0 B8R1.8 BrCCc1cccs1 1P002TU6 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 BrCCc1ccon1 1P027ZTK [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 BrCCc1cncs1 1P01BBZH [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 BrCCc1cscn1 1P01FIOL [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 BrCCc1ncco1 1P027XM1 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.8 BrCCn1cccn1 1P000IZ7 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 BrCCn1cccn1 1P01C29K [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 BrCCn1nccn1 1P000S1W [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 C(c1nncs1)C#N 1P01QZCB [0,0,0,0,0,0|3,0,1]=4 10 B8R1.8 CCCC1=NCCN1 1P003IA8 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 CCCC1=NCCO1 1P003KYP [0,0,0,0,0,0|1,1,2]=4 12 B8R1.8 CCCc1cc[nH]n1 1P005UQF [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 CCCc1ccc[nH]1 1P007FSL [0,0,0,0,0,0|2,0,1]=3 14 B8R1.8 CCCc1cccs1 1P003IDK [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 CCCc1cocn1 1P023RY6 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 CCCc1cscc1 1P003KB0 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 CCCc1n[nH]cn1 1P00J2TN [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 CCCc1n[nH]nn1 1P001J1W [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 CCCc1ncc[nH]1 1P003IDI [0,0,0,0,0,0|2,0,0]=2 20 B8R1.8 CCCc1nccs1 1P00250A [0,0,0,0,0,0|1,0,0]=1 21 B8R1.8 CCCc1ncn[nH]1 1P002CI3 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.8 CCCn1cccn1 1P003F3X [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 CCNc1cc[nH]n1 1P02809P [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 CCNc1cscc1 1P027WY1 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 CCNc1ncc[nH]1 1P01A1SZ [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 CCNc1nccs1 1P009VZC [0,0,0,0,0,0|1,0,0]=1 27 B8R1.8 CCNc1nccs1 1P00IGOJ [0,0,0,0,0,0|1,0,0]=1 28 B8R1.8 CCNc1ncn[nH]1 1P01DX9H [0,0,0,0,0,0|3,0,0]=3 29 B8R1.8 CCNc1nnco1 1P01BUA7 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.8 CCNc1nncs1 1P0011KL [0,0,0,0,0,0|2,0,0]=2 31 B8R1.8 CCNc1nnns1 1P01C5YM [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [0,0,0,0,0,0|2,0,0]=2 33 B8R1.8 CCOc1c[nH]nc1 1P0052T0 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 CCOc1cc[nH]n1 1P00ELSD [0,0,0,0,0,0|2,0,0]=2 35 B8R1.8 CCOc1cccs1 1P01HY7F [0,0,0,0,0,0|1,0,0]=1 36 B8R1.8 CCOc1cnco1 1P001MYR [0,0,0,0,0,0|2,1,0]=3 37 B8R1.8 CCOc1cscc1 1P000BFR [0,0,0,0,0,0|3,0,0]=3 38 B8R1.8 CCOc1nc[c-]s1 1P00D8GG [0,0,0,0,0,0|0,0,1]=1 39 B8R1.8 CCOc1nccs1 1P001PGN [0,0,0,0,0,0|0,0,0]=0 40 B8R1.8 CCSc1nnn[nH]1 1P003MO6 [0,0,0,0,0,0|3,1,0]=4 41 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CNCc1cc[nH]n1 1P028LFR [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 CNCc1ccc[nH]1 1P002S02 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.8 CNCc1ccc[nH]1 1P027XEF [0,0,0,0,0,0|3,0,1]=4 45 B8R1.8 CNCc1ccco1 1P00D8RX [0,0,0,0,0,0|3,1,0]=4 46 B8R1.8 CNCc1cccs1 1P003TMJ [0,0,0,0,0,0|3,0,0]=3 47 B8R1.8 CNCc1cccs1 1P003TMK [0,0,0,0,0,0|3,0,0]=3 48 B8R1.8 CNCc1ccon1 1P002ZO4 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.8 CNCc1ccon1 1P008SBA [0,0,0,0,0,0|4,0,0]=4 50 B8R1.8 CNCc1cncs1 1P00H3L5 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.8 CNCc1cocn1 1P027V8U [0,0,0,0,0,0|4,0,0]=4 52 B8R1.8 CNCc1cscn1 1P0081AQ [0,0,0,0,0,0|4,0,0]=4 53 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [0,0,0,0,0,0|3,0,0]=3 54 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.8 CNCc1ncco1 1P027WJR [0,0,0,0,0,0|2,1,0]=3 56 B8R1.8 CNCc1nccs1 1P001JI2 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.8 CNCc1nccs1 1P00J1AR [0,0,0,0,0,0|2,0,0]=2 58 B8R1.8 CNCc1ncno1 1P01A0G6 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.8 CNCc1ncsc1 1P00J1AI [0,0,0,0,0,0|4,0,0]=4 60 B8R1.8 CNCc1nnc[nH]1 1P01AKCG [0,0,0,0,0,0|4,0,0]=4 61 B8R1.8 CNCc1nnc[nH]1 1P01BGHC [0,0,0,0,0,0|4,0,0]=4 62 B8R1.8 CNCc1nocn1 1P00J1AG [0,0,0,0,0,0|4,0,0]=4 63 B8R1.8 CNCc1scnn1 1P028DCU [0,0,0,0,0,0|3,0,0]=3 64 B8R1.8 COCc1c[nH]cn1 1P00IF42 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.8 COCc1cc[nH]n1 1P01DZQW [0,0,0,0,0,0|4,0,0]=4 66 B8R1.8 COCc1cccs1 1P001LLJ [0,0,0,0,0,0|3,0,0]=3 67 B8R1.8 COCc1ccns1 1P01FL4P [0,0,0,0,0,0|4,0,0]=4 68 B8R1.8 COCc1cncs1 1P027XKB [0,0,0,0,0,0|4,0,0]=4 69 B8R1.8 COCc1ncc[nH]1 1P0008HA [0,0,0,0,0,0|3,0,0]=3 70 B8R1.8 COCc1ncn[nH]1 1P00C2HW [0,0,0,0,0,0|4,0,0]=4 71 B8R1.8 COCn1cccn1 1P000NFN [0,0,0,0,0,0|4,0,0]=4 72 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [0,0,0,0,0,0|4,0,0]=4 73 B8R1.8 CSCc1ccco1 1P003R63 [0,0,0,0,0,0|3,1,0]=4 74 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.8 ClCCc1cccs1 1P002CY4 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.8 ClCCc1ccsn1 1P01EM7P [0,0,0,0,0,0|4,0,0]=4 77 B8R1.8 ClCCc1cncs1 1P01AML1 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.8 ClCCc1cscn1 1P00GMD7 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.8 ClCCc1n[nH]cn1 1P02852C [0,0,0,0,0,0|4,0,0]=4 80 B8R1.8 ClCCc1ncc[nH]1 1P00J37C [0,0,0,0,0,0|3,0,0]=3 81 B8R1.8 ClCCn1cccn1 1P005UFV [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 ClCCn1cccn1 1P019Z04 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.8 FCCn1cccn1 1P01AP74 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.8 ICCn1cccn1 1P0293GI [0,0,0,0,0,0|4,0,0]=4 85 B8R1.8 N#CCc1cccs1 1P002KFF [0,0,0,0,0,0|3,0,1]=4 86 B8R1.8 N#CCc1ncc[nH]1 1P002MXF [0,0,0,0,0,0|3,0,1]=4 87 B8R1.8 N#CCc1ncco1 1P0050ZU [0,0,0,0,0,0|2,1,1]=4 88 B8R1.8 N#CCc1nccs1 1P0003Z1 [0,0,0,0,0,0|2,0,1]=3 89 B8R1.8 N(c1nncs1)C#N 1P008VEB [0,0,0,0,0,0|3,0,1]=4 90 B8R1.8 N(c1nncs1)C=O 1P028MQZ [0,0,0,0,0,0|3,0,1]=4 91 B8R1.8 NCCc1c[nH]cn1 1P0037UP [0,0,0,0,0,0|4,0,0]=4 92 B8R1.8 NCCc1cc[nH]n1 1P0085RD [0,0,0,0,0,0|4,0,0]=4 93 B8R1.8 NCCc1cc[nH]n1 1P009FIS [0,0,0,0,0,0|4,0,0]=4 94 B8R1.8 NCCc1ccc[nH]1 1P003F9F [0,0,0,0,0,0|3,0,1]=4 95 B8R1.8 NCCc1ccco1 1P003HT8 [0,0,0,0,0,0|3,1,0]=4 96 B8R1.8 NCCc1ccco1 1P00J3S8 [0,0,0,0,0,0|3,1,0]=4 97 B8R1.8 NCCc1cccs1 1P0030KO [0,0,0,0,0,0|3,0,0]=3 98 B8R1.8 NCCc1ccon1 1P01A2VX [0,0,0,0,0,0|4,0,0]=4 99 B8R1.8 NCCc1cscn1 1P008NUY [0,0,0,0,0,0|4,0,0]=4 100 B8R1.8 NCCc1nc[nH]c1 1P0035GO [0,0,0,0,0,0|4,0,0]=4 101 B8R1.8 NCCc1nc[nH]c1 1P003REF [0,0,0,0,0,0|4,0,0]=4 102 B8R1.8 NCCc1ncc[nH]1 1P00I025 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.8 NCCc1ncco1 1P0284E7 [0,0,0,0,0,0|2,1,0]=3 104 B8R1.8 NCCc1nccs1 1P003AOM [0,0,0,0,0,0|2,0,0]=2 105 B8R1.8 NCCc1nccs1 1P0075VS [0,0,0,0,0,0|2,0,0]=2 106 B8R1.8 NCCc1ncn[nH]1 1P00ID9Y [0,0,0,0,0,0|4,0,0]=4 107 B8R1.8 NCCc1ncno1 1P00KCRN [0,0,0,0,0,0|3,1,0]=4 108 B8R1.8 NCCc1ncoc1 1P024XO7 [0,0,0,0,0,0|4,0,0]=4 109 B8R1.8 NCCc1ncoc1 1P028SJK [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 NCCc1ncsc1 1P00G8VN [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 NCCc1nnc[nH]1 1P019SJM [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 NCCc1nocn1 1P01AJQD [0,0,0,0,0,0|4,0,0]=4 113 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,0,0,0,0,0|4,0,0]=4 114 B8R1.8 NCCc1scnn1 1P00HYGH [0,0,0,0,0,0|3,0,0]=3 115 B8R1.8 NCCn1cccn1 1P0004UZ [0,0,0,0,0,0|4,0,0]=4 116 B8R1.8 NCCn1cccn1 1P00J1AE [0,0,0,0,0,0|4,0,0]=4 117 B8R1.8 NCCn1nccn1 1P01ATBE [0,0,0,0,0,0|4,0,0]=4 118 B8R1.8 NNCc1cccs1 1P00J317 [0,0,0,0,0,0|4,0,0]=4 119 B8R1.8 NOCc1cccs1 1P01P0SG [0,0,0,0,0,0|4,0,0]=4 120 B8R1.8 O=C=Nc1cccs1 1P002A6D [0,0,0,0,0,0|3,0,1]=4 121 B8R1.8 O=CCc1cccs1 1P00AD6S [0,0,0,0,0,0|3,0,1]=4 122 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [0,0,0,0,0,0|3,0,1]=4 124 B8R1.8 OCCc1ccco1 1P00BZB3 [0,0,0,0,0,0|3,1,0]=4 125 B8R1.8 OCCc1cccs1 1P0033WO [0,0,0,0,0,0|3,0,0]=3 126 B8R1.8 OCCc1ccsn1 1P0290FH [0,0,0,0,0,0|4,0,0]=4 127 B8R1.8 OCCc1cncs1 1P01B9DR [0,0,0,0,0,0|4,0,0]=4 128 B8R1.8 OCCc1cscn1 1P028C5K [0,0,0,0,0,0|4,0,0]=4 129 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [0,0,0,0,0,0|3,0,0]=3 130 B8R1.8 OCCc1ncc[nH]1 1P0281JM [0,0,0,0,0,0|3,0,0]=3 131 B8R1.8 OCCc1ncco1 1P02817S [0,0,0,0,0,0|2,1,0]=3 132 B8R1.8 OCCc1nccs1 1P0040AO [0,0,0,0,0,0|2,0,0]=2 133 B8R1.8 OCCn1cccn1 1P0033B0 [0,0,0,0,0,0|4,0,0]=4 134 B8R1.8 OCCn1nccn1 1P00AQIJ [0,0,0,0,0,0|4,0,0]=4 135 B8R1.8 ON=Cc1cccs1 1P002ZKS [0,0,0,0,0,0|4,0,0]=4 136 B8R1.8 SCCc1ccco1 1P01HNHQ [0,0,0,0,0,0|3,1,0]=4 137 B8R1.8 SCCc1cccs1 1P01HCS8 [0,0,0,0,0,0|3,0,0]=3 138 B8R1.8 SCCn1cccn1 1P019UID [0,0,0,0,0,0|4,0,0]=4 139 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [0,0,0,0,0,0|3,0,1]=4 140 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [1,0,0,0,0,0|3,0,0]=4 141 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [1,0,0,0,0,0|3,0,0]=4 142 B7R1.1 BrCc1cccs1 1P003A54 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.1 BrCc1ccns1 1P00BNV7 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.1 BrCc1ccon1 1P005JQO [1,0,0,0,0,0|3,0,0]=4 145 B7R1.1 BrCc1cncs1 1P00IJOS [1,0,0,0,0,0|3,0,0]=4 146 B7R1.1 BrCc1cocn1 1P008U5Y [1,0,0,0,0,0|3,0,0]=4 147 B7R1.1 BrCc1cscn1 1P0036OC [1,0,0,0,0,0|3,0,0]=4 148 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.1 BrCc1ncco1 1P01XD2T [1,0,0,0,0,0|1,1,0]=3 150 B7R1.1 BrCc1nccs1 1P000T52 [1,0,0,0,0,0|1,0,0]=2 151 B7R1.1 BrCc1ncno1 1P01C6TW [1,0,0,0,0,0|2,1,0]=4 152 B7R1.1 BrCc1nocn1 1P00J373 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.1 BrCn1cccn1 1P01B9DJ [1,0,0,0,0,0|3,0,0]=4 154 B7R1.1 C#Cc1cccs1 1P0038AO [1,0,0,0,0,0|1,0,2]=4 155 B7R1.1 C#Cc1ncco1 1P028X1G [1,0,0,0,0,0|0,1,2]=4 156 B7R1.1 C#Cc1nccs1 1P0082O0 [1,0,0,0,0,0|0,0,2]=3 157 B7R1.1 C=Cc1cccs1 1P002FXU [1,0,0,0,0,0|1,0,2]=4 158 B7R1.1 C=Cc1ncc[nH]1 1P00DIAP [1,0,0,0,0,0|1,0,2]=4 159 B7R1.1 C=Cc1ncc[nH]1 1P0285M8 [1,0,0,0,0,0|1,0,2]=4 160 B7R1.1 C=Cc1nccs1 1P00HVP0 [1,0,0,0,0,0|0,0,2]=3 161 B7R1.1 CCC1=NCCO1 1P003HNL [1,0,0,0,0,0|0,1,2]=4 162 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,0,0,0|2,0,1]=4 163 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,0,0,0|2,0,1]=4 164 B7R1.1 CCc1c[nH]cc1 1P00APDI [1,0,0,0,0,0|3,0,0]=4 165 B7R1.1 CCc1cc[nH]n1 1P0018FG [1,0,0,0,0,0|2,0,0]=3 166 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,0,0,0|1,0,1]=3 167 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,0,0,0|1,1,0]=3 168 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,0,0,0|1,0,0]=2 169 B7R1.1 CCc1ccon1 1P028EIU [1,0,0,0,0,0|2,0,0]=3 170 B7R1.1 CCc1cn[nH]n1 1P024SQ7 [1,0,0,0,0,0|3,0,0]=4 171 B7R1.1 CCc1cnc[nH]1 1P001J1R [1,0,0,0,0,0|2,0,1]=4 172 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,0,0,0|2,1,0]=4 173 B7R1.1 CCc1cocn1 1P01B79E [1,0,0,0,0,0|2,0,0]=3 174 B7R1.1 CCc1cscc1 1P0027I2 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.1 CCc1cscn1 1P00250B [1,0,0,0,0,0|2,0,0]=3 176 B7R1.1 CCc1n[nH]cn1 1P0039JI [1,0,0,0,0,0|2,0,0]=3 177 B7R1.1 CCc1n[nH]nn1 1P001XG5 [1,0,0,0,0,0|3,0,0]=4 178 B7R1.1 CCc1ncc[nH]1 1P003BOK [1,0,0,0,0,0|1,0,0]=2 179 B7R1.1 CCc1nccs1 1P001PGS [1,0,0,0,0,0|0,0,0]=1 180 B7R1.1 CCc1nnco1 1P000WQS [1,0,0,0,0,0|1,1,0]=3 181 B7R1.1 CCc1nnn[nH]1 1P00DLXP [1,0,0,0,0,0|3,0,0]=4 182 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,0,0,0|3,0,0]=4 183 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,0,0,0|2,0,0]=3 184 B7R1.1 CCn1ccnn1 1P00K7KQ [1,0,0,0,0,0|3,0,0]=4 185 B7R1.1 CCn1ccnn1 1P028VSK [1,0,0,0,0,0|3,0,0]=4 186 B7R1.1 CCn1cncn1 1P001Y2E [1,0,0,0,0,0|3,0,0]=4 187 B7R1.1 CNC1=NCCS1 1P019WUF [1,0,0,0,0,0|1,0,2]=4 188 B7R1.1 CNc1cc[nH]n1 1P00E6KF [1,0,0,0,0,0|3,0,0]=4 189 B7R1.1 CNc1ccon1 1P00HS5D [1,0,0,0,0,0|3,0,0]=4 190 B7R1.1 CNc1ccon1 1P00IAF9 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.1 CNc1ccsn1 1P028UZC [1,0,0,0,0,0|3,0,0]=4 192 B7R1.1 CNc1n[nH]cn1 1P00B5HT [1,0,0,0,0,0|3,0,0]=4 193 B7R1.1 CNc1ncc[nH]1 1P01BE1C [1,0,0,0,0,0|2,0,0]=3 194 B7R1.1 CNc1ncco1 1P0039ZY [1,0,0,0,0,0|1,1,0]=3 195 B7R1.1 CNc1nccs1 1P00EGBN [1,0,0,0,0,0|1,0,0]=2 196 B7R1.1 CNc1nnco1 1P01BTTZ [1,0,0,0,0,0|2,1,0]=4 197 B7R1.1 CNc1nncs1 1P00I84C [1,0,0,0,0,0|2,0,0]=3 198 B7R1.1 CNc1nnns1 1P01C5MX [1,0,0,0,0,0|3,0,0]=4 199 B7R1.1 COC1=NCCC1 1P00DCJM [1,0,0,0,0,0|1,0,2]=4 200 B7R1.1 COc1c[nH]cn1 1P0048ET [1,0,0,0,0,0|2,0,0]=3 201 B7R1.1 COc1cc[nH]n1 1P00I4N8 [1,0,0,0,0,0|2,0,0]=3 202 B7R1.1 COc1cccs1 1P001YI0 [1,0,0,0,0,0|1,0,0]=2 203 B7R1.1 COc1ccsn1 1P01BDQO [1,0,0,0,0,0|2,0,0]=3 204 B7R1.1 COc1cscc1 1P0021M3 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.1 COc1nccs1 1P001DHP [1,0,0,0,0,0|0,0,0]=1 206 B7R1.1 COc1nncs1 1P004Y6Z [1,0,0,0,0,0|1,0,0]=2 207 B7R1.1 CSC1=NCCS1 1P002CSS [1,0,0,0,0,0|0,1,2]=4 208 B7R1.1 CSc1c[nH]cn1 1P0036YT [1,0,0,0,0,0|2,1,0]=4 209 B7R1.1 CSc1cc[nH]n1 1P0283LV [1,0,0,0,0,0|2,1,0]=4 210 B7R1.1 CSc1ccc[nH]1 1P01ID3L [1,0,0,0,0,0|1,1,1]=4 211 B7R1.1 CSc1ccco1 1P000WBV [1,0,0,0,0,0|1,2,0]=4 212 B7R1.1 CSc1cccs1 1P0033CD [1,0,0,0,0,0|1,1,0]=3 213 B7R1.1 CSc1cncs1 1P01BU59 [1,0,0,0,0,0|2,1,0]=4 214 B7R1.1 CSc1ncc[nH]1 1P003FKB [1,0,0,0,0,0|1,1,0]=3 215 B7R1.1 CSc1ncco1 1P002DMB [1,0,0,0,0,0|0,2,0]=3 216 B7R1.1 CSc1nccs1 1P003BJA [1,0,0,0,0,0|0,1,0]=2 217 B7R1.1 CSc1nnc[nH]1 1P005U9S [1,0,0,0,0,0|2,1,0]=4 218 B7R1.1 CSc1nnc[nH]1 1P028EL9 [1,0,0,0,0,0|2,1,0]=4 219 B7R1.1 CSc1nncs1 1P028THD [1,0,0,0,0,0|1,1,0]=3 220 B7R1.1 ClCc1c[nH]cn1 1P00I84M [1,0,0,0,0,0|3,0,0]=4 221 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.1 ClCc1cccs1 1P005XFR [1,0,0,0,0,0|2,0,0]=3 223 B7R1.1 ClCc1ccns1 1P0078AS [1,0,0,0,0,0|3,0,0]=4 224 B7R1.1 ClCc1ccon1 1P00IAQH [1,0,0,0,0,0|3,0,0]=4 225 B7R1.1 ClCc1ccsn1 1P020M65 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.1 ClCc1cncs1 1P009I1Z [1,0,0,0,0,0|3,0,0]=4 227 B7R1.1 ClCc1cncs1 1P00DCWM [1,0,0,0,0,0|3,0,0]=4 228 B7R1.1 ClCc1cocn1 1P005ISW [1,0,0,0,0,0|3,0,0]=4 229 B7R1.1 ClCc1cocn1 1P00FH8Z [1,0,0,0,0,0|3,0,0]=4 230 B7R1.1 ClCc1cscn1 1P003KNK [1,0,0,0,0,0|3,0,0]=4 231 B7R1.1 ClCc1n[nH]cn1 1P01B76A [1,0,0,0,0,0|3,0,0]=4 232 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [1,0,0,0,0,0|2,0,0]=3 233 B7R1.1 ClCc1ncco1 1P0038DX [1,0,0,0,0,0|1,1,0]=3 234 B7R1.1 ClCc1ncco1 1P028B1R [1,0,0,0,0,0|1,1,0]=3 235 B7R1.1 ClCc1nccs1 1P00FM3G [1,0,0,0,0,0|1,0,0]=2 236 B7R1.1 ClCc1nccs1 1P00I738 [1,0,0,0,0,0|1,0,0]=2 237 B7R1.1 ClCc1ncno1 1P019M1U [1,0,0,0,0,0|2,1,0]=4 238 B7R1.1 ClCc1nnco1 1P00370N [1,0,0,0,0,0|2,1,0]=4 239 B7R1.1 ClCc1nncs1 1P019ZE1 [1,0,0,0,0,0|2,0,0]=3 240 B7R1.1 ClCc1nocn1 1P00D9FD [1,0,0,0,0,0|3,0,0]=4 241 B7R1.1 ClCc1nscn1 1P025GCZ [1,0,0,0,0,0|3,0,0]=4 242 B7R1.1 ClCn1cccn1 1P00FET4 [1,0,0,0,0,0|3,0,0]=4 243 B7R1.1 ClCn1nccn1 1P008NQ6 [1,0,0,0,0,0|3,0,0]=4 244 B7R1.1 N#Cc1cccs1 1P0001Y6 [1,0,0,0,0,0|2,0,1]=4 245 B7R1.1 N#Cc1ncc[nH]1 1P001B42 [1,0,0,0,0,0|2,0,1]=4 246 B7R1.1 N#Cc1ncc[nH]1 1P0038JH [1,0,0,0,0,0|2,0,1]=4 247 B7R1.1 N#Cc1ncco1 1P0061S1 [1,0,0,0,0,0|1,1,1]=4 248 B7R1.1 N#Cc1nccs1 1P0033WM [1,0,0,0,0,0|1,0,1]=3 249 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [1,0,0,0,0,0|3,0,0]=4 250 B7R1.1 NCc1cc[nH]n1 1P00398P [1,0,0,0,0,0|3,0,0]=4 251 B7R1.1 NCc1ccc[nH]1 1P0033BP [1,0,0,0,0,0|2,0,1]=4 252 B7R1.1 NCc1ccc[nH]1 1P006SOC [1,0,0,0,0,0|2,0,1]=4 253 B7R1.1 NCc1ccco1 1P00IBDE [1,0,0,0,0,0|2,1,0]=4 254 B7R1.1 NCc1cccs1 1P002V4I [1,0,0,0,0,0|2,0,0]=3 255 B7R1.1 NCc1ccns1 1P01B6TZ [1,0,0,0,0,0|3,0,0]=4 256 B7R1.1 NCc1ccns1 1P01B6V6 [1,0,0,0,0,0|3,0,0]=4 257 B7R1.1 NCc1ccon1 1P00811U [1,0,0,0,0,0|3,0,0]=4 258 B7R1.1 NCc1ccon1 1P009337 [1,0,0,0,0,0|3,0,0]=4 259 B7R1.1 NCc1ccsn1 1P0076B9 [1,0,0,0,0,0|3,0,0]=4 260 B7R1.1 NCc1cncs1 1P001WDD [1,0,0,0,0,0|3,0,0]=4 261 B7R1.1 NCc1cncs1 1P00811W [1,0,0,0,0,0|3,0,0]=4 262 B7R1.1 NCc1cocn1 1P0039FL [1,0,0,0,0,0|3,0,0]=4 263 B7R1.1 NCc1cocn1 1P00DG0B [1,0,0,0,0,0|3,0,0]=4 264 B7R1.1 NCc1cscn1 1P000E2I [1,0,0,0,0,0|3,0,0]=4 265 B7R1.1 NCc1cscn1 1P001WF7 [1,0,0,0,0,0|3,0,0]=4 266 B7R1.1 NCc1nc[nH]c1 1P0038XO [1,0,0,0,0,0|3,0,0]=4 267 B7R1.1 NCc1ncc[nH]1 1P001A1F [1,0,0,0,0,0|2,0,0]=3 268 B7R1.1 NCc1ncc[nH]1 1P003A7Q [1,0,0,0,0,0|2,0,0]=3 269 B7R1.1 NCc1ncco1 1P0038HB [1,0,0,0,0,0|1,1,0]=3 270 B7R1.1 NCc1ncco1 1P028B4B [1,0,0,0,0,0|1,1,0]=3 271 B7R1.1 NCc1nccs1 1P0033BR [1,0,0,0,0,0|1,0,0]=2 272 B7R1.1 NCc1nccs1 1P0037J6 [1,0,0,0,0,0|1,0,0]=2 273 B7R1.1 NCc1nccs1 1P00G4H4 [1,0,0,0,0,0|1,0,0]=2 274 B7R1.1 NCc1ncn[nH]1 1P000PYO [1,0,0,0,0,0|3,0,0]=4 275 B7R1.1 NCc1ncn[nH]1 1P00EAG9 [1,0,0,0,0,0|3,0,0]=4 276 B7R1.1 NCc1ncn[nH]1 1P00H3I1 [1,0,0,0,0,0|3,0,0]=4 277 B7R1.1 NCc1ncno1 1P01FJYD [1,0,0,0,0,0|2,1,0]=4 278 B7R1.1 NCc1ncsc1 1P00J1AF [1,0,0,0,0,0|3,0,0]=4 279 B7R1.1 NCc1nnco1 1P001950 [1,0,0,0,0,0|2,1,0]=4 280 B7R1.1 NCc1nocn1 1P00CJHT [1,0,0,0,0,0|3,0,0]=4 281 B7R1.1 NCc1nscn1 1P028A0H [1,0,0,0,0,0|3,0,0]=4 282 B7R1.1 NCc1scnc1 1P0015PG [1,0,0,0,0,0|3,0,0]=4 283 B7R1.1 NCc1scnn1 1P01BSDS [1,0,0,0,0,0|2,0,0]=3 284 B7R1.1 NNc1nccs1 1P007JQK [1,0,0,0,0,0|2,0,0]=3 285 B7R1.1 NNc1ncns1 1P0287PI [1,0,0,0,0,0|3,0,0]=4 286 B7R1.1 O=Cc1cccs1 1P0039RD [1,0,0,0,0,0|2,0,1]=4 287 B7R1.1 O=Cc1ncc[nH]1 1P00047Y [1,0,0,0,0,0|2,0,1]=4 288 B7R1.1 O=Cc1ncco1 1P0037C2 [1,0,0,0,0,0|1,1,1]=4 289 B7R1.1 O=Cc1nccs1 1P0006QL [1,0,0,0,0,0|1,0,1]=3 290 B7R1.1 O=Cc1nncs1 1P001KQO [1,0,0,0,0,0|2,0,1]=4 291 B7R1.1 OCc1c[nH]cn1 1P0038JP [1,0,0,0,0,0|3,0,0]=4 292 B7R1.1 OCc1c[nH]cn1 1P0056GC [1,0,0,0,0,0|3,0,0]=4 293 B7R1.1 OCc1cc[nH]n1 1P002O87 [1,0,0,0,0,0|3,0,0]=4 294 B7R1.1 OCc1ccco1 1P003R60 [1,0,0,0,0,0|2,1,0]=4 295 B7R1.1 OCc1cccs1 1P003BQJ [1,0,0,0,0,0|2,0,0]=3 296 B7R1.1 OCc1ccns1 1P00ACUC [1,0,0,0,0,0|3,0,0]=4 297 B7R1.1 OCc1ccon1 1P0036QI [1,0,0,0,0,0|3,0,0]=4 298 B7R1.1 OCc1ccsn1 1P01V5TO [1,0,0,0,0,0|3,0,0]=4 299 B7R1.1 OCc1cncs1 1P0034R1 [1,0,0,0,0,0|3,0,0]=4 300 B7R1.1 OCc1cocn1 1P001ON1 [1,0,0,0,0,0|3,0,0]=4 301 B7R1.1 OCc1cscn1 1P003AEU [1,0,0,0,0,0|3,0,0]=4 302 B7R1.1 OCc1ncc[nH]1 1P000CAH [1,0,0,0,0,0|2,0,0]=3 303 B7R1.1 OCc1ncc[nH]1 1P00BYAS [1,0,0,0,0,0|2,0,0]=3 304 B7R1.1 OCc1ncco1 1P000V32 [1,0,0,0,0,0|1,1,0]=3 305 B7R1.1 OCc1nccs1 1P001DHQ [1,0,0,0,0,0|1,0,0]=2 306 B7R1.1 OCc1ncn[nH]1 1P000KXU [1,0,0,0,0,0|3,0,0]=4 307 B7R1.1 OCc1ncn[nH]1 1P000POT [1,0,0,0,0,0|3,0,0]=4 308 B7R1.1 OCc1ncno1 1P01DTPJ [1,0,0,0,0,0|2,1,0]=4 309 B7R1.1 OCc1nncs1 1P00E8XG [1,0,0,0,0,0|2,0,0]=3 310 B7R1.1 OCc1nocn1 1P0093FC [1,0,0,0,0,0|3,0,0]=4 311 B7R1.1 OCn1cccn1 1P007CY4 [1,0,0,0,0,0|3,0,0]=4 312 B7R1.1 SCc1ccc[nH]1 1P01DX9D [1,0,0,0,0,0|2,0,1]=4 313 B7R1.1 SCc1ccco1 1P003R61 [1,0,0,0,0,0|2,1,0]=4 314 B7R1.1 SCc1cccs1 1P003IEO [1,0,0,0,0,0|2,0,0]=3 315 B7R1.1 SCc1ccon1 1P020M64 [1,0,0,0,0,0|3,0,0]=4 316 B7R1.1 SCc1cncs1 1P028027 [1,0,0,0,0,0|3,0,0]=4 317 B7R1.1 SCc1cocn1 1P028V8N [1,0,0,0,0,0|3,0,0]=4 318 B7R1.1 SCc1cscn1 1P007YQ1 [1,0,0,0,0,0|3,0,0]=4 319 B7R1.1 SCc1nccs1 1P020M67 [1,0,0,0,0,0|1,0,0]=2 320 B9R1.7 Brc1csc(n1)CC#N 1P024VIP [0,1,0,0,0,0|2,0,1]=4 321 B9R1.7 CCCC1=NNC(=O)C1 1P002Y62 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.7 CCCc1[nH]nc(n1)C 1P019RAY [0,1,0,0,0,0|3,0,0]=4 323 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.7 CCCc1cc(on1)N 1P00FEB9 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,0,0,0|2,0,0]=3 326 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [0,1,0,0,0,0|3,0,0]=4 327 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,0,0,0|3,0,0]=4 328 B9R1.7 CCCc1csc(n1)N 1P00EGKN [0,1,0,0,0,0|3,0,0]=4 329 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.7 CCCc1nc(=N)s[nH]1 1P01B8LF [0,1,0,0,0,0|3,0,0]=4 331 B9R1.7 CCCc1nc(=S)[nH][nH]1 1P0062UV [0,1,0,0,0,0|3,0,0]=4 332 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [0,1,0,0,0,0|2,0,0]=3 333 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [0,1,0,0,0,0|2,0,0]=3 334 B9R1.7 CCCc1nc(cs1)N 1P01DVH7 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.7 CCCc1nc(n[nH]1)Br 1P009EF7 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.7 CCCc1nc(no1)N 1P00ADB3 [0,1,0,0,0,0|2,1,0]=4 337 B9R1.7 CCCc1ncc(s1)N 1P01FJWT [0,1,0,0,0,0|1,0,0]=2 338 B9R1.7 CCCc1nnc(o1)N 1P00FEYV [0,1,0,0,0,0|2,1,0]=4 339 B9R1.7 CCCc1nnc(o1)O 1P00J32U [0,1,0,0,0,0|2,1,0]=4 340 B9R1.7 CCCc1nnc(o1)S 1P01A10N [0,1,0,0,0,0|2,1,0]=4 341 B9R1.7 CCCc1nnc(s1)Br 1P00HTQX [0,1,0,0,0,0|2,0,0]=3 342 B9R1.7 CCCc1nnc(s1)Cl 1P00HE53 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.7 CCCc1nnc(s1)N 1P00BZ38 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.7 CCCc1nsc(n1)Br 1P01ALZM [0,1,0,0,0,0|3,0,0]=4 345 B9R1.7 CCCc1nsc(n1)Cl 1P00H4SD [0,1,0,0,0,0|3,0,0]=4 346 B9R1.7 CCCn1cc(cn1)Br 1P009I33 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.7 CCCn1cc(cn1)Cl 1P00HFYD [0,1,0,0,0,0|3,0,0]=4 348 B9R1.7 CCCn1cc(cn1)N 1P009AM2 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.7 CCCn1cc(cn1)N 1P009X7M [0,1,0,0,0,0|3,0,0]=4 350 B9R1.7 CCCn1ccc(n1)Br 1P01DZ5E [0,1,0,0,0,0|3,0,0]=4 351 B9R1.7 CCCn1ccc(n1)I 1P00733M [0,1,0,0,0,0|3,0,0]=4 352 B9R1.7 CCCn1ccc(n1)N 1P00JCPI [0,1,0,0,0,0|3,0,0]=4 353 B9R1.7 CCNc1ccn(n1)C 1P028XGQ [0,1,0,0,0,0|3,0,0]=4 354 B9R1.7 CCNc1n[nH]c(c1)C 1P009QFC [0,1,0,0,0,0|3,0,0]=4 355 B9R1.7 CCNc1nc(cs1)Cl 1P028TNX [0,1,0,0,0,0|1,0,0]=2 356 B9R1.7 CCNc1nc(ns1)Br 1P027X9M [0,1,0,0,0,0|2,0,0]=3 357 B9R1.7 CCNc1ncc(s1)Cl 1P028YVE [0,1,0,0,0,0|1,0,0]=2 358 B9R1.7 CCNc1nnc(s1)S 1P00DIWP [0,1,0,0,0,0|2,0,0]=3 359 B9R1.7 CCNc1noc(c1)C 1P02104A [0,1,0,0,0,0|3,0,0]=4 360 B9R1.7 CCNc1scc(n1)C 1P01AKMO [0,1,0,0,0,0|1,0,0]=2 361 B9R1.7 CCOC1=CC(=O)CC1 1P003JU5 [0,1,0,0,0,0|2,0,1]=4 362 B9R1.7 CCOC1OC(=O)CS1 1P01C2WK [0,1,0,0,0,0|1,0,2]=4 363 B9R1.7 CCOc1[nH]nc(c1)C 1P00J2CV [0,1,0,0,0,0|2,0,1]=4 364 B9R1.7 CCOc1cc(n[nH]1)N 1P028S7P [0,1,0,0,0,0|2,0,1]=4 365 B9R1.7 CCOc1n[nH]c(c1)C 1P00CLRX [0,1,0,0,0,0|2,0,0]=3 366 B9R1.7 CCOc1nc(co1)Br 1P028BUL [0,1,0,0,0,0|0,1,0]=2 367 B9R1.7 CCOc1nc(cs1)Br 1P00BGP8 [0,1,0,0,0,0|0,0,0]=1 368 B9R1.7 CCOc1nc(cs1)Cl 1P01C3E2 [0,1,0,0,0,0|0,0,0]=1 369 B9R1.7 CCOc1nc(ns1)N 1P0086Z8 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.7 CCOc1nnc([nH]1)C 1P00GTG4 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.7 CCOc1nnc(s1)C 1P00B4W8 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.7 CCOc1nnc(s1)S 1P01EJ8K [0,1,0,0,0,0|1,0,0]=2 373 B9R1.7 CCSc1nc(n[nH]1)Br 1P008W10 [0,1,0,0,0,0|2,1,0]=4 374 B9R1.7 CCSc1nc(ns1)N 1P0080YW [0,1,0,0,0,0|1,1,0]=3 375 B9R1.7 CCSc1nnc(s1)N 1P003GXM [0,1,0,0,0,0|1,1,0]=3 376 B9R1.7 CCSc1nnc(s1)S 1P003HOU [0,1,0,0,0,0|1,1,0]=3 377 B9R1.7 CCSc1nsc(n1)N 1P005LNX [0,1,0,0,0,0|2,1,0]=4 378 B9R1.7 CNCc1[nH]cc(n1)C 1P00J3TH [0,1,0,0,0,0|3,0,0]=4 379 B9R1.7 CNCc1cc(cs1)Br 1P00G3BA [0,1,0,0,0,0|3,0,0]=4 380 B9R1.7 CNCc1cc(cs1)Cl 1P027V3U [0,1,0,0,0,0|3,0,0]=4 381 B9R1.7 CNCc1ccc(s1)Br 1P006D50 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.7 CNCc1ccc(s1)C 1P00GW4I [0,1,0,0,0,0|3,0,0]=4 383 B9R1.7 CNCc1ccc(s1)Cl 1P005T96 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.7 CNCc1nc(cs1)Br 1P027W22 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.7 CNCc1ncc(o1)C 1P027XJA [0,1,0,0,0,0|2,1,0]=4 386 B9R1.7 CNCc1ncc(s1)Br 1P028RIQ [0,1,0,0,0,0|2,0,0]=3 387 B9R1.7 CNCc1nnc(s1)C 1P01B7LA [0,1,0,0,0,0|3,0,0]=4 388 B9R1.7 CNCc1scc(c1)C 1P008A2T [0,1,0,0,0,0|3,0,0]=4 389 B9R1.7 CNCc1scc(n1)C 1P00EM18 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.7 CNCc1scc(n1)C 1P00J3SN [0,1,0,0,0,0|2,0,0]=3 391 B9R1.7 CNCc1snc(n1)C 1P028RKX [0,1,0,0,0,0|3,0,0]=4 392 B9R1.7 COCc1cc(cs1)Br 1P00HWPE [0,1,0,0,0,0|3,0,0]=4 393 B9R1.7 COCc1nnc(s1)Br 1P01DX00 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.7 COCc1nnc(s1)Cl 1P01A0RP [0,1,0,0,0,0|3,0,0]=4 395 B9R1.7 COCc1nnc(s1)N 1P001RDZ [0,1,0,0,0,0|3,0,0]=4 396 B9R1.7 COCc1nnc(s1)S 1P006M0W [0,1,0,0,0,0|3,0,0]=4 397 B9R1.7 CSCc1nnc(s1)O 1P01AFYW [0,1,0,0,0,0|3,0,0]=4 398 B9R1.7 Cc1cc(sc1)CCN 1P028915 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [0,1,0,0,0,0|3,0,0]=4 400 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,1,0,0,0,0|3,0,0]=4 402 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [0,1,0,0,0,0|3,0,0]=4 403 B9R1.7 Cc1cnc(s1)CCN 1P00JDK5 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.7 Cc1csc(n1)CC#N 1P002BKZ [0,1,0,0,0,0|2,0,1]=4 405 B9R1.7 Cc1csc(n1)CCN 1P00EERS [0,1,0,0,0,0|2,0,0]=3 406 B9R1.7 Cc1nnc(s1)CCN 1P00G51B [0,1,0,0,0,0|3,0,0]=4 407 B9R1.7 Cc1nnc(s1)CCO 1P00GMBV [0,1,0,0,0,0|3,0,0]=4 408 B9R1.7 NCCc1cc(cs1)Br 1P000EG0 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.7 NCCc1ccc(s1)Br 1P00H3HI [0,1,0,0,0,0|3,0,0]=4 410 B9R1.7 NCCc1ccc(s1)Cl 1P00DK83 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.7 NCCc1ccc(s1)I 1P01AA75 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,0,0,0|2,1,0]=4 413 B9R1.7 NCCc1ncc(s1)Br 1P01BCLS [0,1,0,0,0,0|2,0,0]=3 414 B9R1.7 NCCc1ncc(s1)C 1P01AI7W [0,1,0,0,0,0|2,0,0]=3 415 B9R1.7 NCCc1nnc(s1)C 1P00J1XW [0,1,0,0,0,0|3,0,0]=4 416 B9R1.7 OCCc1ccc(s1)Br 1P01DWYV [0,1,0,0,0,0|3,0,0]=4 417 B9R1.7 OCCc1ccc(s1)Cl 1P01EARD [0,1,0,0,0,0|3,0,0]=4 418 B9R1.7 OCCc1ncc(s1)Br 1P028YH4 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.7 ON=Cc1ncc(s1)Br 1P01FJYK [0,1,0,0,0,0|3,0,0]=4 420 B9R1.7 [N-]=[N+]=Nc1ncc(s1)Br 1P01GYOX [0,1,0,0,0,0|3,0,0]=4 421 B9R1.7 [N-]=[N+]=Nc1ncc(s1)C 1P028R80 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.11 BrCC(=O)c1cccs1 1P003H2I [0,1,0,0,0,0|3,0,0]=4 423 B9R1.11 BrCC(=O)c1nccs1 1P00BZYW [0,1,0,0,0,0|2,0,0]=3 424 B9R1.11 CCC(=O)c1cc[nH]n1 1P0282X4 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [0,1,0,0,0,0|2,0,1]=4 