 1P0006PU [0,0,0,0,0,1|1,0,2]=4 1352 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,0,0,0,0,1|1,0,1]=3 1353 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 1P00DEKI [0,0,0,0,0,1|1,0,2]=4 1354 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,0,1|0,2,0]=3 1355 B8R0.7 CC\C=C\C=C\C(=O)O 1P028PCP [1,0,1,0,0,0|0,0,2]=4 1356 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [1,0,1,0,0,0|1,0,1]=4 1357 B8R1.2 BrCc1ccccc1 1P0000N4 [2,0,0,0,0,0|1,0,0]=3 1358 B8R1.2 BrCc1ccccn1 1P00BC33 [2,0,0,0,0,0|2,0,0]=4 1359 B8R1.2 BrCc1cccnc1 1P0033XF [2,0,0,0,0,0|2,0,0]=4 1360 B8R1.2 BrCc1ccncc1 1P00349W [2,0,0,0,0,0|2,0,0]=4 1361 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [2,0,0,0,0,0|2,0,0]=4 1362 B8R1.2 Br[Se]c1ccccc1 1P00399Q [2,0,0,0,0,0|2,0,0]=4 1363 B8R1.2 C#Cc1ccccc1 1P0037R1 [2,0,0,0,0,0|0,0,2]=4 1364 B8R1.2 C=C[n+]1ccccc1 1P01EWMV [2,0,0,0,0,0|1,0,1]=4 1365 B8R1.2 C=Cc1ccccc1 1P0000N1 [2,0,0,0,0,0|0,0,1]=3 1366 B8R1.2 C=Cc1ccccc1 1P00C4A8 [2,0,0,0,0,0|0,0,1]=3 1367 B8R1.2 C=Cc1cccnc1 1P003491 [2,0,0,0,0,0|1,0,1]=4 1368 B8R1.2 C=Cc1ccncc1 1P0000N0 [2,0,0,0,0,0|1,0,1]=4 1369 B8R1.2 CC[n+]1ccccc1 1P002F4L [2,0,0,0,0,0|1,0,1]=4 1370 B8R1.2 CC[n+]1ccccc1 1P002M2C [2,0,0,0,0,0|1,0,1]=4 1371 B8R1.2 CC[n+]1ccccc1 1P00CL4T [2,0,0,0,0,0|1,0,1]=4 1372 B8R1.2 CCc1ccccc1 1P0000N2 [2,0,0,0,0,0|0,0,1]=3 1373 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,1]=4 1374 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,1]=4 1375 B8R1.2 CCc1ccncc1 1P003LT3 [2,0,0,0,0,0|1,0,1]=4 1376 B8R1.2 CNc1ccccc1 1P0000NT [2,0,0,0,0,0|1,0,1]=4 1377 B8R1.2 CNc1ccccc1 1P003TNS [2,0,0,0,0,0|1,0,1]=4 1378 B8R1.2 COc1ccccc1 1P0000NO [2,0,0,0,0,0|1,0,1]=4 1379 B8R1.2 CSc1ccccc1 1P0000NM [2,0,0,0,0,0|1,0,1]=4 1380 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [2,0,0,0,0,0|0,1,1]=4 1381 B8R1.2 ClCc1ccccn1 1P0033BZ [2,0,0,0,0,0|2,0,0]=4 1382 B8R1.2 ClCc1ccccn1 1P0073L5 [2,0,0,0,0,0|2,0,0]=4 1383 B8R1.2 ClCc1cccnc1 1P005WS5 [2,0,0,0,0,0|2,0,0]=4 1384 B8R1.2 ClCc1ccncc1 1P0023Y0 [2,0,0,0,0,0|2,0,0]=4 1385 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [2,0,0,0,0,0|2,0,0]=4 1386 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [2,0,0,0,0,0|2,0,0]=4 1387 B8R1.2 FCc1cccnc1 1P004R6V [2,0,0,0,0,0|2,0,0]=4 1388 B8R1.2 FCc1ccncc1 1P004SSU [2,0,0,0,0,0|2,0,0]=4 1389 B8R1.2 ICc1ccccc1 1P0037QF [2,0,0,0,0,0|1,0,0]=3 1390 B8R1.2 ICc1cccnc1 1P005TG6 [2,0,0,0,0,0|2,0,0]=4 1391 B8R1.2 ICc1ccncc1 1P001AK8 [2,0,0,0,0,0|2,0,0]=4 1392 B8R1.2 N#Cc1ccccc1 1P0000MW [2,0,0,0,0,0|1,0,1]=4 1393 B8R1.2 N#Cc1ccccc1 1P001LN2 [2,0,0,0,0,0|1,0,1]=4 1394 B8R1.2 N#Cc1ccccc1 1P003OQS [2,0,0,0,0,0|1,0,1]=4 1395 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [2,0,0,0,0,0|2,0,0]=4 1396 B8R1.2 NCc1ccccc1 1P0000MX [2,0,0,0,0,0|1,0,0]=3 1397 B8R1.2 NCc1ccccc1 1P003OLG [2,0,0,0,0,0|1,0,0]=3 1398 B8R1.2 NCc1ccccc1 1P00BYUK [2,0,0,0,0,0|1,0,0]=3 1399 B8R1.2 NCc1ccccc1 1P00DH5Y [2,0,0,0,0,0|1,0,0]=3 1400 B8R1.2 NCc1ccccn1 1P003IDS [2,0,0,0,0,0|2,0,0]=4 1401 B8R1.2 NCc1cccnc1 1P003UIR [2,0,0,0,0,0|2,0,0]=4 1402 B8R1.2 NCc1cccnc1 1P01XEWA [2,0,0,0,0,0|2,0,0]=4 1403 B8R1.2 NCc1ccncc1 1P0034LV [2,0,0,0,0,0|2,0,0]=4 1404 B8R1.2 NCc1ccncc1 1P00ED63 [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.2 NNc1ccccc1 1P0000NR [2,0,0,0,0,0|2,0,0]=4 1406 B8R1.2 NNc1ccccc1 1P0035XW [2,0,0,0,0,0|2,0,0]=4 1407 B8R1.2 NNc1ccccc1 1P003U6F [2,0,0,0,0,0|2,0,0]=4 1408 B8R1.2 NOc1ccccc1 1P0037K5 [2,0,0,0,0,0|2,0,0]=4 1409 B8R1.2 O=Cc1ccccn1 1P0033WE [2,0,0,0,0,0|1,0,0]=3 1410 B8R1.2 O=Cc1cccnc1 1P00348S [2,0,0,0,0,0|1,0,0]=3 1411 B8R1.2 O=Cc1cccnn1 1P00EGBR [2,0,0,0,0,0|2,0,0]=4 1412 B8R1.2 O=Cc1ccncc1 1P0034LU [2,0,0,0,0,0|1,0,0]=3 1413 B8R1.2 O=Cc1ccncc1 1P003MH5 [2,0,0,0,0,0|1,0,0]=3 1414 B8R1.2 O=Cc1ccncn1 1P00360K [2,0,0,0,0,0|2,0,0]=4 1415 B8R1.2 O=Cc1ccnnc1 1P0037UD [2,0,0,0,0,0|2,0,0]=4 1416 B8R1.2 O=Cc1cnccn1 1P003937 [2,0,0,0,0,0|2,0,0]=4 1417 B8R1.2 O=Cc1cncnc1 1P00034V [2,0,0,0,0,0|2,0,0]=4 1418 B8R1.2 O=Cc1ncccn1 1P003A3I [2,0,0,0,0,0|2,0,0]=4 1419 B8R1.2 O=Nc1ccccc1 1P003AHD [2,0,0,0,0,0|1,0,0]=3 1420 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [2,0,0,0,0,0|2,0,0]=4 1421 B8R1.2 O=[As]c1ccccc1 1P003U68 [2,0,0,0,0,0|1,0,0]=3 1422 B8R1.2 O=[I]c1ccccc1 1P0037R0 [2,0,0,0,0,0|1,0,0]=3 1423 B8R1.2 OCc1ccccc1 1P0000MS [2,0,0,0,0,0|0,0,0]=2 1424 B8R1.2 OCc1ccccn1 1P003UIQ [2,0,0,0,0,0|1,0,0]=3 1425 B8R1.2 OCc1cccnc1 1P0000NZ [2,0,0,0,0,0|1,0,0]=3 1426 B8R1.2 OCc1cccnn1 1P0037RV [2,0,0,0,0,0|2,0,0]=4 1427 B8R1.2 OCc1ccncc1 1P0034J2 [2,0,0,0,0,0|1,0,0]=3 1428 B8R1.2 OCc1ccncc1 1P00IBZH [2,0,0,0,0,0|1,0,0]=3 1429 B8R1.2 OCc1ccncn1 1P00BXTK [2,0,0,0,0,0|2,0,0]=4 1430 B8R1.2 OCc1ccnnc1 1P00DBTI [2,0,0,0,0,0|2,0,0]=4 1431 B8R1.2 OCc1cnccn1 1P0033WD [2,0,0,0,0,0|2,0,0]=4 1432 B8R1.2 OCc1cncnc1 1P002RAL [2,0,0,0,0,0|2,0,0]=4 1433 B8R1.2 OCc1cncnc1 1P028QCV [2,0,0,0,0,0|2,0,0]=4 1434 B8R1.2 OCc1ncccn1 1P003FJF [2,0,0,0,0,0|2,0,0]=4 1435 B8R1.2 ONc1ccccc1 1P0000NP [2,0,0,0,0,0|1,0,0]=3 1436 B8R1.2 ONc1ccccc1 1P00G4MK [2,0,0,0,0,0|1,0,0]=3 1437 B8R1.2 SCc1ccccc1 1P0000O1 [2,0,0,0,0,0|0,1,0]=3 1438 B8R1.2 SCc1ccccn1 1P0029Y2 [2,0,0,0,0,0|1,1,0]=4 1439 B8R1.2 SCc1cccnc1 1P0024X6 [2,0,0,0,0,0|1,1,0]=4 1440 B8R1.2 SCc1ccncc1 1P0023XZ [2,0,0,0,0,0|1,1,0]=4 1441 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [2,0,0,0,0,0|1,0,1]=4 1442 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [2,0,0,0,0,0|1,0,0]=3 1443 B10R1.1 BrC=Cc1ccc(cc1)Cl 1P000O61 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.1 Br\C=C/c1ccc(cc1)Cl 1P01IUMD [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.1 Br\C=C/c1ccc(cc1)F 1P0284V9 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.1 Brc1ccc(cc1)C[N+]#[C-] 1P00EDQC [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.1 C#CCc1ccc(cc1)Cl 1P00FHLJ [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.1 C#CCc1ccc(cc1)O 1P01XIKJ [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.1 C=CCc1ccc(cc1)Cl 1P00206A [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.1 C=CCc1ccc(cc1)F 1P001ZL7 [1,1,0,0,0,0|1,0,0]=3 1458 B10R1.1 C=CCc1ccc(cc1)O 1P00395J [1,1,0,0,0,0|1,0,0]=3 1459 B10R1.1 C=COc1ccc(cc1)Br 1P0091XP [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.1 CC=Cc1ccc(cc1)N 1P01BBOQ [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [1,1,0,0,0,0|1,0,1]=4 1465 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.1 CNCc1ccc(cc1)C 1P003TON [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.1 COCc1ccc(cc1)I 1P00H370 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.1 COCc1ccc(cc1)N 1P003KPL [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.1 COCc1ccc(cc1)S 1P019TSN [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.1 C\C=C\c1ccc(cc1)Br 1P0039M8 [1,1,0,0,0,0|1,0,1]=4 1491 B10R1.1 C\C=C\c1ccc(cc1)O 1P0286KE [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.1 Cc1ccc(cc1)C[N+]#[C-] 1P00BZ37 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [1,1,0,0,0,0|1,0,1]=4 1496 B10R1.1 Clc1ccc(cc1)C[N+]#[C-] 1P00BZ4O [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [1,1,0,0,0,0|1,0,1]=4 1498 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [1,1,0,0,0,0|1,0,1]=4 1499 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [1,1,0,0,0,0|1,0,1]=4 1500 B10R1.1 Fc1ccc(cc1)C[N+]#[C-] 1P001LQ3 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [1,1,0,0,0,0|1,0,1]=4 1502 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.1 N#CCc1ccc(cc1)Br 1P001WJT [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.1 N#CCc1ccc(cc1)C 1P002YYR [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.1 N#CCc1ccc(cc1)Cl 1P001CE6 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.1 N#CCc1ccc(cc1)F 1P003LWQ [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.1 N#CCc1ccc(cc1)I 1P003M1K [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.1 N#CCc1ccc(cc1)N 1P003L7Q [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.1 N#CCc1ccc(cc1)O 1P001HTW [1,1,0,0,0,0|1,0,1]=4 1510 B10R1.1 N#CCc1ccc(cc1)S 1P027XUJ [1,1,0,0,0,0|1,0,1]=4 1511 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [1,1,0,0,0,0|1,0,1]=4 1512 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [1,1,0,0,0,0|1,0,1]=4 1514 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [1,1,0,0,0,0|1,0,1]=4 1519 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [1,1,0,0,0,0|1,0,1]=4 1522 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [1,1,0,0,0,0|1,0,1]=4 1524 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [1,1,0,0,0,0|1,0,1]=4 1525 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [1,1,0,0,0,0|1,0,1]=4 1526 B10R1.1 NNCc1ccc(cc1)Br 1P00I01Q [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.1 NNCc1ccc(cc1)Br 1P01KLR6 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.1 NNCc1ccc(cc1)Cl 1P00914B [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.1 NNCc1ccc(cc1)Cl 1P00G558 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.1 NNCc1ccc(cc1)Cl 1P00J1XO [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.1 NNCc1ccc(cc1)F 1P0001BU [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.1 NNCc1ccc(cc1)F 1P008ZIB [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.1 NNCc1ccc(cc1)I 1P01XD1O [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.1 NNCc1ccc(cc1)O 1P028XZA [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.1 O=C=Nc1ccc(cc1)Br 1P002QE0 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.1 O=C=Nc1ccc(cc1)C 1P003UI3 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.1 O=C=Nc1ccc(cc1)Cl 1P003LOK [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.1 O=C=Nc1ccc(cc1)F 1P000POJ [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.1 O=C=Nc1ccc(cc1)I 1P001QOL [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.1 O=CCc1ccc(cc1)Br 1P00BCHQ [1,1,0,0,0,0|0,0,0]=2 1551 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [1,1,0,0,0,0|0,0,0]=2 1552 B10R1.1 O=CCc1ccc(cc1)Cl 1P00BXZ5 [1,1,0,0,0,0|0,0,0]=2 1553 B10R1.1 O=CCc1ccc(cc1)F 1P001ZIV [1,1,0,0,0,0|0,0,0]=2 1554 B10R1.1 O=CNc1ccc(cc1)C 1P0031YS [1,1,0,0,0,0|1,0,0]=3 1555 B10R1.1 O=CNc1ccc(cc1)Cl 1P002SFX [1,1,0,0,0,0|1,0,0]=3 1556 B10R1.1 O=CNc1ccc(cc1)F 1P003EST [1,1,0,0,0,0|1,0,0]=3 1557 B10R1.1 O=CNc1ccc(cc1)O 1P007B39 [1,1,0,0,0,0|1,0,0]=3 1558 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [1,1,0,0,0,0|0,0,1]=3 1559 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [1,1,0,0,0,0|0,0,1]=3 1560 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [1,1,0,0,0,0|0,0,1]=3 1561 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [1,1,0,0,0,0|0,0,1]=3 1562 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [1,1,0,0,0,0|0,0,1]=3 1563 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [1,1,0,0,0,0|0,0,1]=3 1564 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [1,1,0,0,0,0|0,0,1]=3 1565 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [1,1,0,0,0,0|1,0,1]=4 1567 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.1 ON=Cc1ccc(cc1)F 1P00FO0D [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.1 ON=Cc1ccc(cc1)O 1P00EO7H [1,1,0,0,0,0|1,0,1]=4 1575 B10R1.1 O\N=C\c1ccc(cc1)C 1P00CZRO [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.1 O\N=C\c1ccc(cc1)Cl 1P003LN3 [1,1,0,0,0,0|1,0,1]=4 1577 B10R1.1 O\N=C\c1ccc(cc1)F 1P006YTP [1,1,0,0,0,0|1,0,1]=4 1578 B10R1.1 O\N=C\c1ccc(cc1)O 1P00FAO7 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.4 BrCCc1ccccc1C 1P001Y5M [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.4 BrCCc1ccccc1F 1P003DA4 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.4 Br\C=C/c1ccccc1F 1P028BPP [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.4 C#CCc1ccccc1F 1P01DVP6 [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.4 C#CCc1ccccc1O 1P00CLW6 [1,1,0,0,0,0|1,0,1]=4 1587 B10R1.4 C=CCc1ccccc1Br 1P003EDU [1,1,0,0,0,0|1,0,0]=3 1588 B10R1.4 C=CCc1ccccc1C 1P001R8K [1,1,0,0,0,0|1,0,0]=3 1589 B10R1.4 C=CCc1ccccc1Cl 1P001R8I [1,1,0,0,0,0|1,0,0]=3 1590 B10R1.4 C=CCc1ccccc1O 1P002064 [1,1,0,0,0,0|1,0,0]=3 1591 B10R1.4 C=CCn1ccccc1=O 1P00C1OY [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.4 CCCc1ccccc1Br 1P01A28R [1,1,0,0,0,0|1,0,1]=4 1593 B10R1.4 CCCc1ccccc1I 1P007DSL [1,1,0,0,0,0|1,0,1]=4 1594 B10R1.4 CCCc1ccccc1N 1P0023UO [1,1,0,0,0,0|1,0,1]=4 1595 B10R1.4 CCCc1ccccc1N 1P028ATX [1,1,0,0,0,0|1,0,1]=4 1596 B10R1.4 CNCc1ccccc1Br 1P003C2Q [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.4 CNCc1ccccc1C 1P004MU6 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.4 CNCc1ccccc1C 1P00J2B1 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.4 CNCc1ccccc1Cl 1P005WFN [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.4 CNCc1ccccc1F 1P003C3Y [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.4 CNCc1ccccc1F 1P019WE2 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.4 CNCc1ccccc1I 1P028D3W [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.4 CNCc1ccccc1N 1P00B4VD [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.4 CNCc1ccccc1O 1P003HWH [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.4 CNCc1ccccc1O 1P00IBRS [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.4 CNCc1ccccc1O 1P019NN0 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.4 COCc1ccccc1Br 1P00DAT5 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.4 COCc1ccccc1N 1P019UQK [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.4 COCc1ccccc1O 1P00EIVC [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.4 CSCc1ccccc1Br 1P01AM4A [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.4 CSCc1ccccc1F 1P01DIBG [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.4 CSCc1ccccc1N 1P01AC36 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.4 ClCCc1ccccc1C 1P0076GQ [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [1,1,0,0,0,0|1,0,1]=4 1616 B10R1.4 ClCCc1ccccc1F 1P000Q40 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.4 ICCc1ccccc1F 1P01BEPP [1,1,0,0,0,0|1,0,1]=4 1618 B10R1.4 N#CCc1ccccc1Br 1P0033NG [1,1,0,0,0,0|1,0,1]=4 1619 B10R1.4 N#CCc1ccccc1C 1P003BPV [1,1,0,0,0,0|1,0,1]=4 1620 B10R1.4 N#CCc1ccccc1Cl 1P002W6M [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.4 N#CCc1ccccc1F 1P003HSC [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.4 N#CCc1ccccc1I 1P003HXN [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.4 N#CCc1ccccc1N 1P002ZPN [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.4 N#CCc1ccccc1O 1P001F4B [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.4 NCCc1ccccc1Br 1P0033NE [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.4 NCCc1ccccc1Br 1P009XKK [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.4 NCCc1ccccc1C 1P00IAEQ [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.4 NCCc1ccccc1Cl 1P003F85 [1,1,0,0,0,0|1,0,1]=4 1629 B10R1.4 NCCc1ccccc1F 1P00DERZ [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.4 NCCc1ccccc1I 1P005C61 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.4 NCCc1ccccc1N 1P000HRK [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.4 NCCc1ccccc1N 1P00DED7 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.4 NCCc1ccccc1O 1P0029N4 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.4 NCCc1ccccc1O 1P019VVD [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.4 NNCc1ccccc1Br 1P00HUAC [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.4 NNCc1ccccc1C 1P00J1XT [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.4 NNCc1ccccc1Cl 1P00EM60 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.4 NNCc1ccccc1Cl 1P019D1I [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.4 NNCc1ccccc1F 1P0015VJ [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.4 NNCc1ccccc1F 1P003951 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.4 NNCc1ccccc1F 1P009GXI [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.4 NNCc1ccccc1O 1P028ZMU [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.4 NOCc1ccccc1C 1P008PH3 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.4 NOCc1ccccc1Cl 1P00DJ0J [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.4 NOCc1ccccc1F 1P00BHGU [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.4 O=C=Nc1ccccc1Br 1P003BNC [1,1,0,0,0,0|1,0,1]=4 1647 B10R1.4 O=C=Nc1ccccc1C 1P003TYY [1,1,0,0,0,0|1,0,1]=4 1648 B10R1.4 O=C=Nc1ccccc1F 1P001XUW [1,1,0,0,0,0|1,0,1]=4 1649 B10R1.4 O=C=Nc1ccccc1I 1P000YE4 [1,1,0,0,0,0|1,0,1]=4 1650 B10R1.4 O=CCc1ccccc1Br 1P00IKAJ [1,1,0,0,0,0|0,0,0]=2 1651 B10R1.4 O=CCc1ccccc1Cl 1P00BZYQ [1,1,0,0,0,0|0,0,0]=2 1652 B10R1.4 O=CCc1ccccc1F 1P008QZL [1,1,0,0,0,0|0,0,0]=2 1653 B10R1.4 O=CNc1ccccc1Br 1P00049S [1,1,0,0,0,0|1,0,0]=3 1654 B10R1.4 O=CNc1ccccc1C 1P00GWAW [1,1,0,0,0,0|1,0,0]=3 1655 B10R1.4 O=CNc1ccccc1O 1P00BDFK [1,1,0,0,0,0|1,0,0]=3 1656 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.4 OCCc1ccccc1Br 1P0033B7 [1,1,0,0,0,0|0,0,1]=3 1658 B10R1.4 OCCc1ccccc1C 1P002BSO [1,1,0,0,0,0|0,0,1]=3 1659 B10R1.4 OCCc1ccccc1Cl 1P002BSP [1,1,0,0,0,0|0,0,1]=3 1660 B10R1.4 OCCc1ccccc1F 1P003HSQ [1,1,0,0,0,0|0,0,1]=3 1661 B10R1.4 OCCc1ccccc1I 1P002S0H [1,1,0,0,0,0|0,0,1]=3 1662 B10R1.4 OCCc1ccccc1N 1P0033L2 [1,1,0,0,0,0|0,0,1]=3 1663 B10R1.4 OCCc1ccccc1N 1P028P0Y [1,1,0,0,0,0|0,0,1]=3 1664 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [1,1,0,0,0,0|1,0,1]=4 1666 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.4 OCCc1ccncc1C 1P01C3LX [1,1,0,0,0,0|1,0,1]=4 1668 B10R1.4 OCCc1ncccc1Br 1P000LZX [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.4 OCCc1ncccc1C 1P00DDGW [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.4 OCCc1ncccc1F 1P000177 [1,1,0,0,0,0|1,0,1]=4 1671 B10R1.4 OCCn1ccccc1=O 1P019YLA [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.4 ON=Cc1ccccc1Br 1P019IQ9 [1,1,0,0,0,0|1,0,1]=4 1673 B10R1.4 ON=Cc1ccccc1C 1P001EU6 [1,1,0,0,0,0|1,0,1]=4 1674 B10R1.4 ON=Cc1ccccc1O 1P002L2T [1,1,0,0,0,0|1,0,1]=4 1675 B10R1.4 ONCc1ccccc1Cl 1P01BIC9 [1,1,0,0,0,0|1,0,0]=3 1676 B10R1.4 O\N=C\c1ccccc1Br 1P003H85 [1,1,0,0,0,0|1,0,1]=4 1677 B10R1.4 O\N=C\c1ccccc1Cl 1P003HI6 [1,1,0,0,0,0|1,0,1]=4 1678 B10R1.4 O\N=C\c1ccccc1F 1P002PFF [1,1,0,0,0,0|1,0,1]=4 1679 B10R1.4 O\N=C\c1ccccc1O 1P003UN9 [1,1,0,0,0,0|1,0,1]=4 1680 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [1,1,0,0,0,0|0,1,1]=4 1681 B10R1.4 SCCc1ccccc1I 1P0025ZP [1,1,0,0,0,0|0,1,1]=4 1682 B10R1.4 [C-]#[N+]Cc1ccccc1Br 1P028XJM [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.4 [NH3+]OCc1ccccc1Br 1P006VPJ [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [1,1,0,0,0,0|1,0,1]=4 1685 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [1,1,0,0,0,0|1,0,1]=4 1687 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [1,1,0,0,0,0|1,0,1]=4 1688 B10R1.10 Br\C=C/c1cccc(c1)Cl 1P028AQ3 [1,1,0,0,0,0|1,0,1]=4 1689 B10R1.10 C#CCc1cccc(c1)Cl 1P023JBT [1,1,0,0,0,0|1,0,1]=4 1690 B10R1.10 C=CCc1cccc(c1)Br 1P0024GG [1,1,0,0,0,0|1,0,0]=3 1691 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.10 C=CCc1cccc(c1)F 1P0032AM [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.10 C=CCc1cccc(c1)O 1P001KAF [1,1,0,0,0,0|1,0,0]=3 1694 B10R1.10 C=COc1cccc(c1)C 1P0002M9 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [1,1,0,0,0,0|1,0,1]=4 1696 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.10 CCCc1cccc(c1)F 1P002W84 [1,1,0,0,0,0|1,0,1]=4 1698 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [1,1,0,0,0,0|1,0,1]=4 1699 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [1,1,0,0,0,0|1,0,1]=4 1700 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [1,1,0,0,0,0|1,0,1]=4 1701 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.10 CNCc1cccc(c1)C 1P003K89 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.10 CNCc1cccc(c1)F 1P003C90 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.10 CNCc1cccc(c1)O 1P000LPH [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.10 COCc1cccc(c1)N 1P003IPB [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.10 COCc1cccc(c1)O 1P00IANX [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [1,1,0,0,0,0|1,0,1]=4 1719 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [1,1,0,0,0,0|1,0,1]=4 1720 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [1,1,0,0,0,0|1,0,1]=4 1721 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [1,1,0,0,0,0|1,0,1]=4 1722 B10R1.10 FCCc1cccc(c1)N 1P028L7R [1,1,0,0,0,0|1,0,1]=4 1723 B10R1.10 IC=Cc1cccc(c1)Br 1P01A59I [1,1,0,0,0,0|1,0,1]=4 1724 B10R1.10 N#CCc1cccc(c1)Br 1P003JLJ [1,1,0,0,0,0|1,0,1]=4 1725 B10R1.10 N#CCc1cccc(c1)C 1P002YYS [1,1,0,0,0,0|1,0,1]=4 1726 B10R1.10 N#CCc1cccc(c1)Cl 1P003JRW [1,1,0,0,0,0|1,0,1]=4 1727 B10R1.10 N#CCc1cccc(c1)F 1P003JYA [1,1,0,0,0,0|1,0,1]=4 1728 B10R1.10 N#CCc1cccc(c1)I 1P000VBA [1,1,0,0,0,0|1,0,1]=4 1729 B10R1.10 N#CCc1cccc(c1)N 1P00DA3L [1,1,0,0,0,0|1,0,1]=4 1730 B10R1.10 N#CCc1cccc(c1)O 1P0038M2 [1,1,0,0,0,0|1,0,1]=4 1731 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [1,1,0,0,0,0|1,0,1]=4 1732 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [1,1,0,0,0,0|1,0,1]=4 1733 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [1,1,0,0,0,0|1,0,1]=4 1734 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [1,1,0,0,0,0|1,0,1]=4 1735 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [1,1,0,0,0,0|1,0,1]=4 1736 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [1,1,0,0,0,0|1,0,1]=4 1737 B10R1.10 NCCc1cccc(c1)I 1P027YWC [1,1,0,0,0,0|1,0,1]=4 1738 B10R1.10 NCCc1cccc(c1)N 1P004DKM [1,1,0,0,0,0|1,0,1]=4 1739 B10R1.10 NCCc1cccc(c1)N 1P00G36E [1,1,0,0,0,0|1,0,1]=4 1740 B10R1.10 NCCc1cccc(c1)O 1P003K1G [1,1,0,0,0,0|1,0,1]=4 1741 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [1,1,0,0,0,0|1,0,1]=4 1742 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [1,1,0,0,0,0|1,0,1]=4 1743 B10R1.10 NNCc1cccc(c1)Br 1P019ZHS [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.10 NNCc1cccc(c1)Br 1P01DDSX [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.10 NNCc1cccc(c1)Cl 1P000RQ2 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.10 NNCc1cccc(c1)Cl 1P002RTJ [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.10 NNCc1cccc(c1)F 1P0001BT [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.10 NNCc1cccc(c1)F 1P01A12G [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.10 NNCc1cccc(c1)O 1P003K10 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [1,1,0,0,0,0|1,0,1]=4 1756 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [1,1,0,0,0,0|1,0,1]=4 1757 B10R1.10 O=C=Nc1cccc(c1)Br 1P002MRU [1,1,0,0,0,0|1,0,1]=4 1758 B10R1.10 O=C=Nc1cccc(c1)C 1P003RY5 [1,1,0,0,0,0|1,0,1]=4 1759 B10R1.10 O=C=Nc1cccc(c1)Cl 1P003453 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.10 O=C=Nc1cccc(c1)F 1P003JY8 [1,1,0,0,0,0|1,0,1]=4 1761 B10R1.10 O=C=Nc1cccc(c1)I 1P002MRT [1,1,0,0,0,0|1,0,1]=4 1762 B10R1.10 O=CCc1cccc(c1)Br 1P008SJJ [1,1,0,0,0,0|0,0,0]=2 1763 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [1,1,0,0,0,0|0,0,0]=2 1764 B10R1.10 O=CCc1cccc(c1)Cl 1P00BZE9 [1,1,0,0,0,0|0,0,0]=2 1765 B10R1.10 O=CCc1cccc(c1)F 1P00G36B [1,1,0,0,0,0|0,0,0]=2 1766 B10R1.10 O=CNc1cccc(c1)N 1P00EI0L [1,1,0,0,0,0|1,0,0]=3 1767 B10R1.10 O=CNc1cccc(c1)O 1P002Q8J [1,1,0,0,0,0|1,0,0]=3 1768 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [1,1,0,0,0,0|1,0,1]=4 1769 B10R1.10 OCCc1cccc(c1)Br 1P00343L [1,1,0,0,0,0|0,0,1]=3 1770 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [1,1,0,0,0,0|0,0,1]=3 1771 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [1,1,0,0,0,0|0,0,1]=3 1772 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [1,1,0,0,0,0|0,0,1]=3 1773 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [1,1,0,0,0,0|0,0,1]=3 1774 B10R1.10 OCCc1cccc(c1)O 1P0071LP [1,1,0,0,0,0|0,0,1]=3 1775 B10R1.10 OCCc1cccc(n1)Br 1P00376A [1,1,0,0,0,0|1,0,1]=4 1776 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [1,1,0,0,0,0|1,0,1]=4 1777 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [1,1,0,0,0,0|1,0,1]=4 1778 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [1,1,0,0,0,0|1,0,1]=4 1779 B10R1.10 ON=Cc1cccc(c1)Br 1P01B2UA [1,1,0,0,0,0|1,0,1]=4 1780 B10R1.10 O\N=C\c1cccc(c1)F 1P007Y3A [1,1,0,0,0,0|1,0,1]=4 1781 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [1,1,0,0,0,0|0,1,1]=4 1782 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl 1P007W6T [1,1,0,0,0,0|2,0,0]=4 1783 B10R1.15 *CC(c1ccccc1)* 1P0035YN [1,1,0,0,0,0|1,0,1]=4 1784 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [1,1,0,0,0,0|1,0,1]=4 1785 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [1,1,0,0,0,0|1,0,1]=4 1786 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [1,1,0,0,0,0|1,0,1]=4 1787 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [1,1,0,0,0,0|1,0,1]=4 1788 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [1,1,0,0,0,0|1,0,1]=4 1789 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [1,1,0,0,0,0|1,0,1]=4 1790 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [1,1,0,0,0,0|1,0,1]=4 1791 B10R1.15 C=CC(=O)c1ccccc1 1P003A5I [1,1,0,0,0,0|1,0,1]=4 1792 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [1,1,0,0,0,0|1,0,0]=3 1793 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [1,1,0,0,0,0|1,0,0]=3 1794 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.15 C=CS(=O)c1ccccc1 1P0029ZV [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [1,1,0,0,0,0|1,0,0]=3 1798 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [1,1,0,0,0,0|1,0,0]=3 1799 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [1,1,0,0,0,0|1,0,0]=3 1800 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [1,1,0,0,0,0|1,0,1]=4 1801 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [1,1,0,0,0,0|1,0,1]=4 1802 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [1,1,0,0,0,0|1,0,1]=4 1804 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [1,1,0,0,0,0|1,0,1]=4 1805 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [1,1,0,0,0,0|1,0,1]=4 1806 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [1,1,0,0,0,0|1,0,1]=4 1807 B10R1.15 CCC(c1ccccc1)N 1P003F3H [1,1,0,0,0,0|1,0,1]=4 1808 B10R1.15 CCC(c1ccccc1)S 1P01A000 [1,1,0,0,0,0|1,0,1]=4 1809 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [1,1,0,0,0,0|1,0,1]=4 1810 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [1,1,0,0,0,0|1,0,1]=4 1811 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [1,1,0,0,0,0|1,0,1]=4 1812 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [1,1,0,0,0,0|1,0,1]=4 1813 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.15 CNC(c1ccccc1)C 1P00C63A [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [1,1,0,0,0,0|1,0,1]=4 1820 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [1,1,0,0,0,0|1,0,1]=4 1821 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [1,1,0,0,0,0|1,0,1]=4 1822 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [1,1,0,0,0,0|1,0,1]=4 1823 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [1,1,0,0,0,0|1,0,1]=4 1824 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [1,1,0,0,0,0|1,0,1]=4 1825 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [1,1,0,0,0,0|1,0,1]=4 1826 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [1,1,0,0,0,0|1,0,1]=4 1827 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [1,1,0,0,0,0|1,0,1]=4 1828 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [1,1,0,0,0,0|1,0,1]=4 1829 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [1,1,0,0,0,0|1,0,1]=4 1830 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [1,1,0,0,0,0|1,0,1]=4 1831 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [1,1,0,0,0,0|1,0,1]=4 1832 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [1,1,0,0,0,0|1,0,1]=4 1833 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [1,1,0,0,0,0|1,0,1]=4 1834 B10R1.15 NCC(c1ccccc1)N 1P001X54 [1,1,0,0,0,0|1,0,1]=4 1835 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [1,1,0,0,0,0|1,0,1]=4 1836 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [1,1,0,0,0,0|1,0,1]=4 1837 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [1,1,0,0,0,0|1,0,1]=4 1838 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [1,1,0,0,0,0|1,0,1]=4 1839 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [1,1,0,0,0,0|1,0,1]=4 1840 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [1,1,0,0,0,0|1,0,1]=4 1841 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [1,1,0,0,0,0|1,0,1]=4 1842 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [1,1,0,0,0,0|1,0,1]=4 1843 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [1,1,0,0,0,0|1,0,1]=4 1844 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [1,1,0,0,0,0|2,0,0]=4 1846 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [1,1,0,0,0,0|2,0,0]=4 1848 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [1,1,0,0,0,0|2,0,0]=4 1849 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [1,1,0,0,0,0|1,0,1]=4 1850 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [1,1,0,0,0,0|1,0,1]=4 1851 B10R1.15 O=CC(=O)c1ccccc1 1P0035XU [1,1,0,0,0,0|0,0,1]=3 1852 B10R1.15 O=CC(=O)c1ccccc1 1P0035XV [1,1,0,0,0,0|0,0,1]=3 1853 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [1,1,0,0,0,0|0,0,0]=2 1854 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [1,1,0,0,0,0|1,0,0]=3 1855 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [1,1,0,0,0,0|2,0,0]=4 1856 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [1,1,0,0,0,0|2,0,0]=4 1857 B10R1.15 O=NN(c1ccccc1)[O-] 1P00IKYS [1,1,0,0,0,0|2,0,0]=4 1858 B10R1.15 O=NN(c1ccccc1)[O-] 1P01DQLH [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [1,1,0,0,0,0|1,0,1]=4 1860 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [1,1,0,0,0,0|1,0,1]=4 1861 B10R1.15 OCC(=C)c1ccccc1 1P0036LP [1,1,0,0,0,0|0,0,2]=4 1862 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [1,1,0,0,0,0|0,0,2]=4 1863 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [1,1,0,0,0,0|0,0,1]=3 1864 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [1,1,0,0,0,0|0,0,1]=3 1865 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [1,1,0,0,0,0|0,0,1]=3 1866 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [1,1,0,0,0,0|1,0,1]=4 1867 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [1,1,0,0,0,0|1,0,1]=4 1868 B10R1.15 OCC(c1ccccn1)O 1P0285SM [1,1,0,0,0,0|1,0,1]=4 1869 B10R1.15 OCC(c1cccnc1)N 1P0092VK [1,1,0,0,0,0|1,0,1]=4 1870 B10R1.15 OCC(c1ccncc1)N 1P00171M [1,1,0,0,0,0|1,0,1]=4 1871 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [1,1,0,0,0,0|1,0,1]=4 1872 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [1,1,0,0,0,0|0,0,1]=3 1873 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [1,1,0,0,0,0|0,0,1]=3 1874 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [1,1,0,0,0,0|0,0,1]=3 1875 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [1,1,0,0,0,0|1,0,1]=4 1876 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [1,1,0,0,0,0|0,0,1]=3 1877 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [1,1,0,0,0,0|0,0,1]=3 1878 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [1,1,0,0,0,0|0,0,1]=3 1879 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [1,1,0,0,0,0|0,0,1]=3 1880 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [1,1,0,0,0,0|1,0,1]=4 1881 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [1,1,0,0,0,0|1,0,1]=4 1882 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [1,1,0,0,0,0|1,0,1]=4 1883 B10R1.15 ON=C(c1ccccc1)C 1P00DMUA [1,1,0,0,0,0|1,0,1]=4 1884 B10R1.15 ON=C(c1ccccc1)Cl 1P01ACQ0 [1,1,0,0,0,0|1,0,1]=4 1885 B10R1.15 ON=C(c1ccccc1)N 1P01BA34 [1,1,0,0,0,0|1,0,1]=4 1886 B10R1.15 ONC(=O)c1ccccc1 1P003OIX [1,1,0,0,0,0|1,0,1]=4 1887 B10R1.15 ONC(c1ccccc1)C 1P002XUP [1,1,0,0,0,0|1,0,0]=3 1888 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [1,1,0,0,0,0|1,0,1]=4 1889 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [1,1,0,0,0,0|1,0,1]=4 1890 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [1,1,0,0,0,0|1,0,1]=4 1891 B10R1.15 O\N=C(\c1ccccc1)/C 1P003O45 [1,1,0,0,0,0|1,0,1]=4 1892 B10R1.15 O\N=C(\c1ccccc1)/Cl 1P00FAE8 [1,1,0,0,0,0|1,0,1]=4 1893 B10R1.15 O\N=C(\c1ccccc1)/N 1P003OH7 [1,1,0,0,0,0|1,0,1]=4 1894 B10R1.15 O\N=C(\c1ccccc1)/N 1P009A68 [1,1,0,0,0,0|1,0,1]=4 1895 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [1,1,0,0,0,0|0,1,1]=4 1896 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [1,1,0,0,0,0|1,0,1]=4 1897 B10R1.17 BrCCCc1ccccc1 1P003EL3 [1,1,0,0,0,0|1,0,1]=4 1898 B10R1.17 BrCCOc1ccccc1 1P003IB5 [1,1,0,0,0,0|1,0,1]=4 1899 B10R1.17 BrCCSc1ccccc1 1P003H8K [1,1,0,0,0,0|1,0,1]=4 1900 B10R1.17 BrCOCc1ccccc1 1P0025GN [1,1,0,0,0,0|1,0,1]=4 1901 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [1,1,0,0,0,0|1,0,1]=4 1902 B10R1.17 C#CCOc1ccccc1 1P003U5X [1,1,0,0,0,0|1,0,1]=4 1903 B10R1.17 C#CCSc1ccccc1 1P003U5Y [1,1,0,0,0,0|1,0,1]=4 1904 B10R1.17 C=CCCc1ccccc1 1P003MFS [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.17 C=CCCc1ccccn1 1P002M25 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.17 C=CCCc1cccnc1 1P00663U [1,1,0,0,0,0|2,0,0]=4 1907 B10R1.17 C=CCNc1ccccc1 1P003T6A [1,1,0,0,0,0|1,0,0]=3 1908 B10R1.17 C=CCOc1ccccc1 1P00209R [1,1,0,0,0,0|1,0,0]=3 1909 B10R1.17 C=CCOc1cccnc1 1P00AUI6 [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.17 C=CCSc1ccccc1 1P003O6K [1,1,0,0,0,0|1,0,0]=3 1911 B10R1.17 C=COCc1ccccc1 1P003AEJ [1,1,0,0,0,0|1,0,0]=3 1912 B10R1.17 C=C\C=C\c1ccccc1 1P003VC6 [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.17 C=NOCc1ccccc1 1P027KVW [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.17 CCCCc1ccccc1 1P003P2W [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.17 CCCNc1ccccc1 1P003TSL [1,1,0,0,0,0|1,0,1]=4 1916 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.17 CCNCc1ccccc1 1P003TGS [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.17 CNCCc1ccccc1 1P003TP4 [1,1,0,0,0,0|1,0,1]=4 1919 B10R1.17 CNCCc1ccccc1 1P00CJS7 [1,1,0,0,0,0|1,0,1]=4 1920 B10R1.17 CNNCc1ccccc1 1P007YMP [1,1,0,0,0,0|2,0,0]=4 1921 B10R1.17 CNNCc1ccccc1 1P01EKFO [1,1,0,0,0,0|2,0,0]=4 1922 B10R1.17 CNOCc1ccccc1 1P005PAZ [1,1,0,0,0,0|2,0,0]=4 1923 B10R1.17 CNOCc1ccccc1 1P01A29U [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.17 COCCc1ccccc1 1P003C4E [1,1,0,0,0,0|0,0,1]=3 1925 B10R1.17 COCSc1ccccc1 1P0019FA [1,1,0,0,0,0|1,0,1]=4 1926 B10R1.17 CONCc1ccccc1 1P006Y6C [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.17 CONCc1ccccc1 1P01A5XA [1,1,0,0,0,0|1,0,0]=3 1928 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [1,1,0,0,0,0|1,0,1]=4 