0 B8R1.8 BrCCC1CCC=C1 1P0285S5 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 BrCCc1c[nH]nc1 1P01AVGB [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 BrCCc1cccs1 1P002TU6 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 BrCCc1ccon1 1P027ZTK [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 BrCCc1cnco1 1P024SG9 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.8 BrCCc1cncs1 1P01BBZH [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 BrCCc1conc1 1P01C1RD [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 BrCCc1cscc1 1P00EEU2 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 BrCCc1cscn1 1P01FIOL [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 BrCCc1ncco1 1P027XM1 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.8 BrCCn1cccc1 1P003DA3 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 BrCCn1cccn1 1P000IZ7 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 BrCCn1cccn1 1P01C29K [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 BrCCn1ccnn1 1P00HBLT [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 BrCCn1cncc1 1P00J1QP [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 BrCCn1cncn1 1P00IDEF [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 BrCCn1cncn1 1P00J1QC [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 BrCCn1nccn1 1P000S1W [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 C#CCn1cccc1 1P002EU6 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.8 C#CCn1cccn1 1P00735X [0,0,0,0,0,0|3,0,1]=4 21 B8R1.8 C(c1cc[nH]n1)C#N 1P009CGM [0,0,0,0,0,0|2,0,2]=4 22 B8R1.8 C(c1ccno1)C#N 1P00G5QL [0,0,0,0,0,0|1,1,2]=4 23 B8R1.8 C(c1ccon1)C#N 1P00DJRN [0,0,0,0,0,0|2,0,2]=4 24 B8R1.8 C(c1ccsn1)C#N 1P001ID3 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.8 C(c1cnc[nH]1)C#N 1P00383M [0,0,0,0,0,0|2,0,2]=4 26 B8R1.8 C(c1cncs1)C#N 1P00DJRR [0,0,0,0,0,0|1,0,2]=3 27 B8R1.8 C(c1cocn1)C#N 1P027CXA [0,0,0,0,0,0|2,0,2]=4 28 B8R1.8 C(c1cscn1)C#N 1P005R7Z [0,0,0,0,0,0|2,0,2]=4 29 B8R1.8 C(c1nncs1)C#N 1P01QZCB [0,0,0,0,0,0|2,0,2]=4 30 B8R1.8 C=CCn1cccc1 1P01ABLC [0,0,0,0,0,0|3,0,1]=4 31 B8R1.8 C=CCn1cccn1 1P00CLDO [0,0,0,0,0,0|3,0,1]=4 32 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 CCCc1cc[nH]n1 1P005UQF [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 CCCc1ccc[nH]1 1P007FSL [0,0,0,0,0,0|2,0,0]=2 35 B8R1.8 CCCc1cccs1 1P003IDK [0,0,0,0,0,0|1,0,0]=1 36 B8R1.8 CCCc1cocn1 1P023RY6 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 CCCc1cscc1 1P003KB0 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.8 CCCc1n[nH]cn1 1P00J2TN [0,0,0,0,0,0|4,0,0]=4 39 B8R1.8 CCCc1ncc[nH]1 1P003IDI [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 CCCc1nccs1 1P00250A [0,0,0,0,0,0|2,0,0]=2 41 B8R1.8 CCCc1ncn[nH]1 1P002CI3 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 CCCn1cccn1 1P003F3X [0,0,0,0,0,0|3,0,0]=3 43 B8R1.8 CCCn1cncc1 1P0032P5 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 CCNc1cc[nH]n1 1P02809P [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 CCNc1cscc1 1P027WY1 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 CCNc1ncc[nH]1 1P01A1SZ [0,0,0,0,0,0|4,0,0]=4 47 B8R1.8 CCNc1nccs1 1P009VZC [0,0,0,0,0,0|3,0,0]=3 48 B8R1.8 CCNc1nccs1 1P00IGOJ [0,0,0,0,0,0|3,0,0]=3 49 B8R1.8 CCNc1nncs1 1P0011KL [0,0,0,0,0,0|4,0,0]=4 50 B8R1.8 CCOc1c[nH]cn1 1P027U2Z [0,0,0,0,0,0|4,0,0]=4 51 B8R1.8 CCOc1cc[nH]n1 1P00ELSD [0,0,0,0,0,0|4,0,0]=4 52 B8R1.8 CCOc1cccs1 1P01HY7F [0,0,0,0,0,0|2,0,0]=2 53 B8R1.8 CCOc1cnco1 1P001MYR [0,0,0,0,0,0|3,1,0]=4 54 B8R1.8 CCOc1cscc1 1P000BFR [0,0,0,0,0,0|4,0,0]=4 55 B8R1.8 CCOc1nc[c-]s1 1P00D8GG [0,0,0,0,0,0|3,0,1]=4 56 B8R1.8 CCOc1nccs1 1P001PGN [0,0,0,0,0,0|3,0,0]=3 57 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.8 CNCc1cc[nH]n1 1P028LFR [0,0,0,0,0,0|4,0,0]=4 59 B8R1.8 CNCc1ccc[nH]1 1P002S02 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.8 CNCc1ccc[nH]1 1P027XEF [0,0,0,0,0,0|3,0,0]=3 61 B8R1.8 CNCc1ccco1 1P00D8RX [0,0,0,0,0,0|2,1,0]=3 62 B8R1.8 CNCc1cccs1 1P003TMJ [0,0,0,0,0,0|2,0,0]=2 63 B8R1.8 CNCc1cccs1 1P003TMK [0,0,0,0,0,0|2,0,0]=2 64 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [0,0,0,0,0,0|4,0,0]=4 65 B8R1.8 CNCc1ccon1 1P002ZO4 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.8 CNCc1ccon1 1P008SBA [0,0,0,0,0,0|4,0,0]=4 67 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [0,0,0,0,0,0|4,0,0]=4 68 B8R1.8 CNCc1cnco1 1P028CGH [0,0,0,0,0,0|3,1,0]=4 69 B8R1.8 CNCc1cncs1 1P00H3L5 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.8 CNCc1cocc1 1P002MAS [0,0,0,0,0,0|4,0,0]=4 71 B8R1.8 CNCc1cocn1 1P027V8U [0,0,0,0,0,0|4,0,0]=4 72 B8R1.8 CNCc1cscc1 1P002LC2 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.8 CNCc1cscc1 1P01EJFU [0,0,0,0,0,0|4,0,0]=4 74 B8R1.8 CNCc1cscn1 1P0081AQ [0,0,0,0,0,0|4,0,0]=4 75 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [0,0,0,0,0,0|4,0,0]=4 76 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.8 CNCc1ncco1 1P027WJR [0,0,0,0,0,0|3,1,0]=4 78 B8R1.8 CNCc1nccs1 1P001JI2 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.8 CNCc1nccs1 1P00J1AR [0,0,0,0,0,0|3,0,0]=3 80 B8R1.8 CNCc1ncsc1 1P00J1AI [0,0,0,0,0,0|4,0,0]=4 81 B8R1.8 CNCc1scnn1 1P028DCU [0,0,0,0,0,0|4,0,0]=4 82 B8R1.8 COCc1c[nH]cn1 1P00IF42 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.8 COCc1cc[nH]n1 1P01DZQW [0,0,0,0,0,0|4,0,0]=4 84 B8R1.8 COCc1cccs1 1P001LLJ [0,0,0,0,0,0|2,0,0]=2 85 B8R1.8 COCc1ccns1 1P01FL4P [0,0,0,0,0,0|3,0,0]=3 86 B8R1.8 COCc1cncs1 1P027XKB [0,0,0,0,0,0|3,0,0]=3 87 B8R1.8 COCc1cscc1 1P028GT6 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.8 COCc1ncc[nH]1 1P0008HA [0,0,0,0,0,0|4,0,0]=4 89 B8R1.8 COCn1cccc1 1P00ID6X [0,0,0,0,0,0|4,0,0]=4 90 B8R1.8 COCn1cccn1 1P000NFN [0,0,0,0,0,0|4,0,0]=4 91 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [0,0,0,0,0,0|4,0,0]=4 92 B8R1.8 CSCc1ccco1 1P003R63 [0,0,0,0,0,0|2,1,0]=3 93 B8R1.8 ClCCc1c[nH]cn1 1P009I67 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.8 ClCCc1c[nH]nc1 1P008TP8 [0,0,0,0,0,0|4,0,0]=4 95 B8R1.8 ClCCc1c[nH]nc1 1P00DB8G [0,0,0,0,0,0|4,0,0]=4 96 B8R1.8 ClCCc1c[nH]nn1 1P01AMF3 [0,0,0,0,0,0|4,0,0]=4 97 B8R1.8 ClCCc1cccs1 1P002CY4 [0,0,0,0,0,0|1,0,0]=1 98 B8R1.8 ClCCc1ccsn1 1P01EM7P [0,0,0,0,0,0|3,0,0]=3 99 B8R1.8 ClCCc1cnc[nH]1 1P00EG0N [0,0,0,0,0,0|3,0,0]=3 100 B8R1.8 ClCCc1cncs1 1P01AML1 [0,0,0,0,0,0|2,0,0]=2 101 B8R1.8 ClCCc1conc1 1P01AVAQ [0,0,0,0,0,0|4,0,0]=4 102 B8R1.8 ClCCc1cscn1 1P00GMD7 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.8 ClCCc1n[nH]cn1 1P02852C [0,0,0,0,0,0|4,0,0]=4 104 B8R1.8 ClCCc1ncc[nH]1 1P00J37C [0,0,0,0,0,0|3,0,0]=3 105 B8R1.8 ClCCn1cccc1 1P003DAD [0,0,0,0,0,0|3,0,0]=3 106 B8R1.8 ClCCn1cccn1 1P005UFV [0,0,0,0,0,0|3,0,0]=3 107 B8R1.8 ClCCn1cccn1 1P019Z04 [0,0,0,0,0,0|3,0,0]=3 108 B8R1.8 ClCCn1cncc1 1P002EMS [0,0,0,0,0,0|4,0,0]=4 109 B8R1.8 ClCCn1cncc1 1P00H04N [0,0,0,0,0,0|4,0,0]=4 110 B8R1.8 ClCCn1cncn1 1P00C6JP [0,0,0,0,0,0|4,0,0]=4 111 B8R1.8 ClCCn1cncn1 1P01BBWL [0,0,0,0,0,0|4,0,0]=4 112 B8R1.8 FCCn1cccn1 1P01AP74 [0,0,0,0,0,0|3,0,0]=3 113 B8R1.8 FCCn1cncc1 1P01EIRE [0,0,0,0,0,0|4,0,0]=4 114 B8R1.8 FCCn1cncn1 1P01EIRH [0,0,0,0,0,0|4,0,0]=4 115 B8R1.8 ICCn1cccn1 1P0293GI [0,0,0,0,0,0|3,0,0]=3 116 B8R1.8 ICCn1cncc1 1P028PTI [0,0,0,0,0,0|4,0,0]=4 117 B8R1.8 ICCn1cncn1 1P0286PH [0,0,0,0,0,0|4,0,0]=4 118 B8R1.8 N#CCc1c[nH]cc1 1P007SBG [0,0,0,0,0,0|2,0,2]=4 119 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [0,0,0,0,0,0|1,0,2]=3 120 B8R1.8 N#CCc1ccco1 1P00BDAE [0,0,0,0,0,0|0,1,2]=3 121 B8R1.8 N#CCc1cccs1 1P002KFF [0,0,0,0,0,0|0,0,2]=2 122 B8R1.8 N#CCc1cnns1 1P028EU0 [0,0,0,0,0,0|2,0,2]=4 123 B8R1.8 N#CCc1cocc1 1P01Q89A [0,0,0,0,0,0|2,0,2]=4 124 B8R1.8 N#CCc1cscc1 1P0014CB [0,0,0,0,0,0|2,0,2]=4 125 B8R1.8 N#CCc1ncc[nH]1 1P002MXF [0,0,0,0,0,0|2,0,2]=4 126 B8R1.8 N#CCc1ncco1 1P0050ZU [0,0,0,0,0,0|1,1,2]=4 127 B8R1.8 N#CCc1nccs1 1P0003Z1 [0,0,0,0,0,0|1,0,2]=3 128 B8R1.8 N#CCn1cccn1 1P0079QO [0,0,0,0,0,0|2,0,2]=4 129 B8R1.8 NCCC1=CCCC1 1P01A2TS [0,0,0,0,0,0|1,0,2]=3 130 B8R1.8 NCCC1CC=CC1 1P01EMFG [0,0,0,0,0,0|1,0,2]=3 131 B8R1.8 NCCC1CCC=C1 1P01DGR5 [0,0,0,0,0,0|1,0,2]=3 132 B8R1.8 NCCC1CCCS1 1P01BS3A [0,0,0,0,0,0|0,0,4]=4 133 B8R1.8 NCCC1SCCS1 1P01B7A8 [0,0,0,0,0,0|1,0,3]=4 134 B8R1.8 NCCN1CC=CC1 1P01AL5M [0,0,0,0,0,0|2,0,1]=3 135 B8R1.8 NCCc1[nH]cnc1 1P002N9R [0,0,0,0,0,0|2,0,0]=2 136 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [0,0,0,0,0,0|2,0,0]=2 137 B8R1.8 NCCc1c[nH]cn1 1P0037UP [0,0,0,0,0,0|2,0,0]=2 138 B8R1.8 NCCc1c[nH]nc1 1P00742Z [0,0,0,0,0,0|3,0,0]=3 139 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [0,0,0,0,0,0|3,0,0]=3 140 B8R1.8 NCCc1cc[nH]n1 1P0085RD [0,0,0,0,0,0|2,0,0]=2 141 B8R1.8 NCCc1cc[nH]n1 1P009FIS [0,0,0,0,0,0|2,0,0]=2 142 B8R1.8 NCCc1ccc[nH]1 1P003F9F [0,0,0,0,0,0|1,0,0]=1 143 B8R1.8 NCCc1ccco1 1P003HT8 [0,0,0,0,0,0|0,1,0]=1 144 B8R1.8 NCCc1ccco1 1P00J3S8 [0,0,0,0,0,0|0,1,0]=1 145 B8R1.8 NCCc1cccs1 1P0030KO [0,0,0,0,0,0|0,0,0]=0 146 B8R1.8 NCCc1ccno1 1P01BRWE [0,0,0,0,0,0|1,1,0]=2 147 B8R1.8 NCCc1ccno1 1P0286ZF [0,0,0,0,0,0|1,1,0]=2 148 B8R1.8 NCCc1ccon1 1P01A2VX [0,0,0,0,0,0|2,0,0]=2 149 B8R1.8 NCCc1cnn[nH]1 1P00J2Q2 [0,0,0,0,0,0|3,0,0]=3 150 B8R1.8 NCCc1cocc1 1P01ADC8 [0,0,0,0,0,0|2,0,0]=2 151 B8R1.8 NCCc1cocc1 1P01B713 [0,0,0,0,0,0|2,0,0]=2 152 B8R1.8 NCCc1conc1 1P00HF7E [0,0,0,0,0,0|3,0,0]=3 153 B8R1.8 NCCc1cscc1 1P0038IN [0,0,0,0,0,0|2,0,0]=2 154 B8R1.8 NCCc1cscc1 1P00EA5P [0,0,0,0,0,0|2,0,0]=2 155 B8R1.8 NCCc1cscn1 1P008NUY [0,0,0,0,0,0|2,0,0]=2 156 B8R1.8 NCCc1csnn1 1P028CXE [0,0,0,0,0,0|3,0,0]=3 157 B8R1.8 NCCc1nc[nH]c1 1P0035GO [0,0,0,0,0,0|2,0,0]=2 158 B8R1.8 NCCc1nc[nH]c1 1P003REF [0,0,0,0,0,0|2,0,0]=2 159 B8R1.8 NCCc1ncc[nH]1 1P00I025 [0,0,0,0,0,0|2,0,0]=2 160 B8R1.8 NCCc1ncco1 1P0284E7 [0,0,0,0,0,0|1,1,0]=2 161 B8R1.8 NCCc1nccs1 1P003AOM [0,0,0,0,0,0|1,0,0]=1 162 B8R1.8 NCCc1nccs1 1P0075VS [0,0,0,0,0,0|1,0,0]=1 163 B8R1.8 NCCc1ncn[nH]1 1P00ID9Y [0,0,0,0,0,0|3,0,0]=3 164 B8R1.8 NCCc1ncno1 1P00KCRN [0,0,0,0,0,0|2,1,0]=3 165 B8R1.8 NCCc1ncoc1 1P024XO7 [0,0,0,0,0,0|2,0,0]=2 166 B8R1.8 NCCc1ncoc1 1P028SJK [0,0,0,0,0,0|2,0,0]=2 167 B8R1.8 NCCc1ncsc1 1P00G8VN [0,0,0,0,0,0|2,0,0]=2 168 B8R1.8 NCCc1nn[nH]c1 1P01EIH9 [0,0,0,0,0,0|3,0,0]=3 169 B8R1.8 NCCc1nnc[nH]1 1P019SJM [0,0,0,0,0,0|3,0,0]=3 170 B8R1.8 NCCc1nnn[nH]1 1P003FEY [0,0,0,0,0,0|4,0,0]=4 171 B8R1.8 NCCc1nnn[nH]1 1P00J1YI [0,0,0,0,0,0|4,0,0]=4 172 B8R1.8 NCCc1nocn1 1P01AJQD [0,0,0,0,0,0|3,0,0]=3 173 B8R1.8 NCCc1ocnc1 1P028E9Y [0,0,0,0,0,0|1,1,0]=2 174 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,0,0,0,0,0|1,0,0]=1 175 B8R1.8 NCCc1scnn1 1P00HYGH [0,0,0,0,0,0|2,0,0]=2 176 B8R1.8 NCCn1cccc1 1P002ZMK [0,0,0,0,0,0|2,0,0]=2 177 B8R1.8 NCCn1cccn1 1P0004UZ [0,0,0,0,0,0|2,0,0]=2 178 B8R1.8 NCCn1cccn1 1P00J1AE [0,0,0,0,0,0|2,0,0]=2 179 B8R1.8 NCCn1ccnn1 1P00DBYL [0,0,0,0,0,0|3,0,0]=3 180 B8R1.8 NCCn1ccnn1 1P01B4FL [0,0,0,0,0,0|3,0,0]=3 181 B8R1.8 NCCn1cncc1 1P003F64 [0,0,0,0,0,0|3,0,0]=3 182 B8R1.8 NCCn1cncc1 1P00APN2 [0,0,0,0,0,0|3,0,0]=3 183 B8R1.8 NCCn1cncc1 1P00J9QA [0,0,0,0,0,0|3,0,0]=3 184 B8R1.8 NCCn1cncn1 1P006WD5 [0,0,0,0,0,0|3,0,0]=3 185 B8R1.8 NCCn1cncn1 1P00HAIF [0,0,0,0,0,0|3,0,0]=3 186 B8R1.8 NCCn1cnnc1 1P0003GV [0,0,0,0,0,0|4,0,0]=4 187 B8R1.8 NCCn1cnnc1 1P00J2WK [0,0,0,0,0,0|4,0,0]=4 188 B8R1.8 NCCn1cnnn1 1P00J35T [0,0,0,0,0,0|4,0,0]=4 189 B8R1.8 NCCn1nccn1 1P01ATBE [0,0,0,0,0,0|3,0,0]=3 190 B8R1.8 NCCn1ncnc1 1P00DK88 [0,0,0,0,0,0|3,0,0]=3 191 B8R1.8 NCCn1nncn1 1P00JPOI [0,0,0,0,0,0|4,0,0]=4 192 B8R1.8 NNCc1cccs1 1P00J317 [0,0,0,0,0,0|1,0,0]=1 193 B8R1.8 NNCc1cscc1 1P01BDCM [0,0,0,0,0,0|3,0,0]=3 194 B8R1.8 NNCc1cscc1 1P01BDDR [0,0,0,0,0,0|3,0,0]=3 195 B8R1.8 NOCc1cccs1 1P01P0SG [0,0,0,0,0,0|1,0,0]=1 196 B8R1.8 NOCc1n[nH]cn1 1P028E4J [0,0,0,0,0,0|4,0,0]=4 197 B8R1.8 NOCc1n[nH]cn1 1P028IJ8 [0,0,0,0,0,0|4,0,0]=4 198 B8R1.8 O=C=Nc1ccco1 1P005XGA [0,0,0,0,0,0|2,1,1]=4 199 B8R1.8 O=C=Nc1cccs1 1P002A6D [0,0,0,0,0,0|2,0,1]=3 200 B8R1.8 O=CCc1cccs1 1P00AD6S [0,0,0,0,0,0|1,0,1]=2 201 B8R1.8 O=CCc1cscc1 1P000FCN [0,0,0,0,0,0|3,0,1]=4 202 B8R1.8 OCCC1CCC=C1 1P005JRE [0,0,0,0,0,0|2,0,2]=4 203 B8R1.8 OCC[n+]1cscc1 1P007XL7 [0,0,0,0,0,0|4,0,0]=4 204 B8R1.8 OCCc1c[nH]nc1 1P002297 [0,0,0,0,0,0|4,0,0]=4 205 B8R1.8 OCCc1c[nH]nc1 1P019U5T [0,0,0,0,0,0|4,0,0]=4 206 B8R1.8 OCCc1c[nH]nn1 1P01AII7 [0,0,0,0,0,0|4,0,0]=4 207 B8R1.8 OCCc1c[nH]nn1 1P01EMU3 [0,0,0,0,0,0|4,0,0]=4 208 B8R1.8 OCCc1cc[nH]n1 1P00CLE0 [0,0,0,0,0,0|3,0,0]=3 209 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [0,0,0,0,0,0|2,0,0]=2 210 B8R1.8 OCCc1ccco1 1P00BZB3 [0,0,0,0,0,0|1,1,0]=2 211 B8R1.8 OCCc1cccs1 1P0033WO [0,0,0,0,0,0|1,0,0]=1 212 B8R1.8 OCCc1ccsn1 1P0290FH [0,0,0,0,0,0|3,0,0]=3 213 B8R1.8 OCCc1cnc[nH]1 1P0022DH [0,0,0,0,0,0|3,0,0]=3 214 B8R1.8 OCCc1cnc[nH]1 1P004IMT [0,0,0,0,0,0|3,0,0]=3 215 B8R1.8 OCCc1cnco1 1P028VU5 [0,0,0,0,0,0|2,1,0]=3 216 B8R1.8 OCCc1cncs1 1P01B9DR [0,0,0,0,0,0|2,0,0]=2 217 B8R1.8 OCCc1cocc1 1P0037R8 [0,0,0,0,0,0|3,0,0]=3 218 B8R1.8 OCCc1conc1 1P004J4U [0,0,0,0,0,0|4,0,0]=4 219 B8R1.8 OCCc1cscc1 1P0014C9 [0,0,0,0,0,0|3,0,0]=3 220 B8R1.8 OCCc1cscn1 1P028C5K [0,0,0,0,0,0|3,0,0]=3 221 B8R1.8 OCCc1csnc1 1P028W89 [0,0,0,0,0,0|4,0,0]=4 222 B8R1.8 OCCc1ncc[nH]1 1P003F8Q [0,0,0,0,0,0|3,0,0]=3 223 B8R1.8 OCCc1ncc[nH]1 1P0281JM [0,0,0,0,0,0|3,0,0]=3 224 B8R1.8 OCCc1ncco1 1P02817S [0,0,0,0,0,0|2,1,0]=3 225 B8R1.8 OCCc1nccs1 1P0040AO [0,0,0,0,0,0|2,0,0]=2 226 B8R1.8 OCCn1cccc1 1P003DBI [0,0,0,0,0,0|3,0,0]=3 227 B8R1.8 OCCn1cccn1 1P0033B0 [0,0,0,0,0,0|3,0,0]=3 228 B8R1.8 OCCn1ccnn1 1P008PPU [0,0,0,0,0,0|4,0,0]=4 229 B8R1.8 OCCn1cncc1 1P0038Q6 [0,0,0,0,0,0|4,0,0]=4 230 B8R1.8 OCCn1cncn1 1P0038JL [0,0,0,0,0,0|4,0,0]=4 231 B8R1.8 OCCn1nccn1 1P00AQIJ [0,0,0,0,0,0|4,0,0]=4 232 B8R1.8 ON=Cc1cccs1 1P002ZKS [0,0,0,0,0,0|2,0,1]=3 233 B8R1.8 O\N=C\c1ccc[nH]1 1P003UJT [0,0,0,0,0,0|3,0,1]=4 234 B8R1.8 SCCc1ccco1 1P01HNHQ [0,0,0,0,0,0|1,1,0]=2 235 B8R1.8 SCCc1cccs1 1P01HCS8 [0,0,0,0,0,0|1,0,0]=1 236 B8R1.8 SCCc1conc1 1P0292JM [0,0,0,0,0,0|4,0,0]=4 237 B8R1.8 SCCc1cscc1 1P028DTF [0,0,0,0,0,0|3,0,0]=3 238 B8R1.8 SCCn1cccn1 1P019UID [0,0,0,0,0,0|3,0,0]=3 239 B8R1.8 SCCn1cncc1 1P02921I [0,0,0,0,0,0|4,0,0]=4 240 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [0,0,0,0,0,0|2,0,0]=2 241 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [1,0,0,0,0,0|3,0,0]=4 242 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [1,0,0,0,0,0|3,0,0]=4 243 B7R1.1 BrCc1cccs1 1P003A54 [1,0,0,0,0,0|1,0,0]=2 244 B7R1.1 BrCc1ccno1 1P005IU1 [1,0,0,0,0,0|2,1,0]=4 245 B7R1.1 BrCc1ccns1 1P00BNV7 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.1 BrCc1ccon1 1P005JQO [1,0,0,0,0,0|3,0,0]=4 247 B7R1.1 BrCc1cnco1 1P000X8S [1,0,0,0,0,0|2,1,0]=4 248 B7R1.1 BrCc1cncs1 1P00IJOS [1,0,0,0,0,0|2,0,0]=3 249 B7R1.1 BrCc1cnns1 1P01BBDX [1,0,0,0,0,0|3,0,0]=4 250 B7R1.1 BrCc1cocc1 1P00ED8I [1,0,0,0,0,0|3,0,0]=4 251 B7R1.1 BrCc1cocn1 1P008U5Y [1,0,0,0,0,0|3,0,0]=4 252 B7R1.1 BrCc1cscn1 1P0036OC [1,0,0,0,0,0|3,0,0]=4 253 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [1,0,0,0,0,0|3,0,0]=4 254 B7R1.1 BrCc1ncco1 1P01XD2T [1,0,0,0,0,0|2,1,0]=4 255 B7R1.1 BrCc1nccs1 1P000T52 [1,0,0,0,0,0|2,0,0]=3 256 B7R1.1 BrCn1cccn1 1P01B9DJ [1,0,0,0,0,0|3,0,0]=4 257 B7R1.1 C#Cc1cccs1 1P0038AO [1,0,0,0,0,0|0,0,2]=3 258 B7R1.1 C#Cc1ccns1 1P01C36A [1,0,0,0,0,0|1,0,2]=4 259 B7R1.1 C#Cc1cncs1 1P004NIS [1,0,0,0,0,0|1,0,2]=4 260 B7R1.1 C#Cc1nccs1 1P0082O0 [1,0,0,0,0,0|1,0,2]=4 261 B7R1.1 C=Cc1ccco1 1P001LLL [1,0,0,0,0,0|0,1,2]=4 262 B7R1.1 C=Cc1cccs1 1P002FXU [1,0,0,0,0,0|0,0,2]=3 263 B7R1.1 C=Cc1cncs1 1P01BRJP [1,0,0,0,0,0|1,0,2]=4 264 B7R1.1 C=Cc1nccs1 1P00HVP0 [1,0,0,0,0,0|1,0,2]=4 265 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,0,0,0|1,0,2]=4 266 B7R1.1 CCC1NCC=C1 1P008W14 [1,0,0,0,0,0|1,0,2]=4 267 B7R1.1 CCC1NCC=C1 1P00J2F3 [1,0,0,0,0,0|1,0,2]=4 268 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [1,0,0,0,0,0|1,0,1]=3 269 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [1,0,0,0,0,0|1,0,1]=3 270 B7R1.1 CCc1c[nH]cc1 1P00APDI [1,0,0,0,0,0|2,0,0]=3 271 B7R1.1 CCc1c[nH]nc1 1P00B6AX [1,0,0,0,0,0|3,0,0]=4 272 B7R1.1 CCc1cc[nH]n1 1P0018FG [1,0,0,0,0,0|2,0,0]=3 273 B7R1.1 CCc1ccc[nH]1 1P0033RK [1,0,0,0,0,0|1,0,0]=2 274 B7R1.1 CCc1ccco1 1P003HOB [1,0,0,0,0,0|0,1,0]=2 275 B7R1.1 CCc1cccs1 1P003HOV [1,0,0,0,0,0|0,0,0]=1 276 B7R1.1 CCc1ccon1 1P028EIU [1,0,0,0,0,0|2,0,0]=3 277 B7R1.1 CCc1cn[nH]n1 1P024SQ7 [1,0,0,0,0,0|3,0,0]=4 278 B7R1.1 CCc1cnc[nH]1 1P001J1R [1,0,0,0,0,0|2,0,0]=3 279 B7R1.1 CCc1cnco1 1P007IH6 [1,0,0,0,0,0|1,1,0]=3 280 B7R1.1 CCc1cocn1 1P01B79E [1,0,0,0,0,0|2,0,0]=3 281 B7R1.1 CCc1cscc1 1P0027I2 [1,0,0,0,0,0|2,0,0]=3 282 B7R1.1 CCc1cscn1 1P00250B [1,0,0,0,0,0|2,0,0]=3 283 B7R1.1 CCc1csnc1 1P01BYG2 [1,0,0,0,0,0|3,0,0]=4 284 B7R1.1 CCc1n[nH]cn1 1P0039JI [1,0,0,0,0,0|3,0,0]=4 285 B7R1.1 CCc1ncc[nH]1 1P003BOK [1,0,0,0,0,0|2,0,0]=3 286 B7R1.1 CCc1nccs1 1P001PGS [1,0,0,0,0,0|1,0,0]=2 287 B7R1.1 CCc1nnco1 1P000WQS [1,0,0,0,0,0|2,1,0]=4 288 B7R1.1 CCn1cccc1 1P00EBJW [1,0,0,0,0,0|2,0,0]=3 289 B7R1.1 CCn1cccn1 1P003ES5 [1,0,0,0,0,0|2,0,0]=3 290 B7R1.1 CCn1ccnn1 1P00K7KQ [1,0,0,0,0,0|3,0,0]=4 291 B7R1.1 CCn1ccnn1 1P028VSK [1,0,0,0,0,0|3,0,0]=4 292 B7R1.1 CCn1cncc1 1P003ES2 [1,0,0,0,0,0|3,0,0]=4 293 B7R1.1 CCn1cncn1 1P001Y2E [1,0,0,0,0,0|3,0,0]=4 294 B7R1.1 CNc1cc[nH]n1 1P00E6KF [1,0,0,0,0,0|3,0,0]=4 295 B7R1.1 CNc1ccon1 1P00HS5D [1,0,0,0,0,0|3,0,0]=4 296 B7R1.1 CNc1ccon1 1P00IAF9 [1,0,0,0,0,0|3,0,0]=4 297 B7R1.1 CNc1ccsn1 1P028UZC [1,0,0,0,0,0|3,0,0]=4 298 B7R1.1 CNc1cscc1 1P01B2HP [1,0,0,0,0,0|3,0,0]=4 299 B7R1.1 CNc1ncc[nH]1 1P01BE1C [1,0,0,0,0,0|3,0,0]=4 300 B7R1.1 CNc1ncco1 1P0039ZY [1,0,0,0,0,0|2,1,0]=4 301 B7R1.1 CNc1nccs1 1P00EGBN [1,0,0,0,0,0|2,0,0]=3 302 B7R1.1 CNc1nncs1 1P00I84C [1,0,0,0,0,0|3,0,0]=4 303 B7R1.1 CNn1cccc1 1P02902L [1,0,0,0,0,0|3,0,0]=4 304 B7R1.1 COc1c[nH]cn1 1P0048ET [1,0,0,0,0,0|3,0,0]=4 305 B7R1.1 COc1cc[nH]n1 1P00I4N8 [1,0,0,0,0,0|3,0,0]=4 306 B7R1.1 COc1cccs1 1P001YI0 [1,0,0,0,0,0|1,0,0]=2 307 B7R1.1 COc1ccsn1 1P01BDQO [1,0,0,0,0,0|3,0,0]=4 308 B7R1.1 COc1cscc1 1P0021M3 [1,0,0,0,0,0|3,0,0]=4 309 B7R1.1 COc1nccs1 1P001DHP [1,0,0,0,0,0|2,0,0]=3 310 B7R1.1 COc1nncs1 1P004Y6Z [1,0,0,0,0,0|3,0,0]=4 311 B7R1.1 CSc1c[nH]cn1 1P0036YT [1,0,0,0,0,0|3,0,0]=4 312 B7R1.1 CSc1cc[nH]n1 1P0283LV [1,0,0,0,0,0|3,0,0]=4 313 B7R1.1 CSc1ccc[nH]1 1P01ID3L [1,0,0,0,0,0|2,0,0]=3 314 B7R1.1 CSc1ccco1 1P000WBV [1,0,0,0,0,0|1,1,0]=3 315 B7R1.1 CSc1cccs1 1P0033CD [1,0,0,0,0,0|1,0,0]=2 316 B7R1.1 CSc1cncs1 1P01BU59 [1,0,0,0,0,0|2,0,0]=3 317 B7R1.1 CSc1cscc1 1P002JFX [1,0,0,0,0,0|3,0,0]=4 318 B7R1.1 CSc1ncc[nH]1 1P003FKB [1,0,0,0,0,0|3,0,0]=4 319 B7R1.1 CSc1ncco1 1P002DMB [1,0,0,0,0,0|2,1,0]=4 320 B7R1.1 CSc1nccs1 1P003BJA [1,0,0,0,0,0|2,0,0]=3 321 B7R1.1 CSc1nncs1 1P028THD [1,0,0,0,0,0|3,0,0]=4 322 B7R1.1 ClCc1c[nH]cn1 1P00I84M [1,0,0,0,0,0|3,0,0]=4 323 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [1,0,0,0,0,0|3,0,0]=4 324 B7R1.1 ClCc1cccs1 1P005XFR [1,0,0,0,0,0|1,0,0]=2 325 B7R1.1 ClCc1ccno1 1P00ECFK [1,0,0,0,0,0|2,1,0]=4 326 B7R1.1 ClCc1ccns1 1P0078AS [1,0,0,0,0,0|2,0,0]=3 327 B7R1.1 ClCc1ccon1 1P00IAQH [1,0,0,0,0,0|3,0,0]=4 328 B7R1.1 ClCc1ccsn1 1P020M65 [1,0,0,0,0,0|3,0,0]=4 329 B7R1.1 ClCc1cnco1 1P007W6B [1,0,0,0,0,0|2,1,0]=4 330 B7R1.1 ClCc1cncs1 1P009I1Z [1,0,0,0,0,0|2,0,0]=3 331 B7R1.1 ClCc1cncs1 1P00DCWM [1,0,0,0,0,0|2,0,0]=3 332 B7R1.1 ClCc1cocn1 1P005ISW [1,0,0,0,0,0|3,0,0]=4 333 B7R1.1 ClCc1cocn1 1P00FH8Z [1,0,0,0,0,0|3,0,0]=4 334 B7R1.1 ClCc1cscc1 1P00C23C [1,0,0,0,0,0|3,0,0]=4 335 B7R1.1 ClCc1cscn1 1P003KNK [1,0,0,0,0,0|3,0,0]=4 336 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [1,0,0,0,0,0|3,0,0]=4 337 B7R1.1 ClCc1ncco1 1P0038DX [1,0,0,0,0,0|2,1,0]=4 338 B7R1.1 ClCc1ncco1 1P028B1R [1,0,0,0,0,0|2,1,0]=4 339 B7R1.1 ClCc1nccs1 1P00FM3G [1,0,0,0,0,0|2,0,0]=3 340 B7R1.1 ClCc1nccs1 1P00I738 [1,0,0,0,0,0|2,0,0]=3 341 B7R1.1 ClCc1nncs1 1P019ZE1 [1,0,0,0,0,0|3,0,0]=4 342 B7R1.1 ClCn1cccn1 1P00FET4 [1,0,0,0,0,0|3,0,0]=4 343 B7R1.1 N#Cc1ccco1 1P003BOZ [1,0,0,0,0,0|0,1,2]=4 344 B7R1.1 N#Cc1cccs1 1P0001Y6 [1,0,0,0,0,0|0,0,2]=3 345 B7R1.1 N#Cc1nccs1 1P0033WM [1,0,0,0,0,0|1,0,2]=4 346 B7R1.1 NCC1=CCCC1 1P01ACZ1 [1,0,0,0,0,0|1,0,2]=4 347 B7R1.1 NCC1CC=CC1 1P00DKNG [1,0,0,0,0,0|1,0,2]=4 348 B7R1.1 NCC1CC=CC1 1P028AUO [1,0,0,0,0,0|1,0,2]=4 349 B7R1.1 NCc1c[nH]cc1 1P008B5V [1,0,0,0,0,0|2,0,0]=3 350 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [1,0,0,0,0,0|2,0,0]=3 351 B7R1.1 NCc1c[nH]nc1 1P000EI2 [1,0,0,0,0,0|3,0,0]=4 352 B7R1.1 NCc1cc[nH]n1 1P00398P [1,0,0,0,0,0|2,0,0]=3 353 B7R1.1 NCc1ccc[nH]1 1P0033BP [1,0,0,0,0,0|1,0,0]=2 354 B7R1.1 NCc1ccc[nH]1 1P006SOC [1,0,0,0,0,0|1,0,0]=2 355 B7R1.1 NCc1ccco1 1P00IBDE [1,0,0,0,0,0|0,1,0]=2 356 B7R1.1 NCc1cccs1 1P002V4I [1,0,0,0,0,0|0,0,0]=1 357 B7R1.1 NCc1ccn[nH]1 1P008UV1 [1,0,0,0,0,0|2,0,0]=3 358 B7R1.1 NCc1ccno1 1P0037YF [1,0,0,0,0,0|1,1,0]=3 359 B7R1.1 NCc1ccno1 1P007323 [1,0,0,0,0,0|1,1,0]=3 360 B7R1.1 NCc1ccns1 1P01B6TZ [1,0,0,0,0,0|1,0,0]=2 361 B7R1.1 NCc1ccns1 1P01B6V6 [1,0,0,0,0,0|1,0,0]=2 362 B7R1.1 NCc1ccon1 1P00811U [1,0,0,0,0,0|2,0,0]=3 363 B7R1.1 NCc1ccon1 1P009337 [1,0,0,0,0,0|2,0,0]=3 364 B7R1.1 NCc1ccsn1 1P0076B9 [1,0,0,0,0,0|2,0,0]=3 365 B7R1.1 NCc1cnco1 1P000PTG [1,0,0,0,0,0|1,1,0]=3 366 B7R1.1 NCc1cncs1 1P001WDD [1,0,0,0,0,0|1,0,0]=2 367 B7R1.1 NCc1cncs1 1P00811W [1,0,0,0,0,0|1,0,0]=2 368 B7R1.1 NCc1cnn[nH]1 1P0003MG [1,0,0,0,0,0|3,0,0]=4 369 B7R1.1 NCc1cnn[nH]1 1P007Q84 [1,0,0,0,0,0|3,0,0]=4 370 B7R1.1 NCc1cnns1 1P028N1M [1,0,0,0,0,0|2,0,0]=3 371 B7R1.1 NCc1cnns1 1P028QZG [1,0,0,0,0,0|2,0,0]=3 372 B7R1.1 NCc1cnon1 1P01EIHR [1,0,0,0,0,0|3,0,0]=4 373 B7R1.1 NCc1cnsn1 1P01BB8F [1,0,0,0,0,0|3,0,0]=4 374 B7R1.1 NCc1cocc1 1P0038AA [1,0,0,0,0,0|2,0,0]=3 375 B7R1.1 NCc1cocc1 1P009BQA [1,0,0,0,0,0|2,0,0]=3 376 B7R1.1 NCc1cocn1 1P0039FL [1,0,0,0,0,0|2,0,0]=3 377 B7R1.1 NCc1cocn1 1P00DG0B [1,0,0,0,0,0|2,0,0]=3 378 B7R1.1 NCc1conc1 1P001ZPV [1,0,0,0,0,0|3,0,0]=4 379 B7R1.1 NCc1cscc1 1P000GRT [1,0,0,0,0,0|2,0,0]=3 380 B7R1.1 NCc1cscc1 1P002V4H [1,0,0,0,0,0|2,0,0]=3 381 B7R1.1 NCc1cscn1 1P000E2I [1,0,0,0,0,0|2,0,0]=3 382 B7R1.1 NCc1cscn1 1P001WF7 [1,0,0,0,0,0|2,0,0]=3 383 B7R1.1 NCc1csnc1 1P01FJYB [1,0,0,0,0,0|3,0,0]=4 384 B7R1.1 NCc1csnc1 1P01FJYC [1,0,0,0,0,0|3,0,0]=4 385 B7R1.1 NCc1csnn1 1P00VVY0 [1,0,0,0,0,0|3,0,0]=4 386 B7R1.1 NCc1nc[nH]c1 1P0038XO [1,0,0,0,0,0|2,0,0]=3 387 B7R1.1 NCc1ncc[nH]1 1P001A1F [1,0,0,0,0,0|2,0,0]=3 388 B7R1.1 NCc1ncc[nH]1 1P003A7Q [1,0,0,0,0,0|2,0,0]=3 389 B7R1.1 NCc1ncco1 1P0038HB [1,0,0,0,0,0|1,1,0]=3 390 B7R1.1 NCc1ncco1 1P028B4B [1,0,0,0,0,0|1,1,0]=3 391 B7R1.1 NCc1nccs1 1P0033BR [1,0,0,0,0,0|1,0,0]=2 392 B7R1.1 NCc1nccs1 1P0037J6 [1,0,0,0,0,0|1,0,0]=2 393 B7R1.1 NCc1nccs1 1P00G4H4 [1,0,0,0,0,0|1,0,0]=2 394 B7R1.1 NCc1ncn[nH]1 1P000PYO [1,0,0,0,0,0|3,0,0]=4 395 B7R1.1 NCc1ncn[nH]1 1P00EAG9 [1,0,0,0,0,0|3,0,0]=4 396 B7R1.1 NCc1ncn[nH]1 1P00H3I1 [1,0,0,0,0,0|3,0,0]=4 397 B7R1.1 NCc1ncno1 1P01FJYD [1,0,0,0,0,0|2,1,0]=4 398 B7R1.1 NCc1ncsc1 1P00J1AF [1,0,0,0,0,0|2,0,0]=3 399 B7R1.1 NCc1nn[nH]c1 1P027PDD [1,0,0,0,0,0|3,0,0]=4 400 B7R1.1 NCc1nnco1 1P001950 [1,0,0,0,0,0|2,1,0]=4 401 B7R1.1 NCc1nocn1 1P00CJHT [1,0,0,0,0,0|3,0,0]=4 402 B7R1.1 NCc1nscn1 1P028A0H [1,0,0,0,0,0|3,0,0]=4 403 B7R1.1 NCc1ocnc1 1P009I2F [1,0,0,0,0,0|1,1,0]=3 404 B7R1.1 NCc1scnc1 1P0015PG [1,0,0,0,0,0|1,0,0]=2 405 B7R1.1 NCc1scnn1 1P01BSDS [1,0,0,0,0,0|2,0,0]=3 406 B7R1.1 NNc1nccs1 1P007JQK [1,0,0,0,0,0|2,0,0]=3 407 B7R1.1 NNc1ncns1 1P0287PI [1,0,0,0,0,0|3,0,0]=4 408 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [1,0,0,0,0,0|2,0,1]=4 409 B7R1.1 O=Cc1ccc[se]1 1P002QYK [1,0,0,0,0,0|1,1,1]=4 410 B7R1.1 O=Cc1ccco1 1P0033SN [1,0,0,0,0,0|1,1,1]=4 411 B7R1.1 O=Cc1cccs1 1P0039RD [1,0,0,0,0,0|1,0,1]=3 412 B7R1.1 O=Cc1ccns1 1P00395A [1,0,0,0,0,0|2,0,1]=4 413 B7R1.1 O=Cc1cncs1 1P0001Y5 [1,0,0,0,0,0|2,0,1]=4 414 B7R1.1 O=Cc1nccs1 1P0006QL [1,0,0,0,0,0|2,0,1]=4 415 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [1,0,0,0,0,0|2,0,1]=4 416 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [1,0,0,0,0,0|2,0,1]=4 417 B7R1.1 OCc1c[nH]cc1 1P00FVQG [1,0,0,0,0,0|3,0,0]=4 418 B7R1.1 OCc1c[nH]cn1 1P0038JP [1,0,0,0,0,0|3,0,0]=4 419 B7R1.1 OCc1c[nH]cn1 1P0056GC [1,0,0,0,0,0|3,0,0]=4 420 B7R1.1 OCc1cc[nH]n1 1P002O87 [1,0,0,0,0,0|3,0,0]=4 421 B7R1.1 OCc1ccco1 1P003R60 [1,0,0,0,0,0|1,1,0]=3 422 B7R1.1 OCc1cccs1 1P003BQJ [1,0,0,0,0,0|1,0,0]=2 423 B7R1.1 OCc1ccno1 1P006AUF [1,0,0,0,0,0|2,1,0]=4 424 B7R1.1 OCc1ccns1 1P00ACUC [1,0,0,0,0,0|2,0,0]=3 425 B7R1.1 OCc1ccon1 1P0036QI [1,0,0,0,0,0|3,0,0]=4 426 B7R1.1 OCc1ccsn1 1P01V5TO [1,0,0,0,0,0|3,0,0]=4 427 B7R1.1 OCc1cnco1 1P000X8T [1,0,0,0,0,0|2,1,0]=4 428 B7R1.1 OCc1cncs1 1P0034R1 [1,0,0,0,0,0|2,0,0]=3 429 B7R1.1 OCc1cnns1 1P008RO7 [1,0,0,0,0,0|3,0,0]=4 430 B7R1.1 OCc1cocc1 1P0072QO [1,0,0,0,0,0|3,0,0]=4 431 B7R1.1 OCc1cocn1 1P001ON1 [1,0,0,0,0,0|3,0,0]=4 432 B7R1.1 OCc1cscc1 1P003KDJ [1,0,0,0,0,0|3,0,0]=4 433 B7R1.1 OCc1cscn1 1P003AEU [1,0,0,0,0,0|3,0,0]=4 434 B7R1.1 OCc1ncc[nH]1 1P000CAH [1,0,0,0,0,0|3,0,0]=4 435 B7R1.1 OCc1ncc[nH]1 1P00BYAS [1,0,0,0,0,0|3,0,0]=4 436 B7R1.1 OCc1ncco1 1P000V32 [1,0,0,0,0,0|2,1,0]=4 437 B7R1.1 OCc1nccs1 1P001DHQ [1,0,0,0,0,0|2,0,0]=3 438 B7R1.1 OCc1nncs1 1P00E8XG [1,0,0,0,0,0|3,0,0]=4 439 B7R1.1 OCn1cccn1 1P007CY4 [1,0,0,0,0,0|3,0,0]=4 440 B7R1.1 SCc1ccc[nH]1 1P01DX9D [1,0,0,0,0,0|2,0,0]=3 441 B7R1.1 SCc1ccco1 1P003R61 [1,0,0,0,0,0|1,1,0]=3 442 B7R1.1 SCc1cccs1 1P003IEO [1,0,0,0,0,0|1,0,0]=2 443 B7R1.1 SCc1ccno1 1P020M66 [1,0,0,0,0,0|2,1,0]=4 444 B7R1.1 SCc1ccon1 1P020M64 [1,0,0,0,0,0|3,0,0]=4 445 B7R1.1 SCc1cncs1 1P028027 [1,0,0,0,0,0|2,0,0]=3 446 B7R1.1 SCc1cocc1 1P01Q6AT [1,0,0,0,0,0|3,0,0]=4 447 B7R1.1 SCc1cocn1 1P028V8N [1,0,0,0,0,0|3,0,0]=4 448 B7R1.1 SCc1cscc1 1P001V2D [1,0,0,0,0,0|3,0,0]=4 449 B7R1.1 SCc1cscn1 1P007YQ1 [1,0,0,0,0,0|3,0,0]=4 450 B7R1.1 SCc1nccs1 1P020M67 [1,0,0,0,0,0|2,0,0]=3 451 B7R1.1 c1ncsc1C#N 1P007MOG [1,0,0,0,0,0|1,0,2]=4 452 B9R1.7 BrCCc1csc(c1)C 1P027WGA [0,1,0,0,0,0|3,0,0]=4 453 B9R1.7 BrCCn1ncc(c1)Br 1P01SEID [0,1,0,0,0,0|3,0,0]=4 454 B9R1.7 Brc1cc([nH]c1)CC#N 1P01IORH [0,1,0,0,0,0|1,0,2]=4 455 B9R1.7 Brc1cc(sc1)CC#N 1P001S2E [0,1,0,0,0,0|0,0,2]=3 456 B9R1.7 Brc1cc(sc1)N=C=O 1P0283Y0 [0,1,0,0,0,0|2,0,1]=4 457 B9R1.7 Brc1ccc(s1)CC#N 1P005GPO [0,1,0,0,0,0|0,0,2]=3 458 B9R1.7 Brc1ccc(s1)N=C=O 1P019VIV [0,1,0,0,0,0|2,0,1]=4 459 B9R1.7 Brc1csc(n1)CC#N 1P024VIP [0,1,0,0,0,0|1,0,2]=4 460 B9R1.7 C(CC)C1=CC(OC1)=O 1P01JJQ8 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.7 CCCc1c[nH]c(=N)s1 1P0076N1 [0,1,0,0,0,0|2,0,0]=3 462 B9R1.7 CCCc1c[nH]c(=O)[nH]1 1P0003D4 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.7 CCCc1cc(n[nH]1)N 1P000TN0 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.7 CCCc1cc(n[nH]1)N 1P01AHJ9 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.7 CCCc1cc(no1)N 1P00IAF8 [0,1,0,0,0,0|2,1,0]=4 466 B9R1.7 CCCc1cc(on1)N 1P00FEB9 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.7 CCCc1ccc(s1)Br 1P007DLW [0,1,0,0,0,0|1,0,0]=2 468 B9R1.7 CCCc1coc(n1)Br 1P01BAUE [0,1,0,0,0,0|3,0,0]=4 469 B9R1.7 CCCc1csc(n1)C 1P00D7JO [0,1,0,0,0,0|3,0,0]=4 470 B9R1.7 CCCc1csc(n1)N 1P00EGKN [0,1,0,0,0,0|3,0,0]=4 471 B9R1.7 CCCc1csc(n1)N 1P01A4B0 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.7 CCCc1nc(c[nH]1)Br 1P00J2YS [0,1,0,0,0,0|3,0,0]=4 473 B9R1.7 CCCc1nc(c[nH]1)I 1P01DHCF [0,1,0,0,0,0|3,0,0]=4 474 B9R1.7 CCCc1nc(cs1)N 1P01DVH7 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.7 CCCc1ncc(s1)N 1P01FJWT [0,1,0,0,0,0|2,0,0]=3 476 B9R1.7 CCCc1nnc(s1)Br 1P00HTQX [0,1,0,0,0,0|3,0,0]=4 477 B9R1.7 CCCc1nnc(s1)Cl 1P00HE53 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.7 CCCc1nnc(s1)N 1P00BZ38 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.7 CCCn1cc(cn1)Br 1P009I33 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.7 CCCn1cc(cn1)Cl 1P00HFYD [0,1,0,0,0,0|3,0,0]=4 481 B9R1.7 CCCn1cc(cn1)N 1P009AM2 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.7 CCCn1cc(cn1)N 1P009X7M [0,1,0,0,0,0|3,0,0]=4 483 B9R1.7 CCCn1ccc(n1)Br 1P01DZ5E [0,1,0,0,0,0|3,0,0]=4 484 B9R1.7 CCCn1ccc(n1)I 1P00733M [0,1,0,0,0,0|3,0,0]=4 485 B9R1.7 CCCn1ccc(n1)N 1P00JCPI [0,1,0,0,0,0|3,0,0]=4 486 B9R1.7 CCNc1nc(cs1)Cl 1P028TNX [0,1,0,0,0,0|3,0,0]=4 487 B9R1.7 CCNc1ncc(s1)Cl 1P028YVE [0,1,0,0,0,0|3,0,0]=4 488 B9R1.7 CCNc1scc(n1)C 1P01AKMO [0,1,0,0,0,0|3,0,0]=4 489 B9R1.7 CCOc1nc(cs1)Br 1P00BGP8 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.7 CCOc1nc(cs1)Cl 1P01C3E2 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.7 CNCc1cc(c[nH]1)I 1P027TY7 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.7 CNCc1cc(co1)Br 1P027UY5 [0,1,0,0,0,0|2,1,0]=4 493 B9R1.7 CNCc1cc(cs1)Br 1P00G3BA [0,1,0,0,0,0|2,0,0]=3 494 B9R1.7 CNCc1cc(cs1)Cl 1P027V3U [0,1,0,0,0,0|2,0,0]=3 495 B9R1.7 CNCc1ccc([nH]1)C 1P027TXD [0,1,0,0,0,0|3,0,0]=4 496 B9R1.7 CNCc1ccc(o1)Br 1P019NFF [0,1,0,0,0,0|2,1,0]=4 497 B9R1.7 CNCc1ccc(o1)C 1P001EP7 [0,1,0,0,0,0|2,1,0]=4 498 B9R1.7 CNCc1ccc(o1)Cl 1P027VBZ [0,1,0,0,0,0|2,1,0]=4 499 B9R1.7 CNCc1ccc(s1)Br 1P006D50 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.7 CNCc1ccc(s1)C 1P00GW4I [0,1,0,0,0,0|2,0,0]=3 501 B9R1.7 CNCc1ccc(s1)Cl 1P005T96 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.7 CNCc1cnc(s1)C 1P00F69E [0,1,0,0,0,0|3,0,0]=4 503 B9R1.7 CNCc1nc(cs1)Br 1P027W22 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.7 CNCc1ncc(s1)Br 1P028RIQ [0,1,0,0,0,0|3,0,0]=4 505 B9R1.7 CNCc1scc(c1)C 1P008A2T [0,1,0,0,0,0|2,0,0]=3 506 B9R1.7 CNCc1scc(n1)C 1P00EM18 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.7 CNCc1scc(n1)C 1P00J3SN [0,1,0,0,0,0|3,0,0]=4 508 B9R1.7 COCc1cc(cs1)Br 1P00HWPE [0,1,0,0,0,0|2,0,0]=3 509 B9R1.7 COCc1cnc(s1)N 1P01B9U9 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.7 Cc1cc(no1)CCBr 1P028O2Q [0,1,0,0,0,0|3,0,0]=4 511 B9R1.7 Cc1cc(no1)CCCl 1P01FM8J [0,1,0,0,0,0|3,0,0]=4 512 B9R1.7 Cc1cc(no1)CCN 1P01DXNK [0,1,0,0,0,0|2,0,0]=3 513 B9R1.7 Cc1cc(no1)CCN 1P01EIG0 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.7 Cc1cc(no1)CCO 1P02908I [0,1,0,0,0,0|3,0,0]=4 515 B9R1.7 Cc1cc(on1)CCBr 1P028TDA [0,1,0,0,0,0|2,1,0]=4 516 B9R1.7 Cc1cc(on1)CCCl 1P018SCV [0,1,0,0,0,0|2,1,0]=4 517 B9R1.7 Cc1cc(on1)CCN 1P01BBDJ [0,1,0,0,0,0|1,1,0]=3 518 B9R1.7 Cc1cc(sc1)CCN 1P028915 [0,1,0,0,0,0|0,0,0]=1 519 B9R1.7 Cc1cc(sc1)N=C=O 1P004QBP [0,1,0,0,0,0|2,0,1]=4 520 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,1,0,0,0,0|0,1,0]=2 521 B9R1.7 Cc1ccc(o1)CCO 1P00CNQA [0,1,0,0,0,0|1,1,0]=3 522 B9R1.7 Cc1ccc(s1)CC#N 1P01BC2Y [0,1,0,0,0,0|0,0,2]=3 523 B9R1.7 Cc1ccc(s1)CC=O 1P01DVRI [0,1,0,0,0,0|1,0,1]=3 524 B9R1.7 Cc1ccc(s1)CCBr 1P028V6A [0,1,0,0,0,0|1,0,0]=2 525 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,1,0,0,0,0|0,0,0]=1 526 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,1,0,0,0,0|0,0,0]=1 527 B9R1.7 Cc1ccc(s1)CCO 1P01BBAZ [0,1,0,0,0,0|1,0,0]=2 528 B9R1.7 Cc1ccc(s1)N=C=O 1P005KY0 [0,1,0,0,0,0|2,0,1]=4 529 B9R1.7 Cc1ccn(n1)CCBr 1P0066AA [0,1,0,0,0,0|3,0,0]=4 530 B9R1.7 Cc1ccn(n1)CCCl 1P006R85 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.7 Cc1ccn(n1)CCN 1P00EBCC [0,1,0,0,0,0|2,0,0]=3 532 B9R1.7 Cc1ccn(n1)CCO 1P00BZKP [0,1,0,0,0,0|3,0,0]=4 533 B9R1.7 Cc1ccn(n1)CCO 1P01FIC5 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.7 Cc1cn(nc1)CCBr 1P01BA84 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.7 Cc1cn(nc1)CCN 1P008VNH [0,1,0,0,0,0|2,0,0]=3 536 B9R1.7 Cc1cn(nc1)CCO 1P00030E [0,1,0,0,0,0|3,0,0]=4 537 B9R1.7 Cc1cn(nc1)CCO 1P00J29Q [0,1,0,0,0,0|3,0,0]=4 538 B9R1.7 Cc1cn(nc1)CCS 1P02906Q [0,1,0,0,0,0|3,0,0]=4 539 B9R1.7 Cc1cn(nn1)CCN 1P008VSA [0,1,0,0,0,0|3,0,0]=4 540 B9R1.7 Cc1cnc(s1)CCN 1P00JDK5 [0,1,0,0,0,0|1,0,0]=2 541 B9R1.7 Cc1csc(n1)CC#N 1P002BKZ [0,1,0,0,0,0|1,0,2]=4 542 B9R1.7 Cc1csc(n1)CCN 1P00EERS [0,1,0,0,0,0|1,0,0]=2 543 B9R1.7 Cc1nc(c[nH]1)CCO 1P0282J5 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.7 Cc1nc(co1)CCN 1P028JV2 [0,1,0,0,0,0|2,0,0]=3 545 B9R1.7 Cc1nc(cs1)CCCl 1P008VZ8 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.7 Cc1nc(cs1)CCCl 1P00J2C8 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.7 Cc1nc(cs1)CCO 1P007QY7 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.7 Cc1nc(on1)CCN 1P00938R [0,1,0,0,0,0|2,1,0]=4 549 B9R1.7 Cc1ncc(s1)CC#N 1P01AIBF [0,1,0,0,0,0|1,0,2]=4 550 B9R1.7 Cc1ncc(s1)CCN 1P01A1Y4 [0,1,0,0,0,0|1,0,0]=2 551 B9R1.7 Cc1ncc(s1)CCO 1P018KUW [0,1,0,0,0,0|2,0,0]=3 552 B9R1.7 Cc1nnc(o1)CCN 1P00EAFW [0,1,0,0,0,0|2,1,0]=4 553 B9R1.7 Cc1nnc(s1)CCN 1P00G51B [0,1,0,0,0,0|2,0,0]=3 554 B9R1.7 Cc1nnc(s1)CCO 1P00GMBV [0,1,0,0,0,0|3,0,0]=4 555 B9R1.7 ClCCn1cc(cn1)Br 1P00FE0R [0,1,0,0,0,0|3,0,0]=4 556 B9R1.7 Clc1cc(sc1)CC#N 1P028CYG [0,1,0,0,0,0|0,0,2]=3 557 B9R1.7 Clc1ccc(s1)CC#N 1P01AAXT [0,1,0,0,0,0|0,0,2]=3 558 B9R1.7 Clc1ccc(s1)N=C=O 1P00G5NR [0,1,0,0,0,0|2,0,1]=4 559 B9R1.7 Clc1cn(nc1)CCBr 1P0004CO [0,1,0,0,0,0|3,0,0]=4 560 B9R1.7 Clc1ncc(s1)CC#N 1P00H1TY [0,1,0,0,0,0|1,0,2]=4 561 B9R1.7 Cn1cc(nc1)CCO 1P01DWZ2 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.7 Cn1cc(nn1)CCN 1P01C4YP [0,1,0,0,0,0|3,0,0]=4 563 B9R1.7 Cn1ccc(n1)CCN 1P00JGNI [0,1,0,0,0,0|2,0,0]=3 564 B9R1.7 Cn1ccc(n1)CCO 1P01B5GX [0,1,0,0,0,0|3,0,0]=4 565 B9R1.7 FCCn1cc(cn1)Br 1P01AP76 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.7 FCCn1cc(cn1)Cl 1P01AP75 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.7 FCCn1cc(cn1)I 1P01AP77 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.7 Fc1cn(nc1)CCBr 1P01K1NI [0,1,0,0,0,0|3,0,0]=4 569 B9R1.7 NCCc1[nH][nH]c(=O)c1 1P01A1UC [0,1,0,0,0,0|2,0,0]=3 570 B9R1.7 NCCc1[nH]nc(c1)C 1P028L9M [0,1,0,0,0,0|2,0,0]=3 571 B9R1.7 NCCc1[nH]nc(n1)Br 1P028CRI [0,1,0,0,0,0|3,0,0]=4 572 B9R1.7 NCCc1[nH]nc(n1)N 1P01BCKA [0,1,0,0,0,0|3,0,0]=4 573 B9R1.7 NCCc1cc(cs1)Br 1P000EG0 [0,1,0,0,0,0|0,0,0]=1 574 B9R1.7 NCCc1cc(no1)Br 1P028W5V [0,1,0,0,0,0|1,1,0]=3 575 B9R1.7 NCCc1cc(no1)O 1P01FIC2 [0,1,0,0,0,0|1,1,0]=3 576 B9R1.7 NCCc1ccc(o1)Br 1P01A1LP [0,1,0,0,0,0|0,1,0]=2 577 B9R1.7 NCCc1ccc(o1)Br 1P01AES0 [0,1,0,0,0,0|0,1,0]=2 578 B9R1.7 NCCc1ccc(s1)Br 1P00H3HI [0,1,0,0,0,0|0,0,0]=1 579 B9R1.7 NCCc1ccc(s1)Cl 1P00DK83 [0,1,0,0,0,0|0,0,0]=1 580 B9R1.7 NCCc1ccc(s1)I 1P01AA75 [0,1,0,0,0,0|0,0,0]=1 581 B9R1.7 NCCc1ccn(n1)C 1P00IW99 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.7 NCCc1cnc([nH]1)N 1P01B76X [0,1,0,0,0,0|2,0,0]=3 583 B9R1.7 NCCc1cnc([nH]1)S 1P028RRV [0,1,0,0,0,0|2,0,0]=3 584 B9R1.7 NCCc1cnc(o1)C 1P01FJW6 [0,1,0,0,0,0|1,1,0]=3 585 B9R1.7 NCCc1cnc(s1)Br 1P028AL1 [0,1,0,0,0,0|1,0,0]=2 586 B9R1.7 NCCc1cnc(s1)Cl 1P01AFTH [0,1,0,0,0,0|1,0,0]=2 587 B9R1.7 NCCc1cnc(s1)N 1P009288 [0,1,0,0,0,0|1,0,0]=2 588 B9R1.7 NCCc1cnn(c1)C 1P008M4B [0,1,0,0,0,0|3,0,0]=4 589 B9R1.7 NCCc1cnn(c1)C 1P00J3I9 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.7 NCCc1cnn(c1)C 1P0288TC [0,1,0,0,0,0|3,0,0]=4 591 B9R1.7 NCCc1csc(=O)[nH]1 1P01BDB6 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.7 NCCc1csc(c1)Br 1P027PD7 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.7 NCCc1csc(n1)C 1P01A3PD [0,1,0,0,0,0|2,0,0]=3 594 B9R1.7 NCCc1csc(n1)C 1P028D1O [0,1,0,0,0,0|2,0,0]=3 595 B9R1.7 NCCc1csc(n1)N 1P00H274 [0,1,0,0,0,0|2,0,0]=3 596 B9R1.7 NCCc1csc(n1)N 1P00J1OU [0,1,0,0,0,0|2,0,0]=3 597 B9R1.7 NCCc1csc(n1)N 1P01BFXR [0,1,0,0,0,0|2,0,0]=3 598 B9R1.7 NCCc1n[nH]c(=O)[nH]1 1P00J1LK [0,1,0,0,0,0|3,0,0]=4 599 B9R1.7 NCCc1n[nH]c(=O)o1 1P027UPE [0,1,0,0,0,0|2,1,0]=4 600 B9R1.7 NCCc1n[nH]c(=S)o1 1P01ADL0 [0,1,0,0,0,0|2,1,0]=4 601 B9R1.7 NCCc1n[nH]c(n1)C 1P01ABWJ [0,1,0,0,0,0|3,0,0]=4 602 B9R1.7 NCCc1n[nH]c(n1)N 1P00IKSU [0,1,0,0,0,0|3,0,0]=4 603 B9R1.7 NCCc1nc(=O)o[nH]1 1P01BGKR [0,1,0,0,0,0|3,0,0]=4 604 B9R1.7 NCCc1nc([nH]c1)C 1P007AK9 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.7 NCCc1nc(n[nH]1)Br 1P028Q4E [0,1,0,0,0,0|3,0,0]=4 606 B9R1.7 NCCc1ncc(o1)C 1P028TLR [0,1,0,0,0,0|1,1,0]=3 607 B9R1.7 NCCc1ncc(s1)Br 1P01BCLS [0,1,0,0,0,0|1,0,0]=2 608 B9R1.7 NCCc1ncc(s1)C 1P01AI7W [0,1,0,0,0,0|1,0,0]=2 609 B9R1.7 NCCc1ncn(c1)C 1P003911 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.7 NCCc1ncn(c1)C 1P027ZH8 [0,1,0,0,0,0|2,0,0]=3 611 B9R1.7 NCCc1ncn(n1)C 1P019ZLR [0,1,0,0,0,0|3,0,0]=4 612 B9R1.7 NCCc1ncn(n1)C 1P027Z6P [0,1,0,0,0,0|3,0,0]=4 613 B9R1.7 NCCc1nnc(o1)N 1P01AGIW [0,1,0,0,0,0|2,1,0]=4 614 B9R1.7 NCCc1nnc(s1)C 1P00J1XW [0,1,0,0,0,0|2,0,0]=3 615 B9R1.7 NCCc1noc(n1)C 1P00HJ6V [0,1,0,0,0,0|3,0,0]=4 616 B9R1.7 NCCc1onc(n1)N 1P019SAG [0,1,0,0,0,0|2,1,0]=4 617 B9R1.7 NCCc1snc(c1)C 1P0291UB [0,1,0,0,0,0|1,0,0]=2 618 B9R1.7 NCCn1cc(cn1)Br 1P01BBBI [0,1,0,0,0,0|2,0,0]=3 619 B9R1.7 NCCn1cc(cn1)Cl 1P0058WK [0,1,0,0,0,0|2,0,0]=3 620 B9R1.7 NCCn1cc(cn1)F 1P01K1OC [0,1,0,0,0,0|2,0,0]=3 621 B9R1.7 NCCn1cc(cn1)I 1P01FJ5X [0,1,0,0,0,0|2,0,0]=3 622 B9R1.7 NCCn1cc(nn1)Br 1P028S7G [0,1,0,0,0,0|3,0,0]=4 623 B9R1.7 NCCn1ccc(n1)Br 1P01AP4W [0,1,0,0,0,0|2,0,0]=3 624 B9R1.7 NCCn1ccc(n1)C 1P01DTPF [0,1,0,0,0,0|2,0,0]=3 625 B9R1.7 NCCn1cnc(c1)I 1P028VUH [0,1,0,0,0,0|3,0,0]=4 626 B9R1.7 NCCn1ncc(c1)C 1P00J275 [0,1,0,0,0,0|2,0,0]=3 627 B9R1.7 NCCn1ncc(n1)Br 1P028HH4 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.7 NNCc1ccn(n1)C 1P01JV8W [0,1,0,0,0,0|3,0,0]=4 629 B9R1.7 NOCc1cnc(s1)C 1P0284RB [0,1,0,0,0,0|2,0,0]=3 630 B9R1.7 Nc1cc([nH]n1)CCO 1P01KLJP [0,1,0,0,0,0|3,0,0]=4 631 B9R1.7 Nc1ccn(n1)CCF 1P01BSKH [0,1,0,0,0,0|3,0,0]=4 632 B9R1.7 Nc1ccn(n1)CCO 1P008IOU [0,1,0,0,0,0|3,0,0]=4 633 B9R1.7 Nc1cn(nc1)CCO 1P0067S2 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.7 Nc1cn(nc1)CCO 1P00HFKW [0,1,0,0,0,0|3,0,0]=4 635 B9R1.7 Nc1nc(cs1)CCCl 1P0292FN [0,1,0,0,0,0|3,0,0]=4 636 B9R1.7 Nc1nc(cs1)CCO 1P0020BA [0,1,0,0,0,0|3,0,0]=4 637 B9R1.7 Nc1nc(cs1)CCO 1P00J25V [0,1,0,0,0,0|3,0,0]=4 638 B9R1.7 Nc1ncc(s1)CCBr 1P0285CQ [0,1,0,0,0,0|2,0,0]=3 639 B9R1.7 Nc1ncc(s1)CCO 1P0033K3 [0,1,0,0,0,0|2,0,0]=3 640 B9R1.7 OCCc1cc(no1)Br 1P008UEY [0,1,0,0,0,0|2,1,0]=4 641 B9R1.7 OCCc1ccc(s1)Br 1P01DWYV [0,1,0,0,0,0|1,0,0]=2 642 B9R1.7 OCCc1ccc(s1)Cl 1P01EARD [0,1,0,0,0,0|1,0,0]=2 643 B9R1.7 OCCc1cnc(s1)Cl 1P0026F7 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.7 OCCc1csc(c1)Br 1P01BHKN [0,1,0,0,0,0|3,0,0]=4 645 B9R1.7 OCCc1csc(c1)C 1P01BBDV [0,1,0,0,0,0|3,0,0]=4 646 B9R1.7 OCCc1csc(c1)Cl 1P0288A7 [0,1,0,0,0,0|3,0,0]=4 647 B9R1.7 OCCc1csc(n1)Br 1P002T5S [0,1,0,0,0,0|3,0,0]=4 648 B9R1.7 OCCc1ncc(s1)Br 1P028YH4 [0,1,0,0,0,0|2,0,0]=3 649 B9R1.7 OCCn1cc(cn1)Br 1P003LB6 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.7 OCCn1cc(cn1)Cl 1P0002CH [0,1,0,0,0,0|3,0,0]=4 651 B9R1.7 OCCn1cc(cn1)I 1P001DBL [0,1,0,0,0,0|3,0,0]=4 652 B9R1.7 OCCn1ccc(=O)[nH]1 1P028HFB [0,1,0,0,0,0|3,0,0]=4 653 B9R1.7 OCCn1ccc(n1)Br 1P01V8ES [0,1,0,0,0,0|3,0,0]=4 654 B9R1.7 ON=Cc1cc(cs1)Cl 1P027Y00 [0,1,0,0,0,0|2,0,1]=4 655 B9R1.7 O\N=C\c1ccc(s1)Br 1P003N1S [0,1,0,0,0,0|2,0,1]=4 656 B9R1.7 SCCn1cc(cn1)Br 1P0288LE [0,1,0,0,0,0|3,0,0]=4 657 B9R1.7 [C-]#[N+]Cc1ccc(o1)C 1P01NLZE [0,1,0,0,0,0|2,1,0]=4 658 B9R1.11 BrCC(=O)c1ccc[nH]1 1P005CA3 [0,1,0,0,0,0|2,0,1]=4 659 B9R1.11 BrCC(=O)c1ccco1 1P001NJG [0,1,0,0,0,0|1,1,1]=4 660 B9R1.11 BrCC(=O)c1cccs1 1P003H2I [0,1,0,0,0,0|1,0,1]=3 661 B9R1.11 BrCC(=O)c1nccs1 1P00BZYW [0,1,0,0,0,0|2,0,1]=4 662 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [0,1,0,0,0,0|2,0,1]=4 663 B9R1.11 CCC(=O)c1ccco1 1P003ID4 [0,1,0,0,0,0|1,1,1]=4 664 B9R1.11 CCC(=O)c1cccs1 1P0012U6 [0,1,0,0,0,0|1,0,1]=3 665 B9R1.11 CCC(=O)c1nccs1 1P003BQB [0,1,0,0,0,0|2,0,1]=4 666 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [0,1,0,0,0,0|1,1,0]=3 667 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [0,1,0,0,0,0|1,0,0]=2 668 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [0,1,0,0,0,0|1,0,0]=2 669 B9R1.11 CCC(c1cocn1)N 1P028JJG [0,1,0,0,0,0|3,0,0]=4 670 B9R1.11 CCC(c1ncc[nH]1)N 1P019U6F [0,1,0,0,0,0|3,0,0]=4 671 B9R1.11 CCC(c1ncc[nH]1)O 1P01BFPD [0,1,0,0,0,0|3,0,0]=4 672 B9R1.11 CCC(c1nccs1)N 1P00DD9N [0,1,0,0,0,0|2,0,0]=3 673 B9R1.11 CCC(c1nccs1)N 1P00J1N8 [0,1,0,0,0,0|2,0,0]=3 674 B9R1.11 CCC(c1nccs1)N 1P0284QG [0,1,0,0,0,0|2,0,0]=3 675 B9R1.11 CCC(c1nccs1)O 1P0291G3 [0,1,0,0,0,0|2,0,0]=3 676 B9R1.11 CCC(c1ncsc1)N 1P01KLPF [0,1,0,0,0,0|3,0,0]=4 677 B9R1.11 CCC(n1cccn1)C 1P01AOSY [0,1,0,0,0,0|3,0,0]=4 678 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [0,1,0,0,0,0|1,0,0]=2 679 B9R1.11 CN=C(c1cccs1)Cl 1P00FCK1 [0,1,0,0,0,0|2,0,1]=4 680 B9R1.11 CNC(=O)c1cccs1 1P00C8IU [0,1,0,0,0,0|2,0,1]=4 681 B9R1.11 CNC(c1ccco1)C 1P019MEE [0,1,0,0,0,0|2,1,0]=4 682 B9R1.11 CNC(c1cccs1)C 1P00201P [0,1,0,0,0,0|2,0,0]=3 683 B9R1.11 CNC(c1cccs1)C 1P00J3S0 [0,1,0,0,0,0|2,0,0]=3 684 B9R1.11 CNC(c1nccs1)C 1P00J1AO [0,1,0,0,0,0|3,0,0]=4 685 B9R1.11 CNC(c1nccs1)C 1P028A6W [0,1,0,0,0,0|3,0,0]=4 686 B9R1.11 COC(=O)c1cccs1 1P003SJG [0,1,0,0,0,0|2,0,1]=4 687 B9R1.11 CSC(=N)c1cccs1 1P00IB3G [0,1,0,0,0,0|2,0,1]=4 688 B9R1.11 ClCC(=O)c1ccc[nH]1 1P00DIVX [0,1,0,0,0,0|2,0,1]=4 689 B9R1.11 ClCC(=O)c1ccco1 1P00DMAM [0,1,0,0,0,0|1,1,1]=4 690 B9R1.11 ClCC(=O)c1cccs1 1P002ZKT [0,1,0,0,0,0|1,0,1]=3 691 B9R1.11 ClCC(=O)c1ccns1 1P01C5EK [0,1,0,0,0,0|2,0,1]=4 692 B9R1.11 ClCC(=O)c1cncs1 1P028UK9 [0,1,0,0,0,0|2,0,1]=4 693 B9R1.11 ICC(=O)c1ccc[nH]1 1P01C1RM [0,1,0,0,0,0|2,0,1]=4 694 B9R1.11 N#CC(c1ccco1)C 1P01B6OK [0,1,0,0,0,0|0,1,2]=4 695 B9R1.11 N#CC(c1cccs1)C 1P01AKBR [0,1,0,0,0,0|0,0,2]=3 696 B9R1.11 N#CC(c1cccs1)N 1P00VTCY [0,1,0,0,0,0|0,0,2]=3 697 B9R1.11 N#CC(c1nccs1)C 1P009SDG [0,1,0,0,0,0|1,0,2]=4 698 B9R1.11 NCC(=O)c1ccc[nH]1 1P027ZXO [0,1,0,0,0,0|1,0,1]=3 699 B9R1.11 NCC(=O)c1ccco1 1P0045RE [0,1,0,0,0,0|0,1,1]=3 700 B9R1.11 NCC(=O)c1ccsn1 1P027XBJ [0,1,0,0,0,0|2,0,1]=4 701 B9R1.11 NCC(=O)c1cscn1 1P028AIH [0,1,0,0,0,0|2,0,1]=4 702 B9R1.11 NCC(=O)c1nccs1 1P028BYG [0,1,0,0,0,0|1,0,1]=3 703 B9R1.11 NCC(=O)c1nccs1 1P028CE0 [0,1,0,0,0,0|1,0,1]=3 704 B9R1.11 NCC(c1ccco1)O 1P00C1QL [0,1,0,0,0,0|0,1,0]=2 705 B9R1.11 NCC(c1cccs1)C 1P01AKCV [0,1,0,0,0,0|0,0,0]=1 706 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [0,1,0,0,0,0|0,0,0]=1 707 B9R1.11 NCC(c1cocc1)O 1P028IXV [0,1,0,0,0,0|2,0,0]=3 708 B9R1.11 NCC(c1cscc1)C 1P019TLO [0,1,0,0,0,0|2,0,0]=3 709 B9R1.11 NCC(c1cscc1)C 1P01RJKJ [0,1,0,0,0,0|2,0,0]=3 710 B9R1.11 NCC(c1cscc1)O 1P009215 [0,1,0,0,0,0|2,0,0]=3 711 B9R1.11 NCC(c1nc[nH]c1)F 1P028A2Z [0,1,0,0,0,0|2,0,0]=3 712 B9R1.11 NCC(c1nc[nH]c1)O 1P01BIWS [0,1,0,0,0,0|2,0,0]=3 713 B9R1.11 NCC(c1ncc[nH]1)C 1P01DXBZ [0,1,0,0,0,0|2,0,0]=3 714 B9R1.11 NCC(c1nccs1)C 1P01A7JT [0,1,0,0,0,0|1,0,0]=2 