426 B9R1.11 CCC(=O)c1ccco1 1P003ID4 [0,1,0,0,0,0|2,1,0]=4 427 B9R1.11 CCC(=O)c1cccs1 1P0012U6 [0,1,0,0,0,0|2,0,0]=3 428 B9R1.11 CCC(=O)c1cocn1 1P028HDM [0,1,0,0,0,0|3,0,0]=4 429 B9R1.11 CCC(=O)c1ncc[nH]1 1P028BGR [0,1,0,0,0,0|2,0,0]=3 430 B9R1.11 CCC(=O)c1ncco1 1P028HER [0,1,0,0,0,0|1,1,0]=3 431 B9R1.11 CCC(=O)c1nccs1 1P003BQB [0,1,0,0,0,0|1,0,0]=2 432 B9R1.11 CCC(=O)c1nnc[nH]1 1P0287AH [0,1,0,0,0,0|3,0,0]=4 433 B9R1.11 CCC(C1=NCCS1)C 1P0033CF [0,1,0,0,0,0|1,0,2]=4 434 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [0,1,0,0,0,0|2,1,0]=4 435 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [0,1,0,0,0,0|2,0,0]=3 436 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.11 CCC(c1cocn1)N 1P028JJG [0,1,0,0,0,0|3,0,0]=4 438 B9R1.11 CCC(c1ncc[nH]1)N 1P019U6F [0,1,0,0,0,0|2,0,0]=3 439 B9R1.11 CCC(c1ncc[nH]1)O 1P01BFPD [0,1,0,0,0,0|2,0,0]=3 440 B9R1.11 CCC(c1nccs1)N 1P00DD9N [0,1,0,0,0,0|1,0,0]=2 441 B9R1.11 CCC(c1nccs1)N 1P00J1N8 [0,1,0,0,0,0|1,0,0]=2 442 B9R1.11 CCC(c1nccs1)N 1P0284QG [0,1,0,0,0,0|1,0,0]=2 443 B9R1.11 CCC(c1nccs1)O 1P0291G3 [0,1,0,0,0,0|1,0,0]=2 444 B9R1.11 CCC(c1ncsc1)N 1P01KLPF [0,1,0,0,0,0|3,0,0]=4 445 B9R1.11 CCC(c1nnc[nH]1)Cl 1P01FILM [0,1,0,0,0,0|3,0,0]=4 446 B9R1.11 CCC(c1nnc[nH]1)N 1P01AL0P [0,1,0,0,0,0|3,0,0]=4 447 B9R1.11 CCC(c1nnc[nH]1)O 1P01FIBZ [0,1,0,0,0,0|3,0,0]=4 448 B9R1.11 CCC(n1cccn1)C 1P01AOSY [0,1,0,0,0,0|3,0,0]=4 449 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [0,1,0,0,0,0|2,0,0]=3 450 B9R1.11 CC[C@@H](c1n[nH]cn1)N 1P028DWO [0,1,0,0,0,0|3,0,0]=4 451 B9R1.11 CC[C@H](c1n[nH]cn1)N 1P028DJG [0,1,0,0,0,0|3,0,0]=4 452 B9R1.11 CN=C(c1cccs1)Cl 1P00FCK1 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.11 CNC(=O)c1cccs1 1P00C8IU [0,1,0,0,0,0|3,0,0]=4 454 B9R1.11 CNC(c1cccs1)C 1P00201P [0,1,0,0,0,0|3,0,0]=4 455 B9R1.11 CNC(c1cccs1)C 1P00J3S0 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.11 CNC(c1nccs1)C 1P00J1AO [0,1,0,0,0,0|2,0,0]=3 457 B9R1.11 CNC(c1nccs1)C 1P028A6W [0,1,0,0,0,0|2,0,0]=3 458 B9R1.11 COC(=O)c1cccs1 1P003SJG [0,1,0,0,0,0|3,0,0]=4 459 B9R1.11 COC(=O)c1ncc[nH]1 1P001ZA3 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.11 COC(=O)c1ncc[nH]1 1P01BVZR [0,1,0,0,0,0|3,0,0]=4 461 B9R1.11 COC(=O)c1ncco1 1P00CJ9J [0,1,0,0,0,0|2,1,0]=4 462 B9R1.11 COC(=O)c1nccs1 1P0035MY [0,1,0,0,0,0|2,0,0]=3 463 B9R1.11 CSC(=N)c1cccs1 1P00IB3G [0,1,0,0,0,0|3,0,0]=4 464 B9R1.11 ClCC(=O)c1cccs1 1P002ZKT [0,1,0,0,0,0|3,0,0]=4 465 B9R1.11 N#CC(c1nccs1)C 1P009SDG [0,1,0,0,0,0|2,0,1]=4 466 B9R1.11 NCC(=O)c1nccs1 1P028BYG [0,1,0,0,0,0|2,0,0]=3 467 B9R1.11 NCC(=O)c1nccs1 1P028CE0 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.11 NCC(c1cccs1)C 1P01AKCV [0,1,0,0,0,0|3,0,0]=4 469 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.11 NCC(c1ncc[nH]1)C 1P01DXBZ [0,1,0,0,0,0|3,0,0]=4 471 B9R1.11 NCC(c1nccs1)C 1P01A7JT [0,1,0,0,0,0|2,0,0]=3 472 B9R1.11 NNC(=O)c1nccs1 1P001XS5 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.11 OCC(c1cccs1)N 1P00I4GJ [0,1,0,0,0,0|3,0,0]=4 474 B9R1.11 OCC(c1ncc[nH]1)C 1P001KIP [0,1,0,0,0,0|3,0,0]=4 475 B9R1.11 OCC(c1ncc[nH]1)N 1P01EMU4 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.11 OC[C@@H](c1nccs1)N 1P01XCY9 [0,1,0,0,0,0|2,0,0]=3 477 B9R1.11 OC[C@H](c1nccs1)N 1P024HDB [0,1,0,0,0,0|2,0,0]=3 478 B9R1.11 [NH3+]CC(=O)c1cccs1 1P00FI1W [0,1,0,0,0,0|3,0,0]=4 479 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,1,0,0,0,0|2,0,0]=3 480 B9R1.12 BrCCCc1n[nH]cn1 1P028867 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.12 BrCCCn1cccn1 1P0284KY [0,1,0,0,0,0|3,0,0]=4 482 B9R1.12 C#CCNc1nccs1 1P019TY4 [0,1,0,0,0,0|1,0,1]=3 483 B9R1.12 CCCCc1ccco1 1P003HAJ [0,1,0,0,0,0|2,1,0]=4 484 B9R1.12 CCCCc1cccs1 1P001DL3 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.12 CCCCn1cccn1 1P00DSOY [0,1,0,0,0,0|3,0,0]=4 487 B9R1.12 CCCCn1nccn1 1P028JUS [0,1,0,0,0,0|3,0,0]=4 488 B9R1.12 CCNCc1ccco1 1P001KUX [0,1,0,0,0,0|2,1,0]=4 489 B9R1.12 CCNCc1ccco1 1P019NKP [0,1,0,0,0,0|2,1,0]=4 490 B9R1.12 CCNCc1cccs1 1P003TG0 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.12 CCNCc1cccs1 1P019LNO [0,1,0,0,0,0|2,0,0]=3 492 B9R1.12 CCNCc1ncc[nH]1 1P021BUP [0,1,0,0,0,0|2,0,0]=3 493 B9R1.12 CCNCc1nccs1 1P01ALJ6 [0,1,0,0,0,0|1,0,0]=2 494 B9R1.12 CCOCc1ccco1 1P0037LZ [0,1,0,0,0,0|1,1,0]=3 495 B9R1.12 CCOCc1ncc[nH]1 1P0284KD [0,1,0,0,0,0|1,0,0]=2 496 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.12 CNCCc1cccs1 1P0083BL [0,1,0,0,0,0|2,0,0]=3 498 B9R1.12 CNCCc1nccs1 1P01A2UB [0,1,0,0,0,0|1,0,0]=2 499 B9R1.12 CNCCc1nocn1 1P00J31N [0,1,0,0,0,0|3,0,0]=4 500 B9R1.12 CNCCn1cccn1 1P01AHTQ [0,1,0,0,0,0|3,0,0]=4 501 B9R1.12 COCCc1cccs1 1P0284DO [0,1,0,0,0,0|2,0,0]=3 502 B9R1.12 COCCn1cccn1 1P01A1WG [0,1,0,0,0,0|3,0,0]=4 503 B9R1.12 COCOc1ccsn1 1P028ACA [0,1,0,0,0,0|2,0,0]=3 504 B9R1.12 ClCC#Cc1cccs1 1P01E42F [0,1,0,0,0,0|2,0,1]=4 505 B9R1.12 ClCCCc1ncn[nH]1 1P0280P0 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.12 ClCCCc1nnco1 1P01DVKW [0,1,0,0,0,0|2,1,0]=4 507 B9R1.12 ClCCCn1cccn1 1P00C8QV [0,1,0,0,0,0|3,0,0]=4 508 B9R1.12 ClCCCn1cccn1 1P00HISJ [0,1,0,0,0,0|3,0,0]=4 509 B9R1.12 ICCCc1cccs1 1P01FSKP [0,1,0,0,0,0|2,0,0]=3 510 B9R1.12 NCCCc1cc[nH]n1 1P01B1PA [0,1,0,0,0,0|3,0,0]=4 511 B9R1.12 NCCCc1ccco1 1P00DD6T [0,1,0,0,0,0|2,1,0]=4 512 B9R1.12 NCCCc1cccs1 1P00ELTB [0,1,0,0,0,0|2,0,0]=3 513 B9R1.12 NCCCc1cocn1 1P01DWF0 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.12 NCCCc1n[nH]cn1 1P01BI6Y [0,1,0,0,0,0|3,0,0]=4 515 B9R1.12 NCCCc1nc[nH]c1 1P00CMFZ [0,1,0,0,0,0|3,0,0]=4 516 B9R1.12 NCCCc1ncc[nH]1 1P00I72Q [0,1,0,0,0,0|2,0,0]=3 517 B9R1.12 NCCCc1ncco1 1P028613 [0,1,0,0,0,0|1,1,0]=3 518 B9R1.12 NCCCc1nccs1 1P00EELN [0,1,0,0,0,0|1,0,0]=2 519 B9R1.12 NCCCc1nccs1 1P00J3SR [0,1,0,0,0,0|1,0,0]=2 520 B9R1.12 NCCCc1ncno1 1P01A0EM [0,1,0,0,0,0|2,1,0]=4 521 B9R1.12 NCCCc1nnco1 1P01DXQT [0,1,0,0,0,0|2,1,0]=4 522 B9R1.12 NCCCc1scnn1 1P028ZCF [0,1,0,0,0,0|2,0,0]=3 523 B9R1.12 NCCCn1cccn1 1P005JEZ [0,1,0,0,0,0|3,0,0]=4 524 B9R1.12 NCCCn1cccn1 1P00J1KO [0,1,0,0,0,0|3,0,0]=4 525 B9R1.12 NCCCn1nccn1 1P01ATCT [0,1,0,0,0,0|3,0,0]=4 526 B9R1.12 NCCOc1cscc1 1P0280CL [0,1,0,0,0,0|3,0,0]=4 527 B9R1.12 NCCSc1ncn[nH]1 1P00J1T9 [0,1,0,0,0,0|2,1,0]=4 528 B9R1.12 O=CCCc1cccs1 1P002TCP [0,1,0,0,0,0|2,0,1]=4 529 B9R1.12 OCC#Cc1cccs1 1P01KCN4 [0,1,0,0,0,0|2,0,1]=4 530 B9R1.12 OCCCc1c[nH]cn1 1P00B2L0 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.12 OCCCc1ccco1 1P01A4WN [0,1,0,0,0,0|2,1,0]=4 532 B9R1.12 OCCCc1cccs1 1P003II9 [0,1,0,0,0,0|2,0,0]=3 533 B9R1.12 OCCCc1cncs1 1P01C61L [0,1,0,0,0,0|3,0,0]=4 534 B9R1.12 OCCCc1cscn1 1P0059GX [0,1,0,0,0,0|3,0,0]=4 535 B9R1.12 OCCCc1ncc[nH]1 1P028LAA [0,1,0,0,0,0|2,0,0]=3 536 B9R1.12 OCCCc1ncco1 1P028P3G [0,1,0,0,0,0|1,1,0]=3 537 B9R1.12 OCCCc1ncn[nH]1 1P0290L1 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.12 OCCCn1cccn1 1P0022R3 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.12 OCCNc1nccs1 1P021MDM [0,1,0,0,0,0|1,0,0]=2 540 B9R1.12 OCCSc1ncc[nH]1 1P01DVPL [0,1,0,0,0,0|1,1,0]=3 541 B9R1.12 [N-]=[N+]=NCc1nccs1 1P01BDV8 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [0,1,0,0,0,0|2,0,1]=4 543 B9R1.13 CC(=O)Nc1cccs1 1P000V1D [0,1,0,0,0,0|2,0,1]=4 544 B9R1.13 CC(=O)Nc1nccs1 1P00BCTQ [0,1,0,0,0,0|1,0,1]=3 545 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [0,1,0,0,0,0|3,0,0]=4 546 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [0,1,0,0,0,0|2,1,0]=4 547 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,1,0,0,0,0|2,1,0]=4 548 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [0,1,0,0,0,0|2,0,0]=3 549 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [0,1,0,0,0,0|2,0,0]=3 550 B9R1.13 CC(Cc1n[nH]cn1)N 1P027UH0 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [0,1,0,0,0,0|2,0,0]=3 553 B9R1.13 CC(Cc1ncc[nH]1)O 1P01A054 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.13 CC(Cc1ncc[nH]1)O 1P028WTT [0,1,0,0,0,0|2,0,0]=3 555 B9R1.13 CC(Cc1nccs1)C 1P003BP9 [0,1,0,0,0,0|1,0,0]=2 556 B9R1.13 CC(Cn1cccn1)C 1P00ICQU [0,1,0,0,0,0|3,0,0]=4 557 B9R1.13 CC(Cn1cccn1)O 1P019Z2N [0,1,0,0,0,0|3,0,0]=4 558 B9R1.13 CC(Sc1ncc[nH]1)C 1P01BD6K [0,1,0,0,0,0|1,1,0]=3 559 B9R1.13 CN(Cc1ncc[nH]1)C 1P00DGEJ [0,1,0,0,0,0|3,0,0]=4 560 B9R1.13 CN(Nc1nccs1)C 1P01BH76 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [0,1,0,0,0,0|3,0,0]=4 562 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [0,1,0,0,0,0|1,1,0]=3 563 B9R1.13 FC(Oc1ccon1)F 1P01B1SQ [0,1,0,0,0,0|3,0,0]=4 564 B9R1.13 NC(=S)Cc1nccs1 1P024MFT [0,1,0,0,0,0|2,0,1]=4 565 B9R1.13 OC(=O)Cc1nccs1 1P002I1D [0,1,0,0,0,0|2,0,1]=4 566 B9R1.13 [O-]C(=O)Cc1nccs1 1P019UGE [0,1,0,0,0,0|2,0,1]=4 567 B9R1.33 BrCCc1nccn1C 1P01BAET [0,1,0,0,0,0|3,0,0]=4 568 B9R1.33 CCCn1nccc1C 1P00D199 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.33 CCCn1nccc1I 1P01APA2 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.33 CCCn1nccc1N 1P00C0K7 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.33 CCCn1nccc1N 1P01FJXB [0,1,0,0,0,0|3,0,0]=4 572 B9R1.33 CCOc1n[nH]cc1I 1P00947D [0,1,0,0,0,0|2,0,0]=3 573 B9R1.33 CCOc1nscc1Br 1P027V3F [0,1,0,0,0,0|2,0,0]=3 574 B9R1.33 CCOc1ocnc1C 1P006WTJ [0,1,0,0,0,0|2,1,0]=4 575 B9R1.33 CNCc1nccn1C 1P00EAI3 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.33 CNCc1nccn1C 1P00HAXR [0,1,0,0,0,0|3,0,0]=4 577 B9R1.33 CNCc1sccc1Br 1P019UHJ [0,1,0,0,0,0|3,0,0]=4 578 B9R1.33 CNCc1sccc1C 1P00IECX [0,1,0,0,0,0|3,0,0]=4 579 B9R1.33 CNCc1sccc1Cl 1P027WYE [0,1,0,0,0,0|3,0,0]=4 580 B9R1.33 COCc1nccn1C 1P01EJ3H [0,1,0,0,0,0|3,0,0]=4 581 B9R1.33 COCc1sccc1Br 1P0009TG [0,1,0,0,0,0|3,0,0]=4 582 B9R1.33 ClCCc1nccn1C 1P00J2XE [0,1,0,0,0,0|3,0,0]=4 583 B9R1.33 NCCc1nccn1C 1P00J2CY [0,1,0,0,0,0|3,0,0]=4 584 B9R1.33 NCCc1sccc1Br 1P01BU9B [0,1,0,0,0,0|3,0,0]=4 585 B9R1.33 NCCc1sccc1C 1P01A4W7 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.33 NCCc1sccc1Cl 1P027WT4 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.33 NCCc1sccc1F 1P0291IN [0,1,0,0,0,0|3,0,0]=4 588 B9R1.33 OCCc1nccn1C 1P00B76R [0,1,0,0,0,0|3,0,0]=4 589 B9R1.33 OCCc1sccc1Br 1P009JN1 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.33 OCCc1sccc1C 1P01DW6N [0,1,0,0,0,0|3,0,0]=4 591 B7R0.1 CCC=CC=CC=O 1P00E9KG [0,0,1,0,0,0|2,1,0]=4 592 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [0,0,1,0,0,0|2,1,0]=4 593 B7R0.7 CC(=NC#N)OCC 1P001OP5 [0,0,1,0,0,0|2,0,1]=4 594 B7R0.7 CCCC(=N)OCC 1P00JTEH [0,0,1,0,0,0|1,0,2]=4 595 B7R0.7 CCOC(=N)CC#N 1P00IY7P [0,0,1,0,0,0|2,0,1]=4 596 B7R0.7 CCOC(=O)C=C=C 1P001INI [0,0,1,0,0,0|1,1,1]=4 597 B7R0.7 CCOC(=O)C=CF 1P01ALA8 [0,0,1,0,0,0|2,1,0]=4 598 B7R0.7 CCOC(=O)CC=C 1P001WAA [0,0,1,0,0,0|1,1,0]=3 599 B7R0.7 CCOC(=O)CC=O 1P0037SO [0,0,1,0,0,0|2,1,0]=4 600 B7R0.7 CCOC(=O)N=C=O 1P003QFK [0,0,1,0,0,0|1,1,1]=4 601 B7R0.7 CCOC(=O)N=C=S 1P001WDH [0,0,1,0,0,0|1,1,1]=4 602 B7R0.7 CCOC(=O)\C=C/Br 1P003QVA [0,0,1,0,0,0|2,1,0]=4 603 B7R0.7 CCOC(=O)\C=C/Cl 1P001VL0 [0,0,1,0,0,0|2,1,0]=4 604 B7R0.7 CCOC(=O)\C=C/I 1P003PFH [0,0,1,0,0,0|2,1,0]=4 605 B7R0.7 CCOC(=O)\C=C\C 1P00IKXM [0,0,1,0,0,0|1,1,1]=4 606 B7R0.7 CCOC(=O)\C=C\I 1P00C1GJ [0,0,1,0,0,0|2,1,0]=4 607 B7R0.7 CCOC(=S)SCC 1P00E9ND [0,0,1,0,0,0|1,0,2]=4 608 B7R0.7 COCC(=N)OCC 1P01EIR8 [0,0,1,0,0,0|2,0,1]=4 609 B7R0.7 CSCC(=N)OCC 1P028M5K [0,0,1,0,0,0|2,0,1]=4 610 B7R0.7 ClCCC(=N)OCC 1P00C39N [0,0,1,0,0,0|2,0,1]=4 611 B7R0.7 [O-]C=CC(=O)OCC 1P0039OA [0,0,1,0,0,0|2,1,0]=4 612 B9R2.2 C1CC1c2cc[nH]n2 1P0001GU [0,0,0,1,0,0|3,0,0]=4 613 B9R2.2 C1CC1c2ncoc2 1P01B5RR [0,0,0,1,0,0|3,0,0]=4 614 B9R2.2 C1CC1c2ncsc2 1P003LQO [0,0,0,1,0,0|3,0,0]=4 615 B9R2.2 C1CC1c2ocnn2 1P028AEH [0,0,0,1,0,0|2,1,0]=4 616 B9R2.2 C1CC1c2scnc2 1P027TX6 [0,0,0,1,0,0|3,0,0]=4 617 B9R2.2 c1[nH]nc(n1)C2CC2 1P008VQS [0,0,0,1,0,0|3,0,0]=4 618 B9R2.2 c1cnc([nH]1)C2CC2 1P0033QT [0,0,0,1,0,0|2,0,0]=3 619 B9R2.2 c1cnn(c1)C2CC2 1P000GUI [0,0,0,1,0,0|3,0,0]=4 620 B9R2.2 c1cnn(c1)C2CC2 1P027YLP [0,0,0,1,0,0|3,0,0]=4 621 B9R2.2 c1coc(c1)C2CC2 1P01C3DJ [0,0,0,1,0,0|2,1,0]=4 622 B9R2.2 c1coc(n1)C2CC2 1P01BWAC [0,0,0,1,0,0|1,1,0]=3 623 B9R2.2 c1csc(c1)C2CC2 1P002YYV [0,0,0,1,0,0|2,0,0]=3 624 B9R2.2 c1csc(n1)C2CC2 1P01B691 [0,0,0,1,0,0|1,0,0]=2 625 B9R2.3 C1CNc2n1ccn2 1P0064J6 [0,0,0,1,0,0|2,0,0]=3 626 B9R2.3 C1Cc2c(C1)nc[nH]2 1P00HAT4 [0,0,0,1,0,0|3,0,0]=4 627 B9R2.3 C1Cc2c(C1)ncs2 1P00EGBX [0,0,0,1,0,0|3,0,0]=4 628 B9R2.3 C1Cn2c(C1)ccn2 1P0084OX [0,0,0,1,0,0|3,0,0]=4 629 B9R2.3 C1Cn2c(C1)ncc2 1P00ED6Y [0,0,0,1,0,0|2,0,0]=3 630 B9R2.3 C1Cn2c(C1)ncn2 1P00I3W5 [0,0,0,1,0,0|3,0,0]=4 631 B9R2.3 C1Cn2c(C1)nnc2 1P00J2VG [0,0,0,1,0,0|3,0,0]=4 632 B9R1.8 BrCCc1ccccn1 1P0033B6 [0,0,0,0,0,1|3,0,0]=4 633 B9R1.8 BrCCc1cccnc1 1P00CJF9 [0,0,0,0,0,1|3,0,0]=4 634 B9R1.8 