1929 B10R1.17 ClCCCc1ccccc1 1P003BI4 [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.17 ClCCNc1ccccc1 1P01DXCM [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.17 ClCCNc1ccccc1 1P0280C1 [1,1,0,0,0,0|1,0,1]=4 1932 B10R1.17 ClCCOc1ccccc1 1P00IBGC [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.17 ClCCSc1ccccc1 1P003C3J [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.17 ClCOCc1ccccc1 1P0034YY [1,1,0,0,0,0|1,0,1]=4 1935 B10R1.17 ClCSCc1ccccc1 1P003OKP [1,1,0,0,0,0|1,0,1]=4 1936 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [1,1,0,0,0,0|1,0,1]=4 1937 B10R1.17 ICCCc1ccccc1 1P003EWA [1,1,0,0,0,0|1,0,1]=4 1938 B10R1.17 ICCOc1ccccc1 1P00C6JI [1,1,0,0,0,0|1,0,1]=4 1939 B10R1.17 N#CC=Cc1ccccc1 1P00D984 [1,1,0,0,0,0|1,0,1]=4 1940 B10R1.17 N#CCCc1ccccc1 1P003KCJ [1,1,0,0,0,0|1,0,1]=4 1941 B10R1.17 N#CCNc1ccccc1 1P00I63F [1,1,0,0,0,0|1,0,1]=4 1942 B10R1.17 N#CCOc1ccccc1 1P003U55 [1,1,0,0,0,0|1,0,1]=4 1943 B10R1.17 N#CCSc1ccccc1 1P003U6Y [1,1,0,0,0,0|1,0,1]=4 1944 B10R1.17 N#CSCc1ccccc1 1P003OLC [1,1,0,0,0,0|1,0,1]=4 1945 B10R1.17 N#C\C=C\c1ccccc1 1P002HEA [1,1,0,0,0,0|1,0,1]=4 1946 B10R1.17 NCCCc1ccccc1 1P0029L7 [1,1,0,0,0,0|1,0,1]=4 1947 B10R1.17 NCCNc1ccccc1 1P001X6L [1,1,0,0,0,0|1,0,1]=4 1948 B10R1.17 NCCOc1ccccc1 1P0021OC [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.17 NCCOc1ccccc1 1P0027L1 [1,1,0,0,0,0|1,0,1]=4 1950 B10R1.17 NCCSc1ccccc1 1P002DUS [1,1,0,0,0,0|1,0,1]=4 1951 B10R1.17 NCCSc1ccccc1 1P00J3FE [1,1,0,0,0,0|1,0,1]=4 1952 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [1,1,0,0,0,0|1,0,1]=4 1953 B10R1.17 NNCCc1ccccc1 1P001OVR [1,1,0,0,0,0|1,0,1]=4 1954 B10R1.17 NNCCc1ccccc1 1P00B63Y [1,1,0,0,0,0|1,0,1]=4 1955 B10R1.17 NNCCc1ccccc1 1P00DB0J [1,1,0,0,0,0|1,0,1]=4 1956 B10R1.17 NNCCc1ccccc1 1P00I9LM [1,1,0,0,0,0|1,0,1]=4 1957 B10R1.17 NOCCc1ccccc1 1P0071ZN [1,1,0,0,0,0|0,0,1]=3 1958 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [1,1,0,0,0,0|0,0,1]=3 1959 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [1,1,0,0,0,0|0,0,1]=3 1960 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [1,1,0,0,0,0|0,0,1]=3 1961 B10R1.17 O=CC=Cc1ccncc1 1P01ADG3 [1,1,0,0,0,0|1,0,1]=4 1962 B10R1.17 O=CCCc1ccccc1 1P003RFA [1,1,0,0,0,0|0,0,0]=2 1963 B10R1.17 O=CCCc1ccccn1 1P00BGWO [1,1,0,0,0,0|1,0,0]=3 1964 B10R1.17 O=CCCc1cccnc1 1P00228Y [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.17 O=CCCc1ccncc1 1P0075XB [1,1,0,0,0,0|1,0,0]=3 1966 B10R1.17 O=CCOc1ccccc1 1P007P8S [1,1,0,0,0,0|0,0,0]=2 1967 B10R1.17 O=CCOc1ccccn1 1P01C7JG [1,1,0,0,0,0|1,0,0]=3 1968 B10R1.17 O=CNCc1ccccc1 1P003T8E [1,1,0,0,0,0|0,0,0]=2 1969 B10R1.17 O=CNNc1ccccc1 1P00IBGB [1,1,0,0,0,0|1,0,0]=3 1970 B10R1.17 O=COCc1ccccc1 1P008RMC [1,1,0,0,0,0|0,0,0]=2 1971 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [1,1,0,0,0,0|0,0,0]=2 1972 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [1,1,0,0,0,0|0,0,1]=3 1973 B10R1.17 O=C\C=C\c1ccccn1 1P01A264 [1,1,0,0,0,0|1,0,1]=4 1974 B10R1.17 O=C\C=C\c1cccnc1 1P003VDM [1,1,0,0,0,0|1,0,1]=4 1975 B10R1.17 O=NCNc1cccnc1 1P005VML [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.17 OCC#Cc1ccccc1 1P001N1G [1,1,0,0,0,0|0,0,2]=4 1977 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [1,1,0,0,0,0|0,0,1]=3 1978 B10R1.17 OCC=Cc1ccccn1 1P000ZYV [1,1,0,0,0,0|1,0,1]=4 1979 B10R1.17 OCCCc1ccccc1 1P00170B [1,1,0,0,0,0|0,0,1]=3 1980 B10R1.17 OCCCc1ccccn1 1P002W8D [1,1,0,0,0,0|1,0,1]=4 1981 B10R1.17 OCCCc1ccccn1 1P003II3 [1,1,0,0,0,0|1,0,1]=4 1982 B10R1.17 OCCCc1cccnc1 1P002W8E [1,1,0,0,0,0|1,0,1]=4 1983 B10R1.17 OCCCc1ccncc1 1P002T2T [1,1,0,0,0,0|1,0,1]=4 1984 B10R1.17 OCCNc1ccccc1 1P00170A [1,1,0,0,0,0|0,0,1]=3 1985 B10R1.17 OCCNc1ccccn1 1P00GWAF [1,1,0,0,0,0|1,0,1]=4 1986 B10R1.17 OCCNc1ccccn1 1P01F2SN [1,1,0,0,0,0|1,0,1]=4 1987 B10R1.17 OCCNc1cccnc1 1P028RNR [1,1,0,0,0,0|1,0,1]=4 1988 B10R1.17 OCCNc1ccncc1 1P002G57 [1,1,0,0,0,0|1,0,1]=4 1989 B10R1.17 OCCOc1ccccc1 1P0033W0 [1,1,0,0,0,0|0,0,1]=3 1990 B10R1.17 OCCOc1cccnc1 1P000QDL [1,1,0,0,0,0|1,0,1]=4 1991 B10R1.17 OCCSc1ccccc1 1P003FKS [1,1,0,0,0,0|0,0,1]=3 1992 B10R1.17 OCCSc1ccccn1 1P008PC7 [1,1,0,0,0,0|1,0,1]=4 1993 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [1,1,0,0,0,0|0,0,1]=3 1994 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [1,1,0,0,0,0|0,0,1]=3 1995 B10R1.17 OC\C=C\c1cccnc1 1P009991 [1,1,0,0,0,0|1,0,1]=4 1996 B10R1.17 OC\C=C\c1ccncc1 1P00BBQ8 [1,1,0,0,0,0|1,0,1]=4 1997 B10R1.17 ONCCc1ccccc1 1P00CZ3B [1,1,0,0,0,0|0,0,1]=3 1998 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [1,1,0,0,0,0|0,1,1]=4 1999 B10R1.17 SCCCc1ccccc1 1P002PQQ [1,1,0,0,0,0|0,1,1]=4 2000 B10R1.17 SCCOc1ccccc1 1P0037FU [1,1,0,0,0,0|0,1,1]=4 2001 B10R1.17 SCCSc1ccccc1 1P00ALQK [1,1,0,0,0,0|0,1,1]=4 2002 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.13 Brc1ccc(cc1)N(=O)=O 1P0034L5 [0,1,0,0,1,0|1,0,1]=4 2006 B10R1.13 Brc1ccc(cc1)S(=O)C 1P006325 [0,1,0,0,1,0|2,0,0]=4 2007 B10R1.13 Brc1ccc(cc1)S(=O)O 1P000JDB [0,1,0,0,1,0|1,0,0]=3 2008 B10R1.13 Brc1ccc(cc1)S(=O)[O-] 1P0021BJ [0,1,0,0,1,0|1,0,1]=4 2009 B10R1.13 Brc1ccc(cc1)S(=O)[O-] 1P01BEXB [0,1,0,0,1,0|1,0,1]=4 2010 B10R1.13 Brc1ccc(cn1)C(=O)C 1P001AJL [0,1,0,0,1,0|2,0,0]=4 2011 B10R1.13 Brc1ccc(cn1)C(=O)N 1P0089SG [0,1,0,0,1,0|2,0,0]=4 2012 B10R1.13 Brc1ccc(cn1)C(=O)O 1P003NLL [0,1,0,0,1,0|1,0,0]=3 2013 B10R1.13 Brc1ccc(nc1)C(=O)C 1P0033JA [0,1,0,0,1,0|2,0,0]=4 2014 B10R1.13 Brc1ccc(nc1)C(=O)C 1P01BH9H [0,1,0,0,1,0|2,0,0]=4 2015 B10R1.13 Brc1ccc(nc1)C(=O)Cl 1P0013CR [0,1,0,0,1,0|2,0,0]=4 2016 B10R1.13 Brc1ccc(nc1)C(=O)N 1P00GTTW [0,1,0,0,1,0|2,0,0]=4 2017 B10R1.13 Brc1ccc(nc1)C(=O)O 1P0031O7 [0,1,0,0,1,0|1,0,0]=3 2018 B10R1.13 CC(=C)c1ccc(cc1)Br 1P01DFHT [0,1,0,0,1,0|2,0,0]=4 2019 B10R1.13 CC(=C)c1ccc(cc1)Cl 1P003LMX [0,1,0,0,1,0|2,0,0]=4 2020 B10R1.13 CC(=C)c1ccc(cc1)F 1P003ESP [0,1,0,0,1,0|2,0,0]=4 2021 B10R1.13 CC(=C)c1ccc(cc1)I 1P01DFI7 [0,1,0,0,1,0|2,0,0]=4 2022 B10R1.13 CC(=C)c1ccc(cc1)O 1P003U4X [0,1,0,0,1,0|2,0,0]=4 2023 B10R1.13 CC(=O)c1cc[n+](cc1)[O-] 1P00BCEM [0,1,0,0,1,0|2,0,0]=4 2024 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [0,1,0,0,1,0|1,0,0]=3 2025 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [0,1,0,0,1,0|1,0,0]=3 2026 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [0,1,0,0,1,0|1,0,0]=3 2027 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [0,1,0,0,1,0|1,0,0]=3 2028 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [0,1,0,0,1,0|1,0,0]=3 2029 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [0,1,0,0,1,0|1,0,0]=3 2030 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [0,1,0,0,1,0|1,0,0]=3 2031 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [0,1,0,0,1,0|1,0,0]=3 2032 B10R1.13 CC(c1ccc(cc1)Br)O 1P003DF9 [0,1,0,0,1,0|1,0,1]=4 2033 B10R1.13 CC(c1ccc(cc1)Cl)O 1P003DFQ [0,1,0,0,1,0|1,0,1]=4 2034 B10R1.13 CC(c1ccc(cc1)F)O 1P003DGC [0,1,0,0,1,0|1,0,1]=4 2035 B10R1.13 CC(c1ccc(cc1)I)O 1P00DZFM [0,1,0,0,1,0|1,0,1]=4 2036 B10R1.13 CC(c1ccc(cc1)N)O 1P001DTE [0,1,0,0,1,0|1,0,1]=4 2037 B10R1.13 CC(c1ccc(cc1)S)O 1P01BD1Q [0,1,0,0,1,0|1,0,1]=4 2038 B10R1.13 CC1=CCC(=CC1)C(=O)O 1P01DU9K [0,1,0,0,1,0|0,0,2]=4 2039 B10R1.13 C[C@@H](c1ccc(cc1)Br)O 1P0003B7 [0,1,0,0,1,0|1,0,1]=4 2040 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O 1P003D38 [0,1,0,0,1,0|1,0,1]=4 2041 B10R1.13 C[C@@H](c1ccc(cc1)F)O 1P0004GE [0,1,0,0,1,0|1,0,1]=4 2042 B10R1.13 C[C@@H](c1ccc(cc1)I)O 1P01AH65 [0,1,0,0,1,0|1,0,1]=4 2043 B10R1.13 C[C@@H](c1ccc(cc1)N)O 1P01A474 [0,1,0,0,1,0|1,0,1]=4 2044 B10R1.13 C[C@H](c1ccc(cc1)Br)O 1P003CQX [0,1,0,0,1,0|1,0,1]=4 2045 B10R1.13 C[C@H](c1ccc(cc1)Cl)O 1P003CQY [0,1,0,0,1,0|1,0,1]=4 2046 B10R1.13 C[C@H](c1ccc(cc1)F)O 1P0004GH [0,1,0,0,1,0|1,0,1]=4 2047 B10R1.13 C[C@H](c1ccc(cc1)I)O 1P01AAE3 [0,1,0,0,1,0|1,0,1]=4 2048 B10R1.13 C[C@H](c1ccc(cc1)N)O 1P01A4RA [0,1,0,0,1,0|1,0,1]=4 2049 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [0,1,0,0,1,0|1,0,0]=3 2050 B10R1.13 Cc1ccc(cc1)C(O)C 1P003DHB [0,1,0,0,1,0|1,0,1]=4 2051 B10R1.13 Cc1ccc(cc1)S(=O)C 1P003EYO [0,1,0,0,1,0|2,0,0]=4 2052 B10R1.13 Cc1ccc(cc1)S(=O)Cl 1P008Z3I [0,1,0,0,1,0|2,0,0]=4 2053 B10R1.13 Cc1ccc(cc1)S(=O)N 1P0034KI [0,1,0,0,1,0|2,0,0]=4 2054 B10R1.13 Cc1ccc(cc1)S(=O)O 1P001REW [0,1,0,0,1,0|1,0,0]=3 2055 B10R1.13 Cc1ccc(cc1)S(=O)O 1P00IA0Y [0,1,0,0,1,0|1,0,0]=3 2056 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P001YJL [0,1,0,0,1,0|1,0,1]=4 2057 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P002JRA [0,1,0,0,1,0|1,0,1]=4 2058 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00362L [0,1,0,0,1,0|1,0,1]=4 2059 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P003UUH [0,1,0,0,1,0|1,0,1]=4 2060 B10R1.13 Cc1ccc(cc1)S(=O)[O-] 1P00FCR3 [0,1,0,0,1,0|1,0,1]=4 2061 B10R1.13 Cc1ccc(cc1)[C@@H](O)C 1P00DA1A [0,1,0,0,1,0|1,0,1]=4 2062 B10R1.13 Cc1ccc(cc1)[C@H](O)C 1P00C0M3 [0,1,0,0,1,0|1,0,1]=4 2063 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] 1P0036PU [0,1,0,0,1,0|1,0,1]=4 2064 B10R1.13 Cc1ccc(cc1)[S@@](=O)C 1P003CVR [0,1,0,0,1,0|2,0,0]=4 2065 B10R1.13 Cc1ccc(cc1)[S@@](=O)N 1P002PL9 [0,1,0,0,1,0|2,0,0]=4 2066 B10R1.13 Cc1ccc(cc1)[S@](=O)C 1P003CMM [0,1,0,0,1,0|2,0,0]=4 2067 B10R1.13 Cc1ccc(cc1)[S@](=O)N 1P002HDM [0,1,0,0,1,0|2,0,0]=4 2068 B10R1.13 Cc1ccc(cn1)C(=O)C 1P007AKR [0,1,0,0,1,0|2,0,0]=4 2069 B10R1.13 Cc1ccc(cn1)C(=O)N 1P005KIX [0,1,0,0,1,0|2,0,0]=4 2070 B10R1.13 Cc1ccc(cn1)C(=O)O 1P007HIP [0,1,0,0,1,0|1,0,0]=3 2071 B10R1.13 Cc1ccc(nc1)C(=O)C 1P003GRQ [0,1,0,0,1,0|2,0,0]=4 2072 B10R1.13 Cc1ccc(nc1)C(=O)C 1P00J2IE [0,1,0,0,1,0|2,0,0]=4 2073 B10R1.13 Cc1ccc(nc1)C(=O)N 1P00C4PA [0,1,0,0,1,0|2,0,0]=4 2074 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0025QJ [0,1,0,0,1,0|1,0,0]=3 2075 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0038BJ [0,1,0,0,1,0|1,0,0]=3 2076 B10R1.13 Cc1ccc(nn1)C(=O)O 1P003NRM [0,1,0,0,1,0|2,0,0]=4 2077 B10R1.13 Cc1cnc(cn1)C(=O)O 1P00IAB5 [0,1,0,0,1,0|2,0,0]=4 2078 B10R1.13 ClC(=C)c1ccc(cc1)Br 1P01DWVX [0,1,0,0,1,0|2,0,0]=4 2079 B10R1.13 ClC(=O)c1ccc(cc1)Br 1P00IAVO [0,1,0,0,1,0|1,0,0]=3 2080 B10R1.13 ClC(=O)c1ccc(cc1)C 1P003606 [0,1,0,0,1,0|1,0,0]=3 2081 B10R1.13 ClC(=O)c1ccc(cc1)F 1P003LVT [0,1,0,0,1,0|1,0,0]=3 2082 B10R1.13 ClC(=O)c1ccc(cc1)I 1P007UPD [0,1,0,0,1,0|1,0,0]=3 2083 B10R1.13 Clc1ccc(cc1)C(=O)Cl 1P003LNG [0,1,0,0,1,0|1,0,0]=3 2084 B10R1.13 Clc1ccc(cc1)S(=O)C 1P00GS94 [0,1,0,0,1,0|2,0,0]=4 2085 B10R1.13 Clc1ccc(cc1)S(=O)[O-] 1P001FFH [0,1,0,0,1,0|1,0,1]=4 2086 B10R1.13 Clc1ccc(cc1)[N+](=O)[O-] 1P0000MR [0,1,0,0,1,0|1,0,1]=4 2087 B10R1.13 Clc1ccc(cn1)C(=O)C 1P0033OV [0,1,0,0,1,0|2,0,0]=4 2088 B10R1.13 Clc1ccc(cn1)C(=O)Cl 1P00IAWT [0,1,0,0,1,0|2,0,0]=4 2089 B10R1.13 Clc1ccc(cn1)C(=O)N 1P003NNG [0,1,0,0,1,0|2,0,0]=4 2090 B10R1.13 Clc1ccc(cn1)C(=O)O 1P003NNH [0,1,0,0,1,0|1,0,0]=3 2091 B10R1.13 Clc1ccc(nc1)C(=O)C 1P006R8V [0,1,0,0,1,0|2,0,0]=4 2092 B10R1.13 Clc1ccc(nc1)C(=O)Cl 1P000Y7Z [0,1,0,0,1,0|2,0,0]=4 2093 B10R1.13 Clc1ccc(nc1)C(=O)N 1P00CB78 [0,1,0,0,1,0|2,0,0]=4 2094 B10R1.13 Clc1ccc(nc1)C(=O)O 1P003N5J [0,1,0,0,1,0|1,0,0]=3 2095 B10R1.13 FC(=C)c1ccc(cc1)Br 1P01DWIQ [0,1,0,0,1,0|2,0,0]=4 2096 B10R1.13 FC(=O)c1ccc(cc1)Br 1P005U0R [0,1,0,0,1,0|1,0,0]=3 2097 B10R1.13 FC(=O)c1ccc(cc1)I 1P0222K3 [0,1,0,0,1,0|1,0,0]=3 2098 B10R1.13 Fc1ccc(cc1)C(=O)F 1P024VDD [0,1,0,0,1,0|1,0,0]=3 2099 B10R1.13 Fc1ccc(cc1)N(=O)=O 1P0034I4 [0,1,0,0,1,0|1,0,1]=4 2100 B10R1.13 Fc1ccc(cc1)S(=O)C 1P00FD2V [0,1,0,0,1,0|2,0,0]=4 2101 B10R1.13 Fc1ccc(cc1)S(=O)[O-] 1P00G2X2 [0,1,0,0,1,0|1,0,1]=4 2102 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] 1P0026NP [0,1,0,0,1,0|1,0,1]=4 2103 B10R1.13 Fc1ccc(cn1)C(=O)C 1P004Y7M [0,1,0,0,1,0|2,0,0]=4 2104 B10R1.13 Fc1ccc(cn1)C(=O)Cl 1P00EAWJ [0,1,0,0,1,0|2,0,0]=4 2105 B10R1.13 Fc1ccc(cn1)C(=O)F 1P01OHCH [0,1,0,0,1,0|2,0,0]=4 2106 B10R1.13 Fc1ccc(cn1)C(=O)N 1P00CZQN [0,1,0,0,1,0|2,0,0]=4 2107 B10R1.13 Fc1ccc(cn1)C(=O)O 1P003NOK [0,1,0,0,1,0|1,0,0]=3 2108 B10R1.13 Fc1ccc(nc1)C(=O)C 1P00GSNJ [0,1,0,0,1,0|2,0,0]=4 2109 B10R1.13 Fc1ccc(nc1)C(=O)C 1P028O6Q [0,1,0,0,1,0|2,0,0]=4 2110 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P00FI5J [0,1,0,0,1,0|2,0,0]=4 2111 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P01C0I6 [0,1,0,0,1,0|2,0,0]=4 2112 B10R1.13 Fc1ccc(nc1)C(=O)N 1P00DIFZ [0,1,0,0,1,0|2,0,0]=4 2113 B10R1.13 Fc1ccc(nc1)C(=O)O 1P0034QI [0,1,0,0,1,0|1,0,0]=3 2114 B10R1.13 Fc1ccc(nc1)C(=O)O 1P01A6GL [0,1,0,0,1,0|1,0,0]=3 2115 B10R1.13 Ic1ccc(cc1)[N+](=O)[O-] 1P00391K [0,1,0,0,1,0|1,0,1]=4 2116 B10R1.13 Ic1ccc(cn1)C(=O)O 1P000V2T [0,1,0,0,1,0|1,0,0]=3 2117 B10R1.13 Ic1ccc(nc1)C(=O)O 1P00C9PY [0,1,0,0,1,0|1,0,0]=3 2118 B10R1.13 NC(=N)c1ccc(cc1)Br 1P0034ES [0,1,0,0,1,0|2,0,0]=4 2119 B10R1.13 NC(=N)c1ccc(cc1)Br 1P006ZLZ [0,1,0,0,1,0|2,0,0]=4 2120 B10R1.13 NC(=N)c1ccc(cc1)C 1P00IBNC [0,1,0,0,1,0|2,0,0]=4 2121 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P001J9E [0,1,0,0,1,0|2,0,0]=4 2122 B10R1.13 NC(=N)c1ccc(cc1)Cl 1P00AP7K [0,1,0,0,1,0|2,0,0]=4 2123 B10R1.13 NC(=N)c1ccc(cc1)F 1P002NJF [0,1,0,0,1,0|2,0,0]=4 2124 B10R1.13 NC(=N)c1ccc(cc1)F 1P00I8ZO [0,1,0,0,1,0|2,0,0]=4 2125 B10R1.13 NC(=N)c1ccc(cc1)I 1P009GFR [0,1,0,0,1,0|2,0,0]=4 2126 B10R1.13 NC(=N)c1ccc(cc1)O 1P0034IQ [0,1,0,0,1,0|2,0,0]=4 2127 B10R1.13 NC(=O)c1cc[n+](cc1)[O-] 1P0079PZ [0,1,0,0,1,0|2,0,0]=4 2128 B10R1.13 NC(=O)c1ccc(cc1)Br 1P00FARZ [0,1,0,0,1,0|1,0,0]=3 2129 B10R1.13 NC(=O)c1ccc(cc1)C 1P003UHI [0,1,0,0,1,0|1,0,0]=3 2130 B10R1.13 NC(=O)c1ccc(cc1)Cl 1P00IBEI [0,1,0,0,1,0|1,0,0]=3 2131 B10R1.13 NC(=O)c1ccc(cc1)F 1P003LVJ [0,1,0,0,1,0|1,0,0]=3 2132 B10R1.13 NC(=O)c1ccc(cc1)I 1P003M19 [0,1,0,0,1,0|1,0,0]=3 2133 B10R1.13 NC(=O)c1ccc(cc1)O 1P0018KP [0,1,0,0,1,0|1,0,0]=3 2134 B10R1.13 NC(=O)c1ccc(cc1)O 1P003LZM [0,1,0,0,1,0|1,0,0]=3 2135 B10R1.13 NC(=O)c1ccc(cc1)S 1P01DWZC [0,1,0,0,1,0|1,0,0]=3 2136 B10R1.13 NC(=S)c1ccc(cc1)Br 1P002SP4 [0,1,0,0,1,0|1,1,0]=4 2137 B10R1.13 NC(=S)c1ccc(cc1)C 1P002OEQ [0,1,0,0,1,0|1,1,0]=4 2138 B10R1.13 NC(=S)c1ccc(cc1)Cl 1P002REP [0,1,0,0,1,0|1,1,0]=4 2139 B10R1.13 NC(=S)c1ccc(cc1)F 1P00709Q [0,1,0,0,1,0|1,1,0]=4 2140 B10R1.13 NC(=S)c1ccc(cc1)O 1P003M0N [0,1,0,0,1,0|1,1,0]=4 2141 B10R1.13 N[13c]1[13cH][13cH][13c]([13cH][13cH]1)[N+](=O)[O-] 1P0201H6 [0,1,0,0,1,0|1,0,1]=4 2142 B10R1.13 Nc1ccc(cc1)C(=N)N 1P002QJF [0,1,0,0,1,0|2,0,0]=4 2143 B10R1.13 Nc1ccc(cc1)C(=N)N 1P005T2T [0,1,0,0,1,0|2,0,0]=4 2144 B10R1.13 Nc1ccc(cc1)C(=O)N 1P003L7G [0,1,0,0,1,0|1,0,0]=3 2145 B10R1.13 Nc1ccc(cc1)C(=S)N 1P003L8W [0,1,0,0,1,0|1,1,0]=4 2146 B10R1.13 Nc1ccc(cc1)S(=O)C 1P00BI2O [0,1,0,0,1,0|2,0,0]=4 2147 B10R1.13 Nc1ccc(cc1)[N+](=O)[O-] 1P001RAJ [0,1,0,0,1,0|1,0,1]=4 2148 B10R1.13 Nc1ccc(cc1)[N+](=O)[O-] 1P0034KZ [0,1,0,0,1,0|1,0,1]=4 2149 B10R1.13 Nc1ccc(cn1)C(=O)C 1P002BVW [0,1,0,0,1,0|2,0,0]=4 2150 B10R1.13 Nc1ccc(cn1)C(=O)N 1P003NJJ [0,1,0,0,1,0|2,0,0]=4 2151 B10R1.13 Nc1ccc(cn1)C(=O)O 1P003NJP [0,1,0,0,1,0|1,0,0]=3 2152 B10R1.13 Nc1ccc(nc1)C(=O)C 1P00DIDZ [0,1,0,0,1,0|2,0,0]=4 2153 B10R1.13 Nc1ccc(nc1)C(=O)N 1P001L6V [0,1,0,0,1,0|2,0,0]=4 2154 B10R1.13 Nc1ccc(nc1)C(=O)O 1P0034NI [0,1,0,0,1,0|1,0,0]=3 2155 B10R1.13 Nc1ccc(nc1)C(=O)O 1P005NVH [0,1,0,0,1,0|1,0,0]=3 2156 B10R1.13 Nc1ccc(nn1)C(=O)O 1P003NJO [0,1,0,0,1,0|2,0,0]=4 2157 B10R1.13 Nc1cnc(cn1)C(=O)O 1P003MV9 [0,1,0,0,1,0|2,0,0]=4 2158 B10R1.13 O=[S-](=O)c1ccc(cc1)C 1P00E5RU [0,1,0,0,1,0|1,0,1]=4 2159 B10R1.13 O=c1ccc(co1)C(=O)O 1P006X98 [0,1,0,0,1,0|1,0,0]=3 2160 B10R1.13 OB(c1ccc(cc1)Br)O 1P003LHN [0,1,0,0,1,0|1,0,1]=4 2161 B10R1.13 OB(c1ccc(cc1)C)O 1P0034M9 [0,1,0,0,1,0|1,0,1]=4 2162 B10R1.13 OB(c1ccc(cc1)Cl)O 1P0034GY [0,1,0,0,1,0|1,0,1]=4 2163 B10R1.13 OB(c1ccc(cc1)F)O 1P00256J [0,1,0,0,1,0|1,0,1]=4 2164 B10R1.13 OB(c1ccc(cc1)I)O 1P0034JL [0,1,0,0,1,0|1,0,1]=4 2165 B10R1.13 OB(c1ccc(cc1)N)O 1P003L7J [0,1,0,0,1,0|1,0,1]=4 2166 B10R1.13 OB(c1ccc(cc1)N)O 1P00897W [0,1,0,0,1,0|1,0,1]=4 2167 B10R1.13 OB(c1ccc(cc1)S)O 1P00I51V [0,1,0,0,1,0|1,0,1]=4 2168 B10R1.13 OC(=O)c1c[nH]c(=O)cn1 1P005PT2 [0,1,0,0,1,0|2,0,0]=4 2169 B10R1.13 OC(=O)c1cc[n+](cc1)[O-] 1P003UJ9 [0,1,0,0,1,0|1,0,0]=3 2170 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 1P003NPH [0,1,0,0,1,0|1,0,0]=3 2171 B10R1.13 OC(=O)c1ccc(=S)[nH]c1 1P0024ZV [0,1,0,0,1,0|1,0,0]=3 2172 B10R1.13 OC(=O)c1ccc(cc1)Br 1P0034ET [0,1,0,0,1,0|0,0,0]=2 2173 B10R1.13 OC(=O)c1ccc(cc1)C 1P003MJ8 [0,1,0,0,1,0|0,0,0]=2 2174 B10R1.13 OC(=O)c1ccc(cc1)Cl 1P003LNA [0,1,0,0,1,0|0,0,0]=2 2175 B10R1.13 OC(=O)c1ccc(cc1)F 1P0034I1 [0,1,0,0,1,0|0,0,0]=2 2176 B10R1.13 OC(=O)c1ccc(cc1)I 1P003M1C [0,1,0,0,1,0|0,0,0]=2 2177 B10R1.13 OC(=O)c1ccc(cc1)N 1P0034D8 [0,1,0,0,1,0|0,0,0]=2 2178 B10R1.13 OC(=O)c1ccc(cc1)N 1P00BC4F [0,1,0,0,1,0|0,0,0]=2 2179 B10R1.13 OC(=O)c1ccc(cc1)S 1P0034JT [0,1,0,0,1,0|0,0,0]=2 2180 B10R1.13 OC(=O)c1ccc(nn1)Br 1P00EGCW [0,1,0,0,1,0|2,0,0]=4 2181 B10R1.13 OC(=O)c1ccc(nn1)Cl 1P0034TJ [0,1,0,0,1,0|2,0,0]=4 2182 B10R1.13 OC(=O)c1cnc(cn1)Br 1P004M79 [0,1,0,0,1,0|2,0,0]=4 2183 B10R1.13 OC(=O)c1cnc(cn1)Cl 1P003N5F [0,1,0,0,1,0|2,0,0]=4 2184 B10R1.13 OC(=O)c1cnc(cn1)S 1P028V4X [0,1,0,0,1,0|2,0,0]=4 2185 B10R1.13 OC(=O)c1cnc(nc1)Br 1P00HH7H [0,1,0,0,1,0|2,0,0]=4 2186 B10R1.13 OC(=O)c1cnc(nc1)C 1P003I72 [0,1,0,0,1,0|2,0,0]=4 2187 B10R1.13 OC(=O)c1cnc(nc1)Cl 1P00BZDR [0,1,0,0,1,0|2,0,0]=4 2188 B10R1.13 OC(=O)c1cnc(nc1)N 1P0033L5 [0,1,0,0,1,0|2,0,0]=4 2189 B10R1.13 OC(=O)c1cnc(nc1)S 1P028GK8 [0,1,0,0,1,0|2,0,0]=4 2190 B10R1.13 OC(=O)c1ncc(cn1)Br 1P003N1M [0,1,0,0,1,0|2,0,0]=4 2191 B10R1.13 OC(=O)c1ncc(cn1)C 1P006OOY [0,1,0,0,1,0|2,0,0]=4 2192 B10R1.13 OC(=O)c1ncc(cn1)Cl 1P007B7F [0,1,0,0,1,0|2,0,0]=4 2193 B10R1.13 OC(=O)c1ncc(cn1)F 1P000PR7 [0,1,0,0,1,0|2,0,0]=4 2194 B10R1.13 OC(=O)c1ncc(cn1)N 1P00EFVX [0,1,0,0,1,0|2,0,0]=4 2195 B10R1.13 Oc1ccc(cc1)B(O)O 1P0034J4 [0,1,0,0,1,0|1,0,1]=4 2196 B10R1.13 Oc1ccc(cc1)C(=O)O 1P0034IR [0,1,0,0,1,0|0,0,0]=2 2197 B10R1.13 Oc1ccc(cc1)C(O)C 1P00BCJG [0,1,0,0,1,0|1,0,1]=4 2198 B10R1.13 Oc1ccc(cc1)[C@@H](O)C 1P01AV7H [0,1,0,0,1,0|1,0,1]=4 2199 B10R1.13 Oc1ccc(cc1)[C@H](O)C 1P01AV7P [0,1,0,0,1,0|1,0,1]=4 2200 B10R1.13 Oc1ccc(cn1)C(=O)C 1P008ZI1 [0,1,0,0,1,0|2,0,0]=4 2201 B10R1.13 Oc1ccc(cn1)C(=O)N 1P00C74F [0,1,0,0,1,0|2,0,0]=4 2202 B10R1.13 Oc1ccc(nc1)C(=O)C 1P00FGUG [0,1,0,0,1,0|2,0,0]=4 2203 B10R1.13 Oc1ccc(nc1)C(=O)N 1P003WOP [0,1,0,0,1,0|2,0,0]=4 2204 B10R1.13 Oc1ccc(nc1)C(=O)O 1P000PO9 [0,1,0,0,1,0|1,0,0]=3 2205 B10R1.13 Oc1ccc(nc1)C(=O)O 1P001N9V [0,1,0,0,1,0|1,0,0]=3 2206 B10R1.13 Oc1ccc(nc1)C(=O)O 1P01DLAX [0,1,0,0,1,0|1,0,0]=3 2207 B10R1.13 Oc1ccc(nn1)C(=O)O 1P003NP6 [0,1,0,0,1,0|2,0,0]=4 2208 B10R1.13 Oc1ccc(nn1)C(=O)O 1P003NP7 [0,1,0,0,1,0|2,0,0]=4 2209 B10R1.13 Oc1ccc(nn1)C(=O)O 1P01D9LI [0,1,0,0,1,0|2,0,0]=4 2210 B10R1.13 Oc1cnc(cn1)C(=O)O 1P00BZZO [0,1,0,0,1,0|2,0,0]=4 2211 B10R1.13 Oc1ncc(cn1)C(=O)O 1P00BYY1 [0,1,0,0,1,0|2,0,0]=4 2212 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] 1P003MDH [0,1,0,0,1,0|1,0,1]=4 2213 B10R1.13 Sc1ccc(cn1)C(=O)O 1P003NPT [0,1,0,0,1,0|1,0,0]=3 2214 B10R1.13 Sc1ccc(nc1)C(=O)O 1P028GIB [0,1,0,0,1,0|1,0,0]=3 2215 B10R1.13 [O-]C(=O)c1ccc(cc1)F 1P00DA0O [0,1,0,0,1,0|0,0,1]=3 2216 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P00189I [0,1,0,0,1,0|0,0,1]=3 2217 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P001LZJ [0,1,0,0,1,0|0,0,1]=3 2218 B10R1.13 [O-]C(=O)c1ccc(cc1)N 1P003L7N [0,1,0,0,1,0|0,0,1]=3 2219 B10R1.13 [O-]C(=O)c1ccc(cc1)O 1P000AQV [0,1,0,0,1,0|0,0,1]=3 2220 B10R1.13 [O-]c1ccc(cc1)[N+](=O)[O-] 1P003MCD [0,1,0,0,1,0|1,0,1]=4 2221 B10R1.28 BrS(=O)(=O)c1ccccc1 1P002M7T [0,1,0,0,1,0|1,0,1]=4 2222 B10R1.28 CC(c1ccccc1)(O)C 1P003IBQ [0,1,0,0,1,0|1,0,1]=4 2223 B10R1.28 CP(=O)(c1ccccc1)C 1P01PGUE [0,1,0,0,1,0|2,0,0]=4 2224 B10R1.28 CP(=O)(c1ccccc1)Cl 1P003SKW [0,1,0,0,1,0|2,0,0]=4 2225 B10R1.28 CS(=O)(=N)c1ccccc1 1P00E023 [0,1,0,0,1,0|2,0,0]=4 2226 B10R1.28 CS(=O)(=O)c1ccccc1 1P0032MP [0,1,0,0,1,0|1,0,1]=4 2227 B10R1.28 C[S@@](=O)(=N)c1ccccc1 1P003CYS [0,1,0,0,1,0|2,0,0]=4 2228 B10R1.28 C[Si](c1ccccc1)(O)C 1P003Q46 [0,1,0,0,1,0|1,1,0]=4 2229 B10R1.28 ClP(=O)(c1ccccc1)Cl 1P0036VZ [0,1,0,0,1,0|2,0,0]=4 2230 B10R1.28 ClS(=O)(=O)c1ccccc1 1P001UZA [0,1,0,0,1,0|1,0,1]=4 2231 B10R1.28 ClS(=O)(=O)c1ccccc1 1P003OHS [0,1,0,0,1,0|1,0,1]=4 2232 B10R1.28 FS(=O)(=O)c1ccccc1 1P003OHV [0,1,0,0,1,0|1,0,1]=4 2233 B10R1.28 IS(=O)(=O)c1ccccc1 1P028OQQ [0,1,0,0,1,0|1,0,1]=4 2234 B10R1.28 NP(=O)(c1ccccc1)N 1P00DT3N [0,1,0,0,1,0|2,0,0]=4 2235 B10R1.28 NS(=O)(=O)c1ccccc1 1P0034YD [0,1,0,0,1,0|1,0,1]=4 2236 B10R1.28 O=S(C1=CC=CC=C1)(N)=N 1P01K4LQ [0,1,0,0,1,0|2,0,0]=4 2237 B10R1.28 OP(=O)(c1ccccc1)O 1P001POC [0,1,0,0,1,0|1,0,0]=3 2238 B10R1.28 OS(=O)(=O)c1ccccc1 1P002SCX [0,1,0,0,1,0|1,0,0]=3 2239 B10R1.28 OS(=O)(=O)c1ccccc1 1P003OHO [0,1,0,0,1,0|1,0,0]=3 2240 B10R1.28 OS(=O)(=O)c1ccccc1 1P003OHP [0,1,0,0,1,0|1,0,0]=3 2241 B10R1.28 OS(=O)(=O)c1ccccc1 1P00756N [0,1,0,0,1,0|1,0,0]=3 2242 B10R1.28 OS(=O)(=O)c1ccccn1 1P001NI2 [0,1,0,0,1,0|2,0,0]=4 2243 B10R1.28 OS(=O)(=O)c1cccnc1 1P00348T [0,1,0,0,1,0|2,0,0]=4 2244 B10R1.28 OS(=O)(=O)c1ccncc1 1P00DDCT [0,1,0,0,1,0|2,0,0]=4 2245 B10R1.28 [O-]P(=O)(c1ccccc1)[O-] 1P002R3V [0,1,0,0,1,0|1,0,1]=4 2246 B10R1.28 [O-]S(=O)(=O)c1ccccc1 1P0035VA [0,1,0,0,1,0|1,0,1]=4 2247 B10R1.28 [O-]S(=O)(=O)c1ccccc1 1P003OHQ [0,1,0,0,1,0|1,0,1]=4 2248 B10R1.28 [O-]S(=S)(=O)c1ccccc1 1P002HMU [0,1,0,0,1,0|1,0,1]=4 2249 B10R1.61 CC(=C)c1ccccc1Br 1P005H4B [0,1,0,0,1,0|2,0,0]=4 2250 B10R1.61 CC(=C)c1ccccc1F 1P01ACS1 [0,1,0,0,1,0|2,0,0]=4 2251 B10R1.61 CC(=C)c1ccccc1I 1P01GLJL [0,1,0,0,1,0|2,0,0]=4 2252 B10R1.61 CC(=C)c1ccccc1N 1P00DF51 [0,1,0,0,1,0|2,0,0]=4 2253 B10R1.61 CC(=O)c1c[nH]ccc1=O 1P00CYEH [0,1,0,0,1,0|2,0,0]=4 2254 B10R1.61 CC(=O)c1ccc[nH]c1=O 1P00EG1P [0,1,0,0,1,0|2,0,0]=4 2255 B10R1.61 CC(=O)c1ccccc1Br 1P00I4LL [0,1,0,0,1,0|1,0,0]=3 2256 B10R1.61 CC(=O)c1ccccc1C 1P003I51 [0,1,0,0,1,0|1,0,0]=3 2257 B10R1.61 CC(=O)c1ccccc1Cl 1P0033J6 [0,1,0,0,1,0|1,0,0]=3 2258 B10R1.61 CC(=O)c1ccccc1F 1P003GQQ [0,1,0,0,1,0|1,0,0]=3 2259 B10R1.61 CC(=O)c1ccccc1I 1P0033TR [0,1,0,0,1,0|1,0,0]=3 2260 B10R1.61 CC(=O)c1ccccc1N 1P0033KO [0,1,0,0,1,0|1,0,0]=3 2261 B10R1.61 CC(=O)c1ccccc1N 1P003GQI [0,1,0,0,1,0|1,0,0]=3 2262 B10R1.61 CC(=O)c1ccccc1O 1P0033TC [0,1,0,0,1,0|1,0,0]=3 2263 B10R1.61 CC(=O)c1ccccc1S 1P00BFT3 [0,1,0,0,1,0|1,0,0]=3 2264 B10R1.61 CC(=O)c1cccnc1Br 1P004PFL [0,1,0,0,1,0|2,0,0]=4 2265 B10R1.61 CC(=O)c1cccnc1C 1P00APS4 [0,1,0,0,1,0|2,0,0]=4 2266 B10R1.61 CC(=O)c1cccnc1Cl 1P003413 [0,1,0,0,1,0|2,0,0]=4 2267 B10R1.61 CC(=O)c1cccnc1F 1P0058LW [0,1,0,0,1,0|2,0,0]=4 2268 B10R1.61 CC(=O)c1cccnc1N 1P003DA0 [0,1,0,0,1,0|2,0,0]=4 2269 B10R1.61 CC(=O)c1ccncc1Br 1P007C19 [0,1,0,0,1,0|2,0,0]=4 2270 B10R1.61 CC(=O)c1ccncc1C 1P00G65L [0,1,0,0,1,0|2,0,0]=4 2271 B10R1.61 CC(=O)c1ccncc1Cl 1P005PZQ [0,1,0,0,1,0|2,0,0]=4 2272 B10R1.61 CC(=O)c1ccncc1F 1P003L35 [0,1,0,0,1,0|2,0,0]=4 2273 B10R1.61 CC(=O)c1ccncc1N 1P0010P1 [0,1,0,0,1,0|2,0,0]=4 2274 B10R1.61 CC(=O)c1ccncc1N 1P008V9A [0,1,0,0,1,0|2,0,0]=4 2275 B10R1.61 CC(=O)c1ccncc1O 1P00BFML [0,1,0,0,1,0|2,0,0]=4 2276 B10R1.61 CC(=O)c1cnccc1C 1P00DIDY [0,1,0,0,1,0|2,0,0]=4 2277 B10R1.61 CC(=O)c1cnccc1Cl 1P01JV6G [0,1,0,0,1,0|2,0,0]=4 2278 B10R1.61 CC(=O)c1cnccc1N 1P019U55 [0,1,0,0,1,0|2,0,0]=4 2279 B10R1.61 CC(=O)c1cnccc1N 1P0280Q1 [0,1,0,0,1,0|2,0,0]=4 2280 B10R1.61 CC(=O)c1ncccc1Br 1P0083FB [0,1,0,0,1,0|2,0,0]=4 2281 B10R1.61 CC(=O)c1ncccc1C 1P003GRM [0,1,0,0,1,0|2,0,0]=4 2282 B10R1.61 CC(=O)c1ncccc1Cl 1P0073R0 [0,1,0,0,1,0|2,0,0]=4 2283 B10R1.61 CC(=O)c1ncccc1F 1P0036MY [0,1,0,0,1,0|2,0,0]=4 2284 B10R1.61 CC(=O)c1ncccc1N 1P0010P6 [0,1,0,0,1,0|2,0,0]=4 2285 B10R1.61 CC(=O)c1ncccc1O 1P0010P5 [0,1,0,0,1,0|2,0,0]=4 2286 B10R1.61 CC(c1ccccc1Br)O 1P003DA9 [0,1,0,0,1,0|1,0,1]=4 2287 B10R1.61 CC(c1ccccc1C)O 1P003DBY [0,1,0,0,1,0|1,0,1]=4 2288 B10R1.61 CC(c1ccccc1Cl)O 1P003DAM [0,1,0,0,1,0|1,0,1]=4 2289 B10R1.61 CC(c1ccccc1F)O 1P003DB1 [0,1,0,0,1,0|1,0,1]=4 2290 B10R1.61 CC(c1ccccc1N)O 1P003D9Y [0,1,0,0,1,0|1,0,1]=4 2291 B10R1.61 CC(c1ccccc1O)O 1P01DL38 [0,1,0,0,1,0|1,0,1]=4 2292 B10R1.61 CS(=O)c1ccccc1Br 1P00ICU5 [0,1,0,0,1,0|2,0,0]=4 2293 B10R1.61 CS(=O)c1ccccc1N 1P019WQG [0,1,0,0,1,0|2,0,0]=4 2294 B10R1.61 CS(=O)c1ccccc1O 1P008565 [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.61 C[C@@H](c1ccccc1Br)O 1P000EVE [0,1,0,0,1,0|1,0,1]=4 2296 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [0,1,0,0,1,0|1,0,1]=4 2297 B10R1.61 C[C@@H](c1ccccc1Cl)O 1P0010AH [0,1,0,0,1,0|1,0,1]=4 2298 B10R1.61 C[C@@H](c1ccccc1F)O 1P007UPU [0,1,0,0,1,0|1,0,1]=4 2299 B10R1.61 C[C@H](c1ccccc1Br)O 1P0058C2 [0,1,0,0,1,0|1,0,1]=4 2300 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [0,1,0,0,1,0|1,0,1]=4 2301 B10R1.61 C[C@H](c1ccccc1Cl)O 1P003CNI [0,1,0,0,1,0|1,0,1]=4 2302 B10R1.61 C[C@H](c1ccccc1F)O 1P00HZ87 [0,1,0,0,1,0|1,0,1]=4 2303 B10R1.61 C[C@H](c1ccccc1O)O 1P023PVI [0,1,0,0,1,0|1,0,1]=4 2304 B10R1.61 ClC(=O)c1ccccc1Br 1P003H8A [0,1,0,0,1,0|1,0,0]=3 2305 B10R1.61 ClC(=O)c1ccccc1C 1P003TYW [0,1,0,0,1,0|1,0,0]=3 2306 B10R1.61 ClC(=O)c1ccccc1Cl 1P003HII [0,1,0,0,1,0|1,0,0]=3 2307 B10R1.61 ClC(=O)c1ccccc1F 1P003HSA [0,1,0,0,1,0|1,0,0]=3 2308 B10R1.61 ClC(=O)c1ccccc1I 1P003HXI [0,1,0,0,1,0|1,0,0]=3 2309 B10R1.61 ClC(=O)c1cccnc1Cl 1P00I9BS [0,1,0,0,1,0|2,0,0]=4 2310 B10R1.61 ClC(=O)c1cccnc1F 1P000QAE [0,1,0,0,1,0|2,0,0]=4 2311 B10R1.61 ClC(=O)c1ccncc1Br 1P01C2FU [0,1,0,0,1,0|2,0,0]=4 2312 B10R1.61 ClS(=O)c1ccccc1Cl 1P01DZLM [0,1,0,0,1,0|2,0,0]=4 2313 B10R1.61 ClS(=O)c1ccccc1F 1P01BRL7 [0,1,0,0,1,0|2,0,0]=4 2314 B10R1.61 FC(=O)c1ccccc1F 1P01XIN5 [0,1,0,0,1,0|1,0,0]=3 2315 B10R1.61 NC(=N)c1ccccc1Br 1P00EGII [0,1,0,0,1,0|2,0,0]=4 2316 B10R1.61 NC(=N)c1ccccc1C 1P003I59 [0,1,0,0,1,0|2,0,0]=4 2317 B10R1.61 NC(=N)c1ccccc1Cl 1P003HI9 [0,1,0,0,1,0|2,0,0]=4 2318 B10R1.61 NC(=N)c1ccccc1Cl 1P00D8UO [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.61 NC(=N)c1ccccc1F 1P00E9F1 [0,1,0,0,1,0|2,0,0]=4 2320 B10R1.61 NC(=N)c1ccccc1F 1P00FGXY [0,1,0,0,1,0|2,0,0]=4 2321 B10R1.61 NC(=N)c1ccccc1F 1P01C65V [0,1,0,0,1,0|2,0,0]=4 2322 B10R1.61 NC(=N)c1ccccc1F 1P02841W [0,1,0,0,1,0|2,0,0]=4 2323 B10R1.61 NC(=N)c1ccccc1O 1P00DK4F [0,1,0,0,1,0|2,0,0]=4 2324 B10R1.61 NC(=O)c1ccccc1Br 1P00BXYL [0,1,0,0,1,0|1,0,0]=3 2325 B10R1.61 NC(=O)c1ccccc1C 1P003I57 [0,1,0,0,1,0|1,0,0]=3 2326 B10R1.61 NC(=O)c1ccccc1Cl 1P003HI8 [0,1,0,0,1,0|1,0,0]=3 2327 B10R1.61 NC(=O)c1ccccc1F 1P003HS3 [0,1,0,0,1,0|1,0,0]=3 2328 B10R1.61 NC(=O)c1ccccc1I 1P00C7AR [0,1,0,0,1,0|1,0,0]=3 2329 B10R1.61 NC(=O)c1ccccc1N 1P003GZT [0,1,0,0,1,0|1,0,0]=3 2330 B10R1.61 NC(=O)c1ccccc1O 1P003UNA [0,1,0,0,1,0|1,0,0]=3 2331 B10R1.61 NC(=O)c1ccccc1S 1P01AHBV [0,1,0,0,1,0|1,0,0]=3 2332 B10R1.61 NC(=O)c1cccnc1Br 1P004KW5 [0,1,0,0,1,0|2,0,0]=4 2333 B10R1.61 NC(=O)c1cccnc1C 1P0036DJ [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.61 NC(=O)c1cccnc1Cl 1P003HJJ [0,1,0,0,1,0|2,0,0]=4 2335 B10R1.61 NC(=O)c1cccnc1N 1P003H0N [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.61 NC(=O)c1cccnc1S 1P00E1PI [0,1,0,0,1,0|2,0,0]=4 2337 B10R1.61 NC(=O)c1ccncc1Br 1P001BRK [0,1,0,0,1,0|2,0,0]=4 2338 B10R1.61 NC(=O)c1ccncc1C 1P002QZ3 [0,1,0,0,1,0|2,0,0]=4 2339 B10R1.61 NC(=O)c1ccncc1Cl 1P0003HU [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.61 NC(=O)c1ccncc1F 1P00ACKC [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.61 NC(=O)c1ccncc1N 1P003JEB [0,1,0,0,1,0|2,0,0]=4 2342 B10R1.61 NC(=O)c1ccncc1N 1P00EAYC [0,1,0,0,1,0|2,0,0]=4 2343 B10R1.61 NC(=O)c1ccncc1N 1P01AL91 [0,1,0,0,1,0|2,0,0]=4 2344 B10R1.61 NC(=O)c1ccncc1O 1P0004LB [0,1,0,0,1,0|2,0,0]=4 2345 B10R1.61 NC(=O)c1cnccc1Br 1P027UFY [0,1,0,0,1,0|2,0,0]=4 2346 B10R1.61 NC(=O)c1cnccc1C 1P005T1X [0,1,0,0,1,0|2,0,0]=4 2347 B10R1.61 NC(=O)c1cnccc1Cl 1P005DUV [0,1,0,0,1,0|2,0,0]=4 2348 B10R1.61 NC(=O)c1cnccc1N 1P00FCTF [0,1,0,0,1,0|2,0,0]=4 2349 B10R1.61 NC(=O)c1cnccc1O 1P00FFRW [0,1,0,0,1,0|2,0,0]=4 2350 B10R1.61 NC(=O)c1ncccc1Br 1P00CJQP [0,1,0,0,1,0|2,0,0]=4 2351 B10R1.61 NC(=O)c1ncccc1C 1P00GT5N [0,1,0,0,1,0|2,0,0]=4 2352 B10R1.61 NC(=O)c1ncccc1Cl 1P000AYW [0,1,0,0,1,0|2,0,0]=4 2353 B10R1.61 NC(=O)c1ncccc1N 1P00D8IG [0,1,0,0,1,0|2,0,0]=4 2354 B10R1.61 NC(=O)c1ncccc1O 1P003K1J [0,1,0,0,1,0|2,0,0]=4 2355 B10R1.61 NC(=S)c1ccccc1Br 1P003H9S [0,1,0,0,1,0|1,1,0]=4 2356 B10R1.61 NC(=S)c1ccccc1C 1P00D8TE [0,1,0,0,1,0|1,1,0]=4 2357 B10R1.61 NC(=S)c1ccccc1Cl 1P001PQE [0,1,0,0,1,0|1,1,0]=4 2358 B10R1.61 NC(=S)c1ccccc1F 1P005TSU [0,1,0,0,1,0|1,1,0]=4 2359 B10R1.61 NC(=S)c1ccccc1N 1P002OYJ [0,1,0,0,1,0|1,1,0]=4 2360 B10R1.61 NC(=S)c1ccccc1O 1P005VU3 [0,1,0,0,1,0|1,1,0]=4 2361 B10R1.61 NC(=S)c1ccccc1S 1P0286LO [0,1,0,0,1,0|1,1,0]=4 2362 B10R1.61 O=N(=O)c1ccccc1C 1P003IA0 [0,1,0,0,1,0|1,0,1]=4 2363 B10R1.61 O=N(=O)c1ccccc1Cl 1P00IKVH [0,1,0,0,1,0|1,0,1]=4 2364 B10R1.61 O=N(=O)c1ccccc1N 1P003TY5 [0,1,0,0,1,0|1,0,1]=4 2365 B10R1.61 O=N(=O)c1ccccc1O 1P003TY6 [0,1,0,0,1,0|1,0,1]=4 2366 B10R1.61 OB(c1ccccc1Br)O 1P003H9F [0,1,0,0,1,0|1,0,1]=4 2367 B10R1.61 OB(c1ccccc1C)O 1P001V6E [0,1,0,0,1,0|1,0,1]=4 2368 B10R1.61 OB(c1ccccc1Cl)O 1P0033Q8 [0,1,0,0,1,0|1,0,1]=4 2369 B10R1.61 OB(c1ccccc1F)O 1P002CIJ [0,1,0,0,1,0|1,0,1]=4 2370 B10R1.61 OB(c1ccccc1I)O 1P0003EI [0,1,0,0,1,0|1,0,1]=4 2371 B10R1.61 OB(c1ccccc1N)O 1P004QFZ [0,1,0,0,1,0|1,0,1]=4 2372 B10R1.61 OB(c1ccccc1O)O 1P003HWL [0,1,0,0,1,0|1,0,1]=4 2373 B10R1.61 OC(=O)C1C=CC=NC1=O 1P01KLDR [0,1,0,0,1,0|1,0,1]=4 2374 B10R1.61 OC(=O)c1cccc[n+]1[O-] 1P003U8Q [0,1,0,0,1,0|1,0,0]=3 2375 B10R1.61 OC(=O)c1ccccc1Br 1P0033MS [0,1,0,0,1,0|0,0,0]=2 2376 B10R1.61 OC(=O)c1ccccc1C 1P0035WF [0,1,0,0,1,0|0,0,0]=2 2377 B10R1.61 OC(=O)c1ccccc1Cl 1P003HIE [0,1,0,0,1,0|0,0,0]=2 2378 B10R1.61 OC(=O)c1ccccc1F 1P003HS6 [0,1,0,0,1,0|0,0,0]=2 2379 B10R1.61 OC(=O)c1ccccc1I 1P00IFBA [0,1,0,0,1,0|0,0,0]=2 2380 B10R1.61 OC(=O)c1ccccc1O 1P0072Q7 [0,1,0,0,1,0|0,0,0]=2 2381 B10R1.61 OC(=O)c1ccccc1O 1P00GA1V [0,1,0,0,1,0|0,0,0]=2 2382 B10R1.61 OC(=O)c1cccnc1Br 1P007DQN [0,1,0,0,1,0|1,0,0]=3 2383 B10R1.61 OC(=O)c1cccnc1C 1P003I6J [0,1,0,0,1,0|1,0,0]=3 2384 B10R1.61 OC(=O)c1cccnc1C 1P007Q5X [0,1,0,0,1,0|1,0,0]=3 2385 B10R1.61 OC(=O)c1cccnc1Cl 1P002YTC [0,1,0,0,1,0|1,0,0]=3 2386 B10R1.61 OC(=O)c1cccnc1F 1P003HSN [0,1,0,0,1,0|1,0,0]=3 2387 B10R1.61 OC(=O)c1cccnc1I 1P00EGNX [0,1,0,0,1,0|1,0,0]=3 2388 B10R1.61 OC(=O)c1cccnc1N 1P0033L3 [0,1,0,0,1,0|1,0,0]=3 2389 B10R1.61 OC(=O)c1cccnc1O 1P0033TM [0,1,0,0,1,0|1,0,0]=3 2390 B10R1.61 OC(=O)c1cccnc1S 1P003HZ1 [0,1,0,0,1,0|1,0,0]=3 2391 B10R1.61 OC(=O)c1ccn[nH]c1=O 1P00348K [0,1,0,0,1,0|2,0,0]=4 2392 B10R1.61 OC(=O)c1ccncc1Br 1P001BSI [0,1,0,0,1,0|1,0,0]=3 2393 B10R1.61 OC(=O)c1ccncc1C 1P0039KX [0,1,0,0,1,0|1,0,0]=3 2394 B10R1.61 OC(=O)c1ccncc1C 1P00ELDZ [0,1,0,0,1,0|1,0,0]=3 2395 B10R1.61 OC(=O)c1ccncc1Cl 1P008AMD [0,1,0,0,1,0|1,0,0]=3 2396 B10R1.61 OC(=O)c1ccncc1F 1P003JYI [0,1,0,0,1,0|1,0,0]=3 2397 B10R1.61 OC(=O)c1ccncc1I 1P00E99I [0,1,0,0,1,0|1,0,0]=3 2398 B10R1.61 OC(=O)c1ccncc1N 1P003JEC [0,1,0,0,1,0|1,0,0]=3 2399 B10R1.61 OC(=O)c1ccncc1O 1P0004LD [0,1,0,0,1,0|1,0,0]=3 2400 B10R1.61 OC(=O)c1ccncc1S 1P002331 [0,1,0,0,1,0|1,0,0]=3 2401 B10R1.61 OC(=O)c1ccnnc1C 1P00II15 [0,1,0,0,1,0|2,0,0]=4 2402 B10R1.61 OC(=O)c1ccnnc1Cl 1P0007O6 [0,1,0,0,1,0|2,0,0]=4 2403 B10R1.61 OC(=O)c1ccnnc1N 1P002LSA [0,1,0,0,1,0|2,0,0]=4 2404 B10R1.61 OC(=O)c1ccnnc1S 1P01C250 [0,1,0,0,1,0|2,0,0]=4 2405 B10R1.61 OC(=O)c1cnc[nH]c1=O 1P00FCM6 [0,1,0,0,1,0|2,0,0]=4 2406 B10R1.61 OC(=O)c1cnccc1Br 1P003875 [0,1,0,0,1,0|1,0,0]=3 2407 B10R1.61 OC(=O)c1cnccc1C 1P003M9A [0,1,0,0,1,0|1,0,0]=3 2408 B10R1.61 OC(=O)c1cnccc1C 1P00GSON [0,1,0,0,1,0|1,0,0]=3 2409 B10R1.61 OC(=O)c1cnccc1Cl 1P0005WO [0,1,0,0,1,0|1,0,0]=3 2410 B10R1.61 OC(=O)c1cnccc1F 1P007K8H [0,1,0,0,1,0|1,0,0]=3 2411 B10R1.61 OC(=O)c1cnccc1I 1P01FJ5J [0,1,0,0,1,0|1,0,0]=3 2412 B10R1.61 OC(=O)c1cnccc1N 1P003L8E [0,1,0,0,1,0|1,0,0]=3 2413 B10R1.61 OC(=O)c1cnccc1O 1P003M09 [0,1,0,0,1,0|1,0,0]=3 2414 B10R1.61 OC(=O)c1cnccc1S 1P002333 [0,1,0,0,1,0|1,0,0]=3 2415 B10R1.61 OC(=O)c1cncnc1C 1P001PV1 [0,1,0,0,1,0|2,0,0]=4 2416 B10R1.61 OC(=O)c1cncnc1Cl 1P00GVDA [0,1,0,0,1,0|2,0,0]=4 2417 B10R1.61 OC(=O)c1cncnc1N 1P002JH7 [0,1,0,0,1,0|2,0,0]=4 2418 B10R1.61 OC(=O)c1cnncc1C 1P0095BV [0,1,0,0,1,0|2,0,0]=4 2419 B10R1.61 OC(=O)c1cnncc1C 1P028E7P [0,1,0,0,1,0|2,0,0]=4 2420 B10R1.61 OC(=O)c1cnncc1N 1P00712X [0,1,0,0,1,0|2,0,0]=4 2421 B10R1.61 OC(=O)c1cnncc1O 1P01AUXL [0,1,0,0,1,0|2,0,0]=4 2422 B10R1.61 OC(=O)c1n[nH]ccc1=O 1P01A4WY [0,1,0,0,1,0|2,0,0]=4 2423 B10R1.61 OC(=O)c1ncc[nH]c1=O 1P002JH6 [0,1,0,0,1,0|2,0,0]=4 2424 B10R1.61 OC(=O)c1ncccc1Br 1P00319D [0,1,0,0,1,0|1,0,0]=3 2425 B10R1.61 OC(=O)c1ncccc1C 1P000LL7 [0,1,0,0,1,0|1,0,0]=3 2426 B10R1.61 OC(=O)c1ncccc1C 1P003488 [0,1,0,0,1,0|1,0,0]=3 2427 B10R1.61 OC(=O)c1ncccc1Cl 1P003JRZ [0,1,0,0,1,0|1,0,0]=3 2428 B10R1.61 OC(=O)c1ncccc1F 1P006UT0 [0,1,0,0,1,0|1,0,0]=3 2429 B10R1.61 OC(=O)c1ncccc1I 1P005WO7 [0,1,0,0,1,0|1,0,0]=3 2430 B10R1.61 OC(=O)c1ncccc1N 1P001E9I [0,1,0,0,1,0|1,0,0]=3 2431 B10R1.61 OC(=O)c1ncccc1O 1P00DBOF [0,1,0,0,1,0|1,0,0]=3 2432 B10R1.61 OC(=O)c1ncccc1S 1P00C9IZ [0,1,0,0,1,0|1,0,0]=3 2433 B10R1.61 OC(=O)c1nccnc1Br 1P00H1EL [0,1,0,0,1,0|2,0,0]=4 2434 B10R1.61 OC(=O)c1nccnc1C 1P003485 [0,1,0,0,1,0|2,0,0]=4 2435 B10R1.61 OC(=O)c1nccnc1Cl 1P003JS8 [0,1,0,0,1,0|2,0,0]=4 2436 B10R1.61 OC(=O)c1nccnc1F 1P01OMF7 [0,1,0,0,1,0|2,0,0]=4 2437 B10R1.61 OC(=O)c1nccnc1I 1P007P3R [0,1,0,0,1,0|2,0,0]=4 2438 B10R1.61 OC(=O)c1nccnc1N 1P003JEP [0,1,0,0,1,0|2,0,0]=4 2439 B10R1.61 OC(=O)c1nccnc1S 1P01ANEF [0,1,0,0,1,0|2,0,0]=4 2440 B10R1.61 OC(=O)c1ncncc1Br 1P0037F5 [0,1,0,0,1,0|2,0,0]=4 2441 B10R1.61 OC(=O)c1ncncc1C 1P00II0M [0,1,0,0,1,0|2,0,0]=4 2442 B10R1.61 OC(=O)c1ncncc1Cl 1P00EKD0 [0,1,0,0,1,0|2,0,0]=4 2443 B10R1.61 OC(=O)c1ncncc1F 1P0092A9 [0,1,0,0,1,0|2,0,0]=4 2444 B10R1.61 OC(=O)c1ncncc1N 1P00EB8C [0,1,0,0,1,0|2,0,0]=4 2445 B10R1.61 OC(=O)c1nnccc1C 1P00BGLQ [0,1,0,0,1,0|2,0,0]=4 2446 B10R1.61 OC(=O)c1nnccc1C 1P028XRQ [0,1,0,0,1,0|2,0,0]=4 2447 B10R1.61 OC(=S)c1ccccc1O 1P006V4J [0,1,0,0,1,0|0,1,0]=3 2448 B10R1.61 [O-]C(=O)c1ccccc1Cl 1P00APO5 [0,1,0,0,1,0|0,0,1]=3 2449 B10R1.61 [O-]C(=O)c1ccccc1F 1P006WEJ [0,1,0,0,1,0|0,0,1]=3 2450 B10R1.61 [O-]C(=O)c1ccccc1O 1P002IGB [0,1,0,0,1,0|0,0,1]=3 2451 B10R1.61 [O-]C(=O)c1ccccc1O 1P00352J [0,1,0,0,1,0|0,0,1]=3 2452 B10R1.61 [O-]C(=O)c1ccccc1O 1P003OC6 [0,1,0,0,1,0|0,0,1]=3 2453 B10R1.61 [O-]C(=O)c1ccccc1O 1P003RSL [0,1,0,0,1,0|0,0,1]=3 2454 B10R1.61 [O-]C(=O)c1ccccc1O 1P003UUP [0,1,0,0,1,0|0,0,1]=3 2455 B10R1.61 [O-]C(=O)c1ccccc1O 1P00IAR4 [0,1,0,0,1,0|0,0,1]=3 2456 B10R1.61 [O-]C(=O)c1ccccc1S 1P003V9F [0,1,0,0,1,0|0,0,1]=3 2457 B10R1.61 [O-]C(=O)c1ncccc1Br 1P008VJH [0,1,0,0,1,0|1,0,1]=4 2458 B10R1.61 [O-]C(=O)c1ncccc1O 1P00IEYX [0,1,0,0,1,0|1,0,1]=4 2459 B10R1.61 [O-]S(=O)c1ccccc1Br 1P01C8NU [0,1,0,0,1,0|1,0,1]=4 2460 B10R1.61 [O-]S(=O)c1ccccc1C 1P00B5ML [0,1,0,0,1,0|1,0,1]=4 2461 B10R1.61 [O-]S(=O)c1ccccc1C 1P028LVY [0,1,0,0,1,0|1,0,1]=4 2462 B10R1.61 [O-]S(=O)c1ccccc1Cl 1P001RKU [0,1,0,0,1,0|1,0,1]=4 2463 B10R1.61 [O-]S(=O)c1ccccc1F 1P01BEXE [0,1,0,0,1,0|1,0,1]=4 2464 B10R1.61 [O-][N+](=O)c1ccccc1Br 1P00380N [0,1,0,0,1,0|1,0,1]=4 2465 B10R1.61 [O-][N+](=O)c1ccccc1F 1P001M0Y [0,1,0,0,1,0|1,0,1]=4 2466 B10R1.61 [O-][N+](=O)c1ccccc1N 1P001RAI [0,1,0,0,1,0|1,0,1]=4 2467 B10R1.61 [O-][N+](=O)c1ccccc1S 1P003A8J [0,1,0,0,1,0|1,0,1]=4 2468 B10R1.61 [O-][N+](=O)c1ccccc1[O-] 1P003BQ2 [0,1,0,0,1,0|1,0,1]=4 2469 B10R1.113 Brc1cccc(c1)B(O)O 1P00343N [0,1,0,0,1,0|1,0,1]=4 2470 B10R1.113 Brc1cccc(c1)C(=C)C 1P01DFHU [0,1,0,0,1,0|2,0,0]=4 2471 B10R1.113 Brc1cccc(c1)C(=C)F 1P01KJDN [0,1,0,0,1,0|2,0,0]=4 2472 B10R1.113 Brc1cccc(c1)C(=N)N 1P002SCY [0,1,0,0,1,0|2,0,0]=4 2473 B10R1.113 Brc1cccc(c1)C(=N)N 1P00385V [0,1,0,0,1,0|2,0,0]=4 2474 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [0,1,0,0,1,0|1,0,0]=3 2475 B10R1.113 Brc1cccc(c1)C(=O)Cl 1P003JKS [0,1,0,0,1,0|1,0,0]=3 2476 B10R1.113 Brc1cccc(c1)C(=O)N 1P003JKP [0,1,0,0,1,0|1,0,0]=3 2477 B10R1.113 Brc1cccc(c1)C(=O)O 1P00343E [0,1,0,0,1,0|0,0,0]=2 2478 B10R1.113 Brc1cccc(c1)C(=S)N 1P003JM0 [0,1,0,0,1,0|1,1,0]=4 2479 B10R1.113 Brc1cccc(c1)C(O)C 1P003DD6 [0,1,0,0,1,0|1,0,1]=4 2480 B10R1.113 Brc1cccc(c1)S(=O)C 1P00I61D [0,1,0,0,1,0|2,0,0]=4 2481 B10R1.113 Brc1cccc(c1)S(=O)[O-] 1P0087RC [0,1,0,0,1,0|1,0,1]=4 2482 B10R1.113 Brc1cccc(c1)[C@@H](O)C 1P009B9B [0,1,0,0,1,0|1,0,1]=4 2483 B10R1.113 Brc1cccc(c1)[C@H](O)C 1P00HTTB [0,1,0,0,1,0|1,0,1]=4 2484 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] 1P00IAUX [0,1,0,0,1,0|1,0,1]=4 2485 B10R1.113 Brc1cccc(n1)C(=O)C 1P003GRS [0,1,0,0,1,0|2,0,0]=4 2486 B10R1.113 Brc1cccc(n1)C(=O)N 1P002RBC [0,1,0,0,1,0|2,0,0]=4 2487 B10R1.113 Brc1cccc(n1)C(=O)O 1P003NLN [0,1,0,0,1,0|1,0,0]=3 2488 B10R1.113 Brc1nccc(c1)C(=O)C 1P008GLR [0,1,0,0,1,0|2,0,0]=4 2489 B10R1.113 Brc1nccc(c1)C(=O)N 1P0037VO [0,1,0,0,1,0|2,0,0]=4 2490 B10R1.113 Brc1nccc(c1)C(=O)O 1P003H8P [0,1,0,0,1,0|1,0,0]=3 2491 B10R1.113 Brc1nccc(n1)C(=O)O 1P00HGE4 [0,1,0,0,1,0|2,0,0]=4 2492 B10R1.113 CC(=O)c1cc(Br)ccn1 1P008X5S [0,1,0,0,1,0|2,0,0]=4 2493 B10R1.113 CC(=O)c1cc(Br)cnc1 1P003JA1 [0,1,0,0,1,0|2,0,0]=4 2494 B10R1.113 CC(=O)c1cc(Cl)ccn1 1P00EAZB [0,1,0,0,1,0|2,0,0]=4 2495 B10R1.113 CC(=O)c1cc(Cl)cnc1 1P0096YV [0,1,0,0,1,0|2,0,0]=4 2496 B10R1.113 CC(=O)c1cc(F)cnc1 1P007HHH [0,1,0,0,1,0|2,0,0]=4 2497 B10R1.113 CC(=O)c1cc(N)ccn1 1P01FPBD [0,1,0,0,1,0|2,0,0]=4 2498 B10R1.113 CC(=O)c1cc(O)cnc1 1P00H2TX [0,1,0,0,1,0|2,0,0]=4 2499 B10R1.113 CC(=O)c1cc[nH]c(=O)c1 1P0087BW [0,1,0,0,1,0|2,0,0]=4 2500 B10R1.113 C[n+]1cc(ncc1)C(=O)O 1P01F00X [0,1,0,0,1,0|2,0,0]=4 2501 B10R1.113 C[n+]1cccc(c1)C(=O)N 1P0002MF [0,1,0,0,1,0|2,0,0]=4 2502 B10R1.113 C[n+]1cccc(c1)C(=O)O 1P003VJ9 [0,1,0,0,1,0|1,0,0]=3 2503 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] 1P003A9A [0,1,0,0,1,0|1,0,1]=4 2504 B10R1.113 Cc1cc(cnc1)C(=O)N 1P003ND0 [0,1,0,0,1,0|2,0,0]=4 2505 B10R1.113 Cc1cc(cnc1)C(=O)O 1P003ND1 [0,1,0,0,1,0|1,0,0]=3 2506 B10R1.113 Cc1cc(cnn1)C(=O)O 1P00HCMQ [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.113 Cc1cc(cnn1)C(=O)O 1P01AGKY [0,1,0,0,1,0|2,0,0]=4 2508 B10R1.113 Cc1cc(ncc1)C(=O)O 1P0036FE [0,1,0,0,1,0|1,0,0]=3 2509 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0019VD [0,1,0,0,1,0|2,0,0]=4 2510 B10R1.113 Cc1cc(ncn1)C(=O)O 1P0293TC [0,1,0,0,1,0|2,0,0]=4 2511 B10R1.113 Cc1cccc(c1)B(O)O 1P0027EH [0,1,0,0,1,0|1,0,1]=4 2512 B10R1.113 Cc1cccc(c1)C(=C)C 1P003RUW [0,1,0,0,1,0|2,0,0]=4 2513 B10R1.113 Cc1cccc(c1)C(=N)N 1P002J5B [0,1,0,0,1,0|2,0,0]=4 2514 B10R1.113 Cc1cccc(c1)C(=N)N 1P0075JC [0,1,0,0,1,0|2,0,0]=4 2515 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [0,1,0,0,1,0|1,0,0]=3 2516 B10R1.113 Cc1cccc(c1)C(=O)Cl 1P003SN4 [0,1,0,0,1,0|1,0,0]=3 2517 B10R1.113 Cc1cccc(c1)C(=O)N 1P003K78 [0,1,0,0,1,0|1,0,0]=3 2518 B10R1.113 Cc1cccc(c1)C(=O)O 1P003SN2 [0,1,0,0,1,0|0,0,0]=2 2519 B10R1.113 Cc1cccc(c1)C(=S)N 1P002OEP [0,1,0,0,1,0|1,1,0]=4 2520 B10R1.113 Cc1cccc(c1)C(O)C 1P00FJ2F [0,1,0,0,1,0|1,0,1]=4 2521 B10R1.113 Cc1cccc(c1)S(=O)C 1P000ZR8 [0,1,0,0,1,0|2,0,0]=4 2522 B10R1.113 Cc1cccc(c1)S(=O)[O-] 1P00ASY9 [0,1,0,0,1,0|1,0,1]=4 2523 B10R1.113 Cc1cccc(c1)[C@@H](O)C 1P00DKFI [0,1,0,0,1,0|1,0,1]=4 2524 B10R1.113 Cc1cccc(c1)[C@H](O)C 1P00CLM5 [0,1,0,0,1,0|1,0,1]=4 2525 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 1P003A3U [0,1,0,0,1,0|1,0,1]=4 2526 B10R1.113 Cc1cccc(n1)C(=O)C 1P003GRV [0,1,0,0,1,0|2,0,0]=4 2527 B10R1.113 Cc1cccc(n1)C(=O)Cl 1P00F4ND [0,1,0,0,1,0|2,0,0]=4 2528 B10R1.113 Cc1cccc(n1)C(=O)N 1P00EMDK [0,1,0,0,1,0|2,0,0]=4 2529 B10R1.113 Cc1cccc(n1)C(=O)O 1P0034U5 [0,1,0,0,1,0|1,0,0]=3 2530 B10R1.113 Cc1ccnc(c1)C(=O)C 1P003GRN [0,1,0,0,1,0|2,0,0]=4 2531 B10R1.113 Cc1ccnc(n1)C(=O)O 1P00379X [0,1,0,0,1,0|2,0,0]=4 2532 B10R1.113 Cc1ccnc(n1)C(=O)O 1P01BGUE [0,1,0,0,1,0|2,0,0]=4 2533 B10R1.113 Cc1cncc(c1)C(=O)C 1P00CAT8 [0,1,0,0,1,0|2,0,0]=4 2534 B10R1.113 Cc1cncc(n1)C(=O)O 1P0036OU [0,1,0,0,1,0|2,0,0]=4 2535 B10R1.113 Cc1cnnc(c1)C(=O)O 1P00HGFO [0,1,0,0,1,0|2,0,0]=4 2536 B10R1.113 Cc1nccc(c1)C(=O)C 1P00BDBG [0,1,0,0,1,0|2,0,0]=4 2537 B10R1.113 Cc1nccc(c1)C(=O)N 1P00AKYZ [0,1,0,0,1,0|2,0,0]=4 2538 B10R1.113 Cc1nccc(c1)C(=O)O 1P0033UX [0,1,0,0,1,0|1,0,0]=3 2539 B10R1.113 Cc1nccc(n1)C(=O)O 1P007N4X [0,1,0,0,1,0|2,0,0]=4 2540 B10R1.113 ClC(=O)c1cc(Br)cnc1 1P003N1C [0,1,0,0,1,0|2,0,0]=4 2541 B10R1.113 Clc1cccc(c1)B(O)O 1P00344W [0,1,0,0,1,0|1,0,1]=4 2542 B10R1.113 Clc1cccc(c1)C(=C)C 1P00ATR4 [0,1,0,0,1,0|2,0,0]=4 2543 B10R1.113 Clc1cccc(c1)C(=N)N 1P003A6F [0,1,0,0,1,0|2,0,0]=4 2544 B10R1.113 Clc1cccc(c1)C(=O)Cl 1P00F3HP [0,1,0,0,1,0|1,0,0]=3 2545 B10R1.113 Clc1cccc(c1)C(=O)N 1P00E9KT [0,1,0,0,1,0|1,0,0]=3 2546 B10R1.113 Clc1cccc(c1)C(=O)O 1P003JR5 [0,1,0,0,1,0|0,0,0]=2 2547 B10R1.113 Clc1cccc(c1)C(=S)N 1P003JSG [0,1,0,0,1,0|1,1,0]=4 2548 B10R1.113 Clc1cccc(c1)C(O)C 1P003DDG [0,1,0,0,1,0|1,0,1]=4 2549 B10R1.113 Clc1cccc(c1)S(=O)[O-] 1P01BEXC [0,1,0,0,1,0|1,0,1]=4 2550 B10R1.113 Clc1cccc(c1)[C@@H](O)C 1P009BSV [0,1,0,0,1,0|1,0,1]=4 2551 B10R1.113 Clc1cccc(c1)[C@H](O)C 1P000QTO [0,1,0,0,1,0|1,0,1]=4 2552 B10R1.113 Clc1cccc(c1)[N+](=O)[O-] 1P007Q6W [0,1,0,0,1,0|1,0,1]=4 2553 B10R1.113 Clc1cccc(n1)C(=O)C 1P00APS1 [0,1,0,0,1,0|2,0,0]=4 2554 B10R1.113 Clc1cccc(n1)C(=O)Cl 1P0055OQ [0,1,0,0,1,0|2,0,0]=4 2555 B10R1.113 Clc1cccc(n1)C(=O)N 1P0067G9 [0,1,0,0,1,0|2,0,0]=4 2556 B10R1.113 Clc1cccc(n1)C(=O)O 1P00I91Z [0,1,0,0,1,0|1,0,0]=3 2557 B10R1.113 Clc1ccnc(c1)C(=O)Cl 1P00DEPJ [0,1,0,0,1,0|2,0,0]=4 2558 B10R1.113 Clc1cncc(c1)C(=O)Cl 1P004PP2 [0,1,0,0,1,0|2,0,0]=4 2559 B10R1.113 Clc1cnnc(c1)C(=O)O 1P00A0QP [0,1,0,0,1,0|2,0,0]=4 2560 B10R1.113 Clc1nccc(c1)C(=O)C 1P003HDL [0,1,0,0,1,0|2,0,0]=4 2561 B10R1.113 Clc1nccc(c1)C(=O)Cl 1P003HJ8 [0,1,0,0,1,0|2,0,0]=4 2562 B10R1.113 Clc1nccc(c1)C(=O)N 1P0003HM [0,1,0,0,1,0|2,0,0]=4 2563 B10R1.113 Clc1nccc(c1)C(=O)O 1P003HAQ [0,1,0,0,1,0|1,0,0]=3 2564 B10R1.113 Clc1nccc(n1)C(=O)O 1P001MIA [0,1,0,0,1,0|2,0,0]=4 2565 B10R1.113 Fc1cccc(c1)B(O)O 1P00346D [0,1,0,0,1,0|1,0,1]=4 2566 B10R1.113 Fc1cccc(c1)C(=C)C 1P01AC8N [0,1,0,0,1,0|2,0,0]=4 2567 B10R1.113 Fc1cccc(c1)C(=N)N 1P00FB1F [0,1,0,0,1,0|2,0,0]=4 2568 B10R1.113 Fc1cccc(c1)C(=N)N 1P00ID2X [0,1,0,0,1,0|2,0,0]=4 2569 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [0,1,0,0,1,0|1,0,0]=3 2570 B10R1.113 Fc1cccc(c1)C(=O)Cl 1P00HZZM [0,1,0,0,1,0|1,0,0]=3 2571 B10R1.113 Fc1cccc(c1)C(=O)F 1P028ERF [0,1,0,0,1,0|1,0,0]=3 2572 B10R1.113 Fc1cccc(c1)C(=O)N 1P00DES0 [0,1,0,0,1,0|1,0,0]=3 2573 B10R1.113 Fc1cccc(c1)C(=O)O 1P003JXV [0,1,0,0,1,0|0,0,0]=2 2574 B10R1.113 Fc1cccc(c1)C(=O)[O-] 1P00DAE1 [0,1,0,0,1,0|0,0,1]=3 2575 B10R1.113 Fc1cccc(c1)C(=S)N 1P00FB1I [0,1,0,0,1,0|1,1,0]=4 2576 B10R1.113 Fc1cccc(c1)C(O)C 1P003DDQ [0,1,0,0,1,0|1,0,1]=4 2577 B10R1.113 Fc1cccc(c1)S(=O)[O-] 1P01BEXD [0,1,0,0,1,0|1,0,1]=4 2578 B10R1.113 Fc1cccc(c1)[C@@H](O)C 1P000TCI [0,1,0,0,1,0|1,0,1]=4 2579 B10R1.113 Fc1cccc(c1)[C@H](O)C 1P000TDQ [0,1,0,0,1,0|1,0,1]=4 2580 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] 1P003ESO [0,1,0,0,1,0|1,0,1]=4 2581 B10R1.113 Fc1cccc(n1)C(=O)C 1P006WGK [0,1,0,0,1,0|2,0,0]=4 2582 B10R1.113 Fc1cccc(n1)C(=O)N 1P00C7F7 [0,1,0,0,1,0|2,0,0]=4 2583 B10R1.113 Fc1cccc(n1)C(=O)O 1P003HSX [0,1,0,0,1,0|1,0,0]=3 2584 B10R1.113 Fc1nccc(c1)C(=O)C 1P008RVB [0,1,0,0,1,0|2,0,0]=4 2585 B10R1.113 Fc1nccc(c1)C(=O)Cl 1P00EEA5 [0,1,0,0,1,0|2,0,0]=4 2586 B10R1.113 Fc1nccc(c1)C(=O)N 1P01A8DW [0,1,0,0,1,0|2,0,0]=4 2587 B10R1.113 Fc1nccc(c1)C(=O)O 1P003HSL [0,1,0,0,1,0|1,0,0]=3 2588 B10R1.113 Ic1cccc(c1)B(O)O 1P00I4SU [0,1,0,0,1,0|1,0,1]=4 2589 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [0,1,0,0,1,0|1,0,0]=3 2590 B10R1.113 Ic1cccc(c1)C(=O)Cl 1P003K2B [0,1,0,0,1,0|1,0,0]=3 2591 B10R1.113 Ic1cccc(c1)C(=O)N 1P0085PW [0,1,0,0,1,0|1,0,0]=3 2592 B10R1.113 Ic1cccc(c1)C(=O)O 1P003K29 [0,1,0,0,1,0|0,0,0]=2 2593 B10R1.113 Ic1cccc(c1)C(=S)N 1P007C9W [0,1,0,0,1,0|1,1,0]=4 2594 B10R1.113 Ic1cccc(c1)C(O)C 1P024HK1 [0,1,0,0,1,0|1,0,1]=4 2595 B10R1.113 Ic1cccc(c1)[N+](=O)[O-] 1P003395 [0,1,0,0,1,0|1,0,1]=4 2596 B10R1.113 Ic1cccc(n1)C(=O)O 1P00IAAK [0,1,0,0,1,0|1,0,0]=3 2597 B10R1.113 Ic1nccc(c1)C(=O)N 1P00C2N5 [0,1,0,0,1,0|2,0,0]=4 2598 B10R1.113 Ic1nccc(c1)C(=O)O 1P0033TU [0,1,0,0,1,0|1,0,0]=3 2599 B10R1.113 NC(=O)c1cc(Br)ccn1 1P00ECYG [0,1,0,0,1,0|2,0,0]=4 2600 B10R1.113 NC(=O)c1cc(Br)cnc1 1P002WR4 [0,1,0,0,1,0|2,0,0]=4 2601 B10R1.113 NC(=O)c1cc(Cl)ccn1 1P003LP2 [0,1,0,0,1,0|2,0,0]=4 2602 B10R1.113 NC(=O)c1cc(Cl)cnc1 1P00C4C5 [0,1,0,0,1,0|2,0,0]=4 2603 B10R1.113 NC(=O)c1cc(F)cnc1 1P003N8D [0,1,0,0,1,0|2,0,0]=4 2604 B10R1.113 NC(=O)c1cc(O)cnc1 1P000550 [0,1,0,0,1,0|2,0,0]=4 2605 B10R1.113 NC1C=CC=C(C1)C(=O)O 1P00EBRR [0,1,0,0,1,0|0,0,2]=4 2606 B10R1.113 Nc1cc(cnc1)C(=O)O 1P003MV4 [0,1,0,0,1,0|1,0,0]=3 2607 B10R1.113 Nc1cc(cnn1)C(=O)O 1P000M84 [0,1,0,0,1,0|2,0,0]=4 2608 B10R1.113 Nc1cc(ncc1)C(=O)O 1P00014A [0,1,0,0,1,0|1,0,0]=3 2609 B10R1.113 Nc1cc(ncc1)C(=O)O 1P000ZD8 [0,1,0,0,1,0|1,0,0]=3 2610 B10R1.113 Nc1cc(ncc1)C(=O)O 1P003L8Q [0,1,0,0,1,0|1,0,0]=3 2611 B10R1.113 Nc1cccc(c1)B(O)O 1P002J1A [0,1,0,0,1,0|1,0,1]=4 2612 B10R1.113 Nc1cccc(c1)B(O)O 1P0030J9 [0,1,0,0,1,0|1,0,1]=4 2613 B10R1.113 Nc1cccc(c1)B(O)O 1P004TVA [0,1,0,0,1,0|1,0,1]=4 2614 B10R1.113 Nc1cccc(c1)B(O)O 1P00FHXI [0,1,0,0,1,0|1,0,1]=4 2615 B10R1.113 Nc1cccc(c1)C(=C)C 1P01CAQU [0,1,0,0,1,0|2,0,0]=4 2616 B10R1.113 Nc1cccc(c1)C(=N)N 1P003JDV [0,1,0,0,1,0|2,0,0]=4 2617 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [0,1,0,0,1,0|1,0,0]=3 2618 B10R1.113 Nc1cccc(c1)C(=O)N 1P0037SS [0,1,0,0,1,0|1,0,0]=3 2619 B10R1.113 Nc1cccc(c1)C(=O)O 1P003421 [0,1,0,0,1,0|0,0,0]=2 2620 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDW [0,1,0,0,1,0|0,0,0]=2 2621 B10R1.113 Nc1cccc(c1)C(=O)O 1P003JDX [0,1,0,0,1,0|0,0,0]=2 2622 B10R1.113 Nc1cccc(c1)C(=S)N 1P005DAW [0,1,0,0,1,0|1,1,0]=4 2623 B10R1.113 Nc1cccc(c1)C(O)C 1P002OXT [0,1,0,0,1,0|1,0,1]=4 2624 B10R1.113 Nc1cccc(c1)S(=O)C 1P019WQF [0,1,0,0,1,0|2,0,0]=4 2625 B10R1.113 Nc1cccc(c1)S(=O)C 1P01APKC [0,1,0,0,1,0|2,0,0]=4 2626 B10R1.113 Nc1cccc(c1)[C@@H](O)C 1P01DZPI [0,1,0,0,1,0|1,0,1]=4 2627 B10R1.113 Nc1cccc(c1)[C@H](O)C 1P01EMV6 [0,1,0,0,1,0|1,0,1]=4 2628 B10R1.113 Nc1cccc(c1)[N+](=O)[O-] 1P003A52 [0,1,0,0,1,0|1,0,1]=4 2629 B10R1.113 Nc1cccc(c1)[N+](=O)[O-] 1P003K9M [0,1,0,0,1,0|1,0,1]=4 2630 B10R1.113 Nc1cccc(n1)C(=O)C 1P0096CI [0,1,0,0,1,0|2,0,0]=4 2631 B10R1.113 Nc1cccc(n1)C(=O)N 1P009WEN [0,1,0,0,1,0|2,0,0]=4 2632 B10R1.113 Nc1cccc(n1)C(=O)O 1P002OE4 [0,1,0,0,1,0|1,0,0]=3 2633 B10R1.113 Nc1ccnc(c1)C(=O)N 1P0001IS [0,1,0,0,1,0|2,0,0]=4 2634 B10R1.113 Nc1ccnc(n1)C(=O)O 1P006479 [0,1,0,0,1,0|2,0,0]=4 2635 B10R1.113 Nc1cncc(c1)C(=O)N 1P003MV3 [0,1,0,0,1,0|2,0,0]=4 2636 B10R1.113 Nc1cncc(n1)C(=O)O 1P003NJM [0,1,0,0,1,0|2,0,0]=4 2637 B10R1.113 Nc1nccc(c1)C(=O)C 1P00CL4F [0,1,0,0,1,0|2,0,0]=4 2638 B10R1.113 Nc1nccc(c1)C(=O)N 1P0033K1 [0,1,0,0,1,0|2,0,0]=4 2639 B10R1.113 Nc1nccc(c1)C(=O)O 1P003H05 [0,1,0,0,1,0|1,0,0]=3 2640 B10R1.113 Nc1nccc(c1)C(=O)O 1P00J1XX [0,1,0,0,1,0|1,0,0]=3 2641 B10R1.113 Nc1nccc(n1)C(=O)O 1P003H0P [0,1,0,0,1,0|2,0,0]=4 2642 B10R1.113 O=C1N=CC=C(C1)C(=O)O 1P00HZQT [0,1,0,0,1,0|1,0,1]=4 2643 B10R1.113 O=c1cc[nH]c(c1)C(=O)O 1P00IKJ5 [0,1,0,0,1,0|1,0,0]=3 2644 B10R1.113 O=c1cccc(o1)C(=O)O 1P005Q2O [0,1,0,0,1,0|1,0,0]=3 2645 B10R1.113 O=c1ccoc(c1)C(=O)O 1P003PI6 [0,1,0,0,1,0|1,0,0]=3 2646 B10R1.113 O=c1nc[nH]c(c1)C(=O)O 1P003NSD [0,1,0,0,1,0|2,0,0]=4 2647 B10R1.113 O=n1cccc(c1)C(=O)O 1P003TKE [0,1,0,0,1,0|1,0,0]=3 2648 B10R1.113 OC(=O)c1cc(=N)[nH]cn1 1P00C0WV [0,1,0,0,1,0|2,0,0]=4 2649 B10R1.113 OC(=O)c1cc(Br)ccn1 1P0031O8 [0,1,0,0,1,0|1,0,0]=3 2650 B10R1.113 OC(=O)c1cc(Br)cnc1 1P002K2H [0,1,0,0,1,0|1,0,0]=3 2651 B10R1.113 OC(=O)c1cc(Br)nnc1 1P01RLDG [0,1,0,0,1,0|2,0,0]=4 2652 B10R1.113 OC(=O)c1cc(Cl)ccn1 1P003LP3 [0,1,0,0,1,0|1,0,0]=3 2653 B10R1.113 OC(=O)c1cc(Cl)cnc1 1P007ONC [0,1,0,0,1,0|1,0,0]=3 2654 B10R1.113 OC(=O)c1cc(Cl)ncn1 1P00C7DL [0,1,0,0,1,0|2,0,0]=4 2655 B10R1.113 OC(=O)c1cc(Cl)nnc1 1P000OTO [0,1,0,0,1,0|2,0,0]=4 2656 B10R1.113 OC(=O)c1cc(F)ccn1 1P003A14 [0,1,0,0,1,0|1,0,0]=3 2657 B10R1.113 OC(=O)c1cc(F)cnc1 1P0034QK [0,1,0,0,1,0|1,0,0]=3 2658 B10R1.113 OC(=O)c1cc(I)ccn1 1P00I8FB [0,1,0,0,1,0|1,0,0]=3 2659 B10R1.113 OC(=O)c1cc(I)cnc1 1P00AKQU [0,1,0,0,1,0|1,0,0]=3 2660 B10R1.113 OC(=O)c1cc(S)cnc1 1P01C2E3 [0,1,0,0,1,0|1,0,0]=3 2661 B10R1.113 OC(=O)c1cc[nH]c(=S)c1 1P0039DI [0,1,0,0,1,0|1,0,0]=3 2662 B10R1.113 OC(=O)c1cccc(=O)[nH]1 1P003NP5 [0,1,0,0,1,0|1,0,0]=3 2663 B10R1.113 OC(=O)c1cccc(=S)[nH]1 1P001F54 [0,1,0,0,1,0|1,0,0]=3 2664 B10R1.113 OC(=O)c1ccnc(=O)[nH]1 1P0069K5 [0,1,0,0,1,0|2,0,0]=4 2665 B10R1.113 OC(=O)c1cn[nH]c(=O)c1 1P0038UN [0,1,0,0,1,0|2,0,0]=4 2666 B10R1.113 OC(=O)c1cncc(=O)[nH]1 1P001B0Z [0,1,0,0,1,0|2,0,0]=4 2667 B10R1.113 OC(=O)c1cncc(n1)Br 1P000PR6 [0,1,0,0,1,0|2,0,0]=4 2668 B10R1.113 OC(=O)c1cncc(n1)Cl 1P002OLN [0,1,0,0,1,0|2,0,0]=4 2669 B10R1.113 OC(=O)c1nc(Br)ccn1 1P002RR1 [0,1,0,0,1,0|2,0,0]=4 2670 B10R1.113 OC(=O)c1nc(Cl)ccn1 1P003LKW [0,1,0,0,1,0|2,0,0]=4 2671 B10R1.113 OC(=O)c1ncnc(c1)N 1P01FSNP [0,1,0,0,1,0|2,0,0]=4 2672 B10R1.113 Oc1cccc(c1)B(O)O 1P00346Q [0,1,0,0,1,0|1,0,1]=4 2673 B10R1.113 Oc1cccc(c1)C(=N)N 1P00EEVR [0,1,0,0,1,0|2,0,0]=4 2674 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [0,1,0,0,1,0|1,0,0]=3 2675 B10R1.113 Oc1cccc(c1)C(=O)N 1P0037IV [0,1,0,0,1,0|1,0,0]=3 2676 B10R1.113 Oc1cccc(c1)C(=O)O 1P00346R [0,1,0,0,1,0|0,0,0]=2 2677 B10R1.113 Oc1cccc(c1)C(=O)[O-] 1P003URS [0,1,0,0,1,0|0,0,1]=3 2678 B10R1.113 Oc1cccc(c1)C(=S)N 1P007YNT [0,1,0,0,1,0|1,1,0]=4 2679 B10R1.113 Oc1cccc(c1)C(O)C 1P003DDU [0,1,0,0,1,0|1,0,1]=4 2680 B10R1.113 Oc1cccc(c1)S(=O)C 1P001NIU [0,1,0,0,1,0|2,0,0]=4 2681 B10R1.113 Oc1cccc(c1)[C@H](O)C 1P00EL2Y [0,1,0,0,1,0|1,0,1]=4 2682 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] 1P00DEND [0,1,0,0,1,0|1,0,1]=4 2683 B10R1.113 Oc1cccc(n1)C(=O)N 1P01DD88 [0,1,0,0,1,0|2,0,0]=4 2684 B10R1.113 Oc1ccnc(c1)C(=O)O 1P0034J9 [0,1,0,0,1,0|1,0,0]=3 2685 B10R1.113 Oc1cncc(c1)C(=O)O 1P002VC0 [0,1,0,0,1,0|1,0,0]=3 2686 B10R1.113 Oc1cnnc(c1)C(=O)O 1P021ZE5 [0,1,0,0,1,0|2,0,0]=4 2687 B10R1.113 Oc1nccc(c1)C(=O)O 1P0033TH [0,1,0,0,1,0|1,0,0]=3 2688 B10R1.113 Sc1cccc(c1)B(O)O 1P00C0T1 [0,1,0,0,1,0|1,0,1]=4 2689 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [0,1,0,0,1,0|1,0,0]=3 2690 B10R1.113 Sc1cccc(c1)C(=O)N 1P00EIKO [0,1,0,0,1,0|1,0,0]=3 2691 B10R1.113 Sc1cccc(c1)C(=O)O 1P003K32 [0,1,0,0,1,0|0,0,0]=2 2692 B10R1.113 Sc1cccc(c1)[N+](=O)[O-] 1P00CIK9 [0,1,0,0,1,0|1,0,1]=4 2693 B10R1.113 [O-][n+]1cccc(c1)C(=O)C 1P001HRT [0,1,0,0,1,0|2,0,0]=4 2694 B10R1.113 [O-][n+]1cccc(c1)C(=O)N 1P002C45 [0,1,0,0,1,0|2,0,0]=4 2695 B10R1.23 CC(c1ccon1)C(=O)O 1P024ULI [0,1,0,0,1,0|2,0,0]=4 2696 B10R1.23 CC(c1ccsn1)C(=O)O 1P028EBX [0,1,0,0,1,0|2,0,0]=4 2697 B10R1.23 CC(c1cncs1)C(=O)O 1P028OQJ [0,1,0,0,1,0|2,0,0]=4 2698 B10R1.23 CC(n1cccc1)C(=O)O 1P00ECFR [0,1,0,0,1,0|1,0,0]=3 2699 B10R1.23 NC(c1ccns1)C(=O)O 1P0292T9 [0,1,0,0,1,0|2,0,0]=4 2700 B10R1.23 NC(c1ncsc1)C(=O)O 1P028U5X [0,1,0,0,1,0|2,0,0]=4 2701 B10R1.23 OC(=O)C(=O)c1ccc[nH]1 1P01XFH9 [0,1,0,0,1,0|1,0,1]=4 2702 B10R1.23 OC(=O)C(=O)c1ccco1 1P001EQ0 [0,1,0,0,1,0|1,0,1]=4 2703 B10R1.23 OC(=O)C(=O)c1cccs1 1P003IAL [0,1,0,0,1,0|1,0,1]=4 2704 B10R1.23 OC(=O)C(c1ccco1)C 1P01ALA0 [0,1,0,0,1,0|1,0,0]=3 2705 B10R1.23 OC(=O)C(c1ccco1)N 1P007UOY [0,1,0,0,1,0|1,0,0]=3 2706 B10R1.23 OC(=O)C(c1cccs1)C 1P00E560 [0,1,0,0,1,0|1,0,0]=3 2707 B10R1.23 OC(=O)C(c1cccs1)N 1P002LP1 [0,1,0,0,1,0|1,0,0]=3 2708 B10R1.23 OC(=O)C(c1cocc1)C 1P01NNRB [0,1,0,0,1,0|1,0,0]=3 2709 B10R1.23 OC(=O)C(c1cscc1)C 1P01AKDO [0,1,0,0,1,0|1,0,0]=3 2710 B10R1.23 OC(=O)C(c1cscc1)F 1P01N76Y [0,1,0,0,1,0|1,0,0]=3 2711 B10R1.23 OC(=O)C(c1cscc1)N 1P00BZV1 [0,1,0,0,1,0|1,0,0]=3 2712 B10R1.23 OC(=O)C(c1cscc1)N 1P00CPD7 [0,1,0,0,1,0|1,0,0]=3 2713 B10R1.23 OC(=O)C(c1cscc1)O 1P007Q2Y [0,1,0,0,1,0|1,0,0]=3 2714 B10R1.23 OC(=O)C(c1ncc[nH]1)C 1P001LX3 [0,1,0,0,1,0|2,0,0]=4 2715 B10R1.23 OC(=O)C(c1ncco1)C 1P028ZWG [0,1,0,0,1,0|2,0,0]=4 2716 B10R1.23 OC(=O)C(n1cccn1)C 1P006C9Y [0,1,0,0,1,0|2,0,0]=4 2717 B10R1.23 OC(=O)C(n1cccn1)C 1P019NQX [0,1,0,0,1,0|2,0,0]=4 2718 B10R1.23 OC(=O)C(n1cccn1)F 1P01DW11 [0,1,0,0,1,0|2,0,0]=4 2719 B10R1.23 OC(=O)C(n1cncc1)C 1P008QS6 [0,1,0,0,1,0|2,0,0]=4 2720 B10R1.23 OC(=O)C(n1cncc1)C 1P00GYSK [0,1,0,0,1,0|2,0,0]=4 2721 B10R1.23 OC(=O)C(n1cncc1)F 1P01DX7A [0,1,0,0,1,0|2,0,0]=4 2722 B10R1.23 OC(=O)[C@@H](c1ccco1)O 1P024Z1R [0,1,0,0,1,0|1,0,0]=3 2723 B10R1.23 OC(=O)[C@@H](c1cccs1)N 1P00I8RO [0,1,0,0,1,0|1,0,0]=3 2724 B10R1.23 OC(=O)[C@@H](c1cscc1)N 1P000J63 [0,1,0,0,1,0|1,0,0]=3 2725 B10R1.23 OC(=O)[C@@H](c1cscc1)O 1P028VVF [0,1,0,0,1,0|1,0,0]=3 2726 B10R1.23 OC(=O)[C@H](c1ccco1)O 1P0289EK [0,1,0,0,1,0|1,0,0]=3 2727 B10R1.23 OC(=O)[C@H](c1cccs1)N 1P003CPX [0,1,0,0,1,0|1,0,0]=3 2728 B10R1.23 OC(=O)[C@H](c1cscc1)N 1P000J62 [0,1,0,0,1,0|1,0,0]=3 2729 B10R1.23 OC(=O)[C@H](c1cscc1)O 1P028ZRE [0,1,0,0,1,0|1,0,0]=3 2730 B10R1.23 OC(=O)[C@H](n1cncc1)C 1P003CP6 [0,1,0,0,1,0|2,0,0]=4 2731 B10R1.23 OC(c1c[nH]cn1)C(=O)O 1P01C3KF [0,1,0,0,1,0|2,0,0]=4 2732 B10R1.27 CCC(=O)Cc1ccco1 1P00C8VQ [0,1,0,0,1,0|2,0,0]=4 2733 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,1,0,0,1,0|2,0,0]=4 2734 B10R1.27 COC(=O)Cc1cc[nH]n1 1P00H4GF [0,1,0,0,1,0|2,0,0]=4 2735 B10R1.27 COC(=O)Cc1ccc[nH]1 1P01GFU2 [0,1,0,0,1,0|1,0,0]=3 2736 B10R1.27 COC(=O)Cc1cccs1 1P003S5W [0,1,0,0,1,0|1,0,0]=3 2737 B10R1.27 COC(=O)Cc1cnc[nH]1 1P00CMO1 [0,1,0,0,1,0|2,0,0]=4 2738 B10R1.27 COC(=O)Cc1cnco1 1P01PZ6T [0,1,0,0,1,0|2,0,0]=4 2739 B10R1.27 COC(=O)Cc1cocc1 1P00F61O [0,1,0,0,1,0|1,0,0]=3 2740 B10R1.27 COC(=O)Cc1cocn1 1P027NBL [0,1,0,0,1,0|2,0,0]=4 2741 B10R1.27 COC(=O)Cc1cscc1 1P003SJH [0,1,0,0,1,0|1,0,0]=3 2742 B10R1.27 COC(=O)Cc1ncc[nH]1 1P001P6Q [0,1,0,0,1,0|2,0,0]=4 2743 B10R1.27 COC(=O)Cc1nccs1 1P01BHVY [0,1,0,0,1,0|2,0,0]=4 2744 B10R1.27 COC(=O)Cn1cccc1 1P006VIC [0,1,0,0,1,0|1,0,0]=3 2745 B10R1.27 COC(=O)Cn1cccn1 1P003S1D [0,1,0,0,1,0|2,0,0]=4 2746 B10R1.27 COC(=O)Cn1cncc1 1P0035M6 [0,1,0,0,1,0|2,0,0]=4 2747 B10R1.27 NNC(=O)Cc1cccs1 1P00C8NG [0,1,0,0,1,0|2,0,0]=4 2748 B10R1.27 NNC(=O)Cc1cscc1 1P00218A [0,1,0,0,1,0|2,0,0]=4 2749 B10R1.27 O\N=C(/Cc1cscc1)\N 1P00HYSV [0,1,0,0,1,0|2,0,0]=4 2750 B10R1.27 O\N=C(\Cc1cccs1)/N 1P00EJLI [0,1,0,0,1,0|2,0,0]=4 2751 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1P01A4BO [0,1,0,0,1,0|2,0,0]=4 2752 B10R1.54 Cc1c[nH]c(n1)CC(=O)O 1P0280S4 [0,1,0,0,1,0|2,0,0]=4 2753 B10R1.54 Cc1cc(n[nH]1)CC(=O)O 1P00JATC [0,1,0,0,1,0|2,0,0]=4 2754 B10R1.54 Cc1cc(no1)CC(=O)O 1P00IAQ3 [0,1,0,0,1,0|2,0,0]=4 2755 B10R1.54 Cc1cc(on1)CC(=O)O 1P0036FD [0,1,0,0,1,0|2,0,0]=4 2756 B10R1.54 Cc1cc(sc1)CC(=O)O 1P01DVCZ [0,1,0,0,1,0|1,0,0]=3 2757 B10R1.54 Cc1cc(sn1)CC(=O)O 1P01B7A7 [0,1,0,0,1,0|2,0,0]=4 2758 B10R1.54 Cc1ccc(o1)CC(=O)O 1P00VUZG [0,1,0,0,1,0|1,0,0]=3 2759 B10R1.54 Cc1ccc(s1)CC(=O)O 1P00FHIB [0,1,0,0,1,0|1,0,0]=3 2760 B10R1.54 Cc1ccn(n1)CC(=O)O 1P0022R5 [0,1,0,0,1,0|2,0,0]=4 2761 B10R1.54 Cc1ccn(n1)CC(=O)O 1P01ANRT [0,1,0,0,1,0|2,0,0]=4 2762 B10R1.54 Cc1cn(nc1)CC(=O)O 1P00IJQL [0,1,0,0,1,0|2,0,0]=4 2763 B10R1.54 Cc1cn(nc1)CC(=O)O 1P00J2AV [0,1,0,0,1,0|2,0,0]=4 2764 B10R1.54 Cc1cnc(o1)CC(=O)O 1P01C0YK [0,1,0,0,1,0|2,0,0]=4 2765 B10R1.54 Cc1nc(c[nH]1)CC(=O)O 1P028O2E [0,1,0,0,1,0|2,0,0]=4 2766 B10R1.54 Cc1nc(co1)CC(=O)O 1P00JBBQ [0,1,0,0,1,0|2,0,0]=4 2767 B10R1.54 Cc1nc(cs1)CC(=O)O 1P001882 [0,1,0,0,1,0|2,0,0]=4 2768 B10R1.54 Cc1ncc(o1)CC(=O)O 1P01BWBU [0,1,0,0,1,0|2,0,0]=4 2769 B10R1.54 Cc1ncc(s1)CC(=O)O 1P00DBQN [0,1,0,0,1,0|2,0,0]=4 2770 B10R1.54 ClC(=O)Cc1ccc(s1)Br 1P01UBLD [0,1,0,0,1,0|2,0,0]=4 2771 B10R1.54 Cn1cc(nc1)CC(=O)O 1P002SXO [0,1,0,0,1,0|2,0,0]=4 2772 B10R1.54 Cn1cc(nc1)CC(=O)O 1P0038FZ [0,1,0,0,1,0|2,0,0]=4 2773 B10R1.54 Cn1ccc(n1)CC(=O)O 1P003AWT [0,1,0,0,1,0|2,0,0]=4 2774 B10R1.54 Cn1ccc(n1)CC(=O)O 1P01C4SJ [0,1,0,0,1,0|2,0,0]=4 2775 B10R1.54 Nc1cc(n[nH]1)CC(=O)O 1P0020HG [0,1,0,0,1,0|2,0,0]=4 2776 B10R1.54 Nc1ccn(n1)CC(=O)O 1P0002Z3 [0,1,0,0,1,0|2,0,0]=4 2777 B10R1.54 Nc1cn(nc1)CC(=O)O 1P00HWOH [0,1,0,0,1,0|2,0,0]=4 2778 B10R1.54 Nc1cn(nc1)CC(=O)O 1P00JEMX [0,1,0,0,1,0|2,0,0]=4 2779 B10R1.54 Nc1nc(cs1)CC(=O)O 1P002ZIQ [0,1,0,0,1,0|2,0,0]=4 2780 B10R1.54 Nc1nc(cs1)CC(=O)O 1P00IC2Z [0,1,0,0,1,0|2,0,0]=4 2781 B10R1.54 Nc1ncc(s1)CC(=O)O 1P006UD8 [0,1,0,0,1,0|2,0,0]=4 2782 B10R1.54 OC(=O)Cc1cc(cs1)Br 1P001T02 [0,1,0,0,1,0|1,0,0]=3 2783 B10R1.54 OC(=O)Cc1cc(cs1)Cl 1P01EKNJ [0,1,0,0,1,0|1,0,0]=3 2784 B10R1.54 OC(=O)Cc1ccc(s1)Br 1P00FI4L [0,1,0,0,1,0|1,0,0]=3 2785 B10R1.54 OC(=O)Cc1ccc(s1)Cl 1P00HV58 [0,1,0,0,1,0|1,0,0]=3 2786 B10R1.54 OC(=O)Cc1ccn(c1)C 1P00J3XI [0,1,0,0,1,0|1,0,0]=3 2787 B10R1.54 OC(=O)Cc1cnn(c1)C 1P000GZF [0,1,0,0,1,0|2,0,0]=4 2788 B10R1.54 OC(=O)Cc1csc(c1)Br 1P01BU1U [0,1,0,0,1,0|1,0,0]=3 2789 B10R1.54 OC(=O)Cc1csc(c1)C 1P01BC1B [0,1,0,0,1,0|1,0,0]=3 2790 B10R1.54 OC(=O)Cc1csc(c1)Cl 1P00BHTH [0,1,0,0,1,0|1,0,0]=3 2791 B10R1.54 OC(=O)Cc1csc(n1)Br 1P00EKF8 [0,1,0,0,1,0|2,0,0]=4 2792 B10R1.54 OC(=O)Cc1csc(n1)Cl 1P002ZIP [0,1,0,0,1,0|2,0,0]=4 2793 B10R1.54 OC(=O)Cc1csc(n1)S 1P00D34V [0,1,0,0,1,0|2,0,0]=4 2794 B10R1.54 OC(=O)Cc1nc(cs1)Cl 1P00IL58 [0,1,0,0,1,0|2,0,0]=4 2795 B10R1.54 OC(=O)Cn1cc(cn1)Br 1P0056VX [0,1,0,0,1,0|2,0,0]=4 2796 B10R1.54 OC(=O)Cn1cc(cn1)Cl 1P00C0K4 [0,1,0,0,1,0|2,0,0]=4 2797 B10R1.54 OC(=O)Cn1cc(cn1)I 1P00JE1Z [0,1,0,0,1,0|2,0,0]=4 2798 B10R1.54 OC(=O)Cn1cc(cn1)S 1P0281VO [0,1,0,0,1,0|2,0,0]=4 2799 B10R1.54 OC(=O)Cn1ccc(n1)Br 1P01AP4V [0,1,0,0,1,0|2,0,0]=4 2800 B10R1.54 OC(=O)Cn1cnc(c1)Br 1P01BKUG [0,1,0,0,1,0|2,0,0]=4 2801 B10R1.54 OC(=O)Cn1ncc(c1)N 1P0098ZD [0,1,0,0,1,0|2,0,0]=4 2802 B10R1.54 [O-]C(=O)Cc1cc(co1)C 1P028P44 [0,1,0,0,1,0|1,0,1]=4 2803 B10R1.64 Cc1c(CC(=O)O)nc[nH]1 1P00J1M9 [0,1,0,0,1,0|2,0,0]=4 2804 B10R1.64 Cc1cncn1CC(=O)O 1P01BVWV [0,1,0,0,1,0|2,0,0]=4 2805 B10R1.64 Cc1conc1CC(=O)O 1P01BIFD [0,1,0,0,1,0|2,0,0]=4 2806 B10R1.64 Cc1n[nH]cc1CC(=O)O 1P01QSBU [0,1,0,0,1,0|2,0,0]=4 2807 B10R1.64 Cc1nccn1CC(=O)O 1P00BEU4 [0,1,0,0,1,0|2,0,0]=4 2808 B10R1.64 Cc1nccn1CC(=O)O 1P00J1NQ [0,1,0,0,1,0|2,0,0]=4 2809 B10R1.64 Cc1ncsc1CC(=O)O 1P003FDP [0,1,0,0,1,0|2,0,0]=4 2810 B10R1.64 Cc1nocc1CC(=O)O 1P01C4MP [0,1,0,0,1,0|2,0,0]=4 2811 B10R1.64 Cc1nscc1CC(=O)O 1P028I3C [0,1,0,0,1,0|2,0,0]=4 2812 B10R1.64 Cc1occc1CC(=O)O 1P028FWV [0,1,0,0,1,0|1,0,0]=3 2813 B10R1.64 Cc1occc1SC(=O)O 1P00DEFU [0,1,0,0,1,0|2,0,0]=4 2814 B10R1.64 Cc1ocnc1CC(=O)O 1P01DFCN [0,1,0,0,1,0|2,0,0]=4 2815 B10R1.64 Cc1oncc1CC(=O)O 1P01DFCJ [0,1,0,0,1,0|2,0,0]=4 2816 B10R1.64 Cc1sccc1CC(=O)O 1P01B20V [0,1,0,0,1,0|1,0,0]=3 2817 B10R1.64 Cc1sncc1CC(=O)O 1P028DAJ [0,1,0,0,1,0|2,0,0]=4 2818 B10R1.64 Cn1cncc1CC(=O)O 1P01AFND [0,1,0,0,1,0|2,0,0]=4 2819 B10R1.64 Cn1nccc1CC(=O)O 1P0096Z4 [0,1,0,0,1,0|2,0,0]=4 2820 B10R1.64 OC(=O)Cc1cccn1C 1P007PAQ [0,1,0,0,1,0|1,0,0]=3 2821 B10R1.64 OC(=O)Cc1ccsc1Br 1P00ANKF [0,1,0,0,1,0|1,0,0]=3 2822 B10R1.64 OC(=O)Cc1ccsc1Cl 1P002HNS [0,1,0,0,1,0|1,0,0]=3 2823 B10R1.64 OC(=O)Cc1cscc1Br 1P01BHFS [0,1,0,0,1,0|1,0,0]=3 2824 B10R1.64 OC(=O)Cc1cscc1F 1P028OM6 [0,1,0,0,1,0|1,0,0]=3 2825 B10R1.64 OC(=O)Cc1nccn1C 1P008RO8 [0,1,0,0,1,0|2,0,0]=4 2826 B10R1.64 OC(=O)Cc1nccn1C 1P01ADPP [0,1,0,0,1,0|2,0,0]=4 2827 B10R1.64 OC(=O)Cc1ncsc1Cl 1P028UD4 [0,1,0,0,1,0|2,0,0]=4 2828 B10R1.64 OC(=O)Cc1occc1C 1P01B2Q9 [0,1,0,0,1,0|1,0,0]=3 2829 B10R1.64 OC(=O)Cc1occc1Cl 1P01ENSI [0,1,0,0,1,0|1,0,0]=3 2830 B10R1.64 OC(=O)Cc1sccc1Br 1P01A2G9 [0,1,0,0,1,0|1,0,0]=3 2831 B10R1.64 OC(=O)Cc1sccc1C 1P01BHON [0,1,0,0,1,0|1,0,0]=3 2832 B10R1.64 OC(=O)Cc1sccc1Cl 1P0291Q0 [0,1,0,0,1,0|1,0,0]=3 2833 B10R1.64 OC(=O)Cn1ccsc1=N 1P002O75 [0,1,0,0,1,0|2,0,0]=4 2834 B10R1.64 OC(=O)Cn1nccc1Br 1P025GEV [0,1,0,0,1,0|2,0,0]=4 2835 B10R1.64 OC(=O)Cn1nccc1C 1P0022R2 [0,1,0,0,1,0|2,0,0]=4 2836 B10R1.64 OC(=O)Cn1nccc1N 1P01ELVM [0,1,0,0,1,0|2,0,0]=4 2837 B10R1.64 [O-]C(=O)Cc1[nH]ccc1C 1P0287HU [0,1,0,0,1,0|1,0,1]=4 2838 B12R1.21 CC(=C)CNc1ccc(cc1)Cl 1P01A46F [0,1,0,0,0,1|2,0,0]=4 2839 B12R1.21 CC(=C)COc1ccc(cc1)Br 1P01B1YY [0,1,0,0,0,1|2,0,0]=4 2840 B12R1.21 CC(=C)COc1ccc(cc1)N 1P00GU9R [0,1,0,0,0,1|2,0,0]=4 2841 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,1,0,0,0,1|1,0,0]=3 2842 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,1,0,0,0,1|1,0,0]=3 2843 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,1,0,0,0,1|1,0,0]=3 2844 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,1,0,0,0,1|1,0,0]=3 2845 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,1,0,0,0,1|1,0,0]=3 2846 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,1,0,0,0,1|1,0,0]=3 2847 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,1,0,0,0,1|1,0,0]=3 2848 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,1,0,0,0,1|1,0,0]=3 2849 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,1,0,0,0,1|1,0,0]=3 2850 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,1,0,0,0,1|1,0,0]=3 2851 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,1,0,0,0,1|1,0,0]=3 2852 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,1,0,0,0,1|1,0,0]=3 2853 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1P027U4J [0,1,0,0,0,1|2,0,0]=4 2854 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1P0021FN [0,1,0,0,0,1|2,0,0]=4 2855 B12R1.21 CC(=O)NNc1ccc(cc1)Br 1P00B502 [0,1,0,0,0,1|2,0,0]=4 2856 B12R1.21 CC(=O)NNc1ccc(cc1)F 1P01BY4U [0,1,0,0,0,1|2,0,0]=4 2857 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,1,0,0,0,1|1,0,0]=3 2858 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,1,0,0,0,1|1,0,0]=3 2859 B12R1.21 CC(=O)OCc1ccc(cn1)O 1P028BI5 [0,1,0,0,0,1|2,0,0]=4 2860 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Br 1P00CMW7 [0,1,0,0,0,1|1,0,1]=4 2861 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl 1P003LNL [0,1,0,0,0,1|1,0,1]=4 2862 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O 1P003LZY [0,1,0,0,0,1|1,0,1]=4 2863 B12R1.21 CC(CCc1ccc(cc1)O)O 1P00FDS3 [0,1,0,0,0,1|1,0,1]=4 2864 B12R1.21 CC(COc1ccc(cc1)C)O 1P003DH6 [0,1,0,0,0,1|1,0,1]=4 2865 B12R1.21 CC(COc1ccc(cc1)N)O 1P028H9H [0,1,0,0,0,1|1,0,1]=4 2866 B12R1.21 C[C@H](CCc1ccc(cc1)O)O 1P00DFZV [0,1,0,0,0,1|1,0,1]=4 2867 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 1P001N8R [0,1,0,0,0,1|1,0,1]=4 2868 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [0,1,0,0,0,1|1,0,0]=3 2869 B12R1.21 ClC(=O)COc1ccc(cc1)C 1P001O5A [0,1,0,0,0,1|1,0,0]=3 2870 B12R1.21 ClC(=O)COc1ccc(cc1)Cl 1P003LOG [0,1,0,0,0,1|1,0,0]=3 2871 B12R1.21 ClC(=O)OCc1ccc(cc1)Br 1P00F0AY [0,1,0,0,0,1|1,0,0]=3 2872 B12R1.21 ClC(=O)OCc1ccc(cc1)F 1P01BKOV [0,1,0,0,0,1|1,0,0]=3 2873 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)F 1P003LW1 [0,1,0,0,0,1|1,0,1]=4 2874 B12R1.21 Fc1ccc(cc1)CCS(=O)[O-] 1P0292CY [0,1,0,0,0,1|1,0,1]=4 2875 B12R1.21 Fc1ccc(nc1)C#CC(=O)O 1P01DRXC [0,1,0,0,0,1|1,0,1]=4 2876 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,1,0,0,0,1|2,0,0]=4 2877 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,1,0,0,0,1|2,0,0]=4 2878 B12R1.21 NC(=N)COc1ccc(cc1)Br 1P00J1V8 [0,1,0,0,0,1|2,0,0]=4 2879 B12R1.21 NC(=N)NCc1ccc(cc1)N 1P01FM75 [0,1,0,0,0,1|2,0,0]=4 2880 B12R1.21 NC(=N)SCc1ccc(cc1)Cl 1P003UMR [0,1,0,0,0,1|2,0,0]=4 2881 B12R1.21 NC(=NCc1ccc(cc1)Cl)N 1P01BAFY [0,1,0,0,0,1|2,0,0]=4 2882 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl 1P0023HB [0,1,0,0,0,1|1,0,1]=4 2883 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,1,0,0,0,1|1,0,0]=3 2884 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,1,0,0,0,1|1,0,0]=3 2885 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,1,0,0,0,1|1,0,0]=3 2886 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,1,0,0,0,1|1,0,0]=3 2887 B12R1.21 NC(=O)CNc1ccc(cc1)Br 1P027YGG [0,1,0,0,0,1|1,0,0]=3 2888 B12R1.21 NC(=O)CNc1ccc(cc1)F 1P004Y17 [0,1,0,0,0,1|1,0,0]=3 2889 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [0,1,0,0,0,1|1,0,0]=3 2890 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [0,1,0,0,0,1|1,0,0]=3 2891 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [0,1,0,0,0,1|1,0,0]=3 2892 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [0,1,0,0,0,1|1,0,0]=3 2893 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,0,1|1,0,0]=3 2894 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,0,1|1,0,0]=3 2895 B12R1.21 NC(=O)\C=C\c1ccc(cc1)Br 1P00CEQT [0,1,0,0,0,1|1,0,1]=4 2896 B12R1.21 NC(=S)COc1ccc(cc1)Br 1P01DHZG [0,1,0,0,0,1|1,1,0]=4 2897 B12R1.21 NC(=S)COc1ccc(cc1)C 1P019NW2 [0,1,0,0,0,1|1,1,0]=4 2898 B12R1.21 NC(=S)COc1ccc(cc1)Cl 1P003FCC [0,1,0,0,0,1|1,1,0]=4 2899 B12R1.21 NC(=S)COc1ccc(cc1)F 1P00CJP5 [0,1,0,0,0,1|1,1,0]=4 2900 B12R1.21 NC(=S)NCc1ccc(cc1)Br 1P01A66Q [0,1,0,0,0,1|1,1,0]=4 2901 B12R1.21 NC(=S)NCc1ccc(cc1)C 1P008SHU [0,1,0,0,0,1|1,1,0]=4 2902 B12R1.21 NC(=S)NCc1ccc(cc1)Cl 1P002Q1H [0,1,0,0,0,1|1,1,0]=4 2903 B12R1.21 NC(=S)NCc1ccc(cc1)F 1P00D6D0 [0,1,0,0,0,1|1,1,0]=4 2904 B12R1.21 NC(=[NH2+])SCc1ccc(cc1)F 1P00HH61 [0,1,0,0,0,1|2,0,0]=4 2905 B12R1.21 OC(=O)C#Cc1ccc(cc1)Br 1P00IMU7 [0,1,0,0,0,1|0,0,1]=3 2906 B12R1.21 OC(=O)C#Cc1ccc(cc1)C 1P006ZJ0 [0,1,0,0,0,1|0,0,1]=3 2907 B12R1.21 OC(=O)C#Cc1ccc(cc1)Cl 1P00CJ82 [0,1,0,0,0,1|0,0,1]=3 2908 B12R1.21 OC(=O)C#Cc1ccc(cc1)F 1P005U7Z [0,1,0,0,0,1|0,0,1]=3 2909 B12R1.21 OC(=O)C=Cc1ccc(cc1)Br 1P000QJ3 [0,1,0,0,0,1|0,0,1]=3 2910 B12R1.21 OC(=O)C=Cc1ccc(cc1)C 1P003M8E [0,1,0,0,0,1|0,0,1]=3 2911 B12R1.21 OC(=O)C=Cc1ccc(cc1)Cl 1P003LNV [0,1,0,0,0,1|0,0,1]=3 2912 B12R1.21 OC(=O)C=Cc1ccc(cc1)F 1P00I90C [0,1,0,0,0,1|0,0,1]=3 2913 B12R1.21 OC(=O)C=Cc1ccc(cc1)I 1P00BZS1 [0,1,0,0,0,1|0,0,1]=3 2914 B12R1.21 OC(=O)C=Cc1ccc(cc1)N 1P0034D9 [0,1,0,0,0,1|0,0,1]=3 2915 B12R1.21 OC(=O)C=Cc1ccc(cc1)O 1P005VCI [0,1,0,0,0,1|0,0,1]=3 2916 B12R1.21 OC(=O)C=Cc1ccc(cn1)C 1P01A71N [0,1,0,0,0,1|1,0,1]=4 2917 B12R1.21 OC(=O)C=Cc1ccc(cn1)F 1P006OXT [0,1,0,0,0,1|1,0,1]=4 2918 B12R1.21 OC(=O)C=Cc1ccc(nc1)Br 1P007GXU [0,1,0,0,0,1|1,0,1]=4 2919 B12R1.21 OC(=O)C=Cc1ccc(nc1)C 1P01A5CQ [0,1,0,0,0,1|1,0,1]=4 2920 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BEPD [0,1,0,0,0,1|1,0,0]=3 2921 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BG1F [0,1,0,0,0,1|1,0,0]=3 2922 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01FKKI [0,1,0,0,0,1|1,0,0]=3 2923 B12R1.21 OC(=O)CCc1ccc(=O)[nH]n1 1P00EECX [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [0,1,0,0,0,1|0,0,0]=2 2925 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [0,1,0,0,0,1|0,0,0]=2 2926 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [0,1,0,0,0,1|0,0,0]=2 2927 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [0,1,0,0,0,1|0,0,0]=2 2928 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [0,1,0,0,0,1|0,0,0]=2 2929 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [0,1,0,0,0,1|0,0,0]=2 2930 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [0,1,0,0,0,1|0,0,0]=2 2931 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [0,1,0,0,0,1|0,0,0]=2 2932 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [0,1,0,0,0,1|0,0,0]=2 2933 B12R1.21 OC(=O)CCc1ccc(cn1)Br 1P0094KV [0,1,0,0,0,1|1,0,0]=3 2934 B12R1.21 OC(=O)CCc1ccc(cn1)F 1P028NJJ [0,1,0,0,0,1|1,0,0]=3 2935 B12R1.21 OC(=O)CCc1ccc(cn1)N 1P01A6OD [0,1,0,0,0,1|1,0,0]=3 2936 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P00HEZW [0,1,0,0,0,1|1,0,0]=3 2937 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P0282DC [0,1,0,0,0,1|1,0,0]=3 2938 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P007878 [0,1,0,0,0,1|1,0,0]=3 2939 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P01A4AD [0,1,0,0,0,1|1,0,0]=3 2940 B12R1.21 OC(=O)CCc1ccc(nc1)F 1P00IIRI [0,1,0,0,0,1|1,0,0]=3 2941 B12R1.21 OC(=O)CCc1ccc(nc1)N 1P00396S [0,1,0,0,0,1|1,0,0]=3 2942 B12R1.21 OC(=O)CCc1ncc(cn1)F 1P01DZOP [0,1,0,0,0,1|2,0,0]=4 2943 B12R1.21 OC(=O)CNc1ccc(cc1)C 1P00BGWF [0,1,0,0,0,1|0,0,0]=2 2944 B12R1.21 OC(=O)CNc1ccc(cc1)Cl 1P00DDBO [0,1,0,0,0,1|0,0,0]=2 2945 B12R1.21 OC(=O)CNc1ccc(cc1)F 1P00C911 [0,1,0,0,0,1|0,0,0]=2 2946 B12R1.21 OC(=O)CNc1ccc(cc1)O 1P00170H [0,1,0,0,0,1|0,0,0]=2 2947 B12R1.21 OC(=O)CNc1ccc(nn1)Cl 1P019QJP [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.21 OC(=O)COc1ccc(cc1)Br 1P002GZL [0,1,0,0,0,1|0,0,0]=2 2949 B12R1.21 OC(=O)COc1ccc(cc1)C 1P003CD3 [0,1,0,0,0,1|0,0,0]=2 2950 B12R1.21 OC(=O)COc1ccc(cc1)Cl 1P00170G [0,1,0,0,0,1|0,0,0]=2 2951 B12R1.21 OC(=O)COc1ccc(cc1)F 1P003LWI [0,1,0,0,0,1|0,0,0]=2 2952 B12R1.21 OC(=O)COc1ccc(cc1)I 1P002GZK [0,1,0,0,0,1|0,0,0]=2 2953 B12R1.21 OC(=O)COc1ccc(cc1)N 1P001TCY [0,1,0,0,0,1|0,0,0]=2 2954 B12R1.21 OC(=O)COc1ccc(cc1)N 1P007PL9 [0,1,0,0,0,1|0,0,0]=2 2955 B12R1.21 OC(=O)COc1ccc(cc1)O 1P002GYE [0,1,0,0,0,1|0,0,0]=2 2956 B12R1.21 OC(=O)COc1ccc(cn1)Br 1P005J49 [0,1,0,0,0,1|1,0,0]=3 2957 B12R1.21 OC(=O)COc1ccc(cn1)Cl 1P01DTUD [0,1,0,0,0,1|1,0,0]=3 2958 B12R1.21 OC(=O)COc1ccc(cn1)F 1P01DTVR [0,1,0,0,0,1|1,0,0]=3 2959 B12R1.21 OC(=O)COc1ccc(nc1)Br 1P02841C [0,1,0,0,0,1|1,0,0]=3 2960 B12R1.21 OC(=O)COc1ccc(nc1)Cl 1P024H48 [0,1,0,0,0,1|1,0,0]=3 2961 B12R1.21 OC(=O)COc1ccc(nc1)F 1P028I03 [0,1,0,0,0,1|1,0,0]=3 2962 B12R1.21 OC(=O)COc1cnc(cn1)Cl 1P028T0I [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.21 OC(=O)COc1ncc(cn1)Br 1P00BJ3V [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.21 OC(=O)CSc1ccc(cc1)Br 1P00CM5B [0,1,0,0,0,1|0,0,0]=2 2965 B12R1.21 OC(=O)CSc1ccc(cc1)C 1P003M95 [0,1,0,0,0,1|0,0,0]=2 2966 B12R1.21 OC(=O)CSc1ccc(cc1)Cl 1P003F54 [0,1,0,0,0,1|0,0,0]=2 2967 B12R1.21 OC(=O)CSc1ccc(cc1)F 1P003CCK [0,1,0,0,0,1|0,0,0]=2 2968 B12R1.21 OC(=O)CSc1ccc(cc1)N 1P003FBE [0,1,0,0,0,1|0,0,0]=2 2969 B12R1.21 OC(=O)CSc1ccc(cc1)O 1P00D7Q2 [0,1,0,0,0,1|0,0,0]=2 2970 B12R1.21 OC(=O)CSc1ncc(cn1)Br 1P00DL58 [0,1,0,0,0,1|2,0,0]=4 2971 B12R1.21 OC(=O)\C=C\c1ccc(cc1)C 1P0038Z7 [0,1,0,0,0,1|0,0,1]=3 2972 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl 1P00GS50 [0,1,0,0,0,1|0,0,1]=3 2973 B12R1.21 OC(=O)\C=C\c1ccc(cc1)F 1P003CH4 [0,1,0,0,0,1|0,0,1]=3 2974 B12R1.21 OC(=O)\C=C\c1ccc(cc1)I 1P00J0EA [0,1,0,0,0,1|0,0,1]=3 2975 B12R1.21 OC(=O)\C=C\c1ccc(cc1)N 1P0021LJ [0,1,0,0,0,1|0,0,1]=3 2976 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O 1P00I9F1 [0,1,0,0,0,1|0,0,1]=3 2977 B12R1.21 OC(=O)\C=C\c1ccc(nc1)N 1P001Y4G [0,1,0,0,0,1|1,0,1]=4 2978 B12R1.21 [O-]C(=O)COc1ccc(cc1)Cl 1P0013JC [0,1,0,0,0,1|0,0,1]=3 2979 B12R1.21 [O-]C(=O)COc1ccc(cn1)Cl 1P024905 [0,1,0,0,0,1|1,0,1]=4 2980 B12R1.21 [O-]C(=O)CSc1ccc(cc1)F 1P019O6J [0,1,0,0,0,1|0,0,1]=3 2981 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [0,1,0,0,0,1|1,0,0]=3 2982 B12R1.27 BrCC(=O)COc1ccccc1 1P01A1CA [0,1,0,0,0,1|1,0,0]=3 2983 B12R1.27 BrCC(=O)NCc1ccccc1 1P00C2NQ [0,1,0,0,0,1|1,0,0]=3 2984 B12R1.27 BrCC(=O)OCc1ccccc1 1P003OK7 [0,1,0,0,0,1|1,0,0]=3 2985 B12R1.27 C#CC(=O)CCc1ccccc1 1P01BEL7 [0,1,0,0,0,1|1,0,0]=3 2986 B12R1.27 C#CC(=O)NCc1ccccc1 1P008F4K [0,1,0,0,0,1|1,0,0]=3 2987 B12R1.27 C#CC(=O)OCc1ccccc1 1P001K2Y [0,1,0,0,0,1|1,0,0]=3 2988 B12R1.27 C=CC(=O)NCc1ccccc1 1P00120N [0,1,0,0,0,1|1,0,0]=3 2989 B12R1.27 C=CC(=O)OCc1ccccc1 1P002QEW [0,1,0,0,0,1|1,0,0]=3 2990 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [0,1,0,0,0,1|1,0,0]=3 2991 B12R1.27 CCC(=O)NNc1ccccc1 1P002JFD [0,1,0,0,0,1|2,0,0]=4 2992 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [0,1,0,0,0,1|1,0,0]=3 2993 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [0,1,0,0,0,1|1,0,1]=4 2994 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [0,1,0,0,0,1|1,0,0]=3 2995 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [0,1,0,0,0,1|1,0,0]=3 2996 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [0,1,0,0,0,1|1,0,0]=3 2997 B12R1.27 COC(=O)C#Cc1ccccc1 1P003SIQ [0,1,0,0,0,1|0,0,1]=3 2998 B12R1.27 COC(=O)C#Cc1ccccn1 1P003S61 [0,1,0,0,0,1|1,0,1]=4 2999 B12R1.27 COC(=O)C#Cc1cccnc1 1P003S62 [0,1,0,0,0,1|1,0,1]=4 3000 B12R1.27 COC(=O)C=Cc1ccccc1 1P00HADA [0,1,0,0,0,1|0,0,1]=3 3001 B12R1.27 COC(=O)C=Cc1ccccn1 1P00I9JX [0,1,0,0,0,1|1,0,1]=4 3002 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [0,1,0,0,0,1|0,0,0]=2 3003 B12R1.27 COC(=O)CCc1ccccn1 1P002X42 [0,1,0,0,0,1|1,0,0]=3 3004 B12R1.27 COC(=O)CCc1cccnc1 1P003S63 [0,1,0,0,0,1|1,0,0]=3 3005 B12R1.27 COC(=O)CCc1ccncc1 1P00GTYO [0,1,0,0,0,1|1,0,0]=3 3006 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [0,1,0,0,0,1|0,0,0]=2 3007 B12R1.27 COC(=O)CNc1ccccn1 1P0002A2 [0,1,0,0,0,1|1,0,0]=3 3008 B12R1.27 COC(=O)CNc1ncccn1 1P01QZXO [0,1,0,0,0,1|2,0,0]=4 3009 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [0,1,0,0,0,1|0,0,0]=2 3010 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [0,1,0,0,0,1|0,0,0]=2 3011 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [0,1,0,0,0,1|0,0,0]=2 3012 B12R1.27 COC(=O)\C=C\c1ccccc1 1P0035PW [0,1,0,0,0,1|0,0,1]=3 3013 B12R1.27 COC(=O)\C=C\c1cccnc1 1P005GUE [0,1,0,0,0,1|1,0,1]=4 3014 B12R1.27 COC(=O)\C=C\c1ccncc1 1P005EUS [0,1,0,0,0,1|1,0,1]=4 3015 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [0,1,0,0,0,1|1,0,0]=3 3016 B12R1.27 ClCC(=O)COc1ccccc1 1P005WAY [0,1,0,0,0,1|1,0,0]=3 3017 B12R1.27 ClCC(=O)NCc1ccccc1 1P003T7T [0,1,0,0,0,1|1,0,0]=3 3018 B12R1.27 ClCC(=O)NCc1ccccn1 1P019JXK [0,1,0,0,0,1|2,0,0]=4 3019 B12R1.27 ClCC(=O)NCc1cccnc1 1P01ABI8 [0,1,0,0,0,1|2,0,0]=4 3020 B12R1.27 ClCC(=O)NCc1ccncc1 1P01DFU4 [0,1,0,0,0,1|2,0,0]=4 3021 B12R1.27 ClCC(=O)OCc1ccccc1 1P001CDL [0,1,0,0,0,1|1,0,0]=3 3022 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,1,0,0,0,1|1,0,1]=4 3023 B12R1.27 N#CC(=O)OCc1ccccc1 1P003OKR [0,1,0,0,0,1|1,0,0]=3 3024 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [0,1,0,0,0,1|1,0,0]=3 3025 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [0,1,0,0,0,1|1,0,0]=3 3026 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [0,1,0,0,0,1|1,0,0]=3 3027 B12R1.27 NCC(=O)NCc1ccccn1 1P00BL9G [0,1,0,0,0,1|2,0,0]=4 3028 B12R1.27 NCC(=O)NCc1ccccn1 1P019NOX [0,1,0,0,0,1|2,0,0]=4 3029 B12R1.27 NCC(=O)NCc1ccncc1 1P00A2Y9 [0,1,0,0,0,1|2,0,0]=4 3030 B12R1.27 NCC(=O)NCc1ccncc1 1P0291E8 [0,1,0,0,0,1|2,0,0]=4 3031 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [0,1,0,0,0,1|1,0,0]=3 3032 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [0,1,0,0,0,1|1,0,0]=3 3033 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [0,1,0,0,0,1|1,0,0]=3 3034 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [0,1,0,0,0,1|1,0,0]=3 3035 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,1,0,0,0,1|1,0,1]=4 3036 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [0,1,0,0,0,1|1,0,0]=3 3037 B12R1.27 NNC(=O)CCc1cccnc1 1P007HVQ [0,1,0,0,0,1|2,0,0]=4 3038 B12R1.27 NNC(=O)COc1ccccc1 1P00D9BF [0,1,0,0,0,1|1,0,0]=3 3039 B12R1.27 NNC(=O)CSc1ccccn1 1P00HATT [0,1,0,0,0,1|2,0,0]=4 3040 B12R1.27 NNC(=O)CSc1ccncc1 1P01A49N [0,1,0,0,0,1|2,0,0]=4 3041 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [0,1,0,0,0,1|1,0,0]=3 3042 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [0,1,0,0,0,1|1,0,0]=3 3043 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [0,1,0,0,0,1|1,0,0]=3 3044 B12R1.27 NNC(=S)NCc1ccccc1 1P003L9I [0,1,0,0,0,1|1,1,0]=4 3045 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,1,0,0,0,1|1,0,1]=4 3046 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,1,0,0,0,1|1,0,1]=4 3047 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [0,1,0,0,0,1|2,0,0]=4 3048 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [0,1,0,0,0,1|0,0,0]=2 3049 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [0,1,0,0,0,1|0,0,0]=2 3050 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [0,1,0,0,0,1|1,0,1]=4 3051 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,1,0,0,0,1|1,0,1]=4 3052 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,1,0,0,0,1|1,0,1]=4 3053 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,1,0,0,0,1|0,0,2]=4 3054 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,1,0,0,0,1|1,0,1]=4 3055 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [0,1,0,0,0,1|1,0,1]=4 3056 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,1,0,0,0,1|0,0,2]=4 3057 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [0,1,0,0,0,1|1,0,1]=4 3058 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,1,0,0,0,1|1,0,1]=4 3059 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [0,1,0,0,0,1|1,0,1]=4 3060 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [0,1,0,0,0,1|1,0,1]=4 3061 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,1,0,0,0,1|1,0,1]=4 3062 B12R1.27 ON=C(COc1ccccc1)N 1P006MTN [0,1,0,0,0,1|1,0,0]=3 3063 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [0,1,0,0,0,1|1,0,0]=3 3064 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [0,1,0,0,0,1|0,0,0]=2 3065 B12R1.27 SCC(=O)OCc1ccccc1 1P008QDV [0,1,0,0,0,1|0,1,0]=3 3066 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,0,1|1,0,0]=3 3067 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,1,0,0,0,1|1,0,0]=3 3068 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,0,1|1,0,0]=3 3069 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,1,0,0,0,1|0,0,0]=2 3070 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,1,0,0,0,1|0,0,0]=2 3071 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,1,0,0,0,1|0,0,0]=2 3072 B12R1.43 C=C(C(=O)O)Cc1ccccc1 1P0033LB [0,1,0,0,0,1|0,0,0]=2 3073 B12R1.43 C=C([N+](=O)[O-])Cc1ccccc1 1P00EISM [0,1,0,0,0,1|1,0,1]=4 3074 B12R1.43 CC(=Cc1ccccc1)C(=O)C 1P002ET2 [0,1,0,0,0,1|1,0,1]=4 3075 B12R1.43 CC(=Cc1ccccc1)C(=O)O 1P000QB8 [0,1,0,0,0,1|0,0,1]=3 3076 B12R1.43 CC(=Cc1ccncc1)C(=O)O 1P01B2DG [0,1,0,0,0,1|1,0,1]=4 3077 B12R1.43 CC(=O)N(Cc1cccnc1)C 1P0065KD [0,1,0,0,0,1|2,0,0]=4 3078 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,0,1|1,0,0]=3 3079 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,0,1|1,0,0]=3 3080 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,0,1|1,0,0]=3 3081 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,0,1|0,0,0]=2 3082 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P00CKM4 [0,1,0,0,0,1|1,0,0]=3 3083 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P028NU0 [0,1,0,0,0,1|1,0,0]=3 3084 B12R1.43 CC(C(=O)O)Cc1ncccn1 1P0055BA [0,1,0,0,0,1|2,0,0]=4 3085 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,0,1|0,0,0]=2 3086 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,0,1|0,0,0]=2 3087 B12R1.43 CC(C(=O)O)Sc1ncccn1 1P019WYM [0,1,0,0,0,1|2,0,0]=4 3088 B12R1.43 CN(C(=N)N)Cc1ccccc1 1P00J1YK [0,1,0,0,0,1|2,0,0]=4 3089 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,0,1|1,0,0]=3 3090 B12R1.43 CN(C(=O)C)Nc1ccccc1 1P01HYFP [0,1,0,0,0,1|2,0,0]=4 3091 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [0,1,0,0,0,1|1,0,0]=3 3092 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,0,1|1,0,0]=3 3093 B12R1.43 CN(C(=S)N)Cc1ccccc1 1P00DD9B [0,1,0,0,0,1|1,1,0]=4 3094 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,0,1|0,0,0]=2 3095 B12R1.43 C[C@@H](C(=O)O)Cc1ccncc1 1P028ODP [0,1,0,0,0,1|1,0,0]=3 3096 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,0,1|0,0,0]=2 3097 B12R1.43 C[C@@H](C(=O)O)Nc1ccncc1 1P027U03 [0,1,0,0,0,1|1,0,0]=3 3098 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,0,1|0,0,0]=2 3099 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,0,1|0,0,0]=2 3100 B12R1.43 C[C@H](C(=O)O)Cc1ccncc1 1P028NWN [0,1,0,0,0,1|1,0,0]=3 3101 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,0,1|0,0,0]=2 3102 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 1P002E6F [0,1,0,0,0,1|0,0,1]=3 3103 B12R1.43 F\C(=C\c1ccccc1)\C(=O)O 1P0029OI [0,1,0,0,0,1|0,0,1]=3 3104 B12R1.43 NC(=O)C(Cc1ccccn1)N 1P0285Z2 [0,1,0,0,0,1|2,0,0]=4 3105 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,0,1|1,0,0]=3 3106 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,0,1|1,0,0]=3 3107 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,0,1|1,0,0]=3 3108 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,1,0,0,0,1|0,0,0]=2 3109 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P001TJN [0,1,0,0,0,1|1,0,0]=3 3110 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P0074OI [0,1,0,0,0,1|1,0,0]=3 3111 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P009BEZ [0,1,0,0,0,1|1,0,0]=3 3112 B12R1.43 NC(C(=O)O)Cc1cncnc1 1P028UHU [0,1,0,0,0,1|2,0,0]=4 3113 B12R1.43 NC(C(=O)O)Cc1ncccn1 1P01C61T [0,1,0,0,0,1|2,0,0]=4 3114 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,0,1|1,0,0]=3 3115 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,0,1|1,0,0]=3 3116 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,1,0,0,0,1|0,0,0]=2 3117 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P003IM2 [0,1,0,0,0,1|1,0,0]=3 3118 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P00AP0A [0,1,0,0,0,1|1,0,0]=3 3119 B12R1.43 N[C@@H](C(=O)O)Cc1nccnc1 1P028QVW [0,1,0,0,0,1|2,0,0]=4 3120 B12R1.43 N[C@H](C(=N)O)Cc1ccccc1 1P003D1I [0,1,0,0,0,1|1,0,0]=3 3121 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,0,1|1,0,0]=3 3122 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,1,0,0,0,1|0,0,0]=2 3123 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,1,0,0,0,1|0,0,0]=2 3124 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,1,0,0,0,1|0,0,0]=2 3125 B12R1.43 N[C@H](C(=O)O)Cc1cccnn1 1P01KL1H [0,1,0,0,0,1|2,0,0]=4 3126 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0026YC [0,1,0,0,0,1|1,0,0]=3 3127 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0032XI [0,1,0,0,0,1|1,0,0]=3 3128 B12R1.43 N[C@H](C(=O)O)Cc1nccnc1 1P027W3H [0,1,0,0,0,1|2,0,0]=4 3129 B12R1.43 O=C(C(=O)O)Cc1ccccc1 1P001OVZ [0,1,0,0,0,1|0,0,0]=2 3130 B12R1.43 O=C(C(=O)O)Nc1ccccc1 1P00DD37 [0,1,0,0,0,1|0,0,1]=3 3131 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P000AQT [0,1,0,0,0,1|0,0,1]=3 3132 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00175E [0,1,0,0,0,1|0,0,1]=3 3133 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00I9QJ [0,1,0,0,0,1|0,0,1]=3 3134 B12R1.43 OC(=O)C(=Cc1ccccn1)C 1P01B2GB [0,1,0,0,0,1|1,0,1]=4 3135 B12R1.43 OC(=O)C(=Cc1cccnc1)C 1P01B2EH [0,1,0,0,0,1|1,0,1]=4 3136 B12R1.43 OC(=O)C(=Cc1cccnc1)F 1P01BBVI [0,1,0,0,0,1|1,0,1]=4 3137 B12R1.43 OC(=O)C(=O)Cc1ccccn1 1P01B8FP [0,1,0,0,0,1|1,0,0]=3 3138 B12R1.43 OC(=O)C(=O)Cc1ccccn1 1P01B8M6 [0,1,0,0,0,1|1,0,0]=3 3139 B12R1.43 OC(=O)C(=O)Cc1cccnc1 1P028AWU [0,1,0,0,0,1|1,0,0]=3 3140 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P0005RH [0,1,0,0,0,1|1,0,0]=3 3141 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P028B8G [0,1,0,0,0,1|1,0,0]=3 3142 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P001ZWT [0,1,0,0,0,1|1,0,0]=3 3143 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P019GDO [0,1,0,0,0,1|1,0,0]=3 3144 B12R1.43 OC(=O)C(Cc1ccccn1)O 1P028KW5 [0,1,0,0,0,1|1,0,0]=3 3145 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0020CV [0,1,0,0,0,1|1,0,0]=3 3146 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0092JB [0,1,0,0,0,1|1,0,0]=3 3147 B12R1.43 OC(=O)C(Cc1cccnc1)O 1P0045MJ [0,1,0,0,0,1|1,0,0]=3 3148 B12R1.43 OC(=O)C(Cc1ccncn1)N 1P01C52T [0,1,0,0,0,1|2,0,0]=4 3149 B12R1.43 OC(=O)C(Oc1ccccn1)C 1P01C2FK [0,1,0,0,0,1|1,0,0]=3 3150 B12R1.43 OC(=O)C(Oc1cccnc1)C 1P00D5IY [0,1,0,0,0,1|1,0,0]=3 3151 B12R1.43 OC(=O)C(Sc1ccccn1)C 1P00CI5Q [0,1,0,0,0,1|1,0,0]=3 3152 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N 1P003II4 [0,1,0,0,0,1|1,0,0]=3 3153 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)C 1P028PB3 [0,1,0,0,0,1|1,0,0]=3 3154 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P003FB3 [0,1,0,0,0,1|1,0,0]=3 3155 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00I7EE [0,1,0,0,0,1|1,0,0]=3 3156 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00IICL [0,1,0,0,0,1|1,0,0]=3 3157 B12R1.43 OC(=O)[C@@H](Cc1ccncn1)N 1P0293OL [0,1,0,0,0,1|2,0,0]=4 3158 B12R1.43 OC(=O)[C@@H](Nc1ccnnc1)C 1P01B7WK [0,1,0,0,0,1|2,0,0]=4 3159 B12R1.43 OC(=O)[C@H](Cc1ccccn1)N 1P003BQR [0,1,0,0,0,1|1,0,0]=3 3160 B12R1.43 OC(=O)[C@H](Cc1cccnc1)C 1P028QM0 [0,1,0,0,0,1|1,0,0]=3 3161 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P003D1H [0,1,0,0,0,1|1,0,0]=3 3162 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P006B5E [0,1,0,0,0,1|1,0,0]=3 3163 B12R1.43 OC(=O)[C@H](Cc1ccncn1)N 1P023JAX [0,1,0,0,0,1|2,0,0]=4 3164 B12R1.43 OC(=O)\C(=C\c1ccccn1)\C 1P00IB1K [0,1,0,0,0,1|1,0,1]=4 3165 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,0,1|1,0,0]=3 3166 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,1,0,0,0,1|0,0,0]=2 3167 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,1,0,0,0,1|0,0,0]=2 3168 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,1,0,0,0,1|0,0,0]=2 3169 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,1,0,0,0,1|0,0,0]=2 3170 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,1,0,0,0,1|0,0,0]=2 3171 B12R1.107 C=C(c1ccccc1)NC(=O)C 1P00F1Z1 [0,1,0,0,0,1|1,0,1]=4 3172 B12R1.107 CC(=CC(=O)O)c1ccccc1 1P000QAQ [0,1,0,0,0,1|0,0,1]=3 3173 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [0,1,0,0,0,1|2,0,0]=4 3174 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [0,1,0,0,0,1|2,0,0]=4 3175 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,1,0,0,0,1|0,0,0]=2 3176 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,1,0,0,0,1|1,0,0]=3 3177 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,0,1|1,0,0]=3 3178 B12R1.107 CC(c1ccccc1)NC(=S)N 1P00FCYI [0,1,0,0,0,1|1,1,0]=4 3179 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,1,0,0,0,1|1,0,0]=3 3180 B12R1.107 CC(c1ccncc1)CC(=O)O 1P00DE5H [0,1,0,0,0,1|1,0,0]=3 3181 B12R1.107 CC(c1ccncc1)CC(=O)O 1P01BVVQ [0,1,0,0,0,1|1,0,0]=3 3182 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,1,0,0,0,1|0,0,0]=2 3183 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,1,0,0,0,1|0,0,0]=2 3184 B12R1.107 CN(c1ccncc1)CC(=O)O 1P028DLS [0,1,0,0,0,1|1,0,0]=3 3185 B12R1.107 CN(c1cnccn1)CC(=O)O 1P019N5S [0,1,0,0,0,1|2,0,0]=4 3186 B12R1.107 CN(c1ncccn1)CC(=O)O 1P018SSS [0,1,0,0,0,1|2,0,0]=4 3187 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,1,0,0,0,1|0,0,0]=2 3188 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,1,0,0,0,1|0,0,0]=2 3189 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,1,0,0,0,1|1,0,0]=3 3190 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,0,1|1,0,0]=3 3191 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 1P005J10 [0,1,0,0,0,1|0,0,1]=3 3192 B12R1.107 Cl\C(=N/C(=O)Cl)\c1ccccc1 1P028WVM [0,1,0,0,0,1|1,0,1]=4 3193 B12R1.107 F\C(=C/C(=O)O)\c1ccccc1 1P028ELB [0,1,0,0,0,1|0,0,1]=3 3194 B12R1.107 F\C(=C\C(=O)O)\c1ccccc1 1P027U6A [0,1,0,0,0,1|0,0,1]=3 3195 B12R1.107 I\C(=C/C(=O)O)\c1ccccc1 1P028MCH [0,1,0,0,0,1|0,0,1]=3 3196 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,1,0,0,0,1|2,0,0]=4 3197 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,1,0,0,0,1|1,0,0]=3 3198 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,1,0,0,0,1|0,0,0]=2 3199 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,1,0,0,0,1|0,0,0]=2 3200 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,1,0,0,0,1|2,0,0]=4 3201 B12R1.107 NC(c1ccncc1)CC(=O)O 1P00BZAE [0,1,0,0,0,1|1,0,0]=3 3202 B12R1.107 NC(c1ccncc1)CC(=O)O 1P01B5IG [0,1,0,0,0,1|1,0,0]=3 3203 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,1,0,0,0,1|0,0,0]=2 3204 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,1,0,0,0,1|0,0,0]=2 3205 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,1,0,0,0,1|0,0,0]=2 3206 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,1,0,0,0,1|0,0,0]=2 3207 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,0,1|1,0,0]=3 3208 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [0,1,0,0,0,1|0,0,1]=3 3209 B12R1.107 O=C(c1ccccc1)C[N+](=O)[O-] 1P003OJT [0,1,0,0,0,1|1,0,1]=4 3210 B12R1.107 O=C(c1ccccc1)NC(=O)N 1P003OJV [0,1,0,0,0,1|1,0,1]=4 3211 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [0,1,0,0,0,1|2,0,0]=4 3212 B12R1.107 OC(=O)CC(c1ccccn1)C 1P00H5G0 [0,1,0,0,0,1|1,0,0]=3 3213 B12R1.107 OC(=O)CC(c1ccccn1)N 1P01A2VT [0,1,0,0,0,1|1,0,0]=3 3214 B12R1.107 OC(=O)CC(c1cccnc1)C 1P01AJ2C [0,1,0,0,0,1|1,0,0]=3 3215 B12R1.107 OC(=O)CC(c1cccnc1)N 1P0032W9 [0,1,0,0,0,1|1,0,0]=3 3216 B12R1.107 OC(=O)CN(c1ccccn1)C 1P0005JD [0,1,0,0,0,1|1,0,0]=3 3217 B12R1.107 OC(=O)C[C@@H](c1cccnc1)N 1P00810F [0,1,0,0,0,1|1,0,0]=3 3218 B12R1.107 OC(=O)C[C@H](c1ccccn1)N 1P024G2A [0,1,0,0,0,1|1,0,0]=3 3219 B12R1.107 OC(=O)C[C@H](c1cccnc1)N 1P001O1I [0,1,0,0,0,1|1,0,0]=3 3220 B12R1.107 OC(=O)\C=C(\c1cccnc1)/F 1P02856W [0,1,0,0,0,1|1,0,1]=4 3221 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,1,0,0,0,1|0,0,0]=2 3222 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,1,0,0,0,1|0,0,0]=2 3223 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,1,0,0,0,1|0,0,0]=2 3224 B12R1.125 CC(=C)COc1ccccc1Br 1P00061Q [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.125 CC(=C)COc1ccccc1N 1P00DDN9 [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.125 CC(=C)COc1ccccc1N 1P00J245 [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,1,0,0,0,1|1,0,0]=3 3228 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,1,0,0,0,1|1,0,0]=3 3229 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,1,0,0,0,1|1,0,0]=3 3230 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,1,0,0,0,1|1,0,0]=3 3231 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,1,0,0,0,1|1,0,0]=3 3232 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,1,0,0,0,1|1,0,0]=3 3233 B12R1.125 CC(=O)NNc1ccccc1F 1P01EKID [0,1,0,0,0,1|2,0,0]=4 3234 B12R1.125 CC(COc1ccccc1C)O 1P003DBV [0,1,0,0,0,1|1,0,1]=4 3235 B12R1.125 C[C@H](COc1ccccc1O)O 1P027W1Q [0,1,0,0,0,1|1,0,1]=4 3236 B12R1.125 Cc1ccncc1C=CC(=O)O 1P01A70S [0,1,0,0,0,1|1,0,1]=4 3237 B12R1.125 Cc1ccncc1CCC(=O)O 1P000ZN8 [0,1,0,0,0,1|1,0,0]=3 3238 B12R1.125 Cc1ncccc1C=CC(=O)O 1P01AV9J [0,1,0,0,0,1|1,0,1]=4 3239 B12R1.125 Cc1ncccc1CCC(=O)O 1P00ICJI [0,1,0,0,0,1|1,0,0]=3 3240 B12R1.125 Cc1ncccc1CCC(=O)O 1P0281ED [0,1,0,0,0,1|1,0,0]=3 3241 B12R1.125 ClC(=O)C=Cc1ccccc1Cl 1P003HIP [0,1,0,0,0,1|1,0,1]=4 3242 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [0,1,0,0,0,1|1,0,0]=3 3243 B12R1.125 ClC(=O)OCc1ccccc1Cl 1P003HIJ [0,1,0,0,0,1|1,0,0]=3 3244 B12R1.125 ClC(=O)OCc1ccccc1F 1P01B3WB [0,1,0,0,0,1|1,0,0]=3 3245 B12R1.125 ClC(=O)\C=C\c1ccccc1Br 1P00JD7K [0,1,0,0,0,1|1,0,1]=4 3246 B12R1.125 NC(=N)COc1ccccc1C 1P019XTZ [0,1,0,0,0,1|2,0,0]=4 3247 B12R1.125 NC(=N)COc1ccccc1Cl 1P00EDLZ [0,1,0,0,0,1|2,0,0]=4 3248 B12R1.125 NC(=N)NCc1ccccc1Br 1P01FLEP [0,1,0,0,0,1|2,0,0]=4 3249 B12R1.125 NC(=N)NCc1ccccc1F 1P01EI95 [0,1,0,0,0,1|2,0,0]=4 3250 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,1,0,0,0,1|1,0,0]=3 3251 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,1,0,0,0,1|1,0,0]=3 3252 B12R1.125 NC(=O)CNc1ccccc1Br 1P027XV8 [0,1,0,0,0,1|1,0,0]=3 3253 B12R1.125 NC(=O)COc1ccccc1C 1P00BXOH [0,1,0,0,0,1|1,0,0]=3 3254 B12R1.125 NC(=O)COc1ccccc1Cl 1P003F81 [0,1,0,0,0,1|1,0,0]=3 3255 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [0,1,0,0,0,1|1,0,0]=3 3256 B12R1.125 NC(=O)CSc1ccccc1N 1P019OTG [0,1,0,0,0,1|1,0,0]=3 3257 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,0,1|1,0,0]=3 3258 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,0,1|1,0,0]=3 3259 B12R1.125 NC(=O)\C=C\c1ccccc1F 1P01EY2F [0,1,0,0,0,1|1,0,1]=4 3260 B12R1.125 NC(=S)COc1ccccc1F 1P028ZN3 [0,1,0,0,0,1|1,1,0]=4 3261 B12R1.125 OC(=O)C#Cc1ccccc1C 1P00JTBO [0,1,0,0,0,1|0,0,1]=3 3262 B12R1.125 OC(=O)C#Cc1ccccc1Cl 1P00JTBJ [0,1,0,0,0,1|0,0,1]=3 3263 B12R1.125 OC(=O)C#Cc1ccccc1F 1P00FEGZ [0,1,0,0,0,1|0,0,1]=3 3264 B12R1.125 OC(=O)C=Cc1ccccc1Br 1P0033MW [0,1,0,0,0,1|0,0,1]=3 3265 B12R1.125 OC(=O)C=Cc1ccccc1C 1P019O2E [0,1,0,0,0,1|0,0,1]=3 3266 B12R1.125 OC(=O)C=Cc1ccccc1Cl 1P0033PW [0,1,0,0,0,1|0,0,1]=3 3267 B12R1.125 OC(=O)C=Cc1ccccc1F 1P003HSF [0,1,0,0,0,1|0,0,1]=3 3268 B12R1.125 OC(=O)C=Cc1ncccc1C 1P01A6KK [0,1,0,0,0,1|1,0,1]=4 3269 B12R1.125 OC(=O)C=Cc1ncccc1C 1P01AC40 [0,1,0,0,0,1|1,0,1]=4 3270 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [0,1,0,0,0,1|0,0,0]=2 3271 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [0,1,0,0,0,1|0,0,0]=2 3272 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [0,1,0,0,0,1|0,0,0]=2 3273 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [0,1,0,0,0,1|0,0,0]=2 3274 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [0,1,0,0,0,1|0,0,0]=2 3275 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [0,1,0,0,0,1|0,0,0]=2 3276 B12R1.125 OC(=O)CCc1cccnc1Cl 1P01B612 [0,1,0,0,0,1|1,0,0]=3 3277 B12R1.125 OC(=O)CCc1cccnc1F 1P00IIRH [0,1,0,0,0,1|1,0,0]=3 3278 B12R1.125 OC(=O)CCc1ccncc1C 1P00HBM0 [0,1,0,0,0,1|1,0,0]=3 3279 B12R1.125 OC(=O)CCc1ccncc1F 1P0201YO [0,1,0,0,0,1|1,0,0]=3 3280 B12R1.125 OC(=O)CCc1cncnc1O 1P01CAP4 [0,1,0,0,0,1|2,0,0]=4 3281 B12R1.125 OC(=O)CCc1ncccc1C 1P00ICJG [0,1,0,0,0,1|1,0,0]=3 3282 B12R1.125 OC(=O)CCn1ccccc1=O 1P00FFU4 [0,1,0,0,0,1|1,0,0]=3 3283 B12R1.125 OC(=O)CCn1cccnc1=O 1P019V8M [0,1,0,0,0,1|2,0,0]=4 3284 B12R1.125 OC(=O)CNc1ccccc1Cl 1P00FHKA [0,1,0,0,0,1|0,0,0]=2 3285 B12R1.125 OC(=O)CNc1ccccc1F 1P00D9L6 [0,1,0,0,0,1|0,0,0]=2 3286 B12R1.125 OC(=O)COc1ccccc1Br 1P002H0V [0,1,0,0,0,1|0,0,0]=2 3287 B12R1.125 OC(=O)COc1ccccc1C 1P002GYV [0,1,0,0,0,1|0,0,0]=2 3288 B12R1.125 OC(=O)COc1ccccc1F 1P003C3Z [0,1,0,0,0,1|0,0,0]=2 3289 B12R1.125 OC(=O)COc1ccccc1O 1P003HWK [0,1,0,0,0,1|0,0,0]=2 3290 B12R1.125 OC(=O)COc1cccnc1Cl 1P0290SA [0,1,0,0,0,1|1,0,0]=3 3291 B12R1.125 OC(=O)CSc1cccc[n+]1[O-] 1P0057C6 [0,1,0,0,0,1|1,0,0]=3 3292 B12R1.125 OC(=O)CSc1ccccc1Br 1P01DUSN [0,1,0,0,0,1|0,0,0]=2 3293 B12R1.125 OC(=O)CSc1ccccc1C 1P00ADC0 [0,1,0,0,0,1|0,0,0]=2 3294 B12R1.125 OC(=O)CSc1ccccc1Cl 1P00ALGW [0,1,0,0,0,1|0,0,0]=2 3295 B12R1.125 OC(=O)CSc1ccccc1F 1P005UWQ [0,1,0,0,0,1|0,0,0]=2 3296 B12R1.125 OC(=O)CSc1ccccc1O 1P00536S [0,1,0,0,0,1|0,0,0]=2 3297 B12R1.125 OC(=O)\C=C\c1ccccc1Br 1P008OSG [0,1,0,0,0,1|0,0,1]=3 3298 B12R1.125 OC(=O)\C=C\c1ccccc1C 1P003I5R [0,1,0,0,0,1|0,0,1]=3 3299 B12R1.125 OC(=O)\C=C\c1ccccc1Cl 1P006B5H [0,1,0,0,0,1|0,0,1]=3 3300 B12R1.125 OC(=O)\C=C\c1ccccc1F 1P002E51 [0,1,0,0,0,1|0,0,1]=3 3301 B12R1.125 OC(=O)\C=C\c1ccccc1O 1P00IBBN [0,1,0,0,0,1|0,0,1]=3 3302 B12R1.125 OC(=O)\C=C\c1cccnc1F 1P0290X9 [0,1,0,0,0,1|1,0,1]=4 3303 B12R1.125 OC(=O)\C=C\c1ccncc1C 1P0289UN [0,1,0,0,0,1|1,0,1]=4 3304 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [0,1,0,0,0,1|0,0,1]=3 3305 B12R1.125 [O-]C(=O)COc1ccncc1Cl 1P02939E [0,1,0,0,0,1|1,0,1]=4 3306 B12R1.125 [O-]C(=O)COc1ncccc1Cl 1P02804Y [0,1,0,0,0,1|1,0,1]=4 3307 B12R1.226 Brc1cccc(c1)C#CC(=O)O 1P01B5WY [0,1,0,0,0,1|0,0,1]=3 3308 B12R1.226 CC(=C)COc1cccc(c1)Br 1P01EMHA [0,1,0,0,0,1|2,0,0]=4 3309 B12R1.226 CC(=C)COc1cccc(c1)N 1P0082V8 [0,1,0,0,0,1|2,0,0]=4 3310 B12R1.226 CC(=C)COc1cccc(c1)N 1P0090ZE [0,1,0,0,0,1|2,0,0]=4 3311 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [0,1,0,0,0,1|2,0,0]=4 3312 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,1,0,0,0,1|1,0,0]=3 3313 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,1,0,0,0,1|1,0,0]=3 3314 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,1,0,0,0,1|1,0,0]=3 3315 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,1,0,0,0,1|1,0,0]=3 3316 B12R1.226 CC(=O)NCc1cc(Br)ccn1 1P021MOH [0,1,0,0,0,1|2,0,0]=4 3317 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,1,0,0,0,1|1,0,0]=3 3318 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,1,0,0,0,1|1,0,0]=3 3319 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,1,0,0,0,1|1,0,0]=3 3320 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,1,0,0,0,1|1,0,0]=3 3321 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br 1P006TTF [0,1,0,0,0,1|1,0,1]=4 3322 B12R1.226 CC(COc1cccc(c1)C)O 1P003DE7 [0,1,0,0,0,1|1,0,1]=4 3323 B12R1.226 CC(COc1cccc(c1)F)O 1P01AHN2 [0,1,0,0,0,1|1,0,1]=4 3324 B12R1.226 Cc1cc(CCC(=O)O)ncc1 1P00HA8Z [0,1,0,0,0,1|1,0,0]=3 3325 B12R1.226 Cc1cc(NCC(=O)O)ncn1 1P01AKRF [0,1,0,0,0,1|2,0,0]=4 3326 B12R1.226 Cc1cccc(c1)C#CC(=O)O 1P00JTBN [0,1,0,0,0,1|0,0,1]=3 3327 B12R1.226 Cc1cccc(n1)CCC(=O)O 1P00G80C [0,1,0,0,0,1|1,0,0]=3 3328 B12R1.226 Cc1cncc(n1)OCC(=O)O 1P0289NB [0,1,0,0,0,1|2,0,0]=4 3329 B12R1.226 Cc1nc(CCC(=O)O)ccn1 1P01B867 [0,1,0,0,0,1|2,0,0]=4 3330 B12R1.226 ClC(=O)COc1cccc(c1)F 1P00IMRM [0,1,0,0,0,1|1,0,0]=3 3331 B12R1.226 ClC(=O)OCc1cccc(c1)Cl 1P01AM7P [0,1,0,0,0,1|1,0,0]=3 3332 B12R1.226 Clc1cccc(c1)C#CC(=O)O 1P005JBM [0,1,0,0,0,1|0,0,1]=3 3333 B12R1.226 Fc1cccc(c1)C#CC(=O)O 1P00JTBQ [0,1,0,0,0,1|0,0,1]=3 3334 B12R1.226 NC(=N)COc1cccc(c1)Cl 1P00J1V6 [0,1,0,0,0,1|2,0,0]=4 3335 B12R1.226 NC(=N)COc1cccc(c1)F 1P019G1A [0,1,0,0,0,1|2,0,0]=4 3336 B12R1.226 NC(=N)NCc1cccc(c1)I 1P004JN7 [0,1,0,0,0,1|2,0,0]=4 3337 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008MPG [0,1,0,0,0,1|2,0,0]=4 3338 B12R1.226 NC(=N)NCc1cccc(c1)I 1P008TI1 [0,1,0,0,0,1|2,0,0]=4 3339 B12R1.226 NC(=N)NCc1cccc(c1)O 1P027XSB [0,1,0,0,0,1|2,0,0]=4 3340 B12R1.226 NC(=N)SCc1cccc(c1)C 1P00JWGI [0,1,0,0,0,1|2,0,0]=4 3341 B12R1.226 NC(=N)SCc1cccc(c1)C 1P019ODH [0,1,0,0,0,1|2,0,0]=4 3342 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,1,0,0,0,1|1,0,0]=3 3343 B12R1.226 NC(=O)CCc1cncc(c1)C 1P028WSI [0,1,0,0,0,1|2,0,0]=4 3344 B12R1.226 NC(=O)CNc1cccc(c1)F 1P0292E1 [0,1,0,0,0,1|1,0,0]=3 3345 B12R1.226 NC(=O)COc1cccc(c1)Br 1P00C2B9 [0,1,0,0,0,1|1,0,0]=3 3346 B12R1.226 NC(=O)COc1cccc(c1)C 1P0001MA [0,1,0,0,0,1|1,0,0]=3 3347 B12R1.226 NC(=O)COc1cccc(c1)N 1P019L2R [0,1,0,0,0,1|1,0,0]=3 3348 B12R1.226 NC(=O)COc1cccc(c1)O 1P01A2YY [0,1,0,0,0,1|1,0,0]=3 3349 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,0,1|1,0,0]=3 3350 B12R1.226 NC(=S)CCc1cccc(c1)Cl 1P0292N4 [0,1,0,0,0,1|1,1,0]=4 3351 B12R1.226 NC(=S)COc1cccc(c1)C 1P01ZY8M [0,1,0,0,0,1|1,1,0]=4 3352 B12R1.226 NC(=S)COc1cccc(c1)Cl 1P00C7UN [0,1,0,0,0,1|1,1,0]=4 3353 B12R1.226 Nc1cccc(c1)C#CC(=O)O 1P0285XG [0,1,0,0,0,1|0,0,1]=3 3354 B12R1.226 OC(=O)C=Cc1cccc(c1)Br 1P00I6R2 [0,1,0,0,0,1|0,0,1]=3 3355 B12R1.226 OC(=O)C=Cc1cccc(c1)C 1P002ZYM [0,1,0,0,0,1|0,0,1]=3 3356 B12R1.226 OC(=O)C=Cc1cccc(c1)Cl 1P00I2AM [0,1,0,0,0,1|0,0,1]=3 3357 B12R1.226 OC(=O)C=Cc1cccc(c1)F 1P00DET3 [0,1,0,0,0,1|0,0,1]=3 3358 B12R1.226 OC(=O)C=Cc1cccc(c1)O 1P00E9RN [0,1,0,0,0,1|0,0,1]=3 3359 B12R1.226 OC(=O)C=Cc1cncc(c1)C 1P01A200 [0,1,0,0,0,1|1,0,1]=4 3360 B12R1.226 OC(=O)C=Cc1cncc(c1)F 1P01ABH2 [0,1,0,0,0,1|1,0,1]=4 3361 B12R1.226 OC(=O)C=Cc1cncc(c1)O 1P01A3D9 [0,1,0,0,0,1|1,0,1]=4 3362 B12R1.226 OC(=O)CCc1cc(F)ccn1 1P00I1SJ [0,1,0,0,0,1|1,0,0]=3 3363 B12R1.226 OC(=O)CCc1cccc(=O)[nH]1 1P028QAQ [0,1,0,0,0,1|1,0,0]=3 3364 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [0,1,0,0,0,1|0,0,0]=2 3365 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [0,1,0,0,0,1|0,0,0]=2 3366 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [0,1,0,0,0,1|0,0,0]=2 3367 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [0,1,0,0,0,1|0,0,0]=2 3368 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [0,1,0,0,0,1|0,0,0]=2 3369 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [0,1,0,0,0,1|0,0,0]=2 3370 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [0,1,0,0,0,1|0,0,0]=2 3371 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [0,1,0,0,0,1|0,0,0]=2 3372 B12R1.226 OC(=O)CCc1ccnc(c1)Br 1P020LCI [0,1,0,0,0,1|1,0,0]=3 3373 B12R1.226 OC(=O)CCc1ccnc(c1)C 1P002TL0 [0,1,0,0,0,1|1,0,0]=3 3374 B12R1.226 OC(=O)CCc1ccnc(c1)Cl 1P02900N [0,1,0,0,0,1|1,0,0]=3 3375 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P0007EH [0,1,0,0,0,1|1,0,0]=3 3376 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P01A527 [0,1,0,0,0,1|1,0,0]=3 3377 B12R1.226 OC(=O)CCc1cncc(c1)C 1P00HIV3 [0,1,0,0,0,1|1,0,0]=3 3378 B12R1.226 OC(=O)CCc1cncc(c1)F 1P01A4ZW [0,1,0,0,0,1|1,0,0]=3 3379 B12R1.226 OC(=O)CCc1cncc(c1)O 1P01A7FZ [0,1,0,0,0,1|1,0,0]=3 3380 B12R1.226 OC(=O)CNc1cccc(c1)Cl 1P0007W7 [0,1,0,0,0,1|0,0,0]=2 3381 B12R1.226 OC(=O)CNc1cccc(n1)Br 1P027VTH [0,1,0,0,0,1|1,0,0]=3 3382 B12R1.226 OC(=O)CNc1cncc(n1)Cl 1P00HDMN [0,1,0,0,0,1|2,0,0]=4 3383 B12R1.226 OC(=O)COc1cc(Cl)ccn1 1P01DMT4 [0,1,0,0,0,1|1,0,0]=3 3384 B12R1.226 OC(=O)COc1cccc(c1)Br 1P0027QK [0,1,0,0,0,1|0,0,0]=2 3385 B12R1.226 OC(=O)COc1cccc(c1)C 1P001V8J [0,1,0,0,0,1|0,0,0]=2 3386 B12R1.226 OC(=O)COc1cccc(c1)Cl 1P003C8L [0,1,0,0,0,1|0,0,0]=2 3387 B12R1.226 OC(=O)COc1cccc(c1)F 1P003C91 [0,1,0,0,0,1|0,0,0]=2 3388 B12R1.226 OC(=O)COc1cccc(c1)I 1P00B463 [0,1,0,0,0,1|0,0,0]=2 3389 B12R1.226 OC(=O)COc1cccc(c1)N 1P00EC9G [0,1,0,0,0,1|0,0,0]=2 3390 B12R1.226 OC(=O)COc1cccc(c1)O 1P002GYF [0,1,0,0,0,1|0,0,0]=2 3391 B12R1.226 OC(=O)COc1cccc(n1)F 1P0281BX [0,1,0,0,0,1|1,0,0]=3 3392 B12R1.226 OC(=O)COc1cncc(c1)Br 1P01A6GS [0,1,0,0,0,1|1,0,0]=3 3393 B12R1.226 OC(=O)COc1cncc(c1)Br 1P028P3P [0,1,0,0,0,1|1,0,0]=3 3394 B12R1.226 OC(=O)COc1cncc(n1)Cl 1P01AFO8 [0,1,0,0,0,1|2,0,0]=4 3395 B12R1.226 OC(=O)CSc1cccc(c1)Br 1P00CRD4 [0,1,0,0,0,1|0,0,0]=2 3396 B12R1.226 OC(=O)CSc1cccc(c1)C 1P00D0KB [0,1,0,0,0,1|0,0,0]=2 3397 B12R1.226 OC(=O)CSc1cccc(c1)Cl 1P00CIHP [0,1,0,0,0,1|0,0,0]=2 3398 B12R1.226 OC(=O)CSc1cccc(c1)F 1P00CZNX [0,1,0,0,0,1|0,0,0]=2 3399 B12R1.226 OC(=O)CSc1cccc(n1)Br 1P027TV4 [0,1,0,0,0,1|1,0,0]=3 3400 B12R1.226 OC(=O)CSc1cncc(n1)Cl 1P00GU9J [0,1,0,0,0,1|2,0,0]=4 3401 B12R1.226 OC(=O)CSc1nccc(n1)C 1P003FGV [0,1,0,0,0,1|2,0,0]=4 3402 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br 1P001KJC [0,1,0,0,0,1|0,0,1]=3 3403 B12R1.226 OC(=O)\C=C\c1cccc(c1)C 1P001KJT [0,1,0,0,0,1|0,0,1]=3 3404 B12R1.226 OC(=O)\C=C\c1cccc(c1)Cl 1P001KJD [0,1,0,0,0,1|0,0,1]=3 3405 B12R1.226 OC(=O)\C=C\c1cccc(c1)F 1P002AW9 [0,1,0,0,0,1|0,0,1]=3 3406 B12R1.226 OC(=O)\C=C\c1cccc(c1)I 1P00BZ26 [0,1,0,0,0,1|0,0,1]=3 3407 B12R1.226 OC(=O)\C=C\c1cccc(c1)N 1P000XW0 [0,1,0,0,0,1|0,0,1]=3 3408 B12R1.226 OC(=O)\C=C\c1cccc(c1)O 1P001FFZ [0,1,0,0,0,1|0,0,1]=3 3409 B12R1.226 OC(=O)\C=C\c1cccc(n1)Cl 1P028ZLK [0,1,0,0,0,1|1,0,1]=4 3410 B12R1.226 OC(=O)\C=C\c1ccnc(c1)Br 1P01DMLJ [0,1,0,0,0,1|1,0,1]=4 3411 B12R1.226 OC(=O)\C=C\c1ccnc(c1)C 1P00LLD7 [0,1,0,0,0,1|1,0,1]=4 3412 B12R1.226 OC(=O)\C=C\c1ccnc(c1)Cl 1P01EMGU [0,1,0,0,0,1|1,0,1]=4 3413 B12R1.226 Oc1cccc(c1)C#CC(=O)O 1P01CAA5 [0,1,0,0,0,1|0,0,1]=3 3414 B12R1.891 C([2H])(COc1ccccc1)(O)[2H] 1P00BEZP [0,1,0,0,0,1|1,0,1]=4 3415 B12R1.891 CC(CCc1ccccc1)(O)C 1P003I40 [0,1,0,0,0,1|1,0,1]=4 3416 B12R1.891 CC(COc1ccccc1)(O)C 1P01AIGV [0,1,0,0,0,1|1,0,1]=4 3417 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [0,1,0,0,0,1|1,0,1]=4 3418 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [0,1,0,0,0,1|1,0,1]=4 3419 B12R1.891 ClS(=O)(=O)CCc1ccccc1 1P007497 [0,1,0,0,0,1|1,0,1]=4 3420 B12R1.891 ClS(=O)(=O)NCc1ccccc1 1P019MGW [0,1,0,0,0,1|1,0,1]=4 3421 B12R1.891 FS(=O)(=O)CCc1ccccc1 1P01ALG4 [0,1,0,0,0,1|1,0,1]=4 3422 B12R1.891 NS(=O)(=O)CCc1ccccc1 1P01A8RG [0,1,0,0,0,1|1,0,1]=4 3423 B12R1.891 NS(=O)(=O)NCc1ccccc1 1P009CVK [0,1,0,0,0,1|1,0,1]=4 3424 B12R1.891 NS(=O)(=O)OCc1ccccc1 1P028CWY [0,1,0,0,0,1|1,0,1]=4 3425 B12R1.891 OP(=O)(CCc1ccccc1)O 1P003IC5 [0,1,0,0,0,1|1,0,0]=3 3426 B12R1.891 OP(=O)(OCc1ccccc1)O 1P01NJ4M [0,1,0,0,0,1|1,0,0]=3 3427 B12R1.891 OS(=O)(=O)CCc1ccncc1 1P003MH6 [0,1,0,0,0,1|2,0,0]=4 3428 B12R1.891 OS(=O)(=O)\C=C\c1ccccc1 1P00ACAC [0,1,0,0,0,1|1,0,1]=4 3429 B12R1.891 [O-]S(=O)(=O)CCc1ccccc1 1P01G4LQ [0,1,0,0,0,1|1,0,1]=4 3430 B12R1.4 BrCc1ccc(cc1)CC(=O)O 1P0013NI [0,2,0,0,0,0|0,0,0]=2 3431 B12R1.4 BrCc1ccc(cc1)OC(=O)C 1P00DG7O [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.4 C#Cc1ccc(cc1)CC(=O)O 1P01FQSZ [0,2,0,0,0,0|0,0,0]=2 3433 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1P00I7HZ [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 1P002T1M [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.4 CCc1ccc(cc1)CC(=O)C 1P003DFZ [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.4 CCc1ccc(cc1)CC(=O)O 1P001IZ6 [0,2,0,0,0,0|0,0,0]=2 3437 B12R1.4 CCc1ccc(cc1)NC(=O)C 1P00CN3E [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.4 CCc1ccc(cc1)OC(=O)C 1P003O3C [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.4 CCc1ccc(nc1)CC(=O)O 1P01C20V [0,2,0,0,0,0|1,0,0]=3 3440 B12R1.4 COc1ccc(cc1)CC(=O)C 1P00170J [0,2,0,0,0,0|1,0,0]=3 3441 B12R1.4 COc1ccc(cc1)CC(=O)Cl 1P003M5H [0,2,0,0,0,0|1,0,0]=3 3442 B12R1.4 COc1ccc(cc1)CC(=O)N 1P003M5D [0,2,0,0,0,0|1,0,0]=3 3443 B12R1.4 COc1ccc(cc1)CC(=O)O 1P003M5E [0,2,0,0,0,0|0,0,0]=2 3444 B12R1.4 COc1ccc(cc1)CC(O)C 1P00304I [0,2,0,0,0,0|1,0,1]=4 3445 B12R1.4 COc1ccc(cc1)NC(=O)C 1P003STL [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.4 COc1ccc(cc1)NC(=O)N 1P001PBL [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.4 COc1ccc(cc1)OC(=O)Cl 1P003M58 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.4 COc1ccc(cn1)CC(=O)C 1P01C350 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.4 COc1ccc(cn1)CC(=O)O 1P003NQA [0,2,0,0,0,0|1,0,0]=3 3450 B12R1.4 COc1ccc(nc1)CC(=O)O 1P009Z9H [0,2,0,0,0,0|1,0,0]=3 3451 B12R1.4 COc1ccc(nc1)CC(=O)O 1P01BGB2 [0,2,0,0,0,0|1,0,0]=3 3452 B12R1.4 CSc1ccc(cc1)CC(=O)O 1P001WF3 [0,2,0,0,0,0|0,0,0]=2 3453 B12R1.4 ClCc1ccc(cc1)CC(=O)O 1P00DIBK [0,2,0,0,0,0|0,0,0]=2 3454 B12R1.4 ClCc1ccc(cc1)NC(=O)C 1P00DACA [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.4 ClCc1ccc(cc1)OC(=O)C 1P003KNJ [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.4 ICc1ccc(cc1)OC(=O)C 1P002GLT [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.4 N#Cc1ccc(cc1)CC(=O)C 1P00EATG [0,2,0,0,0,0|1,0,0]=3 3458 B12R1.4 N#Cc1ccc(cc1)CC(=O)N 1P0091Z6 [0,2,0,0,0,0|1,0,0]=3 3459 B12R1.4 N#Cc1ccc(cc1)CC(=O)O 1P00D8J7 [0,2,0,0,0,0|0,0,0]=2 3460 B12R1.4 N#Cc1ccc(cc1)CS(=O)C 1P01DU12 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.4 N#Cc1ccc(cc1)NC(=O)C 1P00BXS9 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.4 N#Cc1ccc(cc1)NC(=O)N 1P004M6C [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.4 N#Cc1ccc(cn1)CC(=O)O 1P01BVI6 [0,2,0,0,0,0|1,0,0]=3 3464 B12R1.4 N#Cc1ccc(nc1)CC(=O)[O-] 1P01B9FJ [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.4 N#Cc1ccc(nc1)CC(=O)[O-] 1P02816I [0,2,0,0,0,0|1,0,1]=4 3466 B12R1.4 NCc1ccc(cc1)CC(=O)N 1P01BHMO [0,2,0,0,0,0|1,0,0]=3 3467 B12R1.4 NCc1ccc(cc1)CC(=O)O 1P000QHT [0,2,0,0,0,0|0,0,0]=2 3468 B12R1.4 NCc1ccc(cc1)CC(=O)O 1P00CJ7P [0,2,0,0,0,0|0,0,0]=2 3469 B12R1.4 NCc1ccc(cc1)CS(=O)C 1P01BB9N [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.4 NCc1ccc(cc1)NC(=O)C 1P00BDK5 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.4 NCc1ccc(cc1)NC(=O)C 1P00BIRD [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.4 NCc1ccc(cc1)NC(=O)N 1P019KY1 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.4 NCc1ccc(cc1)OC(=O)C 1P00I0IF [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.4 NCc1ccc(cn1)CC(=O)O 1P0281ON [0,2,0,0,0,0|1,0,0]=3 3475 B12R1.4 NNc1ccc(cc1)CC(=O)O 1P01B2DV [0,2,0,0,0,0|0,0,0]=2 3476 B12R1.4 O=Cc1ccc(cc1)CC(=O)O 1P00CL55 [0,2,0,0,0,0|0,0,0]=2 3477 B12R1.4 O=Cc1ccc(cc1)CC(O)C 1P0287W5 [0,2,0,0,0,0|1,0,1]=4 3478 B12R1.4 O=Cc1ccc(cc1)NC(=O)C 1P00170I [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.4 O=Cc1ccc(cc1)OC(=O)C 1P003L33 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.4 OCc1ccc(cc1)CC(=O)O 1P005OO3 [0,2,0,0,0,0|0,0,0]=2 3481 B12R1.4 OCc1ccc(cc1)NC(=O)C 1P001UU5 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.4 OCc1ccc(cc1)OC(=O)C 1P00EL2N [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.4 SCc1ccc(cc1)CC(=O)O 1P01AVG0 [0,2,0,0,0,0|0,0,0]=2 3484 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1P00IBYT [0,2,0,0,0,0|1,0,0]=3 3485 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1P003IX3 [0,2,0,0,0,0|1,0,0]=3 3486 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1P019YU0 [0,2,0,0,0,0|1,0,0]=3 3487 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1P002QOU [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1P00D6SJ [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1P019FGT [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1P0003L7 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)N 1P01A3Y0 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1P006TL7 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1P003IZ6 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1P00CML0 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.19 CC(=O)Nc1ccc(c(c1)C)N 1P00EE8V [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 1P001UU4 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1P00BD1U [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1P003JP6 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1P00BDQ6 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1P003JOM [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)N 1P00AUTG [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 1P00C9OA [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1P003LER [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1P003ANU [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 1P00BKKX [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.19 CC(=O)Nc1ccc(c(c1)N)C 1P00EHTO [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl 1P003JBV [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.19 CC(=O)Nc1ccc(c(c1)N)F 1P0009K3 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.19 CC(=O)Nc1ccc(c(c1)N)F 1P0290B2 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.19 CC(=O)Nc1ccc(c(c1)N)O 1P009RBJ [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 1P003MS8 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 1P00C6Z8 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.19 CC(=O)Oc1ccc(c(c1)N)F 1P00I41H [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.19 CC(Cc1ccc(c(c1)F)Br)O 1P019YTZ [0,2,0,0,0,0|1,0,1]=4 3515 B12R1.19 CS(=O)Cc1ccc(c(c1)N)Cl 1P01AJPU [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.19 ClC(=O)Cc1ccc(c(c1)F)F 1P0015X0 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.19 ClC(=O)Oc1ccc(c(c1)C)F 1P00972T [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.19 ClC(=O)Oc1ccc(c(c1)Cl)Cl 1P01B3VQ [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.19 NC(=O)Cc1ccc(c(c1)Cl)Cl 1P019W9F [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.19 NC(=O)Cc1ccc(c(c1)O)O 1P0078YT [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.19 NC(=O)Nc1ccc(c(c1)C)Br 1P01A8PG [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.19 NC(=O)Nc1ccc(c(c1)C)C 1P000AQS [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)Cl 1P002N78 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)F 1P019WWR [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.19 NC(=O)Nc1ccc(c(c1)F)C 1P019NUZ [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.19 NC(=O)Nc1ccc(c(c1)F)Cl 1P01BDA2 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.19 NC(=O)Nc1ccc(c(c1)N)Cl 1P019X85 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)Br 1P01B7FQ [0,2,0,0,0,0|0,0,0]=2 3529 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)C 1P00VUV8 [0,2,0,0,0,0|0,0,0]=2 3530 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)Cl 1P00GYQZ [0,2,0,0,0,0|0,0,0]=2 3531 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)F 1P003JIG [0,2,0,0,0,0|0,0,0]=2 3532 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)I 1P01C36Z [0,2,0,0,0,0|0,0,0]=2 3533 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)N 1P00FH6S [0,2,0,0,0,0|0,0,0]=2 3534 B12R1.19 OC(=O)Cc1ccc(c(c1)Br)O 1P00792O [0,2,0,0,0,0|0,0,0]=2 3535 B12R1.19 OC(=O)Cc1ccc(c(c1)C)Br 1P003AF8 [0,2,0,0,0,0|0,0,0]=2 3536 B12R1.19 OC(=O)Cc1ccc(c(c1)C)C 1P003IZ9 [0,2,0,0,0,0|0,0,0]=2 3537 B12R1.19 OC(=O)Cc1ccc(c(c1)C)F 1P00015M [0,2,0,0,0,0|0,0,0]=2 3538 B12R1.19 OC(=O)Cc1ccc(c(c1)C)N 1P003FBB [0,2,0,0,0,0|0,0,0]=2 3539 B12R1.19 OC(=O)Cc1ccc(c(c1)C)O 1P002XUD [0,2,0,0,0,0|0,0,0]=2 3540 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)Br 1P000SDE [0,2,0,0,0,0|0,0,0]=2 3541 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)C 1P01C7SF [0,2,0,0,0,0|0,0,0]=2 3542 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)Cl 1P0033Z2 [0,2,0,0,0,0|0,0,0]=2 3543 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)F 1P00344D [0,2,0,0,0,0|0,0,0]=2 3544 B12R1.19 OC(=O)Cc1ccc(c(c1)Cl)O 1P00344F [0,2,0,0,0,0|0,0,0]=2 3545 B12R1.19 OC(=O)Cc1ccc(c(c1)F)Br 1P003LEV [0,2,0,0,0,0|0,0,0]=2 3546 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C 1P002SNC [0,2,0,0,0,0|0,0,0]=2 3547 B12R1.19 OC(=O)Cc1ccc(c(c1)F)Cl 1P00GSV5 [0,2,0,0,0,0|0,0,0]=2 3548 B12R1.19 OC(=O)Cc1ccc(c(c1)F)F 1P0033Z7 [0,2,0,0,0,0|0,0,0]=2 3549 B12R1.19 OC(=O)Cc1ccc(c(c1)F)I 1P000SK2 [0,2,0,0,0,0|0,0,0]=2 3550 B12R1.19 OC(=O)Cc1ccc(c(c1)F)N 1P0032TI [0,2,0,0,0,0|0,0,0]=2 3551 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O 1P003JWL [0,2,0,0,0,0|0,0,0]=2 3552 B12R1.19 OC(=O)Cc1ccc(c(c1)I)Cl 1P027WA3 [0,2,0,0,0,0|0,0,0]=2 3553 B12R1.19 OC(=O)Cc1ccc(c(c1)N)C 1P00DNFM [0,2,0,0,0,0|0,0,0]=2 3554 B12R1.19 OC(=O)Cc1ccc(c(c1)N)N 1P00EK8C [0,2,0,0,0,0|0,0,0]=2 3555 B12R1.19 OC(=O)Cc1ccc(c(c1)N)O 1P00BZYS [0,2,0,0,0,0|0,0,0]=2 3556 B12R1.19 OC(=O)Cc1ccc(c(c1)O)Br 1P01B7XA [0,2,0,0,0,0|0,0,0]=2 3557 B12R1.19 OC(=O)Cc1ccc(c(c1)O)C 1P0090I0 [0,2,0,0,0,0|0,0,0]=2 3558 B12R1.19 OC(=O)Cc1ccc(c(c1)O)O 1P0006PK [0,2,0,0,0,0|0,0,0]=2 3559 B12R1.19 OC(=O)Cc1cnc(c(c1)Br)Cl 1P021UWF [0,2,0,0,0,0|1,0,0]=3 3560 B12R1.19 OC(=O)Cc1cnc(c(c1)C)Cl 1P023P96 [0,2,0,0,0,0|1,0,0]=3 3561 B12R1.19 OC(=O)Cc1n[nH]c(=O)c(c1)C 1P002G91 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.19 [O-]C(=O)Cc1ccc(c(n1)C)C 1P027VOP [0,2,0,0,0,0|1,0,1]=4 3563 B12R1.20 BrC(c1ccc(cc1)Cl)C(=O)O 1P003O8K [0,2,0,0,0,0|0,0,0]=2 3564 B12R1.20 BrC(c1ccc(cc1)F)C(=O)N 1P019Q4F [0,2,0,0,0,0|1,0,0]=3 3565 B12R1.20 BrC(c1ccc(cc1)F)C(=O)O 1P002YDD [0,2,0,0,0,0|0,0,0]=2 3566 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.20 CC(=O)C(c1ccc(cc1)C)Br 1P028OSI [0,2,0,0,0,0|1,0,0]=3 3568 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [0,2,0,0,0,0|1,0,0]=3 3569 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O 1P00DC2L [0,2,0,0,0,0|0,0,0]=2 3570 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O 1P003FCJ [0,2,0,0,0,0|0,0,0]=2 3571 B12R1.20 CC(c1ccc(cc1)F)C(=O)O 1P003FD3 [0,2,0,0,0,0|0,0,0]=2 3572 B12R1.20 CC(c1ccc(cc1)I)C(=O)O 1P00CKVO [0,2,0,0,0,0|0,0,0]=2 3573 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [0,2,0,0,0,0|0,0,0]=2 3574 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [0,2,0,0,0,0|0,0,0]=2 3575 B12R1.20 CN(c1ccc(cc1)Br)C(=O)C 1P00DBAL [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.20 CN(c1ccc(cc1)Br)C(=O)Cl 1P028TW1 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.20 CN(c1ccc(cc1)F)C(=O)Cl 1P01B273 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.20 CN(c1ccc(cc1)N)C(=O)C 1P000PGO [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.20 CN(c1ccc(cc1)O)C(=O)C 1P00F000 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.20 CN(c1ccc(cc1)O)C(=O)N 1P01AAUZ [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)C(O)=O 1P01KXOO [0,2,0,0,0,0|0,0,0]=2 3582 B12R1.20 C[C@@H](c1ccc(cc1)F)C(=O)O 1P01EKOW [0,2,0,0,0,0|0,0,0]=2 3583 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [0,2,0,0,0,0|0,0,0]=2 3584 B12R1.20 C[C@H](c1ccc(cc1)Br)C(=O)O 1P01KAL6 [0,2,0,0,0,0|0,0,0]=2 3585 B12R1.20 C[C@H](c1ccc(cc1)C)C(=O)O 1P003FDU [0,2,0,0,0,0|0,0,0]=2 3586 B12R1.20 C[C@H](c1ccc(cc1)F)C(=O)O 1P01EKMV [0,2,0,0,0,0|0,0,0]=2 3587 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [0,2,0,0,0,0|0,0,0]=2 3588 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)C 1P01BV4Z [0,2,0,0,0,0|1,0,1]=4 3589 B12R1.20 Cc1ccc(cc1)N(C(=O)C)C 1P00F3FS [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.20 Cc1ccc(cc1)N(C(=O)C)N 1P0289RT [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.20 ClC(=O)C(c1ccc(cc1)Cl)Cl 1P028RD3 [0,2,0,0,0,0|1,0,0]=3 3592 B12R1.20 ClC(c1ccc(cc1)Br)C(=O)N 1P01ABIW [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.20 ClC(c1ccc(cc1)F)C(=O)C 1P002MZZ [0,2,0,0,0,0|1,0,0]=3 3594 B12R1.20 ClC(c1ccc(cc1)F)C(=O)N 1P01AAHM [0,2,0,0,0,0|1,0,0]=3 3595 B12R1.20 FC(c1ccc(cc1)C)C(=O)O 1P01UOKD [0,2,0,0,0,0|0,0,0]=2 3596 B12R1.20 FC(c1ccc(cc1)Cl)C(=O)O 1P01FPC6 [0,2,0,0,0,0|0,0,0]=2 3597 B12R1.20 FC(c1ccc(cc1)F)C(=O)O 1P01DVWA [0,2,0,0,0,0|0,0,0]=2 3598 B12R1.20 FC(c1ccc(cc1)I)C(=O)O 1P0293FT [0,2,0,0,0,0|0,0,0]=2 3599 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P01A8BO [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P027W1O [0,2,0,0,0,0|1,0,0]=3 3601 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P000ZPI [0,2,0,0,0,0|0,0,0]=2 3602 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P00FHES [0,2,0,0,0,0|0,0,0]=2 3603 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P0010XE [0,2,0,0,0,0|0,0,0]=2 3604 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P027Z1V [0,2,0,0,0,0|0,0,0]=2 3605 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P019KLN [0,2,0,0,0,0|1,0,0]=3 3606 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P01AKZ7 [0,2,0,0,0,0|1,0,0]=3 3607 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)O 1P00IBFY [0,2,0,0,0,0|0,0,0]=2 3608 B12R1.20 NC(c1ccc(cc1)F)C(=O)C 1P01EPFH [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.20 NC(c1ccc(cc1)F)C(=O)N 1P00ACGK [0,2,0,0,0,0|1,0,0]=3 3610 B12R1.20 NC(c1ccc(cc1)F)C(=O)O 1P003LWU [0,2,0,0,0,0|0,0,0]=2 3611 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P004RAU [0,2,0,0,0,0|0,0,0]=2 3612 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P01DE3O [0,2,0,0,0,0|0,0,0]=2 3613 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P008UK2 [0,2,0,0,0,0|0,0,0]=2 3614 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P01KKTJ [0,2,0,0,0,0|0,0,0]=2 3615 B12R1.20 N[C@@H](c1ccc(cc1)Cl)C(=O)O 1P0036F2 [0,2,0,0,0,0|0,0,0]=2 3616 B12R1.20 N[C@@H](c1ccc(cc1)F)C(=O)O 1P002C8A [0,2,0,0,0,0|0,0,0]=2 3617 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P009ZVZ [0,2,0,0,0,0|0,0,0]=2 3618 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P01DUMM [0,2,0,0,0,0|0,0,0]=2 3619 B12R1.20 N[C@H](c1ccc(cc1)C)C(=O)O 1P00FHGP [0,2,0,0,0,0|0,0,0]=2 3620 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P008451 [0,2,0,0,0,0|0,0,0]=2 3621 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P00D9LT [0,2,0,0,0,0|0,0,0]=2 3622 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P001KKC [0,2,0,0,0,0|0,0,0]=2 3623 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P003LW2 [0,2,0,0,0,0|0,0,0]=2 3624 B12R1.20 N[C@H](c1ccc(cc1)F)[C@@H](O)C 1P024HSB [0,2,0,0,0,0|1,0,1]=4 3625 B12R1.20 O=C(c1ccc(cc1)Br)C(=O)N 1P003OHH [0,2,0,0,0,0|1,0,1]=4 3626 B12R1.20 O=C(c1ccc(cc1)Br)C(=O)O 1P00FFT5 [0,2,0,0,0,0|0,0,1]=3 3627 B12R1.20 O=C(c1ccc(cc1)C)C(=O)O 1P005RW4 [0,2,0,0,0,0|0,0,1]=3 3628 B12R1.20 O=C(c1ccc(cc1)Cl)C(=O)C 1P008RO5 [0,2,0,0,0,0|1,0,1]=4 3629 B12R1.20 O=C(c1ccc(cc1)Cl)C(=O)O 1P00FDPH [0,2,0,0,0,0|0,0,1]=3 3630 B12R1.20 O=C(c1ccc(cc1)F)C(=O)Cl 1P00859C [0,2,0,0,0,0|1,0,1]=4 3631 B12R1.20 O=C(c1ccc(cc1)F)C(=O)O 1P00I4WN [0,2,0,0,0,0|0,0,1]=3 3632 B12R1.20 O=C(c1ccc(cc1)I)C(=O)O 1P01JMN8 [0,2,0,0,0,0|0,0,1]=3 3633 B12R1.20 O=C(c1ccc(cc1)N)C(=O)O 1P00ACUO [0,2,0,0,0,0|0,0,1]=3 3634 B12R1.20 OC(=O)C(c1ccc(cc1)O)C 1P003FD8 [0,2,0,0,0,0|0,0,0]=2 3635 B12R1.20 OC(=O)C(c1ccc(cc1)O)N 1P00IIBK [0,2,0,0,0,0|0,0,0]=2 3636 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P000Q5A [0,2,0,0,0,0|0,0,0]=2 3637 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P003Q9T [0,2,0,0,0,0|0,0,0]=2 3638 B12R1.20 OC(=O)C(c1ccc(nc1)Cl)C 1P00H42T [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)C 1P01ENKQ [0,2,0,0,0,0|0,0,0]=2 3640 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)N 1P007O5Y [0,2,0,0,0,0|0,0,0]=2 3641 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)C 1P01EQYU [0,2,0,0,0,0|0,0,0]=2 3642 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N 1P0034J0 [0,2,0,0,0,0|0,0,0]=2 3643 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)O 1P009JAJ [0,2,0,0,0,0|0,0,0]=2 3644 B12R1.20 OC(c1ccc(cc1)Br)C(=O)O 1P003LGT [0,2,0,0,0,0|0,0,0]=2 3645 B12R1.20 OC(c1ccc(cc1)C)C(=O)O 1P00AQ8R [0,2,0,0,0,0|0,0,0]=2 3646 B12R1.20 OC(c1ccc(cc1)Cl)C(=O)O 1P003LO4 [0,2,0,0,0,0|0,0,0]=2 3647 B12R1.20 OC(c1ccc(cc1)F)C(=O)O 1P003LW7 [0,2,0,0,0,0|0,0,0]=2 3648 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P01A1GU [0,2,0,0,0,0|0,0,0]=2 3649 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P02013Q [0,2,0,0,0,0|0,0,0]=2 3650 B12R1.20 OC(c1ccc(cc1)O)C(=O)[O-] 1P00FACZ [0,2,0,0,0,0|0,0,1]=3 3651 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(=O)O 1P00HHRY [0,2,0,0,0,0|0,0,0]=2 3652 B12R1.20 O[C@@H](c1ccc(cc1)C)C(=O)O 1P0282AZ [0,2,0,0,0,0|0,0,0]=2 3653 B12R1.20 O[C@@H](c1ccc(cc1)Cl)C(=O)O 1P005Y97 [0,2,0,0,0,0|0,0,0]=2 3654 B12R1.20 O[C@@H](c1ccc(cc1)F)C(=O)O 1P01XDB0 [0,2,0,0,0,0|0,0,0]=2 3655 B12R1.20 O[C@H](c1ccc(cc1)Br)C(=O)O 1P00BYDC [0,2,0,0,0,0|0,0,0]=2 3656 B12R1.20 O[C@H](c1ccc(cc1)C)C(=O)O 1P003HU9 [0,2,0,0,0,0|0,0,0]=2 3657 B12R1.20 O[C@H](c1ccc(cc1)Cl)C(=O)O 1P0037U2 [0,2,0,0,0,0|0,0,0]=2 3658 B12R1.20 Oc1ccc(cc1)C(=O)C(=O)O 1P001OMC [0,2,0,0,0,0|0,0,1]=3 3659 B12R1.20 [O-]C(=O)C(c1ccc(cn1)C)O 1P0282IH [0,2,0,0,0,0|1,0,1]=4 3660 B12R1.20 [O-]C(=O)C(c1ccc(cn1)N)C 1P01EM6C [0,2,0,0,0,0|1,0,1]=4 3661 B12R1.49 BrCC(=O)Cc1ccc(cc1)Cl 1P0094XY [0,2,0,0,0,0|1,0,0]=3 3662 B12R1.49 BrCC(=O)Nc1ccc(cc1)Br 1P00DGDC [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.49 BrCC(=O)Nc1ccc(cc1)C 1P00DDJO [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1P004M6D [0,2,0,0,0,0|1,0,0]=3 3665 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1P001CD2 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1P00DIZX [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1P00ELP0 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.49 C=CC(=O)Nc1ccc(cc1)N 1P005MVC [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 1P00D25L [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1P00BJYB [0,2,0,0,0,0|1,0,0]=3 3671 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1P003DHA [0,2,0,0,0,0|1,0,0]=3 3672 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1P01B5H3 [0,2,0,0,0,0|1,0,0]=3 3673 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1P00KLWN [0,2,0,0,0,0|1,0,0]=3 3674 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1P00IHD6 [0,2,0,0,0,0|1,0,0]=3 3675 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1P028YMZ [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.49 CCC(=O)Nc1ccc(cc1)N 1P00IB21 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.49 CCC(=O)Nc1ccc(cc1)N 1P019V6U [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.49 CCC(=O)Nc1ccc(cc1)O 1P007B3B [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.49 CCC(=O)Oc1ccc(cc1)Br 1P00C2IF [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [0,2,0,0,0,0|1,0,1]=4 3681 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [0,2,0,0,0,0|1,0,0]=3 3682 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [0,2,0,0,0,0|1,0,0]=3 3683 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [0,2,0,0,0,0|1,0,0]=3 3685 B12R1.49 CNC(=O)Nc1ccc(cc1)N 1P0083DE [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.49 COC(=O)Cc1ccc(cc1)Br 1P0035O5 [0,2,0,0,0,0|0,0,0]=2 3687 B12R1.49 COC(=O)Cc1ccc(cc1)C 1P003SCO [0,2,0,0,0,0|0,0,0]=2 3688 B12R1.49 COC(=O)Cc1ccc(cc1)Cl 1P00I9UH [0,2,0,0,0,0|0,0,0]=2 3689 B12R1.49 COC(=O)Cc1ccc(cc1)F 1P00C7YP [0,2,0,0,0,0|0,0,0]=2 3690 B12R1.49 COC(=O)Cc1ccc(cc1)I 1P00EKZB [0,2,0,0,0,0|0,0,0]=2 3691 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00BZSM [0,2,0,0,0,0|0,0,0]=2 3692 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00G39W [0,2,0,0,0,0|0,0,0]=2 3693 B12R1.49 COC(=O)Cc1ccc(cc1)O 1P001HYQ [0,2,0,0,0,0|0,0,0]=2 3694 B12R1.49 COC(=O)Cc1ccc(cn1)Br 1P00IHB5 [0,2,0,0,0,0|1,0,0]=3 3695 B12R1.49 COC(=O)Cc1ccc(cn1)C 1P002CLY [0,2,0,0,0,0|1,0,0]=3 3696 B12R1.49 COC(=O)Cc1ccc(cn1)N 1P00ACBG [0,2,0,0,0,0|1,0,0]=3 3697 B12R1.49 COC(=O)Cc1ccc(nc1)Br 1P01FLZV [0,2,0,0,0,0|1,0,0]=3 3698 B12R1.49 COC(=O)Cc1ccc(nc1)C 1P00H1IK [0,2,0,0,0,0|1,0,0]=3 3699 B12R1.49 COC(=O)Cc1ccc(nc1)Cl 1P0036JA [0,2,0,0,0,0|1,0,0]=3 3700 B12R1.49 COC(=O)Cc1cnc(cn1)Br 1P000Q10 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.49 COC(=O)Cc1cnc(nc1)Cl 1P01JVD5 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.49 COC(=O)Cc1ncc(cn1)Br 1P00IJ33 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.49 COC(=O)Cc1ncc(cn1)F 1P006ZPW [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.49 COC(=O)Cc1ncc(cn1)O 1P00IJ31 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.49 COC(=O)Nc1ccc(cc1)Br 1P00BXOG [0,2,0,0,0,0|1,0,0]=3 3706 B12R1.49 COC(=O)Nc1ccc(cc1)Cl 1P01H69Z [0,2,0,0,0,0|1,0,0]=3 3707 B12R1.49 COC(=O)Nc1ccc(cc1)N 1P00F4FV [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.49 COC(=O)Nc1ccc(cc1)O 1P019VCY [0,2,0,0,0,0|1,0,0]=3 3709 B12R1.49 COC(=O)Nc1ccc(cn1)Br 1P002JU4 [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.49 ClCC(=O)Cc1ccc(cc1)Br 1P00JTS9 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.49 ClCC(=O)Cc1ccc(cc1)C 1P00JTS0 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.49 ClCC(=O)Cc1ccc(cc1)Cl 1P00JTRT [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.49 ClCC(=O)Cc1ccc(cc1)F 1P0030FU [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.49 ClCC(=O)Nc1ccc(cc1)Br 1P00BE6R [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.49 ClCC(=O)Nc1ccc(cc1)C 1P00AP37 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.49 ClCC(=O)Nc1ccc(cc1)Cl 1P00BZHF [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.49 ClCC(=O)Nc1ccc(cc1)F 1P003SUS [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.49 ClCC(=O)Nc1ccc(cc1)I 1P00BDHQ [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.49 ClCC(=O)Nc1ccc(cc1)O 1P00BC8D [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.49 NCC(=O)Cc1ccc(cc1)Br 1P01B8A1 [0,2,0,0,0,0|1,0,0]=3 3721 B12R1.49 NCC(=O)Cc1ccc(cc1)F 1P01BFX6 [0,2,0,0,0,0|1,0,0]=3 3722 B12R1.49 NCC(=O)Nc1ccc(cc1)Br 1P019W0A [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.49 NCC(=O)Nc1ccc(cc1)Cl 1P019X5Y [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.49 NCC(=O)Nc1ccc(cc1)F 1P00HVKO [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.49 NCC(=O)Nc1ccc(cc1)I 1P01BA3Q [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.49 NCC(=O)Nc1ccc(cc1)N 1P01EKIF [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.49 NCC(=O)Nc1ccc(cc1)O 1P01A82U [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [0,2,0,0,0,0|1,0,1]=4 3729 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [0,2,0,0,0,0|1,0,1]=4 3730 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [0,2,0,0,0,0|1,0,1]=4 3731 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [0,2,0,0,0,0|1,0,1]=4 3732 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [0,2,0,0,0,0|1,0,1]=4 3733 B12R1.49 NNC(=O)Cc1ccc(cc1)Br 1P00EAQB [0,2,0,0,0,0|1,0,0]=3 3734 B12R1.49 NNC(=O)Cc1ccc(cc1)C 1P00EEHZ [0,2,0,0,0,0|1,0,0]=3 3735 B12R1.49 NNC(=O)Cc1ccc(cc1)Cl 1P00E9QF [0,2,0,0,0,0|1,0,0]=3 3736 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P00BYWL [0,2,0,0,0,0|1,0,0]=3 3737 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P01DJR3 [0,2,0,0,0,0|1,0,0]=3 3738 B12R1.49 NNC(=O)Cc1ccc(cc1)N 1P027MP7 [0,2,0,0,0,0|1,0,0]=3 3739 B12R1.49 NNC(=O)Cc1ccc(cc1)O 1P0028UY [0,2,0,0,0,0|1,0,0]=3 3740 B12R1.49 NNC(=O)Nc1ccc(cc1)Br 1P002TRV [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.49 NNC(=O)Nc1ccc(cc1)Cl 1P005XDF [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.49 NNC(=O)Nc1ccc(cc1)F 1P007YC2 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.49 O=CC(Cc1ccc(cc1)C)Cl 1P01BY9A [0,2,0,0,0,0|1,0,1]=4 3744 B12R1.49 O=C\C(=C\c1ccc(cc1)Cl)\C 1P01EBOP [0,2,0,0,0,0|1,0,1]=4 3745 B12R1.49 OCC(=O)Cc1ccc(cc1)F 1P019Z6K [0,2,0,0,0,0|0,0,0]=2 3746 B12R1.49 OCC(=O)Nc1ccc(cc1)C 1P007JK3 [0,2,0,0,0,0|1,0,0]=3 3747 B12R1.49 OCC(=O)Nc1ccc(cc1)Cl 1P01B5LO [0,2,0,0,0,0|1,0,0]=3 3748 B12R1.49 OCC(=O)Nc1ccc(cc1)N 1P01DEDA [0,2,0,0,0,0|1,0,0]=3 3749 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [0,2,0,0,0,0|1,0,1]=4 3750 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [0,2,0,0,0,0|1,0,1]=4 3751 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [0,2,0,0,0,0|1,0,1]=4 3752 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [0,2,0,0,0,0|1,0,1]=4 3753 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [0,2,0,0,0,0|1,0,1]=4 3754 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [0,2,0,0,0,0|1,0,1]=4 3755 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [0,2,0,0,0,0|1,0,1]=4 3756 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [0,2,0,0,0,0|1,0,1]=4 3757 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [0,2,0,0,0,0|1,0,1]=4 3758 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [0,2,0,0,0,0|1,0,1]=4 3759 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [0,2,0,0,0,0|1,0,1]=4 3760 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [0,2,0,0,0,0|1,0,1]=4 3761 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [0,2,0,0,0,0|1,0,1]=4 3762 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [0,2,0,0,0,0|1,0,1]=4 3763 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [0,2,0,0,0,0|1,0,1]=4 3764 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [0,2,0,0,0,0|1,0,1]=4 3765 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [0,2,0,0,0,0|1,0,1]=4 3769 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [0,2,0,0,0,0|1,0,1]=4 3770 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [0,2,0,0,0,0|1,0,1]=4 3771 B12R1.49 ON=C(Cc1ccc(cc1)F)N 1P00CI0U [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.49 ONC(=N)Cc1ccc(cc1)O 1P00F24J [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.49 ONC(=O)Cc1ccc(cc1)Br 1P019XE1 [0,2,0,0,0,0|0,0,0]=2 3774 B12R1.49 ONC(=O)Cc1ccc(cc1)C 1P019X7E [0,2,0,0,0,0|0,0,0]=2 3775 B12R1.49 ONC(=O)Cc1ccc(cc1)Cl 1P019XEP [0,2,0,0,0,0|0,0,0]=2 3776 B12R1.49 ONC(=O)Cc1ccc(cc1)F 1P019XEM [0,2,0,0,0,0|0,0,0]=2 3777 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [0,2,0,0,0,0|0,0,0]=2 3778 B12R1.49 O\N=C(/Cc1ccc(cc1)Br)\N 1P00C80E [0,2,0,0,0,0|1,0,0]=3 3779 B12R1.49 O\N=C(\Cc1ccc(cc1)Cl)/N 1P00FD1K [0,2,0,0,0,0|1,0,0]=3 3780 B12R1.49 O\N=C(\Cc1ccc(cc1)F)/N 1P00J167 [0,2,0,0,0,0|1,0,0]=3 3781 B12R1.49 SCC(=O)Nc1ccc(cc1)F 1P005JCY [0,2,0,0,0,0|1,1,0]=4 3782 B12R1.106 Brc1ccc(cc1)CP(=O)(C)C 1P01WT9V [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.106 Brc1ccc(cc1)CS(=O)(=N)C 1P028EFQ [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)C 1P00C1QB [0,2,0,0,0,0|1,0,1]=4 3785 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)Cl 1P00IA0I [0,2,0,0,0,0|1,0,1]=4 3786 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)F 1P01C9I6 [0,2,0,0,0,0|1,0,1]=4 3787 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)N 1P00ELB6 [0,2,0,0,0,0|1,0,1]=4 3788 B12R1.106 Brc1ccc(cc1)CS(=O)(=O)[O-] 1P00EB84 [0,2,0,0,0,0|1,0,1]=4 3789 B12R1.106 CC(Cc1ccc(cc1)Br)(O)C 1P00EMDU [0,2,0,0,0,0|1,0,1]=4 3790 B12R1.106 CC(Cc1ccc(cc1)Cl)(O)C 1P00DGIW [0,2,0,0,0,0|1,0,1]=4 3791 B12R1.106 CC(Cc1ccc(cc1)F)(O)C 1P002YF8 [0,2,0,0,0,0|1,0,1]=4 3792 B12R1.106 Cc1ccc(cc1)CC(O)(C)C 1P002K40 [0,2,0,0,0,0|1,0,1]=4 3793 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl 1P0034KJ [0,2,0,0,0,0|1,0,1]=4 3794 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)N 1P00ELTW [0,2,0,0,0,0|1,0,1]=4 3795 B12R1.106 Clc1ccc(cc1)CP(=O)(O)O 1P0076EE [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.106 Clc1ccc(cc1)CS(=O)(=O)Cl 1P003CBY [0,2,0,0,0,0|1,0,1]=4 3797 B12R1.106 Clc1ccc(cc1)CS(=O)(=O)N 1P005FXJ [0,2,0,0,0,0|1,0,1]=4 3798 B12R1.106 Fc1ccc(cc1)CP(=O)(O)O 1P008N8U [0,2,0,0,0,0|1,0,0]=3 3799 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)Cl 1P003CCI [0,2,0,0,0,0|1,0,1]=4 3800 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)N 1P019NU4 [0,2,0,0,0,0|1,0,1]=4 3801 B12R1.106 Ic1ccc(cc1)CS(=O)(=O)Cl 1P00C6LB [0,2,0,0,0,0|1,0,1]=4 3802 B12R1.106 Nc1ccc(cc1)CP(=O)(O)O 1P003L7S [0,2,0,0,0,0|1,0,0]=3 3803 B12R1.106 Nc1ccc(cc1)CS(=O)(=O)C 1P00CD5J [0,2,0,0,0,0|1,0,1]=4 3804 B12R1.106 Nc1ccc(cc1)CS(=O)(=O)N 1P00DLXW [0,2,0,0,0,0|1,0,1]=4 3805 B12R1.106 Nc1ccc(cc1)OP(=O)(O)[O-] 1P008TAF [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.106 Oc1ccc(cc1)CS(=O)(=O)N 1P027OE6 [0,2,0,0,0,0|1,0,1]=4 3807 B12R1.106 Oc1ccc(cc1)OP(=O)(O)O 1P028CAE [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1P01AIPZ [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1P003G88 [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1P00GNXK [0,2,0,0,0,0|1,0,0]=3 3811 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1P01AHAO [0,2,0,0,0,0|1,0,0]=3 3812 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1P01DVOG [0,2,0,0,0,0|1,0,0]=3 3813 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1P00BDJ5 [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1P003H57 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1P00EC45 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1P0003LJ [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1P003LDU [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1P002A9V [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1P00BZ68 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.233 CC(=O)Nc1ccc(cc1C)N 1P00EAK3 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1P003LCV [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1P003G7M [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1P003BNN [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1P008077 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N 1P003T46 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1P003LDD [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1P01BGG6 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1P003LJP [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1P003G90 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.233 CC(=O)Nc1ccc(cc1F)O 1P021KAI [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1P00DGPG [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.233 CC(=O)Nc1ccc(cc1N)Br 1P00J7LY [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.233 CC(=O)Nc1ccc(cc1N)C 1P00DD4L [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.233 CC(=O)Nc1ccc(cc1N)Cl 1P00DDLR [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.233 CC(=O)Nc1ccc(cc1O)C 1P009EB6 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.233 CC(=O)Oc1ccc(cc1Br)Cl 1P00IKJR [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.233 CC(=O)Oc1ccc(cc1C)Br 1P01AFPG [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Br 1P01BIUD [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl 1P00EB3F [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.233 ClC(=O)Oc1ccc(cc1C)F 1P01BHX6 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.233 ClC(=O)Oc1ccc(cc1F)Br 1P01ACSO [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.233 ClC(=O)Oc1ccc(cc1F)F 1P01B8ML [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.233 NC(=N)Cc1ccc(cc1F)F 1P01A62O [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.233 NC(=O)Cc1ccc(cc1C)Br 1P01C8KF [0,2,0,0,0,0|1,0,0]=3 3845 B12R1.233 NC(=O)Cc1ccc(cc1Cl)Cl 1P01KL86 [0,2,0,0,0,0|1,0,0]=3 3846 B12R1.233 NC(=O)Cc1ccc(cc1F)F 1P01B9TF [0,2,0,0,0,0|1,0,0]=3 3847 B12R1.233 NC(=O)Nc1ccc(cc1C)C 1P003GBD [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.233 NC(=S)Cc1ccc(cc1Cl)F 1P0031FO [0,2,0,0,0,0|1,1,0]=4 3849 B12R1.233 NC(=S)Cc1ccc(cc1F)F 1P01DU2O [0,2,0,0,0,0|1,1,0]=4 3850 B12R1.233 OC(=O)Cc1c[nH]c(=O)[nH]c1=O 1P002JNE [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.233 OC(=O)Cc1c[nH]c(=S)[nH]c1=O 1P0221YL [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.233 OC(=O)Cc1ccc(cc1Br)Br 1P00IKJT [0,2,0,0,0,0|0,0,0]=2 3853 B12R1.233 OC(=O)Cc1ccc(cc1Br)C 1P01C1S1 [0,2,0,0,0,0|0,0,0]=2 3854 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl 1P00DEPF [0,2,0,0,0,0|0,0,0]=2 3855 B12R1.233 OC(=O)Cc1ccc(cc1Br)F 1P003H50 [0,2,0,0,0,0|0,0,0]=2 3856 B12R1.233 OC(=O)Cc1ccc(cc1Br)O 1P004AF7 [0,2,0,0,0,0|0,0,0]=2 3857 B12R1.233 OC(=O)Cc1ccc(cc1C)Br 1P00IE42 [0,2,0,0,0,0|0,0,0]=2 3858 B12R1.233 OC(=O)Cc1ccc(cc1C)C 1P003GBA [0,2,0,0,0,0|0,0,0]=2 3859 B12R1.233 OC(=O)Cc1ccc(cc1C)Cl 1P01A4I7 [0,2,0,0,0,0|0,0,0]=2 3860 B12R1.233 OC(=O)Cc1ccc(cc1C)F 1P003LU3 [0,2,0,0,0,0|0,0,0]=2 3861 B12R1.233 OC(=O)Cc1ccc(cc1C)N 1P00I7CP [0,2,0,0,0,0|0,0,0]=2 3862 B12R1.233 OC(=O)Cc1ccc(cc1C)O 1P00BKCL [0,2,0,0,0,0|0,0,0]=2 3863 B12R1.233 OC(=O)Cc1ccc(cc1Cl)Br 1P00390E [0,2,0,0,0,0|0,0,0]=2 3864 B12R1.233 OC(=O)Cc1ccc(cc1Cl)C 1P01A0L2 [0,2,0,0,0,0|0,0,0]=2 3865 B12R1.233 OC(=O)Cc1ccc(cc1Cl)Cl 1P002B4A [0,2,0,0,0,0|0,0,0]=2 3866 B12R1.233 OC(=O)Cc1ccc(cc1Cl)F 1P00265T [0,2,0,0,0,0|0,0,0]=2 3867 B12R1.233 OC(=O)Cc1ccc(cc1Cl)N 1P01KLD4 [0,2,0,0,0,0|0,0,0]=2 3868 B12R1.233 OC(=O)Cc1ccc(cc1Cl)O 1P01A0FB [0,2,0,0,0,0|0,0,0]=2 3869 B12R1.233 OC(=O)Cc1ccc(cc1F)Br 1P000FUW [0,2,0,0,0,0|0,0,0]=2 3870 B12R1.233 OC(=O)Cc1ccc(cc1F)C 1P003BOP [0,2,0,0,0,0|0,0,0]=2 3871 B12R1.233 OC(=O)Cc1ccc(cc1F)Cl 1P003LJY [0,2,0,0,0,0|0,0,0]=2 3872 B12R1.233 OC(=O)Cc1ccc(cc1F)F 1P0032PX [0,2,0,0,0,0|0,0,0]=2 3873 B12R1.233 OC(=O)Cc1ccc(cc1F)N 1P00GS6Z [0,2,0,0,0,0|0,0,0]=2 3874 B12R1.233 OC(=O)Cc1ccc(cc1F)O 1P005O4M [0,2,0,0,0,0|0,0,0]=2 3875 B12R1.233 OC(=O)Cc1ccc(cc1I)Br 1P01FQJ6 [0,2,0,0,0,0|0,0,0]=2 3876 B12R1.233 OC(=O)Cc1ccc(cc1I)Cl 1P01JYXV [0,2,0,0,0,0|0,0,0]=2 3877 B12R1.233 OC(=O)Cc1ccc(cc1I)F 1P027Y1Y [0,2,0,0,0,0|0,0,0]=2 3878 B12R1.233 OC(=O)Cc1ccc(cc1N)Br 1P000SES [0,2,0,0,0,0|0,0,0]=2 3879 B12R1.233 OC(=O)Cc1ccc(cc1N)Cl 1P00265U [0,2,0,0,0,0|0,0,0]=2 3880 B12R1.233 OC(=O)Cc1ccc(cc1O)Br 1P000S96 [0,2,0,0,0,0|0,0,0]=2 3881 B12R1.233 OC(=O)Cc1ccc(cc1O)O 1P00EDBR [0,2,0,0,0,0|0,0,0]=2 3882 B12R1.233 OC(=O)Cc1ccc(nc1C)Cl 1P01A25U [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.233 OC(=O)Cc1ccc(nc1Cl)C 1P01BBQW [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.233 OC(=O)Cc1ccc(nc1Cl)Cl 1P01KKF5 [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.233 OC(=O)Cc1ccc(nc1F)Cl 1P021OLF [0,2,0,0,0,0|1,0,0]=3 3886 B12R1.233 OC(=O)Cc1cnc(cc1C)Cl 1P028T6V [0,2,0,0,0,0|1,0,0]=3 3887 B12R1.233 OC(=O)Cc1cnc(cc1Cl)Cl 1P002CHN [0,2,0,0,0,0|1,0,0]=3 3888 B12R1.233 OC(=O)Cc1cnc(nc1O)C 1P01XF0W [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.233 