715 B9R1.11 NCC(c1nocn1)C 1P01EIJJ [0,1,0,0,0,0|3,0,0]=4 716 B9R1.11 NCC(n1cccn1)C 1P000EF5 [0,1,0,0,0,0|2,0,0]=3 717 B9R1.11 NC[C@@H](c1n[nH]cn1)O 1P027V0R [0,1,0,0,0,0|3,0,0]=4 718 B9R1.11 NC[C@@H](n1ccnn1)C 1P028T9Q [0,1,0,0,0,0|3,0,0]=4 719 B9R1.11 NC[C@H](n1ccnn1)C 1P028RT2 [0,1,0,0,0,0|3,0,0]=4 720 B9R1.11 NNC(=O)c1ccc[nH]1 1P00DA8K [0,1,0,0,0,0|2,0,1]=4 721 B9R1.11 NNC(=O)c1ccco1 1P003R5U [0,1,0,0,0,0|1,1,1]=4 722 B9R1.11 NNC(=O)c1cccs1 1P003IEX [0,1,0,0,0,0|1,0,1]=3 723 B9R1.11 NNC(=O)c1cccs1 1P01AD5T [0,1,0,0,0,0|1,0,1]=3 724 B9R1.11 NNC(=O)c1cncs1 1P0004K2 [0,1,0,0,0,0|2,0,1]=4 725 B9R1.11 NNC(=O)c1nccs1 1P001XS5 [0,1,0,0,0,0|2,0,1]=4 726 B9R1.11 O=CC(=O)c1cccs1 1P022B63 [0,1,0,0,0,0|1,0,2]=4 727 B9R1.11 OC(c1cscn1)CO 1P01DW7E [0,1,0,0,0,0|3,0,0]=4 728 B9R1.11 OC(c1cscn1)CO 1P01FLFC [0,1,0,0,0,0|3,0,0]=4 729 B9R1.11 OCC(=O)c1ccco1 1P0025D5 [0,1,0,0,0,0|1,1,1]=4 730 B9R1.11 OCC(c1ccco1)N 1P00BJSX [0,1,0,0,0,0|1,1,0]=3 731 B9R1.11 OCC(c1cccs1)N 1P00I4GJ [0,1,0,0,0,0|1,0,0]=2 732 B9R1.11 OCC(c1cscc1)N 1P0096QN [0,1,0,0,0,0|3,0,0]=4 733 B9R1.11 OCC(c1ncc[nH]1)C 1P001KIP [0,1,0,0,0,0|3,0,0]=4 734 B9R1.11 OCC(c1ncc[nH]1)N 1P01EMU4 [0,1,0,0,0,0|3,0,0]=4 735 B9R1.11 OCC(c1ncsc1)N 1P028GPX [0,1,0,0,0,0|3,0,0]=4 736 B9R1.11 OCC(n1cccn1)C 1P002FW5 [0,1,0,0,0,0|3,0,0]=4 737 B9R1.11 OC[C@@H](c1nccs1)N 1P01XCY9 [0,1,0,0,0,0|2,0,0]=3 738 B9R1.11 OC[C@H](c1ccco1)N 1P024G1T [0,1,0,0,0,0|1,1,0]=3 739 B9R1.11 OC[C@H](c1ccco1)O 1P001DDJ [0,1,0,0,0,0|1,1,0]=3 740 B9R1.11 OC[C@H](c1nccs1)N 1P024HDB [0,1,0,0,0,0|2,0,0]=3 741 B9R1.11 OC[C@H](c1ncsc1)N 1P024HF9 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.11 ON=C(c1cccs1)C 1P00AQAD [0,1,0,0,0,0|2,0,1]=4 743 B9R1.11 ONC(=N)c1cccs1 1P003TJ1 [0,1,0,0,0,0|2,0,1]=4 744 B9R1.11 ONC(=O)c1cccs1 1P0025IK [0,1,0,0,0,0|2,0,1]=4 745 B9R1.11 O\N=C(\c1cccs1)/N 1P008T9D [0,1,0,0,0,0|2,0,1]=4 746 B9R1.11 [NH3+]CC(=O)c1cccs1 1P00FI1W [0,1,0,0,0,0|0,0,2]=3 747 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,1,0,0,0,0|1,0,0]=2 748 B9R1.12 BrCCCc1cocc1 1P01BL8R [0,1,0,0,0,0|3,0,0]=4 749 B9R1.12 BrCCCc1cscc1 1P01A6PE [0,1,0,0,0,0|3,0,0]=4 750 B9R1.12 BrCCCn1cccc1 1P0003AU [0,1,0,0,0,0|3,0,0]=4 751 B9R1.12 BrCCCn1cccn1 1P0284KY [0,1,0,0,0,0|3,0,0]=4 752 B9R1.12 C#CCCc1ccco1 1P01XIDT [0,1,0,0,0,0|1,1,0]=3 753 B9R1.12 C#CCNc1nccs1 1P019TY4 [0,1,0,0,0,0|2,0,1]=4 754 B9R1.12 C(c1c[nH]cn1)CC#N 1P01AGOB [0,1,0,0,0,0|2,0,1]=4 755 B9R1.12 CCCCc1ccco1 1P003HAJ [0,1,0,0,0,0|1,1,0]=3 756 B9R1.12 CCCCc1cccs1 1P001DL3 [0,1,0,0,0,0|1,0,0]=2 757 B9R1.12 CCCCc1cnco1 1P00556R [0,1,0,0,0,0|2,1,0]=4 758 B9R1.12 CCCCc1cscc1 1P003JMD [0,1,0,0,0,0|3,0,0]=4 759 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.12 CCCCn1cccn1 1P00DSOY [0,1,0,0,0,0|3,0,0]=4 761 B9R1.12 CCNCc1ccco1 1P001KUX [0,1,0,0,0,0|1,1,0]=3 762 B9R1.12 CCNCc1ccco1 1P019NKP [0,1,0,0,0,0|1,1,0]=3 763 B9R1.12 CCNCc1cccs1 1P003TG0 [0,1,0,0,0,0|1,0,0]=2 764 B9R1.12 CCNCc1cccs1 1P019LNO [0,1,0,0,0,0|1,0,0]=2 765 B9R1.12 CCNCc1cocc1 1P01A9Y0 [0,1,0,0,0,0|3,0,0]=4 766 B9R1.12 CCNCc1cscc1 1P027TQF [0,1,0,0,0,0|3,0,0]=4 767 B9R1.12 CCNCc1ncc[nH]1 1P021BUP [0,1,0,0,0,0|3,0,0]=4 768 B9R1.12 CCNCc1nccs1 1P01ALJ6 [0,1,0,0,0,0|2,0,0]=3 769 B9R1.12 CCOCc1ccco1 1P0037LZ [0,1,0,0,0,0|1,1,0]=3 770 B9R1.12 CCOCc1ncc[nH]1 1P0284KD [0,1,0,0,0,0|3,0,0]=4 771 B9R1.12 CNCCc1[nH]cnc1 1P001VOS [0,1,0,0,0,0|2,0,0]=3 772 B9R1.12 CNCCc1c[nH]nc1 1P005ZGX [0,1,0,0,0,0|3,0,0]=4 773 B9R1.12 CNCCc1c[nH]nc1 1P00J3TC [0,1,0,0,0,0|3,0,0]=4 774 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [0,1,0,0,0,0|2,0,0]=3 775 B9R1.12 CNCCc1cccs1 1P0083BL [0,1,0,0,0,0|0,0,0]=1 776 B9R1.12 CNCCc1nccs1 1P01A2UB [0,1,0,0,0,0|1,0,0]=2 777 B9R1.12 CNCCc1nocn1 1P00J31N [0,1,0,0,0,0|3,0,0]=4 778 B9R1.12 CNCCn1cccn1 1P01AHTQ [0,1,0,0,0,0|2,0,0]=3 779 B9R1.12 CNCCn1ccnn1 1P028PGX [0,1,0,0,0,0|3,0,0]=4 780 B9R1.12 CNCCn1cncc1 1P00J3M1 [0,1,0,0,0,0|3,0,0]=4 781 B9R1.12 COCCc1cccs1 1P0284DO [0,1,0,0,0,0|1,0,0]=2 782 B9R1.12 COCCn1cccn1 1P01A1WG [0,1,0,0,0,0|3,0,0]=4 783 B9R1.12 CSSCc1ccco1 1P003SGX [0,1,0,0,0,0|2,1,0]=4 784 B9R1.12 ClCC#Cc1cccs1 1P01E42F [0,1,0,0,0,0|1,0,1]=3 785 B9R1.12 ClCC#Cc1ccns1 1P01DWKT [0,1,0,0,0,0|2,0,1]=4 786 B9R1.12 ClCC#Cc1cncs1 1P028SBV [0,1,0,0,0,0|2,0,1]=4 787 B9R1.12 ClCCCn1cccn1 1P00C8QV [0,1,0,0,0,0|3,0,0]=4 788 B9R1.12 ClCCCn1cccn1 1P00HISJ [0,1,0,0,0,0|3,0,0]=4 789 B9R1.12 FCCCn1cccc1 1P028IU2 [0,1,0,0,0,0|3,0,0]=4 790 B9R1.12 ICCCc1cccs1 1P01FSKP [0,1,0,0,0,0|1,0,0]=2 791 B9R1.12 N#CCCc1ccco1 1P019UDZ [0,1,0,0,0,0|0,1,1]=3 792 B9R1.12 N#CCCn1cccc1 1P00DF3W [0,1,0,0,0,0|2,0,1]=4 793 B9R1.12 N#CCCn1cccn1 1P004FU4 [0,1,0,0,0,0|2,0,1]=4 794 B9R1.12 NCCCN1CC=CC1 1P019TPE [0,1,0,0,0,0|2,0,1]=4 795 B9R1.12 NCCCc1c[nH]nc1 1P002LC8 [0,1,0,0,0,0|3,0,0]=4 796 B9R1.12 NCCCc1c[nH]nc1 1P01EIHT [0,1,0,0,0,0|3,0,0]=4 797 B9R1.12 NCCCc1cc[nH]n1 1P01B1PA [0,1,0,0,0,0|2,0,0]=3 798 B9R1.12 NCCCc1ccco1 1P00DD6T [0,1,0,0,0,0|0,1,0]=2 799 B9R1.12 NCCCc1cccs1 1P00ELTB [0,1,0,0,0,0|0,0,0]=1 800 B9R1.12 NCCCc1cocn1 1P01DWF0 [0,1,0,0,0,0|2,0,0]=3 801 B9R1.12 NCCCc1conc1 1P01FJWN [0,1,0,0,0,0|3,0,0]=4 802 B9R1.12 NCCCc1cscc1 1P01ABDM [0,1,0,0,0,0|2,0,0]=3 803 B9R1.12 NCCCc1csnn1 1P027VO9 [0,1,0,0,0,0|3,0,0]=4 804 B9R1.12 NCCCc1n[nH]cn1 1P01BI6Y [0,1,0,0,0,0|3,0,0]=4 805 B9R1.12 NCCCc1nc[nH]c1 1P00CMFZ [0,1,0,0,0,0|2,0,0]=3 806 B9R1.12 NCCCc1ncc[nH]1 1P00I72Q [0,1,0,0,0,0|2,0,0]=3 807 B9R1.12 NCCCc1ncco1 1P028613 [0,1,0,0,0,0|1,1,0]=3 808 B9R1.12 NCCCc1nccs1 1P00EELN [0,1,0,0,0,0|1,0,0]=2 809 B9R1.12 NCCCc1nccs1 1P00J3SR [0,1,0,0,0,0|1,0,0]=2 810 B9R1.12 NCCCc1ncno1 1P01A0EM [0,1,0,0,0,0|2,1,0]=4 811 B9R1.12 NCCCc1nn[nH]c1 1P028Q46 [0,1,0,0,0,0|3,0,0]=4 812 B9R1.12 NCCCc1nnco1 1P01DXQT [0,1,0,0,0,0|2,1,0]=4 813 B9R1.12 NCCCc1nnsc1 1P027W2J [0,1,0,0,0,0|3,0,0]=4 814 B9R1.12 NCCCc1scnn1 1P028ZCF [0,1,0,0,0,0|2,0,0]=3 815 B9R1.12 NCCCn1cccc1 1P00EEGJ [0,1,0,0,0,0|2,0,0]=3 816 B9R1.12 NCCCn1cccn1 1P005JEZ [0,1,0,0,0,0|2,0,0]=3 817 B9R1.12 NCCCn1cccn1 1P00J1KO [0,1,0,0,0,0|2,0,0]=3 818 B9R1.12 NCCCn1ccnn1 1P00DAPG [0,1,0,0,0,0|3,0,0]=4 819 B9R1.12 NCCCn1ccnn1 1P01A6WM [0,1,0,0,0,0|3,0,0]=4 820 B9R1.12 NCCCn1cncc1 1P0035R2 [0,1,0,0,0,0|3,0,0]=4 821 B9R1.12 NCCCn1cncn1 1P005U30 [0,1,0,0,0,0|3,0,0]=4 822 B9R1.12 NCCCn1cncn1 1P00GAT3 [0,1,0,0,0,0|3,0,0]=4 823 B9R1.12 NCCCn1nccn1 1P01ATCT [0,1,0,0,0,0|3,0,0]=4 824 B9R1.12 NCCCn1ncnc1 1P00J1LE [0,1,0,0,0,0|3,0,0]=4 825 B9R1.12 NCCOc1cscc1 1P0280CL [0,1,0,0,0,0|2,0,0]=3 826 B9R1.12 NCCSc1cnn[nH]1 1P00J1EB [0,1,0,0,0,0|3,0,0]=4 827 B9R1.12 NCCSc1ncn[nH]1 1P00J1T9 [0,1,0,0,0,0|3,0,0]=4 828 B9R1.12 O=C=NCc1ccco1 1P00FBVQ [0,1,0,0,0,0|1,1,1]=4 829 B9R1.12 O=C=NCc1cccs1 1P00FDPX [0,1,0,0,0,0|1,0,1]=3 830 B9R1.12 O=CCCc1ccco1 1P024Z0F [0,1,0,0,0,0|1,1,0]=3 831 B9R1.12 O=CCCc1cccs1 1P002TCP [0,1,0,0,0,0|1,0,0]=2 832 B9R1.12 O=CCCc1cscc1 1P01J8CC [0,1,0,0,0,0|3,0,0]=4 833 B9R1.12 O=CCCn1cccn1 1P003ZHT [0,1,0,0,0,0|3,0,0]=4 834 B9R1.12 O=CNCc1ccco1 1P005G3V [0,1,0,0,0,0|1,1,1]=4 835 B9R1.12 O=CSCc1ccco1 1P003R65 [0,1,0,0,0,0|1,1,1]=4 836 B9R1.12 OCC#Cc1cccs1 1P01KCN4 [0,1,0,0,0,0|1,0,1]=3 837 B9R1.12 OCCCc1c[nH]cn1 1P00B2L0 [0,1,0,0,0,0|3,0,0]=4 838 B9R1.12 OCCCc1ccco1 1P01A4WN [0,1,0,0,0,0|1,1,0]=3 839 B9R1.12 OCCCc1cccs1 1P003II9 [0,1,0,0,0,0|1,0,0]=2 840 B9R1.12 OCCCc1cnc[nH]1 1P00DXMX [0,1,0,0,0,0|3,0,0]=4 841 B9R1.12 OCCCc1cncs1 1P01C61L [0,1,0,0,0,0|2,0,0]=3 842 B9R1.12 OCCCc1cocc1 1P01BIE2 [0,1,0,0,0,0|3,0,0]=4 843 B9R1.12 OCCCc1cscc1 1P003IJE [0,1,0,0,0,0|3,0,0]=4 844 B9R1.12 OCCCc1cscn1 1P0059GX [0,1,0,0,0,0|3,0,0]=4 845 B9R1.12 OCCCc1ncc[nH]1 1P028LAA [0,1,0,0,0,0|3,0,0]=4 846 B9R1.12 OCCCc1ncco1 1P028P3G [0,1,0,0,0,0|2,1,0]=4 847 B9R1.12 OCCCn1cccc1 1P003DDX [0,1,0,0,0,0|3,0,0]=4 848 B9R1.12 OCCCn1cccn1 1P0022R3 [0,1,0,0,0,0|3,0,0]=4 849 B9R1.12 OCCNc1nccs1 1P021MDM [0,1,0,0,0,0|2,0,0]=3 850 B9R1.12 OCCSc1ncc[nH]1 1P01DVPL [0,1,0,0,0,0|3,0,0]=4 851 B9R1.12 S=C=NCc1ccco1 1P003HTA [0,1,0,0,0,0|1,1,1]=4 852 B9R1.12 S=C=NCc1cccs1 1P00CO08 [0,1,0,0,0,0|1,0,1]=3 853 B9R1.12 SCCCc1cocc1 1P028TXM [0,1,0,0,0,0|3,0,0]=4 854 B9R1.12 [N-]=[N+]=NCc1ccco1 1P027N70 [0,1,0,0,0,0|1,1,1]=4 855 B9R1.12 [N-]=[N+]=NCc1cccs1 1P019SVZ [0,1,0,0,0,0|1,0,1]=3 856 B9R1.12 [N-]=[N+]=NCc1nccs1 1P01BDV8 [0,1,0,0,0,0|2,0,1]=4 857 B9R1.12 [Pd]CC=CC1=CC=CC1 1P000X54 [0,1,0,0,0,0|2,0,1]=4 858 B9R1.13 CC(=O)Cc1ccco1 1P003BP0 [0,1,0,0,0,0|1,1,1]=4 859 B9R1.13 CC(=O)Cc1cccs1 1P007GZM [0,1,0,0,0,0|1,0,1]=3 860 B9R1.13 CC(=O)Nc1cccs1 1P000V1D [0,1,0,0,0,0|2,0,1]=4 861 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [0,1,0,0,0,0|2,0,0]=3 862 B9R1.13 CC(Cc1c[nH]nc1)N 1P0281LL [0,1,0,0,0,0|3,0,0]=4 863 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [0,1,0,0,0,0|2,0,0]=3 864 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [0,1,0,0,0,0|0,1,0]=2 865 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,1,0,0,0,0|1,1,0]=3 866 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [0,1,0,0,0,0|1,0,0]=2 867 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [0,1,0,0,0,0|0,0,0]=1 868 B9R1.13 CC(Cc1ccno1)O 1P01C9P6 [0,1,0,0,0,0|2,1,0]=4 869 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [0,1,0,0,0,0|2,0,0]=3 870 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [0,1,0,0,0,0|2,0,0]=3 871 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [0,1,0,0,0,0|2,0,0]=3 872 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [0,1,0,0,0,0|3,0,0]=4 873 B9R1.13 CC(Cc1n[nH]cn1)N 1P027UH0 [0,1,0,0,0,0|3,0,0]=4 874 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [0,1,0,0,0,0|2,0,0]=3 875 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [0,1,0,0,0,0|3,0,0]=4 876 B9R1.13 CC(Cc1ncc[nH]1)O 1P01A054 [0,1,0,0,0,0|3,0,0]=4 877 B9R1.13 CC(Cc1ncc[nH]1)O 1P028WTT [0,1,0,0,0,0|3,0,0]=4 878 B9R1.13 CC(Cc1nccs1)C 1P003BP9 [0,1,0,0,0,0|2,0,0]=3 879 B9R1.13 CC(Cn1cccn1)C 1P00ICQU [0,1,0,0,0,0|3,0,0]=4 880 B9R1.13 CC(Cn1cccn1)O 1P019Z2N [0,1,0,0,0,0|3,0,0]=4 881 B9R1.13 CC(Cn1cncc1)N 1P0065TX [0,1,0,0,0,0|3,0,0]=4 882 B9R1.13 CC(Cn1cncc1)N 1P0099YG [0,1,0,0,0,0|3,0,0]=4 883 B9R1.13 CC(Cn1cncn1)N 1P0045QL [0,1,0,0,0,0|3,0,0]=4 884 B9R1.13 CN(Cc1ccc[nH]1)C 1P00AL1G [0,1,0,0,0,0|3,0,0]=4 885 B9R1.13 CN(Cc1ccco1)C 1P001KUW [0,1,0,0,0,0|2,1,0]=4 886 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [0,1,0,0,0,0|2,0,0]=3 887 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [0,1,0,0,0,0|3,0,0]=4 888 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [0,1,0,0,0,0|2,0,0]=3 889 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [0,1,0,0,0,0|3,0,0]=4 890 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [0,1,0,0,0,0|2,0,0]=3 891 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [0,1,0,0,0,0|1,1,0]=3 892 B9R1.13 ClC(=O)Cc1cccs1 1P003IEV [0,1,0,0,0,0|1,0,1]=3 893 B9R1.13 FC(Cn1cccn1)F 1P01ACBN [0,1,0,0,0,0|3,0,0]=4 894 B9R1.13 NC(=N)Cc1cccs1 1P00EH2I [0,1,0,0,0,0|0,0,1]=2 895 B9R1.13 NC(=N)Cc1cscc1 1P01AAMS [0,1,0,0,0,0|2,0,1]=4 896 B9R1.13 NC(=N)Cn1cccn1 1P01ANKG [0,1,0,0,0,0|2,0,1]=4 897 B9R1.13 NC(=O)Cc1ccc[nH]1 1P00IG80 [0,1,0,0,0,0|1,0,1]=3 898 B9R1.13 NC(=O)Cc1cccs1 1P003V97 [0,1,0,0,0,0|0,0,1]=2 899 B9R1.13 NC(=O)Cc1cnc[nH]1 1P028C2D [0,1,0,0,0,0|2,0,1]=4 900 B9R1.13 NC(=O)Cc1cscc1 1P009XM0 [0,1,0,0,0,0|2,0,1]=4 901 B9R1.13 NC(=O)Cn1cccn1 1P007T21 [0,1,0,0,0,0|2,0,1]=4 902 B9R1.13 NC(=S)Cc1nccs1 1P024MFT [0,1,0,0,0,0|1,0,1]=3 903 B9R1.13 NC(=S)Cn1cccn1 1P00VV1Q [0,1,0,0,0,0|2,0,1]=4 904 B9R1.13 OC(=O)Cc1ccc[nH]1 1P003UJS [0,1,0,0,0,0|2,0,1]=4 905 B9R1.13 OC(=O)Cc1ccco1 1P0038KQ [0,1,0,0,0,0|1,1,1]=4 906 B9R1.13 OC(=O)Cc1cccs1 1P002FXX [0,1,0,0,0,0|1,0,1]=3 907 B9R1.13 OC(=O)Cc1cncs1 1P00DGD7 [0,1,0,0,0,0|2,0,1]=4 908 B9R1.13 OC(=O)Cc1nccs1 1P002I1D [0,1,0,0,0,0|2,0,1]=4 909 B9R1.13 [O-]C(=O)Cc1nccs1 1P019UGE [0,1,0,0,0,0|2,0,1]=4 910 B9R1.33 BrCCc1nccn1C 1P01BAET [0,1,0,0,0,0|3,0,0]=4 911 B9R1.33 BrCCn1nccc1C 1P01BBIK [0,1,0,0,0,0|3,0,0]=4 912 B9R1.33 CCCc1c(Br)cn[nH]1 1P01DR1Z [0,1,0,0,0,0|3,0,0]=4 913 B9R1.33 CCCn1nccc1C 1P00D199 [0,1,0,0,0,0|3,0,0]=4 914 B9R1.33 CCCn1nccc1I 1P01APA2 [0,1,0,0,0,0|3,0,0]=4 915 B9R1.33 CCCn1nccc1N 1P00C0K7 [0,1,0,0,0,0|3,0,0]=4 916 B9R1.33 CCCn1nccc1N 1P01FJXB [0,1,0,0,0,0|3,0,0]=4 917 B9R1.33 CNCc1cccn1C 1P002S01 [0,1,0,0,0,0|3,0,0]=4 918 B9R1.33 CNCc1occc1Br 1P027TXM [0,1,0,0,0,0|2,1,0]=4 919 B9R1.33 CNCc1occc1C 1P006RQJ [0,1,0,0,0,0|2,1,0]=4 920 B9R1.33 CNCc1sccc1Br 1P019UHJ [0,1,0,0,0,0|2,0,0]=3 921 B9R1.33 CNCc1sccc1C 1P00IECX [0,1,0,0,0,0|2,0,0]=3 922 B9R1.33 CNCc1sccc1Cl 1P027WYE [0,1,0,0,0,0|2,0,0]=3 923 B9R1.33 CNCc1scnc1C 1P00GSXT [0,1,0,0,0,0|3,0,0]=4 924 B9R1.33 COCc1sccc1Br 1P0009TG [0,1,0,0,0,0|2,0,0]=3 925 B9R1.33 COCc1sncc1Br 1P01FJ29 [0,1,0,0,0,0|3,0,0]=4 926 B9R1.33 Cc1c(CCN)nc[nH]1 1P00C0SN [0,1,0,0,0,0|2,0,0]=3 927 B9R1.33 Cc1c(CCN)nc[nH]1 1P01ALDP [0,1,0,0,0,0|2,0,0]=3 928 B9R1.33 Cc1nccn1CCN 1P0009Z2 [0,1,0,0,0,0|3,0,0]=4 929 B9R1.33 Cc1ncsc1CC#N 1P01AUTZ [0,1,0,0,0,0|1,0,2]=4 930 B9R1.33 Cc1ncsc1CCBr 1P00FGP2 [0,1,0,0,0,0|2,0,0]=3 931 B9R1.33 Cc1ncsc1CCCl 1P00DEHU [0,1,0,0,0,0|2,0,0]=3 932 B9R1.33 Cc1ncsc1CCCl 1P00EGCT [0,1,0,0,0,0|2,0,0]=3 933 B9R1.33 Cc1ncsc1CCN 1P00EDQY [0,1,0,0,0,0|1,0,0]=2 934 B9R1.33 Cc1ncsc1CCO 1P00135B [0,1,0,0,0,0|2,0,0]=3 935 B9R1.33 Cc1ocnc1CCN 1P028UTL [0,1,0,0,0,0|2,0,0]=3 936 B9R1.33 Cc1oncc1CCN 1P01EIJ8 [0,1,0,0,0,0|3,0,0]=4 937 B9R1.33 Cc1scnc1CCO 1P0076Q3 [0,1,0,0,0,0|3,0,0]=4 938 B9R1.33 ClCCc1nccn1C 1P00J2XE [0,1,0,0,0,0|3,0,0]=4 939 B9R1.33 ClCCn1nccc1C 1P006R86 [0,1,0,0,0,0|3,0,0]=4 940 B9R1.33 Cn1cncc1CCBr 1P01AGAD [0,1,0,0,0,0|3,0,0]=4 941 B9R1.33 Cn1cncc1CCCl 1P01C5M8 [0,1,0,0,0,0|3,0,0]=4 942 B9R1.33 Cn1cncc1CCO 1P01AD1I [0,1,0,0,0,0|3,0,0]=4 943 B9R1.33 Cn1nccc1CCBr 1P01BAGZ [0,1,0,0,0,0|3,0,0]=4 944 B9R1.33 Cn1nccc1CCCl 1P01BD64 [0,1,0,0,0,0|3,0,0]=4 945 B9R1.33 Cn1nccc1CCN 1P00J35M [0,1,0,0,0,0|2,0,0]=3 946 B9R1.33 Cn1nccc1CCO 1P01A00I [0,1,0,0,0,0|3,0,0]=4 947 B9R1.33 Cn1ncnc1CCN 1P019ZLQ [0,1,0,0,0,0|3,0,0]=4 948 B9R1.33 FCCn1nccc1N 1P00FSGT [0,1,0,0,0,0|3,0,0]=4 949 B9R1.33 N#CCc1cccn1C 1P00C3Z0 [0,1,0,0,0,0|1,0,2]=4 950 B9R1.33 N#CCc1sccc1Br 1P027NS3 [0,1,0,0,0,0|0,0,2]=3 951 B9R1.33 N#CCc1sccc1Cl 1P01DX8P [0,1,0,0,0,0|0,0,2]=3 952 B9R1.33 NCCc1c[nH]nc1C 1P0285Z1 [0,1,0,0,0,0|3,0,0]=4 953 B9R1.33 NCCc1c[nH]nc1O 1P028WYD [0,1,0,0,0,0|3,0,0]=4 954 B9R1.33 NCCc1ccsc1Cl 1P028T4A [0,1,0,0,0,0|2,0,0]=3 955 B9R1.33 NCCc1cncn1C 1P00C64F [0,1,0,0,0,0|2,0,0]=3 956 B9R1.33 NCCc1cnnn1C 1P01XBZW [0,1,0,0,0,0|3,0,0]=4 957 B9R1.33 NCCc1conc1Br 1P028I4F [0,1,0,0,0,0|3,0,0]=4 958 B9R1.33 NCCc1n[nH]nc1C 1P028Z4S [0,1,0,0,0,0|3,0,0]=4 959 B9R1.33 NCCc1nc[nH]c1Br 1P01FJ5T [0,1,0,0,0,0|2,0,0]=3 960 B9R1.33 NCCc1nccn1C 1P00J2CY [0,1,0,0,0,0|2,0,0]=3 961 B9R1.33 NCCc1ncnn1C 1P00J22C [0,1,0,0,0,0|3,0,0]=4 962 B9R1.33 NCCc1nncn1C 1P00J1Z4 [0,1,0,0,0,0|3,0,0]=4 963 B9R1.33 NCCc1sccc1Br 1P01BU9B [0,1,0,0,0,0|0,0,0]=1 964 B9R1.33 NCCc1sccc1C 1P01A4W7 [0,1,0,0,0,0|0,0,0]=1 965 B9R1.33 NCCc1sccc1Cl 1P027WT4 [0,1,0,0,0,0|0,0,0]=1 966 B9R1.33 NCCc1sccc1F 1P0291IN [0,1,0,0,0,0|0,0,0]=1 967 B9R1.33 NCCc1scnc1C 1P009A8D [0,1,0,0,0,0|1,0,0]=2 968 B9R1.33 NCCc1scnc1C 1P00J3UB [0,1,0,0,0,0|1,0,0]=2 969 B9R1.33 NCCc1scnc1C 1P019FER [0,1,0,0,0,0|1,0,0]=2 970 B9R1.33 NCCn1cc[nH]c1=O 1P01A3R8 [0,1,0,0,0,0|3,0,0]=4 971 B9R1.33 NCCn1ccnc1C 1P00GARW [0,1,0,0,0,0|3,0,0]=4 972 B9R1.33 NCCn1ccsc1=O 1P01B2YX [0,1,0,0,0,0|3,0,0]=4 973 B9R1.33 NCCn1ccsc1=O 1P01C5TY [0,1,0,0,0,0|3,0,0]=4 974 B9R1.33 NCCn1nccc1Br 1P0292ZZ [0,1,0,0,0,0|2,0,0]=3 975 B9R1.33 NCCn1nccc1C 1P01DTPG [0,1,0,0,0,0|2,0,0]=3 976 B9R1.33 NCCn1nncc1C 1P028R9H [0,1,0,0,0,0|3,0,0]=4 977 B9R1.33 NNCc1nccn1C 1P00HVVQ [0,1,0,0,0,0|3,0,0]=4 978 B9R1.33 O=C=Nc1sccc1Br 1P01C1LI [0,1,0,0,0,0|2,0,1]=4 979 B9R1.33 O=C=Nc1sccc1C 1P0221T1 [0,1,0,0,0,0|2,0,1]=4 980 B9R1.33 O=C=Nc1sccc1Cl 1P0289L3 [0,1,0,0,0,0|2,0,1]=4 981 B9R1.33 O=CCc1sccc1C 1P01EMO8 [0,1,0,0,0,0|1,0,1]=3 982 B9R1.33 OCCc1c(Br)cn[nH]1 1P028RD6 [0,1,0,0,0,0|3,0,0]=4 983 B9R1.33 OCCc1cccn1C 1P00ELFX [0,1,0,0,0,0|2,0,0]=3 984 B9R1.33 OCCc1ccsc1Cl 1P0290SL [0,1,0,0,0,0|3,0,0]=4 985 B9R1.33 OCCc1nccn1C 1P00B76R [0,1,0,0,0,0|3,0,0]=4 986 B9R1.33 OCCc1sccc1Br 1P009JN1 [0,1,0,0,0,0|1,0,0]=2 987 B9R1.33 OCCc1sccc1C 1P01DW6N [0,1,0,0,0,0|1,0,0]=2 988 B9R1.33 OCCc1sncc1Br 1P028UYU [0,1,0,0,0,0|2,0,0]=3 989 B9R1.33 OCCn1nccc1N 1P003MSY [0,1,0,0,0,0|3,0,0]=4 990 B9R1.33 ON=Cc1sccc1Br 1P01C24D [0,1,0,0,0,0|2,0,1]=4 991 B7R0.1 CCC=CC=CC=O 1P00E9KG [0,0,1,0,0,0|1,1,1]=4 992 B7R0.1 CCCC=CCCN 1P028EP1 [0,0,1,0,0,0|1,0,2]=4 993 B7R0.1 CCCC\C=C\C=O 1P002H9Q [0,0,1,0,0,0|1,1,1]=4 994 B7R0.1 CCCSSCC=C 1P003O6L [0,0,1,0,0,0|2,0,1]=4 995 B7R0.1 CC\C=C\C=C\C=O 1P003VBB [0,0,1,0,0,0|1,1,1]=4 996 B7R0.1 NCCCCCC=C 1P01BBBF [0,0,1,0,0,0|1,0,2]=4 997 B7R0.1 NCCCOCC=C 1P01B6R6 [0,0,1,0,0,0|0,1,2]=4 998 B7R0.1 NCCOCCC=C 1P01A3AG [0,0,1,0,0,0|2,0,1]=4 999 B7R0.1 NCCSCCC=C 1P01B5I1 [0,0,1,0,0,0|2,0,1]=4 1000 B9R2.2 C1CC1c2[nH]cnc2 1P00IGAT [0,0,0,1,0,0|3,0,0]=4 1001 B9R2.2 C1CC1c2cc[nH]n2 1P0001GU [0,0,0,1,0,0|3,0,0]=4 1002 B9R2.2 C1CC1c2ccn[nH]2 1P003N6C [0,0,0,1,0,0|3,0,0]=4 1003 B9R2.2 C1CC1c2ncoc2 1P01B5RR [0,0,0,1,0,0|3,0,0]=4 1004 B9R2.2 C1CC1c2ncsc2 1P003LQO [0,0,0,1,0,0|3,0,0]=4 1005 B9R2.2 C1CC1c2ocnc2 1P01B6Z7 [0,0,0,1,0,0|2,1,0]=4 1006 B9R2.2 C1CC1c2scnc2 1P027TX6 [0,0,0,1,0,0|2,0,0]=3 1007 B9R2.2 c1cnc([nH]1)C2CC2 1P0033QT [0,0,0,1,0,0|3,0,0]=4 1008 B9R2.2 c1cnn(c1)C2CC2 1P000GUI [0,0,0,1,0,0|3,0,0]=4 1009 B9R2.2 c1cnn(c1)C2CC2 1P027YLP [0,0,0,1,0,0|3,0,0]=4 1010 B9R2.2 c1coc(c1)C2CC2 1P01C3DJ [0,0,0,1,0,0|1,1,0]=3 1011 B9R2.2 c1coc(n1)C2CC2 1P01BWAC [0,0,0,1,0,0|2,1,0]=4 1012 B9R2.2 c1csc(c1)C2CC2 1P002YYV [0,0,0,1,0,0|1,0,0]=2 1013 B9R2.2 c1csc(n1)C2CC2 1P01B691 [0,0,0,1,0,0|2,0,0]=3 1014 B9R2.2 c1occ(c1)C2CC2 1P01DW54 [0,0,0,1,0,0|3,0,0]=4 1015 B9R2.2 c1scc(c1)C2CC2 1P01DWRY [0,0,0,1,0,0|3,0,0]=4 1016 B9R2.2 c1scc(c1)C2CO2 1P005LY2 [0,0,0,1,0,0|3,0,0]=4 1017 B9R2.3 C1CNc2n1ccn2 1P0064J6 [0,0,0,1,0,0|3,0,0]=4 1018 B9R2.3 C1CNc2n1ncc2 1P006L8O [0,0,0,1,0,0|2,0,0]=3 1019 B9R2.3 C1Cc2c(C1)c[nH]c2 1P028OGU [0,0,0,1,0,0|3,0,0]=4 1020 B9R2.3 C1Cc2c(C1)cn[nH]2 1P003E29 [0,0,0,1,0,0|3,0,0]=4 1021 B9R2.3 C1Cc2c(C1)cn[nH]2 1P00J2JE [0,0,0,1,0,0|3,0,0]=4 1022 B9R2.3 C1Cc2c(C1)nc[nH]2 1P00HAT4 [0,0,0,1,0,0|3,0,0]=4 1023 B9R2.3 C1Cc2c(C1)ncs2 1P00EGBX [0,0,0,1,0,0|2,0,0]=3 1024 B9R2.3 C1Cn2c(C1)ccn2 1P0084OX [0,0,0,1,0,0|3,0,0]=4 1025 B9R2.3 C1Cn2c(C1)cnc2 1P01B7L6 [0,0,0,1,0,0|3,0,0]=4 1026 B9R2.3 C1Cn2c(C1)ncc2 1P00ED6Y [0,0,0,1,0,0|3,0,0]=4 1027 B9R2.3 N1Cc2c(C1)ncs2 1P00HXCR [0,0,0,1,0,0|3,0,0]=4 1028 B9R2.3 N1Cc2c(C1)ncs2 1P01XA1V [0,0,0,1,0,0|3,0,0]=4 1029 B9R2.3 c1cc2c(o1)ccs2 1P028YSQ [0,0,0,1,0,0|1,0,2]=4 1030 B9R2.3 c1cc2c(s1)ccs2 1P002QYA [0,0,0,1,0,0|1,0,2]=4 1031 B9R2.3 c1cc2c(s1)scc2 1P002QLP [0,0,0,1,0,0|2,0,1]=4 1032 B9R2.3 c1sc2c(c1)cc[nH]2 1P00I58I [0,0,0,1,0,0|2,0,1]=4 1033 B9R2.3 s1cc2c(c1)ccs2 1P002QLT [0,0,0,1,0,0|2,0,1]=4 1034 B9R2.39 NC1CC2OC1C=C2 1P01EMCP [0,0,0,1,0,0|0,1,2]=4 1035 B9R2.39 N[C@@H]1C[C@H]2C[C@@H]1C=C2 1P028FXC [0,0,0,1,0,0|1,0,2]=4 1036 B9R1.8 BrCCc1ccccc1 1P003EKU [0,0,0,0,0,1|2,0,0]=3 1037 B9R1.8 BrCCc1ccccn1 1P0033B6 [0,0,0,0,0,1|2,0,0]=3 1038 B9R1.8 BrCCc1cccnc1 1P00CJF9 [0,0,0,0,0,1|2,0,0]=3 1039 B9R1.8 BrCCc1ccncc1 1P01BGQT [0,0,0,0,0,1|2,0,0]=3 1040 B9R1.8 BrCCc1cnccn1 1P01DYXQ [0,0,0,0,0,1|2,0,0]=3 1041 B9R1.8 C(c1cccnn1)C#N 1P00CES6 [0,0,0,0,0,1|1,0,2]=4 1042 B9R1.8 C(c1cnccn1)C#N 1P00DJ1W [0,0,0,0,0,1|1,0,2]=4 1043 B9R1.8 C=CCc1ccccc1 1P003O6X [0,0,0,0,0,1|2,0,1]=4 1044 B9R1.8 C=CCc1cccnc1 1P005DFA [0,0,0,0,0,1|2,0,1]=4 1045 B9R1.8 CCC[n+]1ccccc1 1P002N7W [0,0,0,0,0,1|3,0,0]=4 1046 B9R1.8 CCCc1ccccc1 1P003UGP [0,0,0,0,0,1|2,0,0]=3 1047 B9R1.8 CCCc1ccccn1 1P003IDJ [0,0,0,0,0,1|2,0,0]=3 1048 B9R1.8 CCCc1cccnc1 1P00DG48 [0,0,0,0,0,1|2,0,0]=3 1049 B9R1.8 CCCc1cccnn1 1P01ANOM [0,0,0,0,0,1|2,0,0]=3 1050 B9R1.8 CCCc1ccncc1 1P003MH0 [0,0,0,0,0,1|2,0,0]=3 1051 B9R1.8 CCCc1cnccn1 1P003BQC [0,0,0,0,0,1|2,0,0]=3 1052 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [0,0,0,0,0,1|3,0,0]=4 1053 B9R1.8 CCNc1ccccc1 1P0035UD [0,0,0,0,0,1|3,0,0]=4 1054 B9R1.8 CCNc1ccccn1 1P003FIU [0,0,0,0,0,1|3,0,0]=4 1055 B9R1.8 CCNc1cccnc1 1P00CN8W [0,0,0,0,0,1|3,0,0]=4 1056 B9R1.8 CCNc1ccncc1 1P00I7EH [0,0,0,0,0,1|3,0,0]=4 1057 B9R1.8 CCNc1cnccn1 1P00F7WN [0,0,0,0,0,1|3,0,0]=4 1058 B9R1.8 CCNc1ncccn1 1P00FGHQ [0,0,0,0,0,1|3,0,0]=4 1059 B9R1.8 CCOc1ccccc1 1P003U4U [0,0,0,0,0,1|3,0,0]=4 1060 B9R1.8 CCOc1ccccn1 1P001L8A [0,0,0,0,0,1|3,0,0]=4 1061 B9R1.8 CCOc1cccnc1 1P00ANFG [0,0,0,0,0,1|3,0,0]=4 1062 B9R1.8 CCOc1cccnn1 1P003HNA [0,0,0,0,0,1|3,0,0]=4 1063 B9R1.8 CCOc1ccncc1 1P00C0Z1 [0,0,0,0,0,1|3,0,0]=4 1064 B9R1.8 CCSc1ccccc1 1P003QX8 [0,0,0,0,0,1|3,0,0]=4 1065 B9R1.8 CCSc1ccccn1 1P002EQQ [0,0,0,0,0,1|3,0,0]=4 1066 B9R1.8 CNCc1ccccc1 1P0035T0 [0,0,0,0,0,1|3,0,0]=4 1067 B9R1.8 CNCc1ccccn1 1P002L6V [0,0,0,0,0,1|3,0,0]=4 1068 B9R1.8 CNCc1ccccn1 1P00H9TS [0,0,0,0,0,1|3,0,0]=4 1069 B9R1.8 CNCc1cccnc1 1P003IN0 [0,0,0,0,0,1|3,0,0]=4 1070 B9R1.8 CNCc1cccnc1 1P00JLQD [0,0,0,0,0,1|3,0,0]=4 1071 B9R1.8 CNCc1cccnn1 1P01B717 [0,0,0,0,0,1|3,0,0]=4 1072 B9R1.8 CNCc1ccncc1 1P003TOO [0,0,0,0,0,1|3,0,0]=4 1073 B9R1.8 CNCc1ccncc1 1P009DU1 [0,0,0,0,0,1|3,0,0]=4 1074 B9R1.8 CNCc1ccncn1 1P00J3UF [0,0,0,0,0,1|3,0,0]=4 1075 B9R1.8 CNCc1cnccn1 1P0081AR [0,0,0,0,0,1|3,0,0]=4 1076 B9R1.8 CNCc1ncccn1 1P007VAV [0,0,0,0,0,1|3,0,0]=4 1077 B9R1.8 CNCc1ncccn1 1P00ILX1 [0,0,0,0,0,1|3,0,0]=4 1078 B9R1.8 CNCc1ncccn1 1P01DIF5 [0,0,0,0,0,1|3,0,0]=4 1079 B9R1.8 COCc1ccccc1 1P003OL0 [0,0,0,0,0,1|3,0,0]=4 1080 B9R1.8 COCc1ccccn1 1P002O7L [0,0,0,0,0,1|3,0,0]=4 1081 B9R1.8 COCc1ccncc1 1P00FGIA [0,0,0,0,0,1|3,0,0]=4 1082 B9R1.8 CSCc1ccccc1 1P003OL2 [0,0,0,0,0,1|3,0,0]=4 1083 B9R1.8 CSCc1ccccn1 1P00K0NO [0,0,0,0,0,1|3,0,0]=4 1084 B9R1.8 CSCc1cccnc1 1P01DX2J [0,0,0,0,0,1|3,0,0]=4 1085 B9R1.8 ClCCc1ccccc1 1P0032NZ [0,0,0,0,0,1|2,0,0]=3 1086 B9R1.8 ClCCc1ccccn1 1P00AQES [0,0,0,0,0,1|2,0,0]=3 1087 B9R1.8 ClCCc1ccccn1 1P00CB7K [0,0,0,0,0,1|2,0,0]=3 1088 B9R1.8 ClCCc1cccnc1 1P00CLVG [0,0,0,0,0,1|2,0,0]=3 1089 B9R1.8 ClCCc1ccncc1 1P00G7HW [0,0,0,0,0,1|2,0,0]=3 1090 B9R1.8 ClCSc1ccccc1 1P003PAU [0,0,0,0,0,1|3,0,0]=4 1091 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [0,0,0,0,0,1|2,1,0]=4 1092 B9R1.8 ICCc1ccccc1 1P001ZMC [0,0,0,0,0,1|2,0,0]=3 1093 B9R1.8 ICCc1cccnc1 1P01APKH [0,0,0,0,0,1|2,0,0]=3 1094 B9R1.8 N#CCc1ccccn1 1P0033WF [0,0,0,0,0,1|1,0,2]=4 1095 B9R1.8 N#CCc1cccnc1 1P003FL3 [0,0,0,0,0,1|1,0,2]=4 1096 B9R1.8 N#CCc1ccncc1 1P000W7U [0,0,0,0,0,1|1,0,2]=4 1097 B9R1.8 N#CCc1ccncc1 1P003MHC [0,0,0,0,0,1|1,0,2]=4 1098 B9R1.8 N#CCc1ccncn1 1P00G7GU [0,0,0,0,0,1|1,0,2]=4 1099 B9R1.8 N#CCc1ncccn1 1P0037WC [0,0,0,0,0,1|1,0,2]=4 1100 B9R1.8 NCCC1=CCCCC1 1P0032P8 [0,0,0,0,0,1|1,0,2]=4 1101 B9R1.8 NCCC1=CCOCC1 1P01A2WW [0,0,0,0,0,1|1,0,2]=4 1102 B9R1.8 NCCC1CCC=CC1 1P00D6VD [0,0,0,0,0,1|1,0,2]=4 1103 B9R1.8 NCCC1CCC=CC1 1P01EI7T [0,0,0,0,0,1|1,0,2]=4 1104 B9R1.8 NCCN1CCC=CC1 1P01BHFU [0,0,0,0,0,1|2,0,1]=4 1105 B9R1.8 NCCN1CCC=CC1 1P01BHHG [0,0,0,0,0,1|2,0,1]=4 1106 B9R1.8 NCC[C@H]1CCC=CC1 1P027VP1 [0,0,0,0,0,1|1,0,2]=4 1107 B9R1.8 NCCc1ccccc1 1P001OVX [0,0,0,0,0,1|1,0,0]=2 1108 B9R1.8 NCCc1ccccc1 1P00AL3F [0,0,0,0,0,1|1,0,0]=2 1109 B9R1.8 NCCc1ccccn1 1P0033BC [0,0,0,0,0,1|1,0,0]=2 1110 B9R1.8 NCCc1cccnc1 1P0031LS [0,0,0,0,0,1|1,0,0]=2 1111 B9R1.8 NCCc1cccnc1 1P007RI3 [0,0,0,0,0,1|1,0,0]=2 1112 B9R1.8 NCCc1cccnc1 1P00G4HF [0,0,0,0,0,1|1,0,0]=2 1113 B9R1.8 NCCc1ccncc1 1P0011CE [0,0,0,0,0,1|1,0,0]=2 1114 B9R1.8 NCCc1ccncc1 1P00EB7D [0,0,0,0,0,1|1,0,0]=2 1115 B9R1.8 NCCc1ccncn1 1P00G8NQ [0,0,0,0,0,1|1,0,0]=2 1116 B9R1.8 NCCc1ccnnc1 1P01FJWH [0,0,0,0,0,1|2,0,0]=3 1117 B9R1.8 NCCc1cnccn1 1P00D8UG [0,0,0,0,0,1|1,0,0]=2 1118 B9R1.8 NCCc1cnccn1 1P00HZ0H [0,0,0,0,0,1|1,0,0]=2 1119 B9R1.8 NCCc1cncnc1 1P00G7HI [0,0,0,0,0,1|2,0,0]=3 1120 B9R1.8 NCCc1cncnc1 1P01B7EM [0,0,0,0,0,1|2,0,0]=3 1121 B9R1.8 NCCc1ncccn1 1P00IKQC [0,0,0,0,0,1|1,0,0]=2 1122 B9R1.8 NNCc1ccccc1 1P002AS6 [0,0,0,0,0,1|2,0,0]=3 1123 B9R1.8 NNCc1ccccc1 1P003OLM [0,0,0,0,0,1|2,0,0]=3 1124 B9R1.8 NNCc1ccccc1 1P00VUSV [0,0,0,0,0,1|2,0,0]=3 1125 B9R1.8 NNCc1ccccn1 1P00BJY5 [0,0,0,0,0,1|2,0,0]=3 1126 B9R1.8 NNCc1ccccn1 1P00IG9V [0,0,0,0,0,1|2,0,0]=3 1127 B9R1.8 NNCc1cccnc1 1P0033XM [0,0,0,0,0,1|2,0,0]=3 1128 B9R1.8 NNCc1cccnc1 1P00EM3P [0,0,0,0,0,1|2,0,0]=3 1129 B9R1.8 NNCc1cccnc1 1P00FT0X [0,0,0,0,0,1|2,0,0]=3 1130 B9R1.8 NNCc1ccncc1 1P00GVVL [0,0,0,0,0,1|2,0,0]=3 1131 B9R1.8 NNCc1cnccn1 1P0080ZM [0,0,0,0,0,1|2,0,0]=3 1132 B9R1.8 NNCc1cnccn1 1P00H0K1 [0,0,0,0,0,1|2,0,0]=3 1133 B9R1.8 NNCc1cncnc1 1P00HX2E [0,0,0,0,0,1|3,0,0]=4 1134 B9R1.8 NOCc1ccccc1 1P0035W0 [0,0,0,0,0,1|2,0,0]=3 1135 B9R1.8 NOCc1ccccc1 1P003TWF [0,0,0,0,0,1|2,0,0]=3 1136 B9R1.8 NOCc1ccccn1 1P01C2PM [0,0,0,0,0,1|2,0,0]=3 1137 B9R1.8 NOCc1cccnc1 1P00I7X0 [0,0,0,0,0,1|2,0,0]=3 1138 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [0,0,0,0,0,1|2,0,1]=4 1139 B9R1.8 O=CCc1ccccc1 1P00170M [0,0,0,0,0,1|2,0,1]=4 1140 B9R1.8 OCCc1ccccc1 1P0033W3 [0,0,0,0,0,1|2,0,0]=3 1141 B9R1.8 OCCc1ccccn1 1P0038HY [0,0,0,0,0,1|2,0,0]=3 1142 B9R1.8 OCCc1cccnc1 1P003FB1 [0,0,0,0,0,1|2,0,0]=3 1143 B9R1.8 OCCc1ccncc1 1P003FL5 [0,0,0,0,0,1|2,0,0]=3 1144 B9R1.8 OCCc1ccncc1 1P00CHZZ [0,0,0,0,0,1|2,0,0]=3 1145 B9R1.8 OCCc1ccncn1 1P005N7W [0,0,0,0,0,1|2,0,0]=3 1146 B9R1.8 OCCc1cnccn1 1P003F8L [0,0,0,0,0,1|2,0,0]=3 1147 B9R1.8 OCCc1cncnc1 1P008CL3 [0,0,0,0,0,1|3,0,0]=4 1148 B9R1.8 OCCc1ncccn1 1P000AX7 [0,0,0,0,0,1|2,0,0]=3 1149 B9R1.8 ONCc1ccccc1 1P002ZBQ [0,0,0,0,0,1|3,0,0]=4 1150 B9R1.8 ONCc1ccccc1 1P003920 [0,0,0,0,0,1|3,0,0]=4 1151 B9R1.8 SCCc1ccccc1 1P00DCX2 [0,0,0,0,0,1|2,0,0]=3 1152 B9R1.8 SCCc1ccccn1 1P0029Y7 [0,0,0,0,0,1|2,0,0]=3 1153 B9R1.8 SCCc1ccncc1 1P003MH7 [0,0,0,0,0,1|2,0,0]=3 1154 B9R1.8 SCCc1cnccn1 1P003C4B [0,0,0,0,0,1|2,0,0]=3 1155 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [0,0,0,0,0,1|3,0,0]=4 1156 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [0,0,0,0,0,1|3,0,0]=4 1157 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [0,0,0,0,0,1|3,0,0]=4 1158 B6R0.6 CC=C=CCCN 1P028E11 [1,0,1,0,0,0|0,0,2]=4 1159 B6R0.6 CC=CC=CCO 1P003VBC [1,0,1,0,0,0|2,0,0]=4 1160 B6R0.6 CCCC=CC=O 1P003VD0 [1,0,1,0,0,0|0,1,1]=4 1161 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,0,1,0,0,0|0,1,1]=4 1162 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,0,1,0,0,0|1,0,0]=3 1163 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,0,1,0,0,0|2,0,0]=4 1164 B6R0.6 C\C=C\CCCN 1P023ZOR [1,0,1,0,0,0|0,0,2]=4 1165 B6R0.6 NCCCCC=C 1P007HPO [1,0,1,0,0,0|0,0,2]=4 1166 B6R0.6 NCCCOC=C 1P00FHY2 [1,0,1,0,0,0|0,1,1]=4 1167 B6R0.6 NCCOCC=C 1P01A5ZW [1,0,1,0,0,0|0,1,1]=4 1168 B6R0.6 NCCOCC=C 1P01B763 [1,0,1,0,0,0|0,1,1]=4 1169 B6R0.6 NCCSCC=C 1P01A68W [1,0,1,0,0,0|0,0,1]=3 1170 B6R0.6 NCCSCC=C 1P01A836 [1,0,1,0,0,0|0,0,1]=3 1171 B6R0.6 OCC\C=C\C=C 1P005YFP [1,0,1,0,0,0|1,0,0]=3 1172 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,0,1,0,0,0|2,0,0]=4 1173 B6R0.1 CC(C=C)CCN 1P028CGJ [1,0,1,0,0,0|0,0,2]=4 1174 B6R0.1 CC=CC(=O)CC 1P002QI6 [1,0,1,0,0,0|0,1,1]=4 1175 B6R0.1 CCC(=O)\C=C\Cl 1P00ELWV [1,0,1,0,0,0|1,1,0]=4 1176 B6R0.1 CCCC(=O)C=C 1P001TZV [1,0,1,0,0,0|1,1,0]=4 1177 B6R0.1 C\C=C\C(=O)CC 1P00DT54 [1,0,1,0,0,0|0,1,1]=4 1178 B6R0.1 NCCC(=C)CO 1P01BKU7 [1,0,1,0,0,0|1,0,1]=4 1179 B6R0.1 NCCC(=C)CO 1P028SA0 [1,0,1,0,0,0|1,0,1]=4 1180 B6R1.2 Brc1cccs1 1P0001YI [2,0,0,0,0,0|1,0,0]=3 1181 B6R1.2 Brc1ccns1 1P003847 [2,0,0,0,0,0|2,0,0]=4 1182 B6R1.2 Brc1cncs1 1P00309V [2,0,0,0,0,0|2,0,0]=4 1183 B6R1.2 Brc1nccs1 1P00309X [2,0,0,0,0,0|2,0,0]=4 1184 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [2,0,0,0,0,0|1,0,1]=4 1185 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [2,0,0,0,0,0|1,0,1]=4 1186 B6R1.2 Cc1[n-]ccn1 1P00EFKI [2,0,0,0,0,0|2,0,0]=4 1187 B6R1.2 Cc1c[nH]cc1 1P00347O [2,0,0,0,0,0|2,0,0]=4 1188 B6R1.2 Cc1c[nH]cn1 1P0034KA [2,0,0,0,0,0|2,0,0]=4 1189 B6R1.2 Cc1cc[nH]n1 1P001L8I [2,0,0,0,0,0|2,0,0]=4 1190 B6R1.2 Cc1ccc[nH]1 1P0036CQ [2,0,0,0,0,0|1,0,0]=3 1191 B6R1.2 Cc1ccco1 1P003I5W [2,0,0,0,0,0|0,1,0]=3 1192 B6R1.2 Cc1ccn[nH]1 1P00GV5F [2,0,0,0,0,0|2,0,0]=4 1193 B6R1.2 Cc1ccn[nH]1 1P00HFKT [2,0,0,0,0,0|2,0,0]=4 1194 B6R1.2 Cc1ccno1 1P0034RJ [2,0,0,0,0,0|1,1,0]=4 1195 B6R1.2 Cc1ccns1 1P00FD3O [2,0,0,0,0,0|1,0,0]=3 1196 B6R1.2 Cc1ccon1 1P0031XW [2,0,0,0,0,0|2,0,0]=4 1197 B6R1.2 Cc1cnc[nH]1 1P002MX4 [2,0,0,0,0,0|2,0,0]=4 1198 B6R1.2 Cc1cnco1 1P0037GR [2,0,0,0,0,0|1,1,0]=4 1199 B6R1.2 Cc1cncs1 1P003ND8 [2,0,0,0,0,0|1,0,0]=3 1200 B6R1.2 Cc1cocc1 1P003K7Y [2,0,0,0,0,0|2,0,0]=4 1201 B6R1.2 Cc1cocn1 1P00376B [2,0,0,0,0,0|2,0,0]=4 1202 B6R1.2 Cc1cscc1 1P0037J4 [2,0,0,0,0,0|2,0,0]=4 1203 B6R1.2 Cc1cscn1 1P0034KU [2,0,0,0,0,0|2,0,0]=4 1204 B6R1.2 Cc1ncc[nH]1 1P0033UW [2,0,0,0,0,0|2,0,0]=4 1205 B6R1.2 Cc1ncc[nH]1 1P01FPHT [2,0,0,0,0,0|2,0,0]=4 1206 B6R1.2 Cc1ncco1 1P002MBP [2,0,0,0,0,0|1,1,0]=4 1207 B6R1.2 Cc1nccs1 1P003I7G [2,0,0,0,0,0|1,0,0]=3 1208 B6R1.2 Clc1cccs1 1P0033WN [2,0,0,0,0,0|1,0,0]=3 1209 B6R1.2 Clc1cncs1 1P01B60F [2,0,0,0,0,0|2,0,0]=4 1210 B6R1.2 Clc1nccs1 1P00309Y [2,0,0,0,0,0|2,0,0]=4 1211 B6R1.2 Cn1cccc1 1P003TMI [2,0,0,0,0,0|2,0,0]=4 1212 B6R1.2 Cn1cccn1 1P003EXX [2,0,0,0,0,0|2,0,0]=4 1213 B6R1.2 Fc1cccs1 1P00BYBL [2,0,0,0,0,0|1,0,0]=3 1214 B6R1.2 Fc1nccs1 1P00BI23 [2,0,0,0,0,0|2,0,0]=4 1215 B6R1.2 Ic1cccs1 1P0033TX [2,0,0,0,0,0|1,0,0]=3 1216 B6R1.2 Ic1ccns1 1P00J3CN [2,0,0,0,0,0|2,0,0]=4 1217 B6R1.2 Ic1cncs1 1P009R22 [2,0,0,0,0,0|2,0,0]=4 1218 B6R1.2 Ic1nccs1 1P00309W [2,0,0,0,0,0|2,0,0]=4 1219 B6R1.2 N=c1scc[nH]1 1P00IK6V [2,0,0,0,0,0|1,0,1]=4 1220 B6R1.2 N[C-]1C=CC=C1 1P000XDB [2,0,0,0,0,0|1,0,1]=4 1221 B6R1.2 Nc1c[nH]cc1 1P003AMF [2,0,0,0,0,0|2,0,0]=4 1222 B6R1.2 Nc1ccn[nH]1 1P00I0ST [2,0,0,0,0,0|2,0,0]=4 1223 B6R1.2 Nc1ccno1 1P001ES2 [2,0,0,0,0,0|1,1,0]=4 1224 B6R1.2 Nc1ccns1 1P003AW8 [2,0,0,0,0,0|1,0,0]=3 1225 B6R1.2 Nc1ccon1 1P0020K7 [2,0,0,0,0,0|2,0,0]=4 1226 B6R1.2 Nc1cnc[nH]1 1P000S6U [2,0,0,0,0,0|2,0,0]=4 1227 B6R1.2 Nc1cncs1 1P0025NE [2,0,0,0,0,0|1,0,0]=3 1228 B6R1.2 Nc1cncs1 1P0034NP [2,0,0,0,0,0|1,0,0]=3 1229 B6R1.2 Nc1cnns1 1P0034N4 [2,0,0,0,0,0|2,0,0]=4 1230 B6R1.2 Nc1cscc1 1P00BFOP [2,0,0,0,0,0|2,0,0]=4 1231 B6R1.2 Nc1cscn1 1P0025NF [2,0,0,0,0,0|2,0,0]=4 1232 B6R1.2 Nc1nc[nH]c1 1P0039YW [2,0,0,0,0,0|2,0,0]=4 1233 B6R1.2 Nc1ncc[nH]1 1P001KWS [2,0,0,0,0,0|2,0,0]=4 1234 B6R1.2 Nc1ncc[nH]1 1P00338E [2,0,0,0,0,0|2,0,0]=4 1235 B6R1.2 Nc1ncco1 1P0033L1 [2,0,0,0,0,0|1,1,0]=4 1236 B6R1.2 Nc1nccs1 1P00IBBT [2,0,0,0,0,0|1,0,0]=3 1237 B6R1.2 Nc1ncns1 1P001RDR [2,0,0,0,0,0|2,0,0]=4 1238 B6R1.2 Nc1ncns1 1P003DRQ [2,0,0,0,0,0|2,0,0]=4 1239 B6R1.2 Nc1ncns1 1P008QCV [2,0,0,0,0,0|2,0,0]=4 1240 B6R1.2 Nc1nncs1 1P0033JF [2,0,0,0,0,0|2,0,0]=4 1241 B6R1.2 Nc1scnc1 1P01C520 [2,0,0,0,0,0|1,0,0]=3 1242 B6R1.2 Nn1cccc1 1P00G2U0 [2,0,0,0,0,0|2,0,0]=4 1243 B6R1.2 Nn1cccn1 1P00CL92 [2,0,0,0,0,0|2,0,0]=4 1244 B6R1.2 O=c1scc[nH]1 1P00F3MD [2,0,0,0,0,0|2,0,0]=4 1245 B6R1.2 Oc1cccs1 1P007WJZ [2,0,0,0,0,0|1,0,0]=3 1246 B6R1.2 Oc1nccs1 1P00G7GQ [2,0,0,0,0,0|2,0,0]=4 1247 B6R1.2 S=c1ccss1 1P01E558 [2,0,0,0,0,0|2,0,0]=4 1248 B6R1.2 S=c1scc[nH]1 1P00E939 [2,0,0,0,0,0|2,0,0]=4 1249 B6R1.2 S=c1sccs1 1P003BGZ [2,0,0,0,0,0|2,0,0]=4 1250 B6R1.2 Sc1cccs1 1P003IEZ [2,0,0,0,0,0|1,0,0]=3 1251 B6R1.2 Sc1nccs1 1P00IDP6 [2,0,0,0,0,0|2,0,0]=4 1252 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [2,0,0,0,0,0|2,0,0]=4 1253 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [2,0,0,0,0,0|2,0,0]=4 1254 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [2,0,0,0,0,0|2,0,0]=4 1255 B8R0.4 CCCC=CC=CCO 1P0069DV [0,1,1,0,0,0|1,1,0]=4 1256 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [0,1,1,0,0,0|1,1,0]=4 1257 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [0,1,1,0,0,0|1,1,0]=4 1258 B8R0.6 NCCCOC(=O)C=C 1P01BRGG [0,1,1,0,0,0|0,1,1]=4 1259 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [0,1,1,0,0,0|0,1,1]=4 1260 B8R1.1 BrCc1ccc(s1)Br 1P00EE3T [1,1,0,0,0,0|1,0,0]=3 1261 B8R1.1 BrCc1cnc(s1)Br 1P00105F [1,1,0,0,0,0|2,0,0]=4 1262 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [1,1,0,0,0,0|2,0,0]=4 1263 B8R1.1 BrCc1scc(c1)Br 1P00GAGV [1,1,0,0,0,0|1,0,0]=3 1264 B8R1.1 BrCc1scc(n1)Br 1P02843G [1,1,0,0,0,0|2,0,0]=4 1265 B8R1.1 Brc1cc(sc1)C#C 1P006EAL [1,1,0,0,0,0|0,0,2]=4 1266 B8R1.1 Brc1cc(sc1)C#N 1P002H1E [1,1,0,0,0,0|0,0,2]=4 1267 B8R1.1 Brc1cc(sc1)C=O 1P002H1J [1,1,0,0,0,0|1,0,1]=4 1268 B8R1.1 Brc1ccc(s1)C#C 1P00853J [1,1,0,0,0,0|0,0,2]=4 1269 B8R1.1 Brc1ccc(s1)C#N 1P003N1T [1,1,0,0,0,0|0,0,2]=4 1270 B8R1.1 Brc1ccc(s1)C=O 1P0038BE [1,1,0,0,0,0|1,0,1]=4 1271 B8R1.1 CCC1=CC(=O)CC1 1P00EUXA [1,1,0,0,0,0|1,0,1]=4 1272 B8R1.1 CCc1c[nH]c(=O)[nH]1 1P004V42 [1,1,0,0,0,0|2,0,0]=4 1273 B8R1.1 CCc1c[nH]c(n1)N 1P01K4BQ [1,1,0,0,0,0|2,0,0]=4 1274 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [1,1,0,0,0,0|2,0,0]=4 1275 B8R1.1 CCc1cc(=O)[nH]o1 1P00013T [1,1,0,0,0,0|1,1,0]=4 1276 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [1,1,0,0,0,0|0,0,0]=2 1277 B8R1.1 CCc1cc(n[nH]1)N 1P002F0M [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.1 CCc1cc(n[nH]1)O 1P00CN5C [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.1 CCc1cc(no1)N 1P002BCI [1,1,0,0,0,0|1,1,0]=4 1280 B8R1.1 CCc1cc(on1)Br 1P01DVPO [1,1,0,0,0,0|2,0,0]=4 1281 B8R1.1 CCc1cc(on1)Cl 1P01DVPE [1,1,0,0,0,0|2,0,0]=4 1282 B8R1.1 CCc1cc(on1)N 1P00G4UP [1,1,0,0,0,0|2,0,0]=4 1283 B8R1.1 CCc1cc(on1)O 1P01XCDU [1,1,0,0,0,0|2,0,0]=4 1284 B8R1.1 CCc1ccc(o1)C 1P0039DO [1,1,0,0,0,0|0,1,0]=3 1285 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [1,1,0,0,0,0|0,0,0]=2 1286 B8R1.1 CCc1ccc(s1)C 1P003HNV [1,1,0,0,0,0|0,0,0]=2 1287 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [1,1,0,0,0,0|0,0,0]=2 1288 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [1,1,0,0,0,0|0,0,0]=2 1289 B8R1.1 CCc1ccn(n1)C 1P00I66E [1,1,0,0,0,0|2,0,0]=4 1290 B8R1.1 CCc1cnc([nH]1)Br 1P0224G8 [1,1,0,0,0,0|2,0,0]=4 1291 B8R1.1 CCc1cnc(o1)Br 1P01BIV2 [1,1,0,0,0,0|1,1,0]=4 1292 B8R1.1 CCc1cnc(o1)Cl 1P028J9N [1,1,0,0,0,0|1,1,0]=4 1293 B8R1.1 CCc1cnc(o1)N 1P019YWP [1,1,0,0,0,0|1,1,0]=4 1294 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [1,1,0,0,0,0|1,0,0]=3 1295 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [1,1,0,0,0,0|1,0,0]=3 1296 B8R1.1 CCc1cnc(s1)N 1P0037QG [1,1,0,0,0,0|1,0,0]=3 1297 B8R1.1 CCc1cnc(s1)N 1P01CD9U [1,1,0,0,0,0|1,0,0]=3 1298 B8R1.1 CCc1coc(n1)Br 1P01BB5C [1,1,0,0,0,0|2,0,0]=4 1299 B8R1.1 CCc1coc(n1)I 1P02928W [1,1,0,0,0,0|2,0,0]=4 1300 B8R1.1 CCc1coc(n1)N 1P01B8TQ [1,1,0,0,0,0|2,0,0]=4 1301 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [1,1,0,0,0,0|2,0,0]=4 1302 B8R1.1 CCc1csc(=S)[nH]1 1P01ACVC [1,1,0,0,0,0|2,0,0]=4 1303 B8R1.1 CCc1csc(c1)C 1P0012TP [1,1,0,0,0,0|2,0,0]=4 1304 B8R1.1 CCc1csc(n1)Br 1P00GUYM [1,1,0,0,0,0|2,0,0]=4 1305 B8R1.1 CCc1csc(n1)Cl 1P00H739 [1,1,0,0,0,0|2,0,0]=4 1306 B8R1.1 CCc1csc(n1)F 1P01BTYJ [1,1,0,0,0,0|2,0,0]=4 1307 B8R1.1 CCc1csc(n1)N 1P00C90S [1,1,0,0,0,0|2,0,0]=4 1308 B8R1.1 CCc1csc(n1)N 1P00J3VY [1,1,0,0,0,0|2,0,0]=4 1309 B8R1.1 CCc1n[nH]c(=S)s1 1P0078UZ [1,1,0,0,0,0|2,0,0]=4 1310 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [1,1,0,0,0,0|1,0,0]=3 1311 B8R1.1 CCc1nc(ns1)N 1P01FJXL [1,1,0,0,0,0|2,0,0]=4 1312 B8R1.1 CCc1ncc([nH]1)Br 1P001DNI [1,1,0,0,0,0|2,0,0]=4 1313 B8R1.1 CCc1ncc([nH]1)C 1P003HNU [1,1,0,0,0,0|2,0,0]=4 1314 B8R1.1 CCc1ncc([nH]1)I 1P01DX7U [1,1,0,0,0,0|2,0,0]=4 1315 B8R1.1 CCc1ncc(o1)Br 1P01ELL1 [1,1,0,0,0,0|1,1,0]=4 1316 B8R1.1 CCc1ncn(c1)C 1P01C101 [1,1,0,0,0,0|2,0,0]=4 1317 B8R1.1 CCc1nnc(s1)Br 1P00EG7Z [1,1,0,0,0,0|2,0,0]=4 1318 B8R1.1 CCc1nnc(s1)Cl 1P005Q27 [1,1,0,0,0,0|2,0,0]=4 1319 B8R1.1 CCc1nnc(s1)I 1P01DVUL [1,1,0,0,0,0|2,0,0]=4 1320 B8R1.1 CCc1nnc(s1)N 1P001D5E [1,1,0,0,0,0|2,0,0]=4 1321 B8R1.1 CCc1nnc(s1)O 1P00HT7G [1,1,0,0,0,0|2,0,0]=4 1322 B8R1.1 CCc1scc(n1)C 1P001PGP [1,1,0,0,0,0|1,0,0]=3 1323 B8R1.1 CCn1cc(cn1)Br 1P003LBJ [1,1,0,0,0,0|2,0,0]=4 1324 B8R1.1 CCn1cc(cn1)I 1P00AMGK [1,1,0,0,0,0|2,0,0]=4 1325 B8R1.1 CCn1cc(cn1)N 1P0036S6 [1,1,0,0,0,0|2,0,0]=4 1326 B8R1.1 CCn1cc(cn1)N 1P00J3H6 [1,1,0,0,0,0|2,0,0]=4 1327 B8R1.1 CCn1cc(cn1)O 1P005AYJ [1,1,0,0,0,0|2,0,0]=4 1328 B8R1.1 CCn1cc(cn1)S 1P02895I [1,1,0,0,0,0|2,0,0]=4 1329 B8R1.1 CCn1ccc(n1)Br 1P009BLV [1,1,0,0,0,0|2,0,0]=4 1330 B8R1.1 CCn1ccc(n1)C 1P0030KV [1,1,0,0,0,0|2,0,0]=4 1331 B8R1.1 CCn1ccc(n1)C 1P01C0XS [1,1,0,0,0,0|2,0,0]=4 1332 B8R1.1 CCn1ccc(n1)Cl 1P01KZM4 [1,1,0,0,0,0|2,0,0]=4 1333 B8R1.1 CCn1ccc(n1)N 1P00D912 [1,1,0,0,0,0|2,0,0]=4 1334 B8R1.1 CCn1ccc(n1)O 1P01DT9N [1,1,0,0,0,0|2,0,0]=4 1335 B8R1.1 CCn1ncc(c1)C 1P01APCE [1,1,0,0,0,0|2,0,0]=4 1336 B8R1.1 CCn1ncc(c1)N 1P00J2DM [1,1,0,0,0,0|2,0,0]=4 1337 B8R1.1 CNc1nc(cs1)Br 1P0039U8 [1,1,0,0,0,0|2,0,0]=4 1338 B8R1.1 CNc1ncc(s1)Br 1P01C5SV [1,1,0,0,0,0|2,0,0]=4 1339 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [1,1,0,0,0,0|2,0,0]=4 1340 B8R1.1 CNc1ncc(s1)C 1P01FKWA [1,1,0,0,0,0|2,0,0]=4 1341 B8R1.1 CNc1ncc(s1)Cl 1P01AN5E [1,1,0,0,0,0|2,0,0]=4 1342 B8R1.1 CNc1scc(n1)C 1P007Q89 [1,1,0,0,0,0|2,0,0]=4 1343 B8R1.1 COc1ccc(s1)Br 1P003H6P [1,1,0,0,0,0|1,0,0]=3 1344 B8R1.1 COc1cnc(s1)C 1P00BXUC [1,1,0,0,0,0|2,0,0]=4 1345 B8R1.1 COc1cnc(s1)N 1P00EAWD [1,1,0,0,0,0|2,0,0]=4 1346 B8R1.1 COc1nc(cs1)Br 1P00C2ED [1,1,0,0,0,0|2,0,0]=4 1347 B8R1.1 COc1nc(cs1)I 1P01BK7C [1,1,0,0,0,0|2,0,0]=4 1348 B8R1.1 COc1ncc(s1)Br 1P00DE93 [1,1,0,0,0,0|2,0,0]=4 1349 B8R1.1 COc1ncc(s1)I 1P01ELXZ [1,1,0,0,0,0|2,0,0]=4 1350 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [1,1,0,0,0,0|2,0,0]=4 1351 B8R1.1 CSc1nc(cs1)Br 1P002A0P [1,1,0,0,0,0|2,0,0]=4 1352 B8R1.1 CSc1ncc(s1)Br 1P01UOVY [1,1,0,0,0,0|2,0,0]=4 1353 B8R1.1 Cc1cc([nH]n1)CN 1P00DDAT [1,1,0,0,0,0|2,0,0]=4 1354 B8R1.1 Cc1cc([nH]n1)CN 1P00J1L2 [1,1,0,0,0,0|2,0,0]=4 1355 B8R1.1 Cc1cc(no1)CN 1P007HB0 [1,1,0,0,0,0|2,0,0]=4 1356 B8R1.1 Cc1cc(no1)CN 1P008SBK [1,1,0,0,0,0|2,0,0]=4 1357 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [1,1,0,0,0,0|1,1,0]=4 1358 B8R1.1 Cc1cc(on1)CN 1P0039IC [1,1,0,0,0,0|1,1,0]=4 1359 B8R1.1 Cc1cc(on1)CN 1P00FGSG [1,1,0,0,0,0|1,1,0]=4 1360 B8R1.1 Cc1cc(sc1)C#N 1P00FEKB [1,1,0,0,0,0|0,0,2]=4 1361 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [1,1,0,0,0,0|1,0,1]=4 1362 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [1,1,0,0,0,0|0,0,0]=2 1363 B8R1.1 Cc1cc(sc1)CO 1P005M4K [1,1,0,0,0,0|1,0,0]=3 1364 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [1,1,0,0,0,0|2,0,0]=4 1365 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [1,1,0,0,0,0|1,0,0]=3 1366 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [1,1,0,0,0,0|2,0,0]=4 1367 B8R1.1 Cc1ccc(o1)CN 1P001CFL [1,1,0,0,0,0|0,1,0]=3 1368 B8R1.1 Cc1ccc(o1)CO 1P003NBO [1,1,0,0,0,0|1,1,0]=4 1369 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [1,1,0,0,0,0|1,1,0]=4 1370 B8R1.1 Cc1ccc(s1)C#C 1P0053L5 [1,1,0,0,0,0|0,0,2]=4 1371 B8R1.1 Cc1ccc(s1)C#N 1P006123 [1,1,0,0,0,0|0,0,2]=4 1372 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [1,1,0,0,0,0|1,0,1]=4 1373 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [1,1,0,0,0,0|1,0,0]=3 1374 B8R1.1 Cc1ccc(s1)CN 1P0085BO [1,1,0,0,0,0|0,0,0]=2 1375 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [1,1,0,0,0,0|0,0,0]=2 1376 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [1,1,0,0,0,0|1,0,0]=3 1377 B8R1.1 Cc1cnc(o1)CN 1P00ILCU [1,1,0,0,0,0|1,1,0]=4 1378 B8R1.1 Cc1cnc(o1)CN 1P00VSR9 [1,1,0,0,0,0|1,1,0]=4 1379 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [1,1,0,0,0,0|2,0,0]=4 1380 B8R1.1 Cc1cnc(s1)CO 1P00290Z [1,1,0,0,0,0|2,0,0]=4 1381 B8R1.1 Cc1csc(n1)CCl 1P006UMP [1,1,0,0,0,0|2,0,0]=4 1382 B8R1.1 Cc1csc(n1)CCl 1P00J206 [1,1,0,0,0,0|2,0,0]=4 1383 B8R1.1 Cc1csc(n1)CN 1P000PRK [1,1,0,0,0,0|1,0,0]=3 1384 B8R1.1 Cc1csc(n1)CN 1P00DBWW [1,1,0,0,0,0|1,0,0]=3 1385 B8R1.1 Cc1csc(n1)CO 1P0013UH [1,1,0,0,0,0|2,0,0]=4 1386 B8R1.1 Cc1csc(n1)CO 1P00J22S [1,1,0,0,0,0|2,0,0]=4 1387 B8R1.1 Cc1csc(n1)NN 1P001J5G [1,1,0,0,0,0|2,0,0]=4 1388 B8R1.1 Cc1nc(co1)CN 1P008SCE [1,1,0,0,0,0|2,0,0]=4 1389 B8R1.1 Cc1nc(co1)CN 1P021MU1 [1,1,0,0,0,0|2,0,0]=4 1390 B8R1.1 Cc1nc(cs1)CN 1P007GCS [1,1,0,0,0,0|2,0,0]=4 1391 B8R1.1 Cc1nc(cs1)CN 1P00932L [1,1,0,0,0,0|2,0,0]=4 1392 B8R1.1 Cc1nc(sn1)CN 1P028HP8 [1,1,0,0,0,0|2,0,0]=4 1393 B8R1.1 Cc1ncc(o1)CN 1P01C312 [1,1,0,0,0,0|1,1,0]=4 1394 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [1,1,0,0,0,0|2,0,0]=4 1395 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [1,1,0,0,0,0|2,0,0]=4 1396 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [1,1,0,0,0,0|2,0,0]=4 1397 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [1,1,0,0,0,0|2,0,0]=4 1398 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [1,1,0,0,0,0|1,0,0]=3 1399 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [1,1,0,0,0,0|1,0,0]=3 1400 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [1,1,0,0,0,0|2,0,0]=4 1401 B8R1.1 Cc1nnc(s1)CN 1P005BMI [1,1,0,0,0,0|2,0,0]=4 1402 B8R1.1 ClCc1cc(cs1)Br 1P00ACTT [1,1,0,0,0,0|1,0,0]=3 1403 B8R1.1 ClCc1ccc(s1)Br 1P019LJY [1,1,0,0,0,0|1,0,0]=3 1404 B8R1.1 ClCc1ccc(s1)Cl 1P003HF2 [1,1,0,0,0,0|1,0,0]=3 1405 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [1,1,0,0,0,0|2,0,0]=4 1406 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [1,1,0,0,0,0|2,0,0]=4 1407 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [1,1,0,0,0,0|2,0,0]=4 1408 B8R1.1 ClCc1scc(c1)Cl 1P023S65 [1,1,0,0,0,0|1,0,0]=3 1409 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [1,1,0,0,0,0|2,0,0]=4 1410 B8R1.1 Clc1cc(sc1)C#C 1P028WJC [1,1,0,0,0,0|0,0,2]=4 1411 B8R1.1 Clc1cc(sc1)C#N 1P006FHD [1,1,0,0,0,0|0,0,2]=4 1412 B8R1.1 Clc1cc(sc1)C=O 1P00EDRL [1,1,0,0,0,0|1,0,1]=4 1413 B8R1.1 Clc1cc(sc1)CBr 1P01EMCO [1,1,0,0,0,0|1,0,0]=3 1414 B8R1.1 Clc1ccc(s1)C#C 1P001CB3 [1,1,0,0,0,0|0,0,2]=4 1415 B8R1.1 Clc1ccc(s1)C#N 1P00DBVU [1,1,0,0,0,0|0,0,2]=4 1416 B8R1.1 Clc1ccc(s1)C=O 1P0034Q0 [1,1,0,0,0,0|1,0,1]=4 1417 B8R1.1 Clc1ccc(s1)CBr 1P019RZ1 [1,1,0,0,0,0|1,0,0]=3 1418 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [1,1,0,0,0,0|2,0,0]=4 1419 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [1,1,0,0,0,0|2,0,0]=4 1420 B8R1.1 Cn1cc(nc1)CN 1P001BKI [1,1,0,0,0,0|2,0,0]=4 1421 B8R1.1 Cn1cc(nc1)CN 1P006WSU [1,1,0,0,0,0|2,0,0]=4 1422 B8R1.1 Cn1ccc(n1)CN 1P0037JG [1,1,0,0,0,0|2,0,0]=4 1423 B8R1.1 Cn1ccc(n1)CN 1P008Y2B [1,1,0,0,0,0|2,0,0]=4 1424 B8R1.1 Fc1ccc(s1)C#N 1P00CJ8O [1,1,0,0,0,0|0,0,2]=4 1425 