0 B10R1.61 CC(=C)c1ccccc1Br 1P005H4B [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 CC(=C)c1ccccc1F 1P01ACS1 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 CC(=C)c1ccccc1I 1P01GLJL [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 CC(=C)c1ccccc1N 1P00DF51 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 CC(=O)c1c[nH]ccc1=O 1P00CYEH [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 CC(=O)c1ccc[nH]c1=O 1P00EG1P [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 CC(=O)c1ccccc1Br 1P00I4LL [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC(=O)c1ccccc1C 1P003I51 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 CC(=O)c1ccccc1Cl 1P0033J6 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CC(=O)c1ccccc1F 1P003GQQ [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 CC(=O)c1ccccc1I 1P0033TR [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 CC(=O)c1ccccc1N 1P0033KO [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 CC(=O)c1ccccc1N 1P003GQI [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 CC(=O)c1ccccc1O 1P0033TC [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 CC(=O)c1ccccc1S 1P00BFT3 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 CC(=O)c1cccnc1Br 1P004PFL [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 CC(=O)c1cccnc1C 1P00APS4 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.61 CC(=O)c1cccnc1Cl 1P003413 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.61 CC(=O)c1cccnc1F 1P0058LW [0,0,0,0,0,0|2,0,0]=2 19 B10R1.61 CC(=O)c1cccnc1N 1P003DA0 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.61 CC(=O)c1ccncc1Br 1P007C19 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 CC(=O)c1ccncc1C 1P00G65L [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 CC(=O)c1ccncc1Cl 1P005PZQ [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 CC(=O)c1ccncc1F 1P003L35 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 CC(=O)c1ccncc1N 1P0010P1 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 CC(=O)c1ccncc1N 1P008V9A [0,0,0,0,0,0|4,0,0]=4 26 B10R1.61 CC(=O)c1ccncc1O 1P00BFML [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 CC(=O)c1cnccc1C 1P00DIDY [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 CC(=O)c1cnccc1Cl 1P01JV6G [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 CC(=O)c1cnccc1N 1P019U55 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 CC(=O)c1cnccc1N 1P0280Q1 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.61 CC(=O)c1cncnc1C 1P01AGIT [0,0,0,0,0,0|2,0,0]=2 32 B10R1.61 CC(=O)c1cncnc1N 1P01KKRL [0,0,0,0,0,0|3,0,0]=3 33 B10R1.61 CC(=O)c1ncccc1Br 1P0083FB [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 CC(=O)c1ncccc1C 1P003GRM [0,0,0,0,0,0|1,0,0]=1 35 B10R1.61 CC(=O)c1ncccc1Cl 1P0073R0 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.61 CC(=O)c1ncccc1F 1P0036MY [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 CC(=O)c1ncccc1N 1P0010P6 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.61 CC(=O)c1ncccc1O 1P0010P5 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.61 CC(=O)c1nccnc1C 1P0033J9 [0,0,0,0,0,0|0,0,0]=0 40 B10R1.61 CC(=O)c1nccnc1Cl 1P009X3P [0,0,0,0,0,0|1,0,0]=1 41 B10R1.61 CC(=O)c1ncncc1Br 1P000MPQ [0,0,0,0,0,0|3,0,0]=3 42 B10R1.61 CC(=O)c1ncncc1Cl 1P029263 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.61 CC(c1ccccc1C)Br 1P01A1EI [0,0,0,0,0,0|3,0,1]=4 44 B10R1.61 CC(c1ccccc1C)N 1P003DBW [0,0,0,0,0,0|3,0,1]=4 45 B10R1.61 CC(c1ccccc1C)N 1P003DBX [0,0,0,0,0,0|3,0,1]=4 46 B10R1.61 CC(c1ccccc1C)O 1P003DBY [0,0,0,0,0,0|2,0,2]=4 47 B10R1.61 CC(c1cccnc1Br)Br 1P01BQIP [0,0,0,0,0,0|3,0,1]=4 48 B10R1.61 CC(c1cccnc1Br)C 1P01FPCO [0,0,0,0,0,0|3,0,1]=4 49 B10R1.61 CC(c1cccnc1C)N 1P00H2TM [0,0,0,0,0,0|2,0,1]=3 50 B10R1.61 CC(c1cccnc1C)N 1P028K8Y [0,0,0,0,0,0|2,0,1]=3 51 B10R1.61 CC(c1cccnc1C)O 1P01B7I5 [0,0,0,0,0,0|1,0,2]=3 52 B10R1.61 CC(c1cccnc1Cl)O 1P00100N [0,0,0,0,0,0|2,0,2]=4 53 B10R1.61 CC(c1cccnc1F)N 1P01UNGB [0,0,0,0,0,0|3,0,1]=4 54 B10R1.61 CC(c1cccnc1F)O 1P00GB0N [0,0,0,0,0,0|2,0,2]=4 55 B10R1.61 CC(c1cccnc1N)C 1P00ILHF [0,0,0,0,0,0|3,0,1]=4 56 B10R1.61 CC(c1cccnc1N)N 1P0174Q9 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.61 CC(c1cccnc1N)N 1P027TVU [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 CC(c1cncnc1C)O 1P01AGJV [0,0,0,0,0,0|2,0,2]=4 59 B10R1.61 CC(c1ncc[nH]c1=O)C 1P00BVBN [0,0,0,0,0,0|2,0,2]=4 60 B10R1.61 CC(c1ncccc1Br)C 1P01K17I [0,0,0,0,0,0|3,0,1]=4 61 B10R1.61 CC(c1ncccc1Br)N 1P01JV6R [0,0,0,0,0,0|3,0,1]=4 62 B10R1.61 CC(c1ncccc1C)N 1P008O6T [0,0,0,0,0,0|2,0,1]=3 63 B10R1.61 CC(c1ncccc1C)N 1P01DE8D [0,0,0,0,0,0|2,0,1]=3 64 B10R1.61 CC(c1ncccc1C)O 1P00IDDS [0,0,0,0,0,0|1,0,2]=3 65 B10R1.61 CC(c1ncccc1Cl)N 1P028JLT [0,0,0,0,0,0|3,0,1]=4 66 B10R1.61 CC(c1ncccc1F)N 1P009YRQ [0,0,0,0,0,0|3,0,1]=4 67 B10R1.61 CC(c1ncccc1F)N 1P01C2U2 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.61 CC(c1ncccc1F)O 1P003DDM [0,0,0,0,0,0|2,0,2]=4 69 B10R1.61 CC(c1ncccc1N)C 1P01BICZ [0,0,0,0,0,0|3,0,1]=4 70 B10R1.61 CC(c1ncccc1O)C 1P002HLD [0,0,0,0,0,0|3,0,1]=4 71 B10R1.61 CC(c1nccnc1C)Br 1P01FIOE [0,0,0,0,0,0|1,0,1]=2 72 B10R1.61 CC(c1nccnc1C)N 1P01BSMC [0,0,0,0,0,0|1,0,1]=2 73 B10R1.61 CC(c1nccnc1Cl)C 1P00EK8L [0,0,0,0,0,0|2,0,1]=3 74 B10R1.61 CC(c1nccnc1Cl)N 1P02235G [0,0,0,0,0,0|2,0,1]=3 75 B10R1.61 CC(c1nccnc1Cl)O 1P01XFKE [0,0,0,0,0,0|1,0,2]=3 76 B10R1.61 CC(c1nccnc1N)C 1P01BIHV [0,0,0,0,0,0|2,0,1]=3 77 B10R1.61 CN(c1ccccc1C)C 1P0035RI [0,0,0,0,0,0|4,0,0]=4 78 B10R1.61 CN(c1cccnc1N)C 1P01A7DQ [0,0,0,0,0,0|4,0,0]=4 79 B10R1.61 CN(c1ncccc1Br)C 1P00960E [0,0,0,0,0,0|4,0,0]=4 80 B10R1.61 CN(c1ncccc1N)C 1P00J2OT [0,0,0,0,0,0|4,0,0]=4 81 B10R1.61 CN(c1ncccc1N)C 1P00J3KS [0,0,0,0,0,0|4,0,0]=4 82 B10R1.61 CN(c1ncccc1O)C 1P00CH10 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.61 CN(c1ncccc1S)C 1P028008 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.61 CN(c1nccnc1Cl)C 1P00DK0C [0,0,0,0,0,0|3,0,0]=3 85 B10R1.61 CN(c1nccnc1N)C 1P00428Z [0,0,0,0,0,0|3,0,0]=3 86 B10R1.61 CS(=O)c1ccccc1Br 1P00ICU5 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.61 CS(=O)c1ccccc1N 1P019WQG [0,0,0,0,0,0|4,0,0]=4 88 B10R1.61 CS(=O)c1ccccc1O 1P008565 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.61 C[C@@H](c1ccccc1C)N 1P0014ZZ [0,0,0,0,0,0|3,0,1]=4 90 B10R1.61 C[C@@H](c1ccccc1C)N 1P00G60I [0,0,0,0,0,0|3,0,1]=4 91 B10R1.61 C[C@@H](c1ccccc1C)O 1P00DA1B [0,0,0,0,0,0|2,0,2]=4 92 B10R1.61 C[C@@H](c1cccnc1C)N 1P028OLA [0,0,0,0,0,0|2,0,1]=3 93 B10R1.61 C[C@@H](c1cccnc1F)N 1P028EX4 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.61 C[C@@H](c1cccnc1F)O 1P0288J7 [0,0,0,0,0,0|2,0,2]=4 95 B10R1.61 C[C@@H](c1cncnc1C)O 1P01BHDH [0,0,0,0,0,0|2,0,2]=4 96 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01C38K [0,0,0,0,0,0|2,0,2]=4 97 B10R1.61 C[C@@H](c1ncccc1Br)O 1P01XBYD [0,0,0,0,0,0|2,0,2]=4 98 B10R1.61 C[C@@H](c1ncccc1Cl)N 1P01R1ZY [0,0,0,0,0,0|3,0,1]=4 99 B10R1.61 C[C@@H](c1ncccc1F)N 1P01BGT9 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.61 C[C@@H](c1ncccc1F)O 1P01BGYU [0,0,0,0,0,0|2,0,2]=4 101 B10R1.61 C[C@@H](c1nccnc1C)N 1P01FJTG [0,0,0,0,0,0|1,0,1]=2 102 B10R1.61 C[C@H](c1ccccc1C)N 1P008HMX [0,0,0,0,0,0|3,0,1]=4 103 B10R1.61 C[C@H](c1ccccc1C)N 1P008Y12 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.61 C[C@H](c1ccccc1C)O 1P00CLM3 [0,0,0,0,0,0|2,0,2]=4 105 B10R1.61 C[C@H](c1cccnc1F)N 1P028EHU [0,0,0,0,0,0|3,0,1]=4 106 B10R1.61 C[C@H](c1cccnc1F)O 1P024V0A [0,0,0,0,0,0|2,0,2]=4 107 B10R1.61 C[C@H](c1cncnc1C)N 1P01BE0I [0,0,0,0,0,0|3,0,1]=4 108 B10R1.61 C[C@H](c1cncnc1C)O 1P01BHDG [0,0,0,0,0,0|2,0,2]=4 109 B10R1.61 C[C@H](c1ncccc1Br)O 1P01C38Q [0,0,0,0,0,0|2,0,2]=4 110 B10R1.61 C[C@H](c1ncccc1C)N 1P01JV4F [0,0,0,0,0,0|2,0,1]=3 111 B10R1.61 C[C@H](c1ncccc1C)N 1P01KL6O [0,0,0,0,0,0|2,0,1]=3 112 B10R1.61 C[C@H](c1ncccc1F)N 1P01BH0Y [0,0,0,0,0,0|3,0,1]=4 113 B10R1.61 C[C@H](c1ncccc1F)O 1P01BH00 [0,0,0,0,0,0|2,0,2]=4 114 B10R1.61 C[C@H](c1nccnc1C)N 1P01FJTH [0,0,0,0,0,0|1,0,1]=2 115 B10R1.61 ClC(=O)c1ccccc1Br 1P003H8A [0,0,0,0,0,0|4,0,0]=4 116 B10R1.61 ClC(=O)c1ccccc1C 1P003TYW [0,0,0,0,0,0|3,0,0]=3 117 B10R1.61 ClC(=O)c1ccccc1Cl 1P003HII [0,0,0,0,0,0|4,0,0]=4 118 B10R1.61 ClC(=O)c1ccccc1F 1P003HSA [0,0,0,0,0,0|4,0,0]=4 119 B10R1.61 ClC(=O)c1ccccc1I 1P003HXI [0,0,0,0,0,0|4,0,0]=4 120 B10R1.61 ClC(=O)c1cccnc1Cl 1P00I9BS [0,0,0,0,0,0|3,0,0]=3 121 B10R1.61 ClC(=O)c1cccnc1F 1P000QAE [0,0,0,0,0,0|3,0,0]=3 122 B10R1.61 ClC(=O)c1cncnc1Cl 1P01DZ34 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.61 FC(=O)c1ccccc1F 1P01XIN5 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.61 FC(c1ncccc1C)F 1P01DZFW [0,0,0,0,0,0|3,0,1]=4 125 B10R1.61 NC(=N)c1ccccc1C 1P003I59 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.61 NC(=N)c1ncccc1Br 1P0090E6 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.61 NC(=N)c1ncccc1C 1P000PEE [0,0,0,0,0,0|3,0,0]=3 128 B10R1.61 NC(=N)c1ncccc1Cl 1P0090DX [0,0,0,0,0,0|4,0,0]=4 129 B10R1.61 NC(=O)c1ccccc1Br 1P00BXYL [0,0,0,0,0,0|4,0,0]=4 130 B10R1.61 NC(=O)c1ccccc1C 1P003I57 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.61 NC(=O)c1ccccc1Cl 1P003HI8 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.61 NC(=O)c1ccccc1F 1P003HS3 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.61 NC(=O)c1ccccc1I 1P00C7AR [0,0,0,0,0,0|4,0,0]=4 134 B10R1.61 NC(=O)c1ccccc1N 1P003GZT [0,0,0,0,0,0|4,0,0]=4 135 B10R1.61 NC(=O)c1ccccc1O 1P003UNA [0,0,0,0,0,0|4,0,0]=4 136 B10R1.61 NC(=O)c1ccccc1S 1P01AHBV [0,0,0,0,0,0|4,0,0]=4 137 B10R1.61 NC(=O)c1cccnc1Br 1P004KW5 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.61 NC(=O)c1cccnc1C 1P0036DJ [0,0,0,0,0,0|2,0,0]=2 139 B10R1.61 NC(=O)c1cccnc1Cl 1P003HJJ [0,0,0,0,0,0|3,0,0]=3 140 B10R1.61 NC(=O)c1cccnc1N 1P003H0N [0,0,0,0,0,0|3,0,0]=3 141 B10R1.61 NC(=O)c1cccnc1S 1P00E1PI [0,0,0,0,0,0|3,0,0]=3 142 B10R1.61 NC(=O)c1ccncc1C 1P002QZ3 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.61 NC(=O)c1cnccc1C 1P005T1X [0,0,0,0,0,0|4,0,0]=4 144 B10R1.61 NC(=O)c1cncnc1N 1P00DCM8 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.61 NC(=O)c1cncnc1O 1P00DG2R [0,0,0,0,0,0|4,0,0]=4 146 B10R1.61 NC(=O)c1ncc[nH]c1=O 1P009CO6 [0,0,0,0,0,0|2,0,1]=3 147 B10R1.61 NC(=O)c1ncccc1Br 1P00CJQP [0,0,0,0,0,0|3,0,0]=3 148 B10R1.61 NC(=O)c1ncccc1C 1P00GT5N [0,0,0,0,0,0|2,0,0]=2 149 B10R1.61 NC(=O)c1ncccc1Cl 1P000AYW [0,0,0,0,0,0|3,0,0]=3 150 B10R1.61 NC(=O)c1ncccc1N 1P00D8IG [0,0,0,0,0,0|3,0,0]=3 151 B10R1.61 NC(=O)c1ncccc1O 1P003K1J [0,0,0,0,0,0|3,0,0]=3 152 B10R1.61 NC(=O)c1nccnc1Br 1P002VB7 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.61 NC(=O)c1nccnc1Cl 1P003JS7 [0,0,0,0,0,0|2,0,0]=2 154 B10R1.61 NC(=O)c1nccnc1N 1P00CAO8 [0,0,0,0,0,0|2,0,0]=2 155 B10R1.61 NC(=O)c1nccnc1O 1P003K1L [0,0,0,0,0,0|2,0,0]=2 156 B10R1.61 NC(=S)c1ccccc1C 1P00D8TE [0,0,0,0,0,0|3,1,0]=4 157 B10R1.61 NC(=S)c1cccnc1N 1P00COUK [0,0,0,0,0,0|3,1,0]=4 158 B10R1.61 NC(=S)c1cccnc1O 1P0290Z1 [0,0,0,0,0,0|3,1,0]=4 159 B10R1.61 NC(=S)c1ncccc1Br 1P01DTCH [0,0,0,0,0,0|3,1,0]=4 160 B10R1.61 NC(=S)c1nccnc1N 1P01SCJN [0,0,0,0,0,0|2,1,0]=3 161 B10R1.61 O=N(=O)c1ccccc1C 1P003IA0 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.61 O=N(=O)c1cccnc1C 1P00EAXE [0,0,0,0,0,0|3,0,0]=3 163 B10R1.61 OB(c1cccnc1C)O 1P0033W6 [0,0,0,0,0,0|3,0,1]=4 164 B10R1.61 OB(c1cccnc1C)O 1P00GSLX [0,0,0,0,0,0|3,0,1]=4 165 B10R1.61 OB(c1ncccc1C)O 1P003487 [0,0,0,0,0,0|3,0,1]=4 166 B10R1.61 OC(=O)C1C=CC=NC1=O 1P01KLDR [0,0,0,0,0,0|3,0,1]=4 167 B10R1.61 OC(=O)c1ccccc1Br 1P0033MS [0,0,0,0,0,0|4,0,0]=4 168 B10R1.61 OC(=O)c1ccccc1C 1P0035WF [0,0,0,0,0,0|3,0,0]=3 169 B10R1.61 OC(=O)c1ccccc1Cl 1P003HIE [0,0,0,0,0,0|4,0,0]=4 170 B10R1.61 OC(=O)c1ccccc1F 1P003HS6 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.61 OC(=O)c1ccccc1I 1P00IFBA [0,0,0,0,0,0|4,0,0]=4 172 B10R1.61 OC(=O)c1ccccc1O 1P0072Q7 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.61 OC(=O)c1ccccc1O 1P00GA1V [0,0,0,0,0,0|4,0,0]=4 174 B10R1.61 OC(=O)c1cccnc1Br 1P007DQN [0,0,0,0,0,0|3,0,0]=3 175 B10R1.61 OC(=O)c1cccnc1C 1P003I6J [0,0,0,0,0,0|2,0,0]=2 176 B10R1.61 OC(=O)c1cccnc1C 1P007Q5X [0,0,0,0,0,0|2,0,0]=2 177 B10R1.61 OC(=O)c1cccnc1Cl 1P002YTC [0,0,0,0,0,0|3,0,0]=3 178 B10R1.61 OC(=O)c1cccnc1F 1P003HSN [0,0,0,0,0,0|3,0,0]=3 179 B10R1.61 OC(=O)c1cccnc1I 1P00EGNX [0,0,0,0,0,0|3,0,0]=3 180 B10R1.61 OC(=O)c1cccnc1N 1P0033L3 [0,0,0,0,0,0|3,0,0]=3 181 B10R1.61 OC(=O)c1cccnc1O 1P0033TM [0,0,0,0,0,0|3,0,0]=3 182 B10R1.61 OC(=O)c1cccnc1S 1P003HZ1 [0,0,0,0,0,0|3,0,0]=3 183 B10R1.61 OC(=O)c1ccncc1C 1P0039KX [0,0,0,0,0,0|4,0,0]=4 184 B10R1.61 OC(=O)c1ccncc1C 1P00ELDZ [0,0,0,0,0,0|4,0,0]=4 185 B10R1.61 OC(=O)c1ccnnc1C 1P00II15 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.61 OC(=O)c1ccnnc1Cl 1P0007O6 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.61 OC(=O)c1ccnnc1N 1P002LSA [0,0,0,0,0,0|4,0,0]=4 188 B10R1.61 OC(=O)c1ccnnc1S 1P01C250 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.61 OC(=O)c1cnccc1C 1P003M9A [0,0,0,0,0,0|4,0,0]=4 190 B10R1.61 OC(=O)c1cnccc1C 1P00GSON [0,0,0,0,0,0|4,0,0]=4 191 B10R1.61 OC(=O)c1cncnc1C 1P001PV1 [0,0,0,0,0,0|3,0,0]=3 192 B10R1.61 OC(=O)c1cncnc1Cl 1P00GVDA [0,0,0,0,0,0|4,0,0]=4 193 B10R1.61 OC(=O)c1cncnc1N 1P002JH7 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.61 OC(=O)c1n[nH]ccc1=O 1P01A4WY [0,0,0,0,0,0|4,0,0]=4 195 B10R1.61 OC(=O)c1ncc[nH]c1=O 1P002JH6 [0,0,0,0,0,0|2,0,1]=3 196 B10R1.61 OC(=O)c1ncccc1Br 1P00319D [0,0,0,0,0,0|3,0,0]=3 197 B10R1.61 OC(=O)c1ncccc1C 1P000LL7 [0,0,0,0,0,0|2,0,0]=2 198 B10R1.61 OC(=O)c1ncccc1C 1P003488 [0,0,0,0,0,0|2,0,0]=2 199 B10R1.61 OC(=O)c1ncccc1Cl 1P003JRZ [0,0,0,0,0,0|3,0,0]=3 200 B10R1.61 OC(=O)c1ncccc1F 1P006UT0 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.61 OC(=O)c1ncccc1I 1P005WO7 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.61 OC(=O)c1ncccc1N 1P001E9I [0,0,0,0,0,0|3,0,0]=3 203 B10R1.61 OC(=O)c1ncccc1O 1P00DBOF [0,0,0,0,0,0|3,0,0]=3 204 B10R1.61 OC(=O)c1ncccc1S 1P00C9IZ [0,0,0,0,0,0|3,0,0]=3 205 B10R1.61 OC(=O)c1nccnc1Br 1P00H1EL [0,0,0,0,0,0|2,0,0]=2 206 B10R1.61 OC(=O)c1nccnc1C 1P003485 [0,0,0,0,0,0|1,0,0]=1 207 B10R1.61 OC(=O)c1nccnc1Cl 1P003JS8 [0,0,0,0,0,0|2,0,0]=2 208 B10R1.61 OC(=O)c1nccnc1F 1P01OMF7 [0,0,0,0,0,0|2,0,0]=2 209 B10R1.61 OC(=O)c1nccnc1I 1P007P3R [0,0,0,0,0,0|2,0,0]=2 210 B10R1.61 OC(=O)c1nccnc1N 1P003JEP [0,0,0,0,0,0|2,0,0]=2 211 B10R1.61 OC(=O)c1nccnc1S 1P01ANEF [0,0,0,0,0,0|2,0,0]=2 212 B10R1.61 OC(=O)c1ncncc1Br 1P0037F5 [0,0,0,0,0,0|4,0,0]=4 213 B10R1.61 OC(=O)c1ncncc1C 1P00II0M [0,0,0,0,0,0|3,0,0]=3 214 B10R1.61 OC(=O)c1ncncc1Cl 1P00EKD0 [0,0,0,0,0,0|4,0,0]=4 215 B10R1.61 OC(=O)c1ncncc1F 1P0092A9 [0,0,0,0,0,0|4,0,0]=4 216 B10R1.61 OC(=O)c1ncncc1N 1P00EB8C [0,0,0,0,0,0|4,0,0]=4 217 B10R1.61 OC(=O)c1ncnnc1N 1P00CB8M [0,0,0,0,0,0|3,0,0]=3 218 B10R1.61 OC(=O)c1nnccc1C 1P00BGLQ [0,0,0,0,0,0|3,0,0]=3 219 B10R1.61 OC(=O)c1nnccc1C 1P028XRQ [0,0,0,0,0,0|3,0,0]=3 220 B10R1.61 [O-]C(=O)c1ccccc1Cl 1P00APO5 [0,0,0,0,0,0|4,0,0]=4 221 B10R1.61 [O-]C(=O)c1ccccc1F 1P006WEJ [0,0,0,0,0,0|4,0,0]=4 222 B10R1.61 [O-]C(=O)c1ccccc1O 1P002IGB [0,0,0,0,0,0|4,0,0]=4 223 B10R1.61 [O-]C(=O)c1ccccc1O 1P00352J [0,0,0,0,0,0|4,0,0]=4 224 B10R1.61 [O-]C(=O)c1ccccc1O 1P003OC6 [0,0,0,0,0,0|4,0,0]=4 225 B10R1.61 [O-]C(=O)c1ccccc1O 1P003RSL [0,0,0,0,0,0|4,0,0]=4 226 B10R1.61 [O-]C(=O)c1ccccc1O 1P003UUP [0,0,0,0,0,0|4,0,0]=4 227 B10R1.61 [O-]C(=O)c1ccccc1O 1P00IAR4 [0,0,0,0,0,0|4,0,0]=4 228 B10R1.61 [O-]C(=O)c1ccccc1S 1P003V9F [0,0,0,0,0,0|4,0,0]=4 229 B10R1.61 [O-]C(=O)c1ncccc1Br 1P008VJH [0,0,0,0,0,0|3,0,0]=3 230 B10R1.61 [O-]C(=O)c1ncccc1O 1P00IEYX [0,0,0,0,0,0|3,0,0]=3 231 B10R1.61 [O-]C(=O)c1ncncc1F 1P028CCT [0,0,0,0,0,0|4,0,0]=4 232 B10R1.61 [O-]S(=O)c1ccccc1C 1P00B5ML [0,0,0,0,0,0|4,0,0]=4 233 B10R1.61 [O-]S(=O)c1ccccc1C 1P028LVY [0,0,0,0,0,0|4,0,0]=4 234 B10R1.61 [O-]S(=O)c1cccnc1Cl 1P01FJ1V [0,0,0,0,0,0|4,0,0]=4 235 B10R1.61 [O-]S(=O)c1cccnc1F 1P01FLAH [0,0,0,0,0,0|4,0,0]=4 236 B10R1.61 [O-]S(=O)c1ncccc1C 1P01KLCL [0,0,0,0,0,0|3,0,0]=3 237 B10R1.61 [O-]S(=O)c1ncccc1C 1P0286T8 [0,0,0,0,0,0|3,0,0]=3 238 B10R1.61 [O-]S(=O)c1ncccc1Cl 1P01FLAW [0,0,0,0,0,0|4,0,0]=4 239 B10R1.61 [O-][N+](=O)c1cccnc1Br 1P002BCG [0,0,0,0,0,0|4,0,0]=4 240 B10R1.61 [O-][N+](=O)c1cccnc1C 1P003I3F [0,0,0,0,0,0|3,0,0]=3 241 B10R1.61 [O-][N+](=O)c1cccnc1Cl 1P003HCQ [0,0,0,0,0,0|4,0,0]=4 242 B10R1.61 [O-][N+](=O)c1cccnc1F 1P003HPM [0,0,0,0,0,0|4,0,0]=4 243 B10R1.61 [O-][N+](=O)c1cccnc1I 1P002KMS [0,0,0,0,0,0|4,0,0]=4 244 B10R1.61 [O-][N+](=O)c1cccnc1N 1P00I8N4 [0,0,0,0,0,0|4,0,0]=4 245 B10R1.61 [O-][N+](=O)c1cccnc1O 1P0036FP [0,0,0,0,0,0|4,0,0]=4 246 B10R1.61 [O-][N+](=O)c1cccnc1S 1P003KAL [0,0,0,0,0,0|4,0,0]=4 247 B10R1.61 [O-][N+](=O)c1ncccc1Br 1P003JHG [0,0,0,0,0,0|4,0,0]=4 248 B10R1.61 [O-][N+](=O)c1ncccc1C 1P00I1W2 [0,0,0,0,0,0|3,0,0]=3 249 B10R1.61 [O-][N+](=O)c1ncccc1Cl 1P003JO2 [0,0,0,0,0,0|4,0,0]=4 250 B10R1.61 [O-][N+](=O)c1ncccc1F 1P00345R [0,0,0,0,0,0|4,0,0]=4 251 B10R1.61 [O-][N+](=O)c1ncccc1I 1P00DC7R [0,0,0,0,0,0|4,0,0]=4 252 B10R1.61 [O-][N+](=O)c1ncccc1N 1P0011H7 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.61 [O-][N+](=O)c1ncccc1O 1P001NOV [0,0,0,0,0,0|4,0,0]=4 254 B10R1.61 [O-][N+](=O)c1nccnc1Cl 1P0036RO [0,0,0,0,0,0|3,0,0]=3 255 B9R1.6 BrC(=O)c1ccccc1 1P003OJM [1,0,0,0,0,0|3,0,0]=4 256 B9R1.6 C(=O)([2H])c1ccccc1 1P00CKBV [1,0,0,0,0,0|3,0,0]=4 257 B9R1.6 CC(=C)c1ccccn1 1P00ELW9 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.6 CC(=C)c1cccnc1 1P00B5O7 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.6 CC(=O)c1ccccc1 1P0036AX [1,0,0,0,0,0|2,0,0]=3 260 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [1,0,0,0,0,0|1,0,0]=2 261 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [1,0,0,0,0,0|1,0,0]=2 262 B9R1.6 CC(=O)c1cccnn1 1P007UEX [1,0,0,0,0,0|2,0,0]=3 263 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [1,0,0,0,0,0|3,0,0]=4 264 B9R1.6 CC(=O)c1ccncn1 1P00BYH9 [1,0,0,0,0,0|2,0,0]=3 265 B9R1.6 CC(=O)c1ccnnc1 1P006VU7 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.6 CC(=O)c1cnccn1 1P003O4N [1,0,0,0,0,0|0,0,0]=1 267 B9R1.6 CC(=O)c1cncnc1 1P003DIC [1,0,0,0,0,0|2,0,0]=3 268 B9R1.6 CC(=O)c1ncccn1 1P003GS7 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.6 CC(c1ccccn1)Br 1P005XKU [1,0,0,0,0,0|2,0,1]=4 270 B9R1.6 CC(c1ccccn1)Br 1P019XVD [1,0,0,0,0,0|2,0,1]=4 271 B9R1.6 CC(c1ccccn1)C 1P00E98K [1,0,0,0,0,0|2,0,1]=4 272 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [1,0,0,0,0,0|2,0,1]=4 273 B9R1.6 CC(c1ccccn1)N 1P0039UO [1,0,0,0,0,0|2,0,1]=4 274 B9R1.6 CC(c1ccccn1)N 1P003DC9 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.6 CC(c1ccccn1)O 1P003F63 [1,0,0,0,0,0|1,0,2]=4 276 B9R1.6 CC(c1cccnc1)Br 1P019XJX [1,0,0,0,0,0|2,0,1]=4 277 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [1,0,0,0,0,0|2,0,1]=4 278 B9R1.6 CC(c1cccnc1)N 1P000HRO [1,0,0,0,0,0|2,0,1]=4 279 B9R1.6 CC(c1cccnc1)N 1P003DEG [1,0,0,0,0,0|2,0,1]=4 280 B9R1.6 CC(c1cccnc1)O 1P003IG7 [1,0,0,0,0,0|1,0,2]=4 281 B9R1.6 CC(c1cnccn1)Cl 1P000Z2P [1,0,0,0,0,0|1,0,1]=3 282 B9R1.6 CC(c1cnccn1)N 1P0027E6 [1,0,0,0,0,0|1,0,1]=3 283 B9R1.6 CC(c1cnccn1)O 1P00IIZX [1,0,0,0,0,0|0,0,2]=3 284 B9R1.6 CC(c1nccnc1)N 1P01EII2 [1,0,0,0,0,0|1,0,1]=3 285 B9R1.6 CN(c1ccccn1)C 1P003BOB [1,0,0,0,0,0|3,0,0]=4 286 B9R1.6 CN(c1ccccn1)N 1P00736N [1,0,0,0,0,0|3,0,0]=4 287 B9R1.6 CN(c1cccnc1)C 1P0075WN [1,0,0,0,0,0|3,0,0]=4 288 B9R1.6 CN(c1cnccn1)N 1P00G9SO [1,0,0,0,0,0|2,0,0]=3 289 B9R1.6 CS(=O)c1ccccc1 1P000J0D [1,0,0,0,0,0|3,0,0]=4 290 B9R1.6 CS(=O)c1ccccn1 1P006YWW [1,0,0,0,0,0|2,0,0]=3 291 B9R1.6 CS(=O)c1ncccn1 1P001D8J [1,0,0,0,0,0|3,0,0]=4 292 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [1,0,0,0,0,0|2,0,1]=4 293 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [1,0,0,0,0,0|2,0,1]=4 294 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [1,0,0,0,0,0|1,0,2]=4 295 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [1,0,0,0,0,0|2,0,1]=4 296 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [1,0,0,0,0,0|2,0,1]=4 297 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [1,0,0,0,0,0|1,0,2]=4 298 B9R1.6 C[C@@H](c1cnccn1)O 1P01AJZA [1,0,0,0,0,0|0,0,2]=3 299 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [1,0,0,0,0,0|1,0,1]=3 300 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [1,0,0,0,0,0|2,0,1]=4 301 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [1,0,0,0,0,0|2,0,1]=4 302 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [1,0,0,0,0,0|1,0,2]=4 303 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [1,0,0,0,0,0|2,0,1]=4 304 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [1,0,0,0,0,0|2,0,1]=4 305 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [1,0,0,0,0,0|1,0,2]=4 307 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [1,0,0,0,0,0|1,0,1]=3 308 B9R1.6 C[C@H](c1cnccn1)O 1P01AJZ9 [1,0,0,0,0,0|0,0,2]=3 309 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [1,0,0,0,0,0|1,0,1]=3 310 B9R1.6 ClC(=O)c1ccccc1 1P00374M [1,0,0,0,0,0|3,0,0]=4 311 B9R1.6 ClC(=O)c1ccccn1 1P002ZQS [1,0,0,0,0,0|2,0,0]=3 312 B9R1.6 ClC(=O)c1ccccn1 1P003UJ3 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.6 ClC(=O)c1cccnc1 1P0028T1 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.6 ClC(=O)c1cccnc1 1P008RIG [1,0,0,0,0,0|2,0,0]=3 315 B9R1.6 ClC(=O)c1cnccn1 1P002C00 [1,0,0,0,0,0|1,0,0]=2 316 B9R1.6 ClC(=O)c1cncnc1 1P00CJ9M [1,0,0,0,0,0|3,0,0]=4 317 B9R1.6 ClC(=O)c1ncccn1 1P00CGQU [1,0,0,0,0,0|3,0,0]=4 318 B9R1.6 FC(=O)c1ccccc1 1P00D8I4 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.6 NC(=N)c1ccccn1 1P0035Y9 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.6 NC(=N)c1cccnc1 1P002N4J [1,0,0,0,0,0|3,0,0]=4 321 B9R1.6 NC(=N)c1cccnc1 1P003KCV [1,0,0,0,0,0|3,0,0]=4 322 B9R1.6 NC(=N)c1cccnc1 1P00EEAY [1,0,0,0,0,0|3,0,0]=4 323 B9R1.6 NC(=N)c1cnccn1 1P00199A [1,0,0,0,0,0|2,0,0]=3 324 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.6 NC(=O)c1ccccn1 1P003U8O [1,0,0,0,0,0|2,0,0]=3 326 B9R1.6 NC(=O)c1cccnc1 1P00IKH0 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.6 NC(=O)c1cccnn1 1P00DL9W [1,0,0,0,0,0|3,0,0]=4 328 B9R1.6 NC(=O)c1ccncn1 1P002WFX [1,0,0,0,0,0|3,0,0]=4 329 B9R1.6 NC(=O)c1ccnnc1 1P00H1KR [1,0,0,0,0,0|3,0,0]=4 330 B9R1.6 NC(=O)c1cnccn1 1P003UIG [1,0,0,0,0,0|1,0,0]=2 331 B9R1.6 NC(=O)c1cncnc1 1P00BXU6 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.6 NC(=O)c1ncccn1 1P00490W [1,0,0,0,0,0|3,0,0]=4 333 B9R1.6 NC(=S)c1ccccn1 1P00IA0A [1,0,0,0,0,0|2,1,0]=4 334 B9R1.6 NC(=S)c1cccnc1 1P00I915 [1,0,0,0,0,0|2,1,0]=4 335 B9R1.6 NC(=S)c1cnccn1 1P003UIJ [1,0,0,0,0,0|1,1,0]=3 336 B9R1.6 OB(c1nccnc1)O 1P005S03 [1,0,0,0,0,0|2,0,1]=4 337 B9R1.6 OC(=O)c1ccccc1 1P0034YN [1,0,0,0,0,0|3,0,0]=4 338 B9R1.6 OC(=O)c1ccccc1 1P003U1P [1,0,0,0,0,0|3,0,0]=4 339 B9R1.6 OC(=O)c1ccccc1 1P0080KJ [1,0,0,0,0,0|3,0,0]=4 340 B9R1.6 OC(=O)c1ccccc1 1P00GSC1 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.6 OC(=O)c1ccccc1 1P01JV1A [1,0,0,0,0,0|3,0,0]=4 342 B9R1.6 OC(=O)c1ccccn1 1P0035Y8 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.6 OC(=O)c1ccccn1 1P003U8P [1,0,0,0,0,0|2,0,0]=3 344 B9R1.6 OC(=O)c1cccnc1 1P00EZXS [1,0,0,0,0,0|2,0,0]=3 345 B9R1.6 OC(=O)c1cccnc1 1P00IBTV [1,0,0,0,0,0|2,0,0]=3 346 B9R1.6 OC(=O)c1cccnn1 1P00BCBL [1,0,0,0,0,0|3,0,0]=4 347 B9R1.6 OC(=O)c1cccnn1 1P01Z9RM [1,0,0,0,0,0|3,0,0]=4 348 B9R1.6 OC(=O)c1ccncn1 1P003UJM [1,0,0,0,0,0|3,0,0]=4 349 B9R1.6 OC(=O)c1ccnnc1 1P0034LS [1,0,0,0,0,0|3,0,0]=4 350 B9R1.6 OC(=O)c1cnccn1 1P0033WC [1,0,0,0,0,0|1,0,0]=2 351 B9R1.6 OC(=O)c1cncnc1 1P003NF7 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.6 OC(=O)c1ncccn1 1P003UJL [1,0,0,0,0,0|3,0,0]=4 353 B9R1.6 OC(=O)c1ncccn1 1P01AJVA [1,0,0,0,0,0|3,0,0]=4 354 B9R1.6 OC(=O)c1nccnn1 1P01DXUR [1,0,0,0,0,0|2,0,0]=3 355 B9R1.6 [O-]C(=O)c1ccccc1 1P001YXL [1,0,0,0,0,0|3,0,0]=4 356 B9R1.6 [O-]C(=O)c1ccccc1 1P00361Z [1,0,0,0,0,0|3,0,0]=4 357 B9R1.6 [O-]C(=O)c1ccccc1 1P003OB0 [1,0,0,0,0,0|3,0,0]=4 358 B9R1.6 [O-]C(=O)c1ccccc1 1P003RRN [1,0,0,0,0,0|3,0,0]=4 359 B9R1.6 [O-]C(=O)c1ccccc1 1P003UCI [1,0,0,0,0,0|3,0,0]=4 360 B9R1.6 [O-]C(=O)c1ccccc1 1P003UPU [1,0,0,0,0,0|3,0,0]=4 361 B9R1.6 [O-]C(=O)c1ccccc1 1P00C9FZ [1,0,0,0,0,0|3,0,0]=4 362 B9R1.6 [O-]C(=O)c1ccccc1 1P00D9FZ [1,0,0,0,0,0|3,0,0]=4 363 B9R1.6 [O-]C(=O)c1ccccc1 1P01DORW [1,0,0,0,0,0|3,0,0]=4 364 B9R1.6 [O-]C(=O)c1ccccn1 1P001FPK [1,0,0,0,0,0|2,0,0]=3 365 B9R1.6 [O-]C(=O)c1ccccn1 1P003PCW [1,0,0,0,0,0|2,0,0]=3 366 B9R1.6 [O-]C(=O)c1ccccn1 1P003U8R [1,0,0,0,0,0|2,0,0]=3 367 B9R1.6 [O-]C(=O)c1cccnc1 1P003UTW [1,0,0,0,0,0|2,0,0]=3 368 B9R1.6 [O-]C(=O)c1ccncn1 1P0055B7 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.6 [O-]S(=O)c1ccccn1 1P00I55G [1,0,0,0,0,0|3,0,0]=4 370 B9R1.6 [O-]S(=O)c1ccccn1 1P01AGPS [1,0,0,0,0,0|3,0,0]=4 371 B9R1.6 [O-]S(=O)c1cccnc1 1P00A6VE [1,0,0,0,0,0|3,0,0]=4 372 B9R1.6 [O-]S(=O)c1cccnc1 1P027XAI [1,0,0,0,0,0|3,0,0]=4 373 B9R1.6 [O-][N+](=O)c1ccccn1 1P001MRG [1,0,0,0,0,0|3,0,0]=4 374 B9R1.6 [O-][N+](=O)c1cccnc1 1P003KAJ [1,0,0,0,0,0|3,0,0]=4 375 B9R1.15 BrCc1cccnc1C 1P0019R8 [1,0,0,0,0,0|2,0,1]=4 376 B9R1.15 BrCc1ncccc1C 1P0091H2 [1,0,0,0,0,0|2,0,1]=4 377 B9R1.15 BrCc1nccnc1C 1P027Z7H [1,0,0,0,0,0|1,0,1]=3 378 B9R1.15 C#Cc1cccnc1C 1P01DWS5 [1,0,0,0,0,0|1,0,2]=4 379 B9R1.15 C#Cc1ncccc1C 1P0030IS [1,0,0,0,0,0|1,0,2]=4 380 B9R1.15 C#Cc1nccnc1Br 1P029319 [1,0,0,0,0,0|1,0,2]=4 381 B9R1.15 C#Cc1nccnc1C 1P00C9LZ [1,0,0,0,0,0|0,0,2]=3 382 B9R1.15 C#Cc1nccnc1Cl 1P0013PW [1,0,0,0,0,0|1,0,2]=4 383 B9R1.15 C#Cc1nccnc1N 1P0002Q2 [1,0,0,0,0,0|1,0,2]=4 384 B9R1.15 C=Cc1cccnc1C 1P00I8ZR [1,0,0,0,0,0|1,0,1]=3 385 B9R1.15 C=Cc1cccnc1F 1P00HX8N [1,0,0,0,0,0|2,0,1]=4 386 B9R1.15 C=Cc1ncccc1Br 1P004ZQ3 [1,0,0,0,0,0|2,0,1]=4 387 B9R1.15 C=Cc1ncccc1C 1P00CC7K [1,0,0,0,0,0|1,0,1]=3 388 B9R1.15 C=Cc1ncccc1F 1P01B626 [1,0,0,0,0,0|2,0,1]=4 389 B9R1.15 C=Cc1nccnc1C 1P002QRI [1,0,0,0,0,0|0,0,1]=2 390 B9R1.15 CCc1ccccc1C 1P003HOX [1,0,0,0,0,0|2,0,1]=4 391 B9R1.15 CCc1cccnc1Br 1P01CAQK [1,0,0,0,0,0|2,0,1]=4 392 B9R1.15 CCc1cccnc1Cl 1P00IK9V [1,0,0,0,0,0|2,0,1]=4 393 B9R1.15 CCc1cccnc1F 1P027X3Q [1,0,0,0,0,0|2,0,1]=4 394 B9R1.15 CCc1cccnc1N 1P00BYMN [1,0,0,0,0,0|2,0,1]=4 395 B9R1.15 CCc1cccnc1O 1P00EIVR [1,0,0,0,0,0|2,0,1]=4 396 B9R1.15 CCc1ncc[nH]c1=O 1P00BK7L [1,0,0,0,0,0|1,0,2]=4 397 B9R1.15 CCc1ncc[nH]c1=O 1P01FLFE [1,0,0,0,0,0|1,0,2]=4 398 B9R1.15 CCc1ncccc1Br 1P00CJAY [1,0,0,0,0,0|2,0,1]=4 399 B9R1.15 CCc1ncccc1N 1P01C6YI [1,0,0,0,0,0|2,0,1]=4 400 B9R1.15 CCc1ncccc1O 1P00EJRY [1,0,0,0,0,0|2,0,1]=4 401 B9R1.15 CCc1nccnc1C 1P001PNQ [1,0,0,0,0,0|0,0,1]=2 402 B9R1.15 CCc1nccnc1Cl 1P00E98L [1,0,0,0,0,0|1,0,1]=3 403 B9R1.15 CCc1nccnc1N 1P00H35P [1,0,0,0,0,0|1,0,1]=3 404 B9R1.15 CNc1ccccc1C 1P003TP2 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.15 CNc1cccnc1Br 1P00GSNK [1,0,0,0,0,0|3,0,0]=4 406 B9R1.15 CNc1cccnc1C 1P009SR0 [1,0,0,0,0,0|2,0,0]=3 407 B9R1.15 CNc1cccnc1C 1P01AM0N [1,0,0,0,0,0|2,0,0]=3 408 B9R1.15 CNc1cccnc1C 1P01FKVI [1,0,0,0,0,0|2,0,0]=3 409 B9R1.15 CNc1cccnc1Cl 1P00I8HE [1,0,0,0,0,0|3,0,0]=4 410 B9R1.15 CNc1cccnc1N 1P00ELAM [1,0,0,0,0,0|3,0,0]=4 411 B9R1.15 CNc1ncccc1Br 1P00BDBE [1,0,0,0,0,0|3,0,0]=4 412 B9R1.15 CNc1ncccc1C 1P00B9IM [1,0,0,0,0,0|2,0,0]=3 413 B9R1.15 CNc1ncccc1Cl 1P00DKL6 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.15 CNc1ncccc1F 1P00BJFB [1,0,0,0,0,0|3,0,0]=4 415 B9R1.15 CNc1ncccc1I 1P000AOR [1,0,0,0,0,0|3,0,0]=4 416 B9R1.15 CNc1ncccc1N 1P00DEDZ [1,0,0,0,0,0|3,0,0]=4 417 B9R1.15 CNc1ncccc1N 1P019XCU [1,0,0,0,0,0|3,0,0]=4 418 B9R1.15 CNc1nccnc1C 1P01IJES [1,0,0,0,0,0|1,0,0]=2 419 B9R1.15 CNc1nccnc1Cl 1P00DD7L [1,0,0,0,0,0|2,0,0]=3 420 B9R1.15 CNc1nccnc1N 1P004UKH [1,0,0,0,0,0|2,0,0]=3 421 B9R1.15 COc1ccccc1C 1P003I55 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.15 COc1cccnc1Br 1P006XU3 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.15 COc1cccnc1C 1P002TI0 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.15 COc1cccnc1Cl 1P00I9VJ [1,0,0,0,0,0|3,0,0]=4 425 B9R1.15 COc1cccnc1F 1P001UE8 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.15 COc1cccnc1I 1P0062GY [1,0,0,0,0,0|3,0,0]=4 427 B9R1.15 COc1cccnc1N 1P0006SA [1,0,0,0,0,0|3,0,0]=4 428 B9R1.15 COc1cccnc1O 1P00I1BE [1,0,0,0,0,0|3,0,0]=4 429 B9R1.15 COc1cccnc1S 1P00B36V [1,0,0,0,0,0|3,0,0]=4 430 B9R1.15 COc1ncccc1Br 1P003JHD [1,0,0,0,0,0|3,0,0]=4 431 B9R1.15 COc1ncccc1C 1P002GA3 [1,0,0,0,0,0|2,0,0]=3 432 B9R1.15 COc1ncccc1Cl 1P003JNS [1,0,0,0,0,0|3,0,0]=4 433 B9R1.15 COc1ncccc1F 1P004K0C [1,0,0,0,0,0|3,0,0]=4 434 B9R1.15 COc1ncccc1I 1P003K1W [1,0,0,0,0,0|3,0,0]=4 435 B9R1.15 COc1ncccc1N 1P003I18 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.15 COc1ncccc1O 1P009FJH [1,0,0,0,0,0|3,0,0]=4 437 B9R1.15 COc1ncccc1S 1P01L01U [1,0,0,0,0,0|3,0,0]=4 438 B9R1.15 COc1nccnc1Br 1P008ZI9 [1,0,0,0,0,0|2,0,0]=3 439 B9R1.15 COc1nccnc1C 1P002VX2 [1,0,0,0,0,0|1,0,0]=2 440 B9R1.15 COc1nccnc1C 1P00FAVU [1,0,0,0,0,0|1,0,0]=2 441 B9R1.15 COc1nccnc1Cl 1P0075I4 [1,0,0,0,0,0|2,0,0]=3 442 B9R1.15 COc1nccnc1F 1P023J7U [1,0,0,0,0,0|2,0,0]=3 443 B9R1.15 COc1nccnc1I 1P00EHP1 [1,0,0,0,0,0|2,0,0]=3 444 B9R1.15 COc1nccnc1N 1P00D9E1 [1,0,0,0,0,0|2,0,0]=3 445 B9R1.15 COc1ncncc1C 1P00ALUB [1,0,0,0,0,0|3,0,0]=4 446 B9R1.15 CSc1ccccc1C 1P001G42 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.15 CSc1cccnc1Br 1P00J3CE [1,0,0,0,0,0|3,0,0]=4 448 B9R1.15 CSc1cccnc1Cl 1P006P9R [1,0,0,0,0,0|3,0,0]=4 449 B9R1.15 CSc1cccnc1F 1P00CGDU [1,0,0,0,0,0|3,0,0]=4 450 B9R1.15 CSc1cccnc1N 1P00BB9C [1,0,0,0,0,0|3,0,0]=4 451 B9R1.15 CSc1ncccc1Br 1P00DAU5 [1,0,0,0,0,0|3,0,0]=4 452 B9R1.15 CSc1ncccc1C 1P01BWA1 [1,0,0,0,0,0|2,0,0]=3 453 B9R1.15 CSc1ncccc1Cl 1P01DNYD [1,0,0,0,0,0|3,0,0]=4 454 B9R1.15 CSc1ncccc1N 1P00J30S [1,0,0,0,0,0|3,0,0]=4 455 B9R1.15 CSc1nccnc1C 1P002X49 [1,0,0,0,0,0|1,0,0]=2 456 B9R1.15 ClCc1cccnc1C 1P00EKAT [1,0,0,0,0,0|2,0,1]=4 457 B9R1.15 ClCc1ncccc1C 1P00DBUW [1,0,0,0,0,0|2,0,1]=4 458 B9R1.15 ClCc1ncccc1C 1P00DD4J [1,0,0,0,0,0|2,0,1]=4 459 B9R1.15 ClCc1nccnc1C 1P001VYQ [1,0,0,0,0,0|1,0,1]=3 460 B9R1.15 ClCc1nccnc1Cl 1P00DK1Z [1,0,0,0,0,0|2,0,1]=4 461 B9R1.15 N#Cc1cccnc1C 1P00APLN [1,0,0,0,0,0|2,0,1]=4 462 B9R1.15 N#Cc1ncccc1C 1P002KUH [1,0,0,0,0,0|2,0,1]=4 463 B9R1.15 N#Cc1nccnc1Br 1P000NFI [1,0,0,0,0,0|2,0,1]=4 464 B9R1.15 N#Cc1nccnc1C 1P00FAHW [1,0,0,0,0,0|1,0,1]=3 465 B9R1.15 N#Cc1nccnc1Cl 1P00345A [1,0,0,0,0,0|2,0,1]=4 466 B9R1.15 N#Cc1nccnc1N 1P002RGH [1,0,0,0,0,0|2,0,1]=4 467 B9R1.15 N#Cc1nccnc1S 1P028YSA [1,0,0,0,0,0|2,0,1]=4 468 B9R1.15 NCc1cccnc1C 1P00EDWW [1,0,0,0,0,0|2,0,1]=4 469 B9R1.15 NCc1cccnc1C 1P00IAV8 [1,0,0,0,0,0|2,0,1]=4 470 B9R1.15 NCc1ncccc1C 1P0038IX [1,0,0,0,0,0|2,0,1]=4 471 B9R1.15 NCc1ncccc1C 1P003AQ0 [1,0,0,0,0,0|2,0,1]=4 472 B9R1.15 NCc1ncccc1C 1P00IN6R [1,0,0,0,0,0|2,0,1]=4 473 B9R1.15 NCc1nccnc1C 1P00HYI0 [1,0,0,0,0,0|1,0,1]=3 474 B9R1.15 NCc1nccnc1C 1P01JUQD [1,0,0,0,0,0|1,0,1]=3 475 B9R1.15 NCc1nccnc1Cl 1P0036SQ [1,0,0,0,0,0|2,0,1]=4 476 B9R1.15 NCc1nccnc1Cl 1P005Y3P [1,0,0,0,0,0|2,0,1]=4 477 B9R1.15 NCc1nccnc1N 1P002RGF [1,0,0,0,0,0|2,0,1]=4 478 B9R1.15 NCc1nccnc1O 1P028A3M [1,0,0,0,0,0|2,0,1]=4 479 B9R1.15 NNc1cccnc1C 1P00IMPU [1,0,0,0,0,0|3,0,0]=4 480 B9R1.15 NNc1ncccc1C 1P00DDGM [1,0,0,0,0,0|3,0,0]=4 481 B9R1.15 NNc1nccnc1C 1P002C0X [1,0,0,0,0,0|2,0,0]=3 482 B9R1.15 NNc1nccnc1Cl 1P003HC9 [1,0,0,0,0,0|3,0,0]=4 483 B9R1.15 NNc1nccnc1F 1P00R6M7 [1,0,0,0,0,0|3,0,0]=4 484 B9R1.15 O=Cc1ccccc1Br 1P003H83 [1,0,0,0,0,0|3,0,0]=4 485 B9R1.15 O=Cc1ccccc1C 1P0032QN [1,0,0,0,0,0|2,0,0]=3 486 B9R1.15 O=Cc1ccccc1Cl 1P0033PS [1,0,0,0,0,0|3,0,0]=4 487 B9R1.15 O=Cc1ccccc1F 1P003HS2 [1,0,0,0,0,0|3,0,0]=4 488 B9R1.15 O=Cc1ccccc1I 1P002SZ0 [1,0,0,0,0,0|3,0,0]=4 489 B9R1.15 O=Cc1ccccc1N 1P00I9WT [1,0,0,0,0,0|3,0,0]=4 490 B9R1.15 O=Cc1cccnc1Br 1P000Y70 [1,0,0,0,0,0|2,0,0]=3 491 B9R1.15 O=Cc1cccnc1C 1P00EDM2 [1,0,0,0,0,0|1,0,0]=2 492 B9R1.15 O=Cc1cccnc1Cl 1P003HC8 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.15 O=Cc1cccnc1F 1P003991 [1,0,0,0,0,0|2,0,0]=3 494 B9R1.15 O=Cc1cccnc1N 1P0033JT [1,0,0,0,0,0|2,0,0]=3 495 B9R1.15 O=Cc1cccnc1O 1P01XDHM [1,0,0,0,0,0|2,0,0]=3 496 B9R1.15 O=Cc1ccncc1C 1P005AUA [1,0,0,0,0,0|3,0,0]=4 497 B9R1.15 O=Cc1cnccc1C 1P00D9CN [1,0,0,0,0,0|3,0,0]=4 498 B9R1.15 O=Cc1cncnc1N 1P001UPA [1,0,0,0,0,0|3,0,0]=4 499 B9R1.15 O=Cc1ncccc1Br 1P00342J [1,0,0,0,0,0|2,0,0]=3 500 B9R1.15 O=Cc1ncccc1C 1P003K64 [1,0,0,0,0,0|1,0,0]=2 501 B9R1.15 O=Cc1ncccc1Cl 1P002B0R [1,0,0,0,0,0|2,0,0]=3 502 B9R1.15 O=Cc1ncccc1F 1P00346F [1,0,0,0,0,0|2,0,0]=3 503 B9R1.15 O=Cc1ncccc1N 1P0037JT [1,0,0,0,0,0|2,0,0]=3 504 B9R1.15 O=Cc1ncccc1O 1P007SB0 [1,0,0,0,0,0|2,0,0]=3 505 B9R1.15 O=Cc1nccnc1C 1P00BGLJ [1,0,0,0,0,0|0,0,0]=1 506 B9R1.15 O=Cc1nccnc1Cl 1P0081RE [1,0,0,0,0,0|1,0,0]=2 507 B9R1.15 O=Cc1nccnc1F 1P00I4F3 [1,0,0,0,0,0|1,0,0]=2 508 B9R1.15 O=Cc1nccnc1N 1P0039AI [1,0,0,0,0,0|1,0,0]=2 509 B9R1.15 O=Cc1ncncc1C 1P01EMMI [1,0,0,0,0,0|2,0,0]=3 510 B9R1.15 O=Cc1ncncc1N 1P00II0O [1,0,0,0,0,0|3,0,0]=4 511 B9R1.15 O=Nc1ccccc1C 1P00EG52 [1,0,0,0,0,0|3,0,0]=4 512 B9R1.15 O=c1c(C=O)ccc[nH]1 1P003HWG [1,0,0,0,0,0|2,0,1]=4 