OC(=O)Cc1cnc(nc1O)N 1P00JBDN [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.233 OC(=O)Cc1ncc(cc1F)F 1P01V8PF [0,2,0,0,0,0|1,0,0]=3 3891 B12R1.233 OC(=O)Cn1ccc(=O)[nH]c1=O 1P00C8VN [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.233 OC(=O)Cn1ccc(=O)cc1C 1P028TER [0,2,0,0,0,0|1,0,0]=3 3893 B12R1.233 OC(=O)Cn1ccc(cc1=O)Br 1P01BYC9 [0,2,0,0,0,0|1,0,0]=3 3894 B12R1.233 OC(=O)Cn1ccc(cc1=O)C 1P01BFM4 [0,2,0,0,0,0|1,0,0]=3 3895 B12R1.233 OC(=O)Cn1ncc(cc1=O)C 1P027X4C [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.233 [O-]C(=O)Cc1ncc(cc1Cl)Cl 1P01BS0E [0,2,0,0,0,0|1,0,1]=4 3897 B12R1.1819 OC(=O)CN1C=CS(=O)(=O)C=C1 1P028J7W [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.34 BrCC(=O)C(=O)c1ccccc1 1P028GI7 [0,2,0,0,0,0|1,0,1]=4 3899 B12R1.34 BrCC(=O)N(c1ccccc1)C 1P002Y2Q [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.34 C=CC(=O)N(c1ccccc1)C 1P00F3YG [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.34 CC(c1cnccn1)C(=O)OC 1P019ZOM [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.34 CCC(=O)C(=O)c1ccccc1 1P01EKKA [0,2,0,0,0,0|1,0,1]=4 3903 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,2,0,0,0,0|1,0,0]=3 3904 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,2,0,0,0,0|1,0,0]=3 3905 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,2,0,0,0,0|1,0,0]=3 3906 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.34 COC(=O)C(=C)c1ccccc1 1P00AT0S [0,2,0,0,0,0|0,0,1]=3 3908 B12R1.34 COC(=O)C(=O)c1ccccc1 1P003SG4 [0,2,0,0,0,0|0,0,1]=3 3909 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,2,0,0,0,0|0,0,0]=2 3910 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,2,0,0,0,0|0,0,0]=2 3911 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,2,0,0,0,0|0,0,0]=2 3912 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,2,0,0,0,0|0,0,0]=2 3913 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,2,0,0,0,0|0,0,0]=2 3914 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,2,0,0,0,0|0,0,0]=2 3915 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,2,0,0,0,0|0,0,0]=2 3916 B12R1.34 COC(=O)C(c1ccccn1)C 1P01ALE7 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.34 COC(=O)C(c1ccccn1)N 1P003S2Z [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.34 COC(=O)C(c1ccccn1)N 1P00HUMZ [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.34 COC(=O)C(c1ccccn1)O 1P028U92 [0,2,0,0,0,0|1,0,0]=3 3920 B12R1.34 COC(=O)C(c1cccnc1)C 1P00HYOR [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.34 COC(=O)C(c1cccnc1)Cl 1P01A1WF [0,2,0,0,0,0|1,0,0]=3 3922 B12R1.34 COC(=O)C(c1cccnc1)N 1P01APMY [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.34 COC(=O)C(c1cccnc1)O 1P01ABZ8 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.34 COC(=O)C(c1cccnc1)O 1P01W2TQ [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.34 COC(=O)C(c1ccncc1)C 1P01AKQX [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.34 COC(=O)C(c1ccncc1)N 1P003S31 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.34 COC(=O)C(c1cncnc1)O 1P01DVUV [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,2,0,0,0,0|0,0,0]=2 3929 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,2,0,0,0,0|0,0,0]=2 3930 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,2,0,0,0,0|0,0,0]=2 3931 B12R1.34 COC(=O)[C@@H](c1cccnc1)O 1P028F36 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,2,0,0,0,0|0,0,0]=2 3933 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,2,0,0,0,0|0,0,0]=2 3934 B12R1.34 COC(=O)[C@H](c1cccnc1)O 1P028EE9 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.34 ClCC(=O)N(c1ccccc1)C 1P002SP8 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.34 NCC(=O)N(c1ccccc1)C 1P000TUK [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.34 NCC(=O)N(c1ccccc1)N 1P002XU7 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,2,0,0,0,0|1,0,1]=4 3939 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,2,0,0,0,0|1,0,0]=3 3942 B12R1.34 OC(C(=C)C#N)c1ccccc1 1P01AAXD [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.34 OCC(=O)N(c1ccccc1)C 1P00C14Y [0,2,0,0,0,0|1,0,0]=3 3944 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,2,0,0,0,0|1,0,1]=4 3945 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,2,0,0,0,0|1,0,1]=4 3946 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,2,0,0,0,0|1,0,1]=4 3947 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C 1P003F28 [0,2,0,0,0,0|1,0,1]=4 3948 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C 1P01G5UK [0,2,0,0,0,0|1,0,1]=4 3949 B12R1.124 CC(=O)C(c1ccccc1Br)Br 1P0292SH [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.124 CC(=O)N(c1ccccc1N)C 1P00CCJE [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.124 CC(C(c1ccccc1F)N)O 1P01C4Q9 [0,2,0,0,0,0|1,0,1]=4 3952 B12R1.124 ClC(=O)N(c1ccccc1Cl)C 1P028ARK [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AE8U [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AJXQ [0,2,0,0,0,0|1,0,0]=3 3955 B12R1.124 O=C(O)C(F)C1=CC=CC=C1F 1P01K6C1 [0,2,0,0,0,0|0,0,0]=2 3956 B12R1.124 OC(=O)C(=O)c1ccccc1Br 1P00C2CO [0,2,0,0,0,0|0,0,1]=3 3957 B12R1.124 OC(=O)C(=O)c1ccccc1C 1P01JML1 [0,2,0,0,0,0|0,0,1]=3 3958 B12R1.124 OC(=O)C(=O)c1ccccc1Cl 1P002S7X [0,2,0,0,0,0|0,0,1]=3 3959 B12R1.124 OC(=O)C(=O)c1ccccc1F 1P0052A8 [0,2,0,0,0,0|0,0,1]=3 3960 B12R1.124 OC(=O)C(=O)c1ccccc1O 1P028KJP [0,2,0,0,0,0|0,0,1]=3 3961 B12R1.124 OC(=O)C(c1ccccc1Br)Br 1P01JWMC [0,2,0,0,0,0|0,0,0]=2 3962 B12R1.124 OC(=O)C(c1ccccc1Br)C 1P00AOE4 [0,2,0,0,0,0|0,0,0]=2 3963 B12R1.124 OC(=O)C(c1ccccc1Br)F 1P00GSVC [0,2,0,0,0,0|0,0,0]=2 3964 B12R1.124 OC(=O)C(c1ccccc1Br)N 1P00BD3T [0,2,0,0,0,0|0,0,0]=2 3965 B12R1.124 OC(=O)C(c1ccccc1Br)O 1P005H7Z [0,2,0,0,0,0|0,0,0]=2 3966 B12R1.124 OC(=O)C(c1ccccc1C)C 1P01A6R5 [0,2,0,0,0,0|0,0,0]=2 3967 B12R1.124 OC(=O)C(c1ccccc1C)F 1P01NLK6 [0,2,0,0,0,0|0,0,0]=2 3968 B12R1.124 OC(=O)C(c1ccccc1C)N 1P000ZP4 [0,2,0,0,0,0|0,0,0]=2 3969 B12R1.124 OC(=O)C(c1ccccc1C)N 1P00IFAT [0,2,0,0,0,0|0,0,0]=2 3970 B12R1.124 OC(=O)C(c1ccccc1Cl)Br 1P001GE9 [0,2,0,0,0,0|0,0,0]=2 3971 B12R1.124 OC(=O)C(c1ccccc1Cl)C 1P007PJ7 [0,2,0,0,0,0|0,0,0]=2 3972 B12R1.124 OC(=O)C(c1ccccc1Cl)Cl 1P028AEP [0,2,0,0,0,0|0,0,0]=2 3973 B12R1.124 OC(=O)C(c1ccccc1Cl)F 1P01KXH4 [0,2,0,0,0,0|0,0,0]=2 3974 B12R1.124 OC(=O)C(c1ccccc1Cl)N 1P003B40 [0,2,0,0,0,0|0,0,0]=2 3975 B12R1.124 OC(=O)C(c1ccccc1Cl)O 1P003HJ9 [0,2,0,0,0,0|0,0,0]=2 3976 B12R1.124 OC(=O)C(c1ccccc1F)C 1P00FH6T [0,2,0,0,0,0|0,0,0]=2 3977 B12R1.124 OC(=O)C(c1ccccc1F)Cl 1P028530 [0,2,0,0,0,0|0,0,0]=2 3978 B12R1.124 OC(=O)C(c1ccccc1F)N 1P002NNL [0,2,0,0,0,0|0,0,0]=2 3979 B12R1.124 OC(=O)C(c1ccccc1F)N 1P00ICKY [0,2,0,0,0,0|0,0,0]=2 3980 B12R1.124 OC(=O)C(c1ccccc1F)O 1P003HSM [0,2,0,0,0,0|0,0,0]=2 3981 B12R1.124 OC(=O)C(c1ccccc1I)F 1P0293A8 [0,2,0,0,0,0|0,0,0]=2 3982 B12R1.124 OC(=O)C(c1ccccc1I)N 1P01ELXB [0,2,0,0,0,0|0,0,0]=2 3983 B12R1.124 OC(=O)C(c1ccccc1I)O 1P01DT8K [0,2,0,0,0,0|0,0,0]=2 3984 B12R1.124 OC(=O)C(c1ccccc1O)N 1P002R85 [0,2,0,0,0,0|0,0,0]=2 3985 B12R1.124 OC(=O)C(c1ccncc1C)C 1P028LC0 [0,2,0,0,0,0|1,0,0]=3 3986 B12R1.124 OC(=O)C(c1ncccc1C)O 1P01BGPB [0,2,0,0,0,0|1,0,0]=3 3987 B12R1.124 OC(=O)C(n1ccccc1=O)C 1P01DISN [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.124 OC(=O)[C@@H](c1ccccc1C)N 1P01KL0M [0,2,0,0,0,0|0,0,0]=2 3989 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)N 1P008FMJ [0,2,0,0,0,0|0,0,0]=2 3990 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)O 1P003CJE [0,2,0,0,0,0|0,0,0]=2 3991 B12R1.124 OC(=O)[C@@H](c1ccccc1F)N 1P01KKG9 [0,2,0,0,0,0|0,0,0]=2 3992 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O 1P00BXTS [0,2,0,0,0,0|0,0,0]=2 3993 B12R1.124 OC(=O)[C@@H](c1ccccc1O)N 1P024G33 [0,2,0,0,0,0|0,0,0]=2 3994 B12R1.124 OC(=O)[C@H](c1ccccc1Br)N 1P000WEC [0,2,0,0,0,0|0,0,0]=2 3995 B12R1.124 OC(=O)[C@H](c1ccccc1C)N 1P023PAX [0,2,0,0,0,0|0,0,0]=2 3996 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)N 1P001GND [0,2,0,0,0,0|0,0,0]=2 3997 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)O 1P003CX7 [0,2,0,0,0,0|0,0,0]=2 3998 B12R1.124 OC(=O)[C@H](c1ccccc1F)N 1P0201ZK [0,2,0,0,0,0|0,0,0]=2 3999 B12R1.124 OC(=O)[C@H](c1ccccc1F)O 1P0020LV [0,2,0,0,0,0|0,0,0]=2 4000 B12R1.124 OC(=O)[C@H](c1ccccc1O)N 1P024G2K [0,2,0,0,0,0|0,0,0]=2 4001 B12R1.124 [O-]C(=O)C(=O)c1ccccc1N 1P0024X4 [0,2,0,0,0,0|0,0,2]=4 4002 B12R1.124 [O-]C(=O)C(c1cccnc1C)C 1P0282I4 [0,2,0,0,0,0|1,0,1]=4 4003 B12R1.124 [O-]C(=O)C(c1ncccc1C)N 1P028OMX [0,2,0,0,0,0|1,0,1]=4 4004 B12R1.124 [O-]C(=O)C(c1ncccc1F)C 1P01BGQ5 [0,2,0,0,0,0|1,0,1]=4 4005 B12R1.124 [O-]C(=O)C(c1ncccc1F)C 1P028C40 [0,2,0,0,0,0|1,0,1]=4 4006 B12R1.225 Brc1cccc(c1)C(=O)C(=O)O 1P00FHX6 [0,2,0,0,0,0|0,0,1]=3 4007 B12R1.225 CC(=O)C(c1cccc(c1)Cl)O 1P004PQB [0,2,0,0,0,0|1,0,0]=3 4008 B12R1.225 CC(c1cccc(n1)Br)C(=O)O 1P028QWY [0,2,0,0,0,0|1,0,0]=3 4009 B12R1.225 CC(c1ccnc(n1)Cl)C(=O)O 1P024TVA [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.225 Cc1cccc(c1)C(=O)C(=O)N 1P01CA7I [0,2,0,0,0,0|1,0,1]=4 4011 B12R1.225 Cc1cccc(c1)C(=O)C(=O)O 1P01ADQJ [0,2,0,0,0,0|0,0,1]=3 4012 B12R1.225 Cc1cccc(c1)N(C(=O)Cl)C 1P005GQ6 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.225 Clc1cccc(c1)C(=O)C(=O)O 1P00I5IY [0,2,0,0,0,0|0,0,1]=3 4014 B12R1.225 Fc1cccc(c1)C(=O)C(=O)C 1P01DVEU [0,2,0,0,0,0|1,0,1]=4 4015 B12R1.225 Fc1cccc(c1)C(=O)C(=O)O 1P019GGL [0,2,0,0,0,0|0,0,1]=3 4016 B12R1.225 NC(=O)C(c1cccc(c1)Br)Cl 1P01A3ZO [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.225 NC(=O)C(c1cccc(c1)Br)N 1P01A8CC [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.225 NC(=O)C(c1cccc(c1)F)N 1P01KKY3 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.225 Nc1cccc(c1)N(C(=O)C)C 1P00EJQR [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.225 Nc1cccc(c1)N(C(=O)N)C 1P01BG21 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.225 O=C(O)C(F)C1=CC=CC(F)=C1 1P01K6BZ [0,2,0,0,0,0|0,0,0]=2 4022 B12R1.225 OC(=O)C(c1cccc(c1)Br)C 1P00I9XV [0,2,0,0,0,0|0,0,0]=2 4023 B12R1.225 OC(=O)C(c1cccc(c1)Br)Cl 1P01BCE7 [0,2,0,0,0,0|0,0,0]=2 4024 B12R1.225 OC(=O)C(c1cccc(c1)Br)F 1P0291R9 [0,2,0,0,0,0|0,0,0]=2 4025 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P0052H0 [0,2,0,0,0,0|0,0,0]=2 4026 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P01S76W [0,2,0,0,0,0|0,0,0]=2 4027 B12R1.225 OC(=O)C(c1cccc(c1)Br)O 1P006YDP [0,2,0,0,0,0|0,0,0]=2 4028 B12R1.225 OC(=O)C(c1cccc(c1)C)C 1P00ICWE [0,2,0,0,0,0|0,0,0]=2 4029 B12R1.225 OC(=O)C(c1cccc(c1)C)F 1P01NLFK [0,2,0,0,0,0|0,0,0]=2 4030 B12R1.225 OC(=O)C(c1cccc(c1)C)N 1P00DL85 [0,2,0,0,0,0|0,0,0]=2 4031 B12R1.225 OC(=O)C(c1cccc(c1)C)O 1P00EBRY [0,2,0,0,0,0|0,0,0]=2 4032 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Br 1P01BCWP [0,2,0,0,0,0|0,0,0]=2 4033 B12R1.225 OC(=O)C(c1cccc(c1)Cl)C 1P009BXZ [0,2,0,0,0,0|0,0,0]=2 4034 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Cl 1P01DWEP [0,2,0,0,0,0|0,0,0]=2 4035 B12R1.225 OC(=O)C(c1cccc(c1)Cl)F 1P01UO2U [0,2,0,0,0,0|0,0,0]=2 4036 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P003597 [0,2,0,0,0,0|0,0,0]=2 4037 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P009DWM [0,2,0,0,0,0|0,0,0]=2 4038 B12R1.225 OC(=O)C(c1cccc(c1)Cl)O 1P001TTU [0,2,0,0,0,0|0,0,0]=2 4039 B12R1.225 OC(=O)C(c1cccc(c1)F)C 1P00IBYO [0,2,0,0,0,0|0,0,0]=2 4040 B12R1.225 OC(=O)C(c1cccc(c1)F)N 1P0009ZU [0,2,0,0,0,0|0,0,0]=2 4041 B12R1.225 OC(=O)C(c1cccc(c1)F)O 1P00C8J1 [0,2,0,0,0,0|0,0,0]=2 4042 B12R1.225 OC(=O)C(c1cccc(c1)I)F 1P0293BD [0,2,0,0,0,0|0,0,0]=2 4043 B12R1.225 OC(=O)C(c1cccc(c1)I)N 1P028TV1 [0,2,0,0,0,0|0,0,0]=2 4044 B12R1.225 OC(=O)C(c1cccc(c1)I)O 1P024Y56 [0,2,0,0,0,0|0,0,0]=2 4045 B12R1.225 OC(=O)C(c1cccc(c1)N)C 1P01C65S [0,2,0,0,0,0|0,0,0]=2 4046 B12R1.225 OC(=O)C(c1cccc(c1)N)O 1P01A1GT [0,2,0,0,0,0|0,0,0]=2 4047 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00BZA4 [0,2,0,0,0,0|0,0,0]=2 4048 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00J2ZR [0,2,0,0,0,0|0,0,0]=2 4049 B12R1.225 OC(=O)C(c1cccc(c1)O)O 1P003K16 [0,2,0,0,0,0|0,0,0]=2 4050 B12R1.225 OC(=O)C(c1cncc(c1)F)C 1P01AEGK [0,2,0,0,0,0|1,0,0]=3 4051 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)N 1P01JMVQ [0,2,0,0,0,0|0,0,0]=2 4052 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)O 1P028TTB [0,2,0,0,0,0|0,0,0]=2 4053 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)C 1P00BI8D [0,2,0,0,0,0|0,0,0]=2 4054 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)N 1P002H2J [0,2,0,0,0,0|0,0,0]=2 4055 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)C 1P01DWG0 [0,2,0,0,0,0|0,0,0]=2 4056 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00BD95 [0,2,0,0,0,0|0,0,0]=2 4057 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00CMOE [0,2,0,0,0,0|0,0,0]=2 4058 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)O 1P003CKO [0,2,0,0,0,0|0,0,0]=2 4059 B12R1.225 OC(=O)[C@@H](c1cccc(c1)F)N 1P00BD9B [0,2,0,0,0,0|0,0,0]=2 4060 B12R1.225 OC(=O)[C@@H](c1cccc(c1)O)N 1P00BIAR [0,2,0,0,0,0|0,0,0]=2 4061 B12R1.225 OC(=O)[C@H](c1cccc(c1)Br)O 1P01R02G [0,2,0,0,0,0|0,0,0]=2 4062 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)C 1P00EKI5 [0,2,0,0,0,0|0,0,0]=2 4063 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)N 1P00954Q [0,2,0,0,0,0|0,0,0]=2 4064 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)C 1P01DZBP [0,2,0,0,0,0|0,0,0]=2 4065 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)N 1P000JES [0,2,0,0,0,0|0,0,0]=2 4066 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)O 1P00I6KT [0,2,0,0,0,0|0,0,0]=2 4067 B12R1.225 OC(=O)[C@H](c1cccc(c1)F)N 1P00359A [0,2,0,0,0,0|0,0,0]=2 4068 B12R1.225 OC(=O)[C@H](c1cccc(c1)O)N 1P005W9S [0,2,0,0,0,0|0,0,0]=2 4069 B12R1.225 [O-]C(=O)C(c1cc(C)ccn1)O 1P0281P1 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.225 [O-]C(=O)C(c1cccc(n1)C)O 1P0290GS [0,2,0,0,0,0|1,0,1]=4 4071 B12R1.225 [O-]C(=O)C(c1cncc(c1)Br)F 1P0293JL [0,2,0,0,0,0|1,0,1]=4 4072 B12R1.225 [O-][N+](=O)C(c1cccc(c1)F)C 1P028BFZ [0,2,0,0,0,0|1,0,1]=4 4073 B12R1.253 CC(=O)C(c1ccccc1)(C)C 1P0056UC [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.253 CC(=O)C(c1ccccc1)(F)F 1P00CFP5 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.253 CC(=O)C(c1ccccc1)(N)C 1P028J81 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.253 ClC(=O)C(c1ccccc1)(C)C 1P01A966 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.253 ClC(=O)C(c1ccccc1)(F)F 1P01C3NS [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.253 NC(=N)C(c1ccccc1)(O)C 1P01ADJ8 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.253 NC(=O)C(c1ccccc1)(C)C 1P005CUN [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.253 NC(=O)C(c1ccccc1)(F)F 1P007AJ3 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A0G7 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A8W6 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.253 NC(=O)C(c1ccccn1)(F)F 1P01FODU [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.253 NC(=S)C(c1ccccc1)(C)C 1P01A4KU [0,2,0,0,0,0|1,1,0]=4 4085 B12R1.253 OC(=O)C(c1ccccc1)(C)C 1P003I2S [0,2,0,0,0,0|0,0,0]=2 4086 B12R1.253 OC(=O)C(c1ccccc1)(Cl)F 1P01BE6D [0,2,0,0,0,0|0,0,0]=2 4087 B12R1.253 OC(=O)C(c1ccccc1)(F)C 1P0284YH [0,2,0,0,0,0|0,0,0]=2 4088 B12R1.253 OC(=O)C(c1ccccc1)(F)F 1P00I7LP [0,2,0,0,0,0|0,0,0]=2 4089 B12R1.253 OC(=O)C(c1ccccc1)(N)C 1P00ICQ5 [0,2,0,0,0,0|0,0,0]=2 4090 B12R1.253 OC(=O)C(c1ccccc1)(O)C 1P003F8P [0,2,0,0,0,0|0,0,0]=2 4091 B12R1.253 OC(=O)C(c1ccccn1)(F)F 1P00956M [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.253 OC(=O)C(c1ccccn1)(F)F 1P00J027 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.253 OC(=O)C(c1cccnc1)(C)C 1P01A4DH [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.253 OC(=O)C(c1cccnc1)(C)C 1P01DEY9 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.253 OC(=O)C(c1cccnc1)(F)F 1P01AFI5 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.253 OC(=O)C(c1cccnc1)(N)C 1P028UHH [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.253 OC(=O)C(c1ccncc1)(F)F 1P01AC95 [0,2,0,0,0,0|1,0,0]=3 4098 B12R1.253 OC(=O)C(c1cncnc1)(C)C 1P01BUMU [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.253 OC(=O)C(c1ncccn1)(F)F 1P0292K4 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.253 OC(=O)C(c1nccnc1)(F)F 1P01B27A [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00BLP9 [0,2,0,0,0,0|0,0,0]=2 4102 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00I5JO [0,2,0,0,0,0|0,0,0]=2 4103 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P00HTKU [0,2,0,0,0,0|0,0,0]=2 4104 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P01C1M0 [0,2,0,0,0,0|0,0,0]=2 4105 B12R1.253 [O-]C(=O)C(c1ccccn1)(C)C 1P01B8DW [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.253 [O-]C(=O)C(c1ccccn1)(O)C 1P01BGAR [0,2,0,0,0,0|1,0,1]=4 4107 B12R1.253 [O-]C(=O)C(c1cccnc1)(O)C 1P028VBV [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.253 [O-]C(=O)C(c1ccncc1)(C)C 1P028MKE [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.253 [O-]C(=O)C(c1ccncc1)(O)C 1P028Y4T [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.478 C=CC(c1ccccc1)C(=O)O 1P01AGCA [0,2,0,0,0,0|0,0,0]=2 4111 B12R1.478 CCC(c1ccccc1)C(=O)Cl 1P003IC1 [0,2,0,0,0,0|1,0,0]=3 4112 B12R1.478 CCC(c1ccccc1)C(=O)N 1P0037CE [0,2,0,0,0,0|1,0,0]=3 4113 B12R1.478 CCC(c1ccccc1)C(=O)O 1P003IBY [0,2,0,0,0,0|0,0,0]=2 4114 B12R1.478 CCC(c1cccnc1)C(=O)O 1P0291TN [0,2,0,0,0,0|1,0,0]=3 4115 B12R1.478 CCN(c1ccccc1)C(=O)C 1P00DC3M [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.478 CCN(c1ccccc1)C(=O)Cl 1P00CUKT [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O 1P003CXQ [0,2,0,0,0,0|0,0,0]=2 4118 B12R1.478 CC[C@H](c1ccccc1)C(=O)O 1P003CJN [0,2,0,0,0,0|0,0,0]=2 4119 B12R1.478 CNC(c1ccccc1)C(=O)O 1P002W4Z [0,2,0,0,0,0|0,0,0]=2 4120 B12R1.478 CNC(c1ccccc1)C(=O)O 1P005WE4 [0,2,0,0,0,0|0,0,0]=2 4121 B12R1.478 CNC(c1cccnc1)C(=O)O 1P009V6M [0,2,0,0,0,0|1,0,0]=3 4122 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P002S6K [0,2,0,0,0,0|0,0,0]=2 4123 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P0251NM [0,2,0,0,0,0|0,0,0]=2 4124 B12R1.478 CN[C@H](c1ccccc1)C(=O)O 1P00325K [0,2,0,0,0,0|0,0,0]=2 4125 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [0,2,0,0,0,0|1,0,0]=3 4126 B12R1.478 COC(c1ccccc1)C(=O)O 1P001ARG [0,2,0,0,0,0|0,0,0]=2 4127 B12R1.478 COC(c1ccccc1)C(=O)O 1P00ICHO [0,2,0,0,0,0|0,0,0]=2 4128 B12R1.478 COC(c1ccccc1)C(=O)[O-] 1P00ENH0 [0,2,0,0,0,0|0,0,1]=3 4129 B12R1.478 COC(c1cccnc1)C(=O)O 1P028OUS [0,2,0,0,0,0|1,0,0]=3 4130 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O 1P003CYC [0,2,0,0,0,0|0,0,0]=2 4131 B12R1.478 CO[C@H](c1ccccc1)C(=O)O 1P003CJZ [0,2,0,0,0,0|0,0,0]=2 4132 B12R1.478 CSC(c1ccccc1)C(=O)O 1P01AKM2 [0,2,0,0,0,0|0,0,0]=2 4133 B12R1.478 ClC=C(c1ccccc1)C(=O)N 1P01C1X5 [0,2,0,0,0,0|1,0,1]=4 4134 B12R1.478 N#CC(c1ccccc1)C(=O)N 1P005PSU [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.478 N#CC(c1ccccc1)C(=O)O 1P001COC [0,2,0,0,0,0|0,0,0]=2 4136 B12R1.478 N#CC(c1ccccn1)C(=O)C 1P00EM1C [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.478 N#CC(c1cccnc1)C(=O)C 1P01BUCY [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.478 N#CC(c1ccncc1)C(=O)C 1P01DZ3H [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.478 NCC(c1ccccc1)C(=O)O 1P00D8WB [0,2,0,0,0,0|0,0,0]=2 4140 B12R1.478 NCC(c1ccccc1)C(=O)O 1P01BGCY [0,2,0,0,0,0|0,0,0]=2 4141 B12R1.478 NC[C@@H](c1ccccc1)C(=O)O 1P018QKP [0,2,0,0,0,0|0,0,0]=2 4142 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P001AZ3 [0,2,0,0,0,0|0,0,0]=2 4143 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P0092K6 [0,2,0,0,0,0|0,0,0]=2 4144 B12R1.478 O=C=C(c1ccccc1)C(=O)Cl 1P00ANII [0,2,0,0,0,0|1,0,1]=4 4145 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.478 OC[C@@H](c1ccccc1)C(=O)O 1P00B6AQ [0,2,0,0,0,0|0,0,0]=2 4147 B12R1.478 OC[C@H](c1ccccc1)C(=O)O 1P00B5QX [0,2,0,0,0,0|0,0,0]=2 4148 B12R1.478 ON=C(c1ccccc1)C(=O)C 1P01B7DU [0,2,0,0,0,0|1,0,1]=4 4149 B12R1.564 CC(C(O)(C)C)c1ccccc1 1P00CZW7 [0,2,0,0,0,0|1,0,1]=4 4150 B12R1.564 CC(S(=O)(=O)F)c1ccccc1 1P01AJCH [0,2,0,0,0,0|1,0,1]=4 4151 B12R1.564 CC(S(=O)(=O)N)c1ccccc1 1P01AK23 [0,2,0,0,0,0|1,0,1]=4 4152 B12R1.564 C[C@@H](S(=O)(=O)N)c1ccccc1 1P0289IF [0,2,0,0,0,0|1,0,1]=4 4153 B12R1.564 C[C@H](S(=O)(=O)N)c1ccccc1 1P0289EE [0,2,0,0,0,0|1,0,1]=4 4154 B12R1.564 NC(C(O)(C)C)c1ccccc1 1P028IVZ [0,2,0,0,0,0|1,0,1]=4 4155 B12R1.564 NC(P(=O)(C)C)c1ccccc1 1P028YV2 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.564 NC(P(=O)(O)O)c1ccccc1 1P00234C [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.564 N[C@@H](C(O)(C)C)c1ccccc1 1P01SH24 [0,2,0,0,0,0|1,0,1]=4 4158 B12R1.564 N[C@@H](P(=O)(C)C)c1ccccc1 1P027ZN3 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.564 N[C@@H](P(=O)(O)O)c1ccccc1 1P028KN6 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.564 N[C@H](C(O)(C)C)c1ccccc1 1P001YGJ [0,2,0,0,0,0|1,0,1]=4 4161 B12R1.564 N[C@H](P(=O)(C)C)c1ccccc1 1P028L23 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.564 N[C@H](P(=O)(O)O)c1ccccc1 1P028LJ1 [0,2,0,0,0,0|1,0,0]=3 4163 B12R1.32 BrCCC(=O)Nc1ccccc1 1P00GNN1 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [0,2,0,0,0,0|1,0,1]=4 4165 B12R1.32 CC#CC(=O)Nc1ccccc1 1P0281RW [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,2,0,0,0,0|1,0,1]=4 4167 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,2,0,0,0,0|1,0,0]=3 4168 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.32 CCOC(=O)C[n+]1ccccc1 1P007CSA [0,2,0,0,0,0|1,0,0]=3 4171 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,2,0,0,0,0|0,0,0]=2 4172 B12R1.32 CCOC(=O)Cc1ccccn1 1P0035BC [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.32 CCOC(=O)Cc1cccnc1 1P00BY7B [0,2,0,0,0,0|1,0,0]=3 4174 B12R1.32 CCOC(=O)Cc1cccnn1 1P000RZW [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.32 CCOC(=O)Cc1ccncc1 1P003QSB [0,2,0,0,0,0|1,0,0]=3 4176 B12R1.32 CCOC(=O)Cc1ccncn1 1P000LYT [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.32 CCOC(=O)Cc1cnccn1 1P008ZJ1 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.32 CCOC(=O)Cc1ncccn1 1P003QI7 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.32 CCOC(=O)N=c1cc[nH]cc1 1P00DJ1M [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.32 CCOC(=O)Nc1ccccc1 1P0003XB [0,2,0,0,0,0|1,0,0]=3 4181 B12R1.32 CCOC(=O)Nc1ccccn1 1P00DKBX [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.32 CCOC(=O)Nc1cccnc1 1P019MHU [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [0,2,0,0,0,0|1,0,1]=4 4185 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,2,0,0,0,0|0,0,0]=2 4186 B12R1.32 COCC(=O)Nc1ccccc1 1P028IUS [0,2,0,0,0,0|1,0,0]=3 4187 B12R1.32 COCC(=O)Oc1ccccc1 1P001YI1 [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [0,2,0,0,0,0|1,0,1]=4 4189 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [0,2,0,0,0,0|1,0,1]=4 4190 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [0,2,0,0,0,0|1,0,1]=4 4191 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [0,2,0,0,0,0|1,0,1]=4 4192 B12R1.32 C\C=C\C(=O)Nc1ccccc1 1P00255Y [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.32 ClCCC(=O)Nc1ccccc1 1P00C08U [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.32 ClCCC(=O)Oc1ccccc1 1P002OZQ [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.32 N#CCC(=O)Cc1ccccc1 1P002G4U [0,2,0,0,0,0|1,0,0]=3 4196 B12R1.32 N#CCC(=O)Nc1ccccc1 1P00EA3X [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.32 NCCC(=O)Nc1ccccc1 1P000G66 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.32 NCCC(=O)Nc1ccccc1 1P00EENY [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.32 NOCC(=O)Nc1ccccc1 1P027UQZ [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.32 O=C=NC(=O)Cc1ccccc1 1P01HOZN [0,2,0,0,0,0|0,0,1]=3 4202 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [0,2,0,0,0,0|1,0,1]=4 4203 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [0,2,0,0,0,0|2,0,0]=4 4204 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [0,2,0,0,0,0|0,0,0]=2 4205 B12R1.32 ON=CC(=O)Nc1ccccc1 1P0025FA [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.50 BrCC(=O)Nc1cccc(c1)C 1P00DAC0 [0,2,0,0,0,0|2,0,0]=4 4207 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1P01AK1D [0,2,0,0,0,0|2,0,0]=4 4208 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1P00J89L [0,2,0,0,0,0|2,0,0]=4 4209 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1P00FHSS [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1P00DLN4 [0,2,0,0,0,0|2,0,0]=4 4211 B12R1.50 C=CC(=O)Nc1cccc(c1)N 1P001TGR [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1P009CL3 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.50 CCC(=O)Cc1cccc(c1)C 1P01JMHJ [0,2,0,0,0,0|1,0,0]=3 4214 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1P01DUPB [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.50 CCC(=O)Cc1cccc(c1)F 1P01EX3C [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.50 CCC(=O)Nc1cccc(c1)N 1P002M8X [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.50 CCC(=O)Nc1cccc(c1)O 1P0071D4 [0,2,0,0,0,0|2,0,0]=4 4218 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.50 CNC(=O)Nc1cccc(c1)N 1P019L96 [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.50 CNC(=O)Oc1cccc(c1)N 1P01AM02 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.50 CNC(=O)Oc1cccc(c1)O 1P002FZI [0,2,0,0,0,0|2,0,0]=4 4223 B12R1.50 COC(=O)Cc1cc(Br)ccn1 1P009Z8E [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.50 COC(=O)Cc1cc(Cl)ccn1 1P0092R4 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.50 COC(=O)Cc1cc(Cl)ncn1 1P003S1L [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.50 COC(=O)Cc1cccc(c1)Br 1P001N5E [0,2,0,0,0,0|0,0,0]=2 4227 B12R1.50 COC(=O)Cc1cccc(c1)C 1P00DDQC [0,2,0,0,0,0|0,0,0]=2 4228 B12R1.50 COC(=O)Cc1cccc(c1)Cl 1P003S8I [0,2,0,0,0,0|0,0,0]=2 4229 B12R1.50 COC(=O)Cc1cccc(c1)F 1P003BEE [0,2,0,0,0,0|0,0,0]=2 4230 B12R1.50 COC(=O)Cc1cccc(c1)I 1P00I9GC [0,2,0,0,0,0|0,0,0]=2 4231 B12R1.50 COC(=O)Cc1cccc(c1)N 1P001MZJ [0,2,0,0,0,0|0,0,0]=2 4232 B12R1.50 COC(=O)Cc1cccc(c1)N 1P00394T [0,2,0,0,0,0|0,0,0]=2 4233 B12R1.50 COC(=O)Cc1cccc(c1)O 1P003S1J [0,2,0,0,0,0|0,0,0]=2 4234 B12R1.50 COC(=O)Cc1cccc(n1)Br 1P00IGQI [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.50 COC(=O)Cc1cccc(n1)C 1P00ELCK [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.50 COC(=O)Cc1cccc(n1)Cl 1P001WDA [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.50 COC(=O)Cc1cccc(n1)F 1P01DF8U [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.50 COC(=O)Cc1cccc(n1)N 1P01BDMZ [0,2,0,0,0,0|1,0,0]=3 4239 B12R1.50 COC(=O)Cc1ccnc(c1)Br 1P000L06 [0,2,0,0,0,0|1,0,0]=3 4240 B12R1.50 COC(=O)Cc1ccnc(c1)Cl 1P00H0I7 [0,2,0,0,0,0|1,0,0]=3 4241 B12R1.50 COC(=O)Cc1ccnc(n1)Cl 1P01BG27 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.50 COC(=O)Cc1cncc(c1)Br 1P007QHK [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.50 COC(=O)Cc1cncc(c1)C 1P000OUP [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.50 COC(=O)Cc1cncc(c1)Cl 1P00O0RH [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.50 COC(=O)Cc1cncc(c1)O 1P027Z83 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.50 COC(=O)Cc1cnnc(c1)Cl 1P0201YE [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.50 COC(=O)Cc1nccc(c1)C 1P00IB07 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.50 COC(=O)Nc1cccc(c1)Br 1P00BJ6Q [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.50 COC(=O)Nc1cccc(c1)Cl 1P0249DA [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.50 COC(=O)Nc1cccc(c1)N 1P00F4FU [0,2,0,0,0,0|1,0,0]=3 4251 B12R1.50 COC(=O)Nc1cccc(c1)O 1P0012WG [0,2,0,0,0,0|1,0,0]=3 4252 B12R1.50 ClCC(=O)Cc1cccc(c1)C 1P00JTRZ [0,2,0,0,0,0|1,0,0]=3 4253 B12R1.50 ClCC(=O)Cc1cccc(c1)Cl 1P00JTRW [0,2,0,0,0,0|1,0,0]=3 4254 B12R1.50 ClCC(=O)Cc1cccc(c1)F 1P00JTSE [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.50 ClCC(=O)Nc1cccc(c1)Br 1P00BDN5 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.50 ClCC(=O)Nc1cccc(c1)C 1P00BZOW [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.50 ClCC(=O)Nc1cccc(c1)Cl 1P00BDHT [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.50 ClCC(=O)Nc1cccc(c1)F 1P00C0YW [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.50 ClCC(=O)Nc1cccc(c1)I 1P00BO66 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.50 NCC(=O)Cc1cccc(c1)Br 1P01B8AI [0,2,0,0,0,0|1,0,0]=3 4261 B12R1.50 NCC(=O)Nc1cccc(c1)Br 1P01A5IJ [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.50 NCC(=O)Nc1cccc(c1)Cl 1P018Z4J [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.50 NCC(=O)Nc1cccc(c1)F 1P01A8MK [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.50 NCC(Cc1cccc(c1)Br)O 1P0285C3 [0,2,0,0,0,0|1,0,1]=4 4265 B12R1.50 NCC(Cc1cccc(c1)C)O 1P01BK54 [0,2,0,0,0,0|1,0,1]=4 4266 B12R1.50 NCC(Cc1cccc(c1)Cl)O 1P01BAEN [0,2,0,0,0,0|1,0,1]=4 4267 B12R1.50 NCC(Cc1cccc(c1)F)O 1P01AMEE [0,2,0,0,0,0|1,0,1]=4 4268 B12R1.50 NCC(Cc1cccc(c1)O)O 1P028VA8 [0,2,0,0,0,0|1,0,1]=4 4269 B12R1.50 NNC(=N)Cc1cccc(c1)Br 1P01A6W3 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.50 NNC(=O)Cc1cccc(c1)Cl 1P00FAOR [0,2,0,0,0,0|1,0,0]=3 4271 B12R1.50 NNC(=O)Cc1cccc(c1)F 1P00IVB3 [0,2,0,0,0,0|1,0,0]=3 4272 B12R1.50 NNC(=O)Cc1cccc(c1)O 1P01JTZ0 [0,2,0,0,0,0|1,0,0]=3 4273 B12R1.50 NNC(=O)Nc1cccc(c1)Cl 1P01ABM8 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.50 NNC(=O)Nc1cccc(c1)F 1P000FGY [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.50 OCC(=O)Nc1cccc(c1)C 1P00VSOV [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.50 OCC(=O)Nc1cccc(c1)N 1P01AAQX [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.50 OCC(Cc1cccc(c1)Br)N 1P01JKRR [0,2,0,0,0,0|1,0,1]=4 4278 B12R1.50 OCC(Cc1cccc(c1)C)N 1P00CNDL [0,2,0,0,0,0|1,0,1]=4 4279 B12R1.50 OCC(Cc1cccc(c1)C)N 1P01B1TC [0,2,0,0,0,0|1,0,1]=4 4280 B12R1.50 OCC(Cc1cccc(c1)Cl)N 1P00CM2L [0,2,0,0,0,0|1,0,1]=4 4281 B12R1.50 OCC(Cc1cccc(c1)F)N 1P00CMWB [0,2,0,0,0,0|1,0,1]=4 4282 B12R1.50 OCC(Cc1cccc(c1)N)F 1P0283J3 [0,2,0,0,0,0|1,0,1]=4 4283 B12R1.50 OC[C@@H](Cc1cccc(c1)F)N 1P00GAOU [0,2,0,0,0,0|1,0,1]=4 4284 B12R1.50 OC[C@H](Cc1cccc(c1)F)N 1P01JKYV [0,2,0,0,0,0|1,0,1]=4 4285 B12R1.50 ONC(=N)Cc1cccc(c1)Cl 1P019F80 [0,2,0,0,0,0|1,0,0]=3 4286 B12R1.50 ONC(=N)Cc1cccc(c1)F 1P00IEWL [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.50 ONC(=O)Cc1cccc(c1)F 1P019XAV [0,2,0,0,0,0|0,0,0]=2 4288 B12R1.50 O\N=C(\Cc1cccc(c1)Br)/N 1P0098VC [0,2,0,0,0,0|1,0,0]=3 4289 B12R1.50 O\N=C(\Cc1cccc(c1)Cl)/N 1P00AUYY [0,2,0,0,0,0|1,0,0]=3 4290 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [0,2,0,0,0,0|1,0,1]=4 4291 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [0,2,0,0,0,0|1,0,1]=4 4292 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,2,0,0,0,0|0,0,1]=3 4293 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [0,2,0,0,0,0|0,0,2]=4 4294 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [0,2,0,0,0,0|1,0,1]=4 4295 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [0,2,0,0,0,0|1,0,1]=4 4296 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [0,2,0,0,0,0|1,0,1]=4 4297 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [0,2,0,0,0,0|1,0,1]=4 4298 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [0,2,0,0,0,0|1,0,1]=4 4299 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [0,2,0,0,0,0|0,0,2]=4 4300 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [0,2,0,0,0,0|1,0,1]=4 4301 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [0,2,0,0,0,0|0,0,2]=4 4302 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [0,2,0,0,0,0|1,0,1]=4 4303 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [0,2,0,0,0,0|1,0,1]=4 4304 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [0,2,0,0,0,0|1,0,1]=4 4305 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [0,2,0,0,0,0|1,0,1]=4 4306 B12R1.194 NNS(=O)(=O)Cc1ccccc1 1P007ALD [0,2,0,0,0,0|1,0,1]=4 4307 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,2,0,0,0,0|1,0,1]=4 4308 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [0,2,0,0,0,0|1,0,1]=4 4309 B12R1.371 BrCC(=O)Nc1ccccc1F 1P005EZT [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.371 C=CC(=O)Cc1ccccc1F 1P01A48W [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.371 C=CC(=O)Nc1ccccc1C 1P019SOX [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.371 C=CC(=O)Nc1ccccc1F 1P00E8FK [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.371 CCC(=O)Cc1ccccc1Br 1P019RG4 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.371 CCC(=O)Cc1ccccc1F 1P01EUOT [0,2,0,0,0,0|1,0,0]=3 4316 B12R1.371 CCC(=O)Nc1ccccc1Br 1P00EEMQ [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.371 CCC(=O)Nc1ccccc1N 1P009RRN [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.371 CCC(=O)Nc1ccccc1O 1P006A0L [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.371 CCC(=O)Oc1ccccc1O 1P02924J [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [0,2,0,0,0,0|1,0,0]=3 4321 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [0,2,0,0,0,0|1,0,0]=3 4322 B12R1.371 COC(=O)Cc1ccccc1Br 1P00EBRK [0,2,0,0,0,0|0,0,0]=2 4323 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,2,0,0,0,0|0,0,0]=2 4324 B12R1.371 COC(=O)Cc1ccccc1Cl 1P003S4A [0,2,0,0,0,0|0,0,0]=2 4325 B12R1.371 COC(=O)Cc1ccccc1F 1P00393Q [0,2,0,0,0,0|0,0,0]=2 4326 B12R1.371 COC(=O)Cc1ccccc1I 1P00IC25 [0,2,0,0,0,0|0,0,0]=2 4327 B12R1.371 COC(=O)Cc1ccccc1N 1P00C63Y [0,2,0,0,0,0|0,0,0]=2 4328 B12R1.371 COC(=O)Cc1ccccc1N 1P00DG0W [0,2,0,0,0,0|0,0,0]=2 4329 B12R1.371 COC(=O)Cc1ccccc1O 1P0037ZQ [0,2,0,0,0,0|0,0,0]=2 4330 B12R1.371 COC(=O)Cc1cccnc1Cl 1P01XGGS [0,2,0,0,0,0|1,0,0]=3 4331 B12R1.371 COC(=O)Cc1ccncc1Br 1P00AKXN [0,2,0,0,0,0|1,0,0]=3 4332 B12R1.371 COC(=O)Cc1cncnc1Cl 1P01WTPD [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.371 COC(=O)Cc1cncnc1N 1P0293BG [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.371 COC(=O)Cc1cncnc1O 1P01KWJZ [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.371 COC(=O)Cc1ncccc1Br 1P002GMY [0,2,0,0,0,0|1,0,0]=3 4336 B12R1.371 COC(=O)Cc1ncccc1C 1P00HBUV [0,2,0,0,0,0|1,0,0]=3 4337 B12R1.371 COC(=O)Nc1ccccc1Br 1P00N987 [0,2,0,0,0,0|1,0,0]=3 4338 B12R1.371 COC(=O)Nc1ccccc1O 1P019V5N [0,2,0,0,0,0|1,0,0]=3 4339 B12R1.371 Cc1ccncc1NC(=O)OC 1P005ZM5 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.371 Cc1ccncc1NC(=O)OC 1P01BGQ9 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.371 ClCC(=O)Cc1ccccc1Br 1P00JTSB [0,2,0,0,0,0|1,0,0]=3 4342 B12R1.371 ClCC(=O)Cc1ccccc1C 1P00JTS6 [0,2,0,0,0,0|1,0,0]=3 4343 B12R1.371 ClCC(=O)Cc1ccccc1Cl 1P000YKD [0,2,0,0,0,0|1,0,0]=3 4344 B12R1.371 ClCC(=O)Cc1ccccc1F 1P00JTRX [0,2,0,0,0,0|1,0,0]=3 4345 B12R1.371 ClCC(=O)Nc1ccccc1Br 1P00EJAI [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.371 ClCC(=O)Nc1ccccc1C 1P00BZLF [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.371 ClCC(=O)Nc1ccccc1Cl 1P007J23 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.371 ClCC(=O)Nc1ccccc1F 1P007CAO [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.371 ClCC(=O)Nc1ccccc1I 1P00FM48 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.371 ClCC(=O)Nc1ccccc1O 1P00050Z [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.371 NCC(=O)Nc1ccccc1Br 1P00HAUJ [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.371 NCC(=O)Nc1ccccc1C 1P00J46J [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.371 NCC(=O)Nc1ccccc1F 1P0289BO [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.371 NCC(Cc1ccccc1Br)O 1P027N7B [0,2,0,0,0,0|1,0,1]=4 4355 B12R1.371 NCC(Cc1ccccc1C)O 1P01AM13 [0,2,0,0,0,0|1,0,1]=4 4356 B12R1.371 NNC(=O)Cc1ccccc1C 1P00JDOV [0,2,0,0,0,0|1,0,0]=3 4357 B12R1.371 NNC(=O)Cc1ccccc1Cl 1P00BCNA [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.371 NNC(=O)Cc1ccccc1F 1P0097A6 [0,2,0,0,0,0|1,0,0]=3 4359 B12R1.371 NNC(=O)Cc1ccccc1O 1P01B60T [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.371 NNC(=O)Cn1ccccc1=O 1P019P4N [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.371 NNC(=O)Nc1ccccc1C 1P019NCX [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.371 NNC(=O)Nc1ccccc1Cl 1P00C9G6 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.371 O=CC(Cc1ccccc1Cl)Cl 1P01BY6U [0,2,0,0,0,0|1,0,1]=4 4364 B12R1.371 O=C\C(=C\c1ccccc1F)\C 1P00141I [0,2,0,0,0,0|1,0,1]=4 4365 B12R1.371 O=NN(Cc1ccccc1C)C 1P00F62Y [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.371 OCC(Cc1ccccc1Br)N 1P01JKRL [0,2,0,0,0,0|1,0,1]=4 4367 B12R1.371 OCC(Cc1ccccc1C)N 1P00CNDK [0,2,0,0,0,0|1,0,1]=4 4368 B12R1.371 OCC(Cc1ccccc1Cl)N 1P00CM2K [0,2,0,0,0,0|1,0,1]=4 4369 B12R1.371 OCC(Cc1ccccc1Cl)N 1P028B27 [0,2,0,0,0,0|1,0,1]=4 4370 B12R1.371 OCC(Cc1ccccc1F)N 1P002022 [0,2,0,0,0,0|1,0,1]=4 4371 B12R1.371 OC[C@H](Cc1ccccc1C)N 1P01JM47 [0,2,0,0,0,0|1,0,1]=4 4372 B12R1.371 OC[C@H](Cc1ccccc1Cl)N 1P0096P7 [0,2,0,0,0,0|1,0,1]=4 4373 B12R1.371 OC[C@H](Cc1ccccc1F)N 1P00ASQ3 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.371 ON=C(Cc1ccccc1Cl)N 1P019VPD [0,2,0,0,0,0|1,0,0]=3 4375 B12R1.371 ON=C(Cc1ccccc1F)N 1P01BUD3 [0,2,0,0,0,0|1,0,0]=3 4376 B12R1.371 ONC(=N)Cc1ccccc1Br 1P00IGDR [0,2,0,0,0,0|1,0,0]=3 4377 B12R1.371 ONC(=N)Cc1ccccc1C 1P00D7H0 [0,2,0,0,0,0|1,0,0]=3 4378 B12R1.371 ONC(=N)Cn1ccccc1=O 1P00H3OH [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.371 ONC(=O)Cc1ccccc1C 1P019XJJ [0,2,0,0,0,0|0,0,0]=2 4380 B12R1.371 ONC(=O)Cc1ccccc1Cl 1P019XEQ [0,2,0,0,0,0|0,0,0]=2 4381 B12R1.371 SCC(=O)Nc1ccccc1F 1P00I4OM [0,2,0,0,0,0|1,1,0]=4 4382 B12R1.75 BrCc1ccccc1CC(=O)C 1P01C8VJ [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.75 BrCc1ccccc1CC(=O)O 1P0013NJ [0,2,0,0,0,0|0,0,0]=2 4384 B12R1.75 BrCc1ccccc1OC(=O)C 1P00FD02 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.75 C#Cc1ccccc1CC(=O)N 1P01EN8O [0,2,0,0,0,0|1,0,0]=3 4386 B12R1.75 C#Cc1ccccc1NC(=O)C 1P01CAC7 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.75 C=Cc1ccccc1OC(=O)C 1P003O3B [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.75 CCc1ccccc1CC(=O)O 1P01B1QZ [0,2,0,0,0,0|0,0,0]=2 4389 B12R1.75 CCc1ccccc1OC(=O)C 1P00310J [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.75 COc1ccccc1CC(=O)Cl 1P00BDPD [0,2,0,0,0,0|1,0,0]=3 4391 B12R1.75 COc1ccccc1CC(=O)N 1P00C6TR [0,2,0,0,0,0|1,0,0]=3 4392 B12R1.75 COc1ccccc1CC(=O)O 1P003I14 [0,2,0,0,0,0|0,0,0]=2 4393 B12R1.75 COc1ccccc1CC(O)C 1P001ODG [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.75 COc1ccccc1C[C@@H](O)C 1P019RP5 [0,2,0,0,0,0|1,0,1]=4 4395 B12R1.75 COc1ccccc1C[C@H](O)C 1P019RP6 [0,2,0,0,0,0|1,0,1]=4 4396 B12R1.75 COc1ccccc1NC(=O)C 1P003TW2 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.75 COc1ccccc1OC(=O)C 1P007K8N [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.75 COc1ccccc1OC(=O)Cl 1P002M07 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.75 COc1cccnc1CC(=O)O 1P01BH08 [0,2,0,0,0,0|1,0,0]=3 4400 B12R1.75 COc1cccnc1CC(=O)[O-] 1P001V8R [0,2,0,0,0,0|1,0,1]=4 4401 B12R1.75 COc1ncccc1CC(=O)O 1P00BXXI [0,2,0,0,0,0|1,0,0]=3 4402 B12R1.75 CSc1ccccc1CC(=O)C 1P01A6PH [0,2,0,0,0,0|1,0,0]=3 4403 B12R1.75 CSc1ccccc1CC(=O)O 1P007YVE [0,2,0,0,0,0|0,0,0]=2 4404 B12R1.75 CSc1ccccc1NC(=O)C 1P00ECV1 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.75 CSc1ccccc1OC(=O)C 1P028MS5 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.75 ClCc1ccccc1CC(=O)O 1P003AF9 [0,2,0,0,0,0|0,0,0]=2 4407 B12R1.75 ClCc1ccccc1NC(=O)C 1P01EMA2 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.75 N#Cc1ccccc1CC(=O)O 1P0039DC [0,2,0,0,0,0|0,0,0]=2 4409 B12R1.75 N#Cc1ccccc1NC(=O)C 1P00C522 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.75 N#Cc1ccccc1NC(=O)N 1P00E5Y5 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.75 N#Cc1ccccc1OC(=O)C 1P003GRC [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.75 NCc1ccccc1CC(=O)O 1P0033KY [0,2,0,0,0,0|0,0,0]=2 4413 B12R1.75 NCc1ccccc1NC(=O)C 1P019Q8P [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.75 O=Cc1ccccc1CC(=O)O 1P00ABZG [0,2,0,0,0,0|0,0,0]=2 4415 B12R1.75 O=Cc1ccccc1NC(=O)C 1P0070B5 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.75 O=Cc1ccccc1OC(=O)C 1P00ELLC [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.75 OCc1ccccc1CC(=O)[O-] 1P01AGG9 [0,2,0,0,0,0|0,0,1]=3 4418 B12R1.75 OCc1ccccc1NC(=O)C 1P002KO2 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.75 SCc1ccccc1CC(=O)O 1P01BBX3 [0,2,0,0,0,0|0,0,0]=2 4420 B12R1.127 CC(=O)Cc1cc(F)ccc1Br 1P01AIMK [0,2,0,0,0,0|1,0,0]=3 4421 B12R1.127 CC(=O)Cc1cc(F)ccc1F 1P01EROX [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.127 CC(=O)Cn1cc(Br)ccc1=O 1P01BEMQ [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.127 CC(=O)Nc1cc(Br)ccc1Br 1P00BJ57 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.127 CC(=O)Nc1cc(C)ccc1Br 1P000TNP [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.127 CC(=O)Nc1cc(C)ccc1C 1P002A9U [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.127 CC(=O)Nc1cc(C)ccc1Cl 1P01BBLF [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.127 CC(=O)Nc1cc(C)ccc1O 1P00IBQ9 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.127 CC(=O)Nc1cc(Cl)ccc1Cl 1P002SQY [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.127 CC(=O)Nc1cc(Cl)ccc1N 1P01A9IB [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O 1P002TVM [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.127 CC(=O)Nc1cc(F)ccc1Br 1P024HZ8 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.127 CC(=O)Nc1cc(F)ccc1F 1P00CBBL [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.127 CC(=O)Nc1cc(F)ccc1I 1P000EMP [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.127 CC(=O)Nc1cc(N)ccc1Cl 1P00EETD [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.127 CC(=O)Nc1cc(N)ccc1F 1P00G53P [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.127 CC(=O)Nc1cc(N)ccc1O 1P002MXE [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.127 CC(=O)Nc1cc(O)ccc1Cl 1P00A23V [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.127 CC(=O)Nc1cc(O)ccc1O 1P01XDDE [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.127 CC(Cc1cc(F)ccc1Br)O 1P019U7P [0,2,0,0,0,0|1,0,1]=4 4440 B12R1.127 CS(=O)Cc1cc(F)ccc1N 1P01AC67 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.127 CS(=O)Cc1cc(N)ccc1Cl 1P01AJA3 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.127 Cc1cc(CC(=O)O)c(cc1)Br 1P0029AO [0,2,0,0,0,0|0,0,0]=2 4443 B12R1.127 Cc1cc(CC(=O)O)c(cc1)Cl 1P00IDO0 [0,2,0,0,0,0|0,0,0]=2 4444 B12R1.127 Cc1cc(CC(=O)O)c(cc1)F 1P00299O [0,2,0,0,0,0|0,0,0]=2 4445 B12R1.127 Cc1cc(CC(=O)O)c(cc1)O 1P028MBW [0,2,0,0,0,0|0,0,0]=2 4446 B12R1.127 Cc1ccc(=O)n(n1)CC(=O)O 1P00C8ZJ [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.127 Cc1ccc(cc1CC(=O)Cl)C 1P00DE01 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.127 Cc1ccc(cc1CC(=O)O)Br 1P0039XU [0,2,0,0,0,0|0,0,0]=2 4449 B12R1.127 Cc1ccc(cc1CC(=O)O)C 1P003GGS [0,2,0,0,0,0|0,0,0]=2 4450 B12R1.127 Cc1ccc(cc1CC(=O)O)Cl 1P027VT5 [0,2,0,0,0,0|0,0,0]=2 4451 B12R1.127 Cc1ccc(cc1CC(=O)O)F 1P002SNB [0,2,0,0,0,0|0,0,0]=2 4452 B12R1.127 Cc1ccc(cc1CC(=O)O)I 1P028A87 [0,2,0,0,0,0|0,0,0]=2 4453 B12R1.127 Cc1ccc(cc1CC(=S)N)C 1P01AC6Q [0,2,0,0,0,0|1,1,0]=4 4454 B12R1.127 Cc1ccc(cc1NC(=O)C)Br 1P000CYH [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.127 Cc1ccc(cc1NC(=O)C)F 1P00CLHR [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.127 Cc1ccc(cc1NC(=O)C)N 1P00DCZN [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.127 Cc1ccc(cc1NC(=O)N)C 1P01C7OG [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.127 Cc1ccc(cc1OC(=O)C)Br 1P028OYV [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.127 Cc1cn(CC(=O)O)c(=O)cc1 1P0284AN [0,2,0,0,0,0|1,0,0]=3 4460 B12R1.127 Cc1ncc(cc1CC(=O)O)Cl 1P028G4B [0,2,0,0,0,0|1,0,0]=3 4461 B12R1.127 ClC(=O)Cc1cc(Cl)ccc1Cl 1P0029AM [0,2,0,0,0,0|1,0,0]=3 4462 B12R1.127 Fc1ccc(cc1CC(=O)Cl)F 1P00ABJI [0,2,0,0,0,0|1,0,0]=3 4463 B12R1.127 NC(=O)Cn1cc(N)ccc1=O 1P01A7UC [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.127 NC(=O)Nc1cc(Cl)ccc1O 1P00EFZW [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.127 NC(=O)Nc1cc(N)ccc1F 1P01ALSY [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.127 Nc1cc(CC(=O)O)c(cc1)F 1P00DNW2 [0,2,0,0,0,0|0,0,0]=2 4467 B12R1.127 Nc1ccc(cc1CC(=O)O)Br 1P00ICWI [0,2,0,0,0,0|0,0,0]=2 4468 B12R1.127 Nc1ccc(cc1CC(=O)O)F 1P01KLLI [0,2,0,0,0,0|0,0,0]=2 4469 B12R1.127 OC(=O)Cc1cc(=O)[nH][nH]c1=O 1P0074Q4 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.127 OC(=O)Cc1cc(Br)ccc1Br 1P0029AP [0,2,0,0,0,0|0,0,0]=2 4471 B12R1.127 OC(=O)Cc1cc(Br)ccc1Cl 1P00265R [0,2,0,0,0,0|0,0,0]=2 4472 B12R1.127 OC(=O)Cc1cc(Br)ccc1F 1P003MXR [0,2,0,0,0,0|0,0,0]=2 4473 B12R1.127 OC(=O)Cc1cc(Br)ccc1I 1P00IMH6 [0,2,0,0,0,0|0,0,0]=2 4474 B12R1.127 OC(=O)Cc1cc(Br)cnc1F 1P021UWC [0,2,0,0,0,0|1,0,0]=3 4475 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br 1P0033M8 [0,2,0,0,0,0|0,0,0]=2 4476 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Cl 1P00DFVY [0,2,0,0,0,0|0,0,0]=2 4477 B12R1.127 OC(=O)Cc1cc(Cl)ccc1F 1P002SIJ [0,2,0,0,0,0|0,0,0]=2 4478 B12R1.127 OC(=O)Cc1cc(F)ccc1Br 1P003H6G [0,2,0,0,0,0|0,0,0]=2 4479 B12R1.127 OC(=O)Cc1cc(F)ccc1Cl 1P00265S [0,2,0,0,0,0|0,0,0]=2 4480 B12R1.127 OC(=O)Cc1cc(F)ccc1F 1P0033GZ [0,2,0,0,0,0|0,0,0]=2 4481 B12R1.127 OC(=O)Cc1cc(F)ncc1Br 1P028YFC [0,2,0,0,0,0|1,0,0]=3 4482 B12R1.127 OC(=O)Cc1cc(I)ccc1Br 1P000SEY [0,2,0,0,0,0|0,0,0]=2 4483 B12R1.127 OC(=O)Cc1cc(I)ccc1F 1P027XGD [0,2,0,0,0,0|0,0,0]=2 4484 B12R1.127 OC(=O)Cc1cc(O)ccc1Br 1P0288AC [0,2,0,0,0,0|0,0,0]=2 4485 B12R1.127 OC(=O)Cc1cc(O)ccc1F 1P001LTA [0,2,0,0,0,0|0,0,0]=2 4486 B12R1.127 OC(=O)Cc1cc(O)ccc1O 1P003RER [0,2,0,0,0,0|0,0,0]=2 4487 B12R1.127 OC(=O)Cn1[nH]c(=O)ccc1=O 1P0005BJ [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.127 OC(=O)Cn1cc(Br)ccc1=O 1P00H3M0 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.127 OC(=O)Cn1cc(F)ccc1=O 1P028D8R [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.127 OC(=O)Cn1cc(I)ccc1=O 1P028ALS [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.127 OC(=O)Cn1nc(Cl)ccc1=O 1P003Y58 [0,2,0,0,0,0|2,0,0]=4 4492 B12R1.127 Oc1ccc(cc1CC(=O)O)Br 1P00CJAH [0,2,0,0,0,0|0,0,0]=2 4493 B12R1.127 Oc1ccc(cc1CC(=O)O)Cl 1P00BKCM [0,2,0,0,0,0|0,0,0]=2 4494 B12R1.127 [O-]C(=O)Cc1nc(C)ccc1Br 1P028KWK [0,2,0,0,0,0|1,0,1]=4 4495 B12R1.151 Brc1ccccc1CC(O)(C)C 1P000TBB [0,2,0,0,0,0|1,0,1]=4 4496 B12R1.151 Brc1ccccc1CS(=O)(=O)C 1P002RB8 [0,2,0,0,0,0|1,0,1]=4 4497 B12R1.151 Brc1ccccc1CS(=O)(=O)Cl 1P002QIO [0,2,0,0,0,0|1,0,1]=4 4498 B12R1.151 Brc1ccccc1CS(=O)(=O)N 1P009MQP [0,2,0,0,0,0|1,0,1]=4 4499 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl 1P006GII [0,2,0,0,0,0|1,0,1]=4 4500 B12R1.151 Cc1ccccc1CS(=O)(=O)N 1P01AGD4 [0,2,0,0,0,0|1,0,1]=4 4501 B12R1.151 Clc1ccccc1CC(O)(C)C 1P00F3VX [0,2,0,0,0,0|1,0,1]=4 4502 B12R1.151 Clc1ccccc1CS(=O)(=O)Cl 1P003C3L [0,2,0,0,0,0|1,0,1]=4 4503 B12R1.151 Clc1ccccc1CS(=O)(=O)F 1P019ZCB [0,2,0,0,0,0|1,0,1]=4 4504 B12R1.151 Clc1ccccc1CS(=O)(=O)N 1P00H37B [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.151 Fc1ccccc1CC(O)(C)C 1P01DZP5 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.151 Fc1ccccc1CS(=O)(=O)C 1P00BEJD [0,2,0,0,0,0|1,0,1]=4 4507 B12R1.151 Fc1ccccc1CS(=O)(=O)Cl 1P002QIR [0,2,0,0,0,0|1,0,1]=4 4508 B12R1.151 Fc1ccccc1CS(=O)(=O)F 1P01A9IS [0,2,0,0,0,0|1,0,1]=4 4509 B12R1.151 Fc1ccccc1CS(=O)(=O)N 1P019LVP [0,2,0,0,0,0|1,0,1]=4 4510 B12R1.151 Ic1ccccc1CS(=O)(=O)N 1P028BQJ [0,2,0,0,0,0|1,0,1]=4 4511 B12R1.151 Nc1ccccc1CS(=O)(=O)C 1P00I59T [0,2,0,0,0,0|1,0,1]=4 4512 B12R1.151 Nc1ccccc1CS(=O)(=O)N 1P01A69E [0,2,0,0,0,0|1,0,1]=4 4513 B12R1.151 Nc1ccccc1CS(=O)(=O)N 1P01BAYL [0,2,0,0,0,0|1,0,1]=4 4514 B12R1.151 Oc1ccccc1CS(=O)(=O)C 1P00I9ZX [0,2,0,0,0,0|1,0,1]=4 4515 B12R1.151 Oc1ccccc1CS(=O)(=O)N 1P028ZW9 [0,2,0,0,0,0|1,0,1]=4 4516 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1P023RXF [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1P0006WM [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1P00EM4Z [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1P00CCKQ [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.224 CC(Cc1cccc(c1Br)F)O 1P01A0N3 [0,2,0,0,0,0|1,0,1]=4 4521 B12R1.224 CC(Cc1cccc(c1F)Cl)O 1P01BD62 [0,2,0,0,0,0|1,0,1]=4 4522 B12R1.224 Cc1c(CC(=O)O)cccc1Br 1P000SCV [0,2,0,0,0,0|0,0,0]=2 4523 B12R1.224 Cc1c(CC(=O)O)cccc1C 1P0032AZ [0,2,0,0,0,0|0,0,0]=2 4524 B12R1.224 Cc1c(CC(=O)O)cccc1Cl 1P024Y4U [0,2,0,0,0,0|0,0,0]=2 4525 B12R1.224 Cc1c(CC(=O)O)cccc1F 1P006WGP [0,2,0,0,0,0|0,0,0]=2 4526 B12R1.224 Cc1c(CC(=O)O)cccc1I 1P000SAS [0,2,0,0,0,0|0,0,0]=2 4527 B12R1.224 Cc1c(CC(=O)O)cccc1N 1P00BJYE [0,2,0,0,0,0|0,0,0]=2 4528 B12R1.224 Cc1c(CS(=O)C)cccc1N 1P01AJK1 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.224 Cc1c(NC(=O)C)cccc1N 1P00FCWI [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.224 Cc1c(NC(=O)N)cccc1C 1P00AJIJ [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.224 Cc1cccc(c1Br)CC(=O)N 1P01XCHG [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.224 Cc1cccc(c1Br)CC(=O)O 1P002Q81 [0,2,0,0,0,0|0,0,0]=2 4533 B12R1.224 Cc1cccc(c1Cl)CC(=O)O 1P01BE7F [0,2,0,0,0,0|0,0,0]=2 4534 B12R1.224 Cc1cccc(c1F)CC(=O)O 1P01KCN5 [0,2,0,0,0,0|0,0,0]=2 4535 B12R1.224 Cc1cccc(c1I)CC(=O)O 1P0292DT [0,2,0,0,0,0|0,0,0]=2 4536 B12R1.224 Cc1cccc(c1N)CC(=O)O 1P00A0IY [0,2,0,0,0,0|0,0,0]=2 4537 B12R1.224 Cc1cccc(c1O)CC(=O)O 1P01OTH1 [0,2,0,0,0,0|0,0,0]=2 4538 B12R1.224 Cc1cccn(c1=O)CC(=O)O 1P00VU18 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.224 Nc1c(CC(=O)O)cccc1Br 1P000SIH [0,2,0,0,0,0|0,0,0]=2 4540 B12R1.224 Nc1c(CC(=O)O)cccc1N 1P01BD73 [0,2,0,0,0,0|0,0,0]=2 4541 B12R1.224 Nc1cccn(c1=O)CC(=O)O 1P01A315 [0,2,0,0,0,0|1,0,0]=3 4542 B12R1.224 OC(=O)Cc1cccc(c1Br)Cl 1P000SHC [0,2,0,0,0,0|0,0,0]=2 4543 B12R1.224 OC(=O)Cc1cccc(c1Br)F 1P005XGS [0,2,0,0,0,0|0,0,0]=2 4544 B12R1.224 OC(=O)Cc1cccc(c1Cl)Br 1P000S74 [0,2,0,0,0,0|0,0,0]=2 4545 B12R1.224 OC(=O)Cc1cccc(c1Cl)Cl 1P0007PV [0,2,0,0,0,0|0,0,0]=2 4546 B12R1.224 OC(=O)Cc1cccc(c1Cl)F 1P00015H [0,2,0,0,0,0|0,0,0]=2 4547 B12R1.224 OC(=O)Cc1cccc(c1F)Br 1P001428 [0,2,0,0,0,0|0,0,0]=2 4548 B12R1.224 OC(=O)Cc1cccc(c1F)Cl 1P002SIK [0,2,0,0,0,0|0,0,0]=2 4549 B12R1.224 OC(=O)Cc1cccc(c1F)F 1P001DRS [0,2,0,0,0,0|0,0,0]=2 4550 B12R1.224 OC(=O)Cc1cccc(c1F)O 1P01ACQW [0,2,0,0,0,0|0,0,0]=2 4551 B12R1.224 OC(=O)Cc1cccc(c1I)Br 1P028148 [0,2,0,0,0,0|0,0,0]=2 4552 B12R1.224 OC(=O)Cc1cccc(c1O)O 1P00C2W0 [0,2,0,0,0,0|0,0,0]=2 4553 B12R1.224 OC(=O)Cc1ccnc(c1F)Cl 1P028SCT [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.224 OC(=O)Cc1ccnc(c1F)F 1P01OR6U [0,2,0,0,0,0|1,0,0]=3 4555 B12R1.224 OC(=O)Cn1cccc(c1=O)O 1P01S7MK [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.224 Oc1c(CC(=O)O)cccc1Br 1P024911 [0,2,0,0,0,0|0,0,0]=2 4557 B12R1.224 Oc1c(CC(=O)O)cccc1Cl 1P024UL9 [0,2,0,0,0,0|0,0,0]=2 4558 B12R1.224 Oc1c(CC(=O)O)cccc1F 1P01BIJU [0,2,0,0,0,0|0,0,0]=2 4559 B12R1.224 [O-]C(=O)Cc1nccc(c1C)Cl 1P028DI4 [0,2,0,0,0,0|1,0,1]=4 4560 B12R1.1009 CC(=O)Cc1c(Cl)cccc1Cl 1P003GKE [0,2,0,0,0,0|1,0,0]=3 4561 B12R1.1009 CC(=O)Nc1c(C)cccc1C 1P003SP2 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.1009 CC(=O)Nc1c(C)cccc1F 1P021S6H [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.1009 CC(=O)Nc1c(C)cccc1O 1P00588T [0,2,0,0,0,0|2,0,0]=4 4564 B12R1.1009 CC(=O)Nc1c(Cl)cccc1Cl 1P0025IX [0,2,0,0,0,0|2,0,0]=4 4565 B12R1.1009 CC(Cc1c(Cl)cccc1Cl)O 1P019Z6J [0,2,0,0,0,0|1,0,1]=4 4566 B12R1.1009 ClC(=O)Cc1c(Cl)cccc1Cl 1P00JLHW [0,2,0,0,0,0|1,0,0]=3 4567 B12R1.1009 NC(=N)Cc1c(Cl)cccc1Cl 1P00APO9 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.1009 NC(=N)Cc1c(F)cccc1Cl 1P01A12D [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.1009 NC(=O)Cc1c(Cl)cccc1Cl 1P005BKG [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.1009 NC(=O)Cc1c(F)cccc1Cl 1P01AB0B [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.1009 NC(=O)Cc1c(F)cccc1F 1P0091YL [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.1009 NC(=O)Nc1c(Cl)cccc1Cl 1P01B5HD [0,2,0,0,0,0|2,0,0]=4 4573 B12R1.1009 NC(=S)Cc1c(Cl)cccc1Cl 1P0020UG [0,2,0,0,0,0|1,1,0]=4 4574 B12R1.1009 NC(=S)Cc1c(F)cccc1Cl 1P019ML8 [0,2,0,0,0,0|1,1,0]=4 4575 B12R1.1009 OB(Cc1c(Cl)cccc1Cl)O 1P003C1S [0,2,0,0,0,0|1,0,1]=4 4576 B12R1.1009 OC(=O)Cc1c(Br)cccc1Br 1P006JKN [0,2,0,0,0,0|0,0,0]=2 4577 B12R1.1009 OC(=O)Cc1c(C)cccc1Br 1P0293R0 [0,2,0,0,0,0|0,0,0]=2 4578 B12R1.1009 OC(=O)Cc1c(C)cccc1C 1P00H1GQ [0,2,0,0,0,0|0,0,0]=2 4579 B12R1.1009 OC(=O)Cc1c(C)cccc1Cl 1P01BDLE [0,2,0,0,0,0|0,0,0]=2 4580 B12R1.1009 OC(=O)Cc1c(C)ncnc1C 1P01BFQ1 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.1009 OC(=O)Cc1c(Cl)cccc1Br 1P01AVGQ [0,2,0,0,0,0|0,0,0]=2 4582 B12R1.1009 OC(=O)Cc1c(Cl)cccc1Cl 1P003GJW [0,2,0,0,0,0|0,0,0]=2 4583 B12R1.1009 OC(=O)Cc1c(Cl)cncc1Cl 1P00BJ7L [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.1009 OC(=O)Cc1c(Cl)ncnc1Cl 1P00GTI2 [0,2,0,0,0,0|2,0,0]=4 4585 B12R1.1009 OC(=O)Cc1c(F)cccc1Br 1P009GXH [0,2,0,0,0,0|0,0,0]=2 4586 B12R1.1009 OC(=O)Cc1c(F)cccc1Cl 1P003HH6 [0,2,0,0,0,0|0,0,0]=2 4587 B12R1.1009 OC(=O)Cc1c(F)cccc1F 1P0033IB [0,2,0,0,0,0|0,0,0]=2 4588 B12R1.1009 OC(=O)Cc1c(F)cncc1Cl 1P01A56N [0,2,0,0,0,0|1,0,0]=3 4589 B12R1.1009 OC(=O)Cc1c(O)ncnc1O 1P019Q8K [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.1009 [O-]C(=O)Cc1c(Cl)cncc1Cl 1P028GVM [0,2,0,0,0,0|1,0,1]=4 4591 B12R1.1009 [O-]S(=O)Cc1c(F)cccc1Cl 1P001HMF [0,2,0,0,0,0|1,0,1]=4 4592 B12R1.101 CC(=O)Cc1cc(F)cc(c1)F 1P01JTCQ [0,2,0,0,0,0|1,0,0]=3 4593 B12R1.101 CC(=O)Nc1cc(F)cc(c1)F 1P00C1GB [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.101 CC(=O)Oc1cc(Br)cc(c1)Br 1P01EHSU [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.101 CC(Cc1cc(F)cc(c1)Br)O 1P019YRA [0,2,0,0,0,0|1,0,1]=4 4596 B12R1.101 ClC(=O)Cc1cc(F)cc(c1)F 1P001PMR [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.101 ClC(=O)Oc1cc(Cl)cc(c1)Cl 1P01ACSP [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.101 NC(=O)Nc1cc(F)cc(c1)F 1P01DJ27 [0,2,0,0,0,0|2,0,0]=4 4599 B12R1.101 NC(=S)Cc1cc(F)cc(c1)Cl 1P02902N [0,2,0,0,0,0|1,1,0]=4 4600 B12R1.101 OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 1P00DGN0 [0,2,0,0,0,0|2,0,0]=4 4601 B12R1.101 OC(=O)Cc1cc(Br)cc(c1)Br 1P002HAX [0,2,0,0,0,0|0,0,0]=2 4602 B12R1.101 OC(=O)Cc1cc(Br)cc(c1)I 1P01C54O [0,2,0,0,0,0|0,0,0]=2 4603 B12R1.101 OC(=O)Cc1cc(C)cc(c1)Br 1P01FHRG [0,2,0,0,0,0|0,0,0]=2 4604 B12R1.101 OC(=O)Cc1cc(C)cc(c1)C 1P003J5S [0,2,0,0,0,0|0,0,0]=2 4605 B12R1.101 OC(=O)Cc1cc(C)cc(c1)Cl 1P027XNR [0,2,0,0,0,0|0,0,0]=2 4606 B12R1.101 OC(=O)Cc1cc(C)cc(c1)F 1P00DG04 [0,2,0,0,0,0|0,0,0]=2 4607 B12R1.101 OC(=O)Cc1cc(C)nc(c1)C 1P00J393 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.101 OC(=O)Cc1cc(C)nc(c1)O 1P0201C2 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Br 1P024LEE [0,2,0,0,0,0|0,0,0]=2 4610 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl 1P003J2O [0,2,0,0,0,0|0,0,0]=2 4611 B12R1.101 OC(=O)Cc1cc(F)cc(c1)Br 1P0028GJ [0,2,0,0,0,0|0,0,0]=2 4612 B12R1.101 OC(=O)Cc1cc(F)cc(c1)Cl 1P0028GI [0,2,0,0,0,0|0,0,0]=2 4613 B12R1.101 OC(=O)Cc1cc(F)cc(c1)F 1P003J3Q [0,2,0,0,0,0|0,0,0]=2 4614 B12R1.101 OC(=O)Cc1cc(F)nc(c1)F 1P02853C [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.101 OC(=O)Cc1cc(N)cc(c1)Br 1P01BS3C [0,2,0,0,0,0|0,0,0]=2 4616 B12R1.101 OC(=O)Cc1cc(O)cc(c1)Br 1P01ELLN [0,2,0,0,0,0|0,0,0]=2 4617 B12R1.101 OC(=O)Cc1cc(O)cc(c1)O 1P00DEB9 [0,2,0,0,0,0|0,0,0]=2 4618 B12R1.101 [O-]C(=O)Cc1cc(Br)cc(n1)C 1P01ELNL [0,2,0,0,0,0|1,0,1]=4 4619 B12R1.101 [O-]C(=O)Cc1cc(Br)nc(c1)Br 1P028OBS [0,2,0,0,0,0|1,0,1]=4 4620 B12R1.119 Brc1cccc(c1)CC(O)(C)C 1P00CNSE [0,2,0,0,0,0|1,0,1]=4 4621 B12R1.119 Brc1cccc(c1)CP(=O)(C)C 1P028VHG [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.119 Brc1cccc(c1)CS(=O)(=O)C 1P00ACSX [0,2,0,0,0,0|1,0,1]=4 4623 B12R1.119 Brc1cccc(c1)CS(=O)(=O)Cl 1P00ECQT [0,2,0,0,0,0|1,0,1]=4 4624 B12R1.119 Brc1cccc(c1)CS(=O)(=O)N 1P01BHRE [0,2,0,0,0,0|1,0,1]=4 4625 B12R1.119 Cc1cccc(c1)CC(O)(C)C 1P00ATN6 [0,2,0,0,0,0|1,0,1]=4 4626 B12R1.119 Cc1cccc(c1)CP(=O)(O)O 1P002E5P [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.119 Cc1cccc(c1)CS(=O)(=O)Cl 1P00394O [0,2,0,0,0,0|1,0,1]=4 4628 B12R1.119 Cc1cccc(c1)CS(=O)(=O)F 1P01A9IQ [0,2,0,0,0,0|1,0,1]=4 4629 B12R1.119 Cc1cccc(c1)CS(=O)(=O)N 1P01AGD3 [0,2,0,0,0,0|1,0,1]=4 4630 B12R1.119 Clc1cccc(c1)CC(O)(C)C 1P01B8R3 [0,2,0,0,0,0|1,0,1]=4 4631 B12R1.119 Clc1cccc(c1)CS(=O)(=O)Cl 1P002QIP [0,2,0,0,0,0|1,0,1]=4 4632 B12R1.119 Clc1cccc(c1)CS(=O)(=O)N 1P0040PK [0,2,0,0,0,0|1,0,1]=4 4633 B12R1.119 Fc1cccc(c1)CS(=O)(=O)Cl 1P002QIQ [0,2,0,0,0,0|1,0,1]=4 4634 B12R1.119 Fc1cccc(c1)CS(=O)(=O)N 1P0067M4 [0,2,0,0,0,0|1,0,1]=4 4635 B12R1.119 Fc1cccc(c1)CS(=O)(=O)O 1P01C5AG [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.119 Nc1cccc(c1)CS(=O)(=O)C 1P00BHUV [0,2,0,0,0,0|1,0,1]=4 4637 B12R1.119 Nc1cccc(c1)CS(=O)(=O)F 1P01FL3W [0,2,0,0,0,0|1,0,1]=4 4638 B12R1.119 Nc1cccc(c1)CS(=O)(=O)N 1P00CA6F [0,2,0,0,0,0|1,0,1]=4 4639 B12R1.119 Oc1cccc(c1)CS(=O)(=O)N 1P0287S9 [0,2,0,0,0,0|1,0,1]=4 4640 B12R1.438 BrCc1cccc(c1)CC(=O)O 1P008XSM [0,2,0,0,0,0|0,0,0]=2 4641 B12R1.438 BrCc1cccc(c1)OC(=O)C 1P00DMFK [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.438 C#Cc1cccc(c1)CC(=O)O 1P00LGH0 [0,2,0,0,0,0|0,0,0]=2 4643 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1P0063BL [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.438 C#Cc1cccc(c1)NC(=O)N 1P019UHM [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.438 CCc1cccc(c1)CC(=O)O 1P01A259 [0,2,0,0,0,0|0,0,0]=2 4646 B12R1.438 COc1cc(CC(=O)O)cnc1 1P01A5X6 [0,2,0,0,0,0|1,0,0]=3 4647 B12R1.438 COc1cccc(c1)CC(=N)N 1P00ECGZ [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.438 COc1cccc(c1)CC(=O)C 1P002ZVT [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.438 COc1cccc(c1)CC(=O)Cl 1P003K4I [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.438 COc1cccc(c1)CC(=O)O 1P0027Q3 [0,2,0,0,0,0|0,0,0]=2 4651 B12R1.438 COc1cccc(c1)NC(=O)C 1P00E9P4 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.438 COc1cccc(n1)CC(=O)C 1P01A6SY [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.438 COc1cccc(n1)CC(=O)O 1P003FF6 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.438 COc1cccc(n1)CC(=O)O 1P01AD1B [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.438 COc1cccc(n1)CC(=O)[O-] 1P01EI8U [0,2,0,0,0,0|1,0,1]=4 4656 B12R1.438 COc1nccc(c1)CC(=O)C 1P01ANP5 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.438 COc1nccc(c1)CC(=O)O 1P00DKUY [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.438 COc1nccc(c1)CC(=O)O 1P01ALMK [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.438 CSc1cccc(c1)CC(=O)O 1P003IQ0 [0,2,0,0,0,0|0,0,0]=2 4660 B12R1.438 CSc1cccc(c1)NC(=O)C 1P003SQW [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.438 CSc1cccc(c1)NC(=O)N 1P004XCA [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.438 ClCc1cccc(c1)CC(=O)O 1P005021 [0,2,0,0,0,0|0,0,0]=2 4663 B12R1.438 ClCc1cccc(c1)NC(=O)C 1P01A9Q4 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.438 ClCc1cccc(c1)OC(=O)C 1P00I8YV [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.438 N#Cc1cccc(c1)CC(=O)C 1P00FCFA [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.438 N#Cc1cccc(c1)CC(=O)O 1P002GYJ [0,2,0,0,0,0|0,0,0]=2 4667 B12R1.438 N#Cc1cccc(c1)NC(=O)C 1P00EBHQ [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.438 N#Cc1nccc(c1)CC(=O)O 1P00DAOF [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.438 NCc1cccc(c1)CC(=O)O 1P0009CB [0,2,0,0,0,0|0,0,0]=2 4670 B12R1.438 NCc1cccc(c1)NC(=O)C 1P003J9B [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.438 NCc1cccc(c1)NC(=O)C 1P00C2B4 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.438 NCc1cccc(c1)NC(=O)N 1P019V5I [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.438 NNc1cccc(c1)NC(=O)C 1P00DMPF [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.438 NNc1cccc(c1)NC(=O)C 1P028GOX [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.438 NNc1cccc(c1)NC(=O)C 1P028LJ3 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.438 O=Cc1cccc(c1)CC(=O)O 1P00D2B9 [0,2,0,0,0,0|0,0,0]=2 4677 B12R1.438 O=Cc1cccc(c1)NC(=O)C 1P0035R4 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.438 O=Cc1cccc(c1)OC(=O)C 1P003J9I [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.438 OC(=O)Cc1cc(cnc1)C#N 1P01BIHK [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.438 OCc1cccc(c1)NC(=O)C 1P001UU3 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.438 [O-]C(=O)Cc1cc(OC)ccn1 1P01BFWN [0,2,0,0,0,0|1,0,1]=4 4682 B12R1.438 [O-]C(=O)Cc1cc(ccn1)C#N 1P01B81S [0,2,0,0,0,0|1,0,1]=4 4683 B12R1.438 [O-]C(=O)Cc1cc(ccn1)C#N 1P01EKK9 [0,2,0,0,0,0|1,0,1]=4 4684 B10R1.66 CC(=O)OC=C1C=CC=C1 1P01DQRM [0,0,1,1,0,0|2,0,0]=4 4685 B10R1.66 OC(=O)C=Cc1c[nH]cc1 1P0051EL [0,0,1,1,0,0|1,0,1]=4 4686 B10R1.66 OC(=O)C=Cc1ccc[nH]1 1P00DM57 [0,0,1,1,0,0|1,0,1]=4 4687 B10R1.66 OC(=O)C=Cc1ccco1 1P00DENX [0,0,1,1,0,0|1,0,1]=4 4688 B10R1.66 OC(=O)C=Cc1cccs1 1P008S57 [0,0,1,1,0,0|1,0,1]=4 4689 B10R1.66 OC(=O)C=Cc1cocc1 1P00G5E1 [0,0,1,1,0,0|1,0,1]=4 4690 B10R1.66 OC(=O)C=Cc1cscc1 1P000JD6 [0,0,1,1,0,0|1,0,1]=4 4691 B10R1.66 OC(=O)CCc1c[nH]cc1 1P0080G3 [0,0,1,1,0,0|1,0,1]=4 4692 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,0,1,1,0,0|1,0,1]=4 4693 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,0,1,1,0,0|1,0,1]=4 4694 B10R1.66 OC(=O)CCc1cccs1 1P00IB02 [0,0,1,1,0,0|1,0,1]=4 4695 B10R1.66 OC(=O)CCc1cocc1 1P00H4YT [0,0,1,1,0,0|1,0,1]=4 4696 B10R1.66 OC(=O)CCc1cscc1 1P001UUQ [0,0,1,1,0,0|1,0,1]=4 4697 B10R1.66 OC(=O)CCn1cccc1 1P00360M [0,0,1,1,0,0|1,0,1]=4 4698 B10R1.66 OC(=O)COc1cscc1 1P008NEQ [0,0,1,1,0,0|2,0,0]=4 4699 B10R1.66 OC(=O)CSc1cccs1 1P005EK9 [0,0,1,1,0,0|2,0,0]=4 4700 B10R1.66 OC(=O)\C=C\c1c[nH]cc1 1P019TTF [0,0,1,1,0,0|1,0,1]=4 4701 B10R1.66 OC(=O)\C=C\c1ccco1 1P001PJ5 [0,0,1,1,0,0|1,0,1]=4 4702 B10R1.66 OC(=O)\C=C\c1cccs1 1P001PJ4 [0,0,1,1,0,0|1,0,1]=4 4703 B10R1.66 OC(=O)\C=C\c1cocc1 1P003IOY [0,0,1,1,0,0|1,0,1]=4 4704 B10R1.66 OC(=O)\C=C\c1cscc1 1P0008M0 [0,0,1,1,0,0|1,0,1]=4 4705 B10R1.348 OC(=O)C1C=CC=CC=C1 1P01BDNG [0,0,1,1,0,0|0,0,0]=2 4706 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,1,0,0|1,0,1]=4 4707 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,1,0,0|1,0,1]=4 4708 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,1,0,0|0,0,1]=3 4709 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,1,0,0|0,0,1]=3 4710 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,1,0,0|0,0,1]=3 4711 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [1,0,0,1,0,0|1,0,1]=4 4712 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [1,0,0,1,0,0|1,0,1]=4 4713 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [1,0,0,1,0,0|1,0,1]=4 4714 B10R2.7 C1Oc2c(O1)cccc2 1P00I5NN [1,0,0,1,0,0|1,0,1]=4 4715 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [1,0,0,1,0,0|2,0,0]=4 4716 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [1,0,0,1,0,0|2,0,0]=4 4717 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [1,0,0,1,0,0|2,0,0]=4 4718 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [1,0,0,1,0,0|2,0,0]=4 4719 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [1,0,0,1,0,0|1,0,0]=3 4720 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [1,0,0,1,0,0|0,0,1]=3 4721 B10R2.7 c1ccc2c(c1)[nH]cc2 1P000QID [1,0,0,1,0,0|1,0,1]=4 4722 B10R2.7 c1ccc2c(c1)[nH]cn2 1P0034YF [1,0,0,1,0,0|2,0,0]=4 4723 B10R2.7 c1ccc2c(c1)[nH]cn2 1P01PO48 [1,0,0,1,0,0|2,0,0]=4 4724 B10R2.7 c1ccc2c(c1)[s+]cs2 1P003DXS [1,0,0,1,0,0|1,1,0]=4 4725 B10R2.7 c1ccc2c(c1)occ2 1P00BMCA [1,0,0,1,0,0|0,0,1]=3 4726 B10R2.7 c1ccc2c(c1)ocn2 1P0034YR [1,0,0,1,0,0|1,0,0]=3 4727 B10R2.7 c1ccc2c(c1)onc2 1P003DSK [1,0,0,1,0,0|1,0,1]=4 4728 B10R2.7 c1ccc2c(c1)scc2 1P0034YI [1,0,0,1,0,0|0,1,1]=4 4729 B10R2.7 c1ccc2c(c1)scn2 1P0034YP [1,0,0,1,0,0|1,1,0]=4 4730 B10R2.7 c1cnc2c(c1)cco2 1P007M4K [1,0,0,1,0,0|1,0,1]=4 4731 B10R2.7 c1cnc2c(c1)nco2 1P003TZE [1,0,0,1,0,0|2,0,0]=4 4732 B10R2.7 c1cnc2c(c1)occ2 1P00C2OS [1,0,0,1,0,0|1,0,1]=4 4733 B10R2.7 c1cnc2c(c1)ocn2 1P003TZD [1,0,0,1,0,0|2,0,0]=4 4734 B10R2.7 c1ncc2c(c1)cco2 1P00AQNP [1,0,0,1,0,0|1,0,1]=4 4735 B10R2.7 c1ncc2c(c1)occ2 1P00C37P [1,0,0,1,0,0|1,0,1]=4 4736 B10R2.7 c1ncc2c(c1)ocn2 1P00I5MR [1,0,0,1,0,0|2,0,0]=4 4737 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [1,0,0,1,0,0|1,0,1]=4 4738 B10R2.320 NC1Cc2c1cccc2 1P002M98 [1,0,0,1,0,0|1,0,1]=4 4739 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|0,0,0]=2 4740 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [1,0,0,1,0,0|0,0,1]=3 4741 B10R2.2 O=C1Cc2c(C1)csc2 1P02922I [0,0,0,1,1,0|2,0,0]=4 4742 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,1,0,1|2,0,0]=4 4743 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [0,0,0,1,0,1|1,0,0]=3 4744 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,1,0,1|1,0,0]=3 4745 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,0,0,1,0,1|2,0,0]=4 4746 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,1,0,1|1,0,0]=3 4747 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,0,0,1,0,1|1,0,1]=4 4748 B12R2.22 OC1CN(C1)c2ccccc2 1P00G9PC [0,0,0,1,0,1|1,0,1]=4 4749 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,0,0,1,0,1|1,0,1]=4 4750 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,0,0,1,0,1|1,0,1]=4 4751 B12R2.24 C1CC(=O)Nc2c1nccc2 1P00IIJQ [0,0,0,1,0,1|2,0,0]=4 4752 B12R2.24 C1NC(=O)Nc2c1ccnc2 1P0282NK [0,0,0,1,0,1|2,0,0]=4 4753 B12R2.24 C1Oc2ccncc2NC1=O 1P0007G7 [0,0,0,1,0,1|2,0,0]=4 4754 B12R2.24 C1Oc2ncccc2NC1=O 1P0012RC [0,0,0,1,0,1|2,0,0]=4 4755 B12R2.24 C1Sc2ccncc2NC1=O 1P019Z5Z [0,0,0,1,0,1|2,0,0]=4 4756 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,0,1|2,0,0]=4 4757 B12R2.24 CC1CNc2c(O1)cccc2 1P00EJLD [0,0,0,1,0,1|1,0,1]=4 4758 B12R2.24 CC1CNc2c(O1)cccc2 1P01APH8 [0,0,0,1,0,1|1,0,1]=4 4759 B12R2.24 C[C@@H]1CNc2c(O1)cccc2 1P0281EX [0,0,0,1,0,1|1,0,1]=4 4760 B12R2.24 C[C@H]1CNc2c(O1)cccc2 1P0280IJ [0,0,0,1,0,1|1,0,1]=4 4761 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,0,0,1,0,1|2,0,0]=4 4762 B12R2.24 NC1=Nc2c(CS1)cccc2 1P005OQX [0,0,0,1,0,1|2,0,0]=4 4763 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,0,0,1,0,1|2,0,0]=4 4764 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,0,1|1,0,0]=3 4765 B12R2.24 O=C1CCc2c(N1)ccnc2 1P006VJE [0,0,0,1,0,1|2,0,0]=4 4766 B12R2.24 O=C1CCc2c(N1)nccc2 1P00C0W4 [0,0,0,1,0,1|2,0,0]=4 4767 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,0,0,1,0,1|0,0,0]=2 4768 B12R2.24 O=C1CCn2c(=N1)cccc2 1P003IY4 [0,0,0,1,0,1|2,0,0]=4 4769 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,0,1|1,0,0]=3 4770 B12R2.24 O=C1CNc2c(N1)cccn2 1P005RRB [0,0,0,1,0,1|2,0,0]=4 4771 B12R2.24 O=C1CNc2c(N1)cncc2 1P01A89V [0,0,0,1,0,1|2,0,0]=4 4772 B12R2.24 O=C1CNc2c(N1)nccc2 1P028NIO [0,0,0,1,0,1|2,0,0]=4 4773 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,0,0,1,0,1|1,0,0]=3 4774 B12R2.24 O=C1COc2c(N1)cccc2 1P003HTH [0,0,0,1,0,1|1,0,0]=3 4775 B12R2.24 O=C1COc2c(N1)ccnc2 1P00AT1V [0,0,0,1,0,1|2,0,0]=4 4776 B12R2.24 O=C1COc2c(N1)nccc2 1P0029DK [0,0,0,1,0,1|2,0,0]=4 4777 B12R2.24 O=C1COc2c(O1)cccc2 1P00DUNM [0,0,0,1,0,1|0,0,0]=2 4778 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,0,0,1,0,1|1,0,0]=3 4779 B12R2.24 O=C1CSc2c(N1)cccc2 1P003HTJ [0,0,0,1,0,1|1,0,0]=3 4780 B12R2.24 O=C1CSc2c(N1)ccnc2 1P01DIRS [0,0,0,1,0,1|2,0,0]=4 4781 B12R2.24 O=C1CSc2c(N1)nccc2 1P01BJV6 [0,0,0,1,0,1|2,0,0]=4 4782 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,0,1|1,0,0]=3 4783 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,0,0,1,0,1|2,0,0]=4 4784 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [0,0,0,1,0,1|2,0,0]=4 4785 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,0,1|1,0,0]=3 4786 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,0,0,1,0,1|0,0,0]=2 4787 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,0,1|1,0,0]=3 4788 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [0,0,0,1,0,1|1,0,0]=3 4789 B12R2.24 O=c1[nH]cc2c(c1)cccc2 1P00AIWV [0,0,0,1,0,1|1,0,1]=4 4790 B12R2.24 O=c1ccc2c(o1)cccc2 1P00IGUT [0,0,0,1,0,1|0,0,1]=3 4791 B12R2.24 O=c1cnc2c([nH]1)cccc2 1P000PQ3 [0,0,0,1,0,1|1,0,1]=4 4792 B12R2.24 O=c1cnc2c(o1)cccc2 1P027VQP [0,0,0,1,0,1|0,0,1]=3 4793 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,0,1|1,0,1]=4 4794 B12R2.24 OC1CNc2c(C1)cccc2 1P00C6U7 [0,0,0,1,0,1|1,0,1]=4 4795 B12R2.24 OC1CNc2c(C1)cccc2 1P01BGH0 [0,0,0,1,0,1|1,0,1]=4 4796 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,0,0,1,0,1|1,0,1]=4 4797 B12R2.24 O[C@@H]1CNc2c(C1)cccc2 1P00ILOH [0,0,0,1,0,1|1,0,1]=4 4798 B12R2.24 O[C@H]1CNc2c(C1)cccc2 1P00HCNT [0,0,0,1,0,1|1,0,1]=4 4799 B12R2.24 Oc1ccc2c(c1)cccc2 1P0033VA [0,0,0,1,0,1|1,0,1]=4 4800 B12R2.24 Oc1cnc2c(c1)cccc2 1P00346Y [0,0,0,1,0,1|1,0,1]=4 4801 B12R2.24 Oc1ncc2c(c1)cccc2 1P00346S [0,0,0,1,0,1|1,0,1]=4 4802 B12R2.24 Oc1ncc2c(n1)cccc2 1P00FHGS [0,0,0,1,0,1|1,0,1]=4 4803 B12R2.24 Oc1nnc2c(c1)cccc2 1P00CJBO [0,0,0,1,0,1|2,0,0]=4 4804 B12R2.24 S=C1NCc2c(S1)cccc2 1P01EZRZ [0,0,0,1,0,1|0,2,0]=4 4805 B12R2.24 SC1=Nc2c(CS1)cccc2 1P00DBSI [0,0,0,1,0,1|1,1,0]=4 