B8R1.1 Fc1ccc(s1)C=O 1P002ZHS [1,1,0,0,0,0|1,0,1]=4 1426 B8R1.1 Ic1cc(sc1)C=O 1P002H72 [1,1,0,0,0,0|1,0,1]=4 1427 B8R1.1 Ic1ccc(s1)C#N 1P002E5O [1,1,0,0,0,0|0,0,2]=4 1428 B8R1.1 NCc1[nH][nH]c(=O)c1 1P01C54F [1,1,0,0,0,0|2,0,0]=4 1429 B8R1.1 NCc1[nH]cc(n1)C 1P00G8P1 [1,1,0,0,0,0|2,0,0]=4 1430 B8R1.1 NCc1[nH]nc(c1)C 1P00HBXH [1,1,0,0,0,0|2,0,0]=4 1431 B8R1.1 NCc1c[nH]c(=O)[nH]1 1P01C51U [1,1,0,0,0,0|2,0,0]=4 1432 B8R1.1 NCc1cc(=O)[nH]o1 1P0023JB [1,1,0,0,0,0|1,1,0]=4 1433 B8R1.1 NCc1cc(=O)[nH]s1 1P00EF01 [1,1,0,0,0,0|1,0,0]=3 1434 B8R1.1 NCc1cc([nH]n1)F 1P01JVER [1,1,0,0,0,0|2,0,0]=4 1435 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [1,1,0,0,0,0|1,0,0]=3 1436 B8R1.1 NCc1cc(co1)Br 1P01KKNK [1,1,0,0,0,0|0,1,0]=3 1437 B8R1.1 NCc1cc(co1)Br 1P028RHQ [1,1,0,0,0,0|0,1,0]=3 1438 B8R1.1 NCc1cc(cs1)Br 1P000EAH [1,1,0,0,0,0|0,0,0]=2 1439 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [1,1,0,0,0,0|0,0,0]=2 1440 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [1,1,0,0,0,0|0,0,0]=2 1441 B8R1.1 NCc1cc(cs1)F 1P028FQL [1,1,0,0,0,0|0,0,0]=2 1442 B8R1.1 NCc1cc(cs1)I 1P028BGB [1,1,0,0,0,0|0,0,0]=2 1443 B8R1.1 NCc1cc(no1)Br 1P002URC [1,1,0,0,0,0|1,1,0]=4 1444 B8R1.1 NCc1cc(no1)Br 1P00GVCJ [1,1,0,0,0,0|1,1,0]=4 1445 B8R1.1 NCc1cc(no1)Cl 1P028MR2 [1,1,0,0,0,0|1,1,0]=4 1446 B8R1.1 NCc1cc(sn1)Br 1P027U8V [1,1,0,0,0,0|2,0,0]=4 1447 B8R1.1 NCc1ccc(o1)Br 1P002T5R [1,1,0,0,0,0|0,1,0]=3 1448 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [1,1,0,0,0,0|0,1,0]=3 1449 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [1,1,0,0,0,0|0,1,0]=3 1450 B8R1.1 NCc1ccc(s1)Br 1P0001JY [1,1,0,0,0,0|0,0,0]=2 1451 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [1,1,0,0,0,0|0,0,0]=2 1452 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [1,1,0,0,0,0|0,0,0]=2 1453 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [1,1,0,0,0,0|0,0,0]=2 1454 B8R1.1 NCc1ccc(s1)F 1P00CGEU [1,1,0,0,0,0|0,0,0]=2 1455 B8R1.1 NCc1ccc(s1)I 1P028DJT [1,1,0,0,0,0|0,0,0]=2 1456 B8R1.1 NCc1ccn(c1)C 1P002KA3 [1,1,0,0,0,0|2,0,0]=4 1457 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [1,1,0,0,0,0|1,0,0]=3 1458 B8R1.1 NCc1cnc(s1)Br 1P00105E [1,1,0,0,0,0|1,0,0]=3 1459 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [1,1,0,0,0,0|1,0,0]=3 1460 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [1,1,0,0,0,0|1,0,0]=3 1461 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [1,1,0,0,0,0|1,0,0]=3 1462 B8R1.1 NCc1cnc(s1)N 1P01EKLE [1,1,0,0,0,0|1,0,0]=3 1463 B8R1.1 NCc1coc(c1)C 1P01E7IU [1,1,0,0,0,0|2,0,0]=4 1464 B8R1.1 NCc1coc(n1)Cl 1P01ANLV [1,1,0,0,0,0|2,0,0]=4 1465 B8R1.1 NCc1csc(=O)[nH]1 1P01A0VR [1,1,0,0,0,0|2,0,0]=4 1466 B8R1.1 NCc1csc(c1)Br 1P0091TL [1,1,0,0,0,0|2,0,0]=4 1467 B8R1.1 NCc1csc(c1)Br 1P01A838 [1,1,0,0,0,0|2,0,0]=4 1468 B8R1.1 NCc1csc(c1)C 1P01APJ1 [1,1,0,0,0,0|2,0,0]=4 1469 B8R1.1 NCc1csc(c1)Cl 1P0099TB [1,1,0,0,0,0|2,0,0]=4 1470 B8R1.1 NCc1csc(n1)Br 1P027TAK [1,1,0,0,0,0|2,0,0]=4 1471 B8R1.1 NCc1csc(n1)C 1P00932M [1,1,0,0,0,0|2,0,0]=4 1472 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [1,1,0,0,0,0|2,0,0]=4 1473 B8R1.1 NCc1csc(n1)N 1P00J1OY [1,1,0,0,0,0|2,0,0]=4 1474 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [1,1,0,0,0,0|1,0,0]=3 1475 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [1,1,0,0,0,0|1,0,0]=3 1476 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [1,1,0,0,0,0|1,0,0]=3 1477 B8R1.1 NCc1ncc(s1)Br 1P001GXO [1,1,0,0,0,0|1,0,0]=3 1478 B8R1.1 NCc1ncc(s1)C 1P003FFM [1,1,0,0,0,0|1,0,0]=3 1479 B8R1.1 NCc1ncc(s1)Cl 1P00932P [1,1,0,0,0,0|1,0,0]=3 1480 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [1,1,0,0,0,0|1,0,0]=3 1481 B8R1.1 NCc1ncc(s1)I 1P02806H [1,1,0,0,0,0|1,0,0]=3 1482 B8R1.1 NCc1ncn(c1)C 1P002311 [1,1,0,0,0,0|2,0,0]=4 1483 B8R1.1 NCc1nnc(s1)N 1P00EEHT [1,1,0,0,0,0|2,0,0]=4 1484 B8R1.1 NCc1nnc(s1)S 1P028RV5 [1,1,0,0,0,0|2,0,0]=4 1485 B8R1.1 NCc1occ(n1)C 1P027X5U [1,1,0,0,0,0|1,1,0]=4 1486 B8R1.1 NCc1onc(c1)N 1P028C3Y [1,1,0,0,0,0|1,1,0]=4 1487 B8R1.1 NCc1scc(n1)Br 1P0282HW [1,1,0,0,0,0|1,0,0]=3 1488 B8R1.1 NCc1scc(n1)C 1P00J3IM [1,1,0,0,0,0|1,0,0]=3 1489 B8R1.1 NCc1snc(c1)O 1P027VX8 [1,1,0,0,0,0|1,0,0]=3 1490 B8R1.1 NNc1cnc(s1)C 1P028I3Q [1,1,0,0,0,0|2,0,0]=4 1491 B8R1.1 Nc1cc(sc1)C#N 1P00ICWL [1,1,0,0,0,0|0,0,2]=4 1492 B8R1.1 Nc1ccc(s1)C#N 1P00DIFY [1,1,0,0,0,0|0,0,2]=4 1493 B8R1.1 Nc1ncc(s1)CO 1P000W4R [1,1,0,0,0,0|2,0,0]=4 1494 B8R1.1 OCc1cc(co1)Cl 1P01EMTV [1,1,0,0,0,0|1,1,0]=4 1495 B8R1.1 OCc1cc(cs1)Br 1P003CBD [1,1,0,0,0,0|1,0,0]=3 1496 B8R1.1 OCc1cc(cs1)Cl 1P002NC1 [1,1,0,0,0,0|1,0,0]=3 1497 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [1,1,0,0,0,0|1,1,0]=4 1498 B8R1.1 OCc1ccc(s1)Br 1P0052HU [1,1,0,0,0,0|1,0,0]=3 1499 B8R1.1 OCc1ccc(s1)Cl 1P00FB5R [1,1,0,0,0,0|1,0,0]=3 1500 B8R1.1 OCc1ccc(s1)F 1P008JHJ [1,1,0,0,0,0|1,0,0]=3 1501 B8R1.1 OCc1cnc(s1)Br 1P006HSF [1,1,0,0,0,0|2,0,0]=4 1502 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [1,1,0,0,0,0|2,0,0]=4 1503 B8R1.1 OCc1nc(cs1)Br 1P002A0S [1,1,0,0,0,0|2,0,0]=4 1504 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [1,1,0,0,0,0|2,0,0]=4 1505 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [1,1,0,0,0,0|2,0,0]=4 1506 B8R1.1 SCc1cc(cs1)Br 1P0280AT [1,1,0,0,0,0|1,0,0]=3 1507 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [1,1,0,0,0,0|1,1,0]=4 1508 B8R1.1 SCc1ccc(s1)Br 1P0280GR [1,1,0,0,0,0|1,0,0]=3 1509 B8R1.1 SCc1ccc(s1)Cl 1P01IYEN [1,1,0,0,0,0|1,0,0]=3 1510 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [1,1,0,0,0,0|2,0,0]=4 1511 B8R1.7 CC(=C)c1ccco1 1P01DDLR [1,1,0,0,0,0|0,1,1]=4 1512 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [1,1,0,0,0,0|1,0,1]=4 1513 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [1,1,0,0,0,0|1,0,1]=4 1514 B8R1.7 CC(=O)c1ccco1 1P000IT2 [1,1,0,0,0,0|0,1,1]=4 1515 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,1,0,0,0,0|0,0,1]=3 1516 B8R1.7 CC(=O)c1ccns1 1P00C067 [1,1,0,0,0,0|1,0,1]=4 1517 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,1,0,0,0,0|1,0,1]=4 1518 B8R1.7 CC(=O)c1nccs1 1P003D8V [1,1,0,0,0,0|1,0,1]=4 1519 B8R1.7 CC(C1=[C-]CC=C1)C 1P003VP2 [1,1,0,0,0,0|1,0,1]=4 1520 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [1,1,0,0,0,0|1,0,1]=4 1521 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [1,1,0,0,0,0|2,0,0]=4 1522 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [1,1,0,0,0,0|2,0,0]=4 1523 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [1,1,0,0,0,0|2,0,0]=4 1524 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [1,1,0,0,0,0|2,0,0]=4 1525 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [1,1,0,0,0,0|2,0,0]=4 1526 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [1,1,0,0,0,0|2,0,0]=4 1527 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [1,1,0,0,0,0|1,0,0]=3 1528 B8R1.7 CC(c1ccco1)C 1P003HYG [1,1,0,0,0,0|0,1,0]=3 1529 B8R1.7 CC(c1ccco1)N 1P00BDMZ [1,1,0,0,0,0|0,1,0]=3 1530 B8R1.7 CC(c1ccco1)N 1P019N05 [1,1,0,0,0,0|0,1,0]=3 1531 B8R1.7 CC(c1ccco1)O 1P00I8MZ [1,1,0,0,0,0|0,1,0]=3 1532 B8R1.7 CC(c1ccco1)S 1P01A8IC [1,1,0,0,0,0|0,1,0]=3 1533 B8R1.7 CC(c1cccs1)N 1P0032QU [1,1,0,0,0,0|0,0,0]=2 1534 B8R1.7 CC(c1cccs1)N 1P00ATK3 [1,1,0,0,0,0|0,0,0]=2 1535 B8R1.7 CC(c1cccs1)O 1P002MMU [1,1,0,0,0,0|0,0,0]=2 1536 B8R1.7 CC(c1cccs1)S 1P01AKH2 [1,1,0,0,0,0|0,0,0]=2 1537 B8R1.7 CC(c1ccno1)O 1P0289RW [1,1,0,0,0,0|1,1,0]=4 1538 B8R1.7 CC(c1ccns1)N 1P01BY3O [1,1,0,0,0,0|1,0,0]=3 1539 B8R1.7 CC(c1ccns1)N 1P01BY4V [1,1,0,0,0,0|1,0,0]=3 1540 B8R1.7 CC(c1ccon1)N 1P01A3YI [1,1,0,0,0,0|2,0,0]=4 1541 B8R1.7 CC(c1ccon1)N 1P01AF6D [1,1,0,0,0,0|2,0,0]=4 1542 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [1,1,0,0,0,0|2,0,0]=4 1543 B8R1.7 CC(c1cnco1)O 1P028HP9 [1,1,0,0,0,0|1,1,0]=4 1544 B8R1.7 CC(c1cncs1)N 1P0099H5 [1,1,0,0,0,0|1,0,0]=3 1545 B8R1.7 CC(c1cncs1)N 1P01EII7 [1,1,0,0,0,0|1,0,0]=3 1546 B8R1.7 CC(c1cncs1)O 1P00D74H [1,1,0,0,0,0|1,0,0]=3 1547 B8R1.7 CC(c1cocc1)N 1P00BDB1 [1,1,0,0,0,0|2,0,0]=4 1548 B8R1.7 CC(c1cocc1)N 1P01A1FQ [1,1,0,0,0,0|2,0,0]=4 1549 B8R1.7 CC(c1cocc1)S 1P0291JO [1,1,0,0,0,0|2,0,0]=4 1550 B8R1.7 CC(c1cocn1)N 1P0286V2 [1,1,0,0,0,0|2,0,0]=4 1551 B8R1.7 CC(c1cocn1)O 1P020N34 [1,1,0,0,0,0|2,0,0]=4 1552 B8R1.7 CC(c1cscc1)N 1P008U4D [1,1,0,0,0,0|2,0,0]=4 1553 B8R1.7 CC(c1cscc1)O 1P00AT04 [1,1,0,0,0,0|2,0,0]=4 1554 B8R1.7 CC(c1cscn1)N 1P0089QY [1,1,0,0,0,0|2,0,0]=4 1555 B8R1.7 CC(c1cscn1)O 1P01A4T6 [1,1,0,0,0,0|2,0,0]=4 1556 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [1,1,0,0,0,0|2,0,0]=4 1557 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [1,1,0,0,0,0|2,0,0]=4 1558 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [1,1,0,0,0,0|2,0,0]=4 1559 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [1,1,0,0,0,0|2,0,0]=4 1560 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [1,1,0,0,0,0|2,0,0]=4 1561 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [1,1,0,0,0,0|2,0,0]=4 1562 B8R1.7 CC(c1ncco1)Br 1P0285HD [1,1,0,0,0,0|1,1,0]=4 1563 B8R1.7 CC(c1ncco1)Cl 1P028AQQ [1,1,0,0,0,0|1,1,0]=4 1564 B8R1.7 CC(c1ncco1)N 1P00HBMP [1,1,0,0,0,0|1,1,0]=4 1565 B8R1.7 CC(c1ncco1)N 1P01BDX7 [1,1,0,0,0,0|1,1,0]=4 1566 B8R1.7 CC(c1nccs1)Br 1P01A5LH [1,1,0,0,0,0|1,0,0]=3 1567 B8R1.7 CC(c1nccs1)Br 1P01DWD9 [1,1,0,0,0,0|1,0,0]=3 1568 B8R1.7 CC(c1nccs1)Cl 1P00CJVM [1,1,0,0,0,0|1,0,0]=3 1569 B8R1.7 CC(c1nccs1)N 1P003DCD [1,1,0,0,0,0|1,0,0]=3 1570 B8R1.7 CC(c1nccs1)N 1P003DCE [1,1,0,0,0,0|1,0,0]=3 1571 B8R1.7 CC(c1nccs1)O 1P00CJVD [1,1,0,0,0,0|1,0,0]=3 1572 B8R1.7 CC(c1nncs1)N 1P028YEU [1,1,0,0,0,0|2,0,0]=4 1573 B8R1.7 CC(c1ocnc1)C 1P01E7KI [1,1,0,0,0,0|1,1,0]=4 1574 B8R1.7 CC(c1ocnc1)N 1P01EIHC [1,1,0,0,0,0|1,1,0]=4 1575 B8R1.7 CC(c1scnc1)C 1P001WUZ [1,1,0,0,0,0|1,0,0]=3 1576 B8R1.7 CC(c1scnc1)N 1P024UN9 [1,1,0,0,0,0|1,0,0]=3 1577 B8R1.7 CC(n1cccn1)C 1P002E7T [1,1,0,0,0,0|2,0,0]=4 1578 B8R1.7 CN(c1nccs1)C 1P00ELP1 [1,1,0,0,0,0|2,0,0]=4 1579 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [1,1,0,0,0,0|2,0,0]=4 1580 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [1,1,0,0,0,0|2,0,0]=4 1581 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [1,1,0,0,0,0|0,1,0]=3 1582 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [1,1,0,0,0,0|0,0,0]=2 1583 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [1,1,0,0,0,0|0,0,0]=2 1584 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [1,1,0,0,0,0|0,0,0]=2 1585 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [1,1,0,0,0,0|1,0,0]=3 1586 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [1,1,0,0,0,0|1,0,0]=3 1587 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [1,1,0,0,0,0|1,0,0]=3 1588 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [1,1,0,0,0,0|2,0,0]=4 1589 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [1,1,0,0,0,0|2,0,0]=4 1590 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [1,1,0,0,0,0|2,0,0]=4 1591 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [1,1,0,0,0,0|2,0,0]=4 1592 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [1,1,0,0,0,0|2,0,0]=4 1593 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [1,1,0,0,0,0|2,0,0]=4 1594 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [1,1,0,0,0,0|1,0,0]=3 1595 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [1,1,0,0,0,0|1,0,0]=3 1596 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [1,1,0,0,0,0|2,0,0]=4 1597 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [1,1,0,0,0,0|1,0,0]=3 1598 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [1,1,0,0,0,0|2,0,0]=4 1599 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [1,1,0,0,0,0|2,0,0]=4 1600 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [1,1,0,0,0,0|0,1,0]=3 1601 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [1,1,0,0,0,0|0,1,0]=3 1602 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [1,1,0,0,0,0|0,0,0]=2 1603 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [1,1,0,0,0,0|0,0,0]=2 1604 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [1,1,0,0,0,0|0,0,0]=2 1605 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [1,1,0,0,0,0|1,0,0]=3 1606 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [1,1,0,0,0,0|1,0,0]=3 1607 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [1,1,0,0,0,0|2,0,0]=4 1608 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [1,1,0,0,0,0|2,0,0]=4 1609 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [1,1,0,0,0,0|2,0,0]=4 1610 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [1,1,0,0,0,0|2,0,0]=4 1611 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [1,1,0,0,0,0|2,0,0]=4 1612 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [1,1,0,0,0,0|1,0,0]=3 1613 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [1,1,0,0,0,0|1,0,0]=3 1614 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [1,1,0,0,0,0|2,0,0]=4 1615 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [1,1,0,0,0,0|1,0,0]=3 1616 B8R1.7 ClC(=O)c1cccs1 1P003BQI [1,1,0,0,0,0|1,0,1]=4 1617 B8R1.7 FC(c1nccs1)F 1P01FLBR [1,1,0,0,0,0|2,0,0]=4 1618 B8R1.7 NC(=N)c1ccc[nH]1 1P0284JU [1,1,0,0,0,0|1,0,1]=4 1619 B8R1.7 NC(=N)c1ccco1 1P00D99M [1,1,0,0,0,0|0,1,1]=4 1620 B8R1.7 NC(=N)c1cccs1 1P00D9DQ [1,1,0,0,0,0|0,0,1]=3 1621 B8R1.7 NC(=N)c1cncs1 1P01BFO7 [1,1,0,0,0,0|1,0,1]=4 1622 B8R1.7 NC(=N)c1nccs1 1P002PJP [1,1,0,0,0,0|1,0,1]=4 1623 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [1,1,0,0,0,0|1,0,1]=4 1624 B8R1.7 NC(=O)c1ccco1 1P003HT3 [1,1,0,0,0,0|0,1,1]=4 1625 B8R1.7 NC(=O)c1cncs1 1P008QNN [1,1,0,0,0,0|1,0,1]=4 1626 B8R1.7 NC(=O)c1nccs1 1P001XS6 [1,1,0,0,0,0|1,0,1]=4 1627 B8R1.7 NC(=S)c1ccc[nH]1 1P00I7UK [1,1,0,0,0,0|1,0,1]=4 1628 B8R1.7 NC(=S)c1ccco1 1P0021LD [1,1,0,0,0,0|0,1,1]=4 1629 B8R1.7 NC(=S)c1cccs1 1P00293Y [1,1,0,0,0,0|0,0,1]=3 1630 B8R1.7 NC(=S)c1cncs1 1P00BZE4 [1,1,0,0,0,0|1,0,1]=4 1631 B8R1.7 NC(=S)c1nccs1 1P00EAFR [1,1,0,0,0,0|1,0,1]=4 1632 B8R1.7 NS(=O)c1ccco1 1P027UN7 [1,1,0,0,0,0|1,1,0]=4 1633 B8R1.7 OB(c1cccs1)O 1P00365P [1,1,0,0,0,0|2,0,0]=4 1634 B8R1.7 OC(=O)c1cccs1 1P003IEW [1,1,0,0,0,0|1,0,1]=4 1635 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [1,1,0,0,0,0|1,0,1]=4 1636 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [1,1,0,0,0,0|1,0,1]=4 1637 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [1,1,0,0,0,0|1,0,1]=4 1638 B8R1.7 [O-]S(=O)c1cccs1 1P019ZVR [1,1,0,0,0,0|2,0,0]=4 1639 B8R1.7 [O-][N+](=O)c1cccs1 1P0033VP [1,1,0,0,0,0|2,0,0]=4 1640 B8R1.11 BrCc1sncc1Br 1P01C71S [1,1,0,0,0,0|2,0,0]=4 1641 B8R1.11 C#Cc1sccc1Br 1P028ZFD [1,1,0,0,0,0|0,0,2]=4 1642 B8R1.11 C#Cc1sccc1C 1P008N5V [1,1,0,0,0,0|0,0,2]=4 1643 B8R1.11 C#Cc1sccc1Cl 1P024UL1 [1,1,0,0,0,0|0,0,2]=4 1644 B8R1.11 CCc1c(N)cn[nH]1 1P01EIID [1,1,0,0,0,0|2,0,0]=4 1645 B8R1.11 CCc1cscc1Br 1P01DX5X [1,1,0,0,0,0|2,0,0]=4 1646 B8R1.11 CCc1cscc1N 1P0284R7 [1,1,0,0,0,0|2,0,0]=4 1647 B8R1.11 CCc1n[nH]cc1Br 1P001QDJ [1,1,0,0,0,0|2,0,0]=4 1648 B8R1.11 CCc1n[nH]cc1Cl 1P01R68I [1,1,0,0,0,0|2,0,0]=4 1649 B8R1.11 CCc1ncoc1Br 1P028G5M [1,1,0,0,0,0|2,0,0]=4 1650 B8R1.11 CCc1ncsc1Br 1P00KDXM [1,1,0,0,0,0|2,0,0]=4 1651 B8R1.11 CCc1ncsc1N 1P01A25Z [1,1,0,0,0,0|2,0,0]=4 1652 B8R1.11 CCc1nocc1N 1P01EK3W [1,1,0,0,0,0|2,0,0]=4 1653 B8R1.11 CCc1nocc1N 1P0286HW [1,1,0,0,0,0|2,0,0]=4 1654 B8R1.11 CCc1nscc1N 1P027NP7 [1,1,0,0,0,0|2,0,0]=4 1655 B8R1.11 CCc1ocnc1I 1P028UDH [1,1,0,0,0,0|1,1,0]=4 1656 B8R1.11 CCc1oncc1N 1P01B9EE [1,1,0,0,0,0|1,1,0]=4 1657 B8R1.11 CCc1scnc1C 1P00C09C [1,1,0,0,0,0|1,0,0]=3 1658 B8R1.11 CCn1nccc1Br 1P000TRN [1,1,0,0,0,0|2,0,0]=4 1659 B8R1.11 CCn1nccc1C 1P00JCO2 [1,1,0,0,0,0|2,0,0]=4 1660 B8R1.11 CCn1nccc1Cl 1P00HX11 [1,1,0,0,0,0|2,0,0]=4 1661 B8R1.11 CCn1nccc1I 1P009X6Z [1,1,0,0,0,0|2,0,0]=4 1662 B8R1.11 CCn1nccc1N 1P003ER6 [1,1,0,0,0,0|2,0,0]=4 1663 B8R1.11 CCn1nccc1O 1P007F8F [1,1,0,0,0,0|2,0,0]=4 1664 B8R1.11 CCn1nccc1O 1P028MCP [1,1,0,0,0,0|2,0,0]=4 1665 B8R1.11 COc1sccc1Br 1P00EQRS [1,1,0,0,0,0|1,0,0]=3 1666 B8R1.11 Cc1cocc1CN 1P027YZU [1,1,0,0,0,0|2,0,0]=4 1667 B8R1.11 Cc1cscc1CN 1P0091TD [1,1,0,0,0,0|2,0,0]=4 1668 B8R1.11 Cc1nc[nH]c1CN 1P00FS4D [1,1,0,0,0,0|2,0,0]=4 1669 B8R1.11 Cc1ncoc1CN 1P01AM79 [1,1,0,0,0,0|1,1,0]=4 1670 B8R1.11 Cc1ncoc1CN 1P01EIJH [1,1,0,0,0,0|1,1,0]=4 1671 B8R1.11 Cc1ncsc1CBr 1P00J3DE [1,1,0,0,0,0|2,0,0]=4 1672 B8R1.11 Cc1ncsc1CCl 1P000UJQ [1,1,0,0,0,0|2,0,0]=4 1673 B8R1.11 Cc1ncsc1CN 1P00G55H [1,1,0,0,0,0|1,0,0]=3 1674 B8R1.11 Cc1ncsc1CO 1P002BFI [1,1,0,0,0,0|2,0,0]=4 1675 B8R1.11 Cc1occc1CN 1P00C939 [1,1,0,0,0,0|2,0,0]=4 1676 B8R1.11 Cc1occc1CN 1P019XAT [1,1,0,0,0,0|2,0,0]=4 1677 B8R1.11 Cc1sccc1CN 1P01FJXJ [1,1,0,0,0,0|2,0,0]=4 1678 B8R1.11 Cc1scnc1CN 1P028ZJJ [1,1,0,0,0,0|2,0,0]=4 1679 B8R1.11 ClCc1sccc1Br 1P00FGO5 [1,1,0,0,0,0|1,0,0]=3 1680 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [1,1,0,0,0,0|1,0,0]=3 1681 B8R1.11 ClCc1sccc1I 1P01RLGG [1,1,0,0,0,0|1,0,0]=3 1682 B8R1.11 Cn1cncc1CN 1P00D8NH [1,1,0,0,0,0|2,0,0]=4 1683 B8R1.11 Cn1nccc1CN 1P003MNB [1,1,0,0,0,0|2,0,0]=4 1684 B8R1.11 Cn1nccc1CN 1P0093F9 [1,1,0,0,0,0|2,0,0]=4 1685 B8R1.11 N#Cc1sccc1Br 1P002H1F [1,1,0,0,0,0|0,0,2]=4 1686 B8R1.11 N#Cc1sccc1C 1P003K8R [1,1,0,0,0,0|0,0,2]=4 1687 B8R1.11 N#Cc1sccc1Cl 1P001F3J [1,1,0,0,0,0|0,0,2]=4 1688 B8R1.11 N#Cc1sccc1N 1P00ELHY [1,1,0,0,0,0|0,0,2]=4 1689 B8R1.11 NCc1c(Br)cn[nH]1 1P0292UG [1,1,0,0,0,0|2,0,0]=4 1690 B8R1.11 NCc1cccn1C 1P00FBQ5 [1,1,0,0,0,0|1,0,0]=3 1691 B8R1.11 NCc1cccn1C 1P01DL4E [1,1,0,0,0,0|1,0,0]=3 1692 B8R1.11 NCc1ccnn1C 1P0091AA [1,1,0,0,0,0|2,0,0]=4 1693 B8R1.11 NCc1ccsc1Br 1P001Q2F [1,1,0,0,0,0|2,0,0]=4 1694 B8R1.11 NCc1ccsc1Cl 1P028ZZB [1,1,0,0,0,0|2,0,0]=4 1695 B8R1.11 NCc1ccsc1I 1P028B92 [1,1,0,0,0,0|2,0,0]=4 1696 B8R1.11 NCc1cncn1C 1P0013QI [1,1,0,0,0,0|2,0,0]=4 1697 B8R1.11 NCc1cscc1Br 1P001NHI [1,1,0,0,0,0|2,0,0]=4 1698 B8R1.11 NCc1cscc1I 1P028M4W [1,1,0,0,0,0|2,0,0]=4 1699 B8R1.11 NCc1n[nH]cc1C 1P00ILM5 [1,1,0,0,0,0|2,0,0]=4 1700 B8R1.11 NCc1nc[nH]c1C 1P019TWY [1,1,0,0,0,0|2,0,0]=4 1701 B8R1.11 NCc1nccn1C 1P000MAC [1,1,0,0,0,0|2,0,0]=4 1702 B8R1.11 NCc1nccn1C 1P007XU1 [1,1,0,0,0,0|2,0,0]=4 1703 B8R1.11 NCc1nccn1C 1P00DIDN [1,1,0,0,0,0|2,0,0]=4 1704 B8R1.11 NCc1nocc1Br 1P024NNH [1,1,0,0,0,0|2,0,0]=4 1705 B8R1.11 NCc1nocc1Cl 1P0290VX [1,1,0,0,0,0|2,0,0]=4 1706 B8R1.11 NCc1occc1C 1P00CM1P [1,1,0,0,0,0|0,1,0]=3 1707 B8R1.11 NCc1sccc1Br 1P0055YI [1,1,0,0,0,0|0,0,0]=2 1708 B8R1.11 NCc1sccc1C 1P003C9G [1,1,0,0,0,0|0,0,0]=2 1709 B8R1.11 NCc1sccc1C 1P00HBEG [1,1,0,0,0,0|0,0,0]=2 1710 B8R1.11 NCc1sccc1Cl 1P00BK1B [1,1,0,0,0,0|0,0,0]=2 1711 B8R1.11 NCc1sccc1Cl 1P00ILE2 [1,1,0,0,0,0|0,0,0]=2 1712 B8R1.11 NCc1sccc1I 1P028CQW [1,1,0,0,0,0|0,0,0]=2 1713 B8R1.11 NCc1sncc1Br 1P01C71U [1,1,0,0,0,0|1,0,0]=3 1714 B8R1.11 NCc1snnc1C 1P0054CL [1,1,0,0,0,0|2,0,0]=4 1715 B8R1.11 O=Cc1sccc1Br 1P003JM1 [1,1,0,0,0,0|1,0,1]=4 1716 B8R1.11 O=Cc1sccc1C 1P00347R [1,1,0,0,0,0|1,0,1]=4 1717 B8R1.11 O=Cc1sccc1Cl 1P0061KR [1,1,0,0,0,0|1,0,1]=4 1718 B8R1.11 O=Cc1sccc1I 1P01H392 [1,1,0,0,0,0|1,0,1]=4 1719 B8R1.11 O=Cc1sccc1N 1P00EIWP [1,1,0,0,0,0|1,0,1]=4 1720 B8R1.11 OCc1occc1C 1P00C2AP [1,1,0,0,0,0|1,1,0]=4 1721 B8R1.11 OCc1sccc1Br 1P00FBQ7 [1,1,0,0,0,0|1,0,0]=3 1722 B8R1.11 OCc1sccc1C 1P00EJFD [1,1,0,0,0,0|1,0,0]=3 1723 B8R1.11 OCc1sccc1Cl 1P00BBN8 [1,1,0,0,0,0|1,0,0]=3 1724 B8R1.11 OCc1sccc1N 1P00AC6X [1,1,0,0,0,0|1,0,0]=3 1725 B8R1.11 OCc1scnc1Br 1P002SVS [1,1,0,0,0,0|2,0,0]=4 1726 B8R1.11 OCc1scnc1Cl 1P0008BK [1,1,0,0,0,0|2,0,0]=4 1727 B8R1.11 OCc1sncc1Br 1P01C71R [1,1,0,0,0,0|2,0,0]=4 1728 B8R1.11 OCc1sncc1I 1P028WSY [1,1,0,0,0,0|2,0,0]=4 1729 B8R1.11 SCc1occc1C 1P01EJ9G [1,1,0,0,0,0|1,1,0]=4 1730 B8R1.11 [O-]Cc1cccn1C 1P00DAW6 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [0,1,0,0,0,1|2,0,0]=4 1732 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [0,1,0,0,0,1|2,0,0]=4 1733 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [0,1,0,0,0,1|2,0,0]=4 1734 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [0,1,0,0,0,1|2,0,0]=4 1735 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [0,1,0,0,0,1|2,0,0]=4 1736 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [0,1,0,0,0,1|2,0,0]=4 1737 B10R1.1 BrCCc1ccc(cn1)F 1P028898 [0,1,0,0,0,1|2,0,0]=4 1738 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [0,1,0,0,0,1|2,0,0]=4 1739 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [0,1,0,0,0,1|2,0,0]=4 1740 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [0,1,0,0,0,1|2,0,0]=4 1741 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [0,1,0,0,0,1|2,0,0]=4 1742 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [0,1,0,0,0,1|2,0,0]=4 1743 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [0,1,0,0,0,1|2,0,0]=4 1744 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [0,1,0,0,0,1|2,0,0]=4 1745 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [0,1,0,0,0,1|2,0,0]=4 1746 B10R1.1 CCCc1ncc(cn1)N 1P01B8I4 [0,1,0,0,0,1|2,0,0]=4 1747 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [0,1,0,0,0,1|1,0,0]=3 1748 B10R1.1 Cc1cnc(cn1)CCO 1P01A6ZU [0,1,0,0,0,1|2,0,0]=4 1749 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [0,1,0,0,0,1|2,0,0]=4 1750 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [0,1,0,0,0,1|2,0,0]=4 1751 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [0,1,0,0,0,1|2,0,0]=4 