513 B9R1.15 OCc1cccnc1C 1P003BPS [1,0,0,0,0,0|1,0,2]=4 514 B9R1.15 OCc1ncccc1C 1P00E9TF [1,0,0,0,0,0|1,0,2]=4 515 B9R1.15 OCc1nccnc1C 1P001VUR [1,0,0,0,0,0|0,0,2]=3 516 B9R1.15 OCc1nccnc1Cl 1P0041GK [1,0,0,0,0,0|1,0,2]=4 517 B9R1.15 OCc1nccnc1N 1P00CJWI [1,0,0,0,0,0|1,0,2]=4 518 B9R1.15 [C-]#[N+]c1ncccc1C 1P01SF7K [1,0,0,0,0,0|2,0,1]=4 519 B11R1.53 BrCc1ccccc1C(=O)O 1P003FGO [0,1,0,0,0,0|3,0,0]=4 520 B11R1.53 BrCc1cccnc1[N+](=O)[O-] 1P01BEK0 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.53 BrCc1ncccc1[N+](=O)[O-] 1P002J2E [0,1,0,0,0,0|3,0,0]=4 522 B11R1.53 C#Cc1ccccc1C(=O)C 1P0095DR [0,1,0,0,0,0|2,0,1]=4 523 B11R1.53 C=Cc1ccccc1C(=O)C 1P00DTOA [0,1,0,0,0,0|2,0,1]=4 524 B11R1.53 CCc1ccccc1C(=O)C 1P0039TF [0,1,0,0,0,0|2,0,0]=3 525 B11R1.53 CCc1ccccc1C(=O)N 1P006JB8 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.53 CCc1ccccc1C(=O)O 1P0036IN [0,1,0,0,0,0|3,0,0]=4 527 B11R1.53 CCc1ccccc1S(=O)C 1P002U15 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.53 CCc1cccnc1C(=O)C 1P01A4AN [0,1,0,0,0,0|1,0,0]=2 529 B11R1.53 CCc1cccnc1C(=O)O 1P01A48I [0,1,0,0,0,0|2,0,0]=3 530 B11R1.53 CCc1cnccc1C(=O)C 1P00CU65 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.53 CCc1ncccc1C(=O)O 1P003KCW [0,1,0,0,0,0|2,0,0]=3 532 B11R1.53 CCc1ncccc1C(=O)O 1P028FW1 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.53 CCc1nccnc1C(=O)C 1P003BMM [0,1,0,0,0,0|0,0,0]=1 534 B11R1.53 CCc1nccnc1C(=O)O 1P0292OU [0,1,0,0,0,0|1,0,0]=2 535 B11R1.53 CCc1ncncc1C(=O)O 1P019VM6 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.53 CNc1ccccc1C(=O)C 1P00AM66 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.53 CNc1ccccc1C(=O)N 1P005F2G [0,1,0,0,0,0|3,0,0]=4 538 B11R1.53 CNc1ccccc1C(=O)O 1P000PGJ [0,1,0,0,0,0|3,0,0]=4 539 B11R1.53 CNc1cccnc1N(C)C 1P019YR3 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.53 CNc1cccnc1N(C)C 1P019YYS [0,1,0,0,0,0|3,0,0]=4 541 B11R1.53 CNc1ncccc1C(=O)N 1P009T1Y [0,1,0,0,0,0|2,0,0]=3 542 B11R1.53 CNc1ncccc1C(=O)O 1P00C64E [0,1,0,0,0,0|2,0,0]=3 543 B11R1.53 CNc1ncccc1[N+](=O)[O-] 1P00C0LO [0,1,0,0,0,0|3,0,0]=4 544 B11R1.53 COc1ccccc1C(=C)C 1P02495N [0,1,0,0,0,0|3,0,0]=4 545 B11R1.53 COc1ccccc1C(=O)C 1P0032QL [0,1,0,0,0,0|2,0,0]=3 546 B11R1.53 COc1ccccc1C(=O)Cl 1P003TWC [0,1,0,0,0,0|3,0,0]=4 547 B11R1.53 COc1ccccc1C(=O)N 1P003I0E [0,1,0,0,0,0|3,0,0]=4 548 B11R1.53 COc1ccccc1C(=O)O 1P0035VZ [0,1,0,0,0,0|3,0,0]=4 549 B11R1.53 COc1cccnc1C(=O)C 1P00CJ7A [0,1,0,0,0,0|1,0,0]=2 550 B11R1.53 COc1cccnc1C(=O)O 1P001VJY [0,1,0,0,0,0|2,0,0]=3 551 B11R1.53 COc1cccnc1C(N)C 1P028WRX [0,1,0,0,0,0|2,0,1]=4 552 B11R1.53 COc1cccnc1[N+](=O)[O-] 1P003K3G [0,1,0,0,0,0|3,0,0]=4 553 B11R1.53 COc1ccncc1C(=O)C 1P002FW4 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.53 COc1cnccc1C(=O)C 1P008I9M [0,1,0,0,0,0|3,0,0]=4 555 B11R1.53 COc1cncnc1C(=O)O 1P01DNLM [0,1,0,0,0,0|3,0,0]=4 556 B11R1.53 COc1ncccc1C(=O)C 1P00100M [0,1,0,0,0,0|1,0,0]=2 557 B11R1.53 COc1ncccc1C(=O)N 1P0068DO [0,1,0,0,0,0|2,0,0]=3 558 B11R1.53 COc1ncccc1C(=O)O 1P001VO2 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.53 COc1ncccc1C(=S)N 1P01AB2U [0,1,0,0,0,0|2,1,0]=4 560 B11R1.53 COc1ncccc1C(N)C 1P0095O9 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.53 COc1ncccc1C(O)C 1P008Y6C [0,1,0,0,0,0|1,0,2]=4 562 B11R1.53 COc1ncccc1[C@@H](O)C 1P028DMW [0,1,0,0,0,0|1,0,2]=4 563 B11R1.53 COc1ncccc1[C@H](O)C 1P0290F9 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.53 COc1ncccc1[N+](=O)[O-] 1P0038NN [0,1,0,0,0,0|3,0,0]=4 565 B11R1.53 COc1nccnc1C(=N)N 1P028FTY [0,1,0,0,0,0|2,0,0]=3 566 B11R1.53 COc1nccnc1C(=O)O 1P0038CU [0,1,0,0,0,0|1,0,0]=2 567 B11R1.53 COc1nccnc1C(C)C 1P003BPA [0,1,0,0,0,0|1,0,1]=3 568 B11R1.53 COc1nccnc1C(C)C 1P00GRPQ [0,1,0,0,0,0|1,0,1]=3 569 B11R1.53 COc1ncncc1C(=O)O 1P003M5Q [0,1,0,0,0,0|3,0,0]=4 570 B11R1.53 CSc1ccccc1C(=O)C 1P001JET [0,1,0,0,0,0|2,0,0]=3 571 B11R1.53 CSc1ccccc1C(=O)O 1P003FK5 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.53 CSc1cccnc1C(=O)O 1P01C5LN [0,1,0,0,0,0|2,0,0]=3 573 B11R1.53 CSc1ncccc1C(=O)O 1P003FKD [0,1,0,0,0,0|2,0,0]=3 574 B11R1.53 CSc1ncccc1[N+](=O)[O-] 1P00J8HQ [0,1,0,0,0,0|3,0,0]=4 575 B11R1.53 CSc1nccnc1C(=O)O 1P01BU2C [0,1,0,0,0,0|1,0,0]=2 576 B11R1.53 ClCc1ccccc1C(=O)Cl 1P00IMVP [0,1,0,0,0,0|3,0,0]=4 577 B11R1.53 ClCc1ccccc1C(=O)O 1P008GQF [0,1,0,0,0,0|3,0,0]=4 578 B11R1.53 ClCc1ncccc1C(C)C 1P01KL8P [0,1,0,0,0,0|2,0,1]=4 579 B11R1.53 ClCc1ncccc1C(C)C 1P028EQN [0,1,0,0,0,0|2,0,1]=4 580 B11R1.53 FCc1ccccc1C(=O)O 1P01BCSG [0,1,0,0,0,0|3,0,0]=4 581 B11R1.53 N#Cc1ccccc1C(=O)C 1P00GS4B [0,1,0,0,0,0|2,0,1]=4 582 B11R1.53 N#Cc1cccnc1C(=O)C 1P0280JD [0,1,0,0,0,0|1,0,1]=3 583 B11R1.53 N#Cc1cccnc1C(=O)O 1P003JT8 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.53 N#Cc1ncccc1C(=C)C 1P01KLAG [0,1,0,0,0,0|2,0,1]=4 585 B11R1.53 N#Cc1ncccc1C(=O)O 1P0038XD [0,1,0,0,0,0|2,0,1]=4 586 B11R1.53 NCc1ccccc1C(=O)O 1P0001MC [0,1,0,0,0,0|3,0,0]=4 587 B11R1.53 NCc1cccnc1C(=O)O 1P028WR5 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.53 NCc1cccnc1N(C)C 1P00COU7 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.53 NCc1cccnc1N(C)C 1P0280KB [0,1,0,0,0,0|3,0,0]=4 590 B11R1.53 NCc1ncccc1C(=O)O 1P01FIWH [0,1,0,0,0,0|2,0,0]=3 591 B11R1.53 NCc1ncccc1C(C)C 1P028597 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.53 NCc1ncccc1N(C)C 1P01BCTJ [0,1,0,0,0,0|3,0,0]=4 593 B11R1.53 NNc1nccnc1C(C)C 1P01B1Y8 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.53 O=Cc1ccccc1C(=O)C 1P003GRZ [0,1,0,0,0,0|2,0,1]=4 595 B11R1.53 O=Cc1cccnc1C(=O)O 1P007S77 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.53 O=Cc1cccnc1C(=O)O 1P028AKF [0,1,0,0,0,0|2,0,1]=4 597 B11R1.53 O=Cc1ncccc1C(=O)O 1P002O9P [0,1,0,0,0,0|2,0,1]=4 598 B11R1.53 OCc1ccccc1C(=C)C 1P01XCHW [0,1,0,0,0,0|3,0,0]=4 599 B11R1.53 OCc1ccccc1C(=O)N 1P00D1PU [0,1,0,0,0,0|3,0,0]=4 600 B11R1.53 OCc1cccnc1C(=O)N 1P009V80 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.53 OCc1cccnc1C(=O)[O-] 1P01FIAY [0,1,0,0,0,0|2,0,0]=3 602 B11R1.53 OCc1cccnc1C(C)C 1P00BBOI [0,1,0,0,0,0|2,0,1]=4 603 B11R1.53 OCc1cccnc1N(C)C 1P008VMG [0,1,0,0,0,0|3,0,0]=4 604 B11R1.53 OCc1ncccc1C(=O)N 1P0091ZS [0,1,0,0,0,0|2,0,0]=3 605 B11R1.53 OCc1ncccc1C(=O)[O-] 1P01EMT9 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.53 OCc1ncccc1C(C)C 1P00GIUE [0,1,0,0,0,0|2,0,1]=4 607 B11R1.53 OCc1ncccc1N(=O)=O 1P00I7PY [0,1,0,0,0,0|3,0,0]=4 608 B11R1.53 OCc1nccnc1C(=O)N 1P01DWVB [0,1,0,0,0,0|1,0,0]=2 609 B11R1.87 Brc1cccnc1S(=O)(=O)C 1P01KLMG [0,1,0,0,0,0|3,0,0]=4 610 B11R1.87 Brc1ncccc1S(=O)(=O)C 1P00J39M [0,1,0,0,0,0|3,0,0]=4 611 B11R1.87 Brc1nccnc1S(=O)(=O)F 1P028G3J [0,1,0,0,0,0|3,0,0]=4 612 B11R1.87 Brc1nccnc1S(=O)(=O)N 1P028B65 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.87 Cc1ccccc1S(=O)(=N)C 1P01B7K2 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.87 Cc1cccnc1C(N)(C)C 1P01EIM2 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.87 Cc1cccnc1S(=O)(=O)F 1P028EKL [0,1,0,0,0,0|3,0,0]=4 616 B11R1.87 Cc1cccnc1S(=O)(=O)N 1P00FCW5 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.87 Cc1cccnc1S(=O)(=O)O 1P002FOU [0,1,0,0,0,0|3,0,0]=4 618 B11R1.87 Cc1cccnc1[Si](C)(C)C 1P0013NO [0,1,0,0,0,0|2,1,0]=4 619 B11R1.87 Cc1ncccc1S(=O)(=O)Cl 1P027VRB [0,1,0,0,0,0|3,0,0]=4 620 B11R1.87 Cc1ncccc1S(=O)(=O)F 1P028JFQ [0,1,0,0,0,0|3,0,0]=4 621 B11R1.87 Cc1ncccc1S(=O)(=O)N 1P01B483 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.87 Cc1nccnc1C(F)(F)F 1P00K566 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.87 Cc1nccnc1S(=O)(=O)F 1P028499 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.87 Cc1nccnc1S(=O)(=O)N 1P00H176 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.87 Clc1cccnc1S(=O)(=N)C 1P028M4Z [0,1,0,0,0,0|3,0,0]=4 626 B11R1.87 Clc1cccnc1S(=O)(=O)C 1P028JP8 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.87 Clc1ncccc1S(=O)(=O)C 1P00FUUV [0,1,0,0,0,0|3,0,0]=4 628 B11R1.87 Clc1nccnc1S(=O)(=O)C 1P028SGJ [0,1,0,0,0,0|2,0,0]=3 629 B11R1.87 Clc1nccnc1S(=O)(=O)F 1P028HOP [0,1,0,0,0,0|3,0,0]=4 630 B11R1.87 Clc1nccnc1S(=O)(=O)N 1P028XOA [0,1,0,0,0,0|3,0,0]=4 631 B11R1.87 Fc1ncccc1P(=O)(C)C 1P0287U9 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.87 Nc1cccnc1P(=O)(C)C 1P01XC8L [0,1,0,0,0,0|3,0,0]=4 633 B11R1.87 Nc1cccnc1S(=O)(=O)C 1P0053TI [0,1,0,0,0,0|3,0,0]=4 634 B11R1.87 Nc1ncccc1P(=O)(C)C 1P01XCHJ [0,1,0,0,0,0|3,0,0]=4 635 B11R1.87 Nc1ncccc1S(=O)(=O)C 1P01DU2P [0,1,0,0,0,0|3,0,0]=4 636 B11R1.156 CC(=O)c1c(Br)cccc1Br 1P028AUP [0,1,0,0,0,0|3,0,0]=4 637 B11R1.156 CC(=O)c1c(Br)ccnc1F 1P027XPG [0,1,0,0,0,0|2,0,0]=3 638 B11R1.156 CC(=O)c1c(C)cccc1C 1P00I4LM [0,1,0,0,0,0|2,0,0]=3 639 B11R1.156 CC(=O)c1c(C)cccc1F 1P0015D6 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.156 CC(=O)c1c(C)cccc1N 1P00CLH2 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.156 CC(=O)c1c(C)cccc1O 1P00CN54 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.156 CC(=O)c1c(C)cncc1Cl 1P009Y04 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.156 CC(=O)c1c(Cl)cccc1Br 1P000S75 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.156 CC(=O)c1c(Cl)cccc1Cl 1P0029P7 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.156 CC(=O)c1c(Cl)ccnc1Br 1P01KKP2 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.156 CC(=O)c1c(Cl)ccnc1Cl 1P000MYH [0,1,0,0,0,0|2,0,0]=3 647 B11R1.156 CC(=O)c1c(Cl)ncnc1Cl 1P00IN3X [0,1,0,0,0,0|3,0,0]=4 648 B11R1.156 CC(=O)c1c(F)cccc1Br 1P003780 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.156 CC(=O)c1c(F)cccc1Cl 1P0032Z0 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.156 CC(=O)c1c(F)cccc1F 1P0012PF [0,1,0,0,0,0|3,0,0]=4 651 B11R1.156 CC(=O)c1c(F)ccnc1Cl 1P028THW [0,1,0,0,0,0|2,0,0]=3 652 B11R1.156 CC(=O)c1c(F)ccnc1F 1P028NU3 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.156 CC(=O)c1c(N)cccc1Br 1P00IAFF [0,1,0,0,0,0|3,0,0]=4 654 B11R1.156 CC(=O)c1c(N)cccc1Cl 1P002KG8 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.156 CC(=O)c1c(N)cccc1F 1P00IERD [0,1,0,0,0,0|3,0,0]=4 656 B11R1.156 CC(=O)c1c(N)ccnc1Cl 1P01K20E [0,1,0,0,0,0|2,0,0]=3 657 B11R1.156 CC(=O)c1c(O)cccc1Br 1P00DIC5 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.156 CC(=O)c1c(O)cccc1Cl 1P003AA6 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.156 CC(=O)c1c(O)cccc1F 1P003HRI [0,1,0,0,0,0|3,0,0]=4 660 B11R1.156 CC(=O)c1c(O)cccc1O 1P0033IE [0,1,0,0,0,0|3,0,0]=4 661 B11R1.156 ClC(=O)c1c(C)cccc1C 1P006Z60 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.156 ClC(=O)c1c(C)cccc1Cl 1P003HHJ [0,1,0,0,0,0|3,0,0]=4 663 B11R1.156 ClC(=O)c1c(C)cccc1F 1P00D9F9 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.156 NC(=O)c1c(Br)ccnc1F 1P027YBR [0,1,0,0,0,0|3,0,0]=4 665 B11R1.156 NC(=O)c1c(C)cccc1C 1P00D8N6 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.156 NC(=O)c1c(C)cccc1Cl 1P000458 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.156 NC(=O)c1c(C)cccc1F 1P00IFRN [0,1,0,0,0,0|3,0,0]=4 668 B11R1.156 NC(=O)c1c(C)cccc1N 1P002HEE [0,1,0,0,0,0|3,0,0]=4 669 B11R1.156 NC(=O)c1c(C)ccnc1Cl 1P003HE5 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.156 NC(=O)c1c(Cl)ccnc1Cl 1P00FGPQ [0,1,0,0,0,0|3,0,0]=4 671 B11R1.156 NC(=O)c1c(N)ccnc1Cl 1P01BAWX [0,1,0,0,0,0|3,0,0]=4 672 B11R1.156 OC(=O)c1c(Br)ccnc1Br 1P000TYN [0,1,0,0,0,0|3,0,0]=4 673 B11R1.156 OC(=O)c1c(Br)ccnc1Cl 1P008Y1J [0,1,0,0,0,0|3,0,0]=4 674 B11R1.156 OC(=O)c1c(Br)ccnc1F 1P009YSQ [0,1,0,0,0,0|3,0,0]=4 675 B11R1.156 OC(=O)c1c(C)cccc1Br 1P00GRQG [0,1,0,0,0,0|3,0,0]=4 676 B11R1.156 OC(=O)c1c(C)cccc1C 1P003GM9 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.156 OC(=O)c1c(C)cccc1Cl 1P003HHH [0,1,0,0,0,0|3,0,0]=4 678 B11R1.156 OC(=O)c1c(C)cccc1F 1P0033S6 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.156 OC(=O)c1c(C)cccc1I 1P00D95D [0,1,0,0,0,0|3,0,0]=4 680 B11R1.156 OC(=O)c1c(C)cccc1N 1P003GZC [0,1,0,0,0,0|3,0,0]=4 681 B11R1.156 OC(=O)c1c(C)cccc1O 1P003HVP [0,1,0,0,0,0|3,0,0]=4 682 B11R1.156 OC(=O)c1c(C)ccnc1Br 1P00FHU2 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.156 OC(=O)c1c(C)ccnc1C 1P00D8TI [0,1,0,0,0,0|2,0,0]=3 684 B11R1.156 OC(=O)c1c(C)ccnc1C 1P00HTJL [0,1,0,0,0,0|2,0,0]=3 685 B11R1.156 OC(=O)c1c(C)ccnc1Cl 1P001IJO [0,1,0,0,0,0|3,0,0]=4 686 B11R1.156 OC(=O)c1c(C)ccnc1N 1P00C7KB [0,1,0,0,0,0|3,0,0]=4 687 B11R1.156 OC(=O)c1c(C)ccnc1N 1P01BU67 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.156 OC(=O)c1c(C)ccnc1O 1P00CHZT [0,1,0,0,0,0|3,0,0]=4 689 B11R1.156 OC(=O)c1c(C)ncnc1C 1P001PV0 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.156 OC(=O)c1c(Cl)ccnc1Br 1P00HIVI [0,1,0,0,0,0|3,0,0]=4 691 B11R1.156 OC(=O)c1c(Cl)ccnc1C 1P006BHX [0,1,0,0,0,0|2,0,0]=3 692 B11R1.156 OC(=O)c1c(Cl)ccnc1C 1P02845H [0,1,0,0,0,0|2,0,0]=3 693 B11R1.156 OC(=O)c1c(Cl)ccnc1Cl 1P002SW3 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.156 OC(=O)c1c(Cl)ccnc1F 1P019ZN7 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.156 OC(=O)c1c(Cl)ccnc1N 1P00EIVF [0,1,0,0,0,0|3,0,0]=4 696 B11R1.156 OC(=O)c1c(F)ccnc1Br 1P008XEN [0,1,0,0,0,0|3,0,0]=4 697 B11R1.156 OC(=O)c1c(F)ccnc1Cl 1P0037AL [0,1,0,0,0,0|3,0,0]=4 698 B11R1.156 OC(=O)c1c(F)ccnc1F 1P00GA7Q [0,1,0,0,0,0|3,0,0]=4 699 B11R1.156 OC(=O)c1c(F)ccnc1O 1P00I0IO [0,1,0,0,0,0|3,0,0]=4 700 B11R1.156 OC(=O)c1c(I)ccnc1Cl 1P00IA77 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.156 OC(=O)c1c(I)ccnc1F 1P0036IV [0,1,0,0,0,0|3,0,0]=4 702 B11R1.156 OC(=O)c1c(N)ccnc1Br 1P0095PJ [0,1,0,0,0,0|3,0,0]=4 703 B11R1.156 OC(=O)c1c(N)ccnc1Cl 1P00068T [0,1,0,0,0,0|3,0,0]=4 704 B11R1.156 OC(=O)c1c(O)ccnc1Br 1P000G98 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.156 OC(=O)c1c(O)ccnc1O 1P023PBW [0,1,0,0,0,0|3,0,0]=4 706 B11R1.156 [O-][N+](=O)c1c(Br)ccnc1C 1P002MIC [0,1,0,0,0,0|3,0,0]=4 707 B11R1.156 [O-][N+](=O)c1c(C)ccnc1C 1P00855M [0,1,0,0,0,0|3,0,0]=4 708 B11R1.156 [O-][N+](=O)c1c(Cl)ccnc1C 1P002MIK [0,1,0,0,0,0|3,0,0]=4 709 B11R1.156 [O-][N+](=O)c1c(N)ccnc1C 1P002ULQ [0,1,0,0,0,0|3,0,0]=4 710 B11R1.159 CC(=O)c1cccc(c1Br)C 1P00IIM4 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1P00HZ61 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.159 CC(=O)c1cccc(c1Br)F 1P001T0Q [0,1,0,0,0,0|3,0,0]=4 713 B11R1.159 CC(=O)c1cccc(c1Br)O 1P01FRM3 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.159 CC(=O)c1cccc(c1C)Br 1P00E3BI [0,1,0,0,0,0|2,0,0]=3 715 B11R1.159 CC(=O)c1cccc(c1C)C 1P0036P4 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.159 CC(=O)c1cccc(c1C)Cl 1P01FFEK [0,1,0,0,0,0|2,0,0]=3 717 B11R1.159 CC(=O)c1cccc(c1C)I 1P01JKQ6 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.159 CC(=O)c1cccc(c1C)O 1P00FOJ5 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1P001T0N [0,1,0,0,0,0|3,0,0]=4 720 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1P003BKI [0,1,0,0,0,0|3,0,0]=4 721 B11R1.159 CC(=O)c1cccc(c1Cl)F 1P001T0R [0,1,0,0,0,0|3,0,0]=4 722 B11R1.159 CC(=O)c1cccc(c1F)Br 1P001T0O [0,1,0,0,0,0|3,0,0]=4 723 B11R1.159 CC(=O)c1cccc(c1F)C 1P00IEL8 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.159 CC(=O)c1cccc(c1F)Cl 1P001T0P [0,1,0,0,0,0|3,0,0]=4 725 B11R1.159 CC(=O)c1cccc(c1F)F 1P002852 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.159 CC(=O)c1cccc(c1F)N 1P01DS75 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.159 CC(=O)c1cccc(c1F)O 1P0094QQ [0,1,0,0,0,0|3,0,0]=4 728 B11R1.159 CC(=O)c1cccc(c1N)C 1P00DKM6 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.159 CC(=O)c1cccc(c1N)Cl 1P00EET9 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.159 CC(=O)c1cccc(c1N)F 1P00AFYS [0,1,0,0,0,0|3,0,0]=4 731 B11R1.159 CC(=O)c1cccc(c1N)O 1P00I8Y2 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.159 CC(=O)c1cccc(c1O)Br 1P00287B [0,1,0,0,0,0|3,0,0]=4 733 B11R1.159 CC(=O)c1cccc(c1O)C 1P0032Z6 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.159 CC(=O)c1cccc(c1O)Cl 1P0038IK [0,1,0,0,0,0|3,0,0]=4 735 B11R1.159 CC(=O)c1cccc(c1O)F 1P003412 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.159 CC(=O)c1cccc(c1O)N 1P00ICL0 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.159 CC(=O)c1cccc(c1O)N 1P00IGF1 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.159 CC(=O)c1ccnc(c1C)Cl 1P01K15G [0,1,0,0,0,0|3,0,0]=4 739 B11R1.159 CC(=O)c1nccc(c1C)Cl 1P01AFX7 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.159 CC(=O)c1nccc(c1F)Cl 1P01XCP3 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.159 ClC(=O)c1cccc(c1C)F 1P001Y92 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.159 Cn1ccnc(c1=O)C(=O)N 1P028I3K [0,1,0,0,0,0|2,0,1]=4 743 