4806 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,0,0,1,0,1|1,0,1]=4 4807 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [0,0,0,1,0,1|1,0,1]=4 4808 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [0,0,0,1,0,1|1,0,1]=4 4809 B12R2.2057 O1CC1CSc2ccccc2 1P00DGA9 [0,0,0,1,0,1|1,0,1]=4 4810 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [0,0,0,1,0,1|1,0,1]=4 4811 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,0,0,1,0,1|1,0,1]=4 4812 B12R2.2403 N=S1(=O)CCc2c1cccc2 1P01B5VA [0,0,0,1,0,1|2,0,0]=4 4813 B12R2.2403 O=S1(=O)CCc2c1cccc2 1P007KUJ [0,0,0,1,0,1|1,0,1]=4 4814 B12R2.2403 O=S1(=O)NCc2c1cccc2 1P00GVCD [0,0,0,1,0,1|1,0,1]=4 4815 B12R2.2403 OP1(=O)OCc2c1cccc2 1P028I0P [0,0,0,1,0,1|1,0,0]=3 4816 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,0,1|1,0,0]=3 4817 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,0,0,1,0,1|1,0,0]=3 4818 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,0,0,1,0,1|2,0,0]=4 4819 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,0,0,1,0,1|0,0,0]=2 4820 B12R2.79 C[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P0240RJ [0,1,0,1,0,0|1,0,1]=4 4821 B12R2.294 Brc1ccc(cc1)CC2OC2 1P0291N1 [0,1,0,1,0,0|1,0,1]=4 4822 B12R2.294 Fc1ccc(cc1)CC2OC2 1P01AMTE [0,1,0,1,0,0|1,0,1]=4 4823 B12R2.606 Brc1cc2CC(=O)Nc2nc1 1P0027VC [0,1,0,1,0,0|2,0,0]=4 4824 B12R2.606 Brc1cc2NC(=O)Cc2nc1 1P000IC9 [0,1,0,1,0,0|2,0,0]=4 4825 B12R2.606 Brc1cc2[nH]c(=O)oc2nc1 1P01DFHZ [0,1,0,1,0,0|2,0,0]=4 4826 B12R2.606 Brc1cc2oc(=O)[nH]c2nc1 1P003NLM [0,1,0,1,0,0|2,0,0]=4 4827 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)[nH]2 1P00791M [0,1,0,1,0,0|2,0,0]=4 4828 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)o2 1P001F9Q [0,1,0,1,0,0|1,0,0]=3 4829 B12R2.606 Brc1ccc2c(c1)[nH]c(=O)s2 1P002CLC [0,1,0,1,0,0|1,1,0]=4 4830 B12R2.606 Brc1ccc2c(c1)[nH]c(=S)o2 1P003N0P [0,1,0,1,0,0|1,1,0]=4 4831 B12R2.606 Brc1ccc2c(c1)nc(o2)C 1P00EDS2 [0,1,0,1,0,0|2,0,0]=4 4832 B12R2.606 Brc1ccc2c(c1)nc(o2)Cl 1P003AQ7 [0,1,0,1,0,0|2,0,0]=4 4833 B12R2.606 Brc1ccc2c(c1)nc(o2)N 1P0037K0 [0,1,0,1,0,0|2,0,0]=4 4834 B12R2.606 Brc1ccc2c(c1)oc(=O)[nH]2 1P002CJ8 [0,1,0,1,0,0|1,0,0]=3 4835 B12R2.606 Brc1ccc2c(c1)oc(n2)C 1P0038Q3 [0,1,0,1,0,0|2,0,0]=4 4836 B12R2.606 Brc1ccc2c(c1)oc(n2)Cl 1P000RE4 [0,1,0,1,0,0|2,0,0]=4 4837 B12R2.606 Brc1ccc2c(c1)oc(n2)N 1P003GYO [0,1,0,1,0,0|2,0,0]=4 4838 B12R2.606 Brc1ccc2c(c1)sc(=O)[nH]2 1P00E9VF [0,1,0,1,0,0|1,1,0]=4 4839 B12R2.606 Brc1ccc2c(n1)CC(=O)N2 1P0036RL [0,1,0,1,0,0|2,0,0]=4 4840 B12R2.606 Brc1ccc2c(n1)NC(=O)C2 1P000IJ0 [0,1,0,1,0,0|2,0,0]=4 4841 B12R2.606 Brc1ccc2c(n1)[nH]c(=O)o2 1P00IMQU [0,1,0,1,0,0|2,0,0]=4 4842 B12R2.606 CC1Oc2c(C1)cc(cc2)Br 1P0007KV [0,1,0,1,0,0|1,0,1]=4 4843 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P002SRL [0,1,0,1,0,0|1,0,1]=4 4844 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P00J21L [0,1,0,1,0,0|1,0,1]=4 4845 B12R2.606 CC1Oc2c(C1)cc(cc2)N 1P01EIN8 [0,1,0,1,0,0|1,0,1]=4 4846 B12R2.606 CC1Oc2c(C1)cc(cc2)O 1P01DYW0 [0,1,0,1,0,0|1,0,1]=4 4847 B12R2.606 Cc1cc2NC(=O)Cc2nc1 1P000IJP [0,1,0,1,0,0|2,0,0]=4 4848 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 1P00IA3S [0,1,0,1,0,0|2,0,0]=4 4849 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 1P007PQT [0,1,0,1,0,0|1,0,0]=3 4850 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)s2 1P00C7SR [0,1,0,1,0,0|1,1,0]=4 4851 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 1P003BPD [0,1,0,1,0,0|1,1,0]=4 4852 B12R2.606 Cc1ccc2c(c1)nc(o2)C 1P003BM6 [0,1,0,1,0,0|2,0,0]=4 4853 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl 1P00C68S [0,1,0,1,0,0|2,0,0]=4 4854 B12R2.606 Cc1ccc2c(c1)nc(o2)N 1P00EDFR [0,1,0,1,0,0|2,0,0]=4 4855 B12R2.606 Cc1ccc2c(c1)oc(=O)[nH]2 1P00BIU0 [0,1,0,1,0,0|1,0,0]=3 4856 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl 1P00CKWV [0,1,0,1,0,0|2,0,0]=4 4857 B12R2.606 Cc1ccc2c(c1)oc(n2)N 1P002H5B [0,1,0,1,0,0|2,0,0]=4 4858 B12R2.606 Cc1ccc2c(c1)oc(n2)S 1P00BK8R [0,1,0,1,0,0|1,1,0]=4 4859 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 1P00DCEH [0,1,0,1,0,0|1,1,0]=4 4860 B12R2.606 Cc1ccc2c(n1)[nH]c(=O)o2 1P00DL71 [0,1,0,1,0,0|2,0,0]=4 4861 B12R2.606 Clc1cc2CC(=O)Nc2nc1 1P000I2W [0,1,0,1,0,0|2,0,0]=4 4862 B12R2.606 Clc1cc2NC(=O)Cc2nc1 1P0012ZI [0,1,0,1,0,0|2,0,0]=4 4863 B12R2.606 Clc1cc2oc(=O)[nH]c2nc1 1P00CLMS [0,1,0,1,0,0|2,0,0]=4 4864 B12R2.606 Clc1ccc2c(c1)CC(=N2)N 1P01BRHC [0,1,0,1,0,0|2,0,0]=4 4865 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)[nH]2 1P0029CC [0,1,0,1,0,0|2,0,0]=4 4866 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)o2 1P0034PS [0,1,0,1,0,0|1,0,0]=3 4867 B12R2.606 Clc1ccc2c(c1)[nH]c(=O)s2 1P002AXE [0,1,0,1,0,0|1,1,0]=4 4868 B12R2.606 Clc1ccc2c(c1)[nH]c(=S)o2 1P00BC1Q [0,1,0,1,0,0|1,1,0]=4 4869 B12R2.606 Clc1ccc2c(c1)nc(o2)C 1P002G6P [0,1,0,1,0,0|2,0,0]=4 4870 B12R2.606 Clc1ccc2c(c1)nc(o2)Cl 1P0038EY [0,1,0,1,0,0|2,0,0]=4 4871 B12R2.606 Clc1ccc2c(c1)nc(o2)N 1P003N55 [0,1,0,1,0,0|2,0,0]=4 4872 B12R2.606 Clc1ccc2c(c1)oc(=N)[nH]2 1P003GYU [0,1,0,1,0,0|2,0,0]=4 4873 B12R2.606 Clc1ccc2c(c1)oc(=O)[nH]2 1P002CI1 [0,1,0,1,0,0|1,0,0]=3 4874 B12R2.606 Clc1ccc2c(c1)oc(=S)[nH]2 1P006ZZX [0,1,0,1,0,0|1,1,0]=4 4875 B12R2.606 Clc1ccc2c(c1)oc(n2)Br 1P009GSK [0,1,0,1,0,0|2,0,0]=4 4876 B12R2.606 Clc1ccc2c(c1)oc(n2)C 1P00EFZ3 [0,1,0,1,0,0|2,0,0]=4 4877 B12R2.606 Clc1ccc2c(c1)oc(n2)Cl 1P00I7N3 [0,1,0,1,0,0|2,0,0]=4 4878 B12R2.606 Clc1ccc2c(c1)sc(=O)[nH]2 1P00IBGN [0,1,0,1,0,0|1,1,0]=4 4879 B12R2.606 Clc1ccc2c(n1)CC(=O)N2 1P0012ZJ [0,1,0,1,0,0|2,0,0]=4 4880 B12R2.606 Clc1ccc2c(n1)NC(=O)C2 1P003NMT [0,1,0,1,0,0|2,0,0]=4 4881 B12R2.606 Fc1cc2CC(=O)Nc2nc1 1P000I3V [0,1,0,1,0,0|2,0,0]=4 4882 B12R2.606 Fc1cc2NC(=O)Cc2nc1 1P0012ZE [0,1,0,1,0,0|2,0,0]=4 4883 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)[nH]2 1P00ABVX [0,1,0,1,0,0|2,0,0]=4 4884 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)o2 1P003N89 [0,1,0,1,0,0|1,0,0]=3 4885 B12R2.606 Fc1ccc2c(c1)[nH]c(=O)s2 1P007CUA [0,1,0,1,0,0|1,1,0]=4 4886 B12R2.606 Fc1ccc2c(c1)cc(o2)Br 1P01T62V [0,1,0,1,0,0|1,0,1]=4 4887 B12R2.606 Fc1ccc2c(c1)nc(o2)Br 1P0289UF [0,1,0,1,0,0|2,0,0]=4 4888 B12R2.606 Fc1ccc2c(c1)nc(o2)C 1P003N7T [0,1,0,1,0,0|2,0,0]=4 4889 B12R2.606 Fc1ccc2c(c1)nc(o2)Cl 1P009I2W [0,1,0,1,0,0|2,0,0]=4 4890 B12R2.606 Fc1ccc2c(c1)nc(o2)N 1P001YE9 [0,1,0,1,0,0|2,0,0]=4 4891 B12R2.606 Fc1ccc2c(c1)nc(o2)S 1P007MMJ [0,1,0,1,0,0|1,1,0]=4 4892 B12R2.606 Fc1ccc2c(c1)oc(=O)[nH]2 1P002Y9R [0,1,0,1,0,0|1,0,0]=3 4893 B12R2.606 Fc1ccc2c(c1)oc(n2)Cl 1P00AMFY [0,1,0,1,0,0|2,0,0]=4 4894 B12R2.606 Fc1ccc2c(c1)oc(n2)N 1P0077YJ [0,1,0,1,0,0|2,0,0]=4 4895 B12R2.606 Fc1ccc2c(c1)oc(n2)S 1P00ATGJ [0,1,0,1,0,0|1,1,0]=4 4896 B12R2.606 Fc1ccc2c(c1)sc(=O)[nH]2 1P00EDK1 [0,1,0,1,0,0|1,1,0]=4 4897 B12R2.606 Fc1ccc2c(n1)NC(=O)C2 1P000IIU [0,1,0,1,0,0|2,0,0]=4 4898 B12R2.606 Ic1cc2CC(=O)Nc2nc1 1P000BU9 [0,1,0,1,0,0|2,0,0]=4 4899 B12R2.606 Ic1cc2NC(=O)Cc2nc1 1P000R9R [0,1,0,1,0,0|2,0,0]=4 4900 B12R2.606 Ic1ccc2c(c1)[nH]c(=O)[nH]2 1P00397U [0,1,0,1,0,0|2,0,0]=4 4901 B12R2.606 Ic1ccc2c(c1)cc(o2)C 1P00EDQS [0,1,0,1,0,0|1,0,1]=4 4902 B12R2.606 Ic1ccc2c(c1)oc(=O)[nH]2 1P00ABVG [0,1,0,1,0,0|1,0,0]=3 4903 B12R2.606 Ic1ccc2c(c1)oc(n2)N 1P0022FX [0,1,0,1,0,0|2,0,0]=4 4904 B12R2.606 Nc1cc2CC(=O)Nc2nc1 1P00GUFX [0,1,0,1,0,0|2,0,0]=4 4905 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)[nH]2 1P003MT5 [0,1,0,1,0,0|2,0,0]=4 4906 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)o2 1P001FAO [0,1,0,1,0,0|1,0,0]=3 4907 B12R2.606 Nc1ccc2c(c1)[nH]c(=O)s2 1P00CWZI [0,1,0,1,0,0|1,1,0]=4 4908 B12R2.606 Nc1ccc2c(c1)[nH]c(=S)o2 1P006WRC [0,1,0,1,0,0|1,1,0]=4 4909 B12R2.606 Nc1ccc2c(c1)cc(o2)C 1P00BXOQ [0,1,0,1,0,0|1,0,1]=4 4910 B12R2.606 Nc1ccc2c(c1)cc(o2)Cl 1P028KJX [0,1,0,1,0,0|1,0,1]=4 4911 B12R2.606 Nc1ccc2c(c1)nc(o2)C 1P00FB8Z [0,1,0,1,0,0|2,0,0]=4 4912 B12R2.606 Nc1ccc2c(c1)nc(o2)N 1P00ELCM [0,1,0,1,0,0|2,0,0]=4 4913 B12R2.606 Nc1ccc2c(c1)oc(=O)[nH]2 1P00380Q [0,1,0,1,0,0|1,0,0]=3 4914 B12R2.606 Nc1ccc2c(c1)oc(n2)C 1P00ECG8 [0,1,0,1,0,0|2,0,0]=4 4915 B12R2.606 Nc1ccc2c(c1)oc(n2)S 1P007274 [0,1,0,1,0,0|1,1,0]=4 4916 B12R2.606 Nc1ccc2c(c1)sc(=O)[nH]2 1P0034S7 [0,1,0,1,0,0|1,1,0]=4 4917 B12R2.606 O=C1Cc2c(C1)cc(cc2)Br 1P00202B [0,1,0,1,0,0|1,0,0]=3 4918 B12R2.606 O=C1Cc2c(C1)cc(cc2)Cl 1P00375N [0,1,0,1,0,0|1,0,0]=3 4919 B12R2.606 O=C1Cc2c(C1)cc(cc2)F 1P00IAPW [0,1,0,1,0,0|1,0,0]=3 4920 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br 1P0034T4 [0,1,0,1,0,0|1,0,0]=3 4921 B12R2.606 O=C1Cc2c(N1)cc(cc2)C 1P0034U2 [0,1,0,1,0,0|1,0,0]=3 4922 B12R2.606 O=C1Cc2c(N1)cc(cc2)Cl 1P00393R [0,1,0,1,0,0|1,0,0]=3 4923 B12R2.606 O=C1Cc2c(N1)cc(cc2)F 1P00IAJ0 [0,1,0,1,0,0|1,0,0]=3 4924 B12R2.606 O=C1Cc2c(N1)cc(cc2)I 1P00692G [0,1,0,1,0,0|1,0,0]=3 4925 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P001N5X [0,1,0,1,0,0|1,0,0]=3 4926 B12R2.606 O=C1Cc2c(N1)cc(cc2)N 1P00J3GW [0,1,0,1,0,0|1,0,0]=3 4927 B12R2.606 O=C1Cc2c(N1)cc(cc2)O 1P00639Z [0,1,0,1,0,0|1,0,0]=3 4928 B12R2.606 O=C1Cc2c(N1)cc(nc2)Cl 1P00010V [0,1,0,1,0,0|2,0,0]=4 4929 B12R2.606 O=C1Cc2c(O1)cc(cc2)Br 1P01XC20 [0,1,0,1,0,0|0,0,0]=2 4930 B12R2.606 O=C1Nc2c(C1)cc(cc2)Br 1P002KBD [0,1,0,1,0,0|1,0,0]=3 4931 B12R2.606 O=C1Nc2c(C1)cc(cc2)C 1P00BYK5 [0,1,0,1,0,0|1,0,0]=3 4932 B12R2.606 O=C1Nc2c(C1)cc(cc2)Cl 1P00250P [0,1,0,1,0,0|1,0,0]=3 4933 B12R2.606 O=C1Nc2c(C1)cc(cc2)F 1P0034QH [0,1,0,1,0,0|1,0,0]=3 4934 B12R2.606 O=C1Nc2c(C1)cc(cc2)I 1P00ABW0 [0,1,0,1,0,0|1,0,0]=3 4935 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P002KBR [0,1,0,1,0,0|1,0,0]=3 4936 B12R2.606 O=C1Nc2c(C1)cc(cc2)N 1P00940X [0,1,0,1,0,0|1,0,0]=3 4937 B12R2.606 O=C1Nc2c(C1)cc(cc2)O 1P003845 [0,1,0,1,0,0|1,0,0]=3 4938 B12R2.606 O=C1Nc2c(C1)cc(cc2)S 1P019M1C [0,1,0,1,0,0|1,0,0]=3 4939 B12R2.606 O=C1Nc2c(C1)cc(nc2)Br 1P00162Q [0,1,0,1,0,0|2,0,0]=4 4940 B12R2.606 O=C1Nc2c(C1)cc(nc2)Cl 1P0012ZH [0,1,0,1,0,0|2,0,0]=4 4941 B12R2.606 O=C1Oc2c(C1)cc(cc2)Br 1P001X5M [0,1,0,1,0,0|0,0,0]=2 4942 B12R2.606 O=C1Oc2c(C1)cc(cc2)Cl 1P00CF33 [0,1,0,1,0,0|0,0,0]=2 4943 B12R2.606 O=C1Oc2c(C1)cc(cc2)F 1P01EFDD [0,1,0,1,0,0|0,0,0]=2 4944 B12R2.606 O=C1Oc2c(C1)cc(cc2)N 1P00G9WN [0,1,0,1,0,0|0,0,0]=2 4945 B12R2.606 O=C1Oc2c(C1)cc(cc2)O 1P003N97 [0,1,0,1,0,0|0,0,0]=2 4946 B12R2.606 OC1Cc2c(C1)cc(cc2)Br 1P008FK4 [0,1,0,1,0,0|1,0,1]=4 4947 B12R2.606 OC1Cc2c(C1)cc(cc2)F 1P01DXC0 [0,1,0,1,0,0|1,0,1]=4 4948 B12R2.606 OC1Cc2c(C1)cc(cc2)O 1P01DWXJ [0,1,0,1,0,0|1,0,1]=4 4949 B12R2.606 Oc1cc2CC(=O)Nc2nc1 1P000IIO [0,1,0,1,0,0|2,0,0]=4 4950 B12R2.606 Oc1ccc2c(c1)[nH]c(=O)[nH]2 1P00CNAU [0,1,0,1,0,0|2,0,0]=4 4951 B12R2.606 Oc1ccc2c(c1)[nH]c(=O)o2 1P00DJVS [0,1,0,1,0,0|1,0,0]=3 4952 B12R2.606 Oc1ccc2c(c1)nc(o2)C 1P00BK63 [0,1,0,1,0,0|2,0,0]=4 4953 B12R2.606 Oc1ccc2c(c1)nc(o2)Cl 1P01S95Y [0,1,0,1,0,0|2,0,0]=4 4954 B12R2.606 Oc1ccc2c(c1)oc(=O)[nH]2 1P005O1C [0,1,0,1,0,0|1,0,0]=3 4955 B12R2.606 Oc1ccc2c(c1)oc(=O)o2 1P00GCV0 [0,1,0,1,0,0|1,0,0]=3 4956 B12R2.606 Oc1ccc2c(c1)oc(=O)s2 1P003NPA [0,1,0,1,0,0|1,0,0]=3 4957 B12R2.606 Oc1ccc2c(c1)oc(c2)C 1P00DIEY [0,1,0,1,0,0|1,0,1]=4 4958 B12R2.606 Oc1ccc2c(c1)oc(n2)C 1P00DDHE [0,1,0,1,0,0|2,0,0]=4 4959 B12R2.606 Oc1ccc2c(c1)sc(=N)o2 1P01BILN [0,1,0,1,0,0|2,0,0]=4 4960 B12R2.606 Oc1ccc2c(c1)sc(=O)o2 1P0054F7 [0,1,0,1,0,0|1,0,0]=3 4961 B12R2.18 Brc1c(C)oc2c1cccc2 1P00EPBB [0,1,0,1,0,0|1,0,1]=4 4962 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,1,0,1,0,0|1,0,1]=4 4963 B12R2.18 Cc1c(C)oc2c1cccc2 1P00BYVJ [0,1,0,1,0,0|1,0,1]=4 4964 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 1P0038CR [0,1,0,1,0,0|2,0,0]=4 4965 B12R2.18 Cn1c(=O)oc2c1cccc2 1P003K5Q [0,1,0,1,0,0|1,0,0]=3 4966 B12R2.18 Cn1c(=S)oc2c1cccc2 1P00710J [0,1,0,1,0,0|1,1,0]=4 4967 B12R2.18 Cn1c(O)cc2c1cccc2 1P00GWBZ [0,1,0,1,0,0|1,0,1]=4 4968 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [0,1,0,1,0,0|1,0,1]=4 4969 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [0,1,0,1,0,0|1,0,1]=4 4970 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [0,1,0,1,0,0|1,0,1]=4 4971 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [0,1,0,1,0,0|1,0,1]=4 4972 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [0,1,0,1,0,0|1,0,1]=4 4973 B12R2.18 Nn1c(=O)[nH]c2c1cccc2 1P0008EC [0,1,0,1,0,0|2,0,0]=4 4974 B12R2.18 O=C1C(=O)Cc2c1cccc2 1P001T94 [0,1,0,1,0,0|0,0,1]=3 4975 B12R2.18 O=C1C(=O)Nc2c1cccc2 1P003RIR [0,1,0,1,0,0|1,0,1]=4 4976 B12R2.18 O=C1C(=O)Oc2c1cccc2 1P003OIQ [0,1,0,1,0,0|0,0,1]=3 4977 B12R2.18 O=C1C(=O)Sc2c1cccc2 1P00714N [0,1,0,1,0,0|0,1,1]=4 4978 B12R2.18 O=C1C(Br)Cc2c1cccc2 1P0025TP [0,1,0,1,0,0|1,0,1]=4 4979 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,1,0,1,0,0|1,0,1]=4 4980 B12R2.18 O=C1C(Cl)Cc2c1cccc2 1P00B2LH [0,1,0,1,0,0|1,0,1]=4 4981 B12R2.18 O=C1C(F)Cc2c1cccc2 1P00FGGF [0,1,0,1,0,0|1,0,1]=4 4982 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [0,1,0,1,0,0|1,0,1]=4 4983 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,1,0,1,0,0|1,0,0]=3 4984 B12R2.18 O=C1Cc2c(C1N)cccc2 1P0286XU [0,1,0,1,0,0|1,0,0]=3 4985 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,1,0,1,0,0|1,0,0]=3 4986 B12R2.18 O=C1Cc2c(N1C)cncc2 1P00B3BG [0,1,0,1,0,0|2,0,0]=4 4987 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,1,0,1,0,0|2,0,0]=4 4988 B12R2.18 O=C1N(N)Cc2c1cccc2 1P01A66S [0,1,0,1,0,0|2,0,0]=4 4989 B12R2.18 O=C1Nc2c(C1Br)cccc2 1P002M2M [0,1,0,1,0,0|1,0,0]=3 4990 B12R2.18 O=C1Nc2c(C1C)cccc2 1P001N1S [0,1,0,1,0,0|1,0,0]=3 4991 B12R2.18 O=C1Nc2c(C1C)cccn2 1P0011YY [0,1,0,1,0,0|2,0,0]=4 4992 B12R2.18 O=C1Nc2c(C1Cl)cccc2 1P006DIR [0,1,0,1,0,0|1,0,0]=3 4993 B12R2.18 O=C1Nc2c(C1N)cccc2 1P00J1R7 [0,1,0,1,0,0|1,0,0]=3 4994 B12R2.18 O=C1Nc2c(C1O)cccc2 1P00EZKX [0,1,0,1,0,0|1,0,0]=3 4995 B12R2.18 O=c1oc2c(c1C)ccoc2 1P004Q5T [0,1,0,1,0,0|1,0,1]=4 4996 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [0,1,0,1,0,0|1,0,1]=4 4997 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [0,1,0,1,0,0|1,0,1]=4 4998 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [0,1,0,1,0,0|1,0,1]=4 4999 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [0,1,0,1,0,0|1,0,1]=4 5000 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [0,1,0,1,0,0|1,0,1]=4 5001 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [0,1,0,1,0,0|1,0,1]=4 5002 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [0,1,0,1,0,0|1,0,1]=4 5003 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [0,1,0,1,0,0|1,0,1]=4 5004 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [0,1,0,1,0,0|1,0,1]=4 5005 B12R2.18 On1c(=O)[nH]c2c1cccc2 1P00DX1I [0,1,0,1,0,0|1,0,0]=3 5006 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,1,0,1,0,0|1,0,1]=4 5007 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,1,0,1,0,0|1,0,0]=3 5008 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [0,1,0,1,0,0|2,0,0]=4 5009 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,1,0,1,0,0|0,0,0]=2 5010 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,1,0,1,0,0|1,0,1]=4 5011 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,1,0,1,0,0|0,0,2]=4 5012 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [0,1,0,1,0,0|1,0,1]=4 5013 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,1,0,1,0,0|1,0,1]=4 5014 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,1,0,1,0,0|1,0,1]=4 5015 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,1,0,1,0,0|0,0,2]=4 5016 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,1,0,1,0,0|1,0,1]=4 5017 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,1,0,1,0,0|1,0,1]=4 5018 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,1,0,1,0,0|1,0,1]=4 5019 B12R2.32 BrCc1cc2c(o1)cccc2 1P00CJZ1 [0,1,0,1,0,0|1,0,1]=4 5020 B12R2.32 BrCc1nc2c(o1)cccc2 1P005MS4 [0,1,0,1,0,0|2,0,0]=4 5021 B12R2.32 C#Cc1cc2c(o1)cccc2 1P0076MA [0,1,0,1,0,0|1,0,1]=4 5022 B12R2.32 CCc1cc2c(o1)cccc2 1P0039OG [0,1,0,1,0,0|1,0,1]=4 5023 B12R2.32 CCc1nc2c(o1)cccc2 1P00624E [0,1,0,1,0,0|2,0,0]=4 5024 B12R2.32 CNc1nc2c(o1)cccc2 1P002BGI [0,1,0,1,0,0|2,0,0]=4 5025 B12R2.32 COc1cc2c([nH]1)cccc2 1P01KL3V [0,1,0,1,0,0|1,0,1]=4 5026 B12R2.32 CSc1nc2c(o1)cccc2 1P00HV5A [0,1,0,1,0,0|1,1,0]=4 5027 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,1,0,1,0,0|1,0,1]=4 5028 B12R2.32 ClCc1cc2c(o1)cccc2 1P00CMGU [0,1,0,1,0,0|1,0,1]=4 5029 B12R2.32 ClCc1nc2c(o1)cccc2 1P00BZYN [0,1,0,1,0,0|2,0,0]=4 5030 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,1,0,1,0,0|1,0,1]=4 5031 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,1,0,1,0,0|1,0,1]=4 5032 B12R2.32 N#Cc1cc2c(o1)cccc2 1P00CAB1 [0,1,0,1,0,0|1,0,1]=4 5033 B12R2.32 N#Cc1nc2c(o1)cccc2 1P00CZYI [0,1,0,1,0,0|2,0,0]=4 5034 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,1,0,1,0,0|1,0,1]=4 5035 B12R2.32 NCc1cc2c(o1)cccc2 1P00C9A2 [0,1,0,1,0,0|1,0,1]=4 5036 B12R2.32 NCc1cc2c(o1)cccc2 1P00GCLW [0,1,0,1,0,0|1,0,1]=4 5037 B12R2.32 NCc1nc2c(o1)cccc2 1P008ULJ [0,1,0,1,0,0|2,0,0]=4 5038 B12R2.32 NNc1nc2c(o1)cccc2 1P001N98 [0,1,0,1,0,0|2,0,0]=4 5039 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,1,0,1,0,0|1,0,1]=4 5040 B12R2.32 O=CN1Cc2c(C1)cccc2 1P00CXYD [0,1,0,1,0,0|2,0,0]=4 5041 B12R2.32 O=Cc1cc2c([nH]1)cccc2 1P002EQW [0,1,0,1,0,0|1,0,1]=4 5042 B12R2.32 O=Cc1cc2c(o1)cccc2 1P003OI7 [0,1,0,1,0,0|0,0,1]=3 5043 B12R2.32 O=Cc1cc2c(o1)cccn2 1P007TYY [0,1,0,1,0,0|1,0,1]=4 5044 B12R2.32 O=Cc1cc2c(o1)ccnc2 1P007TYX [0,1,0,1,0,0|1,0,1]=4 5045 B12R2.32 O=Cc1cc2c(o1)cncc2 1P007BQX [0,1,0,1,0,0|1,0,1]=4 5046 B12R2.32 O=Cc1cc2c(o1)nccc2 1P007BIB [0,1,0,1,0,0|1,0,1]=4 5047 B12R2.32 O=Cc1cc2c(s1)cccc2 1P00C0XI [0,1,0,1,0,0|0,1,1]=4 5048 B12R2.32 O=Cc1nc2c([nH]1)cccc2 1P00BY2Z [0,1,0,1,0,0|2,0,0]=4 5049 B12R2.32 O=Cc1nc2c(o1)cccc2 1P00EAVR [0,1,0,1,0,0|1,0,0]=3 5050 B12R2.32 O=Cc1nc2c(s1)cccc2 1P00FB9B [0,1,0,1,0,0|1,1,0]=4 5051 B12R2.32 O=NN1Cc2c(C1)cccc2 1P0284Q1 [0,1,0,1,0,0|2,0,0]=4 5052 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [0,1,0,1,0,0|1,0,1]=4 5053 B12R2.32 OCC1Cc2c(N1)cccc2 1P001AEN [0,1,0,1,0,0|1,0,1]=4 5054 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,1,0,1,0,0|0,0,2]=4 5055 B12R2.32 OC[C@@H]1Cc2c(N1)cccc2 1P002US1 [0,1,0,1,0,0|1,0,1]=4 5056 B12R2.32 OC[C@H]1Cc2c(N1)cccc2 1P00ID99 [0,1,0,1,0,0|1,0,1]=4 5057 B12R2.32 OCc1cc2c([nH]1)cccc2 1P002PAK [0,1,0,1,0,0|1,0,1]=4 5058 B12R2.32 OCc1cc2c(o1)cccc2 1P00IAAH [0,1,0,1,0,0|0,0,2]=4 5059 B12R2.32 OCc1cc2c(s1)cccc2 1P0026XG [0,1,0,1,0,0|0,1,1]=4 5060 B12R2.32 OCc1nc2c([nH]1)cccc2 1P003EU1 [0,1,0,1,0,0|2,0,0]=4 5061 B12R2.32 OCc1nc2c(o1)cccc2 1P005PLR [0,1,0,1,0,0|1,0,1]=4 5062 B12R2.32 OCc1nc2c(s1)cccc2 1P00BY2X [0,1,0,1,0,0|1,1,0]=4 5063 B12R2.32 ON=C1Cc2c(C1)cccc2 1P003HWV [0,1,0,1,0,0|1,0,0]=3 5064 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [0,1,0,1,0,0|1,0,1]=4 5065 B12R2.95 CC1(C)Cc2c(O1)cccc2 1P00EA0R [0,1,0,1,0,0|1,0,1]=4 5066 B12R2.95 CP1(=O)Cc2c(N1)cccc2 1P01IUPX [0,1,0,1,0,0|2,0,0]=4 5067 B12R2.95 O=S1(=O)Cc2c(C1)cccc2 1P002PM5 [0,1,0,1,0,0|1,0,1]=4 5068 B12R2.95 O=S1(=O)Cc2c(N1)cccc2 1P007TSN [0,1,0,1,0,0|1,0,1]=4 5069 B12R2.95 O=S1(=O)Oc2c(O1)cccc2 1P0075UW [0,1,0,1,0,0|2,0,0]=4 5070 B12R2.202 Brc1oc2c(n1)c(F)ccc2 1P01DVWT [0,1,0,1,0,0|2,0,0]=4 5071 B12R2.202 CC1=Cc2c(C1)c(Br)ccc2 1P004IKJ [0,1,0,1,0,0|2,0,0]=4 5072 B12R2.202 CC1Cc2c(O1)c(Br)ccc2 1P01BKVB [0,1,0,1,0,0|1,0,1]=4 5073 B12R2.202 CC1Cc2c(O1)c(Cl)ccc2 1P01AIYG [0,1,0,1,0,0|1,0,1]=4 5074 B12R2.202 CC1Cc2c(O1)c(N)ccc2 1P002SRN [0,1,0,1,0,0|1,0,1]=4 5075 B12R2.202 Cc1cc2c(o1)c(Br)ccc2 1P00IAPR [0,1,0,1,0,0|1,0,1]=4 5076 B12R2.202 Cc1cc2c(o1)c(N)ccc2 1P00J1VE [0,1,0,1,0,0|1,0,1]=4 5077 B12R2.202 Cc1cc2c(o1)c(O)ccc2 1P024Z0L [0,1,0,1,0,0|1,0,1]=4 5078 B12R2.202 Cc1nc2c(o1)c(Br)ccc2 1P000LPN [0,1,0,1,0,0|2,0,0]=4 5079 B12R2.202 Cc1nc2c(o1)c(Cl)ccc2 1P01DDRR [0,1,0,1,0,0|2,0,0]=4 5080 B12R2.202 Cc1nc2c(o1)cccc2C 1P003GB1 [0,1,0,1,0,0|2,0,0]=4 5081 B12R2.202 Cc1oc2c(c1)c(Br)ccc2 1P01BDGU [0,1,0,1,0,0|1,0,1]=4 5082 B12R2.202 Cc1oc2c(n1)c(Br)ccc2 1P00BIW6 [0,1,0,1,0,0|2,0,0]=4 5083 B12R2.202 Cc1oc2c(n1)c(F)ccc2 1P01DDFL [0,1,0,1,0,0|2,0,0]=4 5084 B12R2.202 Cc1oc2c(n1)c(N)ccc2 1P003AOK [0,1,0,1,0,0|2,0,0]=4 5085 B12R2.202 Cc1oc2c(n1)c(O)ccc2 1P01AGK0 [0,1,0,1,0,0|2,0,0]=4 5086 B12R2.202 Clc1nc2c(o1)c(Br)ccc2 1P0096BI [0,1,0,1,0,0|2,0,0]=4 5087 B12R2.202 Clc1nc2c(o1)c(C)ccc2 1P01AV34 [0,1,0,1,0,0|2,0,0]=4 5088 B12R2.202 Clc1oc2c(n1)c(Br)ccc2 1P000V07 [0,1,0,1,0,0|2,0,0]=4 5089 B12R2.202 Clc1oc2c(n1)c(C)ccc2 1P009220 [0,1,0,1,0,0|2,0,0]=4 5090 B12R2.202 Clc1oc2c(n1)c(F)ccc2 1P000CMJ [0,1,0,1,0,0|2,0,0]=4 5091 B12R2.202 Clc1oc2c(n1)cccc2Cl 1P01BJ00 [0,1,0,1,0,0|2,0,0]=4 5092 B12R2.202 Ic1cc2c(o1)c(Br)ccc2 1P027Y5M [0,1,0,1,0,0|1,0,1]=4 5093 B12R2.202 Nc1nc2c(o1)c(Br)ccc2 1P0096AQ [0,1,0,1,0,0|2,0,0]=4 5094 B12R2.202 Nc1nc2c(o1)c(C)ccc2 1P00HS1N [0,1,0,1,0,0|2,0,0]=4 5095 B12R2.202 Nc1nc2c(o1)c(Cl)ccc2 1P00EEKB [0,1,0,1,0,0|2,0,0]=4 5096 B12R2.202 Nc1nc2c(o1)c(F)ccc2 1P00HS0J [0,1,0,1,0,0|2,0,0]=4 5097 B12R2.202 Nc1oc2c(n1)c(Br)ccc2 1P0022NV [0,1,0,1,0,0|2,0,0]=4 5098 B12R2.202 Nc1oc2c(n1)c(C)ccc2 1P00IIYX [0,1,0,1,0,0|2,0,0]=4 5099 B12R2.202 Nc1oc2c(n1)c(F)ccc2 1P00I0M0 [0,1,0,1,0,0|2,0,0]=4 5100 B12R2.202 Nc1oc2c(n1)c(O)ccc2 1P00IKL6 [0,1,0,1,0,0|2,0,0]=4 5101 B12R2.202 O=C1C=c2c(=N1)c(C)ccc2 1P0078DY [0,1,0,1,0,0|1,0,1]=4 5102 B12R2.202 O=C1Cc2c(C1)cccc2Br 1P0038V7 [0,1,0,1,0,0|1,0,0]=3 5103 B12R2.202 O=C1Cc2c(C1)cccc2Cl 1P0036Z2 [0,1,0,1,0,0|1,0,0]=3 5104 B12R2.202 O=C1Cc2c(C1)cccc2F 1P008UUM [0,1,0,1,0,0|1,0,0]=3 5105 B12R2.202 O=C1Cc2c(N1)c(Br)ccc2 1P0037U6 [0,1,0,1,0,0|1,0,0]=3 5106 B12R2.202 O=C1Cc2c(N1)c(Br)ccn2 1P000PM0 [0,1,0,1,0,0|2,0,0]=4 5107 B12R2.202 O=C1Cc2c(N1)c(Br)cnc2 1P0026U2 [0,1,0,1,0,0|2,0,0]=4 5108 B12R2.202 O=C1Cc2c(N1)c(Br)ncc2 1P000I9L [0,1,0,1,0,0|2,0,0]=4 5109 B12R2.202 O=C1Cc2c(N1)c(C)ccn2 1P00DGP6 [0,1,0,1,0,0|2,0,0]=4 5110 B12R2.202 O=C1Cc2c(N1)c(Cl)ccc2 1P006VKK [0,1,0,1,0,0|1,0,0]=3 5111 B12R2.202 O=C1Cc2c(N1)c(Cl)ccn2 1P000PLW [0,1,0,1,0,0|2,0,0]=4 5112 B12R2.202 O=C1Cc2c(N1)c(Cl)ncc2 1P0026FW [0,1,0,1,0,0|2,0,0]=4 5113 B12R2.202 O=C1Cc2c(N1)c(F)ccc2 1P0034V0 [0,1,0,1,0,0|1,0,0]=3 5114 B12R2.202 O=C1Cc2c(N1)c(N)ccc2 1P007NUN [0,1,0,1,0,0|1,0,0]=3 5115 B12R2.202 O=C1Cc2c(O1)c(Br)ccc2 1P0290AL [0,1,0,1,0,0|0,0,0]=2 5116 B12R2.202 O=C1Cc2c(O1)c(Cl)ccc2 1P0286FY [0,1,0,1,0,0|0,0,0]=2 5117 B12R2.202 O=C1Nc2c(C1)c(Br)ccc2 1P0034F9 [0,1,0,1,0,0|1,0,0]=3 5118 B12R2.202 O=C1Nc2c(C1)c(Br)ccn2 1P007CN3 [0,1,0,1,0,0|2,0,0]=4 5119 B12R2.202 O=C1Nc2c(C1)c(Br)cnc2 1P000I9Q [0,1,0,1,0,0|2,0,0]=4 5120 B12R2.202 O=C1Nc2c(C1)c(Br)ncc2 1P009MDW [0,1,0,1,0,0|2,0,0]=4 5121 B12R2.202 O=C1Nc2c(C1)c(C)ccc2 1P0010TH [0,1,0,1,0,0|1,0,0]=3 5122 B12R2.202 O=C1Nc2c(C1)c(C)ccn2 1P000IJO [0,1,0,1,0,0|2,0,0]=4 5123 B12R2.202 O=C1Nc2c(C1)c(Cl)ccc2 1P002KBE [0,1,0,1,0,0|1,0,0]=3 5124 B12R2.202 O=C1Nc2c(C1)c(Cl)ccn2 1P003LIO [0,1,0,1,0,0|2,0,0]=4 5125 B12R2.202 O=C1Nc2c(C1)c(Cl)ncc2 1P000I1T [0,1,0,1,0,0|2,0,0]=4 5126 B12R2.202 O=C1Nc2c(C1)c(F)ccc2 1P00191Z [0,1,0,1,0,0|1,0,0]=3 5127 B12R2.202 O=C1Nc2c(C1)c(F)ccn2 1P00H96Z [0,1,0,1,0,0|2,0,0]=4 5128 B12R2.202 O=C1Nc2c(C1)c(I)ccc2 1P0027IT [0,1,0,1,0,0|1,0,0]=3 5129 B12R2.202 O=C1Nc2c(C1)c(I)ccn2 1P000IH8 [0,1,0,1,0,0|2,0,0]=4 5130 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P00DGLJ [0,1,0,1,0,0|1,0,0]=3 5131 B12R2.202 O=C1Nc2c(C1)c(N)ccc2 1P028EB4 [0,1,0,1,0,0|1,0,0]=3 5132 B12R2.202 O=C1Nc2c(C1)c(O)ccc2 1P0071F2 [0,1,0,1,0,0|1,0,0]=3 5133 B12R2.202 O=C1Nc2c(C1)c(O)ccn2 1P000HY0 [0,1,0,1,0,0|2,0,0]=4 5134 B12R2.202 O=C1Oc2c(C1)c(Br)ccc2 1P0202LA [0,1,0,1,0,0|0,0,0]=2 5135 B12R2.202 O=c1[nH]c2c([nH]1)cccc2Br 1P00CNEO [0,1,0,1,0,0|2,0,0]=4 5136 B12R2.202 O=c1[nH]c2c([nH]1)cccc2C 1P002G0O [0,1,0,1,0,0|2,0,0]=4 5137 B12R2.202 O=c1[nH]c2c([nH]1)cccc2F 1P00BJ2J [0,1,0,1,0,0|2,0,0]=4 5138 B12R2.202 O=c1[nH]c2c([nH]1)cccc2N 1P005YGQ [0,1,0,1,0,0|2,0,0]=4 5139 B12R2.202 O=c1[nH]c2c([nH]1)cccc2O 1P00FGYI [0,1,0,1,0,0|2,0,0]=4 5140 B12R2.202 O=c1oc2c([nH]1)c(Br)ccc2 1P01E9LU [0,1,0,1,0,0|1,0,0]=3 5141 B12R2.202 O=c1oc2c([nH]1)c(F)ccc2 1P00ELTP [0,1,0,1,0,0|1,0,0]=3 5142 B12R2.202 O=c1oc2c([nH]1)c(N)ccc2 1P005HGW [0,1,0,1,0,0|1,0,0]=3 5143 B12R2.202 O=c1oc2c([nH]1)c(O)ccc2 1P002VG9 [0,1,0,1,0,0|1,0,0]=3 5144 B12R2.202 O=c1oc2c([nH]1)cccc2Br 1P0036TT [0,1,0,1,0,0|1,0,0]=3 5145 B12R2.202 O=c1oc2c([nH]1)cccc2C 1P0074EM [0,1,0,1,0,0|1,0,0]=3 5146 B12R2.202 O=c1oc2c([nH]1)cccc2F 1P00DLSK [0,1,0,1,0,0|1,0,0]=3 5147 B12R2.202 O=c1oc2c([nH]1)cccc2N 1P005LV5 [0,1,0,1,0,0|1,0,0]=3 5148 B12R2.202 O=c1sc2c([nH]1)c(C)ccc2 1P005EH4 [0,1,0,1,0,0|1,1,0]=4 5149 B12R2.202 O=c1sc2c([nH]1)c(Cl)ccc2 1P00BXS8 [0,1,0,1,0,0|1,1,0]=4 5150 B12R2.202 O=c1sc2c([nH]1)c(F)ccc2 1P00EDK2 [0,1,0,1,0,0|1,1,0]=4 5151 B12R2.202 O=c1sc2c([nH]1)cccc2Br 1P007Q16 [0,1,0,1,0,0|1,1,0]=4 5152 B12R2.202 O=c1sc2c([nH]1)cccc2C 1P00GRC6 [0,1,0,1,0,0|1,1,0]=4 5153 B12R2.202 O=c1sc2c([nH]1)cccc2Cl 1P00G5H4 [0,1,0,1,0,0|1,1,0]=4 5154 B12R2.202 O=c1sc2c([nH]1)cccc2F 1P01ANR8 [0,1,0,1,0,0|1,1,0]=4 5155 B12R2.202 OC1Cc2c(C1)cccc2Br 1P000NP6 [0,1,0,1,0,0|1,0,1]=4 5156 B12R2.202 OC1Cc2c(C1)cccc2Cl 1P0289SC [0,1,0,1,0,0|1,0,1]=4 5157 B12R2.202 OC1Cc2c(C1)cccc2N 1P019S09 [0,1,0,1,0,0|1,0,1]=4 5158 B12R2.202 S=c1oc2c([nH]1)c(O)ccc2 1P003LZV [0,1,0,1,0,0|1,1,0]=4 5159 B12R2.202 S=c1oc2c([nH]1)cccc2Br 1P009MCA [0,1,0,1,0,0|1,1,0]=4 5160 B12R2.202 S=c1oc2c([nH]1)cccc2F 1P01DDRS [0,1,0,1,0,0|1,1,0]=4 5161 B12R2.202 Sc1nc2c(o1)c(Cl)ccc2 1P003NUW [0,1,0,1,0,0|1,1,0]=4 5162 B12R2.202 Sc1oc2c(n1)c(C)ccc2 1P00J7L9 [0,1,0,1,0,0|1,1,0]=4 5163 B12R2.202 Sc1oc2c(n1)c(F)ccc2 1P01BF4M [0,1,0,1,0,0|1,1,0]=4 5164 B12R2.1286 Fc1cccc(c1)CC2CO2 1P01BOC8 [0,1,0,1,0,0|1,0,1]=4 5165 B12R3.12 c1ccc2c(c1)C3OC3C2 1P005ULA [0,0,0,2,0,0|1,0,1]=4 5166 B8R1.8 C=CCn1cccc1 1P01ABLC [1,0,0,0,1,0|2,0,0]=4 5167 B8R1.8 O=CCc1cccs1 1P00AD6S [1,0,0,0,1,0|1,0,0]=3 5168 B8R1.8 O=CCc1cscc1 1P000FCN [1,0,0,0,1,0|1,0,0]=3 5169 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,0,0,0,1,0|1,0,1]=4 5170 B8R1.8 OCCc1ccco1 1P00BZB3 [1,0,0,0,1,0|1,0,1]=4 5171 B8R1.8 OCCc1cccs1 1P0033WO [1,0,0,0,1,0|1,0,1]=4 5172 B8R1.8 OCCc1cocc1 1P0037R8 [1,0,0,0,1,0|1,0,1]=4 5173 B8R1.8 OCCc1cscc1 1P0014C9 [1,0,0,0,1,0|1,0,1]=4 5174 B8R1.8 OCCn1cccc1 1P003DBI [1,0,0,0,1,0|1,0,1]=4 5175 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,0,0,0,2,0|1,0,0]=3 5176 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000X4S [0,0,0,0,2,0|1,0,1]=4 5177 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000XD8 [0,0,0,0,2,0|1,0,1]=4 5178 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,0,0,0,2,0|2,0,0]=4 5179 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,0,0,0,2,0|2,0,0]=4 5180 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,0,0,0,2,0|2,0,0]=4 5181 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,0,0,0,2,0|2,0,0]=4 5182 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,0,0,0,2,0|2,0,0]=4 5183 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,0,0,0,2,0|2,0,0]=4 5184 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [0,0,0,0,2,0|2,0,0]=4 5185 B8R1.7 ClC(=O)c1cccs1 1P003BQI [0,0,0,0,2,0|2,0,0]=4 5186 B8R1.7 ClC(=O)c1cocc1 1P002SR8 [0,0,0,0,2,0|2,0,0]=4 5187 B8R1.7 ClC(=O)c1cscc1 1P00IL11 [0,0,0,0,2,0|2,0,0]=4 5188 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [0,0,0,0,2,0|2,0,0]=4 5189 B8R1.7 NC(=O)c1ccco1 1P003HT3 [0,0,0,0,2,0|2,0,0]=4 5190 B8R1.7 NC(=O)c1cocc1 1P00EFS9 [0,0,0,0,2,0|2,0,0]=4 5191 B8R1.7 NC(=O)c1cscc1 1P003V9E [0,0,0,0,2,0|2,0,0]=4 5192 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000X4X [0,0,0,0,2,0|0,0,1]=3 5193 B8R1.7 OC(=O)[C-]1C=CC=C1 1P000ZJ9 [0,0,0,0,2,0|0,0,1]=3 5194 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [0,0,0,0,2,0|1,0,0]=3 5195 B8R1.7 OC(=O)c1c[nH]cn1 1P00338I [0,0,0,0,2,0|2,0,0]=4 5196 B8R1.7 OC(=O)c1c[nH]nc1 1P0034LR [0,0,0,0,2,0|2,0,0]=4 5197 B8R1.7 OC(=O)c1cc[nH]n1 1P001T7R [0,0,0,0,2,0|2,0,0]=4 5198 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [0,0,0,0,2,0|1,0,0]=3 5199 B8R1.7 OC(=O)c1cccs1 1P003IEW [0,0,0,0,2,0|1,0,0]=3 5200 B8R1.7 OC(=O)c1ccn[nH]1 1P008M23 [0,0,0,0,2,0|2,0,0]=4 5201 B8R1.7 OC(=O)c1ccno1 1P003RMK [0,0,0,0,2,0|2,0,0]=4 5202 B8R1.7 OC(=O)c1ccns1 1P0008NL [0,0,0,0,2,0|2,0,0]=4 5203 B8R1.7 OC(=O)c1ccon1 1P0038IR [0,0,0,0,2,0|2,0,0]=4 5204 B8R1.7 OC(=O)c1ccsn1 1P006Z9D [0,0,0,0,2,0|2,0,0]=4 5205 B8R1.7 OC(=O)c1cnco1 1P0038RZ [0,0,0,0,2,0|2,0,0]=4 5206 B8R1.7 OC(=O)c1cncs1 1P001L77 [0,0,0,0,2,0|2,0,0]=4 5207 B8R1.7 OC(=O)c1cocc1 1P00346H [0,0,0,0,2,0|1,0,0]=3 5208 B8R1.7 OC(=O)c1cocn1 1P002MBN [0,0,0,0,2,0|2,0,0]=4 5209 B8R1.7 OC(=O)c1conc1 1P00EAGN [0,0,0,0,2,0|2,0,0]=4 5210 B8R1.7 OC(=O)c1cscc1 1P00348Y [0,0,0,0,2,0|1,0,0]=3 5211 B8R1.7 OC(=O)c1cscn1 1P003MJ5 [0,0,0,0,2,0|2,0,0]=4 5212 B8R1.7 OC(=O)c1csnc1 1P0050GK [0,0,0,0,2,0|2,0,0]=4 5213 B8R1.7 OC(=O)c1ncc[nH]1 1P00338H [0,0,0,0,2,0|2,0,0]=4 5214 B8R1.7 OC(=O)c1ncco1 1P0035WL [0,0,0,0,2,0|2,0,0]=4 5215 B8R1.7 OC(=O)c1ncco1 1P028A5I [0,0,0,0,2,0|2,0,0]=4 5216 B8R1.7 OC(=O)c1nccs1 1P001HT7 [0,0,0,0,2,0|2,0,0]=4 5217 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [0,0,0,0,2,0|1,0,1]=4 5218 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [0,0,0,0,2,0|1,0,1]=4 5219 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [0,0,0,0,2,0|1,0,1]=4 5220 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [0,0,0,0,0,2|2,0,0]=4 5221 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,0,0,0,0,2|2,0,0]=4 5222 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,0,0,0,0,2|2,0,0]=4 5223 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,0,0,0,0,2|2,0,0]=4 5224 B12R1.252 CC(=O)C=CSc1ccccc1 1P006LAB [0,0,0,0,0,2|1,0,1]=4 5225 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,0,0,0,0,2|1,0,0]=3 5226 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [0,0,0,0,0,2|2,0,0]=4 5227 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,0,0,0,0,2|1,0,0]=3 5228 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,0,0,0,0,2|1,0,0]=3 5229 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,2|1,0,0]=3 5230 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [0,0,0,0,0,2|2,0,0]=4 5231 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,0,0,0,0,2|1,0,0]=3 5232 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [0,0,0,0,0,2|1,0,1]=4 5233 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,0,0,0,0,2|1,0,1]=4 5234 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,0,0,0,0,2|1,0,1]=4 5235 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,0,0,0,0,2|1,0,1]=4 5236 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [0,0,0,0,0,2|1,0,0]=3 5237 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [0,0,0,0,0,2|1,0,0]=3 5238 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [0,0,0,0,0,2|1,0,0]=3 5239 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [0,0,0,0,0,2|1,0,0]=3 5240 B12R1.252 FC(=COCc1ccccc1)F 1P028VSQ [0,0,0,0,0,2|2,0,0]=4 5241 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,0,0,0,0,2|2,0,0]=4 5242 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,2|2,0,0]=4 5243 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,0,0,0,0,2|2,0,0]=4 5244 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,2|1,0,0]=3 5245 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,2|1,0,0]=3 5246 B12R1.252 NC(=O)CNCc1cccnc1 1P019VMJ [0,0,0,0,0,2|2,0,0]=4 5247 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,2|1,0,0]=3 5248 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,2|1,0,0]=3 5249 B12R1.252 NC(=O)NCCc1ccccn1 1P01A9JG [0,0,0,0,0,2|2,0,0]=4 5250 B12R1.252 NC(=O)NCCc1cccnc1 1P01AHPB [0,0,0,0,0,2|2,0,0]=4 5251 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,2|1,0,0]=3 5252 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,0,0,0,0,2|1,1,0]=4 5253 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,2|1,1,0]=4 5254 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,0,0,0,0,2|1,1,0]=4 5255 B12R1.252 OB(C=CCc1ccccc1)O 1P007O1D [0,0,0,0,0,2|1,0,1]=4 5256 B12R1.252 OC(=O)C=CSc1ccccc1 1P005I79 [0,0,0,0,0,2|0,0,1]=3 5257 B12R1.252 OC(=O)CC#Cc1ccccc1 1P01A0H8 [0,0,0,0,0,2|0,0,0]=2 5258 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [0,0,0,0,0,2|0,0,0]=2 5259 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [0,0,0,0,0,2|0,0,0]=2 5260 B12R1.252 OC(=O)CCCc1ccccn1 1P0034AM [0,0,0,0,0,2|1,0,0]=3 5261 B12R1.252 OC(=O)CCCc1ccccn1 1P01ABGB [0,0,0,0,0,2|1,0,0]=3 5262 B12R1.252 OC(=O)CCCc1cccnc1 1P01BF81 [0,0,0,0,0,2|1,0,0]=3 5263 B12R1.252 OC(=O)CCCc1cccnc1 1P01BFAM [0,0,0,0,0,2|1,0,0]=3 5264 B12R1.252 OC(=O)CCCc1ccncc1 1P005FSI [0,0,0,0,0,2|1,0,0]=3 5265 B12R1.252 OC(=O)CCCc1ccncc1 1P008SS0 [0,0,0,0,0,2|1,0,0]=3 5266 B12R1.252 OC(=O)CCCc1cnccn1 1P0288XZ [0,0,0,0,0,2|2,0,0]=4 5267 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [0,0,0,0,0,2|0,0,0]=2 5268 B12R1.252 OC(=O)CCNc1ccccn1 1P008UIH [0,0,0,0,0,2|1,0,0]=3 5269 B12R1.252 OC(=O)CCNc1ccccn1 1P019VN6 [0,0,0,0,0,2|1,0,0]=3 5270 B12R1.252 OC(=O)CCNc1ccncc1 1P01FIW6 [0,0,0,0,0,2|1,0,0]=3 5271 B12R1.252 OC(=O)CCNc1cncnc1 1P028PNO [0,0,0,0,0,2|2,0,0]=4 5272 B12R1.252 OC(=O)CCNc1ncccn1 1P00COZ9 [0,0,0,0,0,2|2,0,0]=4 5273 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [0,0,0,0,0,2|0,0,0]=2 5274 B12R1.252 OC(=O)CCOc1cccnc1 1P01A94G [0,0,0,0,0,2|1,0,0]=3 5275 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [0,0,0,0,0,2|0,0,0]=2 5276 B12R1.252 OC(=O)CCSc1ccccn1 1P00D0ZH [0,0,0,0,0,2|1,0,0]=3 5277 B12R1.252 OC(=O)CCSc1ncccn1 1P019VQZ [0,0,0,0,0,2|2,0,0]=4 5278 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [0,0,0,0,0,2|0,0,0]=2 5279 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [0,0,0,0,0,2|0,0,0]=2 5280 B12R1.252 OC(=O)CNCc1ccccn1 1P01A8ES [0,0,0,0,0,2|1,0,0]=3 5281 B12R1.252 OC(=O)CNCc1cccnc1 1P019N25 [0,0,0,0,0,2|1,0,0]=3 5282 B12R1.252 OC(=O)CNCc1ccncc1 1P01BDO4 [0,0,0,0,0,2|1,0,0]=3 5283 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [0,0,0,0,0,2|0,0,0]=2 5284 B12R1.252 OC(=O)COCc1ccccn1 1P01BBSG [0,0,0,0,0,2|1,0,0]=3 5285 B12R1.252 OC(=O)COCc1cccnc1 1P01BBMF [0,0,0,0,0,2|1,0,0]=3 5286 B12R1.252 OC(=O)COCc1ccncc1 1P000DSM [0,0,0,0,0,2|1,0,0]=3 5287 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [0,0,0,0,0,2|0,0,0]=2 5288 B12R1.252 OC(=O)CSCc1ccccn1 1P00BFT6 [0,0,0,0,0,2|1,0,0]=3 5289 B12R1.252 OC(=O)CSCc1cccnc1 1P00GUVU [0,0,0,0,0,2|1,0,0]=3 5290 B12R1.252 OC(=O)CSCc1ccncc1 1P00DBSP [0,0,0,0,0,2|1,0,0]=3 5291 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [0,0,0,0,0,2|0,0,0]=2 5292 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [0,0,0,0,0,2|0,0,1]=3