1752 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [0,1,0,0,0,1|2,0,0]=4 1753 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [0,1,0,0,0,1|2,0,0]=4 1754 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [0,1,0,0,0,1|2,0,0]=4 1755 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [0,1,0,0,0,1|2,0,0]=4 1756 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [0,1,0,0,0,1|2,0,0]=4 1757 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [0,1,0,0,0,1|2,0,0]=4 1758 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [0,1,0,0,0,1|1,0,0]=3 1759 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [0,1,0,0,0,1|1,0,0]=3 1760 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [0,1,0,0,0,1|1,0,0]=3 1761 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [0,1,0,0,0,1|1,0,0]=3 1762 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [0,1,0,0,0,1|1,0,0]=3 1763 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [0,1,0,0,0,1|1,0,0]=3 1764 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [0,1,0,0,0,1|1,0,0]=3 1765 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [0,1,0,0,0,1|1,0,0]=3 1766 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [0,1,0,0,0,1|1,0,0]=3 1767 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [0,1,0,0,0,1|1,0,0]=3 1768 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [0,1,0,0,0,1|1,0,0]=3 1769 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [0,1,0,0,0,1|1,0,0]=3 1770 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [0,1,0,0,0,1|1,0,0]=3 1771 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [0,1,0,0,0,1|1,0,0]=3 1772 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [0,1,0,0,0,1|1,0,0]=3 1773 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [0,1,0,0,0,1|1,0,0]=3 1774 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [0,1,0,0,0,1|1,0,0]=3 1775 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [0,1,0,0,0,1|1,0,0]=3 1776 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [0,1,0,0,0,1|1,0,0]=3 1777 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [0,1,0,0,0,1|1,0,0]=3 1778 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [0,1,0,0,0,1|1,0,0]=3 1779 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [0,1,0,0,0,1|1,0,0]=3 1780 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [0,1,0,0,0,1|1,0,0]=3 1781 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [0,1,0,0,0,1|1,0,0]=3 1782 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [0,1,0,0,0,1|2,0,0]=4 1783 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [0,1,0,0,0,1|1,0,0]=3 1784 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [0,1,0,0,0,1|1,0,0]=3 1785 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [0,1,0,0,0,1|1,0,0]=3 1786 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [0,1,0,0,0,1|1,0,0]=3 1787 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [0,1,0,0,0,1|1,0,0]=3 1788 B10R1.1 NCCn1ccc(=O)cc1 1P028S6B [0,1,0,0,0,1|2,0,0]=4 1789 B10R1.1 NNCc1ccc(cc1)Br 1P00I01Q [0,1,0,0,0,1|2,0,0]=4 1790 B10R1.1 NNCc1ccc(cc1)Br 1P01KLR6 [0,1,0,0,0,1|2,0,0]=4 1791 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [0,1,0,0,0,1|2,0,0]=4 1792 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [0,1,0,0,0,1|2,0,0]=4 1793 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [0,1,0,0,0,1|2,0,0]=4 1794 B10R1.1 NNCc1ccc(cc1)Cl 1P00914B [0,1,0,0,0,1|2,0,0]=4 1795 B10R1.1 NNCc1ccc(cc1)Cl 1P00G558 [0,1,0,0,0,1|2,0,0]=4 1796 B10R1.1 NNCc1ccc(cc1)Cl 1P00J1XO [0,1,0,0,0,1|2,0,0]=4 1797 B10R1.1 NNCc1ccc(cc1)F 1P0001BU [0,1,0,0,0,1|2,0,0]=4 1798 B10R1.1 NNCc1ccc(cc1)F 1P008ZIB [0,1,0,0,0,1|2,0,0]=4 1799 B10R1.1 NNCc1ccc(cc1)I 1P01XD1O [0,1,0,0,0,1|2,0,0]=4 1800 B10R1.1 NNCc1ccc(cc1)O 1P028XZA [0,1,0,0,0,1|2,0,0]=4 1801 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [0,1,0,0,0,1|2,0,0]=4 1802 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [0,1,0,0,0,1|2,0,0]=4 1803 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [0,1,0,0,0,1|2,0,0]=4 1804 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [0,1,0,0,0,1|2,0,0]=4 1805 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [0,1,0,0,0,1|2,0,0]=4 1806 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [0,1,0,0,0,1|2,0,0]=4 1807 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [0,1,0,0,0,1|2,0,0]=4 1808 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [0,1,0,0,0,1|2,0,0]=4 1809 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [0,1,0,0,0,1|2,0,0]=4 1810 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [0,1,0,0,0,1|2,0,0]=4 1811 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [0,1,0,0,0,1|2,0,0]=4 1812 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [0,1,0,0,0,1|2,0,0]=4 1813 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [0,1,0,0,0,1|2,0,0]=4 1814 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [0,1,0,0,0,1|2,0,0]=4 1815 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [0,1,0,0,0,1|2,0,0]=4 1816 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [0,1,0,0,0,1|2,0,0]=4 1817 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [0,1,0,0,0,1|2,0,0]=4 1818 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [0,1,0,0,0,1|2,0,0]=4 1819 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [0,1,0,0,0,1|2,0,0]=4 1820 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [0,1,0,0,0,1|2,0,0]=4 1821 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [0,1,0,0,0,1|2,0,0]=4 1822 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [0,1,0,0,0,1|2,0,0]=4 1823 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [0,1,0,0,0,1|2,0,0]=4 1824 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [0,1,0,0,0,1|2,0,0]=4 1825 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [0,1,0,0,0,1|2,0,0]=4 1826 B10R1.4 BrCCc1ccccc1C 1P001Y5M [0,1,0,0,0,1|2,0,0]=4 1827 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [0,1,0,0,0,1|2,0,0]=4 1828 B10R1.4 BrCCc1ccccc1F 1P003DA4 [0,1,0,0,0,1|2,0,0]=4 1829 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [0,1,0,0,0,1|2,0,0]=4 1830 B10R1.4 CCCc1ccccc1Br 1P01A28R [0,1,0,0,0,1|2,0,0]=4 1831 B10R1.4 CCCc1ccccc1I 1P007DSL [0,1,0,0,0,1|2,0,0]=4 1832 B10R1.4 CCCc1ccccc1N 1P0023UO [0,1,0,0,0,1|2,0,0]=4 1833 B10R1.4 CCCc1ccccc1N 1P028ATX [0,1,0,0,0,1|2,0,0]=4 1834 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [0,1,0,0,0,1|2,0,0]=4 1835 B10R1.4 CCCc1nccnc1N 1P01B74B [0,1,0,0,0,1|2,0,0]=4 1836 B10R1.4 Cc1ccncc1CCN 1P01A10B [0,1,0,0,0,1|1,0,0]=3 1837 B10R1.4 Cc1ncccc1CCN 1P00E8BN [0,1,0,0,0,1|1,0,0]=3 1838 B10R1.4 Cc1nccnc1CCN 1P01AN51 [0,1,0,0,0,1|1,0,0]=3 1839 B10R1.4 Cc1nccnc1CCO 1P00E9U6 [0,1,0,0,0,1|2,0,0]=4 1840 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [0,1,0,0,0,1|2,0,0]=4 1841 B10R1.4 ClCCc1ccccc1C 1P0076GQ [0,1,0,0,0,1|2,0,0]=4 1842 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [0,1,0,0,0,1|2,0,0]=4 1843 B10R1.4 ClCCc1ccccc1F 1P000Q40 [0,1,0,0,0,1|2,0,0]=4 1844 B10R1.4 ClCCc1ccncc1Br 1P028UZ5 [0,1,0,0,0,1|2,0,0]=4 1845 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [0,1,0,0,0,1|2,0,0]=4 1846 B10R1.4 Fc1ncccc1CCCl 1P028QVG [0,1,0,0,0,1|2,0,0]=4 1847 B10R1.4 ICCc1ccccc1F 1P01BEPP [0,1,0,0,0,1|2,0,0]=4 1848 B10R1.4 NCCc1ccccc1Br 1P0033NE [0,1,0,0,0,1|1,0,0]=3 1849 B10R1.4 NCCc1ccccc1Br 1P009XKK [0,1,0,0,0,1|1,0,0]=3 1850 B10R1.4 NCCc1ccccc1C 1P00IAEQ [0,1,0,0,0,1|1,0,0]=3 1851 B10R1.4 NCCc1ccccc1Cl 1P003F85 [0,1,0,0,0,1|1,0,0]=3 1852 B10R1.4 NCCc1ccccc1F 1P00DERZ [0,1,0,0,0,1|1,0,0]=3 1853 B10R1.4 NCCc1ccccc1I 1P005C61 [0,1,0,0,0,1|1,0,0]=3 1854 B10R1.4 NCCc1ccccc1N 1P000HRK [0,1,0,0,0,1|1,0,0]=3 1855 B10R1.4 NCCc1ccccc1N 1P00DED7 [0,1,0,0,0,1|1,0,0]=3 1856 B10R1.4 NCCc1ccccc1O 1P0029N4 [0,1,0,0,0,1|1,0,0]=3 1857 B10R1.4 NCCc1ccccc1O 1P019VVD [0,1,0,0,0,1|1,0,0]=3 1858 B10R1.4 NCCc1cccnc1Cl 1P028PPO [0,1,0,0,0,1|1,0,0]=3 1859 B10R1.4 NCCc1cccnc1F 1P028R5T [0,1,0,0,0,1|1,0,0]=3 1860 B10R1.4 NCCc1cccnc1O 1P027WOI [0,1,0,0,0,1|1,0,0]=3 1861 B10R1.4 NCCc1cccnc1O 1P028FLD [0,1,0,0,0,1|1,0,0]=3 1862 B10R1.4 NCCc1ccncc1Br 1P01ELK2 [0,1,0,0,0,1|1,0,0]=3 1863 B10R1.4 NCCc1ccncc1C 1P01A31B [0,1,0,0,0,1|1,0,0]=3 1864 B10R1.4 NCCc1ccncc1Cl 1P027XZC [0,1,0,0,0,1|1,0,0]=3 1865 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [0,1,0,0,0,1|1,0,0]=3 1866 B10R1.4 NCCc1ncccc1C 1P004NE2 [0,1,0,0,0,1|1,0,0]=3 1867 B10R1.4 NCCc1ncccc1C 1P01C4WV [0,1,0,0,0,1|1,0,0]=3 1868 B10R1.4 NCCc1ncccc1F 1P00AO5H [0,1,0,0,0,1|1,0,0]=3 1869 B10R1.4 NCCn1ccccc1=O 1P00CAS4 [0,1,0,0,0,1|2,0,0]=4 1870 B10R1.4 NCCn1ccccc1=O 1P019ZY4 [0,1,0,0,0,1|2,0,0]=4 1871 B10R1.4 NCCn1cccnc1=O 1P01FJVP [0,1,0,0,0,1|2,0,0]=4 1872 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [0,1,0,0,0,1|2,0,0]=4 1873 B10R1.4 NCCn1ncccc1=O 1P01AS7H [0,1,0,0,0,1|2,0,0]=4 1874 B10R1.4 NNCc1ccccc1Br 1P00HUAC [0,1,0,0,0,1|2,0,0]=4 1875 B10R1.4 NNCc1ccccc1C 1P00J1XT [0,1,0,0,0,1|2,0,0]=4 1876 B10R1.4 NNCc1ccccc1Cl 1P00EM60 [0,1,0,0,0,1|2,0,0]=4 1877 B10R1.4 NNCc1ccccc1Cl 1P019D1I [0,1,0,0,0,1|2,0,0]=4 1878 B10R1.4 NNCc1ccccc1F 1P0015VJ [0,1,0,0,0,1|2,0,0]=4 1879 B10R1.4 NNCc1ccccc1F 1P003951 [0,1,0,0,0,1|2,0,0]=4 1880 B10R1.4 NNCc1ccccc1F 1P009GXI [0,1,0,0,0,1|2,0,0]=4 1881 B10R1.4 NNCc1ccccc1O 1P028ZMU [0,1,0,0,0,1|2,0,0]=4 1882 B10R1.4 NOCc1ccccc1C 1P008PH3 [0,1,0,0,0,1|2,0,0]=4 1883 B10R1.4 NOCc1ccccc1Cl 1P00DJ0J [0,1,0,0,0,1|2,0,0]=4 1884 B10R1.4 NOCc1ccccc1F 1P00BHGU [0,1,0,0,0,1|2,0,0]=4 1885 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [0,1,0,0,0,1|1,0,0]=3 1886 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [0,1,0,0,0,1|2,0,0]=4 1887 B10R1.4 OCCc1ccccc1Br 1P0033B7 [0,1,0,0,0,1|2,0,0]=4 1888 B10R1.4 OCCc1ccccc1C 1P002BSO [0,1,0,0,0,1|2,0,0]=4 1889 B10R1.4 OCCc1ccccc1Cl 1P002BSP [0,1,0,0,0,1|2,0,0]=4 1890 B10R1.4 OCCc1ccccc1F 1P003HSQ [0,1,0,0,0,1|2,0,0]=4 1891 B10R1.4 OCCc1ccccc1I 1P002S0H [0,1,0,0,0,1|2,0,0]=4 1892 B10R1.4 OCCc1ccccc1N 1P0033L2 [0,1,0,0,0,1|2,0,0]=4 1893 B10R1.4 OCCc1ccccc1N 1P028P0Y [0,1,0,0,0,1|2,0,0]=4 1894 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [0,1,0,0,0,1|2,0,0]=4 1895 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [0,1,0,0,0,1|2,0,0]=4 1896 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [0,1,0,0,0,1|2,0,0]=4 1897 B10R1.4 OCCc1ccncc1C 1P01C3LX [0,1,0,0,0,1|2,0,0]=4 1898 B10R1.4 OCCc1ncccc1Br 1P000LZX [0,1,0,0,0,1|2,0,0]=4 1899 B10R1.4 OCCc1ncccc1C 1P00DDGW [0,1,0,0,0,1|2,0,0]=4 1900 B10R1.4 OCCc1ncccc1F 1P000177 [0,1,0,0,0,1|2,0,0]=4 1901 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [0,1,0,0,0,1|2,0,0]=4 1902 B10R1.4 SCCc1ccccc1I 1P0025ZP [0,1,0,0,0,1|2,0,0]=4 1903 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [0,1,0,0,0,1|2,0,0]=4 1904 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [0,1,0,0,0,1|2,0,0]=4 1905 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [0,1,0,0,0,1|2,0,0]=4 1906 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [0,1,0,0,0,1|2,0,0]=4 1907 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [0,1,0,0,0,1|2,0,0]=4 1908 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [0,1,0,0,0,1|2,0,0]=4 1909 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [0,1,0,0,0,1|2,0,0]=4 1910 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [0,1,0,0,0,1|2,0,0]=4 1911 B10R1.10 CCCc1cccc(c1)F 1P002W84 [0,1,0,0,0,1|2,0,0]=4 1912 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [0,1,0,0,0,1|2,0,0]=4 1913 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [0,1,0,0,0,1|2,0,0]=4 1914 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [0,1,0,0,0,1|2,0,0]=4 1915 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [0,1,0,0,0,1|2,0,0]=4 1916 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [0,1,0,0,0,1|2,0,0]=4 1917 B10R1.10 CCCc1nccc(n1)N 1P0003MS [0,1,0,0,0,1|2,0,0]=4 1918 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [0,1,0,0,0,1|2,0,0]=4 1919 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [0,1,0,0,0,1|1,0,0]=3 1920 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [0,1,0,0,0,1|2,0,0]=4 1921 B10R1.10 Cc1cncc(n1)CCO 1P01C499 [0,1,0,0,0,1|2,0,0]=4 1922 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [0,1,0,0,0,1|2,0,0]=4 1923 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [0,1,0,0,0,1|2,0,0]=4 1924 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [0,1,0,0,0,1|2,0,0]=4 1925 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [0,1,0,0,0,1|2,0,0]=4 1926 B10R1.10 Clc1cc(CCBr)ncc1 1P0291JG [0,1,0,0,0,1|2,0,0]=4 1927 B10R1.10 FCCc1cccc(c1)N 1P028L7R [0,1,0,0,0,1|2,0,0]=4 1928 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [0,1,0,0,0,1|1,0,0]=3 1929 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [0,1,0,0,0,1|1,0,0]=3 1930 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [0,1,0,0,0,1|1,0,0]=3 1931 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [0,1,0,0,0,1|1,0,0]=3 1932 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [0,1,0,0,0,1|1,0,0]=3 1933 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [0,1,0,0,0,1|1,0,0]=3 1934 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [0,1,0,0,0,1|1,0,0]=3 1935 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [0,1,0,0,0,1|1,0,0]=3 1936 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [0,1,0,0,0,1|1,0,0]=3 1937 B10R1.10 NCCc1cccc(c1)I 1P027YWC [0,1,0,0,0,1|1,0,0]=3 1938 B10R1.10 NCCc1cccc(c1)N 1P004DKM [0,1,0,0,0,1|1,0,0]=3 1939 B10R1.10 NCCc1cccc(c1)N 1P00G36E [0,1,0,0,0,1|1,0,0]=3 1940 B10R1.10 NCCc1cccc(c1)O 1P003K1G [0,1,0,0,0,1|1,0,0]=3 1941 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [0,1,0,0,0,1|1,0,0]=3 1942 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [0,1,0,0,0,1|1,0,0]=3 1943 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [0,1,0,0,0,1|1,0,0]=3 1944 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [0,1,0,0,0,1|1,0,0]=3 1945 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [0,1,0,0,0,1|1,0,0]=3 1946 B10R1.10 NCCc1ccnc(c1)Cl 1P028Z1X [0,1,0,0,0,1|1,0,0]=3 1947 B10R1.10 NCCc1ccnc(c1)F 1P023ZSI [0,1,0,0,0,1|1,0,0]=3 1948 B10R1.10 NCCc1ccnc(c1)N 1P01B38D [0,1,0,0,0,1|1,0,0]=3 1949 B10R1.10 NCCc1ccnc(c1)O 1P01BY6E [0,1,0,0,0,1|1,0,0]=3 1950 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [0,1,0,0,0,1|1,0,0]=3 1951 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [0,1,0,0,0,1|1,0,0]=3 1952 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [0,1,0,0,0,1|1,0,0]=3 1953 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [0,1,0,0,0,1|1,0,0]=3 1954 B10R1.10 NCCc1cncc(c1)O 1P01B87N [0,1,0,0,0,1|1,0,0]=3 1955 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [0,1,0,0,0,1|1,0,0]=3 1956 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [0,1,0,0,0,1|1,0,0]=3 1957 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [0,1,0,0,0,1|1,0,0]=3 1958 B10R1.10 NNCc1cccc(c1)Br 1P019ZHS [0,1,0,0,0,1|2,0,0]=4 1959 B10R1.10 NNCc1cccc(c1)Br 1P01DDSX [0,1,0,0,0,1|2,0,0]=4 1960 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [0,1,0,0,0,1|2,0,0]=4 1961 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [0,1,0,0,0,1|2,0,0]=4 1962 B10R1.10 NNCc1cccc(c1)Cl 1P000RQ2 [0,1,0,0,0,1|2,0,0]=4 1963 B10R1.10 NNCc1cccc(c1)Cl 1P002RTJ [0,1,0,0,0,1|2,0,0]=4 1964 B10R1.10 NNCc1cccc(c1)F 1P0001BT [0,1,0,0,0,1|2,0,0]=4 1965 B10R1.10 NNCc1cccc(c1)F 1P01A12G [0,1,0,0,0,1|2,0,0]=4 1966 B10R1.10 NNCc1cccc(c1)O 1P003K10 [0,1,0,0,0,1|2,0,0]=4 1967 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [0,1,0,0,0,1|2,0,0]=4 1968 B10R1.10 NNCc1cncc(c1)F 1P028MND [0,1,0,0,0,1|2,0,0]=4 1969 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [0,1,0,0,0,1|2,0,0]=4 1970 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [0,1,0,0,0,1|2,0,0]=4 1971 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [0,1,0,0,0,1|2,0,0]=4 1972 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [0,1,0,0,0,1|2,0,0]=4 1973 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [0,1,0,0,0,1|2,0,0]=4 1974 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [0,1,0,0,0,1|2,0,0]=4 1975 B10R1.10 Nc1cc(CCO)ncn1 1P01WK8I [0,1,0,0,0,1|2,0,0]=4 1976 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [0,1,0,0,0,1|2,0,0]=4 1977 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [0,1,0,0,0,1|2,0,0]=4 1978 B10R1.10 OCCc1cccc(c1)Br 1P00343L [0,1,0,0,0,1|2,0,0]=4 1979 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [0,1,0,0,0,1|2,0,0]=4 1980 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [0,1,0,0,0,1|2,0,0]=4 1981 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [0,1,0,0,0,1|2,0,0]=4 1982 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [0,1,0,0,0,1|2,0,0]=4 1983 B10R1.10 OCCc1cccc(c1)O 1P0071LP [0,1,0,0,0,1|2,0,0]=4 1984 B10R1.10 OCCc1cccc(n1)Br 1P00376A [0,1,0,0,0,1|2,0,0]=4 1985 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [0,1,0,0,0,1|2,0,0]=4 1986 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [0,1,0,0,0,1|2,0,0]=4 1987 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [0,1,0,0,0,1|2,0,0]=4 1988 B10R1.10 OCCc1cncc(n1)Cl 1P027UB1 [0,1,0,0,0,1|2,0,0]=4 1989 B10R1.10 OCCc1nccc(n1)C 1P01BABC [0,1,0,0,0,1|2,0,0]=4 1990 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [0,1,0,0,0,1|2,0,0]=4 1991 B10R1.15 *CC(c1ccccc1)* 1P0035YN [0,1,0,0,0,1|2,0,0]=4 1992 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [0,1,0,0,0,1|2,0,0]=4 1993 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [0,1,0,0,0,1|2,0,0]=4 1994 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [0,1,0,0,0,1|2,0,0]=4 1995 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [0,1,0,0,0,1|2,0,0]=4 1996 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [0,1,0,0,0,1|2,0,0]=4 1997 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [0,1,0,0,0,1|2,0,0]=4 1998 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [0,1,0,0,0,1|1,0,0]=3 1999 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [0,1,0,0,0,1|2,0,0]=4 2000 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [0,1,0,0,0,1|2,0,0]=4 2001 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [0,1,0,0,0,1|2,0,0]=4 2002 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [0,1,0,0,0,1|2,0,0]=4 2003 B10R1.15 CCC(c1ccccc1)N 1P003F3H [0,1,0,0,0,1|2,0,0]=4 2004 B10R1.15 CCC(c1ccccc1)S 1P01A000 [0,1,0,0,0,1|2,0,0]=4 2005 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,1,0,0,0,1|2,0,0]=4 2006 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,1,0,0,0,1|2,0,0]=4 2007 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,1,0,0,0,1|2,0,0]=4 2008 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,1,0,0,0,1|2,0,0]=4 2009 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [0,1,0,0,0,1|2,0,0]=4 2010 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [0,1,0,0,0,1|2,0,0]=4 2011 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [0,1,0,0,0,1|2,0,0]=4 2012 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [0,1,0,0,0,1|2,0,0]=4 2013 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [0,1,0,0,0,1|2,0,0]=4 2014 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [0,1,0,0,0,1|2,0,0]=4 2015 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [0,1,0,0,0,1|2,0,0]=4 2016 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [0,1,0,0,0,1|2,0,0]=4 2017 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [0,1,0,0,0,1|2,0,0]=4 2018 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,1,0,0,0,1|2,0,0]=4 2019 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,1,0,0,0,1|2,0,0]=4 2020 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [0,1,0,0,0,1|2,0,0]=4 2021 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [0,1,0,0,0,1|2,0,0]=4 2022 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [0,1,0,0,0,1|2,0,0]=4 2023 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [0,1,0,0,0,1|2,0,0]=4 2024 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [0,1,0,0,0,1|2,0,0]=4 2025 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [0,1,0,0,0,1|2,0,0]=4 2026 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [0,1,0,0,0,1|2,0,0]=4 2027 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [0,1,0,0,0,1|2,0,0]=4 2028 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [0,1,0,0,0,1|2,0,0]=4 2029 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [0,1,0,0,0,1|2,0,0]=4 2030 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [0,1,0,0,0,1|2,0,0]=4 2031 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [0,1,0,0,0,1|1,0,1]=4 2032 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [0,1,0,0,0,1|1,0,1]=4 2033 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [0,1,0,0,0,1|1,0,1]=4 2034 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [0,1,0,0,0,1|1,0,1]=4 2035 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [0,1,0,0,0,1|1,0,1]=4 2036 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [0,1,0,0,0,1|1,0,1]=4 2037 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [0,1,0,0,0,1|1,0,1]=4 2038 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,1,0,0,0,1|1,0,0]=3 2039 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,1,0,0,0,1|1,0,0]=3 2040 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,1,0,0,0,1|1,0,0]=3 