B11R1.159 NC(=O)c1cccc(c1C)Br 1P00H1U4 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.159 NC(=O)c1cccc(c1C)C 1P003G0Y [0,1,0,0,0,0|3,0,0]=4 745 B11R1.159 NC(=O)c1cccc(c1C)Cl 1P00I4CG [0,1,0,0,0,0|3,0,0]=4 746 B11R1.159 NC(=O)c1cccc(c1C)F 1P00GYLJ [0,1,0,0,0,0|3,0,0]=4 747 B11R1.159 NC(=O)c1cccc(c1C)N 1P007A39 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.159 NC(=O)c1nccc(c1Cl)Cl 1P00088S [0,1,0,0,0,0|3,0,0]=4 749 B11R1.159 OC(=O)c1cccc(c1C)Br 1P00342N [0,1,0,0,0,0|3,0,0]=4 750 B11R1.159 OC(=O)c1cccc(c1C)Cl 1P003JNW [0,1,0,0,0,0|3,0,0]=4 751 B11R1.159 OC(=O)c1cccc(c1C)F 1P003JVX [0,1,0,0,0,0|3,0,0]=4 752 B11R1.159 OC(=O)c1cccc(c1C)I 1P0014WQ [0,1,0,0,0,0|3,0,0]=4 753 B11R1.159 OC(=O)c1cccc(c1C)N 1P00I9SE [0,1,0,0,0,0|3,0,0]=4 754 B11R1.159 OC(=O)c1cccc(c1C)O 1P00346U [0,1,0,0,0,0|3,0,0]=4 755 B11R1.159 OC(=O)c1nccc(c1Br)Br 1P028T4T [0,1,0,0,0,0|3,0,0]=4 756 B11R1.159 OC(=O)c1nccc(c1Br)C 1P0249AW [0,1,0,0,0,0|3,0,0]=4 757 B11R1.159 OC(=O)c1nccc(c1C)Br 1P0074G7 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.159 OC(=O)c1nccc(c1C)Cl 1P002ZSZ [0,1,0,0,0,0|2,0,0]=3 759 B11R1.159 OC(=O)c1nccc(c1C)Cl 1P028F7I [0,1,0,0,0,0|2,0,0]=3 760 B11R1.159 OC(=O)c1nccc(c1C)N 1P028S2R [0,1,0,0,0,0|2,0,0]=3 761 B11R1.159 OC(=O)c1nccc(c1C)O 1P027WF1 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.159 OC(=O)c1nccc(c1Cl)Cl 1P0033Z4 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.159 OC(=O)c1nccc(c1Cl)F 1P028S5G [0,1,0,0,0,0|3,0,0]=4 764 B11R1.159 OC(=O)c1nccc(c1Cl)N 1P00583Q [0,1,0,0,0,0|3,0,0]=4 765 B11R1.159 OC(=O)c1nccc(c1Cl)N 1P028PPW [0,1,0,0,0,0|3,0,0]=4 766 B11R1.159 OC(=O)c1nccc(c1F)C 1P027ZEP [0,1,0,0,0,0|3,0,0]=4 767 B11R1.159 OC(=O)c1nccc(c1F)Cl 1P01A4YO [0,1,0,0,0,0|3,0,0]=4 768 B11R1.159 OC(=O)c1nccc(c1N)C 1P00E45O [0,1,0,0,0,0|3,0,0]=4 769 B11R1.159 OC(=O)c1nccc(c1N)C 1P028AG0 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.159 OC(=O)c1nccc(c1O)Br 1P01BGOW [0,1,0,0,0,0|3,0,0]=4 771 B11R1.159 OC(=O)c1nccc(c1O)Br 1P028QAY [0,1,0,0,0,0|3,0,0]=4 772 B11R1.159 OC(=O)c1nccc(c1O)C 1P01B7CB [0,1,0,0,0,0|3,0,0]=4 773 B11R1.159 OC(=O)c1nccc(c1O)C 1P01BSPE [0,1,0,0,0,0|3,0,0]=4 774 B11R1.159 OC(=O)c1ncnc(c1C)C 1P00II1S [0,1,0,0,0,0|3,0,0]=4 775 B11R1.159 OC(=O)c1ncnc(c1C)Cl 1P006GOE [0,1,0,0,0,0|3,0,0]=4 776 B11R1.159 [O-]C(=O)c1nccn(c1=O)C 1P02917K [0,1,0,0,0,0|2,0,1]=4 777 B11R1.166 Brc1ccc(c(c1)Br)C(=O)C 1P007H6P [0,1,0,0,0,0|3,0,0]=4 778 B11R1.166 Brc1ccc(c(c1)C)C(=O)C 1P00ED87 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.166 Brc1ccc(c(c1)C)C(=O)O 1P0034EB [0,1,0,0,0,0|3,0,0]=4 780 B11R1.166 Brc1ccc(c(c1)Cl)C(=O)C 1P0036LO [0,1,0,0,0,0|3,0,0]=4 781 B11R1.166 Brc1ccc(c(c1)F)C(=O)C 1P00EBSE [0,1,0,0,0,0|3,0,0]=4 782 B11R1.166 Brc1ccc(c(c1)N)C(=O)C 1P000LN2 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.166 Brc1ccc(c(c1)O)C(=O)C 1P0034E4 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.166 Brc1cnc(c(c1)Br)C(=O)N 1P00IED5 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.166 Brc1cnc(c(c1)Br)C(=O)O 1P00EAZ5 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.166 Brc1cnc(c(c1)C)C(=O)C 1P009EO1 [0,1,0,0,0,0|1,0,0]=2 787 B11R1.166 Brc1cnc(c(c1)C)C(=O)O 1P0034O1 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.166 Brc1cnc(c(c1)C)C(N)C 1P01K07J [0,1,0,0,0,0|2,0,1]=4 789 B11R1.166 Brc1cnc(c(c1)C)[N+](=O)[O-] 1P000ATQ [0,1,0,0,0,0|3,0,0]=4 790 B11R1.166 Brc1cnc(c(c1)Cl)C(=O)C 1P009EVT [0,1,0,0,0,0|2,0,0]=3 791 B11R1.166 Brc1cnc(c(c1)Cl)C(=O)N 1P01FLZK [0,1,0,0,0,0|3,0,0]=4 792 B11R1.166 Brc1cnc(c(c1)Cl)C(=O)O 1P0078H3 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.166 Brc1cnc(c(c1)F)C(=O)C 1P000C2I [0,1,0,0,0,0|2,0,0]=3 794 B11R1.166 Brc1cnc(c(c1)F)C(=O)N 1P00FE8E [0,1,0,0,0,0|3,0,0]=4 795 B11R1.166 Brc1cnc(c(c1)F)C(=O)O 1P0037BM [0,1,0,0,0,0|3,0,0]=4 796 B11R1.166 Brc1cnc(c(c1)I)C(=O)O 1P028UCU [0,1,0,0,0,0|3,0,0]=4 797 B11R1.166 Brc1cnc(c(c1)N)C(=O)N 1P00341U [0,1,0,0,0,0|3,0,0]=4 798 B11R1.166 Brc1cnc(c(c1)N)C(=O)O 1P00341S [0,1,0,0,0,0|3,0,0]=4 799 B11R1.166 Brc1cnc(c(c1)N)C(=O)O 1P00HYG9 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.166 Brc1cnc(c(c1)O)C(=O)C 1P001BB0 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.166 Brc1cnc(c(c1)O)C(=O)O 1P000C3F [0,1,0,0,0,0|3,0,0]=4 802 B11R1.166 CC(=O)c1c[nH]c(=O)nc1C 1P00J2JJ [0,1,0,0,0,0|2,0,0]=3 803 B11R1.166 CC(=O)c1ccc(=O)[nH]c1C 1P00DDQN [0,1,0,0,0,0|1,0,1]=3 804 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl 1P003J9T [0,1,0,0,0,0|2,0,0]=3 805 B11R1.166 CC(=O)c1ccc(nc1Cl)N 1P023Z8I [0,1,0,0,0,0|2,0,0]=3 806 B11R1.166 CC(=O)c1ccc(nc1F)Br 1P024DOV [0,1,0,0,0,0|2,0,0]=3 807 B11R1.166 CC(=O)c1ccc(nc1F)F 1P00635O [0,1,0,0,0,0|2,0,0]=3 808 B11R1.166 CC(=O)c1ncc(nc1Cl)Cl 1P00A9GI [0,1,0,0,0,0|1,0,0]=2 809 B11R1.166 CC(c1ccc(nc1C)N)C 1P02817G [0,1,0,0,0,0|2,0,1]=4 810 B11R1.166 CN(c1ncc(nc1Br)Br)C 1P004VZI [0,1,0,0,0,0|3,0,0]=4 811 B11R1.166 C[C@@H](c1ccc(nc1C)Br)N 1P01FJ0Q [0,1,0,0,0,0|2,0,1]=4 812 B11R1.166 Cc1cc(Br)ncc1C(=O)C 1P023RBX [0,1,0,0,0,0|3,0,0]=4 813 B11R1.166 Cc1ccc(c(c1)Br)C(=O)C 1P00972K [0,1,0,0,0,0|3,0,0]=4 814 B11R1.166 Cc1ccc(c(c1)C)C(=O)C 1P0033GD [0,1,0,0,0,0|2,0,0]=3 815 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl 1P003GB2 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.166 Cc1ccc(c(c1)C)C(=O)N 1P00FJLO [0,1,0,0,0,0|3,0,0]=4 817 B11R1.166 Cc1ccc(c(c1)C)C(=O)O 1P003GB0 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)C 1P00IGPH [0,1,0,0,0,0|3,0,0]=4 819 B11R1.166 Cc1ccc(c(c1)F)C(=O)C 1P002YTP [0,1,0,0,0,0|3,0,0]=4 820 B11R1.166 Cc1ccc(c(c1)N)C(=O)C 1P000JHK [0,1,0,0,0,0|3,0,0]=4 821 B11R1.166 Cc1ccc(c(c1)O)C(=O)C 1P00ICDM [0,1,0,0,0,0|3,0,0]=4 822 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O 1P0092W9 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.166 Cc1ccc(c(n1)C)C(=O)C 1P00AENJ [0,1,0,0,0,0|1,0,0]=2 824 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N 1P00DIZD [0,1,0,0,0,0|3,0,0]=4 825 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O 1P0030WD [0,1,0,0,0,0|3,0,0]=4 826 B11R1.166 Cc1ccc(c(n1)N)C(=O)C 1P01WJXR [0,1,0,0,0,0|2,0,0]=3 827 B11R1.166 Cc1ccc(c(n1)N)C(=O)N 1P009SAB [0,1,0,0,0,0|3,0,0]=4 828 B11R1.166 Cc1ccc(c(n1)N)C(=O)O 1P004QR8 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 1P02865F [0,1,0,0,0,0|3,0,0]=4 830 B11R1.166 Cc1ccc(c(n1)O)C(=O)O 1P003HVQ [0,1,0,0,0,0|3,0,0]=4 831 B11R1.166 Cc1cnc(c(=O)[nH]1)C(=O)N 1P004IS3 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.166 Cc1cnc(c(c1)Br)C(=O)C 1P028ZMO [0,1,0,0,0,0|2,0,0]=3 833 B11R1.166 Cc1cnc(c(c1)Br)C(=O)O 1P0074GB [0,1,0,0,0,0|3,0,0]=4 834 B11R1.166 Cc1cnc(c(c1)C)C(=O)O 1P00DCM0 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.166 Cc1cnc(c(c1)C)C(=O)O 1P01EKM3 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.166 Cc1cnc(c(c1)F)C(=O)O 1P000OUE [0,1,0,0,0,0|3,0,0]=4 837 B11R1.166 Cc1cnc(c(c1)N)C(=O)N 1P0097FN [0,1,0,0,0,0|3,0,0]=4 838 B11R1.166 Cc1cnc(c(c1)N)C(=O)O 1P00E45P [0,1,0,0,0,0|3,0,0]=4 839 B11R1.166 Cc1cnc(c(c1)O)C(=O)O 1P00G237 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.166 Cc1cnc(c(c1)O)C(=O)O 1P01AC8F [0,1,0,0,0,0|3,0,0]=4 841 B11R1.166 Cc1cnc(c(n1)Cl)C(=O)C 1P024HUS [0,1,0,0,0,0|1,0,0]=2 842 B11R1.166 Cc1cnc(c(n1)Cl)C(=O)N 1P024HZX [0,1,0,0,0,0|2,0,0]=3 843 B11R1.166 Cc1cnc(c(n1)Cl)C(C)C 1P000D4L [0,1,0,0,0,0|2,0,1]=4 844 B11R1.166 Cc1cnc(c(n1)N)C(=O)O 1P005ZDF [0,1,0,0,0,0|2,0,0]=3 845 B11R1.166 Cc1nc(Br)ccc1C(=O)O 1P0090B6 [0,1,0,0,0,0|2,0,0]=3 846 B11R1.166 Cc1nc(C)ccc1C(=O)O 1P0092VF [0,1,0,0,0,0|2,0,0]=3 847 B11R1.166 Cc1nc(C)ccc1C(=O)O 1P00EAEW [0,1,0,0,0,0|2,0,0]=3 848 B11R1.166 Cc1nc(C)cnc1C(=O)O 1P00IIVO [0,1,0,0,0,0|1,0,0]=2 849 B11R1.166 Cc1nc(Cl)ccc1C(=O)O 1P0013BC [0,1,0,0,0,0|2,0,0]=3 850 B11R1.166 Cc1nc(Cl)cnc1C(=O)C 1P023PQD [0,1,0,0,0,0|0,0,0]=1 851 B11R1.166 Cc1nc(F)ccc1C(=O)O 1P004F2X [0,1,0,0,0,0|2,0,0]=3 852 B11R1.166 Cc1nc(N)cnc1C(=O)O 1P028XUJ [0,1,0,0,0,0|1,0,0]=2 853 B11R1.166 Cc1ncc(c(c1)C)C(=O)C 1P00HBIZ [0,1,0,0,0,0|3,0,0]=4 854 B11R1.166 Cc1ncc(c(n1)C)C(=O)C 1P00DKKR [0,1,0,0,0,0|2,0,0]=3 855 B11R1.166 Cc1ncc(c(n1)C)C(=O)O 1P0033GG [0,1,0,0,0,0|3,0,0]=4 856 B11R1.166 Clc1ccc(c(c1)Br)C(=O)C 1P008JB4 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.166 Clc1ccc(c(c1)C)C(=O)C 1P00I7SA [0,1,0,0,0,0|2,0,0]=3 858 B11R1.166 Clc1ccc(c(c1)C)C(=O)N 1P0094FZ [0,1,0,0,0,0|3,0,0]=4 859 B11R1.166 Clc1ccc(c(c1)C)C(=O)O 1P003LKH [0,1,0,0,0,0|3,0,0]=4 860 B11R1.166 Clc1ccc(c(c1)C)C(=O)[O-] 1P01K5CT [0,1,0,0,0,0|3,0,0]=4 861 B11R1.166 Clc1ccc(c(c1)Cl)C(=O)C 1P003G7N [0,1,0,0,0,0|3,0,0]=4 862 B11R1.166 Clc1ccc(c(c1)F)C(=O)C 1P0021L4 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.166 Clc1ccc(c(c1)I)C(=O)C 1P02491R [0,1,0,0,0,0|3,0,0]=4 864 B11R1.166 Clc1ccc(c(c1)N)C(=O)C 1P00CJA1 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.166 Clc1ccc(c(c1)O)C(=O)C 1P0034FX [0,1,0,0,0,0|3,0,0]=4 866 B11R1.166 Clc1cnc(c(c1)Br)C(=O)O 1P007RPB [0,1,0,0,0,0|3,0,0]=4 867 B11R1.166 Clc1cnc(c(c1)C)C(=O)C 1P009ETO [0,1,0,0,0,0|1,0,0]=2 868 B11R1.166 Clc1cnc(c(c1)C)C(=O)O 1P008AZG [0,1,0,0,0,0|2,0,0]=3 869 B11R1.166 Clc1cnc(c(c1)C)S(=O)[O-] 1P0292I0 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.166 Clc1cnc(c(c1)C)[N+](=O)[O-] 1P009YO4 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)C 1P001GW6 [0,1,0,0,0,0|2,0,0]=3 872 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)N 1P00DIIO [0,1,0,0,0,0|3,0,0]=4 873 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O 1P0051PB [0,1,0,0,0,0|3,0,0]=4 874 B11R1.166 Clc1cnc(c(c1)F)C(=O)C 1P000OWH [0,1,0,0,0,0|2,0,0]=3 875 B11R1.166 Clc1cnc(c(c1)F)C(=O)N 1P00BFS8 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.166 Clc1cnc(c(c1)F)C(=O)O 1P002JVA [0,1,0,0,0,0|3,0,0]=4 877 B11R1.166 Clc1cnc(c(c1)N)C(=O)N 1P00BD2C [0,1,0,0,0,0|3,0,0]=4 878 B11R1.166 Clc1cnc(c(c1)N)C(=O)O 1P00BJ6D [0,1,0,0,0,0|3,0,0]=4 879 B11R1.166 Clc1cnc(c(c1)N)C(=O)O 1P00DGHQ [0,1,0,0,0,0|3,0,0]=4 880 B11R1.166 Clc1cnc(c(c1)O)C(=O)O 1P01AG9C [0,1,0,0,0,0|3,0,0]=4 881 B11R1.166 Clc1ncc(c(n1)C)C(=O)O 1P002HS4 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.166 Clc1ncc(c(n1)Cl)C(=O)C 1P00H1GG [0,1,0,0,0,0|3,0,0]=4 883 B11R1.166 Fc1ccc(c(c1)Br)C(=O)C 1P0002WP [0,1,0,0,0,0|3,0,0]=4 884 B11R1.166 Fc1ccc(c(c1)C)C(=O)C 1P003LTW [0,1,0,0,0,0|2,0,0]=3 885 B11R1.166 Fc1ccc(c(c1)C)C(=O)Cl 1P006Z5Z [0,1,0,0,0,0|3,0,0]=4 886 B11R1.166 Fc1ccc(c(c1)C)C(=O)N 1P00GYK9 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.166 Fc1ccc(c(c1)C)C(=O)O 1P003LWE [0,1,0,0,0,0|3,0,0]=4 888 B11R1.166 Fc1ccc(c(c1)Cl)C(=O)C 1P0033OH [0,1,0,0,0,0|3,0,0]=4 889 B11R1.166 Fc1ccc(c(c1)F)C(=O)C 1P003G91 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.166 Fc1ccc(c(c1)N)C(=O)C 1P001R2J [0,1,0,0,0,0|3,0,0]=4 891 B11R1.166 Fc1ccc(c(c1)N)C(=O)C 1P01A7C3 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.166 Fc1ccc(c(c1)O)C(=O)C 1P001FX6 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.166 Fc1cnc(c(c1)Br)C(=O)O 1P007RPA [0,1,0,0,0,0|3,0,0]=4 894 B11R1.166 Fc1cnc(c(c1)C)C(=O)O 1P000OVN [0,1,0,0,0,0|2,0,0]=3 895 B11R1.166 Fc1cnc(c(c1)C)C(=O)O 1P028H40 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.166 Fc1cnc(c(c1)Cl)C(=O)O 1P000Y80 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.166 Fc1cnc(c(c1)F)C(=O)C 1P0094JV [0,1,0,0,0,0|2,0,0]=3 898 B11R1.166 Fc1cnc(c(c1)F)C(=O)O 1P0036ZH [0,1,0,0,0,0|3,0,0]=4 899 B11R1.166 Fc1cnc(c(c1)N)C(=O)O 1P028E2S [0,1,0,0,0,0|3,0,0]=4 900 B11R1.166 Fc1cnc(c(c1)O)C(=O)O 1P028V60 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.166 Ic1ccc(c(c1)Br)C(=O)C 1P01JKTV [0,1,0,0,0,0|3,0,0]=4 902 B11R1.166 Ic1ccc(c(c1)C)C(=O)O 1P0014WP [0,1,0,0,0,0|3,0,0]=4 903 B11R1.166 NC(=O)c1ccc(nc1Cl)Cl 1P00EG2B [0,1,0,0,0,0|3,0,0]=4 904 B11R1.166 NC(=O)c1ccc(nc1O)O 1P003GLH [0,1,0,0,0,0|3,0,0]=4 905 B11R1.166 NC(=O)c1ncc(nc1Cl)Cl 1P00BFW3 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.166 Nc1ccc(c(c1)Br)C(=O)C 1P00HJFL [0,1,0,0,0,0|3,0,0]=4 907 B11R1.166 Nc1ccc(c(c1)C)C(=O)C 1P00C7HZ [0,1,0,0,0,0|2,0,0]=3 908 B11R1.166 Nc1ccc(c(c1)C)C(=O)N 1P00DNPM [0,1,0,0,0,0|3,0,0]=4 909 B11R1.166 Nc1ccc(c(c1)C)C(=O)O 1P002Q4Y [0,1,0,0,0,0|3,0,0]=4 910 B11R1.166 Nc1ccc(c(c1)Cl)C(=O)C 1P005RMU [0,1,0,0,0,0|3,0,0]=4 911 B11R1.166 Nc1ccc(c(c1)O)C(=O)C 1P002PTO [0,1,0,0,0,0|3,0,0]=4 912 B11R1.166 Nc1ccc(c(n1)Br)C(=O)O 1P00L9S5 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.166 Nc1ccc(c(n1)Cl)C(=O)O 1P020N2W [0,1,0,0,0,0|3,0,0]=4 914 B11R1.166 Nc1ccc(c(n1)F)C(=O)N 1P0021EC [0,1,0,0,0,0|3,0,0]=4 915 B11R1.166 Nc1ccc(c(n1)F)C(=O)O 1P020KK9 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.166 Nc1cnc(c(c1)C)C(=O)O 1P028OUO [0,1,0,0,0,0|2,0,0]=3 917 B11R1.166 Nc1cnc(c(c1)Cl)C(=O)O 1P0285EA [0,1,0,0,0,0|3,0,0]=4 918 B11R1.166 Nc1nc(Br)ccc1C(=O)N 1P01XDA7 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.166 Nc1nc(Br)ccc1C(=O)O 1P000PTS [0,1,0,0,0,0|3,0,0]=4 920 B11R1.166 Nc1nc(Cl)ccc1C(=O)N 1P003GYX [0,1,0,0,0,0|3,0,0]=4 921 B11R1.166 Nc1nc(Cl)ccc1C(=O)O 1P00ECT0 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.166 Nc1nc(Cl)cnc1C(=O)O 1P000RGG [0,1,0,0,0,0|2,0,0]=3 923 B11R1.166 Nc1ncc(c(n1)C)C(=O)C 1P003MSF [0,1,0,0,0,0|2,0,0]=3 924 B11R1.166 Nc1ncc(c(n1)C)C(=O)O 1P008OZ4 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.166 O=c1ccc(c(o1)C)C(=O)O 1P00BIFY [0,1,0,0,0,0|3,0,0]=4 926 B11R1.166 OC(=O)c1ccc(=O)[nH]c1C 1P00FHPX [0,1,0,0,0,0|2,0,1]=4 927 B11R1.166 OC(=O)c1ccc(nc1Br)Br 1P00D8VK [0,1,0,0,0,0|3,0,0]=4 928 B11R1.166 OC(=O)c1ccc(nc1Br)Cl 1P007ELE [0,1,0,0,0,0|3,0,0]=4 929 B11R1.166 OC(=O)c1ccc(nc1Cl)Br 1P003NKF [0,1,0,0,0,0|3,0,0]=4 930 B11R1.166 OC(=O)c1ccc(nc1Cl)Cl 1P003GK8 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.166 OC(=O)c1ccc(nc1Cl)F 1P007PLV [0,1,0,0,0,0|3,0,0]=4 932 B11R1.166 OC(=O)c1ccc(nc1F)Br 1P0015B1 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.166 OC(=O)c1ccc(nc1F)Cl 1P009I3M [0,1,0,0,0,0|3,0,0]=4 934 B11R1.166 OC(=O)c1ccc(nc1F)F 1P0038E0 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.166 OC(=O)c1n[nH]c(=O)cc1C 1P01DX7M [0,1,0,0,0,0|3,0,0]=4 936 B11R1.166 OC(=O)c1ncc([nH]c1=O)Cl 1P01DFL5 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.166 OC(=O)c1ncc(nc1Cl)Cl 1P0039A1 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.166 Oc1ccc(c(c1)Br)C(=O)C 1P00EITL [0,1,0,0,0,0|3,0,0]=4 939 B11R1.166 Oc1ccc(c(c1)C)C(=O)C 1P008FCZ [0,1,0,0,0,0|2,0,0]=3 940 B11R1.166 Oc1ccc(c(c1)C)C(=O)N 1P01B6TP [0,1,0,0,0,0|3,0,0]=4 941 B11R1.166 Oc1ccc(c(c1)C)C(=O)O 1P003LY6 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.166 Oc1ccc(c(c1)Cl)C(=O)C 1P0036A8 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.166 Oc1ccc(c(c1)F)C(=O)C 1P0032QF [0,1,0,0,0,0|3,0,0]=4 944 B11R1.166 Oc1ccc(c(c1)O)C(=O)C 1P003G9T [0,1,0,0,0,0|3,0,0]=4 945 B11R1.166 Oc1ccc(c(n1)Cl)C(=O)O 1P003HHA [0,1,0,0,0,0|3,0,0]=4 946 B11R1.166 Oc1cnc(c(c1)F)C(=O)O 1P01FGJO [0,1,0,0,0,0|3,0,0]=4 947 B11R1.166 Oc1nc(Br)ccc1C(=O)O 1P01B2M4 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.166 Oc1nnc(c(n1)O)C(=O)N 1P01A42I [0,1,0,0,0,0|3,0,0]=4 949 B11R1.166 [O-]S(=O)c1ccc(nc1C)F 1P028SJC [0,1,0,0,0,0|3,0,0]=4 950 B11R1.166 [O-][N+](=O)c1ccc(nc1C)Br 1P003H6W [0,1,0,0,0,0|3,0,0]=4 951 B11R1.166 [O-][N+](=O)c1ccc(nc1C)C 1P001O3U [0,1,0,0,0,0|3,0,0]=4 952 B11R1.166 [O-][N+](=O)c1ccc(nc1C)Cl 1P003NMB [0,1,0,0,0,0|3,0,0]=4 953 B11R1.166 [O-][N+](=O)c1ccc(nc1C)F 1P003HR5 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.166 [O-][N+](=O)c1ccc(nc1C)N 1P003GZB [0,1,0,0,0,0|3,0,0]=4 955 B11R1.167 Brc1c[nH]c(=O)c(n1)C(=O)N 1P002RQG [0,1,0,0,0,0|2,0,1]=4 956 B11R1.167 Brc1c[nH]c(=O)c(n1)C(=O)O 1P000RHW [0,1,0,0,0,0|2,0,1]=4 957 B11R1.167 Brc1ccc(c(c1)C(=O)C)Br 1P00BXTV [0,1,0,0,0,0|3,0,0]=4 958 B11R1.167 Brc1ccc(c(c1)C(=O)C)C 1P003A5Y [0,1,0,0,0,0|2,0,0]=3 959 B11R1.167 Brc1ccc(c(c1)C(=O)C)Cl 1P008TD3 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.167 Brc1ccc(c(c1)C(=O)C)F 1P002C0I [0,1,0,0,0,0|3,0,0]=4 961 B11R1.167 Brc1ccc(c(c1)C(=O)C)I 1P000SEJ [0,1,0,0,0,0|3,0,0]=4 962 B11R1.167 Brc1ccc(c(c1)C(=O)C)N 1P002XVG [0,1,0,0,0,0|3,0,0]=4 963 B11R1.167 Brc1ccc(c(c1)C(=O)C)O 1P001KWY [0,1,0,0,0,0|3,0,0]=4 964 B11R1.167 Brc1ccc(c(c1)C(=O)N)C 1P00GA8O [0,1,0,0,0,0|3,0,0]=4 965 B11R1.167 Brc1ccc(c(c1)C(=O)O)C 1P0034OE [0,1,0,0,0,0|3,0,0]=4 966 B11R1.167 Brc1ccc(c(n1)C(=O)C)Br 1P024HPX [0,1,0,0,0,0|2,0,0]=3 967 B11R1.167 Brc1ccc(c(n1)C(=O)C)C 1P0285YC [0,1,0,0,0,0|1,0,0]=2 968 B11R1.167 Brc1ccc(c(n1)C(=O)C)F 1P0005GT [0,1,0,0,0,0|2,0,0]=3 969 B11R1.167 Brc1ccc(c(n1)C(=O)N)N 1P00HZLQ [0,1,0,0,0,0|3,0,0]=4 970 B11R1.167 Brc1ccc(c(n1)C(=O)O)Br 1P0079VO [0,1,0,0,0,0|3,0,0]=4 971 B11R1.167 Brc1ccc(c(n1)C(=O)O)C 1P00957Q [0,1,0,0,0,0|2,0,0]=3 972 B11R1.167 Brc1ccc(c(n1)C(=O)O)Cl 1P0038SP [0,1,0,0,0,0|3,0,0]=4 973 B11R1.167 Brc1ccc(c(n1)C(=O)O)F 1P007X84 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.167 Brc1ccc(c(n1)C(=O)O)N 1P0039YC [0,1,0,0,0,0|3,0,0]=4 975 B11R1.167 Brc1ccc(c(n1)C(=O)O)O 1P0038IO [0,1,0,0,0,0|3,0,0]=4 976 B11R1.167 Brc1cnc(c(c1)C(=O)C)C 1P000OWJ [0,1,0,0,0,0|1,0,0]=2 977 B11R1.167 Brc1cnc(c(c1)C(=O)C)C 1P028RZ2 [0,1,0,0,0,0|1,0,0]=2 978 B11R1.167 Brc1cnc(c(c1)C(=O)C)Cl 1P008AZF [0,1,0,0,0,0|2,0,0]=3 979 B11R1.167 Brc1cnc(c(c1)C(=O)C)F 1P003DHX [0,1,0,0,0,0|2,0,0]=3 980 B11R1.167 Brc1cnc(c(c1)C(=O)C)N 1P01ELLE [0,1,0,0,0,0|2,0,0]=3 981 B11R1.167 Brc1cnc(c(c1)C(=O)N)Cl 1P008R0E [0,1,0,0,0,0|3,0,0]=4 982 B11R1.167 Brc1cnc(c(c1)C(=O)N)N 1P00ECWN [0,1,0,0,0,0|3,0,0]=4 983 B11R1.167 Brc1cnc(c(c1)C(=O)O)Br 1P002YIF [0,1,0,0,0,0|3,0,0]=4 984 B11R1.167 Brc1cnc(c(c1)C(=O)O)C 1P0038HX [0,1,0,0,0,0|2,0,0]=3 985 B11R1.167 Brc1cnc(c(c1)C(=O)O)Cl 1P002Y9V [0,1,0,0,0,0|3,0,0]=4 986 B11R1.167 Brc1cnc(c(c1)C(=O)O)F 1P002YB0 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.167 Brc1cnc(c(c1)C(=O)O)N 1P00DMD5 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.167 Brc1cnc(c(c1)C(=O)O)N 1P00I9WN [0,1,0,0,0,0|3,0,0]=4 989 B11R1.167 Brc1cnc(c(c1)C(=O)O)S 1P01AJMI [0,1,0,0,0,0|3,0,0]=4 990 B11R1.167 Brc1cnc(c(c1)[N+](=O)[O-])C 1P0034OD [0,1,0,0,0,0|3,0,0]=4 991 B11R1.167 Brc1cnc(c(n1)C(=O)N)N 1P0026XF [0,1,0,0,0,0|2,0,0]=3 992 B11R1.167 Brc1cnc(c(n1)C(=O)O)Br 1P005YTP [0,1,0,0,0,0|2,0,0]=3 993 B11R1.167 Brc1cnc(c(n1)C(=O)O)N 1P006WST [0,1,0,0,0,0|2,0,0]=3 994 B11R1.167 Brc1cnc(c(n1)C(=O)[O-])O 1P028VYL [0,1,0,0,0,0|2,0,0]=3 995 B11R1.167 Brc1cnc(c(n1)C(C)C)O 1P019FHP [0,1,0,0,0,0|2,0,1]=4 996 B11R1.167 Cc1ccc(c(c1)C(=O)C)Br 1P00GAT6 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.167 Cc1ccc(c(c1)C(=O)C)C 1P0033H7 [0,1,0,0,0,0|2,0,0]=3 998 B11R1.167 Cc1ccc(c(c1)C(=O)C)Cl 1P01V4LI [0,1,0,0,0,0|3,0,0]=4 999 B11R1.167 Cc1ccc(c(c1)C(=O)C)F 1P003BOS [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.167 Cc1ccc(c(c1)C(=O)C)N 1P00BQFJ [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.167 Cc1ccc(c(c1)C(=O)C)O 1P001KX0 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)C 1P00BDAF [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.167 Cc1ccc(c(c1)C(=O)N)C 1P00EO1G [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.167 Cc1ccc(c(c1)C(=O)O)C 1P003GGE [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br 1P0036YE [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br 1P01BJRC [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.167 Cc1ccc(c(n1)C(=O)O)C 1P004THZ [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.167 Cc1ccc(c(n1)C(=O)O)C 1P01FKMT [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl 1P00IG6V [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.167 Cc1ccc(c(n1)C(=O)O)F 1P009DUM [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.167 Cc1ccc(c(n1)C(=O)O)F 1P028ID0 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.167 Cc1ccc(c(n1)C(=O)O)N 1P00DNDY [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.167 Cc1ccc(c(n1)C(=O)O)O 1P001H5Y [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.167 Cc1cnc(c(c1)C(=O)C)Cl 1P0048IR [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.167 Cc1cnc(c(c1)C(=O)N)Cl 1P00ELLE [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.167 Cc1cnc(c(c1)C(=O)N)N 1P0007BB [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.167 Cc1cnc(c(c1)C(=O)O)C 1P028OML [0,1,0,0,0,0|2,0,0]=3 1018 B11R1.167 Cc1cnc(c(c1)C(=O)O)Cl 1P00FBJ9 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.167 Cc1cnc(c(c1)C(=O)O)F 1P008YBJ [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.167 Cc1cnc(c(c1)C(=O)O)N 1P00D8VH [0,1,0,0,0,0|3,0,0]=4 1021 B11R1.167 Cc1cnc(c(n1)C(=O)C)C 1P00DVPJ [0,1,0,0,0,0|0,0,0]=1 1022 B11R1.167 Cc1cnc(c(n1)C(=O)C)C 1P00FQ20 [0,1,0,0,0,0|0,0,0]=1 1023 B11R1.167 Cc1cnc(c(n1)C(=O)C)Cl 1P023RBS [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.167 Cc1cnc(c(n1)C(=O)O)C 1P00BGLH [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.167 Cc1cnc(c(n1)C(=O)O)N 1P00DIDA [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.167 Cc1nnc(c(c1)C(=O)O)C 1P019T97 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.167 Clc1c[nH]c(=O)c(n1)C(=O)N 1P002RQF [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.167 Clc1ccc(c(c1)C(=O)C)Br 1P00H1EO [0,1,0,0,0,0|3,0,0]=4 1029 B11R1.167 Clc1ccc(c(c1)C(=O)C)C 1P00EKVP [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl 1P002PUD [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.167 Clc1ccc(c(c1)C(=O)C)F 1P00DD5T [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.167 Clc1ccc(c(c1)C(=O)C)N 1P001YL0 [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.167 Clc1ccc(c(c1)C(=O)C)O 1P001KWZ [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.167 Clc1ccc(c(c1)C(=O)N)C 1P01A5IM [0,1,0,0,0,0|3,0,0]=4 1035 B11R1.167 Clc1ccc(c(c1)C(=O)O)C 1P003N43 [0,1,0,0,0,0|3,0,0]=4 1036 B11R1.167 Clc1ccc(c(n1)C(=O)C)Cl 1P00IUP8 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.167 Clc1ccc(c(n1)C(=O)C)F 1P01C874 [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.167 Clc1ccc(c(n1)C(=O)N)Br 1P000Y2Y [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.167 Clc1ccc(c(n1)C(=O)N)C 1P01XAI0 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.167 Clc1ccc(c(n1)C(=O)N)Cl 1P00ADE2 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.167 Clc1ccc(c(n1)C(=O)N)N 1P0021EB [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.167 Clc1ccc(c(n1)C(=O)O)Br 1P00GTUK [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.167 Clc1ccc(c(n1)C(=O)O)C 1P000R0C [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl 1P00340O [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.167 Clc1ccc(c(n1)C(=O)O)F 1P003NMF [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.167 Clc1ccc(c(n1)C(=O)O)N 1P00341X [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.167 Clc1cnc(c(c1)C(=O)C)Cl 1P00IUAW [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.167 Clc1cnc(c(c1)C(=O)C)F 1P01JWGL [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.167 Clc1cnc(c(c1)C(=O)N)Cl 1P005YY3 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.167 Clc1cnc(c(c1)C(=O)N)N 1P00EIVG [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.167 Clc1cnc(c(c1)C(=O)O)Br 1P00EA8I [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.167 Clc1cnc(c(c1)C(=O)O)C 1P007BS1 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.167 Clc1cnc(c(c1)C(=O)O)Cl 1P003GE7 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.167 Clc1cnc(c(c1)C(=O)O)F 1P003N39 [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.167 Clc1cnc(c(c1)C(=O)O)N 1P00D8VQ [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.167 Clc1cnc(c(c1)C(=O)O)O 1P003N3J [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.167 Clc1cnc(c(c1)C(=O)[O-])F 1P01BRZM [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.167 Clc1cnc(c(c1)[N+](=O)[O-])C 1P007PLU [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.167 Clc1cnc(c(n1)C(=O)N)Cl 1P0007RV [0,1,0,0,0,0|2,0,0]=3 1060 B11R1.167 Clc1cnc(c(n1)C(=O)N)N 1P0094Y1 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.167 Clc1cnc(c(n1)C(=O)O)Br 1P000RO4 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.167 Clc1cnc(c(n1)C(=O)O)Cl 1P00D5QQ [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.167 Clc1cnc(c(n1)C(=O)O)N 1P00C1PG [0,1,0,0,0,0|2,0,0]=3 1064 B11R1.167 Clc1ncc(c(c1)C(=O)C)C 1P024HU8 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.167 Clc1ncc(c(n1)C(=O)C)C 1P001H73 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.167 Clc1ncc(c(n1)C(=O)O)C 1P006454 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.167 Clc1nnc(c(c1)C(=O)C)Cl 1P022198 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.167 Clc1nnc(c(c1)C(=O)O)C 1P0291JI [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.167 Fc1c[nH]c(=O)c(n1)C(=O)N 1P002RQE [0,1,0,0,0,0|2,0,1]=4 1070 B11R1.167 Fc1ccc(c(c1)C(=O)C)Br 1P0002WR [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.167 Fc1ccc(c(c1)C(=O)C)C 1P002YTO [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.167 Fc1ccc(c(c1)C(=O)C)Cl 1P002ZGZ [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.167 Fc1ccc(c(c1)C(=O)C)F 1P002BMD [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.167 Fc1ccc(c(c1)C(=O)C)I 1P0036EC [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.167 Fc1ccc(c(c1)C(=O)C)N 1P002NO5 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.167 Fc1ccc(c(c1)C(=O)C)O 1P0034Q9 [0,1,0,0,0,0|3,0,0]=4 1077 B11R1.167 Fc1ccc(c(c1)C(=O)N)C 1P0021B5 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.167 Fc1ccc(c(c1)C(=O)O)C 1P0033UR [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.167 Fc1ccc(c(n1)C(=O)C)Br 1P0022RS [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.167 Fc1ccc(c(n1)C(=O)O)Br 1P0039F2 [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.167 Fc1ccc(c(n1)C(=O)O)C 1P01FQ80 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.167 Fc1ccc(c(n1)C(=O)O)Cl 1P01DVIX [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.167 Fc1ccc(c(n1)C(=O)O)F 1P0039VH [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.167 Fc1cnc(c(c1)C(=O)C)Cl 1P003DAB [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.167 Fc1cnc(c(c1)C(=O)C)F 1P001N6P [0,1,0,0,0,0|2,0,0]=3 1086 B11R1.167 Fc1cnc(c(c1)C(=O)N)C 1P028C42 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.167 Fc1cnc(c(c1)C(=O)N)Cl 1P005D1T [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.167 Fc1cnc(c(c1)C(=O)N)N 1P01FZZC [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.167 Fc1cnc(c(c1)C(=O)O)Br 1P00C7NY [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.167 Fc1cnc(c(c1)C(=O)O)Cl 1P003HFD [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.167 Fc1cnc(c(c1)C(=O)O)F 1P004R93 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.167 Fc1cnc(c(c1)C(=O)O)N 1P000PSX [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.167 Fc1cnc(c(c1)C(=O)O)O 1P004K0A [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.167 Fc1cnc(c(c1)[N+](=O)[O-])C 1P01KL0T [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.167 Fc1cnc(c(n1)C(=O)N)F 1P00D5QS [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.167 Ic1ccc(c(c1)C(=O)C)Br 1P0281NL [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.167 Ic1ccc(c(c1)C(=O)C)Cl 1P01JKQA [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.167 Ic1ccc(c(c1)C(=O)C)F 1P00HDLJ [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.167 Ic1ccc(c(c1)C(=O)C)O 1P0061WY [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.167 Ic1ccc(c(c1)C(=O)O)C 1P003N9R [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.167 Ic1cnc(c(c1)C(=O)O)Br 1P00EQR8 [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.167 Ic1cnc(c(c1)C(=O)O)Cl 1P00EAYU [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.167 Ic1cnc(c(c1)C(=O)O)N 1P00DIEJ [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.167 Ic1cnc(c(c1)C(=O)O)O 1P00772C [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.167 Ic1cnc(c(n1)C(=O)O)N 1P008F9C [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.167 Nc1ccc(c(c1)C(=O)C)Br 1P001MLC [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.167 Nc1ccc(c(c1)C(=O)C)C 1P00BQAS [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.167 Nc1ccc(c(c1)C(=O)C)Cl 1P01KYYJ [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.167 Nc1ccc(c(c1)C(=O)C)F 1P00FGTC [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.167 Nc1ccc(c(c1)C(=O)C)F 1P01B8CU [0,1,0,0,0,0|3,0,0]=4 1111 B11R1.167 Nc1ccc(c(c1)C(=O)C)O 1P00DCA9 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.167 Nc1ccc(c(c1)C(=O)N)C 1P00DHRU [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.167 Nc1ccc(c(c1)C(=O)O)C 1P00I5SH [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.167 Nc1ccc(c(n1)C(=O)O)Br 1P007YAZ [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.167 Nc1ccc(c(n1)C(=O)O)C 1P021ZDU [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.167 Nc1cnc(c(c1)C(=O)N)C 1P019RI1 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.167 Nc1cnc(c(c1)C(=O)O)Br 1P028XEX [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.167 Nc1cnc(c(c1)C(=O)O)C 1P007BS0 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.167 Nc1cnc(c(c1)C(=O)O)Cl 1P0070QT [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.167 Oc1ccc(c(c1)C(=O)C)Br 1P0094JS [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.167 Oc1ccc(c(c1)C(=O)C)C 1P0075H7 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.167 Oc1ccc(c(c1)C(=O)C)Cl 1P00IASK [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.167 Oc1ccc(c(c1)C(=O)C)F 1P001L93 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.167 Oc1ccc(c(c1)C(=O)C)N 1P00327Z [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.167 Oc1ccc(c(c1)C(=O)C)O 1P0033H2 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.167 Oc1ccc(c(c1)C(=O)N)C 1P009DJ0 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.167 Oc1ccc(c(c1)C(=O)O)C 1P003935 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.167 Oc1ccc(c(n1)C(=O)O)F 1P00IB64 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.167 Oc1cnc(c(c1)C(=O)O)Cl 1P00CM2Q [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.167 Oc1cnc(c(c1)C(=O)O)N 1P01B303 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.167 Oc1cnc(c(c1)C(=O)O)N 1P01B4FE [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.167 Oc1cnc(c(c1)[N+](=O)[O-])C 1P024HR5 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.222 BrCC(=O)c1ccc[nH]c1=O 1P00BU7Z [0,1,0,0,0,0|2,0,1]=4 1134 B11R1.222 BrCC(=O)c1ccccc1Br 1P00DAWM [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.222 BrCC(=O)c1ccccc1C 1P00DEAM [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.222 BrCC(=O)c1ccccc1Cl 1P003H2D [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.222 BrCC(=O)c1ccccc1F 1P003H2Z [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.222 BrCC(=O)c1ccccc1O 1P002QB5 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.222 C(=O)(CC)c1c(Br)cccn1 1P01FWJT [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.222 CCC(=O)c1ccccc1Br 1P00EK76 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.222 CCC(=O)c1ccccc1C 1P0029P4 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.222 CCC(=O)c1ccccc1Cl 1P00EB73 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.222 CCC(=O)c1ccccc1F 1P003DB2 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.222 CCC(=O)c1ccccc1N 1P000PPD [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.222 CCC(=O)c1ccccc1O 1P003BP5 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.222 CCC(=O)c1ncccc1C 1P00IHC7 [0,1,0,0,0,0|1,0,0]=2 1147 B11R1.222 CCC(c1ncccc1C)N 1P0005CB [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.222 CCC(c1ncccc1C)N 1P01DE76 [0,1,0,0,0,0|2,0,1]=4 1149 B11R1.222 CNC(=O)c1ccccc1Br 1P00EAJD [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.222 CNC(=O)c1ccccc1Cl 1P007ICE [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.222 CNC(=O)c1ccccc1F 1P00DJ9S [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.222 CNC(=O)c1ccccc1I 1P00IASP [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.222 CNC(=O)c1ccccc1N 1P003H0C [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.222 CNC(=O)c1ccccc1O 1P00AC9J [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.222 CNC(=O)c1ccccc1S 1P002DAW [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.222 CNC(=O)c1cccnc1Cl 1P00DJ9W [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.222 CNC(=O)c1cccnc1N 1P004VCL [0,1,0,0,0,0|2,0,0]=3 1158 B11R1.222 CNC(=O)c1ncccc1F 1P01KLCK [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.222 CNC(=O)c1ncccc1O 1P000PPB [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.222 CNC(=O)c1nccnc1N 1P007BM3 [0,1,0,0,0,0|1,0,0]=2 1161 B11R1.222 COC(=O)C1N=CC=CC1=N 1P00ADH1 [0,1,0,0,0,0|2,0,1]=4 1162 B11R1.222 COC(=O)c1ccc[nH]c1=O 1P0004LA [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.222 COC(=O)c1ccc[nH]c1=S 1P005BW3 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.222 