BrCCc1cnccn1 1P01DYXQ [0,0,0,0,0,1|3,0,0]=4 635 B9R1.8 C=COc1cccnc1 1P009TFJ [0,0,0,0,0,1|1,0,2]=4 636 B9R1.8 CCCc1ccccc1 1P003UGP [0,0,0,0,0,1|3,0,0]=4 637 B9R1.8 CCCc1ccccn1 1P003IDJ [0,0,0,0,0,1|2,0,0]=3 638 B9R1.8 CCCc1cccnc1 1P00DG48 [0,0,0,0,0,1|2,0,0]=3 639 B9R1.8 CCCc1cccnn1 1P01ANOM [0,0,0,0,0,1|2,0,0]=3 640 B9R1.8 CCCc1ccncc1 1P003MH0 [0,0,0,0,0,1|3,0,0]=4 641 B9R1.8 CCCc1cnccn1 1P003BQC [0,0,0,0,0,1|2,0,0]=3 642 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [0,0,0,0,0,1|2,0,0]=3 643 B9R1.8 CCNc1ccccc1 1P0035UD [0,0,0,0,0,1|3,0,0]=4 644 B9R1.8 CCNc1ccccn1 1P003FIU [0,0,0,0,0,1|2,0,0]=3 645 B9R1.8 CCNc1cccnc1 1P00CN8W [0,0,0,0,0,1|2,0,0]=3 646 B9R1.8 CCNc1ccncc1 1P00I7EH [0,0,0,0,0,1|3,0,0]=4 647 B9R1.8 CCNc1ccnnc1 1P01BTY6 [0,0,0,0,0,1|3,0,0]=4 648 B9R1.8 CCNc1cnccn1 1P00F7WN [0,0,0,0,0,1|2,0,0]=3 649 B9R1.8 CCNc1cncnc1 1P01DWEC [0,0,0,0,0,1|3,0,0]=4 650 B9R1.8 CCNc1ncccn1 1P00FGHQ [0,0,0,0,0,1|2,0,0]=3 651 B9R1.8 CCOC1=NCCCC1 1P006V1V [0,0,0,0,0,1|1,0,2]=4 652 B9R1.8 CCOC1CCC=CO1 1P003HMH [0,0,0,0,0,1|1,1,1]=4 653 B9R1.8 CCOc1ccccc1 1P003U4U [0,0,0,0,0,1|2,0,0]=3 654 B9R1.8 CCOc1ccccn1 1P001L8A [0,0,0,0,0,1|1,0,0]=2 655 B9R1.8 CCOc1cccnc1 1P00ANFG [0,0,0,0,0,1|1,0,0]=2 656 B9R1.8 CCOc1cccnn1 1P003HNA [0,0,0,0,0,1|1,0,0]=2 657 B9R1.8 CCOc1ccncc1 1P00C0Z1 [0,0,0,0,0,1|2,0,0]=3 658 B9R1.8 CCSc1ccccc1 1P003QX8 [0,0,0,0,0,1|2,1,0]=4 659 B9R1.8 CCSc1ccccn1 1P002EQQ [0,0,0,0,0,1|1,1,0]=3 660 B9R1.8 CNCc1ccccn1 1P002L6V [0,0,0,0,0,1|3,0,0]=4 661 B9R1.8 CNCc1ccccn1 1P00H9TS [0,0,0,0,0,1|3,0,0]=4 662 B9R1.8 CNCc1cccnc1 1P003IN0 [0,0,0,0,0,1|3,0,0]=4 663 B9R1.8 CNCc1cccnc1 1P00JLQD [0,0,0,0,0,1|3,0,0]=4 664 B9R1.8 CNCc1cccnn1 1P01B717 [0,0,0,0,0,1|3,0,0]=4 665 B9R1.8 CNCc1ccncn1 1P00J3UF [0,0,0,0,0,1|3,0,0]=4 666 B9R1.8 CNCc1cnccn1 1P0081AR [0,0,0,0,0,1|3,0,0]=4 667 B9R1.8 CNCc1ncccn1 1P007VAV [0,0,0,0,0,1|3,0,0]=4 668 B9R1.8 CNCc1ncccn1 1P00ILX1 [0,0,0,0,0,1|3,0,0]=4 669 B9R1.8 CNCc1ncccn1 1P01DIF5 [0,0,0,0,0,1|3,0,0]=4 670 B9R1.8 COCc1ccccn1 1P002O7L [0,0,0,0,0,1|3,0,0]=4 671 B9R1.8 CSCc1ccccn1 1P00K0NO [0,0,0,0,0,1|3,0,0]=4 672 B9R1.8 CSCc1cccnc1 1P01DX2J [0,0,0,0,0,1|3,0,0]=4 673 B9R1.8 C\C=C\c1cnccn1 1P027XHC [0,0,0,0,0,1|2,0,1]=4 674 B9R1.8 ClCCc1ccccn1 1P00AQES [0,0,0,0,0,1|3,0,0]=4 675 B9R1.8 ClCCc1ccccn1 1P00CB7K [0,0,0,0,0,1|3,0,0]=4 676 B9R1.8 ClCCc1cccnc1 1P00CLVG [0,0,0,0,0,1|3,0,0]=4 677 B9R1.8 ICCc1cccnc1 1P01APKH [0,0,0,0,0,1|3,0,0]=4 678 B9R1.8 NCCc1ccccn1 1P0033BC [0,0,0,0,0,1|3,0,0]=4 679 B9R1.8 NCCc1cccnc1 1P0031LS [0,0,0,0,0,1|3,0,0]=4 680 B9R1.8 NCCc1cccnc1 1P007RI3 [0,0,0,0,0,1|3,0,0]=4 681 B9R1.8 NCCc1cccnc1 1P00G4HF [0,0,0,0,0,1|3,0,0]=4 682 B9R1.8 NCCc1ccncn1 1P00G8NQ [0,0,0,0,0,1|3,0,0]=4 683 B9R1.8 NCCc1cnccn1 1P00D8UG [0,0,0,0,0,1|3,0,0]=4 684 B9R1.8 NCCc1cnccn1 1P00HZ0H [0,0,0,0,0,1|3,0,0]=4 685 B9R1.8 NCCc1ncccn1 1P00IKQC [0,0,0,0,0,1|3,0,0]=4 686 B9R1.8 OCCc1ccccn1 1P0038HY [0,0,0,0,0,1|3,0,0]=4 687 B9R1.8 OCCc1cccnc1 1P003FB1 [0,0,0,0,0,1|3,0,0]=4 688 B9R1.8 OCCc1ccncn1 1P005N7W [0,0,0,0,0,1|3,0,0]=4 689 B9R1.8 OCCc1cnccn1 1P003F8L [0,0,0,0,0,1|3,0,0]=4 690 B9R1.8 OCCc1ncccn1 1P000AX7 [0,0,0,0,0,1|3,0,0]=4 691 B9R1.8 SCCc1ccccn1 1P0029Y7 [0,0,0,0,0,1|3,0,0]=4 692 B9R1.8 SCCc1cnccn1 1P003C4B [0,0,0,0,0,1|3,0,0]=4 693 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,1,0,0,0|1,1,0]=4 694 B6R0.6 CCOC=CCC 1P003EMN [1,0,1,0,0,0|1,0,1]=4 695 B6R0.6 CCOCCC=C 1P028AU6 [1,0,1,0,0,0|1,0,1]=4 696 B6R0.6 CCO\C=C\C#N 1P003JUC [1,0,1,0,0,0|0,0,2]=4 697 B6R0.6 CCO\C=N/C#N 1P00E04G [1,0,1,0,0,0|1,0,1]=4 698 B6R0.1 CC(=NO)OCC 1P008RN1 [1,0,1,0,0,0|1,0,1]=4 699 B6R0.1 CCCC(=O)C=C 1P001TZV [1,0,1,0,0,0|1,1,0]=4 700 B6R0.1 CCNC(=O)C=C 1P003TGQ [1,0,1,0,0,0|1,1,0]=4 701 B6R0.1 CCOC(=C)C#N 1P0074YR [1,0,1,0,0,0|2,0,0]=4 702 B6R0.1 CCOC(=N)CC 1P00CNWY [1,0,1,0,0,0|0,0,2]=4 703 B6R0.1 CCOC(=N)CCl 1P0037RI [1,0,1,0,0,0|1,0,1]=4 704 B6R0.1 CCOC(=O)C=C 1P001CEZ [1,0,1,0,0,0|0,1,0]=3 705 B6R0.1 CCOC(=O)C=O 1P0035CW [1,0,1,0,0,0|1,1,0]=4 706 B6R0.1 COC(=O)CC=C 1P0035NF [1,0,1,0,0,0|1,1,0]=4 707 B6R0.1 COC(=O)NC=C 1P007K95 [1,0,1,0,0,0|0,1,1]=4 708 B6R1.2 Brc1cccs1 1P0001YI [2,0,0,0,0,0|2,0,0]=4 709 B6R1.2 Brc1ncc[nH]1 1P0038GT [2,0,0,0,0,0|2,0,0]=4 710 B6R1.2 Brc1ncc[nH]1 1P01ELJO [2,0,0,0,0,0|2,0,0]=4 711 B6R1.2 Brc1ncco1 1P000O9T [2,0,0,0,0,0|1,1,0]=4 712 B6R1.2 Brc1ncco1 1P01AC0E [2,0,0,0,0,0|1,1,0]=4 713 B6R1.2 Brc1nccs1 1P00309X [2,0,0,0,0,0|1,0,0]=3 714 B6R1.2 Brc1ncns1 1P00DIBD [2,0,0,0,0,0|2,0,0]=4 715 B6R1.2 Brc1nncs1 1P0033LG [2,0,0,0,0,0|2,0,0]=4 716 B6R1.2 CC1=NCCS1 1P002NSB [2,0,0,0,0,0|0,0,2]=4 717 B6R1.2 Cc1[n-]ccn1 1P00EFKI [2,0,0,0,0,0|1,0,0]=3 718 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|2,0,0]=4 719 B6R1.2 Cc1cc[nH]n1 1P001L8I [2,0,0,0,0,0|2,0,0]=4 720 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,1]=4 721 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|1,1,0]=4 722 B6R1.2 Cc1ccns1 1P00FD3O [2,0,0,0,0,0|2,0,0]=4 723 B6R1.2 Cc1ccon1 1P0031XW [2,0,0,0,0,0|2,0,0]=4 724 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|2,0,0]=4 725 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|2,0,0]=4 726 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|2,0,0]=4 727 B6R1.2 Cc1n[nH]cn1 1P00347N [2,0,0,0,0,0|2,0,0]=4 728 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|1,0,0]=3 729 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|1,0,0]=3 730 B6R1.2 Cc1ncco1 1P002MBP [2,0,0,0,0,0|0,1,0]=3 731 B6R1.2 Cc1nccs1 1P003I7G [2,0,0,0,0,0|0,0,0]=2 732 B6R1.2 Cc1nnco1 1P0033UG [2,0,0,0,0,0|1,1,0]=4 733 B6R1.2 Clc1cccs1 1P0033WN [2,0,0,0,0,0|2,0,0]=4 734 B6R1.2 Clc1ncc[nH]1 1P001TQY [2,0,0,0,0,0|2,0,0]=4 735 B6R1.2 Clc1ncco1 1P01C0J0 [2,0,0,0,0,0|1,1,0]=4 736 B6R1.2 Clc1nccs1 1P00309Y [2,0,0,0,0,0|1,0,0]=3 737 B6R1.2 Clc1ncns1 1P007AF2 [2,0,0,0,0,0|2,0,0]=4 738 B6R1.2 Clc1nncs1 1P00DIEM [2,0,0,0,0,0|2,0,0]=4 739 B6R1.2 Cn1cccn1 1P003EXX [2,0,0,0,0,0|2,0,0]=4 740 B6R1.2 Cn1nccn1 1P002IJT [2,0,0,0,0,0|2,0,0]=4 741 B6R1.2 Fc1cccs1 1P00BYBL [2,0,0,0,0,0|2,0,0]=4 742 B6R1.2 Fc1ncc[nH]1 1P00CM2R [2,0,0,0,0,0|2,0,0]=4 743 B6R1.2 Fc1nccs1 1P00BI23 [2,0,0,0,0,0|1,0,0]=3 744 B6R1.2 Ic1cccs1 1P0033TX [2,0,0,0,0,0|2,0,0]=4 745 B6R1.2 Ic1ncc[nH]1 1P00309S [2,0,0,0,0,0|2,0,0]=4 746 B6R1.2 Ic1ncco1 1P00IF7W [2,0,0,0,0,0|1,1,0]=4 747 B6R1.2 Ic1nccs1 1P00309W [2,0,0,0,0,0|1,0,0]=3 748 B6R1.2 Ic1nncs1 1P00CB6F [2,0,0,0,0,0|2,0,0]=4 749 B6R1.2 N=c1scc[nH]1 1P00IK6V [2,0,0,0,0,0|1,0,1]=4 750 B6R1.2 Nc1ncc[nH]1 1P001KWS [2,0,0,0,0,0|2,0,0]=4 751 B6R1.2 Nc1ncc[nH]1 1P00338E [2,0,0,0,0,0|2,0,0]=4 752 B6R1.2 Nc1ncco1 1P0033L1 [2,0,0,0,0,0|1,1,0]=4 753 B6R1.2 Nc1nccs1 1P00IBBT [2,0,0,0,0,0|1,0,0]=3 754 B6R1.2 Nc1ncns1 1P001RDR [2,0,0,0,0,0|2,0,0]=4 755 B6R1.2 Nc1ncns1 1P003DRQ [2,0,0,0,0,0|2,0,0]=4 756 B6R1.2 Nc1ncns1 1P008QCV [2,0,0,0,0,0|2,0,0]=4 757 B6R1.2 Nc1nncs1 1P0033JF [2,0,0,0,0,0|2,0,0]=4 758 B6R1.2 O=c1scc[nH]1 1P00F3MD [2,0,0,0,0,0|0,0,2]=4 759 B6R1.2 Oc1c[nH]cn1 1P0063WX [2,0,0,0,0,0|2,0,0]=4 760 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [2,0,0,0,0,0|2,0,0]=4 761 B6R1.2 Oc1cccs1 1P007WJZ [2,0,0,0,0,0|1,0,0]=3 762 B6R1.2 Oc1nccs1 1P00G7GQ [2,0,0,0,0,0|0,0,0]=2 763 B6R1.2 Oc1ncn[nH]1 1P0017LF [2,0,0,0,0,0|2,0,0]=4 764 B6R1.2 On1cccn1 1P0056CG [2,0,0,0,0,0|2,0,0]=4 765 B6R1.2 S=c1scc[nH]1 1P00E939 [2,0,0,0,0,0|0,1,1]=4 766 B6R1.2 S=c1sccs1 1P003BGZ [2,0,0,0,0,0|1,1,0]=4 767 B6R1.2 Sc1cccs1 1P003IEZ [2,0,0,0,0,0|1,1,0]=4 768 B6R1.2 Sc1nccs1 1P00IDP6 [2,0,0,0,0,0|0,1,0]=3 769 B6R1.2 Sc1nncs1 1P003HYN [2,0,0,0,0,0|1,1,0]=4 770 B8R0.1 CCOC(=O)\C=C\C=O 1P002ZBY [0,1,1,0,0,0|1,1,0]=4 771 B8R0.3 CCOC(=O)C(C=C)O 1P01C5GN [0,1,1,0,0,0|1,1,0]=4 772 B8R0.5 CCOC(=O)CC(=C)Br 1P027YVN [0,1,1,0,0,0|1,1,0]=4 773 B8R1.1 BrCc1ccc(s1)Br 1P00EE3T [1,1,0,0,0,0|2,0,0]=4 774 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [1,1,0,0,0,0|1,0,0]=3 775 B8R1.1 BrCc1scc(c1)Br 1P00GAGV [1,1,0,0,0,0|2,0,0]=4 776 B8R1.1 BrCc1scc(n1)Br 1P02843G [1,1,0,0,0,0|1,0,0]=3 777 B8R1.1 Brc1cnc(s1)C#N 1P000Q5K [1,1,0,0,0,0|1,0,1]=4 778 B8R1.1 Brc1cnc(s1)C=O 1P006GO2 [1,1,0,0,0,0|1,0,1]=4 779 B8R1.1 Brc1csc(n1)C#C 1P028WGJ [1,1,0,0,0,0|0,0,2]=4 780 B8R1.1 Brc1csc(n1)C#N 1P0005YI [1,1,0,0,0,0|1,0,1]=4 781 B8R1.1 Brc1csc(n1)C=O 1P001XSM [1,1,0,0,0,0|1,0,1]=4 782 B8R1.1 CCC1=NOC(=O)C1 1P027OCY [1,1,0,0,0,0|2,0,0]=4 783 B8R1.1 CCc1[nH]nc(n1)C 1P01AIUA [1,1,0,0,0,0|2,0,0]=4 784 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [1,1,0,0,0,0|2,0,0]=4 785 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [1,1,0,0,0,0|1,0,0]=3 787 B8R1.1 CCc1cc(on1)Br 1P01DVPO [1,1,0,0,0,0|2,0,0]=4 788 B8R1.1 CCc1cc(on1)Cl 1P01DVPE [1,1,0,0,0,0|2,0,0]=4 789 B8R1.1 CCc1cc(on1)N 1P00G4UP [1,1,0,0,0,0|2,0,0]=4 790 B8R1.1 CCc1cc(on1)O 1P01XCDU [1,1,0,0,0,0|2,0,0]=4 791 B8R1.1 CCc1ccc(o1)C 1P0039DO [1,1,0,0,0,0|1,1,0]=4 792 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [1,1,0,0,0,0|1,0,0]=3 793 B8R1.1 CCc1ccc(s1)C 1P003HNV [1,1,0,0,0,0|1,0,0]=3 794 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [1,1,0,0,0,0|1,0,0]=3 796 B8R1.1 CCc1ccn(n1)C 1P00I66E [1,1,0,0,0,0|2,0,0]=4 797 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [1,1,0,0,0,0|2,0,0]=4 798 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.1 CCc1cnc(s1)N 1P0037QG [1,1,0,0,0,0|2,0,0]=4 800 B8R1.1 CCc1cnc(s1)N 1P01CD9U [1,1,0,0,0,0|2,0,0]=4 801 B8R1.1 CCc1coc(n1)Br 1P01BB5C [1,1,0,0,0,0|2,0,0]=4 802 B8R1.1 CCc1coc(n1)I 1P02928W [1,1,0,0,0,0|2,0,0]=4 803 B8R1.1 CCc1coc(n1)N 1P01B8TQ [1,1,0,0,0,0|2,0,0]=4 804 B8R1.1 CCc1csc(n1)Br 1P00GUYM [1,1,0,0,0,0|2,0,0]=4 805 B8R1.1 CCc1csc(n1)Cl 1P00H739 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.1 CCc1csc(n1)F 1P01BTYJ [1,1,0,0,0,0|2,0,0]=4 807 B8R1.1 CCc1csc(n1)N 1P00C90S [1,1,0,0,0,0|2,0,0]=4 808 B8R1.1 CCc1csc(n1)N 1P00J3VY [1,1,0,0,0,0|2,0,0]=4 809 B8R1.1 CCc1n[nH]c(=S)o1 1P01EIR5 [1,1,0,0,0,0|1,1,0]=4 810 B8R1.1 CCc1n[nH]c(=S)s1 1P0078UZ [1,1,0,0,0,0|1,0,0]=3 811 B8R1.1 CCc1n[nH]c(n1)Br 1P001Q66 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [1,1,0,0,0,0|0,0,0]=2 813 B8R1.1 CCc1nc(n[nH]1)Cl 1P00JDFR [1,1,0,0,0,0|2,0,0]=4 814 B8R1.1 CCc1nc(n[nH]1)N 1P0036NB [1,1,0,0,0,0|2,0,0]=4 815 B8R1.1 CCc1nc(n[nH]1)S 1P005QA2 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.1 CCc1nc(no1)Br 1P009E8L [1,1,0,0,0,0|1,1,0]=4 817 B8R1.1 CCc1nc(no1)Cl 1P009EEQ [1,1,0,0,0,0|1,1,0]=4 818 B8R1.1 CCc1nc(no1)N 1P00HZZ7 [1,1,0,0,0,0|1,1,0]=4 819 B8R1.1 CCc1nc(ns1)N 1P01FJXL [1,1,0,0,0,0|1,0,0]=3 820 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [1,1,0,0,0,0|1,0,0]=3 821 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [1,1,0,0,0,0|1,0,0]=3 822 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [1,1,0,0,0,0|1,0,0]=3 823 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [1,1,0,0,0,0|0,1,0]=3 824 B8R1.1 CCc1ncn(c1)C 1P01C101 [1,1,0,0,0,0|2,0,0]=4 825 B8R1.1 CCc1nnc(o1)Br 1P023OH3 [1,1,0,0,0,0|1,1,0]=4 826 B8R1.1 CCc1nnc(o1)Cl 1P01DZ5Z [1,1,0,0,0,0|1,1,0]=4 827 B8R1.1 CCc1nnc(o1)N 1P00C964 [1,1,0,0,0,0|1,1,0]=4 828 B8R1.1 CCc1nnc(o1)O 1P00D3D6 [1,1,0,0,0,0|1,1,0]=4 829 B8R1.1 CCc1nnc(s1)Br 1P00EG7Z [1,1,0,0,0,0|1,0,0]=3 830 B8R1.1 CCc1nnc(s1)Cl 1P005Q27 [1,1,0,0,0,0|1,0,0]=3 831 B8R1.1 CCc1nnc(s1)I 1P01DVUL [1,1,0,0,0,0|1,0,0]=3 832 B8R1.1 CCc1nnc(s1)N 1P001D5E [1,1,0,0,0,0|1,0,0]=3 833 B8R1.1 CCc1nnc(s1)O 1P00HT7G [1,1,0,0,0,0|1,0,0]=3 834 B8R1.1 CCc1noc(n1)N 1P00C8OI [1,1,0,0,0,0|2,0,0]=4 835 B8R1.1 CCc1noc(n1)O 1P00J2XM [1,1,0,0,0,0|2,0,0]=4 836 B8R1.1 CCc1nsc(n1)Br 1P01B70H [1,1,0,0,0,0|2,0,0]=4 837 B8R1.1 CCc1nsc(n1)Cl 1P0004JT [1,1,0,0,0,0|2,0,0]=4 838 B8R1.1 CCc1nsc(n1)S 1P019ZJX [1,1,0,0,0,0|2,0,0]=4 839 B8R1.1 CCc1scc(n1)C 1P001PGP [1,1,0,0,0,0|0,0,0]=2 840 B8R1.1 CCn1cc(cn1)Br 1P003LBJ [1,1,0,0,0,0|2,0,0]=4 841 B8R1.1 CCn1cc(cn1)I 1P00AMGK [1,1,0,0,0,0|2,0,0]=4 842 B8R1.1 CCn1cc(cn1)N 1P0036S6 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.1 CCn1cc(cn1)N 1P00J3H6 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.1 CCn1cc(cn1)O 1P005AYJ [1,1,0,0,0,0|2,0,0]=4 845 B8R1.1 CCn1cc(cn1)S 1P02895I [1,1,0,0,0,0|2,0,0]=4 846 B8R1.1 CCn1ccc(n1)Br 1P009BLV [1,1,0,0,0,0|2,0,0]=4 847 B8R1.1 CCn1ccc(n1)C 1P0030KV [1,1,0,0,0,0|2,0,0]=4 848 B8R1.1 CCn1ccc(n1)C 1P01C0XS [1,1,0,0,0,0|2,0,0]=4 849 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.1 CCn1ccc(n1)N 1P00D912 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.1 CCn1ccc(n1)O 1P01DT9N [1,1,0,0,0,0|2,0,0]=4 852 B8R1.1 CCn1ncc(c1)C 1P01APCE [1,1,0,0,0,0|2,0,0]=4 853 B8R1.1 CCn1ncc(c1)N 1P00J2DM [1,1,0,0,0,0|2,0,0]=4 854 B8R1.1 CCn1ncc(n1)Br 1P01ALXM [1,1,0,0,0,0|2,0,0]=4 855 B8R1.1 CCn1ncc(n1)N 1P00J1N4 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.1 