2041 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,1,0,0,0,1|1,0,0]=3 2042 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,1,0,0,0,1|1,0,0]=3 2043 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [0,1,0,0,0,1|1,0,0]=3 2044 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [0,1,0,0,0,1|1,0,0]=3 2045 B10R1.15 NCC(c1ccccn1)O 1P019LWP [0,1,0,0,0,1|1,0,0]=3 2046 B10R1.15 NCC(c1cccnc1)O 1P006JYO [0,1,0,0,0,1|1,0,0]=3 2047 B10R1.15 NCC(c1cccnc1)O 1P009SDI [0,1,0,0,0,1|1,0,0]=3 2048 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [0,1,0,0,0,1|1,0,0]=3 2049 B10R1.15 NCC(c1ccncc1)C 1P019ULY [0,1,0,0,0,1|1,0,0]=3 2050 B10R1.15 NCC(c1ccncc1)C 1P028YSF [0,1,0,0,0,1|1,0,0]=3 2051 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [0,1,0,0,0,1|1,0,0]=3 2052 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,1,0,0,0,1|1,0,0]=3 2053 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,1,0,0,0,1|1,0,0]=3 2054 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,1,0,0,0,1|1,0,0]=3 2055 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,1,0,0,0,1|1,0,0]=3 2056 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [0,1,0,0,0,1|1,0,0]=3 2057 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,1,0,0,0,1|1,0,0]=3 2058 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,1,0,0,0,1|1,0,0]=3 2059 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,1,0,0,0,1|1,0,0]=3 2060 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [0,1,0,0,0,1|1,0,0]=3 2061 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [0,1,0,0,0,1|2,0,0]=4 2062 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [0,1,0,0,0,1|2,0,0]=4 2063 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [0,1,0,0,0,1|2,0,0]=4 2064 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [0,1,0,0,0,1|2,0,0]=4 2065 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [0,1,0,0,0,1|2,0,0]=4 2066 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [0,1,0,0,0,1|2,0,0]=4 2067 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [0,1,0,0,0,1|2,0,0]=4 2068 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [0,1,0,0,0,1|2,0,0]=4 2069 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [0,1,0,0,0,1|2,0,0]=4 2070 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [0,1,0,0,0,1|2,0,0]=4 2071 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [0,1,0,0,0,1|2,0,0]=4 2072 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [0,1,0,0,0,1|2,0,0]=4 2073 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [0,1,0,0,0,1|2,0,0]=4 2074 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [0,1,0,0,0,1|2,0,0]=4 2075 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [0,1,0,0,0,1|2,0,0]=4 2076 B10R1.15 OCC(c1ccccn1)O 1P0285SM [0,1,0,0,0,1|2,0,0]=4 2077 B10R1.15 OCC(c1cccnc1)N 1P0092VK [0,1,0,0,0,1|2,0,0]=4 2078 B10R1.15 OCC(c1ccncc1)N 1P00171M [0,1,0,0,0,1|2,0,0]=4 2079 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [0,1,0,0,0,1|2,0,0]=4 2080 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [0,1,0,0,0,1|2,0,0]=4 2081 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [0,1,0,0,0,1|2,0,0]=4 2082 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [0,1,0,0,0,1|2,0,0]=4 2083 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [0,1,0,0,0,1|2,0,0]=4 2084 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [0,1,0,0,0,1|2,0,0]=4 2085 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [0,1,0,0,0,1|2,0,0]=4 2086 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [0,1,0,0,0,1|2,0,0]=4 2087 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [0,1,0,0,0,1|2,0,0]=4 2088 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [0,1,0,0,0,1|2,0,0]=4 2089 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [0,1,0,0,0,1|2,0,0]=4 2090 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [0,1,0,0,0,1|2,0,0]=4 2091 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [0,1,0,0,0,1|2,0,0]=4 2092 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [0,1,0,0,0,1|1,0,1]=4 2093 B10R1.17 BrCCCc1ccccc1 1P003EL3 [0,1,0,0,0,1|2,0,0]=4 2094 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,1,0,0,0,1|2,0,0]=4 2095 B10R1.17 BrCCCc1ccncc1 1P01A6KW [0,1,0,0,0,1|2,0,0]=4 2096 B10R1.17 BrCCOc1ccccc1 1P003IB5 [0,1,0,0,0,1|2,0,0]=4 2097 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,1,0,0,0,1|2,0,0]=4 2098 B10R1.17 BrCCSc1ccccc1 1P003H8K [0,1,0,0,0,1|2,0,0]=4 2099 B10R1.17 BrCOCc1ccccc1 1P0025GN [0,1,0,0,0,1|2,0,0]=4 2100 B10R1.17 C=CCCc1ccccc1 1P003MFS [0,1,0,0,0,1|2,0,0]=4 2101 B10R1.17 C=CCCc1ccccn1 1P002M25 [0,1,0,0,0,1|2,0,0]=4 2102 B10R1.17 C=CCCc1cccnc1 1P00663U [0,1,0,0,0,1|2,0,0]=4 2103 B10R1.17 CCCCc1ccccc1 1P003P2W [0,1,0,0,0,1|2,0,0]=4 2104 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,1,0,0,0,1|2,0,0]=4 2105 B10R1.17 CCCCc1cccnc1 1P00343V [0,1,0,0,0,1|2,0,0]=4 2106 B10R1.17 CCCCc1ccncc1 1P00I9ZL [0,1,0,0,0,1|2,0,0]=4 2107 B10R1.17 CCCNc1ccccc1 1P003TSL [0,1,0,0,0,1|2,0,0]=4 2108 B10R1.17 CCCNc1cccnc1 1P019YSP [0,1,0,0,0,1|2,0,0]=4 2109 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,1,0,0,0,1|2,0,0]=4 2110 B10R1.17 CCCOc1cccnn1 1P005TEB [0,1,0,0,0,1|2,0,0]=4 2111 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,1,0,0,0,1|2,0,0]=4 2112 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,1,0,0,0,1|2,0,0]=4 2113 B10R1.17 CCNCc1ccccc1 1P003TGS [0,1,0,0,0,1|2,0,0]=4 2114 B10R1.17 CCNCc1ccccn1 1P003SQR [0,1,0,0,0,1|2,0,0]=4 2115 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,1,0,0,0,1|2,0,0]=4 2116 B10R1.17 CCNCc1ccncc1 1P003KOX [0,1,0,0,0,1|2,0,0]=4 2117 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,1,0,0,0,1|2,0,0]=4 2118 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,1,0,0,0,1|1,0,0]=3 2119 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,1,0,0,0,1|1,0,0]=3 2120 B10R1.17 CNCCc1ccccn1 1P003OMV [0,1,0,0,0,1|1,0,0]=3 2121 B10R1.17 CNCCc1ccccn1 1P003TMX [0,1,0,0,0,1|1,0,0]=3 2122 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,1,0,0,0,1|1,0,0]=3 2123 B10R1.17 CNCCc1cccnc1 1P00025V [0,1,0,0,0,1|1,0,0]=3 2124 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,1,0,0,0,1|1,0,0]=3 2125 B10R1.17 CNCCc1ccncc1 1P0004J6 [0,1,0,0,0,1|1,0,0]=3 2126 B10R1.17 CNCCc1ccncc1 1P00D8ZU [0,1,0,0,0,1|1,0,0]=3 2127 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,1,0,0,0,1|1,0,0]=3 2128 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,1,0,0,0,1|1,0,0]=3 2129 B10R1.17 CNNCc1ccccc1 1P007YMP [0,1,0,0,0,1|2,0,0]=4 2130 B10R1.17 CNNCc1ccccc1 1P01EKFO [0,1,0,0,0,1|2,0,0]=4 2131 B10R1.17 CNNCc1cccnc1 1P00IGF8 [0,1,0,0,0,1|2,0,0]=4 2132 B10R1.17 CNOCc1ccccc1 1P005PAZ [0,1,0,0,0,1|2,0,0]=4 2133 B10R1.17 CNOCc1ccccc1 1P01A29U [0,1,0,0,0,1|2,0,0]=4 2134 B10R1.17 COCCc1ccccc1 1P003C4E [0,1,0,0,0,1|2,0,0]=4 2135 B10R1.17 ClCCCc1ccccc1 1P003BI4 [0,1,0,0,0,1|2,0,0]=4 2136 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,1,0,0,0,1|2,0,0]=4 2137 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,1,0,0,0,1|2,0,0]=4 2138 B10R1.17 ClCCCc1ccncc1 1P00AKXB [0,1,0,0,0,1|2,0,0]=4 2139 B10R1.17 ClCCNc1ccccc1 1P01DXCM [0,1,0,0,0,1|2,0,0]=4 2140 B10R1.17 ClCCNc1ccccc1 1P0280C1 [0,1,0,0,0,1|2,0,0]=4 2141 B10R1.17 ClCCOc1ccccc1 1P00IBGC [0,1,0,0,0,1|2,0,0]=4 2142 B10R1.17 ClCCSc1ccccc1 1P003C3J [0,1,0,0,0,1|2,0,0]=4 2143 B10R1.17 ClCOCc1ccccc1 1P0034YY [0,1,0,0,0,1|2,0,0]=4 2144 B10R1.17 ClCSCc1ccccc1 1P003OKP [0,1,0,0,0,1|2,0,0]=4 2145 B10R1.17 ICCCc1ccccc1 1P003EWA [0,1,0,0,0,1|2,0,0]=4 2146 B10R1.17 ICCOc1ccccc1 1P00C6JI [0,1,0,0,0,1|2,0,0]=4 2147 B10R1.17 N#CCCc1ccccc1 1P003KCJ [0,1,0,0,0,1|1,0,1]=4 2148 B10R1.17 N#CCCc1ccccn1 1P00C65K [0,1,0,0,0,1|1,0,1]=4 2149 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [0,1,0,0,0,1|1,0,1]=4 2150 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [0,1,0,0,0,1|1,0,1]=4 2151 B10R1.17 NCC#Cc1cccnc1 1P00582X [0,1,0,0,0,1|1,0,1]=4 2152 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [0,1,0,0,0,1|1,0,1]=4 2153 B10R1.17 NCC=Cc1ccccn1 1P028BLD [0,1,0,0,0,1|1,0,1]=4 2154 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [0,1,0,0,0,1|1,0,1]=4 2155 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,1,0,0,0,1|1,0,0]=3 2156 B10R1.17 NCCCc1ccccn1 1P001OQL [0,1,0,0,0,1|1,0,0]=3 2157 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,1,0,0,0,1|1,0,0]=3 2158 B10R1.17 NCCCc1cccnc1 1P003IJD [0,1,0,0,0,1|1,0,0]=3 2159 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,1,0,0,0,1|1,0,0]=3 2160 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,1,0,0,0,1|1,0,0]=3 2161 B10R1.17 NCCCc1ccncc1 1P0030W7 [0,1,0,0,0,1|1,0,0]=3 2162 B10R1.17 NCCCc1ccncn1 1P028A28 [0,1,0,0,0,1|1,0,0]=3 2163 B10R1.17 NCCCc1ccnnc1 1P01DZHV [0,1,0,0,0,1|2,0,0]=4 2164 B10R1.17 NCCCc1cnccn1 1P01A20P [0,1,0,0,0,1|1,0,0]=3 2165 B10R1.17 NCCCc1cncnc1 1P0083W7 [0,1,0,0,0,1|2,0,0]=4 2166 B10R1.17 NCCCc1cncnc1 1P01C52M [0,1,0,0,0,1|2,0,0]=4 2167 B10R1.17 NCCCc1nccnc1 1P028JZE [0,1,0,0,0,1|1,0,0]=3 2168 B10R1.17 NCCNc1ccccc1 1P001X6L [0,1,0,0,0,1|1,0,0]=3 2169 B10R1.17 NCCNc1ccccn1 1P005U60 [0,1,0,0,0,1|1,0,0]=3 2170 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,1,0,0,0,1|1,0,0]=3 2171 B10R1.17 NCCNc1cccnn1 1P01AAKT [0,1,0,0,0,1|1,0,0]=3 2172 B10R1.17 NCCNc1cccnn1 1P01EKLI [0,1,0,0,0,1|1,0,0]=3 2173 B10R1.17 NCCNc1ccncc1 1P00ECDE [0,1,0,0,0,1|1,0,0]=3 2174 B10R1.17 NCCNc1cnccn1 1P019MGE [0,1,0,0,0,1|1,0,0]=3 2175 B10R1.17 NCCNc1ncccn1 1P00141N [0,1,0,0,0,1|1,0,0]=3 2176 B10R1.17 NCCNc1ncccn1 1P01B2V0 [0,1,0,0,0,1|1,0,0]=3 2177 B10R1.17 NCCOc1ccccc1 1P0021OC [0,1,0,0,0,1|1,0,0]=3 2178 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,1,0,0,0,1|1,0,0]=3 2179 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,1,0,0,0,1|1,0,0]=3 2180 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,1,0,0,0,1|1,0,0]=3 2181 B10R1.17 NCCOc1cccnc1 1P0032JP [0,1,0,0,0,1|1,0,0]=3 2182 B10R1.17 NCCOc1ccncc1 1P00DK84 [0,1,0,0,0,1|1,0,0]=3 2183 B10R1.17 NCCOc1ncccn1 1P024VFV [0,1,0,0,0,1|1,0,0]=3 2184 B10R1.17 NCCSc1ccccc1 1P002DUS [0,1,0,0,0,1|1,0,0]=3 2185 B10R1.17 NCCSc1ccccc1 1P00J3FE [0,1,0,0,0,1|1,0,0]=3 2186 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,1,0,0,0,1|1,0,0]=3 2187 B10R1.17 NCCSc1ncccn1 1P028BWD [0,1,0,0,0,1|1,0,0]=3 2188 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [0,1,0,0,0,1|1,0,1]=4 2189 B10R1.17 NC\C=C\c1ncccn1 1P028BEC [0,1,0,0,0,1|1,0,1]=4 2190 B10R1.17 NNCCc1ccccc1 1P001OVR [0,1,0,0,0,1|1,0,0]=3 2191 B10R1.17 NNCCc1ccccc1 1P00B63Y [0,1,0,0,0,1|1,0,0]=3 2192 B10R1.17 NNCCc1ccccc1 1P00DB0J [0,1,0,0,0,1|1,0,0]=3 2193 B10R1.17 NNCCc1ccccc1 1P00I9LM [0,1,0,0,0,1|1,0,0]=3 2194 B10R1.17 NNCCc1ccccn1 1P006VW3 [0,1,0,0,0,1|1,0,0]=3 2195 B10R1.17 NNCCc1ccccn1 1P01A12H [0,1,0,0,0,1|1,0,0]=3 2196 B10R1.17 NNCCc1ccncc1 1P01BA79 [0,1,0,0,0,1|1,0,0]=3 2197 B10R1.17 NOCCc1ccccc1 1P0071ZN [0,1,0,0,0,1|1,0,0]=3 2198 B10R1.17 O=CCCc1ccccc1 1P003RFA [0,1,0,0,0,1|2,0,0]=4 2199 B10R1.17 O=CCCc1ccccn1 1P00BGWO [0,1,0,0,0,1|2,0,0]=4 2200 B10R1.17 O=CCCc1cccnc1 1P00228Y [0,1,0,0,0,1|2,0,0]=4 2201 B10R1.17 O=CCCc1ccncc1 1P0075XB [0,1,0,0,0,1|2,0,0]=4 2202 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [0,1,0,0,0,1|2,0,0]=4 2203 B10R1.17 OCCCc1ccccc1 1P00170B [0,1,0,0,0,1|2,0,0]=4 2204 B10R1.17 OCCCc1ccccn1 1P002W8D [0,1,0,0,0,1|2,0,0]=4 2205 B10R1.17 OCCCc1ccccn1 1P003II3 [0,1,0,0,0,1|2,0,0]=4 2206 B10R1.17 OCCCc1cccnc1 1P002W8E [0,1,0,0,0,1|2,0,0]=4 2207 B10R1.17 OCCCc1ccncc1 1P002T2T [0,1,0,0,0,1|2,0,0]=4 2208 B10R1.17 OCCCc1ccncn1 1P007B3A [0,1,0,0,0,1|2,0,0]=4 2209 B10R1.17 OCCNc1ccccc1 1P00170A [0,1,0,0,0,1|2,0,0]=4 2210 B10R1.17 OCCNc1ccccn1 1P00GWAF [0,1,0,0,0,1|2,0,0]=4 2211 B10R1.17 OCCNc1ccccn1 1P01F2SN [0,1,0,0,0,1|2,0,0]=4 2212 B10R1.17 OCCNc1cccnc1 1P028RNR [0,1,0,0,0,1|2,0,0]=4 2213 B10R1.17 OCCNc1cccnn1 1P019UHH [0,1,0,0,0,1|2,0,0]=4 2214 B10R1.17 OCCNc1ccncc1 1P002G57 [0,1,0,0,0,1|2,0,0]=4 2215 B10R1.17 OCCNc1ccncn1 1P00AZKO [0,1,0,0,0,1|2,0,0]=4 2216 B10R1.17 OCCNc1cnccn1 1P01BUDW [0,1,0,0,0,1|2,0,0]=4 2217 B10R1.17 OCCNc1ncccn1 1P00AZOO [0,1,0,0,0,1|2,0,0]=4 2218 B10R1.17 OCCOc1ccccc1 1P0033W0 [0,1,0,0,0,1|2,0,0]=4 2219 B10R1.17 OCCOc1cccnc1 1P000QDL [0,1,0,0,0,1|2,0,0]=4 2220 B10R1.17 OCCSc1ccccc1 1P003FKS [0,1,0,0,0,1|2,0,0]=4 2221 B10R1.17 OCCSc1ccccn1 1P008PC7 [0,1,0,0,0,1|2,0,0]=4 2222 B10R1.17 OCCSc1ncccn1 1P01B5F9 [0,1,0,0,0,1|2,0,0]=4 2223 B10R1.17 ONCCc1ccccc1 1P00CZ3B [0,1,0,0,0,1|1,0,0]=3 2224 B10R1.17 SCCCc1ccccc1 1P002PQQ [0,1,0,0,0,1|2,0,0]=4 2225 B10R1.17 SCCCc1ccncc1 1P00CEFN [0,1,0,0,0,1|2,0,0]=4 2226 B10R1.17 SCCOc1ccccc1 1P0037FU [0,1,0,0,0,1|2,0,0]=4 2227 B10R1.17 SCCSc1ccccc1 1P00ALQK [0,1,0,0,0,1|2,0,0]=4 2228 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [0,1,0,0,0,1|1,0,1]=4 2229 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,1,0,0,0,1|2,0,0]=4 2230 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,1,0,0,0,1|2,0,0]=4 2231 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,1,0,0,0,1|2,0,0]=4 2232 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,1,0,0,0,1|2,0,0]=4 2233 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,1,0,0,0,1|1,0,0]=3 2234 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,1,0,0,0,1|2,0,0]=4 2235 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,1,0,0,0,1|2,0,0]=4 2236 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,1,0,0,0,1|1,0,0]=3 2237 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,1,0,0,0,1|2,0,0]=4 2238 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,1,0,0,0,1|2,0,0]=4 2239 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,1,0,0,0,1|1,0,0]=3 2240 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,1,0,0,0,1|2,0,0]=4 2241 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,1,0,0,0,1|1,0,0]=3 2242 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,1,0,0,0,1|2,0,0]=4 2243 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,1,0,0,0,1|2,0,0]=4 2244 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,1,0,0,0,1|2,0,0]=4 2245 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,1,0,0,0,1|1,0,1]=4 2246 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,1,0,0,0,1|1,0,1]=4 2247 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,1,0,0,0,1|1,0,1]=4 2248 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,1,0,0,0,1|1,0,1]=4 2249 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,1,0,0,0,1|1,0,1]=4 2250 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,1,0,0,0,1|1,0,1]=4 2251 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,1,0,0,0,1|1,0,1]=4 2252 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,1,0,0,0,1|1,0,1]=4 2253 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,1,0,0,0,1|1,0,1]=4 2254 B10R1.18 NC(=O)Cc1ncccn1 1P00171T [0,1,0,0,0,1|1,0,1]=4 2255 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,1,0,0,0,1|1,0,1]=4 2256 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,1,0,0,0,1|1,0,1]=4 2257 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,1,0,0,0,1|1,0,1]=4 2258 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,1,0,0,0,1|2,0,0]=4 2259 B10R1.14 BrCC(=O)c1ccc(s1)Br 1P007X7C [0,2,0,0,0,0|1,0,1]=4 2260 B10R1.14 CC(c1nc(cs1)C)CN 1P008VMB [0,2,0,0,0,0|1,0,0]=3 2261 B10R1.14 CC(c1ncc(s1)C)CN 1P01A7JW [0,2,0,0,0,0|1,0,0]=3 2262 B10R1.14 CC(n1cc(cn1)C)CN 1P008VWI [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.14 CC(n1cc(cn1)C)CN 1P00J27K [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.14 CC(n1ccc(n1)C)CN 1P00HEDB [0,2,0,0,0,0|2,0,0]=4 2265 B10R1.14 CCC(=O)c1ccc(s1)Br 1P00C149 [0,2,0,0,0,0|1,0,1]=4 2266 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [0,2,0,0,0,0|1,0,1]=4 2267 B10R1.14 CCC(=O)c1ccc(s1)Cl 1P007GM7 [0,2,0,0,0,0|1,0,1]=4 2268 B10R1.14 CCC(c1ccc(o1)C)N 1P00231Y [0,2,0,0,0,0|1,1,0]=4 2269 B10R1.14 CCC(c1ccc(s1)Cl)N 1P00I65J [0,2,0,0,0,0|1,0,0]=3 2270 B10R1.14 CCC(c1ncc(s1)C)N 1P01AKED [0,2,0,0,0,0|2,0,0]=4 2271 B10R1.14 CCC(c1ncc(s1)C)N 1P028Y83 [0,2,0,0,0,0|2,0,0]=4 2272 B10R1.14 CCC(c1ncc(s1)Cl)N 1P0289SM [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.14 CCC(c1scc(n1)C)N 1P01ABH1 [0,2,0,0,0,0|2,0,0]=4 2274 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00232F [0,2,0,0,0,0|1,1,0]=4 2275 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00DG8E [0,2,0,0,0,0|1,1,0]=4 2276 B10R1.14 CC[C@H](c1ccc(o1)C)N 1P00G42G [0,2,0,0,0,0|1,1,0]=4 2277 B10R1.14 CNC(c1ccc(s1)C)C 1P00HEUN [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.14 Cc1cc(sc1)C(=O)CCl 1P00DTR4 [0,2,0,0,0,0|1,0,1]=4 2279 B10R1.14 Cc1cc(sc1)C(=O)NN 1P00G22N [0,2,0,0,0,0|1,0,1]=4 2280 B10R1.14 Cc1ccc(o1)C(CN)N 1P01A3GH [0,2,0,0,0,0|0,1,0]=3 2281 B10R1.14 Cc1ccc(o1)C(CN)O 1P01AKYQ [0,2,0,0,0,0|0,1,0]=3 2282 B10R1.14 Cc1ccc(s1)C(=O)CBr 1P007X7D [0,2,0,0,0,0|1,0,1]=4 2283 B10R1.14 Cc1ccc(s1)C(=O)CCl 1P00CM4H [0,2,0,0,0,0|1,0,1]=4 2284 B10R1.14 Cc1ccc(s1)C(=O)CN 1P00014J [0,2,0,0,0,0|0,0,1]=3 2285 B10R1.14 Cc1ccc(s1)C(=O)NN 1P000TOG [0,2,0,0,0,0|1,0,1]=4 2286 B10R1.14 Cc1ccc(s1)C(CO)N 1P019TFN [0,2,0,0,0,0|1,0,0]=3 2287 B10R1.14 ClCC(=O)c1cc(cs1)Br 1P01Q2T1 [0,2,0,0,0,0|1,0,1]=4 2288 B10R1.14 ClCC(=O)c1ccc(s1)Cl 1P00I8OG [0,2,0,0,0,0|1,0,1]=4 2289 B10R1.14 Clc1ccc(s1)C(=O)CBr 1P00EDOW [0,2,0,0,0,0|1,0,1]=4 2290 B10R1.14 Cn1cc(nc1)C(CN)O 1P0289UR [0,2,0,0,0,0|2,0,0]=4 2291 B10R1.14 FCC(=O)c1ccc(s1)Br 1P027VNM [0,2,0,0,0,0|1,0,1]=4 2292 B10R1.14 NCC(=O)c1ccc(s1)Br 1P0087GX [0,2,0,0,0,0|0,0,1]=3 2293 B10R1.14 NCC(=O)c1ccc(s1)Cl 1P01BSLT [0,2,0,0,0,0|0,0,1]=3 2294 B10R1.14 NCC(c1ccc(s1)Cl)O 1P019T2T [0,2,0,0,0,0|0,0,0]=2 2295 B10R1.14 NCC(c1ccc(s1)Cl)O 1P0285BO [0,2,0,0,0,0|0,0,0]=2 2296 B10R1.14 NCC(c1csc(n1)C)N 1P01A5S8 [0,2,0,0,0,0|2,0,0]=4 2297 B10R1.14 NNC(=O)c1cc(cs1)Br 1P00E6GM [0,2,0,0,0,0|1,0,1]=4 2298 B10R1.14 NNC(=O)c1ccc(s1)Br 1P005X7H [0,2,0,0,0,0|1,0,1]=4 2299 B10R1.16 CCNCc1ccc(o1)C 1P00J2EX [0,2,0,0,0,0|1,1,0]=4 2300 B10R1.16 CCNCc1ccc(s1)Br 1P00IE14 [0,2,0,0,0,0|1,0,0]=3 2301 B10R1.16 CCNCc1ccc(s1)Br 1P028SU1 [0,2,0,0,0,0|1,0,0]=3 2302 B10R1.16 CCNCc1ccc(s1)Cl 1P00IE0B [0,2,0,0,0,0|1,0,0]=3 2303 B10R1.16 CCNCc1cnc(s1)Cl 1P008V8H [0,2,0,0,0,0|2,0,0]=4 2304 B10R1.16 CCOCc1cc(cs1)Br 1P00HBAW [0,2,0,0,0,0|1,0,0]=3 2305 B10R1.16 CNCCc1ncc(s1)C 1P028XVQ [0,2,0,0,0,0|1,0,0]=3 2306 B10R1.16 CNCCc1scc(n1)C 1P02917Q [0,2,0,0,0,0|1,0,0]=3 2307 B10R1.16 CNCCn1cc(cn1)Br 1P01C2KV [0,2,0,0,0,0|2,0,0]=4 2308 B10R1.16 CNCCn1ncc(c1)Br 1P028FJG [0,2,0,0,0,0|2,0,0]=4 2309 B10R1.16 CNCCn1ncc(c1)C 1P027Z4I [0,2,0,0,0,0|2,0,0]=4 2310 B10R1.16 COCCc1ccc(s1)Br 1P028LX1 [0,2,0,0,0,0|1,0,0]=3 2311 B10R1.16 COCCc1cnc(s1)N 1P01FJTM [0,2,0,0,0,0|2,0,0]=4 2312 B10R1.16 Cc1cc(on1)CCCN 1P028WEJ [0,2,0,0,0,0|1,1,0]=4 2313 B10R1.16 Cc1ccc(o1)CCC=O 1P007D0Q [0,2,0,0,0,0|1,1,0]=4 2314 B10R1.16 Cc1ccc(s1)CCC#N 1P0288HP [0,2,0,0,0,0|0,0,1]=3 2315 B10R1.16 Cc1ccc(s1)CCCN 1P00016G [0,2,0,0,0,0|0,0,0]=2 2316 B10R1.16 Cc1ccn(n1)CCCN 1P00EALH [0,2,0,0,0,0|2,0,0]=4 2317 B10R1.16 Cc1cn(nc1)CCCN 1P005ZHA [0,2,0,0,0,0|2,0,0]=4 2318 B10R1.16 Cc1csc(n1)CCCN 1P008W37 [0,2,0,0,0,0|1,0,0]=3 2319 B10R1.16 Cc1nc(cs1)CCCN 1P0285WD [0,2,0,0,0,0|2,0,0]=4 2320 B10R1.16 Cc1nnc(s1)CCCN 1P01FJTV [0,2,0,0,0,0|2,0,0]=4 2321 B10R1.16 Clc1ccc(s1)CN=C=O 1P019S9T [0,2,0,0,0,0|1,0,1]=4 2322 B10R1.16 Cn1ccc(n1)NCCN 1P01BFA5 [0,2,0,0,0,0|2,0,0]=4 2323 B10R1.16 NCCCc1c[nH]c(=S)[nH]1 1P028O8Z [0,2,0,0,0,0|2,0,0]=4 2324 B10R1.16 NCCCc1cc(no1)O 1P01FIBF [0,2,0,0,0,0|1,1,0]=4 2325 B10R1.16 NCCCc1ccc(s1)Cl 1P01B1O7 [0,2,0,0,0,0|0,0,0]=2 2326 B10R1.16 NCCCc1ccc(s1)Cl 1P027WSC [0,2,0,0,0,0|0,0,0]=2 2327 B10R1.16 NCCCc1ccn(n1)C 1P028VMI [0,2,0,0,0,0|2,0,0]=4 2328 B10R1.16 NCCCc1csc(n1)N 1P00J1OW [0,2,0,0,0,0|2,0,0]=4 2329 B10R1.16 NCCCc1ncn(c1)C 1P028KDF [0,2,0,0,0,0|2,0,0]=4 2330 B10R1.16 NCCCc1nnc(s1)N 1P00J2A2 [0,2,0,0,0,0|2,0,0]=4 2331 B10R1.16 NCCCc1scc(n1)C 1P00J1N3 [0,2,0,0,0,0|1,0,0]=3 2332 B10R1.16 NCCCn1cc(cn1)Cl 1P008VVF [0,2,0,0,0,0|2,0,0]=4 2333 B10R1.16 NCCNc1ccn(n1)C 1P01BFI7 [0,2,0,0,0,0|2,0,0]=4 2334 B10R1.16 NCCNc1scc(n1)C 1P01C2QI [0,2,0,0,0,0|1,0,0]=3 2335 B10R1.16 NCCSc1nnc(s1)C 1P00J1TP [0,2,0,0,0,0|2,0,0]=4 2336 B10R1.16 NCCSc1scc(n1)C 1P028BG1 [0,2,0,0,0,0|1,0,0]=3 2337 B10R1.16 NNCCc1csc(c1)Cl 1P02848F [0,2,0,0,0,0|2,0,0]=4 2338 B10R1.16 NNCCc1csc(c1)Cl 1P0284UW [0,2,0,0,0,0|2,0,0]=4 2339 B10R1.16 NNCCc1csc(n1)Cl 1P0284QA [0,2,0,0,0,0|2,0,0]=4 2340 B10R1.16 OCCCc1cc(cs1)Br 1P01BC6P [0,2,0,0,0,0|1,0,0]=3 2341 B10R1.16 [N-]=[N+]=NCc1ccc(s1)Br 1P01A22Q [0,2,0,0,0,0|1,0,1]=4 2342 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1P01A4BO [0,2,0,0,0,0|1,0,1]=4 2343 B10R1.54 CC(Cc1ccc(s1)Br)C 1P01C7XX [0,2,0,0,0,0|1,0,0]=3 2344 B10R1.54 CC(Cc1ccc(s1)C)N 1P01AKCX [0,2,0,0,0,0|0,0,0]=2 2345 B10R1.54 CC(Cc1ccc(s1)Cl)N 1P01E17F [0,2,0,0,0,0|0,0,0]=2 2346 B10R1.54 CC(Cc1ccc(s1)Cl)O 1P01A36V [0,2,0,0,0,0|1,0,0]=3 2347 B10R1.54 CC(Cc1cnc(s1)N)C 1P00CHGE [0,2,0,0,0,0|2,0,0]=4 2348 B10R1.54 CC(Cc1n[nH]c(c1)C)N 1P008SDW [0,2,0,0,0,0|2,0,0]=4 2349 B10R1.54 CC(Cc1ncn(c1)C)N 1P02835L [0,2,0,0,0,0|2,0,0]=4 2350 B10R1.54 CC(Cc1onc(c1)C)N 1P00945D [0,2,0,0,0,0|1,1,0]=4 2351 B10R1.54 CC(Cc1scc(n1)C)C 1P003BP8 [0,2,0,0,0,0|2,0,0]=4 2352 B10R1.54 CC(Cc1scc(n1)C)O 1P01DX9M [0,2,0,0,0,0|2,0,0]=4 2353 B10R1.54 CC(Cn1ccc(n1)C)N 1P00J71Q [0,2,0,0,0,0|2,0,0]=4 2354 B10R1.54 CC(Cn1ncc(c1)C)N 1P008SG3 [0,2,0,0,0,0|2,0,0]=4 2355 B10R1.54 CN(Cc1ccc(s1)Br)C 1P0283QC [0,2,0,0,0,0|2,0,0]=4 2356 B10R1.54 CN(Cc1ccc(s1)C)C 1P02235Y [0,2,0,0,0,0|2,0,0]=4 2357 B10R1.54 Cc1cc(sc1)CC(=O)O 1P01DVCZ [0,2,0,0,0,0|1,0,1]=4 2358 B10R1.54 Cc1ccc(s1)CC(=O)O 1P00FHIB [0,2,0,0,0,0|1,0,1]=4 2359 B10R1.54 Cc1csc(n1)CC(=O)N 1P001ZM2 [0,2,0,0,0,0|1,0,1]=4 2360 B10R1.54 Cc1csc(n1)CC(=S)N 1P019OST [0,2,0,0,0,0|1,0,1]=4 2361 B10R1.54 ClC(=O)Cc1ccc(s1)Br 1P01UBLD [0,2,0,0,0,0|1,0,1]=4 2362 B10R1.54 OC(=O)Cc1cc(cs1)Br 1P001T02 [0,2,0,0,0,0|1,0,1]=4 2363 B10R1.54 OC(=O)Cc1cc(cs1)Cl 1P01EKNJ [0,2,0,0,0,0|1,0,1]=4 2364 B10R1.54 OC(=O)Cc1ccc(s1)Br 1P00FI4L [0,2,0,0,0,0|1,0,1]=4 2365 B10R1.54 OC(=O)Cc1ccc(s1)Cl 1P00HV58 [0,2,0,0,0,0|1,0,1]=4 2366 B10R1.94 Cc1c(CCO)sc[n+]1C 1P001U91 [0,2,0,0,0,0|2,0,0]=4 2367 B10R1.94 NCCc1ncn(c1Br)C 1P01EM15 [0,2,0,0,0,0|2,0,0]=4 2368 B10R1.94 NCCn1ncc(c1C)Cl 1P028JVU [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.96 CCCc1ccc(o1)C=O 1P001KVP [0,2,0,0,0,0|1,1,0]=4 2370 B10R1.96 CCCc1ccc(s1)C=O 1P00C0HA [0,2,0,0,0,0|1,0,0]=3 2371 B10R1.96 CCCc1ncc(s1)C=O 1P00F4TQ [0,2,0,0,0,0|2,0,0]=4 2372 B10R1.96 CCCc1scc(n1)CCl 1P0077ES [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.96 CCCc1scc(n1)CN 1P00J29J [0,2,0,0,0,0|2,0,0]=4 2374 B10R1.96 CNCc1cc(cs1)C#N 1P01BJWJ [0,2,0,0,0,0|2,0,0]=4 2375 B10R1.96 COCc1ccc(s1)C=O 1P00ABGA [0,2,0,0,0,0|2,0,0]=4 2376 B10R1.96 NCCc1[nH]cc(n1)CO 1P028C0Z [0,2,0,0,0,0|2,0,0]=4 2377 B10R1.96 NCCc1ccc(o1)CO 1P027V2M [0,2,0,0,0,0|0,1,0]=3 2378 B10R1.96 NCCc1csc(n1)CC 1P00J296 [0,2,0,0,0,0|2,0,0]=4 2379 B10R1.96 NCCc1csc(n1)CC 1P01A9SW [0,2,0,0,0,0|2,0,0]=4 2380 B10R1.96 NCCc1ncc(s1)CC 1P019SUZ [0,2,0,0,0,0|1,0,0]=3 2381 B10R1.96 NCCc1nnc(s1)CO 1P028ECR [0,2,0,0,0,0|2,0,0]=4 2382 B10R1.96 NCCc1onc(c1)CC 1P0281CG [0,2,0,0,0,0|1,1,0]=4 2383 B10R1.96 NCCc1scc(n1)CC 1P00J1UD [0,2,0,0,0,0|1,0,0]=3 2384 B10R1.96 NCCn1cc(cn1)C#N 1P028PD1 [0,2,0,0,0,0|2,0,0]=4 2385 B10R1.96 NCCn1ncc(c1)CC 1P028S2N [0,2,0,0,0,0|2,0,0]=4 2386 B10R1.130 Cc1cc(nn1CCN)C 1P00391C [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.130 Cc1cc(nn1CCN)C 1P00J3RG [0,2,0,0,0,0|2,0,0]=4 2388 B10R1.130 Cc1cc(nn1CCN)C 1P01AQPB [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.130 Cc1cn(nc1CCN)C 1P01BO55 [0,2,0,0,0,0|2,0,0]=4 2390 B10R1.130 Cc1nc(sc1CCN)C 1P007KCV [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.130 Cc1nc(sc1CCO)C 1P01C86A [0,2,0,0,0,0|2,0,0]=4 2392 B10R1.130 Cc1oc(nc1CCN)C 1P01A3HJ [0,2,0,0,0,0|2,0,0]=4 2393 B10R1.130 Cc1sc(cc1CCN)C 1P028KBK [0,2,0,0,0,0|2,0,0]=4 2394 B10R1.130 NCCc1cc(sc1Cl)Cl 1P0288OH [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.130 NCCc1cc(sc1Cl)Cl 1P028ZET [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.130 NCCc1nc(sc1Cl)Cl 1P028C9L [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.130 NCCc1sc(nc1C)N 1P00A47S [0,2,0,0,0,0|1,0,0]=3 2398 B10R1.130 NCCc1sc(nc1C)N 1P01DTW3 [0,2,0,0,0,0|1,0,0]=3 2399 B10R1.130 NCCn1nc(cc1C)C 1P00J3WF [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.131 Cn1nc(cc1O)CCN 1P01A2ZG [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.131 NCCc1nn(c(c1)C)C 1P01BNU6 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.131 NCCc1sc(c(n1)C)C 1P00H5OQ [0,2,0,0,0,0|1,0,0]=3 2403 B10R1.131 NCCc1sc(c(n1)C)C 1P00J1UC [0,2,0,0,0,0|1,0,0]=3 2404 B10R1.131 NCCn1cc(c(n1)C)Cl 1P00JGGS [0,2,0,0,0,0|2,0,0]=4 2405 B10R1.131 OCCc1sc(c(n1)C)C 1P01AV8Z [0,2,0,0,0,0|2,0,0]=4 2406 B10R1.6 CCC(c1nccs1)(N)C 1P01AKMC [0,2,0,0,0,0|2,0,0]=4 2407 B10R1.6 CCC(c1nccs1)(N)C 1P01AL0O [0,2,0,0,0,0|2,0,0]=4 2408 B10R1.6 NCC(c1[nH]cnc1)(C)C 1P028PH3 [0,2,0,0,0,0|2,0,0]=4 2409 B10R1.6 NCC(c1ccco1)(O)C 1P019Q7F [0,2,0,0,0,0|0,1,0]=3 2410 B10R1.6 NCC(c1cccs1)(C)C 1P00D58A [0,2,0,0,0,0|0,0,0]=2 2411 B10R1.6 NCC(c1cccs1)(C)C 1P028BJ0 [0,2,0,0,0,0|0,0,0]=2 2412 B10R1.6 NCC(c1cccs1)(O)C 1P0193H9 [0,2,0,0,0,0|0,0,0]=2 2413 B10R1.6 NCC(c1cscc1)(C)C 1P028DNT [0,2,0,0,0,0|2,0,0]=4 2414 B10R1.6 NCC(c1cscc1)(O)C 1P01AKWV [0,2,0,0,0,0|2,0,0]=4 2415 B10R1.6 NCC(n1cccn1)(C)C 1P01B7H5 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.6 OCC(c1nccs1)(F)F 1P01B1T3 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.9 CCC(c1nccs1)C#N 1P028U3E [0,2,0,0,0,0|2,0,0]=4 2418 B10R1.9 CCC(n1cccn1)CN 1P00HEE6 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.11 C=CCC(c1ccco1)O 1P00EE7O [0,2,0,0,0,0|1,1,0]=4 2420 B10R1.11 CCCC(=O)c1ccco1 1P003DB6 [0,2,0,0,0,0|1,1,0]=4 2421 B10R1.11 CCCC(=O)c1cccs1 1P003I8J [0,2,0,0,0,0|1,0,0]=3 2422 B10R1.11 CCCC(c1ccco1)N 1P01ATAY [0,2,0,0,0,0|1,1,0]=4 2423 B10R1.11 CCCC(c1cccs1)N 1P00DD2X [0,2,0,0,0,0|1,0,0]=3 2424 B10R1.11 CCCC(c1cccs1)N 1P00J2EV [0,2,0,0,0,0|1,0,0]=3 2425 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [0,2,0,0,0,0|1,0,0]=3 2426 B10R1.11 CCCC(c1nccs1)O 1P01EMVF [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.11 CCOC(=N)c1cccs1 1P00IA7Z [0,2,0,0,0,0|1,0,1]=4 2428 B10R1.11 CCOC(=O)c1cccs1 1P003QM3 [0,2,0,0,0,0|1,0,1]=4 2429 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,2,0,0,0,0|0,0,0]=2 2430 B10R1.11 CNCC(c1cscc1)O 1P024MCV [0,2,0,0,0,0|2,0,0]=4 2431 B10R1.11 CNCC(c1nccs1)C 1P01A76F [0,2,0,0,0,0|1,0,0]=3 2432 B10R1.11 COCC(c1ccco1)N 1P019TYB [0,2,0,0,0,0|1,1,0]=4 2433 B10R1.11 COCC(c1nccs1)O 1P01BFRY [0,2,0,0,0,0|2,0,0]=4 2434 B10R1.11 CONC(c1cccs1)C 1P01ANWY [0,2,0,0,0,0|2,0,0]=4 2435 B10R1.11 ClCCC(=O)c1cccs1 1P00CBGQ [0,2,0,0,0,0|1,0,0]=3 2436 B10R1.11 N#CCC(=O)c1cccs1 1P003BQH [0,2,0,0,0,0|0,0,2]=4 2437 B10R1.11 N#CCC(c1ccco1)O 1P01BNU5 [0,2,0,0,0,0|0,1,1]=4 2438 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,2,0,0,0,0|0,0,0]=2 2439 B10R1.11 OCCC(c1ccco1)N 1P019ZEL [0,2,0,0,0,0|1,1,0]=4 2440 B10R1.11 OCCC(c1cccs1)N 1P00FI10 [0,2,0,0,0,0|1,0,0]=3 2441 B10R1.11 OCCC(c1scnc1)N 1P01EMW0 [0,2,0,0,0,0|2,0,0]=4 2442 B10R1.11 OCC[C@@H](c1scnc1)N 1P0290UP [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.11 OCC[C@H](c1nccs1)N 1P028VZ3 [0,2,0,0,0,0|2,0,0]=4 2444 B10R1.11 OCC[C@H](c1scnc1)N 1P02917T [0,2,0,0,0,0|2,0,0]=4 2445 B10R1.11 S=C=NC(c1cccs1)C 1P01AA2I [0,2,0,0,0,0|1,0,1]=4 2446 B10R1.23 BrC(C(=O)c1cccs1)Br 1P005PCQ [0,2,0,0,0,0|1,0,1]=4 2447 B10R1.23 CC(C(=O)c1cccs1)Br 1P005AFP [0,2,0,0,0,0|1,0,1]=4 2448 B10R1.23 CC(C(=O)c1cccs1)C 1P00C8SW [0,2,0,0,0,0|1,0,1]=4 2449 B10R1.23 CC(C(c1cccs1)N)C 1P00D9Y8 [0,2,0,0,0,0|1,0,0]=3 2450 B10R1.23 CC(C(c1nccs1)Cl)C 1P027Y6B [0,2,0,0,0,0|2,0,0]=4 2451 B10R1.23 CC(C(c1nccs1)N)C 1P01XBXS [0,2,0,0,0,0|2,0,0]=4 2452 B10R1.23 CC(C(n1cccn1)C)N 1P01ABZR [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.23 FC(C(=O)c1cccs1)F 1P00BQGM [0,2,0,0,0,0|1,0,1]=4 2454 B10R1.23 FC(C(c1ccco1)N)F 1P027Z5O [0,2,0,0,0,0|1,1,0]=4 2455 B10R1.23 FC([C@@H](c1ccco1)N)F 1P028KYR [0,2,0,0,0,0|1,1,0]=4 2456 B10R1.23 FC([C@@H](c1cccs1)N)F 1P027U79 [0,2,0,0,0,0|1,0,0]=3 2457 B10R1.23 FC([C@H](c1ccco1)N)F 1P028L4I [0,2,0,0,0,0|1,1,0]=4 2458 B10R1.23 NC(=O)C(=O)c1cccs1 1P028MOD [0,2,0,0,0,0|0,0,2]=4 2459 B10R1.23 OC(=O)C(c1cccs1)C 1P00E560 [0,2,0,0,0,0|1,0,1]=4 2460 B10R1.23 OC(=O)C(c1cccs1)N 1P002LP1 [0,2,0,0,0,0|1,0,1]=4 2461 B10R1.23 OC(=O)[C@@H](c1cccs1)N 1P00I8RO [0,2,0,0,0,0|1,0,1]=4 2462 B10R1.23 OC(=O)[C@H](c1cccs1)N 1P003CPX [0,2,0,0,0,0|1,0,1]=4 2463 B10R1.149 BrCC(=O)c1sccc1Br 1P008LAG [0,2,0,0,0,0|1,0,1]=4 2464 B10R1.149 CCC(=O)c1sccc1Cl 1P01BICY [0,2,0,0,0,0|1,0,1]=4 2465 B10R1.149 CCC(c1sccc1C)N 1P01ASWS [0,2,0,0,0,0|1,0,0]=3 2466 B10R1.149 Cc1ncsc1C(=O)CN 1P028526 [0,2,0,0,0,0|1,0,1]=4 2467 B10R1.149 ClCC(=O)c1sccc1Br 1P01AHHU [0,2,0,0,0,0|1,0,1]=4 2468 B10R1.149 ClCC(=O)c1sccc1C 1P00DHWU [0,2,0,0,0,0|1,0,1]=4 2469 B10R1.149 ClCC(=O)c1sccc1Cl 1P01DX0I [0,2,0,0,0,0|1,0,1]=4 2470 B10R1.149 Cn1nccc1C(CN)O 1P01C829 [0,2,0,0,0,0|2,0,0]=4 2471 B10R1.149 NCC(=O)c1sccc1Br 1P027X6G [0,2,0,0,0,0|0,0,1]=3 2472 B10R1.149 NCC(c1cccn1C)O 1P01AL3B [0,2,0,0,0,0|1,0,0]=3 2473 B10R1.149 NCC(c1nccn1C)O 1P00J1IN [0,2,0,0,0,0|2,0,0]=4 2474 B10R1.149 NNC(=O)c1sccc1C 1P00C8X8 [0,2,0,0,0,0|1,0,1]=4 2475 B10R1.149 NNC(=O)c1sccc1I 1P027VYX [0,2,0,0,0,0|1,0,1]=4 2476 B10R1.149 OCC(c1sccc1C)N 1P019ULM [0,2,0,0,0,0|1,0,0]=3 2477 B10R1.21 C#CCNCc1ccco1 1P009PJT [0,2,0,0,0,0|1,1,0]=4 2478 B10R1.21 C#CCOCc1nccs1 1P027V6O [0,2,0,0,0,0|2,0,0]=4 2479 B10R1.21 C=CCNCc1cccs1 1P00JU44 [0,2,0,0,0,0|1,0,0]=3 2480 B10R1.21 CCCCCc1ccco1 1P003IAW [0,2,0,0,0,0|1,1,0]=4 2481 B10R1.21 CCCCCc1cccs1 1P003BQ3 [0,2,0,0,0,0|1,0,0]=3 2482 B10R1.21 CCCNCc1ccco1 1P00C926 [0,2,0,0,0,0|1,1,0]=4 2483 B10R1.21 CCNCCc1cccs1 1P019MCF [0,2,0,0,0,0|0,0,0]=2 2484 B10R1.21 CCNCCc1nccs1 1P01A2XJ [0,2,0,0,0,0|1,0,0]=3 2485 B10R1.21 CCNCCn1cccn1 1P003TG6 [0,2,0,0,0,0|2,0,0]=4 2486 B10R1.21 CNCCCc1ccco1 1P001ZKU [0,2,0,0,0,0|0,1,0]=3 2487 B10R1.21 CNCCCn1cccn1 1P00037Z [0,2,0,0,0,0|2,0,0]=4 2488 B10R1.21 ClCCNCc1cccs1 1P027UDL [0,2,0,0,0,0|1,0,0]=3 2489 B10R1.21 N#CCSCc1ccco1 1P019IUJ [0,2,0,0,0,0|0,1,1]=4 2490 B10R1.21 NCCCCc1c[nH]cn1 1P028BZZ [0,2,0,0,0,0|2,0,0]=4 2491 B10R1.21 NCCCCc1cccs1 1P028R9O [0,2,0,0,0,0|0,0,0]=2 2492 B10R1.21 NCCCCc1ncc[nH]1 1P01AMSS [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.21 NCCCCc1nccs1 1P01AAIJ [0,2,0,0,0,0|1,0,0]=3 2494 B10R1.21 NCCCSc1nccs1 1P01AIFR [0,2,0,0,0,0|1,0,0]=3 2495 B10R1.21 NCCSCc1ccco1 1P007AJD [0,2,0,0,0,0|0,1,0]=3 2496 B10R1.21 NCCSCc1cscc1 1P019P7M [0,2,0,0,0,0|2,0,0]=4 2497 B10R1.21 NCCSCc1cscc1 1P019Y7Y [0,2,0,0,0,0|2,0,0]=4 2498 B10R1.21 O=C=NCCc1ccco1 1P01AL6V [0,2,0,0,0,0|0,1,1]=4 2499 B10R1.21 O=C=NCCc1cccs1 1P00EAAP [0,2,0,0,0,0|0,0,1]=3 2500 B10R1.21 OCCCCc1nccs1 1P01B9VS [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.21 OCCNCc1ccco1 1P00DD4H [0,2,0,0,0,0|1,1,0]=4 2502 B10R1.21 OCCNCc1cccs1 1P006GE7 [0,2,0,0,0,0|1,0,0]=3 2503 B10R1.21 OCCSCc1nccs1 1P01BV4O [0,2,0,0,0,0|2,0,0]=4 2504 B10R1.21 S=C=NCCc1cccs1 1P00CI5R [0,2,0,0,0,0|0,0,1]=3 2505 B10R1.21 SCCNCc1ccco1 1P01BFVD [0,2,0,0,0,0|1,1,0]=4 2506 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [0,2,0,0,0,0|1,0,0]=3 2507 B10R1.27 CCC(=O)Cc1ccco1 1P00C8VQ [0,2,0,0,0,0|1,1,0]=4 2508 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,2,0,0,0,0|1,0,0]=3 2509 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,2,0,0,0,0|1,0,0]=3 2511 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.27 COC(=O)Cc1cccs1 1P003S5W [0,2,0,0,0,0|1,0,1]=4 2513 B10R1.27 NCC(=O)Nc1nccs1 1P00J2EN [0,2,0,0,0,0|1,0,1]=4 2514 B10R1.27 NCC(=O)Nc1nccs1 1P019X28 [0,2,0,0,0,0|1,0,1]=4 2515 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,2,0,0,0,0|0,0,0]=2 2516 B10R1.27 NCC(Cn1cccn1)C 1P00JFBL [0,2,0,0,0,0|2,0,0]=4 2517 B10R1.27 NCC(Cn1cccn1)O 1P01DVER [0,2,0,0,0,0|2,0,0]=4 2518 B10R1.27 NNC(=O)Cc1cccs1 1P00C8NG [0,2,0,0,0,0|0,0,1]=3 2519 B10R1.27 OCC(Cc1ccco1)N 1P028BPO [0,2,0,0,0,0|0,1,0]=3 2520 B10R1.27 OCC(Cc1cccs1)N 1P01EMU8 [0,2,0,0,0,0|0,0,0]=2 2521 B10R1.27 OCC(Cc1cocc1)N 1P0288V3 [0,2,0,0,0,0|2,0,0]=4 2522 B10R1.27 OCC(Cc1nccs1)N 1P01EMWK [0,2,0,0,0,0|1,0,0]=3 2523 B10R1.27 OCC(Cc1scnc1)N 1P01BRZS [0,2,0,0,0,0|1,0,0]=3 2524 B10R1.27 OC[C@H](Cc1nc[nH]c1)N 1P001ROW [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.27 O\N=C(\Cc1cccs1)/N 1P00EJLI [0,2,0,0,0,0|0,0,1]=3 2526 B10R1.29 CCNCc1occc1C 1P01C3KN [0,2,0,0,0,0|1,1,0]=4 2527 B10R1.29 CNCCc1ccnn1C 1P027YY8 [0,2,0,0,0,0|2,0,0]=4 2528 B10R1.29 Cc1ncsc1CCCBr 1P028AQR [0,2,0,0,0,0|2,0,0]=4 2529 B10R1.29 Cc1ncsc1CCCCl 1P02917C [0,2,0,0,0,0|2,0,0]=4 2530 B10R1.29 Cc1ncsc1CCCN 1P00I6MO [0,2,0,0,0,0|1,0,0]=3 2531 B10R1.29 Cc1ncsc1CCCN 1P00J1HA [0,2,0,0,0,0|1,0,0]=3 2532 B10R1.29 Cc1ncsc1CCCO 1P00F4GG [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.29 Cn1nccc1CCCN 1P01DVPG [0,2,0,0,0,0|2,0,0]=4 2534 B10R1.29 NCCCc1ccnn1C 1P028JTN [0,2,0,0,0,0|2,0,0]=4 2535 B10R1.29 NCCCn1nccc1C 1P00DGDF [0,2,0,0,0,0|2,0,0]=4 2536 B10R1.29 NCCNc1ccnn1C 1P01BE37 [0,2,0,0,0,0|2,0,0]=4 2537 B10R1.29 NCCSc1nccn1C 1P007KGK [0,2,0,0,0,0|2,0,0]=4 2538 B10R1.29 NCCSc1nccn1C 1P00J1E8 [0,2,0,0,0,0|2,0,0]=4 2539 B10R1.66 CC(=O)CCc1ccco1 1P00667T [0,2,0,0,0,0|1,1,0]=4 2540 B10R1.66 CC(=O)CCc1nccs1 1P00H5XS [0,2,0,0,0,0|2,0,0]=4 2541 B10R1.66 CC(=O)NCc1cccs1 1P00CBVA [0,2,0,0,0,0|1,0,1]=4 2542 B10R1.66 CC(CCc1ccco1)N 1P005SKI [0,2,0,0,0,0|0,1,0]=3 2543 B10R1.66 CC(CCn1cccn1)N 1P006CY1 [0,2,0,0,0,0|2,0,0]=4 2544 B10R1.66 CC(NCc1ccco1)C 1P00APVX [0,2,0,0,0,0|1,1,0]=4 2545 B10R1.66 CC(NCc1cccs1)C 1P00JTSQ [0,2,0,0,0,0|1,0,0]=3 2546 B10R1.66 CC(SCc1ccco1)C 1P002HAE [0,2,0,0,0,0|1,1,0]=4 2547 B10R1.66 CN(CCc1c[nH]cc1)C 1P028ANN [0,2,0,0,0,0|2,0,0]=4 2548 B10R1.66 NC(=N)NCc1ccco1 1P01EKJD [0,2,0,0,0,0|0,1,1]=4 2549 B10R1.66 NC(=O)NCc1ccco1 1P00EWL0 [0,2,0,0,0,0|0,1,1]=4 2550 B10R1.66 NC(=O)NCc1cccs1 1P00IZ7R [0,2,0,0,0,0|0,0,1]=3 2551 B10R1.66 NC(=O)NCc1nccs1 1P01AHUC [0,2,0,0,0,0|1,0,1]=4 2552 B10R1.66 NC(=S)NCc1ccco1 1P00E9TM [0,2,0,0,0,0|0,1,1]=4 2553 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,2,0,0,0,0|2,0,0]=4 2554 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,2,0,0,0,0|1,1,0]=4 2555 B10R1.66 OC(=O)CCc1cccs1 1P00IB02 [0,2,0,0,0,0|1,0,0]=3 2556 B10R1.66 OC(=O)CCc1cncs1 1P00645C [0,2,0,0,0,0|2,0,0]=4 2557 B10R1.66 OC(=O)CCc1cncs1 1P01AMID [0,2,0,0,0,0|2,0,0]=4 2558 B10R1.66 OC(=O)CCc1nccs1 1P001JI3 [0,2,0,0,0,0|2,0,0]=4 2559 B10R1.66 OC(=O)CSc1cccs1 1P005EK9 [0,2,0,0,0,0|1,0,1]=4 2560 B10R1.64 CC(Cc1cccn1C)N 1P01C0S6 [0,2,0,0,0,0|1,0,0]=3 2561 B10R1.64 CC(Cc1ccnn1C)N 1P00HVJC [0,2,0,0,0,0|2,0,0]=4 2562 B10R1.64 CC(Cc1cncn1C)N 1P020LME [0,2,0,0,0,0|2,0,0]=4 2563 B10R1.64 CC(Cc1nccn1C)N 1P01DXAR [0,2,0,0,0,0|2,0,0]=4 2564 B10R1.64 C[C@@H](Cc1ccnn1C)N 1P028GDL [0,2,0,0,0,0|2,0,0]=4 2565 B10R1.64 C[C@H](Cc1ccnn1C)N 1P027ZBB [0,2,0,0,0,0|2,0,0]=4 2566 B10R1.64 OC(=O)Cc1sccc1Br 1P01A2G9 [0,2,0,0,0,0|1,0,1]=4 2567 B10R1.64 OC(=O)Cc1sccc1C 1P01BHON [0,2,0,0,0,0|1,0,1]=4 2568 B10R1.64 OC(=O)Cc1sccc1Cl 1P0291Q0 [0,2,0,0,0,0|1,0,1]=4 2569 B10R1.281 CC(Cc1ccc[nH]1)(N)C 1P02908Q [0,2,0,0,0,0|1,0,0]=3 2570 B10R1.281 FC(Cc1nccs1)(F)F 1P01FLF6 [0,2,0,0,0,0|2,0,0]=4 2571 B10R1.281 FS(=O)(=O)Cc1cccs1 1P01EJDB [0,2,0,0,0,0|2,0,0]=4 2572 B10R1.281 F[B-](Cc1cccs1)(F)F 1P00GV5N [0,2,0,0,0,0|2,0,0]=4 2573 B10R1.281 NS(=O)(=O)Cc1ccco1 1P028JWH [0,2,0,0,0,0|1,1,0]=4 2574 B10R1.281 NS(=O)(=O)Cc1cccs1 1P01EJE9 [0,2,0,0,0,0|1,0,0]=3 2575 B10R1.281 [O-]S(=O)(=O)Cc1cccs1 1P01AM4O [0,2,0,0,0,0|2,0,0]=4 2576 B10R1.5 NCCc1cccn1CC 1P028KLI [0,2,0,0,0,0|1,0,0]=3 2577 B10R1.5 NCCc1ocnc1CO 1P0291Y4 [0,2,0,0,0,0|1,1,0]=4 2578 B10R1.187 Cn1ncc(c1CCN)Br 1P008V73 [0,2,0,0,0,0|2,0,0]=4 2579 B10R1.187 NCCN1C(=O)C=CC1=O 1P001EIZ [0,2,0,0,0,0|2,0,0]=4 2580 B10R1.187 NCCN1C(=O)C=CC1=O 1P0071BQ [0,2,0,0,0,0|2,0,0]=4 2581 B8R1.2 NCc1ccccc1 1P0000MX [0,0,1,1,0,0|1,0,1]=4 2582 B8R1.2 NCc1ccccc1 1P003OLG [0,0,1,1,0,0|1,0,1]=4 2583 B8R1.2 NCc1ccccc1 1P00BYUK [0,0,1,1,0,0|1,0,1]=4 2584 B8R1.2 NCc1ccccc1 1P00DH5Y [0,0,1,1,0,0|1,0,1]=4 2585 B8R1.2 NCc1ccccn1 1P003IDS [0,0,1,1,0,0|1,0,1]=4 2586 B8R1.2 NCc1cccnc1 1P003UIR [0,0,1,1,0,0|1,0,1]=4 2587 B8R1.2 NCc1cccnc1 1P01XEWA [0,0,1,1,0,0|1,0,1]=4 2588 B8R1.22 O=C1NCCC=CC1 1P01DWJ5 [0,0,1,1,0,0|0,1,1]=4 2589 B8R1.22 O=C1NCCCC=C1 1P00BVP9 [0,0,1,1,0,0|0,1,1]=4 2590 B8R1.4 CC1=CC(=N)NCC1 1P028G47 [0,0,1,1,0,0|2,0,0]=4 2591 B8R1.4 CC1=CC(=O)NCC1 1P028DZG [0,0,1,1,0,0|2,0,0]=4 2592 B8R1.4 Nc1cccc(c1)S 1P002M3F [0,0,1,1,0,0|0,0,2]=4 2593 B8R2.55 C1=CC2(C=C1)CC2 1P003UVQ [1,0,0,1,0,0|1,0,1]=4 2594 B10R2.6 C1CC1c2ccccc2 1P008EMK [0,0,0,1,0,1|2,0,0]=4 2595 B10R2.6 C1CC1c2ccncc2 1P01EKJC [0,0,0,1,0,1|2,0,0]=4 2596 B10R2.6 N1CC1c2ccccc2 1P001MKW [0,0,0,1,0,1|1,0,0]=3 2597 B10R2.6 O1CC1c2ccccc2 1P003632 [0,0,0,1,0,1|2,0,0]=4 2598 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [0,0,0,1,0,1|2,0,0]=4 2599 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [0,0,0,1,0,1|2,0,0]=4 2600 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [0,0,0,1,0,1|2,0,0]=4 2601 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [0,0,0,1,0,1|2,0,0]=4 2602 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [0,0,0,1,0,1|2,0,0]=4 2603 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [0,0,0,1,0,1|2,0,0]=4 2604 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [0,0,0,1,0,1|1,0,0]=3 2605 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [0,0,0,1,0,1|1,0,0]=3 2606 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [0,0,0,1,0,1|1,0,0]=3 2607 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [0,0,0,1,0,1|1,0,0]=3 2608 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [0,0,0,1,0,1|1,0,0]=3 2609 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [0,0,0,1,0,1|1,0,0]=3 2610 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [0,0,0,1,0,1|2,0,0]=4 2611 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [0,0,0,1,0,1|2,0,0]=4 2612 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [0,0,0,1,0,1|1,0,0]=3 2613 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [0,0,0,1,0,1|1,0,0]=3 2614 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [0,0,0,1,0,1|1,0,0]=3 2615 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [0,0,0,1,0,1|1,0,0]=3 2616 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [0,0,0,1,0,1|2,0,0]=4 2617 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [0,0,0,1,0,1|2,0,0]=4 2618 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [0,0,0,1,0,1|1,0,0]=3 2619 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [0,0,0,1,0,1|2,0,0]=4 2620 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [0,0,0,1,0,1|2,0,0]=4 2621 B10R2.320 NC1Cc2c1cccc2 1P002M98 [0,0,0,1,0,1|1,0,0]=3 2622 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [0,0,0,1,0,1|2,0,0]=4 2623 B10R2.2 Brc1sc2c(c1)CCC2 1P023PJ2 [0,1,0,1,0,0|1,0,0]=3 2624 B10R2.2 Brc1sc2c(n1)CCC2 1P0084EX [0,1,0,1,0,0|2,0,0]=4 2625 B10R2.2 Cc1cc2n(n1)CCN2 1P01EJGU [0,1,0,1,0,0|2,0,0]=4 2626 B10R2.2 Clc1sc2c(n1)CCC2 1P00BTAG [0,1,0,1,0,0|2,0,0]=4 2627 B10R2.2 NC1Cc2c(C1)csc2 1P028JLQ [0,1,0,1,0,0|2,0,0]=4 2628 B10R2.2 NC1Cn2c(C1)cnc2 1P01AV0G [0,1,0,1,0,0|2,0,0]=4 2629 B10R2.2 Nc1nc2c(s1)scc2 1P01AJSF [0,1,0,1,0,0|1,0,1]=4 2630 B10R2.2 Nc1sc2c(n1)CCC2 1P006UA1 [0,1,0,1,0,0|2,0,0]=4 2631 B10R2.2 Nc1sc2c(n1)CCC2 1P00G2WQ [0,1,0,1,0,0|2,0,0]=4 2632 B10R2.2 Nc1sc2c(n1)CCC2 1P01FJXE [0,1,0,1,0,0|2,0,0]=4 2633 B10R2.2 Nc1sc2c(n1)scc2 1P01ENLW [0,1,0,1,0,0|1,0,1]=4 2634 B10R2.2 O=c1[nH]c2c([nH]1)ccs2 1P00FHNC [0,1,0,1,0,0|1,0,1]=4 2635 B10R2.2 O=c1[nH]c2c(s1)CCC2 1P01AB7A [0,1,0,1,0,0|2,0,0]=4 2636 B10R2.14 Brc1ccc(s1)C2CC2 1P01A263 [0,1,0,1,0,0|1,0,0]=3 2637 B10R2.14 Brc1cnc(s1)C2CC2 1P00930B [0,1,0,1,0,0|2,0,0]=4 2638 B10R2.14 Brc1csc(n1)C2CC2 1P0092Z9 [0,1,0,1,0,0|2,0,0]=4 2639 B10R2.14 Brc1ncc(s1)C2CC2 1P000HRA [0,1,0,1,0,0|2,0,0]=4 2640 B10R2.14 N=c1[nH]cc(s1)C2CC2 1P00EKH9 [0,1,0,1,0,0|2,0,0]=4 2641 B10R2.14 Nc1nsc(c1)C2CC2 1P0293TF [0,1,0,1,0,0|2,0,0]=4 2642 B10R2.32 Brc1cnn2c1NCC2 1P000CHS [0,1,0,1,0,0|2,0,0]=4 2643 B10R2.32 Brc1cnn2c1NCC2 1P01AV8W [0,1,0,1,0,0|2,0,0]=4 2644 B10R2.32 C1CC(=O)c2c1[nH]cc2 1P027Q2J [0,1,0,1,0,0|2,0,0]=4 2645 B10R2.32 C1CC(=O)c2c1scc2 1P00EDFN [0,1,0,1,0,0|1,0,0]=3 2646 B10R2.32 Clc1cnn2c1NCC2 1P0288NZ [0,1,0,1,0,0|2,0,0]=4 2647 B10R2.32 Ic1n[nH]c2c1scc2 1P01A21G [0,1,0,1,0,0|1,0,1]=4 2648 B10R2.32 NC1CCc2c1cn[nH]2 1P02932D [0,1,0,1,0,0|2,0,0]=4 2649 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [0,1,0,1,0,0|1,0,1]=4 2650 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,1,0,1,0,0|1,1,0]=4 2651 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,1,0,1,0,0|0,1,0]=3 2652 B10R2.5 N[C@@H]1C[C@H]1c2ncsc2 1P027WSS [0,1,0,1,0,0|2,0,0]=4 2653 B10R2.5 N[C@@H]1C[C@H]1c2scnc2 1P02805I [0,1,0,1,0,0|1,0,0]=3 2654 B10R2.16 NC1(CC1)c2cccs2 1P00HTAN [0,1,0,1,0,0|1,0,0]=3 2655 B10R2.16 OC1(CC1)c2cccs2 1P00H4QG [0,1,0,1,0,0|1,0,0]=3 2656 B10R2.136 C1CC(C1)c2cccs2 1P028TM9 [0,1,0,1,0,0|1,0,0]=3 2657 B10R2.136 N1CC(C1)c2[nH]cnc2 1P027Z51 [0,1,0,1,0,0|2,0,0]=4 2658 B10R2.136 N1CC(C1)c2[nH]cnc2 1P028LKX [0,1,0,1,0,0|2,0,0]=4 2659 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCD [0,1,0,1,0,0|2,0,0]=4 2660 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCF [0,1,0,1,0,0|2,0,0]=4 2661 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCG [0,1,0,1,0,0|2,0,0]=4 2662 B10R2.136 N1CC(C1)c2ccon2 1P01BHMM [0,1,0,1,0,0|2,0,0]=4 2663 B10R2.136 N1CC(C1)c2ncc[nH]2 1P01FKVP [0,1,0,1,0,0|2,0,0]=4 2664 B10R2.136 N1CC(C1)c2ncco2 1P027Z5D [0,1,0,1,0,0|1,1,0]=4 2665 B10R2.136 N1CC(C1)c2nccs2 1P024OXW [0,1,0,1,0,0|1,0,0]=3 2666 B10R2.136 N1CC(C1)c2ncsc2 1P027XVE [0,1,0,1,0,0|2,0,0]=4 2667 B10R2.136 N1CC(C1)c2ocnc2 1P027YH1 [0,1,0,1,0,0|1,1,0]=4 2668 B10R2.136 N1CC(C1)c2scnn2 1P028ECF [0,1,0,1,0,0|2,0,0]=4 2669 B10R2.136 N1CC(C1)n2cccc2 1P01AMJ9 [0,1,0,1,0,0|2,0,0]=4 2670 B10R2.136 N1CC(C1)n2cccn2 1P0017BX [0,1,0,1,0,0|2,0,0]=4 2671 B10R2.136 N1CC(C1)n2cccn2 1P008VSM [0,1,0,1,0,0|2,0,0]=4 2672 B10R2.193 c1csc(n1)NC2CC2 1P0288BX [0,1,0,1,0,0|2,0,0]=4 2673 B10R2.21 Brc1ncsc1C2CC2 1P028P3N [0,1,0,1,0,0|2,0,0]=4 2674 B10R2.21 Cc1ncsc1C2CC2 1P0282DB [0,1,0,1,0,0|2,0,0]=4