COC(=O)c1ccccc1Br 1P0035MK [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.222 COC(=O)c1ccccc1C 1P0036QP [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.222 COC(=O)c1ccccc1Cl 1P003S46 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.222 COC(=O)c1ccccc1F 1P00I87W [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.222 COC(=O)c1ccccc1I 1P0033TT [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.222 COC(=O)c1ccccc1N 1P0035P7 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.222 COC(=O)c1ccccc1O 1P003SJ9 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.222 COC(=O)c1ccccc1S 1P0035PV [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.222 COC(=O)c1cccnc1Br 1P00I9W4 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.222 COC(=O)c1cccnc1Cl 1P003S49 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.222 COC(=O)c1cccnc1F 1P00I8WP [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.222 COC(=O)c1cccnc1N 1P001EOQ [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.222 COC(=O)c1cccnc1O 1P0037A5 [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.222 COC(=O)c1cccoc1=O 1P002RRT [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.222 COC(=O)c1ccncc1C 1P000DX7 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.222 COC(=O)c1ccnnc1Cl 1P01Z9OO [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.222 COC(=O)c1ccnnc1N 1P000OQZ [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.222 COC(=O)c1cncnc1C 1P00AMKM [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.222 COC(=O)c1cncnc1Cl 1P000MZ9 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.222 COC(=O)c1cncnc1N 1P00670W [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.222 COC(=O)c1cncnc1O 1P0038AC [0,1,0,0,0,0|3,0,0]=4 1185 B11R1.222 COC(=O)c1ncc[nH]c1=O 1P002VB9 [0,1,0,0,0,0|1,0,1]=3 1186 B11R1.222 COC(=O)c1ncccc1Br 1P0035NC [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.222 COC(=O)c1ncccc1C 1P003S9R [0,1,0,0,0,0|1,0,0]=2 1188 B11R1.222 COC(=O)c1ncccc1C 1P00HVC1 [0,1,0,0,0,0|1,0,0]=2 1189 B11R1.222 COC(=O)c1ncccc1Cl 1P000CU1 [0,1,0,0,0,0|2,0,0]=3 1190 B11R1.222 COC(=O)c1ncccc1F 1P0035NK [0,1,0,0,0,0|2,0,0]=3 1191 B11R1.222 COC(=O)c1ncccc1I 1P0038X7 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.222 COC(=O)c1ncccc1N 1P0035NA [0,1,0,0,0,0|2,0,0]=3 1193 B11R1.222 COC(=O)c1ncccc1O 1P0037MQ [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.222 COC(=O)c1nccnc1Br 1P0035NE [0,1,0,0,0,0|1,0,0]=2 1195 B11R1.222 COC(=O)c1nccnc1Cl 1P002VB8 [0,1,0,0,0,0|1,0,0]=2 1196 B11R1.222 COC(=O)c1nccnc1F 1P000S9J [0,1,0,0,0,0|1,0,0]=2 1197 B11R1.222 COC(=O)c1nccnc1I 1P001Z7M [0,1,0,0,0,0|1,0,0]=2 1198 B11R1.222 COC(=O)c1nccnc1N 1P001U23 [0,1,0,0,0,0|1,0,0]=2 1199 B11R1.222 COC(=O)c1ncncc1Br 1P0003U0 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.222 COC(=O)c1ncncc1C 1P021LAO [0,1,0,0,0,0|2,0,0]=3 1201 B11R1.222 COC(=O)c1ncncc1Cl 1P000NEX [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.222 COC(=O)c1ncncc1F 1P028CB1 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.222 COC(=O)c1ncncc1N 1P01JUGJ [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.222 Cc1ccncc1C(=O)CBr 1P028ZS9 [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.222 Cc1ccncc1C(=O)OC 1P00BZYE [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.222 Cc1ccnnc1C(=O)OC 1P01P5OJ [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.222 Cc1ncccc1C(=O)CBr 1P00EIIO [0,1,0,0,0,0|1,0,0]=2 1208 B11R1.222 Cc1ncccc1C(=O)CBr 1P01ANK5 [0,1,0,0,0,0|1,0,0]=2 1209 B11R1.222 Cc1ncccc1C(=O)NN 1P007RJ6 [0,1,0,0,0,0|2,0,0]=3 1210 B11R1.222 Cc1ncccc1C(=O)OC 1P003S5I [0,1,0,0,0,0|1,0,0]=2 1211 B11R1.222 Cc1nccnc1C(=O)NN 1P008603 [0,1,0,0,0,0|1,0,0]=2 1212 B11R1.222 Cc1nccnc1C(=O)OC 1P00C7EX [0,1,0,0,0,0|0,0,0]=1 1213 B11R1.222 ClCC(=O)c1ccccc1Cl 1P01A092 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.222 ClCC(=O)c1ccccc1F 1P00DE1J [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.222 ClCC(=O)c1ncccc1F 1P00A0JC [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.222 FCC(=O)c1ccccc1Br 1P009XTQ [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.222 FCC(=O)c1ccccc1C 1P01DW8K [0,1,0,0,0,0|2,0,0]=3 1218 B11R1.222 FCC(=O)c1ccccc1F 1P001CNY [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.222 FCC(=O)c1cccnc1Cl 1P027VJE [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.222 N#CC(=O)c1ccccc1C 1P00EA75 [0,1,0,0,0,0|2,0,1]=4 1221 B11R1.222 NCC(=O)c1ccccc1Br 1P01ALG9 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.222 NCC(=O)c1ccccc1C 1P00FC2T [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.222 NCC(=O)c1ccccc1Cl 1P00AR76 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.222 NCC(=O)c1ccccc1F 1P00GW1J [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.222 NCC(=O)c1ccccc1O 1P01C4S3 [0,1,0,0,0,0|3,0,0]=4 1226 B11R1.222 NCC(=O)c1cccnc1Cl 1P01BSJV [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.222 NCC(=O)c1ncccc1Cl 1P01BS15 [0,1,0,0,0,0|2,0,0]=3 1228 B11R1.222 NN=C(c1ncccc1C)N 1P00D868 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.222 NNC(=O)c1ccccc1C 1P008QFS [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.222 NNC(=O)c1cncnc1C 1P00J2Y6 [0,1,0,0,0,0|3,0,0]=4 1231 B11R1.222 NNC(=O)c1ncccc1C 1P01A2HW [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.222 Nc1ncccc1C(=O)NN 1P00E17H [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.222 Nc1nccnc1C(=O)NN 1P005MEU [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.222 O=CC(=O)c1ccccc1C 1P00EJ1Q [0,1,0,0,0,0|2,0,1]=4 1235 B11R1.222 O=CC(=O)c1ccccc1C 1P01XC2I [0,1,0,0,0,0|2,0,1]=4 1236 B11R1.222 O=CC(c1ccccc1C)C 1P028W93 [0,1,0,0,0,0|2,0,1]=4 1237 B11R1.222 O=CN(c1ccccc1C)C 1P0010A4 [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.222 OCC(=C)c1ccccc1C 1P027Y44 [0,1,0,0,0,0|3,0,0]=4 1239 B11R1.222 OCC(=O)c1ccccc1Br 1P01DFAD [0,1,0,0,0,0|3,0,0]=4 1240 B11R1.222 OCC(=O)c1ccccc1Cl 1P003GQ7 [0,1,0,0,0,0|3,0,0]=4 1241 B9R0.2 CC=CC=CCOC(=O)C 1P001NWK [0,0,1,0,0,0|3,0,0]=4 1242 B9R0.2 CCCC=CC=CC(=O)C 1P028NTR [0,0,1,0,0,0|2,0,1]=4 1243 B9R0.2 C\C=C\C=C\CCC(=O)C 1P028VYS [0,0,1,0,0,0|2,0,1]=4 1244 B9R0.29 ON=C(C(=NO)C)C(=O)C 1P01C1Z7 [0,0,1,0,0,0|2,0,0]=3 1245 B11R2.1 Brc1c[nH]c2c1nccn2 1P00DIBX [0,0,0,1,0,0|2,0,1]=4 1246 B11R2.1 Brc1csc2c1nccn2 1P0079TE [0,0,0,1,0,0|2,0,1]=4 1247 B11R2.1 Brc1n[nH]c2c1nccn2 1P005333 [0,0,0,1,0,0|3,0,0]=4 1248 B11R2.1 Brc1nsc2c1nccn2 1P006B81 [0,0,0,1,0,0|3,0,0]=4 1249 B11R2.1 C=C1CCc2c1cccc2 1P000J6F [0,0,0,1,0,0|3,0,0]=4 1250 B11R2.1 CC1=CCc2c1cccc2 1P005V74 [0,0,0,1,0,0|3,0,0]=4 1251 B11R2.1 CC1CCc2c1nccn2 1P006VKY [0,0,0,1,0,0|1,0,1]=3 1252 B11R2.1 Cc1c[nH]c2c1cccn2 1P003K71 [0,0,0,1,0,0|3,0,0]=4 1253 B11R2.1 Cc1c[nH]c2c1nccc2 1P00C3GO [0,0,0,1,0,0|3,0,0]=4 1254 B11R2.1 Cc1n[nH]c2c1cccn2 1P000DQP [0,0,0,1,0,0|3,0,0]=4 1255 B11R2.1 Cc1n[nH]c2c1nccc2 1P00ANXR [0,0,0,1,0,0|3,0,0]=4 1256 B11R2.1 Cc1n[nH]c2c1nccn2 1P0094EK [0,0,0,1,0,0|2,0,0]=3 1257 B11R2.1 Cc1nsc2c1cccn2 1P0060TS [0,0,0,1,0,0|3,0,0]=4 1258 B11R2.1 Clc1n[nH]c2c1nccn2 1P000RO2 [0,0,0,1,0,0|3,0,0]=4 1259 B11R2.1 Ic1c[nH]c2c1nccn2 1P00IFZF [0,0,0,1,0,0|2,0,1]=4 1260 B11R2.1 N=C1NCc2c1nccc2 1P028ERX [0,0,0,1,0,0|3,0,0]=4 1261 B11R2.1 NC1CCc2c1cccn2 1P009315 [0,0,0,1,0,0|2,0,1]=4 1262 B11R2.1 NC1CCc2c1nccc2 1P009316 [0,0,0,1,0,0|2,0,1]=4 1263 B11R2.1 N[C@@H]1CCc2c1nccc2 1P01KL2G [0,0,0,1,0,0|2,0,1]=4 1264 B11R2.1 N[C@@H]1CCc2c1nccc2 1P024HCH [0,0,0,1,0,0|2,0,1]=4 1265 B11R2.1 N[C@H]1CCc2c1cccn2 1P024TYR [0,0,0,1,0,0|2,0,1]=4 1266 B11R2.1 Nc1[nH]nc2c1nccn2 1P005334 [0,0,0,1,0,0|3,0,0]=4 1267 B11R2.1 Nc1csc2c1nccn2 1P00EEK1 [0,0,0,1,0,0|2,0,1]=4 1268 B11R2.1 Nc1noc2c1nccn2 1P0059R1 [0,0,0,1,0,0|3,0,0]=4 1269 B11R2.1 Nc1snc2c1nccn2 1P028FAJ [0,0,0,1,0,0|2,1,0]=4 1270 B11R2.1 O=C1CCc2c1cccn2 1P00172D [0,0,0,1,0,0|1,0,0]=2 1271 B11R2.1 O=C1CCc2c1cccn2 1P002W77 [0,0,0,1,0,0|1,0,0]=2 1272 B11R2.1 O=C1CCc2c1ccnc2 1P007GGJ [0,0,0,1,0,0|3,0,0]=4 1273 B11R2.1 O=C1CCc2c1cncc2 1P0037KQ [0,0,0,1,0,0|3,0,0]=4 1274 B11R2.1 O=C1CCc2c1nccc2 1P003MQQ [0,0,0,1,0,0|1,0,0]=2 1275 B11R2.1 O=C1COc2c1cccc2 1P00345D [0,0,0,1,0,0|3,0,0]=4 1276 B11R2.1 O=C1COc2c1cccn2 1P00BJBI [0,0,0,1,0,0|2,0,0]=3 1277 B11R2.1 O=C1CSc2c1cccc2 1P000UBJ [0,0,0,1,0,0|3,0,0]=4 1278 B11R2.1 O=C1NCC2=C1CC=CC2 1P002DF9 [0,0,0,1,0,0|3,0,0]=4 1279 B11R2.1 O=C1NCc2c1cccc2 1P0035II [0,0,0,1,0,0|3,0,0]=4 1280 B11R2.1 O=C1NCc2c1cccn2 1P0034S2 [0,0,0,1,0,0|2,0,0]=3 1281 B11R2.1 O=C1NCc2c1nccc2 1P009H7O [0,0,0,1,0,0|2,0,0]=3 1282 B11R2.1 O=C1NCc2c1nccn2 1P01XAKD [0,0,0,1,0,0|1,0,0]=2 1283 B11R2.1 O=C1OCc2c1cccc2 1P003U89 [0,0,0,1,0,0|3,0,0]=4 1284 B11R2.1 O=C1OCc2c1cccn2 1P00393G [0,0,0,1,0,0|2,0,0]=3 1285 B11R2.1 O=C1OCc2c1nccc2 1P00DHC3 [0,0,0,1,0,0|2,0,0]=3 1286 B11R2.1 O=C1SCc2c1cccc2 1P000J6E [0,0,0,1,0,0|3,0,0]=4 1287 B11R2.1 O=c1[nH][nH]c2c1cccn2 1P002YSA [0,0,0,1,0,0|3,0,0]=4 1288 B11R2.1 O=c1[nH][nH]c2c1nccn2 1P008ZLR [0,0,0,1,0,0|2,0,0]=3 1289 B11R2.1 O=c1[nH]oc2c1cccn2 1P001YSK [0,0,0,1,0,0|3,0,0]=4 1290 B11R2.1 OC1CCc2c1cccn2 1P008SIZ [0,0,0,1,0,0|1,0,2]=4 1291 B11R2.1 OC1CCc2c1nccc2 1P003NHM [0,0,0,1,0,0|1,0,2]=4 1292 B11R2.1 O[C@@H]1CCc2c1cccn2 1P00NMHB [0,0,0,1,0,0|1,0,2]=4 1293 B11R2.1 O[C@@H]1CCc2c1nccc2 1P00H2SR [0,0,0,1,0,0|1,0,2]=4 1294 B11R2.1 O[C@H]1CCc2c1cccn2 1P00QDE8 [0,0,0,1,0,0|1,0,2]=4 1295 B11R2.1 O[C@H]1CCc2c1nccc2 1P008BKB [0,0,0,1,0,0|1,0,2]=4 1296 B11R2.55 Clc1nccnc1C2CC2 1P023I0A [0,0,0,1,0,0|2,0,1]=4 1297 B11R2.55 Nc1nccnc1C2CC2 1P00HFD0 [0,0,0,1,0,0|2,0,1]=4 1298 B11R2.468 Brc1cccc2c1C(=O)C2 1P01DZPQ [0,0,0,1,0,0|3,0,0]=4 1299 B11R2.468 Clc1cccc2c1C(=O)C2 1P01DT9P [0,0,0,1,0,0|3,0,0]=4 1300 B11R2.468 Fc1cccc2c1C(=O)C2 1P01BRWO [0,0,0,1,0,0|3,0,0]=4 1301 B9R1.41 CC(=O)c1c(Br)cn[nH]1 1P01EM0Q [0,0,0,0,1,0|2,0,1]=4 1302 B9R1.41 CC(=O)c1c[nH]cc1C 1P002H7O [0,0,0,0,1,0|2,0,0]=3 1303 B9R1.41 CC(=O)c1c[nH]nc1C 1P00941L [0,0,0,0,1,0|1,0,0]=2 1304 B9R1.41 CC(=O)c1cccn1C 1P003GRG [0,0,0,0,1,0|2,0,0]=3 1305 B9R1.41 CC(=O)c1ccnn1C 1P0014IM [0,0,0,0,1,0|1,0,0]=2 1306 B9R1.41 CC(=O)c1ccsc1Br 1P0013HS [0,0,0,0,1,0|2,0,0]=3 1307 B9R1.41 CC(=O)c1ccsc1N 1P00H3GS [0,0,0,0,1,0|2,0,0]=3 1308 B9R1.41 CC(=O)c1cn[nH]c1C 1P00J9CA [0,0,0,0,1,0|1,0,1]=3 1309 B9R1.41 CC(=O)c1cncn1C 1P002KUI [0,0,0,0,1,0|3,0,0]=4 1310 B9R1.41 CC(=O)c1cncn1C 1P01BE59 [0,0,0,0,1,0|3,0,0]=4 1311 B9R1.41 CC(=O)c1cnoc1C 1P00EE7E [0,0,0,0,1,0|2,0,0]=3 1312 B9R1.41 CC(=O)c1conc1Br 1P027W0I [0,0,0,0,1,0|2,0,0]=3 1313 B9R1.41 CC(=O)c1conc1C 1P00ETLU [0,0,0,0,1,0|1,0,0]=2 1314 B9R1.41 CC(=O)c1cscc1Br 1P01AVHJ [0,0,0,0,1,0|3,0,0]=4 1315 B9R1.41 CC(=O)c1cscc1C 1P028JR5 [0,0,0,0,1,0|2,0,0]=3 1316 B9R1.41 CC(=O)c1csnc1C 1P01DWPQ [0,0,0,0,1,0|1,0,0]=2 1317 B9R1.41 CC(=O)c1n[nH]cc1I 1P028ZKO [0,0,0,0,1,0|2,0,0]=3 1318 B9R1.41 CC(=O)c1nccn1C 1P004Q7M [0,0,0,0,1,0|1,0,0]=2 1319 B9R1.41 CC(=O)c1ncnn1C 1P008UEN [0,0,0,0,1,0|1,0,0]=2 1320 B9R1.41 CC(=O)c1ncsc1C 1P01EC4G [0,0,0,0,1,0|1,0,0]=2 1321 B9R1.41 CC(=O)c1nncn1C 1P00AZI6 [0,0,0,0,1,0|2,0,0]=3 1322 B9R1.41 CC(=O)c1nonc1C 1P00ADDZ [0,0,0,0,1,0|1,0,0]=2 1323 B9R1.41 CC(=O)c1nonc1N 1P00AZJ3 [0,0,0,0,1,0|2,0,0]=3 1324 B9R1.41 CC(=O)c1nscc1Br 1P028X0N [0,0,0,0,1,0|2,0,0]=3 1325 B9R1.41 CC(=O)c1occc1Br 1P007QLH [0,0,0,0,1,0|2,0,0]=3 1326 B9R1.41 CC(=O)c1occc1C 1P000VSJ [0,0,0,0,1,0|1,0,0]=2 1327 B9R1.41 CC(=O)c1sccc1Br 1P00C0VH [0,0,0,0,1,0|2,0,0]=3 1328 B9R1.41 CC(=O)c1sccc1C 1P0012U9 [0,0,0,0,1,0|1,0,0]=2 1329 B9R1.41 CC(=O)c1sccc1Cl 1P003GRL [0,0,0,0,1,0|2,0,0]=3 1330 B9R1.41 CC(=O)c1sccc1O 1P00DEZ7 [0,0,0,0,1,0|2,0,0]=3 1331 B9R1.41 CC(=O)c1scnc1Br 1P01BYF4 [0,0,0,0,1,0|2,0,0]=3 1332 B9R1.41 CC(=O)c1scnc1C 1P00C8WG [0,0,0,0,1,0|1,0,0]=2 1333 B9R1.41 CC(=O)c1scnc1Cl 1P024HPG [0,0,0,0,1,0|2,0,0]=3 1334 B9R1.41 CC(=O)c1sncc1Br 1P01KWHE [0,0,0,0,1,0|3,0,0]=4 1335 B9R1.41 CC(=O)c1sncc1Cl 1P028F9B [0,0,0,0,1,0|3,0,0]=4 1336 B9R1.41 CC(=O)c1snnc1C 1P00BQB1 [0,0,0,0,1,0|2,0,0]=3 1337 B9R1.41 CC(c1c[nH]nc1C)C 1P024TZV [0,0,0,0,1,0|2,0,1]=4 1338 B9R1.41 CC(c1ccnn1C)C 1P01KW0U [0,0,0,0,1,0|2,0,1]=4 1339 B9R1.41 CC(c1ccnn1C)N 1P00JEND [0,0,0,0,1,0|2,0,1]=4 1340 B9R1.41 CC(c1ccnn1C)O 1P01AITA [0,0,0,0,1,0|1,0,2]=4 1341 B9R1.41 CC(c1conc1C)O 1P01C721 [0,0,0,0,1,0|1,0,2]=4 1342 B9R1.41 CC(c1nccn1C)C 1P006Y6L [0,0,0,0,1,0|2,0,1]=4 1343 B9R1.41 CC(c1nccn1C)N 1P01B7BL [0,0,0,0,1,0|2,0,1]=4 1344 B9R1.41 CC(c1nccn1C)O 1P00CAPY [0,0,0,0,1,0|1,0,2]=4 1345 B9R1.41 CC(c1ncnn1C)N 1P008VW7 [0,0,0,0,1,0|2,0,1]=4 1346 B9R1.41 CC(c1ncnn1C)N 1P01BD8V [0,0,0,0,1,0|2,0,1]=4 1347 B9R1.41 CC(c1ncnn1C)O 1P01APKB [0,0,0,0,1,0|1,0,2]=4 1348 B9R1.41 CC(c1sccc1C)O 1P01BDHR [0,0,0,0,1,0|1,0,2]=4 1349 B9R1.41 CC(c1scnc1C)N 1P028U0B [0,0,0,0,1,0|2,0,1]=4 1350 B9R1.41 CC(c1scnc1C)O 1P006ZA8 [0,0,0,0,1,0|1,0,2]=4 1351 B9R1.41 CC(n1ccnc1C)C 1P0036X4 [0,0,0,0,1,0|2,0,1]=4 1352 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,0,0,0,1,0|1,0,2]=4 1353 B9R1.41 C[C@@H](c1ccnn1C)N 1P023QWY [0,0,0,0,1,0|2,0,1]=4 1354 B9R1.41 C[C@@H](c1ccnn1C)O 1P01DZ9W [0,0,0,0,1,0|1,0,2]=4 1355 B9R1.41 C[C@@H](c1nccn1C)O 1P0288DY [0,0,0,0,1,0|1,0,2]=4 1356 B9R1.41 C[C@@H](c1ncnn1C)N 1P028CKN [0,0,0,0,1,0|2,0,1]=4 1357 B9R1.41 C[C@H](c1ccnn1C)N 1P023QWX [0,0,0,0,1,0|2,0,1]=4 1358 B9R1.41 C[C@H](c1ccnn1C)O 1P01DZ9X [0,0,0,0,1,0|1,0,2]=4 1359 B9R1.41 Cc1c(cc[nH]1)C(=O)O 1P00CJAR [0,0,0,0,1,0|1,0,1]=3 1360 B9R1.41 Cc1c(cn[nH]1)C(=O)O 1P008ZBW [0,0,0,0,1,0|2,0,1]=4 1361 B9R1.41 Cc1c(nc[nH]1)C(=O)O 1P00J3V3 [0,0,0,0,1,0|1,0,1]=3 1362 B9R1.41 Cc1c[nH]cc1C(=O)O 1P00EEYA [0,0,0,0,1,0|3,0,0]=4 1363 B9R1.41 Cc1c[nH]nc1C(=O)N 1P0283IM [0,0,0,0,1,0|2,0,0]=3 1364 B9R1.41 Cc1c[nH]nc1C(=O)O 1P003M98 [0,0,0,0,1,0|2,0,0]=3 1365 B9R1.41 Cc1c[nH]nc1C(=O)O 1P01C25O [0,0,0,0,1,0|2,0,0]=3 1366 B9R1.41 Cc1cnoc1C(=O)O 1P002S9L [0,0,0,0,1,0|3,0,0]=4 1367 B9R1.41 Cc1cnsc1C(=O)O 1P001QUX [0,0,0,0,1,0|3,0,0]=4 1368 B9R1.41 Cc1cocc1C(=O)O 1P00HA4A [0,0,0,0,1,0|3,0,0]=4 1369 B9R1.41 Cc1conc1C(=O)N 1P01S3X6 [0,0,0,0,1,0|2,0,0]=3 1370 B9R1.41 Cc1conc1C(=O)O 1P007QD3 [0,0,0,0,1,0|2,0,0]=3 1371 B9R1.41 Cc1cscc1C(=O)Cl 1P01AD6M [0,0,0,0,1,0|3,0,0]=4 1372 B9R1.41 Cc1cscc1C(=O)O 1P008O79 [0,0,0,0,1,0|3,0,0]=4 1373 B9R1.41 Cc1n[nH]cc1C(=O)O 1P0037YK [0,0,0,0,1,0|2,0,0]=3 1374 B9R1.41 Cc1n[nH]nc1C(=O)O 1P00G5KT [0,0,0,0,1,0|2,0,0]=3 1375 B9R1.41 Cc1nc[nH]c1C(=O)O 1P001DSJ [0,0,0,0,1,0|1,0,1]=3 1376 B9R1.41 Cc1ncoc1C(=O)Cl 1P00EBHW [0,0,0,0,1,0|2,0,0]=3 1377 B9R1.41 Cc1ncoc1C(=O)N 1P006WSN [0,0,0,0,1,0|2,0,0]=3 1378 B9R1.41 Cc1ncoc1C(=O)O 1P002QXR [0,0,0,0,1,0|2,0,0]=3 1379 B9R1.41 Cc1ncsc1C(=O)Cl 1P00DC0O [0,0,0,0,1,0|2,0,0]=3 1380 B9R1.41 Cc1ncsc1C(=O)O 1P002A6Z [0,0,0,0,1,0|2,0,0]=3 1381 B9R1.41 Cc1nocc1C(=O)N 1P01DVPN [0,0,0,0,1,0|2,0,0]=3 1382 B9R1.41 Cc1nocc1C(=O)O 1P003481 [0,0,0,0,1,0|2,0,0]=3 1383 B9R1.41 Cc1nonc1C(=O)Cl 1P007IYE [0,0,0,0,1,0|2,0,0]=3 1384 B9R1.41 Cc1nonc1C(=O)O 1P00EECD [0,0,0,0,1,0|2,0,0]=3 1385 B9R1.41 Cc1nscc1C(=O)O 1P001QW4 [0,0,0,0,1,0|2,0,0]=3 1386 B9R1.41 Cc1nsnc1C(=O)O 1P00J2TS [0,0,0,0,1,0|2,0,0]=3 1387 B9R1.41 Cc1occc1C(=N)N 1P00A7RN [0,0,0,0,1,0|3,0,0]=4 1388 B9R1.41 Cc1occc1C(=O)O 1P003I5Y [0,0,0,0,1,0|2,0,0]=3 1389 B9R1.41 Cc1ocnc1C(=O)O 1P003ND2 [0,0,0,0,1,0|2,0,0]=3 1390 B9R1.41 Cc1oncc1C(=O)Cl 1P00FDHY [0,0,0,0,1,0|3,0,0]=4 1391 B9R1.41 Cc1oncc1C(=O)N 1P01DEZ5 [0,0,0,0,1,0|3,0,0]=4 1392 B9R1.41 Cc1oncc1C(=O)O 1P003NCC [0,0,0,0,1,0|3,0,0]=4 1393 B9R1.41 Cc1sccc1C(=O)O 1P002FXW [0,0,0,0,1,0|2,0,0]=3 1394 B9R1.41 Cc1scnc1C(=O)O 1P007QWB [0,0,0,0,1,0|2,0,0]=3 1395 B9R1.41 Cc1sncc1C(=O)O 1P01DYW5 [0,0,0,0,1,0|3,0,0]=4 1396 B9R1.41 Cc1snnc1C(=O)O 1P00BJ36 [0,0,0,0,1,0|3,0,0]=4 1397 B9R1.41 ClC(=O)c1nccn1C 1P01EN3O [0,0,0,0,1,0|2,0,0]=3 1398 B9R1.41 ClC(=O)c1occc1C 1P007ONW [0,0,0,0,1,0|2,0,0]=3 1399 B9R1.41 ClC(=O)c1sccc1C 1P003K8S [0,0,0,0,1,0|2,0,0]=3 1400 B9R1.41 Cn1nccc1C(=N)N 1P028VLL [0,0,0,0,1,0|3,0,0]=4 1401 B9R1.41 Cn1nccc1C(=O)Cl 1P004VXZ [0,0,0,0,1,0|2,0,0]=3 1402 B9R1.41 Cn1nccc1C(=O)N 1P00JE4T [0,0,0,0,1,0|2,0,0]=3 1403 B9R1.41 Cn1nccc1C(=O)O 1P001SBJ [0,0,0,0,1,0|2,0,0]=3 1404 B9R1.41 Cn1nccc1C(=S)N 1P01B6QC [0,0,0,0,1,0|2,1,0]=4 1405 B9R1.41 Cn1nccc1S(=O)N 1P027TX9 [0,0,0,0,1,0|3,0,0]=4 1406 B9R1.41 Cn1ncnc1C(=O)O 1P00G60U [0,0,0,0,1,0|2,0,0]=3 1407 B9R1.41 Cn1ncnc1C(=S)N 1P028JWK [0,0,0,0,1,0|2,1,0]=4 1408 B9R1.41 FC1=C(NC=C1)C(=O)O 1P01FWZK [0,0,0,0,1,0|2,0,1]=4 1409 B9R1.41 NC(=N)c1nccn1C 1P00G63R [0,0,0,0,1,0|3,0,0]=4 1410 B9R1.41 NC(=N)c1occc1C 1P01ACR5 [0,0,0,0,1,0|3,0,0]=4 1411 B9R1.41 NC(=O)c1[nH]cnc1N 1P0034D4 [0,0,0,0,1,0|2,0,1]=4 1412 