CCn1ncc(n1)N 1P01DRNT [1,1,0,0,0,0|2,0,0]=4 857 B8R1.1 CNC1=NC(=O)CS1 1P001U8Z [1,1,0,0,0,0|1,0,1]=4 858 B8R1.1 CNc1nc(cs1)Br 1P0039U8 [1,1,0,0,0,0|1,0,0]=3 859 B8R1.1 CNc1nc(ns1)Br 1P01X6BZ [1,1,0,0,0,0|2,0,0]=4 860 B8R1.1 CNc1nc(ns1)Cl 1P028NVZ [1,1,0,0,0,0|2,0,0]=4 861 B8R1.1 CNc1ncc(s1)Br 1P01C5SV [1,1,0,0,0,0|1,0,0]=3 862 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [1,1,0,0,0,0|1,0,0]=3 863 B8R1.1 CNc1ncc(s1)C 1P01FKWA [1,1,0,0,0,0|1,0,0]=3 864 B8R1.1 CNc1ncc(s1)Cl 1P01AN5E [1,1,0,0,0,0|1,0,0]=3 865 B8R1.1 CNc1nnc(s1)Br 1P01JPKY [1,1,0,0,0,0|2,0,0]=4 866 B8R1.1 CNc1nnc(s1)C 1P00I862 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.1 CNc1nnc(s1)S 1P007LLR [1,1,0,0,0,0|2,0,0]=4 868 B8R1.1 CNc1scc(n1)C 1P007Q89 [1,1,0,0,0,0|1,0,0]=3 869 B8R1.1 CNc1snc(n1)C 1P007B52 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.1 COc1cc([nH]n1)Br 1P00H9YP [1,1,0,0,0,0|2,0,0]=4 871 B8R1.1 COc1cc(on1)N 1P01KLCM [1,1,0,0,0,0|2,0,0]=4 872 B8R1.1 COc1cc(sn1)Br 1P01C22I [1,1,0,0,0,0|2,0,0]=4 873 B8R1.1 COc1cc(sn1)N 1P01EK5J [1,1,0,0,0,0|2,0,0]=4 874 B8R1.1 COc1ccc(s1)Br 1P003H6P [1,1,0,0,0,0|1,0,0]=3 875 B8R1.1 COc1cnc(s1)C 1P00BXUC [1,1,0,0,0,0|2,0,0]=4 876 B8R1.1 COc1cnc(s1)N 1P00EAWD [1,1,0,0,0,0|2,0,0]=4 877 B8R1.1 COc1csc(n1)Br 1P01DVG7 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.1 COc1n[nH]c(=O)s1 1P0021V4 [1,1,0,0,0,0|1,0,0]=3 879 B8R1.1 COc1n[nH]c(n1)Br 1P001Q64 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.1 COc1nc(cs1)Br 1P00C2ED [1,1,0,0,0,0|0,0,0]=2 881 B8R1.1 COc1nc(cs1)I 1P01BK7C [1,1,0,0,0,0|0,0,0]=2 882 B8R1.1 COc1nc(ns1)N 1P00C8MR [1,1,0,0,0,0|1,0,0]=3 883 B8R1.1 COc1ncc(s1)Br 1P00DE93 [1,1,0,0,0,0|0,0,0]=2 884 B8R1.1 COc1ncc(s1)I 1P01ELXZ [1,1,0,0,0,0|0,0,0]=2 885 B8R1.1 COc1nnc(s1)Br 1P01ACGE [1,1,0,0,0,0|1,0,0]=3 886 B8R1.1 COc1nnc(s1)C 1P00I3C1 [1,1,0,0,0,0|1,0,0]=3 887 B8R1.1 COc1nnc(s1)N 1P001YIU [1,1,0,0,0,0|1,0,0]=3 888 B8R1.1 COc1nnc(s1)S 1P00D3GI [1,1,0,0,0,0|1,0,0]=3 889 B8R1.1 COc1noc(c1)C 1P001YOF [1,1,0,0,0,0|2,0,0]=4 890 B8R1.1 COc1nsc(n1)N 1P005X7N [1,1,0,0,0,0|2,0,0]=4 891 B8R1.1 CSc1nc(cs1)Br 1P002A0P [1,1,0,0,0,0|0,1,0]=3 892 B8R1.1 CSc1nc(ns1)Br 1P0077RY [1,1,0,0,0,0|1,1,0]=4 893 B8R1.1 CSc1nc(ns1)Cl 1P0006DX [1,1,0,0,0,0|1,1,0]=4 894 B8R1.1 CSc1nc(ns1)N 1P00EE9X [1,1,0,0,0,0|1,1,0]=4 895 B8R1.1 CSc1nc(ns1)O 1P00EBQR [1,1,0,0,0,0|1,1,0]=4 896 B8R1.1 CSc1ncc(s1)Br 1P01UOVY [1,1,0,0,0,0|0,1,0]=3 897 B8R1.1 CSc1nnc(s1)Br 1P005SMA [1,1,0,0,0,0|1,1,0]=4 898 B8R1.1 CSc1nnc(s1)C 1P00B4W9 [1,1,0,0,0,0|1,1,0]=4 899 B8R1.1 CSc1nnc(s1)Cl 1P00CMKO [1,1,0,0,0,0|1,1,0]=4 900 B8R1.1 CSc1nnc(s1)N 1P00I9YG [1,1,0,0,0,0|1,1,0]=4 901 B8R1.1 CSc1nnc(s1)S 1P003ND9 [1,1,0,0,0,0|1,1,0]=4 902 B8R1.1 Cc1c[nH]c(n1)CBr 1P0286E1 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.1 Cc1c[nH]c(n1)CCl 1P01EMA8 [1,1,0,0,0,0|2,0,0]=4 904 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [1,1,0,0,0,0|2,0,0]=4 905 B8R1.1 Cc1cc(sc1)CO 1P005M4K [1,1,0,0,0,0|2,0,0]=4 906 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [1,1,0,0,0,0|2,0,0]=4 907 B8R1.1 Cc1ccc(s1)CN 1P0085BO [1,1,0,0,0,0|2,0,0]=4 908 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [1,1,0,0,0,0|2,0,0]=4 909 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.1 Cc1cnc([nH]1)CO 1P002G9Q [1,1,0,0,0,0|2,0,0]=4 911 B8R1.1 Cc1cnc(o1)CCl 1P019SFT [1,1,0,0,0,0|1,1,0]=4 912 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [1,1,0,0,0,0|1,1,0]=4 913 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [1,1,0,0,0,0|1,1,0]=4 914 B8R1.1 Cc1cnc(o1)CO 1P00VVV6 [1,1,0,0,0,0|1,1,0]=4 915 B8R1.1 Cc1cnc(s1)C#N 1P0002O5 [1,1,0,0,0,0|1,0,1]=4 916 B8R1.1 Cc1cnc(s1)C=O 1P00196D [1,1,0,0,0,0|1,0,1]=4 917 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [1,1,0,0,0,0|1,0,0]=3 918 B8R1.1 Cc1cnc(s1)CO 1P00290Z [1,1,0,0,0,0|1,0,0]=3 919 B8R1.1 Cc1coc(n1)CCl 1P02848D [1,1,0,0,0,0|1,1,0]=4 920 B8R1.1 Cc1coc(n1)CO 1P021U5B [1,1,0,0,0,0|1,1,0]=4 921 B8R1.1 Cc1csc(n1)C#C 1P00CGB0 [1,1,0,0,0,0|0,0,2]=4 922 B8R1.1 Cc1csc(n1)C#N 1P0002P4 [1,1,0,0,0,0|1,0,1]=4 923 B8R1.1 Cc1csc(n1)C=O 1P0013UG [1,1,0,0,0,0|1,0,1]=4 924 B8R1.1 Cc1csc(n1)CCl 1P006UMP [1,1,0,0,0,0|1,0,0]=3 925 B8R1.1 Cc1csc(n1)CCl 1P00J206 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.1 Cc1csc(n1)CN 1P000PRK [1,1,0,0,0,0|1,0,0]=3 927 B8R1.1 Cc1csc(n1)CN 1P00DBWW [1,1,0,0,0,0|1,0,0]=3 928 B8R1.1 Cc1csc(n1)CO 1P0013UH [1,1,0,0,0,0|1,0,0]=3 929 B8R1.1 Cc1csc(n1)CO 1P00J22S [1,1,0,0,0,0|1,0,0]=3 930 B8R1.1 Cc1csc(n1)NN 1P001J5G [1,1,0,0,0,0|2,0,0]=4 931 B8R1.1 Cc1nc(sn1)CBr 1P0280HG [1,1,0,0,0,0|2,0,0]=4 932 B8R1.1 Cc1nc(sn1)CCl 1P01EM97 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.1 Cc1nc(sn1)CO 1P01BHUW [1,1,0,0,0,0|2,0,0]=4 935 B8R1.1 Cc1nnc(s1)CBr 1P01B7R0 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.1 Cc1nnc(s1)CCl 1P008QZD [1,1,0,0,0,0|2,0,0]=4 937 B8R1.1 Cc1nnc(s1)CN 1P005BMI [1,1,0,0,0,0|2,0,0]=4 938 B8R1.1 Cc1nnc(s1)CO 1P00IEPT [1,1,0,0,0,0|2,0,0]=4 939 B8R1.1 ClCc1cc(cs1)Br 1P00ACTT [1,1,0,0,0,0|2,0,0]=4 940 B8R1.1 ClCc1ccc(s1)Br 1P019LJY [1,1,0,0,0,0|2,0,0]=4 941 B8R1.1 ClCc1ccc(s1)Cl 1P003HF2 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.1 ClCc1n[nH]c(=O)s1 1P01B1Z4 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.1 ClCc1nc(c[nH]1)Br 1P027Z1P [1,1,0,0,0,0|2,0,0]=4 944 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [1,1,0,0,0,0|1,0,0]=3 945 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [1,1,0,0,0,0|1,0,0]=3 946 B8R1.1 ClCc1nnc(s1)Cl 1P01JC2J [1,1,0,0,0,0|2,0,0]=4 947 B8R1.1 ClCc1scc(c1)Cl 1P023S65 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [1,1,0,0,0,0|1,0,0]=3 949 B8R1.1 Clc1cc(sc1)CBr 1P01EMCO [1,1,0,0,0,0|2,0,0]=4 950 B8R1.1 Clc1ccc(s1)CBr 1P019RZ1 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.1 Clc1cnc(s1)C#C 1P0290XE [1,1,0,0,0,0|0,0,2]=4 952 B8R1.1 Clc1cnc(s1)C=O 1P0034PY [1,1,0,0,0,0|1,0,1]=4 953 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [1,1,0,0,0,0|1,0,0]=3 954 B8R1.1 Clc1csc(n1)C#C 1P028FBN [1,1,0,0,0,0|0,0,2]=4 955 B8R1.1 Clc1csc(n1)C#N 1P001275 [1,1,0,0,0,0|1,0,1]=4 956 B8R1.1 Clc1csc(n1)C=O 1P00E75U [1,1,0,0,0,0|1,0,1]=4 957 B8R1.1 Ic1cnc(s1)C=O 1P01BB5T [1,1,0,0,0,0|1,0,1]=4 958 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.1 NCc1cc(cs1)Br 1P000EAH [1,1,0,0,0,0|2,0,0]=4 960 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [1,1,0,0,0,0|2,0,0]=4 961 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.1 NCc1cc(cs1)F 1P028FQL [1,1,0,0,0,0|2,0,0]=4 963 B8R1.1 NCc1cc(cs1)I 1P028BGB [1,1,0,0,0,0|2,0,0]=4 964 B8R1.1 NCc1ccc(s1)Br 1P0001JY [1,1,0,0,0,0|2,0,0]=4 965 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [1,1,0,0,0,0|2,0,0]=4 966 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [1,1,0,0,0,0|2,0,0]=4 967 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [1,1,0,0,0,0|2,0,0]=4 968 B8R1.1 NCc1ccc(s1)F 1P00CGEU [1,1,0,0,0,0|2,0,0]=4 969 B8R1.1 NCc1ccc(s1)I 1P028DJT [1,1,0,0,0,0|2,0,0]=4 970 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [1,1,0,0,0,0|1,0,0]=3 971 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [1,1,0,0,0,0|1,0,0]=3 972 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [1,1,0,0,0,0|1,0,0]=3 973 B8R1.1 NCc1ncc(s1)Br 1P001GXO [1,1,0,0,0,0|1,0,0]=3 974 B8R1.1 NCc1ncc(s1)C 1P003FFM [1,1,0,0,0,0|1,0,0]=3 975 B8R1.1 NCc1ncc(s1)Cl 1P00932P [1,1,0,0,0,0|1,0,0]=3 976 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [1,1,0,0,0,0|1,0,0]=3 977 B8R1.1 NCc1ncc(s1)I 1P02806H [1,1,0,0,0,0|1,0,0]=3 978 B8R1.1 NCc1nnc(s1)N 1P00EEHT [1,1,0,0,0,0|2,0,0]=4 979 B8R1.1 NCc1nnc(s1)S 1P028RV5 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.1 NCc1occ(n1)C 1P027X5U [1,1,0,0,0,0|1,1,0]=4 981 B8R1.1 NCc1scc(n1)Br 1P0282HW [1,1,0,0,0,0|1,0,0]=3 982 B8R1.1 NCc1scc(n1)C 1P00J3IM [1,1,0,0,0,0|1,0,0]=3 983 B8R1.1 Nc1nnc(s1)CF 1P027VGT [1,1,0,0,0,0|2,0,0]=4 984 B8R1.1 Nc1nnc(s1)CO 1P01A25J [1,1,0,0,0,0|2,0,0]=4 985 B8R1.1 OCc1cc(cs1)Br 1P003CBD [1,1,0,0,0,0|2,0,0]=4 986 B8R1.1 OCc1cc(cs1)Cl 1P002NC1 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.1 OCc1ccc(s1)Br 1P0052HU [1,1,0,0,0,0|2,0,0]=4 988 B8R1.1 OCc1ccc(s1)Cl 1P00FB5R [1,1,0,0,0,0|2,0,0]=4 989 B8R1.1 OCc1ccc(s1)F 1P008JHJ [1,1,0,0,0,0|2,0,0]=4 990 B8R1.1 OCc1nc(c[nH]1)Br 1P01BCBB [1,1,0,0,0,0|2,0,0]=4 991 B8R1.1 OCc1nc(cs1)Br 1P002A0S [1,1,0,0,0,0|1,0,0]=3 992 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [1,1,0,0,0,0|1,0,0]=3 993 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [1,1,0,0,0,0|1,0,0]=3 994 B8R1.1 OCc1nnc(s1)Br 1P00AB0M [1,1,0,0,0,0|2,0,0]=4 995 B8R1.1 OCc1nnc(s1)Cl 1P00GV5P [1,1,0,0,0,0|2,0,0]=4 996 B8R1.1 SCc1cc(cs1)Br 1P0280AT [1,1,0,0,0,0|2,0,0]=4 997 B8R1.1 SCc1ccc(s1)Br 1P0280GR [1,1,0,0,0,0|2,0,0]=4 998 B8R1.1 SCc1ccc(s1)Cl 1P01IYEN [1,1,0,0,0,0|2,0,0]=4 999 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,1,0,0,0,0|1,0,1]=4 1000 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [1,1,0,0,0,0|1,0,1]=4 1001 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [1,1,0,0,0,0|1,0,1]=4 1002 B8R1.7 CC(=O)c1ncco1 1P005DFY [1,1,0,0,0,0|0,1,1]=4 1003 B8R1.7 CC(=O)c1nccs1 1P003D8V [1,1,0,0,0,0|0,0,1]=3 1004 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [1,1,0,0,0,0|2,0,0]=4 1006 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [1,1,0,0,0,0|1,0,1]=4 1009 B8R1.7 CC(c1ccco1)C 1P003HYG [1,1,0,0,0,0|1,1,0]=4 1010 B8R1.7 CC(c1ccco1)N 1P00BDMZ [1,1,0,0,0,0|1,1,0]=4 1011 B8R1.7 CC(c1ccco1)N 1P019N05 [1,1,0,0,0,0|1,1,0]=4 1012 B8R1.7 CC(c1ccco1)O 1P00I8MZ [1,1,0,0,0,0|1,1,0]=4 1013 B8R1.7 CC(c1ccco1)S 1P01A8IC [1,1,0,0,0,0|1,1,0]=4 1014 B8R1.7 CC(c1cccs1)N 1P0032QU [1,1,0,0,0,0|1,0,0]=3 1015 B8R1.7 CC(c1cccs1)N 1P00ATK3 [1,1,0,0,0,0|1,0,0]=3 1016 B8R1.7 CC(c1cccs1)O 1P002MMU [1,1,0,0,0,0|1,0,0]=3 1017 B8R1.7 CC(c1cccs1)S 1P01AKH2 [1,1,0,0,0,0|1,0,0]=3 1018 B8R1.7 CC(c1ccns1)N 1P01BY3O [1,1,0,0,0,0|2,0,0]=4 1019 B8R1.7 CC(c1ccns1)N 1P01BY4V [1,1,0,0,0,0|2,0,0]=4 1020 B8R1.7 CC(c1ccon1)N 1P01A3YI [1,1,0,0,0,0|2,0,0]=4 1021 B8R1.7 CC(c1ccon1)N 1P01AF6D [1,1,0,0,0,0|2,0,0]=4 1022 B8R1.7 CC(c1cncs1)N 1P0099H5 [1,1,0,0,0,0|2,0,0]=4 1023 B8R1.7 CC(c1cncs1)N 1P01EII7 [1,1,0,0,0,0|2,0,0]=4 1024 B8R1.7 CC(c1cncs1)O 1P00D74H [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.7 CC(c1cocn1)N 1P0286V2 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.7 CC(c1cocn1)O 1P020N34 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.7 CC(c1cscn1)N 1P0089QY [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.7 CC(c1cscn1)O 1P01A4T6 [1,1,0,0,0,0|2,0,0]=4 1029 B8R1.7 CC(c1n[nH]cn1)N 1P00J1AD [1,1,0,0,0,0|2,0,0]=4 1030 B8R1.7 CC(c1n[nH]cn1)N 1P01A4D1 [1,1,0,0,0,0|2,0,0]=4 1031 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [1,1,0,0,0,0|2,0,0]=4 1033 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [1,1,0,0,0,0|1,0,0]=3 1034 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [1,1,0,0,0,0|1,0,0]=3 1035 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [1,1,0,0,0,0|1,0,0]=3 1036 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [1,1,0,0,0,0|1,0,0]=3 1037 B8R1.7 CC(c1ncco1)Br 1P0285HD [1,1,0,0,0,0|0,1,0]=3 1038 B8R1.7 CC(c1ncco1)Cl 1P028AQQ [1,1,0,0,0,0|0,1,0]=3 1039 B8R1.7 CC(c1ncco1)N 1P00HBMP [1,1,0,0,0,0|0,1,0]=3 1040 B8R1.7 CC(c1ncco1)N 1P01BDX7 [1,1,0,0,0,0|0,1,0]=3 1041 B8R1.7 CC(c1nccs1)Br 1P01A5LH [1,1,0,0,0,0|0,0,0]=2 1042 B8R1.7 CC(c1nccs1)Br 1P01DWD9 [1,1,0,0,0,0|0,0,0]=2 1043 B8R1.7 CC(c1nccs1)Cl 1P00CJVM [1,1,0,0,0,0|0,0,0]=2 1044 B8R1.7 CC(c1nccs1)N 1P003DCD [1,1,0,0,0,0|0,0,0]=2 1045 B8R1.7 CC(c1nccs1)N 1P003DCE [1,1,0,0,0,0|0,0,0]=2 1046 B8R1.7 CC(c1nccs1)O 1P00CJVD [1,1,0,0,0,0|0,0,0]=2 1047 B8R1.7 CC(c1ncn[nH]1)C 1P00C2M9 [1,1,0,0,0,0|2,0,0]=4 1048 B8R1.7 CC(c1ncno1)Cl 1P019SJY [1,1,0,0,0,0|1,1,0]=4 1049 B8R1.7 CC(c1nnc[nH]1)Cl 1P01FINR [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.7 CC(c1nnc[nH]1)O 1P01B7V4 [1,1,0,0,0,0|2,0,0]=4 1051 B8R1.7 CC(c1nnco1)Cl 1P028B33 [1,1,0,0,0,0|1,1,0]=4 1052 B8R1.7 CC(c1nnco1)N 1P00KCOG [1,1,0,0,0,0|1,1,0]=4 1053 B8R1.7 CC(c1nncs1)N 1P028YEU [1,1,0,0,0,0|1,0,0]=3 1054 B8R1.7 CC(c1nocn1)N 1P018SD1 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.7 CC(c1ocnn1)C 1P001M1E [1,1,0,0,0,0|1,1,0]=4 1056 B8R1.7 CC(c1scnc1)C 1P001WUZ [1,1,0,0,0,0|2,0,0]=4 1057 B8R1.7 CC(c1scnc1)N 1P024UN9 [1,1,0,0,0,0|2,0,0]=4 1058 B8R1.7 CC(n1cccn1)C 1P002E7T [1,1,0,0,0,0|2,0,0]=4 1059 B8R1.7 CC(n1nccn1)C 1P028VJ0 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.7 CN(c1nccs1)C 1P00ELP1 [1,1,0,0,0,0|1,0,0]=3 1061 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [1,1,0,0,0,0|2,0,0]=4 1062 