B9R1.41 NC(=O)c1[nH]cnc1N 1P0034NM [0,0,0,0,1,0|2,0,1]=4 1413 B9R1.41 NC(=O)c1c(O)nc[nH]1 1P00E9J7 [0,0,0,0,1,0|2,0,1]=4 1414 B9R1.41 NC(=O)c1c[nH]nc1N 1P002UGF [0,0,0,0,1,0|3,0,0]=4 1415 B9R1.41 NC(=O)c1c[nH]nc1N 1P003419 [0,0,0,0,1,0|3,0,0]=4 1416 B9R1.41 NC(=O)c1cccn1C 1P00EC56 [0,0,0,0,1,0|3,0,0]=4 1417 B9R1.41 NC(=O)c1ccsc1Br 1P002IS4 [0,0,0,0,1,0|3,0,0]=4 1418 B9R1.41 NC(=O)c1ccsc1N 1P001D9F [0,0,0,0,1,0|3,0,0]=4 1419 B9R1.41 NC(=O)c1n[nH]cc1Br 1P006HOX [0,0,0,0,1,0|3,0,0]=4 1420 B9R1.41 NC(=O)c1nc[nH]c1N 1P00EOBR [0,0,0,0,1,0|2,0,1]=4 1421 B9R1.41 NC(=O)c1nccn1C 1P002DC9 [0,0,0,0,1,0|2,0,0]=3 1422 B9R1.41 NC(=O)c1ncsc1Cl 1P01BCY1 [0,0,0,0,1,0|3,0,0]=4 1423 B9R1.41 NC(=O)c1ncsc1N 1P00DIFM [0,0,0,0,1,0|3,0,0]=4 1424 B9R1.41 NC(=O)c1nsnc1N 1P01AFNI [0,0,0,0,1,0|3,0,0]=4 1425 B9R1.41 NC(=O)c1nsnc1N 1P01BBVS [0,0,0,0,1,0|3,0,0]=4 1426 B9R1.41 NC(=O)c1occc1C 1P01A9MR [0,0,0,0,1,0|2,0,0]=3 1427 B9R1.41 NC(=O)c1sccc1C 1P003K8T [0,0,0,0,1,0|2,0,0]=3 1428 B9R1.41 NC(=O)c1sccc1N 1P001F3L [0,0,0,0,1,0|3,0,0]=4 1429 B9R1.41 NC(=O)c1snnc1C 1P0020Q8 [0,0,0,0,1,0|3,0,0]=4 1430 B9R1.41 NC(=S)c1nccn1C 1P00466V [0,0,0,0,1,0|2,1,0]=4 1431 B9R1.41 NC(=S)c1sccc1C 1P00A8YW [0,0,0,0,1,0|2,1,0]=4 1432 B9R1.41 Nc1c[nH]nc1C(=O)O 1P000BTK [0,0,0,0,1,0|3,0,0]=4 1433 B9R1.41 Nc1csnc1C(=O)O 1P005R0T [0,0,0,0,1,0|3,0,0]=4 1434 B9R1.41 Nc1n[nH]cc1C(=O)O 1P003425 [0,0,0,0,1,0|3,0,0]=4 1435 B9R1.41 Nc1nonc1C(=O)O 1P003L43 [0,0,0,0,1,0|3,0,0]=4 1436 B9R1.41 Nc1nsnc1C(=O)O 1P00BDZE [0,0,0,0,1,0|3,0,0]=4 1437 B9R1.41 Nc1sccc1C(=O)O 1P00EAZ3 [0,0,0,0,1,0|3,0,0]=4 1438 B9R1.41 OC(=O)c1[nH]ccc1Br 1P001DWJ [0,0,0,0,1,0|2,0,1]=4 1439 B9R1.41 OC(=O)c1[nH]ccc1C 1P006BCT [0,0,0,0,1,0|1,0,1]=3 1440 B9R1.41 OC(=O)c1c(Br)nc[nH]1 1P00JSC8 [0,0,0,0,1,0|2,0,1]=4 1441 B9R1.41 OC(=O)c1c(Cl)nc[nH]1 1P020MPN [0,0,0,0,1,0|2,0,1]=4 1442 B9R1.41 OC(=O)c1c[nH]nc1Cl 1P009I65 [0,0,0,0,1,0|3,0,0]=4 1443 B9R1.41 OC(=O)c1c[nH]nc1I 1P01KZM6 [0,0,0,0,1,0|3,0,0]=4 1444 B9R1.41 OC(=O)c1cccn1C 1P00ICFR [0,0,0,0,1,0|3,0,0]=4 1445 B9R1.41 OC(=O)c1ccoc1Br 1P002BKS [0,0,0,0,1,0|3,0,0]=4 1446 B9R1.41 OC(=O)c1ccoc1Cl 1P007JLL [0,0,0,0,1,0|3,0,0]=4 1447 B9R1.41 OC(=O)c1ccoc1I 1P00KE9C [0,0,0,0,1,0|3,0,0]=4 1448 B9R1.41 OC(=O)c1ccsc1Br 1P0033LT [0,0,0,0,1,0|3,0,0]=4 1449 B9R1.41 OC(=O)c1ccsc1Cl 1P00DE30 [0,0,0,0,1,0|3,0,0]=4 1450 B9R1.41 OC(=O)c1ccsc1F 1P006BTP [0,0,0,0,1,0|3,0,0]=4 1451 B9R1.41 OC(=O)c1ccsc1I 1P002I22 [0,0,0,0,1,0|3,0,0]=4 1452 B9R1.41 OC(=O)c1cnnn1C 1P005GPS [0,0,0,0,1,0|3,0,0]=4 1453 B9R1.41 OC(=O)c1csnc1Br 1P01BZ36 [0,0,0,0,1,0|3,0,0]=4 1454 B9R1.41 OC(=O)c1csnc1Cl 1P006GOM [0,0,0,0,1,0|3,0,0]=4 1455 B9R1.41 OC(=O)c1n[nH]cc1Br 1P0013R2 [0,0,0,0,1,0|3,0,0]=4 1456 B9R1.41 OC(=O)c1n[nH]cc1F 1P019U2K [0,0,0,0,1,0|3,0,0]=4 1457 B9R1.41 OC(=O)c1n[nH]cc1I 1P01K16F [0,0,0,0,1,0|3,0,0]=4 1458 B9R1.41 OC(=O)c1n[nH]nc1Cl 1P01EDSO [0,0,0,0,1,0|3,0,0]=4 1459 B9R1.41 OC(=O)c1nccn1C 1P002A6Y [0,0,0,0,1,0|2,0,0]=3 1460 B9R1.41 OC(=O)c1ncoc1Br 1P000LYR [0,0,0,0,1,0|3,0,0]=4 1461 B9R1.41 OC(=O)c1ncsc1Br 1P003N1R [0,0,0,0,1,0|3,0,0]=4 1462 B9R1.41 OC(=O)c1nocc1Br 1P028H8R [0,0,0,0,1,0|3,0,0]=4 1463 B9R1.41 OC(=O)c1nocc1Cl 1P01EL98 [0,0,0,0,1,0|3,0,0]=4 1464 B9R1.41 OC(=O)c1nscc1Br 1P00I8ZX [0,0,0,0,1,0|3,0,0]=4 1465 B9R1.41 OC(=O)c1nscc1N 1P01A093 [0,0,0,0,1,0|3,0,0]=4 1466 B9R1.41 OC(=O)c1nscc1O 1P0026ER [0,0,0,0,1,0|3,0,0]=4 1467 B9R1.41 OC(=O)c1nsnc1Cl 1P00E0ZH [0,0,0,0,1,0|3,0,0]=4 1468 B9R1.41 OC(=O)c1occc1Br 1P001LTO [0,0,0,0,1,0|3,0,0]=4 1469 B9R1.41 OC(=O)c1occc1C 1P003K7Z [0,0,0,0,1,0|2,0,0]=3 1470 B9R1.41 OC(=O)c1occc1Cl 1P01BB0X [0,0,0,0,1,0|3,0,0]=4 1471 B9R1.41 OC(=O)c1occc1F 1P027RMC [0,0,0,0,1,0|3,0,0]=4 1472 B9R1.41 OC(=O)c1ocnc1Br 1P021TPK [0,0,0,0,1,0|3,0,0]=4 1473 B9R1.41 OC(=O)c1sccc1Br 1P0036HF [0,0,0,0,1,0|3,0,0]=4 1474 B9R1.41 OC(=O)c1sccc1C 1P00347S [0,0,0,0,1,0|2,0,0]=3 1475 B9R1.41 OC(=O)c1sccc1Cl 1P00392Q [0,0,0,0,1,0|3,0,0]=4 1476 B9R1.41 OC(=O)c1sccc1F 1P00BYYA [0,0,0,0,1,0|3,0,0]=4 1477 B9R1.41 OC(=O)c1sccc1I 1P0037XF [0,0,0,0,1,0|3,0,0]=4 1478 B9R1.41 OC(=O)c1sccc1N 1P003JBB [0,0,0,0,1,0|3,0,0]=4 1479 B9R1.41 OC(=O)c1sccc1O 1P00D9E3 [0,0,0,0,1,0|3,0,0]=4 1480 B9R1.41 OC(=O)c1scnc1Br 1P000MK2 [0,0,0,0,1,0|3,0,0]=4 1481 B9R1.41 OC(=O)c1scnc1Cl 1P00DL89 [0,0,0,0,1,0|3,0,0]=4 1482 B9R1.41 OC(=O)c1scnc1I 1P027VG4 [0,0,0,0,1,0|3,0,0]=4 1483 B9R1.41 OC(=O)c1snnc1C 1P0023UB [0,0,0,0,1,0|3,0,0]=4 1484 B9R1.41 [O-]C(=O)c1nccn1C 1P01DX22 [0,0,0,0,1,0|2,0,0]=3 1485 B9R1.41 [O-]C(=O)c1ncnn1C 1P01BVRA [0,0,0,0,1,0|2,0,0]=3 1486 B9R1.41 [O-]C(=O)c1nncn1C 1P01FKPJ [0,0,0,0,1,0|3,0,0]=4 1487 B9R1.41 [O-]C(=O)c1sccc1N 1P01T6ZE [0,0,0,0,1,0|3,0,0]=4 1488 B9R1.41 [O-][N+](=O)c1c(C)nc[nH]1 1P001CFC [0,0,0,0,1,0|2,0,1]=4 1489 B9R1.41 [O-][N+](=O)c1c[nH]nc1C 1P003K6N [0,0,0,0,1,0|3,0,0]=4 1490 B9R1.41 [O-][N+](=O)c1n[nH]cc1C 1P0037RG [0,0,0,0,1,0|3,0,0]=4 1491 B9R1.41 [O-][N+](=O)c1nccn1C 1P001XLB [0,0,0,0,1,0|3,0,0]=4 1492 B9R1.41 [O-][N+](=O)c1ncnn1C 1P01XD43 [0,0,0,0,1,0|3,0,0]=4 1493 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [0,0,0,0,0,1|3,0,0]=4 1494 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [0,0,0,0,0,1|2,0,0]=3 1495 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [0,0,0,0,0,1|3,0,0]=4 1496 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [0,0,0,0,0,1|3,0,0]=4 1497 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [0,0,0,0,0,1|3,0,0]=4 1498 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [0,0,0,0,0,1|3,0,0]=4 1499 B11R1.86 CC(=O)Cc1ccncc1C 1P028QLT [0,0,0,0,0,1|3,0,0]=4 1500 B11R1.86 CC(=O)Cc1ncccc1Br 1P01A0L8 [0,0,0,0,0,1|2,0,0]=3 1501 B11R1.86 CC(=O)Cc1ncccc1C 1P00C8O3 [0,0,0,0,0,1|1,0,0]=2 1502 B11R1.86 CC(=O)Cc1ncccc1Cl 1P01ALQN [0,0,0,0,0,1|2,0,0]=3 1503 B11R1.86 CC(=O)Nc1ccccc1Br 1P003BNA [0,0,0,0,0,1|3,0,0]=4 1504 B11R1.86 CC(=O)Nc1ccccc1C 1P000QH9 [0,0,0,0,0,1|2,0,0]=3 1505 B11R1.86 CC(=O)Nc1ccccc1Cl 1P003BO5 [0,0,0,0,0,1|3,0,0]=4 1506 B11R1.86 CC(=O)Nc1ccccc1F 1P003BOW [0,0,0,0,0,1|3,0,0]=4 1507 B11R1.86 CC(=O)Nc1ccccc1I 1P007RN6 [0,0,0,0,0,1|3,0,0]=4 1508 B11R1.86 CC(=O)Nc1ccccc1N 1P003BMT [0,0,0,0,0,1|3,0,0]=4 1509 B11R1.86 CC(=O)Nc1ccccc1O 1P003GR9 [0,0,0,0,0,1|3,0,0]=4 1510 B11R1.86 CC(=O)Nc1cccnc1N 1P01A75N [0,0,0,0,0,1|2,0,0]=3 1511 B11R1.86 CC(=O)Nc1cccnc1O 1P00G9SH [0,0,0,0,0,1|2,0,0]=3 1512 B11R1.86 CC(=O)Nc1ccncc1C 1P008Z6R [0,0,0,0,0,1|3,0,0]=4 1513 B11R1.86 CC(=O)Nc1ncccc1C 1P005WE9 [0,0,0,0,0,1|1,0,0]=2 1514 B11R1.86 CC(=O)Nc1ncccc1O 1P00CKHR [0,0,0,0,0,1|2,0,0]=3 1515 B11R1.86 CC(=O)Oc1ccccc1Br 1P0024OT [0,0,0,0,0,1|3,0,0]=4 1516 B11R1.86 CC(=O)Oc1ccccc1Cl 1P003HJS [0,0,0,0,0,1|3,0,0]=4 1517 B11R1.86 CC(=O)Oc1ccccc1I 1P00C7MR [0,0,0,0,0,1|3,0,0]=4 1518 B11R1.86 CC(=O)Oc1ccccc1O 1P01BUNR [0,0,0,0,0,1|3,0,0]=4 1519 B11R1.86 CC(Cc1nccnc1C)C 1P003BP7 [0,0,0,0,0,1|1,0,1]=3 1520 B11R1.86 CC(Nc1cccnc1C)C 1P01AWUY [0,0,0,0,0,1|2,0,1]=4 1521 B11R1.86 CC(Oc1nccnc1C)C 1P003HY1 [0,0,0,0,0,1|1,0,1]=3 1522 B11R1.86 CC(Oc1nccnc1Cl)C 1P01A5IN [0,0,0,0,0,1|2,0,1]=4 1523 B11R1.86 CC(Oc1nccnc1N)C 1P028L54 [0,0,0,0,0,1|2,0,1]=4 1524 B11R1.86 Cc1ccncc1NC(=O)C 1P00DMO8 [0,0,0,0,0,1|3,0,0]=4 1525 B11R1.86 Cc1ncccc1CC(=O)O 1P01BAVJ [0,0,0,0,0,1|2,0,0]=3 1526 B11R1.86 ClC(=O)Oc1ccccc1C 1P007RD1 [0,0,0,0,0,1|3,0,0]=4 1527 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [0,0,0,0,0,1|3,0,0]=4 1528 B11R1.86 NC(=O)Nc1ccccc1C 1P003TZ2 [0,0,0,0,0,1|3,0,0]=4 1529 B11R1.86 Nc1ncccc1CC(=O)O 1P000686 [0,0,0,0,0,1|3,0,0]=4 1530 B11R1.86 Nc1ncccc1CC(=O)O 1P01BE2W [0,0,0,0,0,1|3,0,0]=4 1531 B11R1.86 OC(=O)Cc1ccccc1C 1P003I6V [0,0,0,0,0,1|3,0,0]=4 1532 B11R1.86 OC(=O)Cc1cccnc1Br 1P000JSL [0,0,0,0,0,1|3,0,0]=4 1533 B11R1.86 OC(=O)Cc1cccnc1Cl 1P00392A [0,0,0,0,0,1|3,0,0]=4 1534 B11R1.86 OC(=O)Cc1cccnc1F 1P00015G [0,0,0,0,0,1|3,0,0]=4 1535 B11R1.86 OC(=O)Cc1ncccc1Br 1P00668C [0,0,0,0,0,1|3,0,0]=4 1536 B11R1.86 OC(=O)Cc1ncccc1C 1P00J3E2 [0,0,0,0,0,1|2,0,0]=3 1537 B11R1.86 OC(=O)Cc1ncccc1Cl 1P003JSB [0,0,0,0,0,1|3,0,0]=4 1538 B11R1.86 OC(=O)Cc1ncccc1F 1P00015F [0,0,0,0,0,1|3,0,0]=4 1539 B11R1.86 OC(=O)Cc1ncccc1F 1P01BGTL [0,0,0,0,0,1|3,0,0]=4 1540 B11R1.86 OC(=O)Cc1nccnc1Cl 1P00A11T [0,0,0,0,0,1|2,0,0]=3 1541 B11R1.86 OC(=O)Cc1nccnc1Cl 1P00I1YQ [0,0,0,0,0,1|2,0,0]=3 1542 B11R1.86 [O-]C(=O)Cc1ncccc1Cl 1P001V8Q [0,0,0,0,0,1|3,0,0]=4 1543 B8R0.18 ON=C(C(=O)C)C(=O)C 1P00C2EE [1,0,1,0,0,0|2,0,0]=4 1544 B8R1.2 BrCc1cnccn1 1P001ID7 [2,0,0,0,0,0|1,0,1]=4 1545 B8R1.2 C#Cc1cnccn1 1P00ADUU [2,0,0,0,0,0|0,0,2]=4 1546 B8R1.2 C=Cc1cccnc1 1P003491 [2,0,0,0,0,0|1,0,1]=4 1547 B8R1.2 C=Cc1cnccn1 1P003IFF [2,0,0,0,0,0|0,0,1]=3 1548 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,1]=4 1549 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,1]=4 1550 B8R1.2 CCc1cnccn1 1P003HNC [2,0,0,0,0,0|0,0,1]=3 1551 B8R1.2 CNc1ccccn1 1P003TP7 [2,0,0,0,0,0|2,0,0]=4 1552 B8R1.2 CNc1cccnc1 1P00289C [2,0,0,0,0,0|2,0,0]=4 1553 B8R1.2 CNc1cnccn1 1P00CL7Z [2,0,0,0,0,0|1,0,0]=3 1554 B8R1.2 COc1ccccn1 1P001TWH [2,0,0,0,0,0|2,0,0]=4 1555 B8R1.2 COc1cccnc1 1P00347L [2,0,0,0,0,0|2,0,0]=4 1556 B8R1.2 COc1cnccn1 1P003I17 [2,0,0,0,0,0|1,0,0]=3 1557 B8R1.2 CSc1ccccn1 1P00AP6U [2,0,0,0,0,0|2,0,0]=4 1558 B8R1.2 CSc1cccnc1 1P002H17 [2,0,0,0,0,0|2,0,0]=4 1559 B8R1.2 CSc1cnccn1 1P003BJ9 [2,0,0,0,0,0|1,0,0]=3 1560 B8R1.2 CSc1nccnn1 1P002WQZ [2,0,0,0,0,0|2,0,0]=4 1561 B8R1.2 ClCc1cnccn1 1P002KZH [2,0,0,0,0,0|1,0,1]=4 1562 B8R1.2 NCc1cnccn1 1P002CZT [2,0,0,0,0,0|1,0,1]=4 1563 B8R1.2 NCc1cnccn1 1P00397Q [2,0,0,0,0,0|1,0,1]=4 1564 B8R1.2 NCc1nccnc1 1P00HE98 [2,0,0,0,0,0|1,0,1]=4 1565 B8R1.2 O=Cc1ccccn1 1P0033WE [2,0,0,0,0,0|1,0,0]=3 1566 B8R1.2 O=Cc1cccnc1 1P00348S [2,0,0,0,0,0|1,0,0]=3 1567 B8R1.2 O=Cc1cccnn1 1P00EGBR [2,0,0,0,0,0|2,0,0]=4 1568 B8R1.2 O=Cc1ccncn1 1P00360K [2,0,0,0,0,0|2,0,0]=4 1569 B8R1.2 O=Cc1ccnnc1 1P0037UD [2,0,0,0,0,0|2,0,0]=4 1570 B8R1.2 O=Cc1cnccn1 1P003937 [2,0,0,0,0,0|0,0,0]=2 1571 B8R1.2 O=Cc1cncnc1 1P00034V [2,0,0,0,0,0|2,0,0]=4 1572 B8R1.2 O=Cc1ncccn1 1P003A3I [2,0,0,0,0,0|2,0,0]=4 1573 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [2,0,0,0,0,0|2,0,0]=4 1574 B8R1.2 OCc1cnccn1 1P0033WD [2,0,0,0,0,0|0,0,2]=4 1575 B8R1.2 c1nccnc1C#N 1P002BZY [2,0,0,0,0,0|1,0,1]=4 1576 B8R1.5 Brc1cccnc1C 1P00342P [2,0,0,0,0,0|2,0,0]=4 1577 B8R1.5 Brc1nccnc1Br 1P006D3R [2,0,0,0,0,0|2,0,0]=4 1578 B8R1.5 CC1=NCCN=C1C 1P001RXR [2,0,0,0,0,0|0,0,2]=4 1579 B8R1.5 Cc1cccnc1Br 1P003H3T [2,0,0,0,0,0|2,0,0]=4 1580 B8R1.5 Cc1cccnc1Cl 1P003HCR [2,0,0,0,0,0|2,0,0]=4 1581 B8R1.5 Cc1cccnc1F 1P002OMV [2,0,0,0,0,0|2,0,0]=4 1582 B8R1.5 Cc1cccnc1I 1P006ZIM [2,0,0,0,0,0|2,0,0]=4 1583 B8R1.5 Cc1cccnc1N 1P003GUI [2,0,0,0,0,0|2,0,0]=4 1584 B8R1.5 Cc1cccnc1O 1P006L3K [2,0,0,0,0,0|1,0,1]=4 1585 B8R1.5 Cc1ncccc1C 1P003G1A [2,0,0,0,0,0|1,0,0]=3 1586 B8R1.5 Cc1nccnc1Br 1P003H3S [2,0,0,0,0,0|1,0,0]=3 1587 B8R1.5 Cc1nccnc1C 1P003G19 [2,0,0,0,0,0|0,0,0]=2 1588 B8R1.5 Cc1nccnc1Cl 1P0033O7 [2,0,0,0,0,0|1,0,0]=3 1589 B8R1.5 Cc1nccnc1F 1P028HOG [2,0,0,0,0,0|1,0,0]=3 1590 B8R1.5 Cc1nccnc1I 1P00EGD2 [2,0,0,0,0,0|1,0,0]=3 1591 B8R1.5 Cc1nccnc1N 1P002BXP [2,0,0,0,0,0|1,0,0]=3 1592 B8R1.5 Cc1nccnc1N 1P01FJXT [2,0,0,0,0,0|1,0,0]=3 1593 B8R1.5 Cc1nnccc1C 1P01AMA9 [2,0,0,0,0,0|2,0,0]=4 1594 B8R1.5 Cc1nncnc1O 1P00HZ45 [2,0,0,0,0,0|1,0,1]=4 1595 B8R1.5 Clc1cccnc1C 1P008RBW [2,0,0,0,0,0|2,0,0]=4 1596 B8R1.5 Clc1nccnc1Br 1P0093ET [2,0,0,0,0,0|2,0,0]=4 1597 B8R1.5 Clc1nccnc1Cl 1P003FYH [2,0,0,0,0,0|2,0,0]=4 1598 B8R1.5 Clc1nccnc1I 1P003BCW [2,0,0,0,0,0|2,0,0]=4 1599 B8R1.5 Fc1cccnc1C 1P001R2T [2,0,0,0,0,0|2,0,0]=4 1600 B8R1.5 Fc1nccnc1Br 1P002IV2 [2,0,0,0,0,0|2,0,0]=4 1601 B8R1.5 Fc1nccnc1Cl 1P0285JV [2,0,0,0,0,0|2,0,0]=4 1602 B8R1.5 Fc1nccnc1F 1P00I9WA [2,0,0,0,0,0|2,0,0]=4 1603 B8R1.5 Fc1nccnc1I 1P00CG68 [2,0,0,0,0,0|2,0,0]=4 1604 B8R1.5 Ic1cccnc1C 1P001NKR [2,0,0,0,0,0|2,0,0]=4 1605 B8R1.5 Ic1nccnc1I 1P01K2EU [2,0,0,0,0,0|2,0,0]=4 1606 B8R1.5 Nc1cccnc1C 1P00341I [2,0,0,0,0,0|2,0,0]=4 1607 B8R1.5 Nc1nccnc1Br 1P007P84 [2,0,0,0,0,0|2,0,0]=4 1608 B8R1.5 Nc1nccnc1Cl 1P003GU4 [2,0,0,0,0,0|2,0,0]=4 1609 B8R1.5 Nc1nccnc1F 1P019DIR [2,0,0,0,0,0|2,0,0]=4 1610 B8R1.5 Nc1nccnc1I 1P007G5N [2,0,0,0,0,0|2,0,0]=4 1611 B8R1.5 Nc1nccnc1N 1P000WG1 [2,0,0,0,0,0|2,0,0]=4 1612 B8R1.5 O=c1[nH]cccc1C 1P0001Z2 [2,0,0,0,0,0|1,0,1]=4 1613 B8R1.5 O=c1[nH]ccnc1C 1P002BXQ [2,0,0,0,0,0|0,0,1]=3 1614 B8R1.5 O=c1[nH]ccnc1C 1P01BCE2 [2,0,0,0,0,0|0,0,1]=3 1615 B8R1.5 O=c1[nH]ccnc1Cl 1P0096JP [2,0,0,0,0,0|1,0,1]=4 1616 B8R1.5 O=c1[nH]ccnc1N 1P003JEO [2,0,0,0,0,0|1,0,1]=4 1617 B8R1.5 Oc1cccnc1C 1P00346K [2,0,0,0,0,0|1,0,1]=4 1618 B8R1.5 Oc1nccnc1Br 1P009KC7 [2,0,0,0,0,0|1,0,1]=4 1619 B8R1.5 Oc1nccnc1I 1P028MFM [2,0,0,0,0,0|1,0,1]=4 1620 B8R1.5 Oc1nccnc1O 1P01EC4P [2,0,0,0,0,0|1,0,1]=4 1621 B8R1.5 S=c1[nH]ccnc1C 1P01GFHU [2,0,0,0,0,0|0,1,1]=4 1622 B10R1.13 Brc1ccc(cn1)C(=C)C 1P01CAUD [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.13 Brc1ccc(cn1)C(=O)C 1P001AJL [1,1,0,0,0,0|1,0,0]=3 1624 B10R1.13 Brc1ccc(cn1)C(=O)N 1P0089SG [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.13 Brc1ccc(cn1)C(=O)O 1P003NLL [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.13 Brc1ccc(nc1)C(=O)C 1P0033JA [1,1,0,0,0,0|1,0,0]=3 1627 B10R1.13 Brc1ccc(nc1)C(=O)C 1P01BH9H [1,1,0,0,0,0|1,0,0]=3 1628 B10R1.13 Brc1ccc(nc1)C(=O)Cl 1P0013CR [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.13 Brc1ccc(nc1)C(=O)N 1P00GTTW [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.13 Brc1ccc(nc1)C(=O)O 1P0031O7 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.13 CC(=O)c1c[nH]c(=O)cn1 1P000HQ8 [1,1,0,0,0,0|0,0,1]=3 1632 B10R1.13 CC(=O)c1ccc(cc1)Br 1P0034EQ [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.13 CC(=O)c1ccc(cc1)Cl 1P0034GF [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.13 CC(=O)c1ccc(cc1)F 1P0034HV [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.13 CC(=O)c1ccc(cc1)I 1P00150G [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7C [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.13 CC(=O)c1ccc(cc1)N 1P003L7D [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.13 CC(=O)c1ccc(cc1)O 1P0034IP [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.13 CC(=O)c1ccc(cc1)S 1P00CAPQ [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.13 CC(=O)c1ccc(nn1)Cl 1P0039CR [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.13 CC(=O)c1ccc(nn1)O 1P01DU6D [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.13 CC(=O)c1cnc(cn1)Cl 1P001S9V [1,1,0,0,0,0|0,0,0]=2 1643 B10R1.13 CC(=O)c1cnc(nc1)Cl 1P008UTP [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.13 CC(=O)c1cnc(nc1)N 1P000MJ6 [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.13 CC(=O)c1ncc(cn1)Br 1P0032ZI [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.13 CC(=O)c1ncc(cn1)Cl 1P01DZIC [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.13 CC(=O)c1ncc(cn1)F 1P003DI8 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.13 CC(=O)c1ncc(cn1)O 1P028VOX [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.13 CC(c1cnc(cn1)Cl)N 1P01BDD6 [1,1,0,0,0,0|1,0,1]=4 1650 B10R1.13 CC(c1cnc(cn1)Cl)N 1P0287OD [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.13 CC(c1ncc(nc1)N)C 1P01T3PU [1,1,0,0,0,0|1,0,1]=4 1652 B10R1.13 CN(c1ncc(nc1)Br)C 1P0071YY [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.13 CN(c1ncc(nc1)Cl)C 1P00A0LB [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.13 Cc1ccc(cc1)C(=O)C 1P0034KH [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.13 Cc1ccc(cn1)C(=O)C 1P007AKR [1,1,0,0,0,0|1,0,0]=3 1656 B10R1.13 Cc1ccc(cn1)C(=O)N 1P005KIX [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.13 Cc1ccc(cn1)C(=O)O 1P007HIP [1,1,0,0,0,0|2,0,0]=4 1658 B10R1.13 Cc1ccc(nc1)C(=O)C 1P003GRQ [1,1,0,0,0,0|1,0,0]=3 1659 B10R1.13 Cc1ccc(nc1)C(=O)C 1P00J2IE [1,1,0,0,0,0|1,0,0]=3 1660 B10R1.13 Cc1ccc(nc1)C(=O)N 1P00C4PA [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0025QJ [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.13 Cc1ccc(nc1)C(=O)O 1P0038BJ [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.13 Cc1ccc(nn1)C(=O)C 1P00IH7X [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.13 Cc1cnc(cn1)C(=O)C 1P0038N6 [1,1,0,0,0,0|0,0,0]=2 1665 B10R1.13 Cc1cnc(cn1)C(=O)N 1P00DCKF [1,1,0,0,0,0|1,0,0]=3 1666 B10R1.13 Cc1cnc(cn1)C(=O)O 1P00IAB5 [1,1,0,0,0,0|1,0,0]=3 1667 B10R1.13 Cc1cnc(cn1)C(Br)C 1P01ALR9 [1,1,0,0,0,0|1,0,1]=4 1668 B10R1.13 Cc1cnc(cn1)C(C)C 1P007LEJ [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.13 Cc1cnc(cn1)C(N)C 1P027TQR [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.13 