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [1,1,0,0,0,0|2,0,0]=4 1063 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [1,1,0,0,0,0|1,1,0]=4 1064 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [1,1,0,0,0,0|1,0,0]=3 1065 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [1,1,0,0,0,0|1,0,0]=3 1066 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [1,1,0,0,0,0|1,0,0]=3 1067 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [1,1,0,0,0,0|2,0,0]=4 1068 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [1,1,0,0,0,0|2,0,0]=4 1071 B8R1.7 C[C@@H](c1n[nH]cn1)N 1P028JN6 [1,1,0,0,0,0|2,0,0]=4 1072 B8R1.7 C[C@@H](c1n[nH]cn1)O 1P028LLR [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [1,1,0,0,0,0|0,0,0]=2 1075 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [1,1,0,0,0,0|0,0,0]=2 1076 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [1,1,0,0,0,0|2,0,0]=4 1077 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [1,1,0,0,0,0|2,0,0]=4 1078 B8R1.7 C[C@H](c1[nH]cnn1)N 1P028KX1 [1,1,0,0,0,0|2,0,0]=4 1079 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [1,1,0,0,0,0|2,0,0]=4 1080 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [1,1,0,0,0,0|2,0,0]=4 1081 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [1,1,0,0,0,0|1,1,0]=4 1082 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [1,1,0,0,0,0|1,1,0]=4 1083 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [1,1,0,0,0,0|1,0,0]=3 1084 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [1,1,0,0,0,0|1,0,0]=3 1085 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [1,1,0,0,0,0|1,0,0]=3 1086 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [1,1,0,0,0,0|2,0,0]=4 1087 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [1,1,0,0,0,0|2,0,0]=4 1089 B8R1.7 C[C@H](c1n[nH]cn1)O 1P028GOM [1,1,0,0,0,0|2,0,0]=4 1090 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [1,1,0,0,0,0|1,0,0]=3 1091 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [1,1,0,0,0,0|0,0,0]=2 1092 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [1,1,0,0,0,0|0,0,0]=2 1093 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [1,1,0,0,0,0|2,0,0]=4 1094 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.7 FC(c1ncc[nH]1)F 1P028VUI [1,1,0,0,0,0|2,0,0]=4 1096 B8R1.7 FC(c1nccs1)F 1P01FLBR [1,1,0,0,0,0|1,0,0]=3 1097 B8R1.7 NC(=N)c1nccs1 1P002PJP [1,1,0,0,0,0|1,0,1]=4 1098 B8R1.7 NC(=O)c1nccs1 1P001XS6 [1,1,0,0,0,0|1,0,1]=4 1099 B8R1.7 NC(=S)c1nccs1 1P00EAFR [1,1,0,0,0,0|1,0,1]=4 1100 B8R1.7 OC(=O)c1nccs1 1P001HT7 [1,1,0,0,0,0|1,0,1]=4 1101 B8R1.7 [O-][N+](=O)c1nccs1 1P001SIY [1,1,0,0,0,0|2,0,0]=4 1102 B8R1.11 BrCc1nccn1C 1P00J2TY [1,1,0,0,0,0|2,0,0]=4 1103 B8R1.11 CCc1n[nH]cc1Br 1P001QDJ [1,1,0,0,0,0|2,0,0]=4 1104 B8R1.11 CCc1n[nH]cc1Cl 1P01R68I [1,1,0,0,0,0|2,0,0]=4 1105 B8R1.11 CCc1ncoc1Br 1P028G5M [1,1,0,0,0,0|2,0,0]=4 1106 B8R1.11 CCc1ncsc1Br 1P00KDXM [1,1,0,0,0,0|2,0,0]=4 1107 B8R1.11 CCc1ncsc1N 1P01A25Z [1,1,0,0,0,0|2,0,0]=4 1108 B8R1.11 CCc1nncn1C 1P01A9K2 [1,1,0,0,0,0|2,0,0]=4 1109 B8R1.11 CCc1nncn1N 1P028EBY [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.11 CCc1nocc1N 1P01EK3W [1,1,0,0,0,0|2,0,0]=4 1111 B8R1.11 CCc1nocc1N 1P0286HW [1,1,0,0,0,0|2,0,0]=4 1112 B8R1.11 CCc1nscc1N 1P027NP7 [1,1,0,0,0,0|2,0,0]=4 1113 B8R1.11 CCc1scnc1C 1P00C09C [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.11 CCn1nccc1Br 1P000TRN [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.11 CCn1nccc1C 1P00JCO2 [1,1,0,0,0,0|2,0,0]=4 1116 B8R1.11 CCn1nccc1Cl 1P00HX11 [1,1,0,0,0,0|2,0,0]=4 1117 B8R1.11 CCn1nccc1I 1P009X6Z [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.11 CCn1nccc1N 1P003ER6 [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.11 CCn1nccc1O 1P007F8F [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.11 CCn1nccc1O 1P028MCP [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.11 COc1n[nH]cc1C 1P01EJ5X [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.11 COc1n[nH]cc1I 1P00HUB0 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.11 COc1ncsc1Br 1P01FIXZ [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.11 COc1nscc1Br 1P01A294 [1,1,0,0,0,0|2,0,0]=4 1125 B8R1.11 COc1nscc1I 1P028CPJ [1,1,0,0,0,0|2,0,0]=4 1126 B8R1.11 COc1sccc1Br 1P00EQRS [1,1,0,0,0,0|1,0,0]=3 1127 B8R1.11 CSc1nccn1C 1P001KPA [1,1,0,0,0,0|1,1,0]=4 1128 B8R1.11 ClCc1nccn1C 1P002G9F [1,1,0,0,0,0|2,0,0]=4 1129 B8R1.11 ClCc1nccn1C 1P005KGZ [1,1,0,0,0,0|2,0,0]=4 1130 B8R1.11 ClCc1sccc1Br 1P00FGO5 [1,1,0,0,0,0|2,0,0]=4 1131 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [1,1,0,0,0,0|2,0,0]=4 1132 B8R1.11 ClCc1sccc1I 1P01RLGG [1,1,0,0,0,0|2,0,0]=4 1133 B8R1.11 NCc1nccn1C 1P000MAC [1,1,0,0,0,0|2,0,0]=4 1134 B8R1.11 NCc1nccn1C 1P007XU1 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.11 NCc1nccn1C 1P00DIDN [1,1,0,0,0,0|2,0,0]=4 1136 B8R1.11 NCc1sccc1Br 1P0055YI [1,1,0,0,0,0|2,0,0]=4 1137 B8R1.11 NCc1sccc1C 1P003C9G [1,1,0,0,0,0|2,0,0]=4 1138 B8R1.11 NCc1sccc1C 1P00HBEG [1,1,0,0,0,0|2,0,0]=4 1139 B8R1.11 NCc1sccc1Cl 1P00BK1B [1,1,0,0,0,0|2,0,0]=4 1140 B8R1.11 NCc1sccc1Cl 1P00ILE2 [1,1,0,0,0,0|2,0,0]=4 1141 B8R1.11 NCc1sccc1I 1P028CQW [1,1,0,0,0,0|2,0,0]=4 1142 B8R1.11 OCc1nccn1C 1P001ZA4 [1,1,0,0,0,0|2,0,0]=4 1143 B8R1.11 OCc1nccn1C 1P01A20A [1,1,0,0,0,0|2,0,0]=4 1144 B8R1.11 OCc1sccc1Br 1P00FBQ7 [1,1,0,0,0,0|2,0,0]=4 1145 B8R1.11 OCc1sccc1C 1P00EJFD [1,1,0,0,0,0|2,0,0]=4 1146 B8R1.11 OCc1sccc1Cl 1P00BBN8 [1,1,0,0,0,0|2,0,0]=4 1147 B8R1.11 OCc1sccc1N 1P00AC6X [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [0,1,0,0,0,1|2,0,0]=4 1149 B10R1.1 CCCc1ncc(cn1)N 1P01B8I4 [0,1,0,0,0,1|2,0,0]=4 1150 B10R1.1 CCNc1ccc(cn1)Br 1P004TLN [0,1,0,0,0,1|2,0,0]=4 1151 B10R1.1 CCNc1ccc(cn1)N 1P00E2O4 [0,1,0,0,0,1|2,0,0]=4 1152 B10R1.1 CCNc1ccc(nn1)Br 1P008VXC [0,1,0,0,0,1|2,0,0]=4 1153 B10R1.1 CCNc1ccc(nn1)C 1P01AI4G [0,1,0,0,0,1|2,0,0]=4 1154 B10R1.1 CCNc1ccc(nn1)Cl 1P003JQK [0,1,0,0,0,1|2,0,0]=4 1155 B10R1.1 CCNc1ncc(cn1)F 1P009IOE [0,1,0,0,0,1|2,0,0]=4 1156 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [0,1,0,0,0,1|2,0,0]=4 1157 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [0,1,0,0,0,1|2,0,0]=4 1158 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [0,1,0,0,0,1|2,0,0]=4 1159 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [0,1,0,0,0,1|2,0,0]=4 1160 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [0,1,0,0,0,1|2,0,0]=4 1161 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [0,1,0,0,0,1|2,0,0]=4 1162 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [0,1,0,0,0,1|2,0,0]=4 1163 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [0,1,0,0,0,1|2,0,0]=4 1164 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [0,1,0,0,0,1|2,0,0]=4 1165 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [0,1,0,0,0,1|2,0,0]=4 1166 B10R1.1 CCOc1ccc(cn1)Br 1P003MXL [0,1,0,0,0,1|1,0,0]=3 1167 B10R1.1 CCOc1ccc(cn1)Cl 1P00I4SY [0,1,0,0,0,1|1,0,0]=3 1168 B10R1.1 CCOc1ccc(cn1)F 1P008GR1 [0,1,0,0,0,1|1,0,0]=3 1169 B10R1.1 CCOc1ccc(cn1)I 1P00GSBW [0,1,0,0,0,1|1,0,0]=3 1170 B10R1.1 CCOc1ccc(cn1)N 1P00I9RP [0,1,0,0,0,1|1,0,0]=3 1171 B10R1.1 CCOc1ccc(nc1)Br 1P0071TQ [0,1,0,0,0,1|1,0,0]=3 1172 B10R1.1 CCOc1ccc(nc1)Cl 1P00G4H7 [0,1,0,0,0,1|1,0,0]=3 1173 B10R1.1 CCOc1ccc(nc1)N 1P00H1EN [0,1,0,0,0,1|1,0,0]=3 1174 B10R1.1 CCOc1ccc(nn1)Br 1P01BZN8 [0,1,0,0,0,1|1,0,0]=3 1175 B10R1.1 CCOc1ccc(nn1)Cl 1P001Z6V [0,1,0,0,0,1|1,0,0]=3 1176 B10R1.1 CCOc1ccc(nn1)N 1P00CI0M [0,1,0,0,0,1|1,0,0]=3 1177 B10R1.1 CCOc1cnc(=N)[nH]c1 1P00C9CJ [0,1,0,0,0,1|2,0,0]=4 1178 B10R1.1 CCOc1cnc(cn1)Br 1P008Y2F [0,1,0,0,0,1|1,0,0]=3 1179 B10R1.1 CCOc1cnc(cn1)Cl 1P00A678 [0,1,0,0,0,1|1,0,0]=3 1180 B10R1.1 CCOc1cnc(cn1)N 1P00ECXA [0,1,0,0,0,1|1,0,0]=3 1181 B10R1.1 CCOc1cnc(nc1)Br 1P00HGA6 [0,1,0,0,0,1|2,0,0]=4 1182 B10R1.1 CCOc1cnc(nc1)Cl 1P00GA5E [0,1,0,0,0,1|2,0,0]=4 1183 B10R1.1 CCOc1ncc(cn1)Br 1P003MXM [0,1,0,0,0,1|1,0,0]=3 1184 B10R1.1 CCOc1ncc(cn1)Cl 1P009IFZ [0,1,0,0,0,1|1,0,0]=3 1185 B10R1.1 CCOc1ncc(cn1)N 1P0060XE [0,1,0,0,0,1|1,0,0]=3 1186 B10R1.1 CCOc1ncc(cn1)O 1P021TVC [0,1,0,0,0,1|1,0,0]=3 1187 B10R1.1 CCSc1ccc(cn1)Br 1P00HS6N [0,1,0,0,0,1|1,1,0]=4 1188 B10R1.1 CCSc1ccc(cn1)N 1P01A81V [0,1,0,0,0,1|1,1,0]=4 1189 B10R1.1 CCSc1ccc(nc1)Cl 1P027XPO [0,1,0,0,0,1|1,1,0]=4 1190 B10R1.1 FCOc1ccc(nc1)Br 1P028CF8 [0,1,0,0,0,1|2,0,0]=4 1191 B10R1.1 FCOc1ccc(nc1)Cl 1P028FTE [0,1,0,0,0,1|2,0,0]=4 1192 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [0,1,0,0,0,1|2,0,0]=4 1193 B10R1.4 CCCc1nccnc1N 1P01B74B [0,1,0,0,0,1|2,0,0]=4 1194 B10R1.4 CCNc1cccnc1N 1P00BBQE [0,1,0,0,0,1|2,0,0]=4 1195 B10R1.4 CCNc1ncccc1C 1P01BI60 [0,1,0,0,0,1|2,0,0]=4 1196 B10R1.4 CCNc1ncccc1I 1P0283H5 [0,1,0,0,0,1|2,0,0]=4 1197 B10R1.4 CCNc1ncccc1N 1P007HGD [0,1,0,0,0,1|2,0,0]=4 1198 B10R1.4 CCNc1ncccc1N 1P019X8Y [0,1,0,0,0,1|2,0,0]=4 1199 B10R1.4 CCNc1nccnc1Cl 1P01ADOY [0,1,0,0,0,1|2,0,0]=4 1200 B10R1.4 CCNc1nccnc1N 1P00H39U [0,1,0,0,0,1|2,0,0]=4 1201 B10R1.4 CCOc1ccc[nH]c1=O 1P00H06L [0,1,0,0,0,1|1,0,1]=4 1202 B10R1.4 CCOc1ccccc1Br 1P003EJT [0,1,0,0,0,1|2,0,0]=4 1203 B10R1.4 CCOc1ccccc1C 1P00EDEP [0,1,0,0,0,1|2,0,0]=4 1204 B10R1.4 CCOc1ccccc1F 1P00DC78 [0,1,0,0,0,1|2,0,0]=4 1205 B10R1.4 CCOc1ccccc1I 1P00EOB3 [0,1,0,0,0,1|2,0,0]=4 1206 B10R1.4 CCOc1ccccc1N 1P003HMW [0,1,0,0,0,1|2,0,0]=4 1207 B10R1.4 CCOc1ccccc1N 1P003TY7 [0,1,0,0,0,1|2,0,0]=4 1208 B10R1.4 CCOc1cccnc1Br 1P00436J [0,1,0,0,0,1|1,0,0]=3 1209 B10R1.4 CCOc1cccnc1F 1P00IDVS [0,1,0,0,0,1|1,0,0]=3 1210 B10R1.4 CCOc1cccnc1N 1P00019E [0,1,0,0,0,1|1,0,0]=3 1211 B10R1.4 CCOc1ccncc1N 1P001UH4 [0,1,0,0,0,1|2,0,0]=4 1212 B10R1.4 CCOc1cnccc1N 1P00GU33 [0,1,0,0,0,1|1,0,0]=3 1213 B10R1.4 CCOc1ncccc1Br 1P003JH0 [0,1,0,0,0,1|1,0,0]=3 1214 B10R1.4 CCOc1ncccc1Cl 1P0025YL [0,1,0,0,0,1|1,0,0]=3 1215 B10R1.4 CCOc1ncccc1I 1P003HMK [0,1,0,0,0,1|1,0,0]=3 1216 B10R1.4 CCOc1ncccc1N 1P00DLRU [0,1,0,0,0,1|1,0,0]=3 1217 B10R1.4 CCOc1ncccc1O 1P002HLC [0,1,0,0,0,1|1,0,0]=3 1218 B10R1.4 CCOc1nccnc1Cl 1P00K0RP [0,1,0,0,0,1|1,0,0]=3 1219 B10R1.4 CCOc1nccnc1N 1P0042RB [0,1,0,0,0,1|1,0,0]=3 1220 B10R1.4 CCOc1ncncc1N 1P00DKHP [0,1,0,0,0,1|1,0,0]=3 1221 B10R1.4 CCSc1cccnc1Cl 1P028BNW [0,1,0,0,0,1|1,1,0]=4 1222 B10R1.4 CCSc1cnccc1N 1P0290M3 [0,1,0,0,0,1|1,1,0]=4 1223 B10R1.4 Cc1ccncc1NCC 1P01BHHU [0,1,0,0,0,1|2,0,0]=4 1224 B10R1.4 Cc1ncccc1NCC 1P01BHU6 [0,1,0,0,0,1|2,0,0]=4 1225 B10R1.4 Cc1nccnc1NCC 1P01BHBI [0,1,0,0,0,1|2,0,0]=4 1226 B10R1.4 Cc1nccnc1OCC 1P003JU7 [0,1,0,0,0,1|1,0,0]=3 1227 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [0,1,0,0,0,1|2,0,0]=4 1228 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [0,1,0,0,0,1|2,0,0]=4 1229 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [0,1,0,0,0,1|2,0,0]=4 1230 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [0,1,0,0,0,1|2,0,0]=4 1231 B10R1.10 CCCc1nccc(n1)N 1P0003MS [0,1,0,0,0,1|2,0,0]=4 1232 B10R1.10 CCNc1cc(Cl)ccn1 1P00HDEM [0,1,0,0,0,1|2,0,0]=4 1233 B10R1.10 CCNc1cc(N)ccn1 1P003X1E [0,1,0,0,0,1|2,0,0]=4 1234 B10R1.10 CCNc1ccnc(n1)Cl 1P004XQZ [0,1,0,0,0,1|2,0,0]=4 1235 B10R1.10 CCNc1nccc(n1)Cl 1P004LVW [0,1,0,0,0,1|2,0,0]=4 1236 B10R1.10 CCNc1ncnc(n1)N 1P01BAD5 [0,1,0,0,0,1|2,0,0]=4 1237 B10R1.10 CCOc1cc(Br)ccn1 1P00EGBH [0,1,0,0,0,1|1,0,0]=3 1238 B10R1.10 CCOc1cc(Cl)ncn1 1P00C28U [0,1,0,0,0,1|1,0,0]=3 1239 B10R1.10 CCOc1cc(N)ccn1 1P003L57 [0,1,0,0,0,1|1,0,0]=3 1240 B10R1.10 CCOc1cccc(=N)[nH]1 1P0058P0 [0,1,0,0,0,1|1,0,1]=4 1241 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [0,1,0,0,0,1|2,0,0]=4 1242 B10R1.10 CCOc1cccc(c1)F 1P00I906 [0,1,0,0,0,1|2,0,0]=4 1243 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [0,1,0,0,0,1|2,0,0]=4 1244 B10R1.10 CCOc1cccc(c1)N 1P0037EN [0,1,0,0,0,1|2,0,0]=4 1245 B10R1.10 CCOc1cccc(c1)O 1P003JUL [0,1,0,0,0,1|2,0,0]=4 1246 B10R1.10 CCOc1cccc(c1)S 1P003JUE [0,1,0,0,0,1|2,0,0]=4 1247 B10R1.10 CCOc1cccc(n1)Br 1P003H7B [0,1,0,0,0,1|1,0,0]=3 1248 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [0,1,0,0,0,1|1,0,0]=3 1249 B10R1.10 CCOc1cccc(n1)Cl 1P003HGT [0,1,0,0,0,1|1,0,0]=3 1250 B10R1.10 CCOc1cccc(n1)F 1P004NYZ [0,1,0,0,0,1|1,0,0]=3 1251 B10R1.10 CCOc1cccc(n1)N 1P01B7WC [0,1,0,0,0,1|1,0,0]=3 1252 B10R1.10 CCOc1ccnc(c1)Br 1P00AD6A [0,1,0,0,0,1|2,0,0]=4 1253 B10R1.10 CCOc1ccnc(c1)Cl 1P003HDO [0,1,0,0,0,1|2,0,0]=4 1254 B10R1.10 CCOc1ccnc(c1)F 1P0021S3 [0,1,0,0,0,1|2,0,0]=4 1255 B10R1.10 CCOc1ccnc(c1)N 1P003GVT [0,1,0,0,0,1|2,0,0]=4 1256 B10R1.10 CCOc1ccnc(n1)C 1P00CDGK [0,1,0,0,0,1|1,0,0]=3 1257 B10R1.10 CCOc1ccnc(n1)Cl 1P0036V8 [0,1,0,0,0,1|1,0,0]=3 1258 B10R1.10 CCOc1cncc(c1)Br 1P0078AD [0,1,0,0,0,1|1,0,0]=3 1259 B10R1.10 CCOc1cncc(c1)N 1P00DGRJ [0,1,0,0,0,1|1,0,0]=3 1260 B10R1.10 CCOc1cncc(n1)C 1P00DGGE [0,1,0,0,0,1|1,0,0]=3 1261 B10R1.10 CCOc1cncc(n1)Cl 1P00A101 [0,1,0,0,0,1|1,0,0]=3 1262 B10R1.10 CCOc1cncc(n1)N 1P01C501 [0,1,0,0,0,1|1,0,0]=3 1263 B10R1.10 CCOc1cnnc(c1)Cl 1P00IG76 [0,1,0,0,0,1|2,0,0]=4 1264 B10R1.10 CCOc1nccc(=N)[nH]1 1P00C82A [0,1,0,0,0,1|1,0,0]=3 1265 B10R1.10 CCOc1ncnc(c1)C 1P007220 [0,1,0,0,0,1|1,0,0]=3 1266 B10R1.10 CCSc1cncc(n1)Cl 1P01A8BS [0,1,0,0,0,1|1,1,0]=4 1267 B10R1.10 CCSc1nccc(n1)N 1P00DDQA [0,1,0,0,0,1|1,1,0]=4 1268 B10R1.10 CCSc1ncnc(n1)N 1P007YND [0,1,0,0,0,1|1,1,0]=4 1269 B10R1.10 FCOc1cncc(c1)Br 1P0280DK [0,1,0,0,0,1|2,0,0]=4 1270 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [0,1,0,0,0,1|2,0,0]=4 1271 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [0,1,0,0,0,1|2,0,0]=4 1272 B10R1.15 CCC(=O)c1cnccn1 1P00DLK1 [0,1,0,0,0,1|2,0,0]=4 1273 B10R1.15 CCC(=O)c1ncccn1 1P00E4VN [0,1,0,0,0,1|2,0,0]=4 1274 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,1,0,0,0,1|2,0,0]=4 1275 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,1,0,0,0,1|2,0,0]=4 1276 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,1,0,0,0,1|2,0,0]=4 1277 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,1,0,0,0,1|2,0,0]=4 1278 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [0,1,0,0,0,1|2,0,0]=4 1279 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,1,0,0,0,1|2,0,0]=4 1280 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,1,0,0,0,1|2,0,0]=4 1281 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,1,0,0,0,1|2,0,0]=4 1282 B10R1.17 BrCCOc1ccccc1 1P003IB5 [0,1,0,0,0,1|2,0,0]=4 1283 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,1,0,0,0,1|1,0,0]=3 1284 B10R1.17 C#CCOc1cccnc1 1P006EAU [0,1,0,0,0,1|1,0,1]=4 1285 B10R1.17 C#CCOc1ncccn1 1P01B9IR [0,1,0,0,0,1|1,0,1]=4 1286 B10R1.17 C=CCOc1cccnc1 1P00AUI6 [0,1,0,0,0,1|1,0,1]=4 1287 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,1,0,0,0,1|2,0,0]=4 1288 B10R1.17 CCCCc1cccnc1 1P00343V [0,1,0,0,0,1|2,0,0]=4 1289 B10R1.17 CCCNc1cccnc1 1P019YSP [0,1,0,0,0,1|2,0,0]=4 1290 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,1,0,0,0,1|2,0,0]=4 1291 B10R1.17 CCCOc1cccnn1 1P005TEB [0,1,0,0,0,1|1,0,0]=3 1292 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,1,0,0,0,1|1,0,0]=3 1293 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,1,0,0,0,1|1,1,0]=4 1294 B10R1.17 CCNCc1ccccn1 1P003SQR [0,1,0,0,0,1|2,0,0]=4 1295 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,1,0,0,0,1|2,0,0]=4 1296 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,1,0,0,0,1|1,1,0]=4 1297 B10R1.17 CNCCc1ccccn1 1P003OMV [0,1,0,0,0,1|2,0,0]=4 1298 B10R1.17 CNCCc1ccccn1 1P003TMX [0,1,0,0,0,1|2,0,0]=4 1299 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,1,0,0,0,1|2,0,0]=4 1300 B10R1.17 CNCCc1cccnc1 1P00025V [0,1,0,0,0,1|2,0,0]=4 1301 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,1,0,0,0,1|2,0,0]=4 1302 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,1,0,0,0,1|2,0,0]=4 1303 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,1,0,0,0,1|2,0,0]=4 1304 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,1,0,0,0,1|2,0,0]=4 1305 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,1,0,0,0,1|2,0,0]=4 1306 B10R1.17 ClCCOc1ccccc1 1P00IBGC [0,1,0,0,0,1|2,0,0]=4 1307 B10R1.17 ICCOc1ccccc1 1P00C6JI [0,1,0,0,0,1|2,0,0]=4 1308 B10R1.17 N#CCOc1ncccn1 1P028PTX [0,1,0,0,0,1|1,0,1]=4 1309 B10R1.17 NCCCc1ccccn1 1P001OQL [0,1,0,0,0,1|2,0,0]=4 1310 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,1,0,0,0,1|2,0,0]=4 1311 B10R1.17 NCCCc1cccnc1 1P003IJD [0,1,0,0,0,1|2,0,0]=4 1312 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,1,0,0,0,1|2,0,0]=4 1313 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,1,0,0,0,1|2,0,0]=4 1314 B10R1.17 NCCCc1ccncn1 1P028A28 [0,1,0,0,0,1|2,0,0]=4 1315 B10R1.17 NCCCc1cnccn1 1P01A20P [0,1,0,0,0,1|2,0,0]=4 1316 B10R1.17 NCCCc1nccnc1 1P028JZE [0,1,0,0,0,1|2,0,0]=4 1317 B10R1.17 NCCNc1ccccn1 1P005U60 [0,1,0,0,0,1|2,0,0]=4 1318 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,1,0,0,0,1|2,0,0]=4 1319 B10R1.17 NCCNc1cccnn1 1P01AAKT [0,1,0,0,0,1|2,0,0]=4 1320 B10R1.17 NCCNc1cccnn1 1P01EKLI [0,1,0,0,0,1|2,0,0]=4 1321 B10R1.17 NCCNc1cnccn1 1P019MGE [0,1,0,0,0,1|2,0,0]=4 1322 B10R1.17 NCCNc1ncccn1 1P00141N [0,1,0,0,0,1|2,0,0]=4 1323 B10R1.17 NCCNc1ncccn1 1P01B2V0 [0,1,0,0,0,1|2,0,0]=4 1324 B10R1.17 NCCOc1ccccc1 1P0021OC [0,1,0,0,0,1|2,0,0]=4 1325 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,1,0,0,0,1|2,0,0]=4 1326 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,1,0,0,0,1|1,0,0]=3 1327 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,1,0,0,0,1|1,0,0]=3 1328 B10R1.17 NCCOc1cccnc1 1P0032JP [0,1,0,0,0,1|1,0,0]=3 1329 B10R1.17 NCCOc1ccncc1 1P00DK84 [0,1,0,0,0,1|2,0,0]=4 1330 B10R1.17 NCCOc1ncccn1 1P024VFV [0,1,0,0,0,1|1,0,0]=3 1331 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,1,0,0,0,1|1,1,0]=4 1332 B10R1.17 NCCSc1ncccn1 1P028BWD [0,1,0,0,0,1|1,1,0]=4 1333 B10R1.17 O=CCOc1ccccn1 1P01C7JG [0,1,0,0,0,1|1,0,1]=4 1334 B10R1.17 OCCCc1ccccn1 1P002W8D [0,1,0,0,0,1|2,0,0]=4 1335 B10R1.17 OCCCc1ccccn1 1P003II3 [0,1,0,0,0,1|2,0,0]=4 1336 B10R1.17 OCCCc1cccnc1 1P002W8E [0,1,0,0,0,1|2,0,0]=4 1337 B10R1.17 OCCCc1ccncn1 1P007B3A [0,1,0,0,0,1|2,0,0]=4 1338 B10R1.17 OCCNc1ccccn1 1P00GWAF [0,1,0,0,0,1|2,0,0]=4 1339 B10R1.17 OCCNc1ccccn1 1P01F2SN [0,1,0,0,0,1|2,0,0]=4 1340 B10R1.17 OCCNc1cccnc1 1P028RNR [0,1,0,0,0,1|2,0,0]=4 1341 B10R1.17 OCCNc1cccnn1 1P019UHH [0,1,0,0,0,1|2,0,0]=4 1342 B10R1.17 OCCNc1ccncn1 1P00AZKO [0,1,0,0,0,1|2,0,0]=4 1343 B10R1.17 OCCNc1cnccn1 1P01BUDW [0,1,0,0,0,1|2,0,0]=4 1344 B10R1.17 OCCNc1ncccn1 1P00AZOO [0,1,0,0,0,1|2,0,0]=4 1345 B10R1.17 OCCOc1ccccc1 1P0033W0 [0,1,0,0,0,1|2,0,0]=4 1346 B10R1.17 OCCOc1cccnc1 1P000QDL [0,1,0,0,0,1|1,0,0]=3 1347 B10R1.17 OCCSc1ccccn1 1P008PC7 [0,1,0,0,0,1|1,1,0]=4 1348 B10R1.17 OCCSc1ncccn1 1P01B5F9 [0,1,0,0,0,1|1,1,0]=4 1349 B10R1.17 SCCOc1ccccc1 1P0037FU [0,1,0,0,0,1|2,0,0]=4 1350 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,1,0,0,0,1|1,0,1]=4 1351 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,1,0,0,0,1|2,0,0]=4 1352 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,1,0,0,0,1|2,0,0]=4 1353 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,1,0,0,0,1|2,0,0]=4 1354 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,1,0,0,0,1|2,0,0]=4 1355 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,1,0,0,0,1|2,0,0]=4 1356 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,1,0,0,0,1|2,0,0]=4 1357 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,1,0,0,0,1|2,0,0]=4 1358 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,1,0,0,0,1|2,0,0]=4 1359 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [0,1,0,0,0,1|2,0,0]=4 1360 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [0,1,0,0,0,1|2,0,0]=4 1361 B10R1.18 CC(Nc1cccnn1)C 1P00A0MP [0,1,0,0,0,1|2,0,0]=4 1362 B10R1.18 CC(Nc1ncccn1)C 1P007434 [0,1,0,0,0,1|2,0,0]=4 1363 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,1,0,0,0,1|2,0,0]=4 1364 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [0,1,0,0,0,1|1,0,0]=3 1365 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [0,1,0,0,0,1|1,0,0]=3 1366 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [0,1,0,0,0,1|2,0,0]=4 1367 B10R1.18 FC(Oc1cccnc1)F 1P019XOW [0,1,0,0,0,1|2,0,0]=4 1368 B10R1.14 CC(c1nc(cs1)C)CN 1P008VMB [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.14 CC(c1ncc(s1)C)CN 1P01A7JW [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.14 CC(c1nnc(s1)N)CC 1P00EE98 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.14 CCC(=O)c1ccc(s1)Br 1P00C149 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.14 CCC(=O)c1ccc(s1)Cl 1P007GM7 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.14 CCC(=O)c1scc(n1)C 1P0012U5 [0,2,0,0,0,0|1,0,0]=3 1375 B10R1.14 CCC(c1[nH]cc(n1)C)N 1P008VZT [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.14 CCC(c1[nH]cc(n1)C)N 1P00J2U3 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.14 CCC(c1ccc(s1)Cl)N 1P00I65J [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.14 CCC(c1ncc(s1)C)N 1P01AKED [0,2,0,0,0,0|1,0,0]=3 1379 B10R1.14 CCC(c1ncc(s1)C)N 1P028Y83 [0,2,0,0,0,0|1,0,0]=3 1380 B10R1.14 CCC(c1ncc(s1)Cl)N 1P0289SM [0,2,0,0,0,0|1,0,0]=3 1381 B10R1.14 CCC(c1scc(n1)C)N 1P01ABH1 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.14 CNC(=O)c1ncc(s1)Br 1P01DN9Q [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.14 COC(=O)c1nc(cs1)Br 1P00085F [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.14 COC(=O)c1nc(cs1)Cl 1P0249CB [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.14 COC(=O)c1ncc(s1)Br 1P008ZJD [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.14 COC(=O)c1ncc(s1)C 1P00G614 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.14 COC(=O)c1ncc(s1)I 1P027U0R [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.14 COC(=O)c1ncc(s1)N 1P019GQN [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.14 COC(=O)c1scc(n1)C 1P001DHO [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.16 CCCCc1nnc(s1)Br 1P028ZQ3 [0,2,0,0,0,0|2,0,0]=4 1391 B10R1.16 CCCCc1nnc(s1)N 1P001D5D [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.16 CCCNc1n[nH]c(=S)s1 1P000PFB [0,2,0,0,0,0|2,0,0]=4 1393 B10R1.16 CCCSc1nnc(s1)Br 1P028T9M [0,2,0,0,0,0|1,1,0]=4 1394 B10R1.16 CCCSc1nnc(s1)N 1P00BIVL [0,2,0,0,0,0|1,1,0]=4 1395 B10R1.16 CCNCc1ccc(s1)Br 1P00IE14 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.16 CCNCc1ccc(s1)Br 1P028SU1 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.16 CCNCc1ccc(s1)Cl 1P00IE0B [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.16 CCOCc1cc(cs1)Br 1P00HBAW [0,2,0,0,0,0|1,0,0]=3 1399 B10R1.16 CCOCc1csc(n1)N 1P00Q78O [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.16 CCOCc1nnc(o1)N 1P018ND4 [0,2,0,0,0,0|1,1,0]=4 1401 B10R1.16 CCOCc1nnc(s1)Br 1P028JJF [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.16 CCOCc1nnc(s1)N 1P00ADKZ [0,2,0,0,0,0|1,0,0]=3 1403 B10R1.16 CCOCn1cc(cn1)N 1P00JF4G [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.16 CNCCc1ncc(s1)C 1P028XVQ [0,2,0,0,0,0|1,0,0]=3 1405 B10R1.16 CNCCc1scc(n1)C 1P02917Q [0,2,0,0,0,0|1,0,0]=3 1406 B10R1.16 COCCc1ccc(s1)Br 1P028LX1 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.16 COCCc1nnc(s1)Br 1P024MCB [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.16 COCCc1nnc(s1)N 1P00AQ8C [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.16 CSCCc1nnc(s1)N 1P000D1R [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.16 Cc1ccc(s1)CCCN 1P00016G [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.16 Cc1csc(n1)CCCN 1P008W37 [0,2,0,0,0,0|1,0,0]=3 1412 B10R1.16 Cc1nnc(s1)CCCN 1P01FJTV [0,2,0,0,0,0|2,0,0]=4 1413 B10R1.16 NCCCc1ccc(s1)Cl 1P01B1O7 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.16 NCCCc1ccc(s1)Cl 1P027WSC [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.16 NCCCc1nnc(s1)N 1P00J2A2 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.16 NCCCc1scc(n1)C 1P00J1N3 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.16 NCCNc1scc(n1)C 1P01C2QI [0,2,0,0,0,0|1,0,0]=3 1418 B10R1.16 NCCSc1nnc(s1)C 1P00J1TP [0,2,0,0,0,0|1,1,0]=4 1419 B10R1.16 NCCSc1scc(n1)C 1P028BG1 [0,2,0,0,0,0|0,1,0]=3 1420 B10R1.16 OCCCc1cc(cs1)Br 1P01BC6P [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.54 CC(=O)Nc1ncc(s1)Br 1P005F39 [0,2,0,0,0,0|1,0,1]=4 1422 B10R1.54 CC(=O)Nc1ncc(s1)Cl 1P0028RP [0,2,0,0,0,0|1,0,1]=4 1423 B10R1.54 CC(=O)Nc1ncc(s1)I 1P00CH7S [0,2,0,0,0,0|1,0,1]=4 1424 B10R1.54 CC(=O)Nc1scc(n1)C 1P003STU [0,2,0,0,0,0|1,0,1]=4 1425 B10R1.54 CC(Cc1ccc(s1)Br)C 1P01C7XX [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.54 CC(Cc1ccc(s1)C)N 1P01AKCX [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.54 CC(Cc1ccc(s1)Cl)N 1P01E17F [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.54 CC(Cc1ccc(s1)Cl)O 1P01A36V [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.54 CC(Cc1nnc(s1)Br)C 1P00J8MT [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.54 CC(Cc1nnc(s1)N)C 1P00DDIK [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.54 CC(Cc1scc(n1)C)C 1P003BP8 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.54 CC(Cc1scc(n1)C)O 1P01DX9M [0,2,0,0,0,0|1,0,0]=3 1433 B10R1.54 CC(Nc1nnc(s1)C)C 1P01BEOD [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.54 CC(Nc1nnc(s1)S)C 1P019K1Z [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.54 CC(Oc1ncc(s1)Br)C 1P01KARG [0,2,0,0,0,0|0,0,0]=2 1436 B10R1.54 CC(Oc1nnc(s1)S)C 1P01EJ9R [0,2,0,0,0,0|1,0,0]=3 1437 B10R1.54 CC(Sc1nnc(s1)N)C 1P00C2NU [0,2,0,0,0,0|1,1,0]=4 1438 B10R1.54 CC(Sc1nnc(s1)S)C 1P00EDLB [0,2,0,0,0,0|1,1,0]=4 1439 B10R1.94 CCOc1noc(c1Br)C 1P007B3M [0,2,0,0,0,0|2,0,0]=4 1440 B10R1.96 CCCc1ccc(s1)C=O 1P00C0HA [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.96 CCCc1nc(co1)C#N 1P01BHG9 [0,2,0,0,0,0|1,1,0]=4 1442 B10R1.96 CCCc1ncc(o1)CN 1P01C1ZV [0,2,0,0,0,0|1,1,0]=4 1443 B10R1.96 CCCc1ncc(s1)C=O 1P00F4TQ [0,2,0,0,0,0|1,0,0]=3 1444 B10R1.96 CCCc1nnc(s1)CCl 1P01A3K0 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.96 CCCc1scc(n1)CCl 1P0077ES [0,2,0,0,0,0|1,0,0]=3 1446 B10R1.96 CCCc1scc(n1)CN 1P00J29J [0,2,0,0,0,0|1,0,0]=3 1447 B10R1.96 CCNc1ncc(s1)C=O 1P028P0J [0,2,0,0,0,0|1,0,0]=3 1448 B10R1.96 CCNc1scc(n1)CCl 1P01B33I [0,2,0,0,0,0|1,0,0]=3 1449 B10R1.96 CCOc1ccc(o1)C=O 1P006LCG [0,2,0,0,0,0|1,1,0]=4 1450 B10R1.96 CCOc1ncc(s1)C=O 1P00CGNP [0,2,0,0,0,0|0,0,0]=2 1451 B10R1.96 CCOc1nnc(s1)CCl 1P018SDJ [0,2,0,0,0,0|1,0,0]=3 1452 B10R1.96 CCOc1occ(n1)CO 1P01ALRH [0,2,0,0,0,0|0,1,0]=3 1453 B10R1.96 CNCc1ncc(s1)CC 1P019U3W [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.96 COCc1nc(cs1)C=O 1P00GMIC [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.96 COCc1nc(cs1)CCl 1P019SWL [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.96 COCc1nc(cs1)CO 1P028G35 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.96 COCc1ncc(s1)CO 1P01BD4Z [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.96 CSCc1nc(cs1)CN 1P00J2I2 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.96 NCCc1ncc(s1)CC 1P019SUZ [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.96 NCCc1scc(n1)CC 1P00J1UD [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.130 CCOc1nn(cc1N)C 1P01AP59 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.130 CCOc1nn(cc1N)C 1P01DWIB [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.130 CCOc1sc(nc1Br)C 1P0041W7 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.130 CCOc1sc(nc1I)C 1P028XMQ [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.131 CCCc1[nH]c(c(n1)I)I 1P01DG9H [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.131 NCCc1sc(c(n1)C)C 1P00H5OQ [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.131 NCCc1sc(c(n1)C)C 1P00J1UC [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.131 OCCc1sc(c(n1)C)C 1P01AV8Z [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.6 CCC(c1nccs1)(N)C 1P01AKMC [0,2,0,0,0,0|1,0,0]=3 1470 B10R1.6 CCC(c1nccs1)(N)C 1P01AL0O [0,2,0,0,0,0|1,0,0]=3 1471 B10R1.6 OCC(c1nccs1)(F)F 1P01B1T3 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.9 CCC(c1nccs1)C#N 1P028U3E [0,2,0,0,0,0|1,0,0]=3 1473 B10R1.9 CCN(c1nccs1)CC 1P019PGQ [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.11 C=CCS(=O)c1nccs1 1P028C66 [0,2,0,0,0,0|0,1,1]=4 1475 B10R1.11 CCCC(=O)c1cccs1 1P003I8J [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.11 CCCC(c1cccs1)N 1P00DD2X [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.11 CCCC(c1cccs1)N 1P00J2EV [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.11 CCCC(c1nccs1)O 1P01EMVF [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.11 CCOC(=N)c1cccs1 1P00IA7Z [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.11 CCOC(=N)c1nnc[nH]1 1P01FLFB [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.11 CCOC(=O)c1cc[nH]n1 1P002LCF [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.11 CCOC(=O)c1ccc[nH]1 1P003QHF [0,2,0,0,0,0|1,0,1]=4 1484 B10R1.11 CCOC(=O)c1ccco1 1P003QKU [0,2,0,0,0,0|1,1,0]=4 1485 B10R1.11 CCOC(=O)c1cccs1 1P003QM3 [0,2,0,0,0,0|1,0,0]=3 1486 B10R1.11 CCOC(=O)c1ccon1 1P00C75R [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.11 CCOC(=O)c1cncs1 1P007ITV [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.11 CCOC(=O)c1cncs1 1P01EKJQ [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.11 CCOC(=O)c1cocn1 1P002MBM [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.11 CCOC(=O)c1cscn1 1P001L75 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.11 CCOC(=O)c1n[nH]cn1 1P00EKBH [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.11 CCOC(=O)c1ncc[nH]1 1P003QW4 [0,2,0,0,0,0|1,0,0]=3 1493 B10R1.11 CCOC(=O)c1ncco1 1P0037UB [0,2,0,0,0,0|0,1,0]=3 1494 B10R1.11 CCOC(=O)c1nccs1 1P001L76 [0,2,0,0,0,0|0,0,0]=2 1495 B10R1.11 CCOC(=O)c1ncns1 1P00H3GM [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.11 CCOC(=O)c1nncs1 1P009KGY [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.11 CCOC(=O)c1nocn1 1P003QGW [0,2,0,0,0,0|2,0,0]=4 1498 B10R1.11 CCOC(c1ncc[nH]1)C 1P019SNT [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.11 CCOC(n1cccn1)C 1P002WXV [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,2,0,0,0,0|2,0,0]=4 1501 B10R1.11 CNCC(c1nccs1)C 1P01A76F [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.11 COCC(c1nccs1)O 1P01BFRY [0,2,0,0,0,0|1,0,0]=3 1503 B10R1.11 ClCCC(=O)c1cccs1 1P00CBGQ [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.11 OCCC(c1cccs1)N 1P00FI10 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.11 OCC[C@H](c1nccs1)N 1P028VZ3 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.23 CC(C(=O)c1cccs1)Br 1P005AFP [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.23 CC(C(=O)c1cccs1)C 1P00C8SW [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.23 CC(C(c1cccs1)N)C 1P00D9Y8 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.23 CC(C(c1ncc[nH]1)N)C 1P01B294 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.23 CC(C(c1ncc[nH]1)O)C 1P0285HW [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.23 CC(C(c1nccs1)Cl)C 1P027Y6B [0,2,0,0,0,0|1,0,0]=3 1513 B10R1.23 CC(C(c1nccs1)N)C 1P01XBXS [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.149 CCC(=O)c1nccn1C 1P01A388 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.149 CCC(=O)c1sccc1Cl 1P01BICY [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.149 CCC(c1nccn1C)N 1P027VW2 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.149 CCC(c1sccc1C)N 1P01ASWS [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.21 C#CCOCc1nccs1 1P027V6O [0,2,0,0,0,0|0,0,1]=3 1519 B10R1.21 CCCCCc1cccs1 1P003BQ3 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.21 CCNCCc1cccs1 1P019MCF [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.21 CCNCCc1nccs1 1P01A2XJ [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.21 ClCCNCc1cccs1 1P027UDL [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.21 NCCCCc1cccs1 1P028R9O [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.21 NCCCCc1ncc[nH]1 1P01AMSS [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.21 NCCCCc1nccs1 1P01AAIJ [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.21 NCCCSc1nccs1 1P01AIFR [0,2,0,0,0,0|0,1,0]=3 1527 B10R1.21 OCCCCc1nccs1 1P01B9VS [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.21 OCCNCc1cccs1 1P006GE7 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.21 OCCSCc1nccs1 1P01BV4O [0,2,0,0,0,0|0,1,0]=3 1530 B10R1.27 BrCC(=O)Nc1nccs1 1P00FM0Q [0,2,0,0,0,0|1,0,1]=4 1531 B10R1.27 CC(C#C)Sc1nncs1 1P028QZ5 [0,2,0,0,0,0|1,1,0]=4 1532 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.27 COC(=O)Cc1nccs1 1P01BHVY [0,2,0,0,0,0|1,0,1]=4 1535 B10R1.27 ClCC(=O)Nc1nccs1 1P00DDHA [0,2,0,0,0,0|1,0,1]=4 1536 B10R1.27 NCC(=O)Nc1nccs1 1P00J2EN [0,2,0,0,0,0|1,0,1]=4 1537 B10R1.27 NCC(=O)Nc1nccs1 1P019X28 [0,2,0,0,0,0|1,0,1]=4 1538 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.27 OCC(Cc1cccs1)N 1P01EMU8 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.27 OCC(Cc1nccs1)N 1P01EMWK [0,2,0,0,0,0|1,0,0]=3 1541 B10R1.29 CCNCc1nccn1C 1P00EC9R [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.29 NCCSc1nccn1C 1P007KGK [0,2,0,0,0,0|1,1,0]=4 1543 B10R1.29 NCCSc1nccn1C 1P00J1E8 [0,2,0,0,0,0|1,1,0]=4 1544 B10R1.29 OCCCc1nccn1C 1P01AGOT [0,2,0,0,0,0|2,0,0]=4 1545 B10R1.66 CC(=O)CCc1nccs1 1P00H5XS [0,2,0,0,0,0|1,0,0]=3 1546 B10R1.66 CC(=O)CSc1nncs1 1P019LU2 [0,2,0,0,0,0|1,1,0]=4 1547 B10R1.66 CC(NCc1cccs1)C 1P00JTSQ [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.66 CC(NCc1ncc[nH]1)C 1P00JDJ6 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.66 FC(COc1cc[nH]n1)F 1P0286YG [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.66 OC(=O)CCc1nccs1 1P001JI3 [0,2,0,0,0,0|1,0,1]=4 1551 B10R1.66 OC(=O)CNc1nccs1 1P018SPW [0,2,0,0,0,0|1,0,1]=4 1552 B10R1.66 OC(=O)CSc1nccs1 1P00F045 [0,2,0,0,0,0|0,1,1]=4 1553 B10R1.64 CC(Cc1nccn1C)N 1P01DXAR [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.64 CC(Nc1nccn1C)C 1P01BEO5 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.281 CC(Nc1nccs1)(C)C 1P01AKP4 [0,2,0,0,0,0|1,0,0]=3 1556 B10R1.281 CC(Oc1cc[nH]n1)(C)C 1P028C2F [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.281 FC(Cc1nccs1)(F)F 1P01FLF6 [0,2,0,0,0,0|2,0,0]=4 1558 B8R1.2 CCc1ccccn1 1P0000NJ [0,0,1,1,0,0|2,0,0]=4 1559 B8R1.2 CCc1cccnc1 1P00DE9B [0,0,1,1,0,0|2,0,0]=4 1560 B8R1.2 CCc1cnccn1 1P003HNC [0,0,1,1,0,0|2,0,0]=4 1561 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [0,0,1,1,0,0|1,0,1]=4 1562 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [0,0,1,1,0,0|1,0,1]=4 1563 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [0,0,1,1,0,0|0,0,2]=4 1564 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [0,0,0,1,0,1|2,0,0]=4 1565 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [0,0,0,1,0,1|2,0,0]=4 1566 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [0,0,0,1,0,1|2,0,0]=4 1567 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [0,0,0,1,0,1|2,0,0]=4 1568 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [0,0,0,1,0,1|2,0,0]=4 1569 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [0,0,0,1,0,1|2,0,0]=4 1570 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [0,0,0,1,0,1|2,0,0]=4 1571 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [0,0,0,1,0,1|2,0,0]=4 1572 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [0,0,0,1,0,1|2,0,0]=4 1573 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [0,0,0,1,0,1|2,0,0]=4 1574 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [0,0,0,1,0,1|2,0,0]=4 1575 B10R2.7 c1cnc2c(c1)OCO2 1P005KA4 [0,0,0,1,0,1|2,0,0]=4 1576 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [0,0,0,1,0,1|2,0,0]=4 1577 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [0,0,0,1,0,1|2,0,0]=4 1578 B10R2.2 Brc1cn2c(n1)CCC2 1P01C45D [0,1,0,1,0,0|2,0,0]=4 1579 B10R2.2 Brc1cn2c(n1)OCC2 1P027WPT [0,1,0,1,0,0|1,0,0]=3 1580 B10R2.2 Brc1sc2c(c1)CCC2 1P023PJ2 [0,1,0,1,0,0|2,0,0]=4 1581 B10R2.2 Clc1cn2c(n1)CCC2 1P01DDFC [0,1,0,1,0,0|2,0,0]=4 1582 B10R2.2 OC1Cn2c(C1)ncc2 1P0014FC [0,1,0,1,0,0|2,0,0]=4 1583 B10R2.2 O[C@H]1Cn2c(C1)ncc2 1P00AE2C [0,1,0,1,0,0|2,0,0]=4 1584 B10R2.14 Brc1ccc(s1)C2CC2 1P01A263 [0,1,0,1,0,0|2,0,0]=4 1585 B10R2.14 Brc1cnc(o1)C2CC2 1P01B4GI [0,1,0,1,0,0|1,1,0]=4 1586 B10R2.14 Brc1cnc(s1)C2CC2 1P00930B [0,1,0,1,0,0|1,0,0]=3 1587 B10R2.14 Brc1csc(n1)C2CC2 1P0092Z9 [0,1,0,1,0,0|1,0,0]=3 1588 B10R2.14 Brc1nc([nH]c1)C2CC2 1P01DVLA [0,1,0,1,0,0|2,0,0]=4 1589 B10R2.14 Brc1nnc(s1)C2CC2 1P00GYX9 [0,1,0,1,0,0|2,0,0]=4 1590 B10R2.14 Brc1nsc(n1)C2CC2 1P025GI9 [0,1,0,1,0,0|2,0,0]=4 1591 B10R2.14 Clc1nsc(n1)C2CC2 1P01FNEU [0,1,0,1,0,0|2,0,0]=4 1592 B10R2.14 Ic1cnc(o1)C2CC2 1P023ZV2 [0,1,0,1,0,0|1,1,0]=4 1593 B10R2.14 Ic1nc([nH]c1)C2CC2 1P008OXB [0,1,0,1,0,0|2,0,0]=4 1594 B10R2.14 Nc1nnc(s1)C2CC2 1P003GXL [0,1,0,1,0,0|2,0,0]=4 1595 B10R2.14 Nc1nnc(s1)C2CC2 1P01A6DU [0,1,0,1,0,0|2,0,0]=4 1596 B10R2.14 Nc1nsc(n1)C2CC2 1P01EJRT [0,1,0,1,0,0|2,0,0]=4 1597 B10R2.14 Sc1nnc(s1)C2CC2 1P00FY8I [0,1,0,1,0,0|2,0,0]=4 1598 B10R2.32 Brc1cnc2n1CCC2 1P00GSX8 [0,1,0,1,0,0|2,0,0]=4 1599 B10R2.32 Nc1cnc2n1CCC2 1P027TNA [0,1,0,1,0,0|2,0,0]=4 1600 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [0,1,0,1,0,0|2,0,0]=4 1601 B10R2.32 O=C1CCn2c1ncc2 1P009QJN [0,1,0,1,0,0|2,0,0]=4 1602 B10R2.32 OC1CCn2c1ncc2 1P003A8S [0,1,0,1,0,0|2,0,0]=4 1603 B10R2.32 O[C@@H]1CCn2c1ncc2 1P01E6N8 [0,1,0,1,0,0|2,0,0]=4 1604 B10R2.32 O[C@H]1CCn2c1ncc2 1P01RFUB [0,1,0,1,0,0|2,0,0]=4 1605 B10R2.16 NC1(CC1)c2cccs2 1P00HTAN [0,1,0,1,0,0|2,0,0]=4 1606 B10R2.16 NC1(CC1)c2ncc[nH]2 1P01FJW2 [0,1,0,1,0,0|2,0,0]=4 1607 B10R2.16 NC1(CC1)c2ncco2 1P028VVU [0,1,0,1,0,0|1,1,0]=4 1608 B10R2.16 OC1(CC1)c2cccs2 1P00H4QG [0,1,0,1,0,0|2,0,0]=4 1609 B10R2.136 C1CC(C1)c2cccs2 1P028TM9 [0,1,0,1,0,0|2,0,0]=4 1610 B10R2.136 C1CC(C1)c2ncc[nH]2 1P003HL6 [0,1,0,1,0,0|2,0,0]=4 1611 B10R2.136 C1CC(C1)c2ncco2 1P01BZSX [0,1,0,1,0,0|1,1,0]=4 1612 B10R2.136 N1CC(C1)c2ncc[nH]2 1P01FKVP [0,1,0,1,0,0|2,0,0]=4 1613 B10R2.136 N1CC(C1)c2ncco2 1P027Z5D [0,1,0,1,0,0|1,1,0]=4 1614 B10R2.136 N1CC(C1)c2nccs2 1P024OXW [0,1,0,1,0,0|1,0,0]=3 1615 B10R2.136 N1CC(C1)c2scnn2 1P028ECF [0,1,0,1,0,0|2,0,0]=4 1616 B10R2.193 c1csc(n1)NC2CC2 1P0288BX [0,1,0,1,0,0|1,0,0]=3