Cc1cnc(nc1)C(=O)C 1P009B33 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.13 Cc1ncc(cn1)C(=O)C 1P0017TZ [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.13 Clc1ccc(cn1)C(=C)C 1P00FCW7 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.13 Clc1ccc(cn1)C(=O)C 1P0033OV [1,1,0,0,0,0|1,0,0]=3 1674 B10R1.13 Clc1ccc(cn1)C(=O)Cl 1P00IAWT [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.13 Clc1ccc(cn1)C(=O)N 1P003NNG [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.13 Clc1ccc(cn1)C(=O)O 1P003NNH [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.13 Clc1ccc(cn1)S(=O)C 1P0288RX [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.13 Clc1ccc(nc1)C(=O)C 1P006R8V [1,1,0,0,0,0|1,0,0]=3 1679 B10R1.13 Clc1ccc(nc1)C(=O)Cl 1P000Y7Z [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.13 Clc1ccc(nc1)C(=O)N 1P00CB78 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.13 Clc1ccc(nc1)C(=O)O 1P003N5J [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.13 Clc1cnc(cn1)C(=O)Cl 1P004C95 [1,1,0,0,0,0|1,0,0]=3 1683 B10R1.13 Fc1ccc(cn1)C(=O)C 1P004Y7M [1,1,0,0,0,0|1,0,0]=3 1684 B10R1.13 Fc1ccc(cn1)C(=O)Cl 1P00EAWJ [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.13 Fc1ccc(cn1)C(=O)F 1P01OHCH [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.13 Fc1ccc(cn1)C(=O)N 1P00CZQN [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.13 Fc1ccc(cn1)C(=O)O 1P003NOK [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.13 Fc1ccc(nc1)C(=O)C 1P00GSNJ [1,1,0,0,0,0|1,0,0]=3 1689 B10R1.13 Fc1ccc(nc1)C(=O)C 1P028O6Q [1,1,0,0,0,0|1,0,0]=3 1690 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P00FI5J [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.13 Fc1ccc(nc1)C(=O)Cl 1P01C0I6 [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.13 Fc1ccc(nc1)C(=O)N 1P00DIFZ [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.13 Fc1ccc(nc1)C(=O)O 1P0034QI [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.13 Fc1ccc(nc1)C(=O)O 1P01A6GL [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.13 Ic1ccc(cn1)C(=O)O 1P000V2T [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.13 Ic1ccc(nc1)C(=O)O 1P00C9PY [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.13 NC(=O)c1c[nH]c(=O)cn1 1P00AK1F [1,1,0,0,0,0|1,0,1]=4 1698 B10R1.13 NC(=O)c1cnc(cn1)Br 1P00CL5K [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.13 NC(=O)c1cnc(cn1)Cl 1P007RCN [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.13 Nc1ccc(cn1)C(=O)C 1P002BVW [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.13 Nc1ccc(cn1)C(=O)N 1P003NJJ [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.13 Nc1ccc(cn1)C(=O)O 1P003NJP [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.13 Nc1ccc(cn1)S(=O)C 1P01ANSF [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.13 Nc1ccc(nc1)C(=O)C 1P00DIDZ [1,1,0,0,0,0|1,0,0]=3 1705 B10R1.13 Nc1ccc(nc1)C(=O)N 1P001L6V [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.13 Nc1ccc(nc1)C(=O)O 1P0034NI [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.13 Nc1ccc(nc1)C(=O)O 1P005NVH [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.13 Nc1cnc(cn1)C(=O)N 1P0040AP [1,1,0,0,0,0|1,0,0]=3 1709 B10R1.13 Nc1cnc(cn1)C(=O)O 1P003MV9 [1,1,0,0,0,0|1,0,0]=3 1710 B10R1.13 Nc1cnc(cn1)C(=S)N 1P028I49 [1,1,0,0,0,0|1,1,0]=4 1711 B10R1.13 Nc1ncc(nn1)C(=O)O 1P01ELUV [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.13 OC(=O)c1c[nH]c(=O)cn1 1P005PT2 [1,1,0,0,0,0|1,0,1]=4 1713 B10R1.13 OC(=O)c1cnc(cn1)Br 1P004M79 [1,1,0,0,0,0|1,0,0]=3 1714 B10R1.13 OC(=O)c1cnc(cn1)Cl 1P003N5F [1,1,0,0,0,0|1,0,0]=3 1715 B10R1.13 OC(=O)c1cnc(cn1)S 1P028V4X [1,1,0,0,0,0|1,0,0]=3 1716 B10R1.13 Oc1ccc(cn1)C(=O)C 1P008ZI1 [1,1,0,0,0,0|1,0,0]=3 1717 B10R1.13 Oc1ccc(cn1)C(=O)N 1P00C74F [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.13 Oc1ccc(nc1)C(=O)C 1P00FGUG [1,1,0,0,0,0|1,0,0]=3 1719 B10R1.13 Oc1ccc(nc1)C(=O)N 1P003WOP [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.13 Oc1ccc(nc1)C(=O)O 1P000PO9 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.13 Oc1ccc(nc1)C(=O)O 1P001N9V [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.13 Oc1ccc(nc1)C(=O)O 1P01DLAX [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.13 Oc1cnc(cn1)C(=O)O 1P00BZZO [1,1,0,0,0,0|1,0,0]=3 1724 B10R1.13 Sc1ccc(cn1)C(=O)O 1P003NPT [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.13 Sc1ccc(nc1)C(=O)O 1P028GIB [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.13 [O-][N+](=O)c1cnc(cn1)Br 1P000E7J [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.13 [O-][N+](=O)c1cnc(cn1)Cl 1P008CVZ [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.15 BrCC(=O)c1ccccn1 1P0021LH [1,1,0,0,0,0|1,0,0]=3 1730 B10R1.15 BrCC(=O)c1cccnc1 1P0025H6 [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.15 BrCC(=O)c1cccnc1 1P00EJUC [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.15 BrCC(=O)c1ccncn1 1P00G8NI [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.15 BrCC(=O)c1cnccn1 1P000T5W [1,1,0,0,0,0|0,0,0]=2 1734 B10R1.15 BrCC(=O)c1cnccn1 1P001152 [1,1,0,0,0,0|0,0,0]=2 1735 B10R1.15 BrCC(=O)c1ncccn1 1P001RDD [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.15 CC(=NN)c1cnccn1 1P019TJ6 [1,1,0,0,0,0|1,0,0]=3 1737 B10R1.15 CC(=NO)c1cnccn1 1P023TQ9 [1,1,0,0,0,0|0,0,1]=3 1738 B10R1.15 CC(c1cnccn1)C#N 1P01BWBB [1,1,0,0,0,0|1,0,1]=4 1739 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [1,1,0,0,0,0|1,0,1]=4 1740 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [1,1,0,0,0,0|0,0,2]=4 1741 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.15 CCC(=O)c1ccnnc1 1P02219B [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.15 CCC(=O)c1cnccn1 1P00DLK1 [1,1,0,0,0,0|0,0,0]=2 1746 B10R1.15 CCC(=O)c1cncnc1 1P01DX6H [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.15 CCC(=O)c1ncccn1 1P00E4VN [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.15 CN=C(c1cccnc1)N 1P01B70I [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.15 CNC(=N)c1ccccn1 1P028I43 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.15 CNC(=N)c1cccnc1 1P01B6ZK [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.15 CNC(=O)c1ccccn1 1P00EFMA [1,1,0,0,0,0|1,0,0]=3 1753 B10R1.15 CNC(=O)c1cccnc1 1P000AQ4 [1,1,0,0,0,0|1,0,0]=3 1754 B10R1.15 CNC(=O)c1ncccn1 1P028FT7 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.15 COC(=O)c1ccccn1 1P002P5B [1,1,0,0,0,0|1,0,0]=3 1757 B10R1.15 COC(=O)c1cccnc1 1P003SI1 [1,1,0,0,0,0|1,0,0]=3 1758 B10R1.15 COC(=O)c1cccnn1 1P00C82F [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.15 COC(=O)c1ccncn1 1P002OTR [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.15 COC(=O)c1ccnnc1 1P003SJ5 [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.15 COC(=O)c1cnccn1 1P003SJ3 [1,1,0,0,0,0|0,0,0]=2 1762 B10R1.15 COC(=O)c1cnccn1 1P0287C0 [1,1,0,0,0,0|0,0,0]=2 1763 B10R1.15 COC(=O)c1cncnc1 1P0036JN [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.15 COC(=O)c1ncccn1 1P003IDX [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.15 ClCC(=O)c1ccccn1 1P00DTRX [1,1,0,0,0,0|1,0,0]=3 1766 B10R1.15 ClCC(=O)c1cccnc1 1P00E9NE [1,1,0,0,0,0|1,0,0]=3 1767 B10R1.15 ClCC(=O)c1cncnc1 1P01FIOC [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.15 FCC(=O)c1ccccn1 1P00GPM5 [1,1,0,0,0,0|1,0,0]=3 1770 B10R1.15 NC(=NO)c1cnccn1 1P019ZC4 [1,1,0,0,0,0|1,0,1]=4 1771 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [1,1,0,0,0,0|1,0,0]=3 1775 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [1,1,0,0,0,0|0,0,0]=2 1776 B10R1.15 NNC(=O)c1ccccn1 1P003BQA [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.15 NNC(=O)c1cccnc1 1P003TKF [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.15 NNC(=O)c1cnccn1 1P00360C [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.15 N\C(=N/O)\c1cnccn1 1P00DEYE [1,1,0,0,0,0|1,0,1]=4 1780 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.15 O=NN(c1ccccn1)C 1P01RQSN [1,1,0,0,0,0|2,0,0]=4 1782 B10R1.15 OCC(=C)c1cccnc1 1P024ZQ7 [1,1,0,0,0,0|2,0,0]=4 1783 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [1,1,0,0,0,0|2,0,0]=4 1784 B10R1.15 OCC(=O)c1ccccn1 1P01DFA8 [1,1,0,0,0,0|1,0,0]=3 1785 B10R1.15 OCC(=O)c1cccnc1 1P008Z6T [1,1,0,0,0,0|1,0,0]=3 1786 B10R1.15 O\N=C(/c1cccnc1)\C 1P00EA84 [1,1,0,0,0,0|1,0,1]=4 1787 B10R1.15 O\N=C(\c1ccccn1)/C 1P00GPLO [1,1,0,0,0,0|1,0,1]=4 1788 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.28 CC(c1nccnc1)(C)C 1P003IEI [1,1,0,0,0,0|1,0,1]=4 1790 B10R1.28 CC(c1nccnc1)(F)F 1P00916E [1,1,0,0,0,0|1,0,1]=4 1791 B10R1.28 CP(=O)(c1ccccn1)C 1P028NP1 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.28 CP(=O)(c1cccnc1)C 1P028MT4 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.28 CS(=O)(=N)c1ccccn1 1P00G5JK [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.28 CS(=O)(=N)c1cccnc1 1P027RKY [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.28 CS(=O)(=O)c1ccccn1 1P00APLA [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.28 CS(=O)(=O)c1cccnc1 1P00DF3B [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.28 CS(=O)(=O)c1nccnn1 1P01G113 [1,1,0,0,0,0|2,0,0]=4 1798 B10R1.28 FS(=O)(=O)c1nccnc1 1P01C9P4 [1,1,0,0,0,0|2,0,0]=4 1799 B10R1.28 NS(=O)(=O)c1nccnc1 1P01A04C [1,1,0,0,0,0|2,0,0]=4 1800 B10R1.113 Brc1cccc(c1)C(=O)C 1P00343B [1,1,0,0,0,0|2,0,0]=4 1801 B10R1.113 Brc1cccc(n1)C(=O)C 1P003GRS [1,1,0,0,0,0|1,0,0]=3 1802 B10R1.113 Brc1cccc(n1)C(=O)N 1P002RBC [1,1,0,0,0,0|2,0,0]=4 1803 B10R1.113 Brc1cccc(n1)C(=O)O 1P003NLN [1,1,0,0,0,0|2,0,0]=4 1804 B10R1.113 CC(=C)c1cc(Br)cnc1 1P00CJ77 [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.113 CC(=C)c1cc(Cl)cnc1 1P00Q7ZC [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.113 CC(=O)c1cc(Br)ccn1 1P008X5S [1,1,0,0,0,0|1,0,0]=3 1807 B10R1.113 CC(=O)c1cc(Br)cnc1 1P003JA1 [1,1,0,0,0,0|1,0,0]=3 1808 B10R1.113 CC(=O)c1cc(Cl)ccn1 1P00EAZB [1,1,0,0,0,0|1,0,0]=3 1809 B10R1.113 CC(=O)c1cc(Cl)cnc1 1P0096YV [1,1,0,0,0,0|1,0,0]=3 1810 B10R1.113 CC(=O)c1cc(Cl)ncn1 1P00I4HG [1,1,0,0,0,0|2,0,0]=4 1811 B10R1.113 CC(=O)c1cc(F)cnc1 1P007HHH [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.113 CC(=O)c1cc(N)ccn1 1P01FPBD [1,1,0,0,0,0|1,0,0]=3 1813 B10R1.113 CC(=O)c1cc(O)cnc1 1P00H2TX [1,1,0,0,0,0|1,0,0]=3 1814 B10R1.113 CC(=O)c1cc[nH]c(=N)n1 1P008RVN [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.113 CC(=O)c1cncc(n1)Cl 1P000Q11 [1,1,0,0,0,0|0,0,0]=2 1816 B10R1.113 CN(c1cncc(n1)Cl)C 1P00EEOT [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.113 CN(c1cncc(n1)I)C 1P009BAS [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.113 C[n+]1cc(ncc1)C(=O)O 1P01F00X [1,1,0,0,0,0|1,0,1]=4 1819 B10R1.113 Cc1cc(cnc1)C(=O)N 1P003ND0 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.113 Cc1cc(cnc1)C(=O)O 1P003ND1 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.113 Cc1cc(ncc1)C(=O)O 1P0036FE [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.113 Cc1cccc(c1)C(=O)C 1P00IAUW [1,1,0,0,0,0|2,0,0]=4 1823 B10R1.113 Cc1cccc(n1)C(=O)C 1P003GRV [1,1,0,0,0,0|1,0,0]=3 1824 B10R1.113 Cc1cccc(n1)C(=O)Cl 1P00F4ND [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.113 Cc1cccc(n1)C(=O)N 1P00EMDK [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.113 Cc1cccc(n1)C(=O)O 1P0034U5 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.113 Cc1ccnc(c1)C(=O)C 1P003GRN [1,1,0,0,0,0|1,0,0]=3 1828 B10R1.113 Cc1cncc(c1)C(=O)C 1P00CAT8 [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.113 Cc1cncc(n1)C(=O)N 1P00DGIS [1,1,0,0,0,0|1,0,0]=3 1830 B10R1.113 Cc1cncc(n1)C(=O)O 1P0036OU [1,1,0,0,0,0|1,0,0]=3 1831 B10R1.113 Cc1nccc(n1)C(=O)C 1P00FAON [1,1,0,0,0,0|2,0,0]=4 1832 B10R1.113 Cc1ncnc(c1)C(=O)C 1P006MMZ [1,1,0,0,0,0|2,0,0]=4 1833 B10R1.113 ClC(=O)c1cc(Br)cnc1 1P003N1C [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.113 Clc1cccc(n1)C(=O)C 1P00APS1 [1,1,0,0,0,0|1,0,0]=3 1835 B10R1.113 Clc1cccc(n1)C(=O)Cl 1P0055OQ [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.113 Clc1cccc(n1)C(=O)N 1P0067G9 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.113 Clc1cccc(n1)C(=O)O 1P00I91Z [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.113 Clc1ccnc(c1)C(=O)Cl 1P00DEPJ [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.113 Clc1cncc(c1)C(=O)Cl 1P004PP2 [1,1,0,0,0,0|2,0,0]=4 1840 B10R1.113 Clc1cncc(n1)C(=O)Cl 1P001LKS [1,1,0,0,0,0|1,0,0]=3 1841 B10R1.113 Clc1nccc(n1)C(=O)C 1P000W9C [1,1,0,0,0,0|2,0,0]=4 1842 B10R1.113 Fc1cccc(c1)C(=O)C 1P003JXP [1,1,0,0,0,0|2,0,0]=4 1843 B10R1.113 Fc1cccc(n1)C(=O)C 1P006WGK [1,1,0,0,0,0|1,0,0]=3 1844 B10R1.113 Fc1cccc(n1)C(=O)N 1P00C7F7 [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.113 Fc1cccc(n1)C(=O)O 1P003HSX [1,1,0,0,0,0|2,0,0]=4 1846 B10R1.113 Ic1cccc(c1)C(=O)C 1P001K5K [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.113 Ic1cccc(n1)C(=O)O 1P00IAAK [1,1,0,0,0,0|2,0,0]=4 1848 B10R1.113 NC(=O)c1cc(Br)ccn1 1P00ECYG [1,1,0,0,0,0|2,0,0]=4 1849 B10R1.113 NC(=O)c1cc(Br)cnc1 1P002WR4 [1,1,0,0,0,0|2,0,0]=4 1850 B10R1.113 NC(=O)c1cc(Cl)ccn1 1P003LP2 [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.113 NC(=O)c1cc(Cl)cnc1 1P00C4C5 [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.113 NC(=O)c1cc(F)cnc1 1P003N8D [1,1,0,0,0,0|2,0,0]=4 1853 B10R1.113 NC(=O)c1cc(O)cnc1 1P000550 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.113 NC(=O)c1cncc(n1)Br 1P01JZAV [1,1,0,0,0,0|1,0,0]=3 1855 B10R1.113 NC(=O)c1cncc(n1)Cl 1P00C7DU [1,1,0,0,0,0|1,0,0]=3 1856 B10R1.113 NC(=O)c1cncc(n1)O 1P028A72 [1,1,0,0,0,0|1,0,0]=3 1857 B10R1.113 Nc1cc(cnc1)C(=O)O 1P003MV4 [1,1,0,0,0,0|2,0,0]=4 1858 B10R1.113 Nc1cc(ncc1)C(=O)O 1P00014A [1,1,0,0,0,0|2,0,0]=4 1859 B10R1.113 Nc1cc(ncc1)C(=O)O 1P000ZD8 [1,1,0,0,0,0|2,0,0]=4 1860 B10R1.113 Nc1cc(ncc1)C(=O)O 1P003L8Q [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.113 Nc1cccc(c1)C(=O)C 1P003JDU [1,1,0,0,0,0|2,0,0]=4 1862 B10R1.113 Nc1cccc(n1)C(=O)C 1P0096CI [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.113 Nc1cccc(n1)C(=O)N 1P009WEN [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.113 Nc1cccc(n1)C(=O)O 1P002OE4 [1,1,0,0,0,0|2,0,0]=4 1865 B10R1.113 Nc1ccnc(c1)C(=O)N 1P0001IS [1,1,0,0,0,0|2,0,0]=4 1866 B10R1.113 Nc1cncc(c1)C(=O)N 1P003MV3 [1,1,0,0,0,0|2,0,0]=4 1867 B10R1.113 Nc1cncc(n1)C(=O)O 1P003NJM [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.113 OC(=O)c1cc(Br)ccn1 1P0031O8 [1,1,0,0,0,0|2,0,0]=4 1869 B10R1.113 OC(=O)c1cc(Br)cnc1 1P002K2H [1,1,0,0,0,0|2,0,0]=4 1870 B10R1.113 OC(=O)c1cc(Cl)ccn1 1P003LP3 [1,1,0,0,0,0|2,0,0]=4 1871 B10R1.113 OC(=O)c1cc(Cl)cnc1 1P007ONC [1,1,0,0,0,0|2,0,0]=4 1872 B10R1.113 OC(=O)c1cc(F)ccn1 1P003A14 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.113 OC(=O)c1cc(F)cnc1 1P0034QK [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.113 OC(=O)c1cc(I)ccn1 1P00I8FB [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.113 OC(=O)c1cc(I)cnc1 1P00AKQU [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.113 OC(=O)c1cc(S)cnc1 1P01C2E3 [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.113 OC(=O)c1cncc(=O)[nH]1 1P001B0Z [1,1,0,0,0,0|1,0,1]=4 1878 B10R1.113 OC(=O)c1cncc(n1)Br 1P000PR6 [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.113 OC(=O)c1cncc(n1)Cl 1P002OLN [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.113 Oc1cccc(c1)C(=O)C 1P003K0U [1,1,0,0,0,0|2,0,0]=4 1881 B10R1.113 Oc1cccc(n1)C(=O)N 1P01DD88 [1,1,0,0,0,0|2,0,0]=4 1882 B10R1.113 Oc1ccnc(c1)C(=O)O 1P0034J9 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.113 Oc1cncc(c1)C(=O)O 1P002VC0 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.113 Sc1cccc(c1)C(=O)C 1P01AK0X [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.113 [O-]C(=O)c1cncc(n1)O 1P01BDFO [1,1,0,0,0,0|1,0,0]=3 1886 B10R1.113 [O-][n+]1cccc(c1)C(=O)C 1P001HRT [1,1,0,0,0,0|1,0,1]=4 1887 B10R1.2 COc1nccc(c1C)Br 1P0083MK [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.2 COc1nccc(c1C)I 1P01XFNW [1,1,0,0,0,0|2,0,0]=4 1889 B10R1.2 COc1nccc(c1C)N 1P01V73M [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.2 O=Cc1cccc(c1C)Br 1P004YKO [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.2 O=Cc1cccc(c1C)C 1P0033EV [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.2 O=Cc1cccc(c1C)Cl 1P004GNE [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.2 O=Cc1cccc(c1C)F 1P001FIH [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.2 O=Cc1cccc(c1C)I 1P00OSDY [1,1,0,0,0,0|2,0,0]=4 1895 B10R1.2 O=Cc1cccc(c1C)O 1P00H1EC [1,1,0,0,0,0|2,0,0]=4 1896 B10R1.2 O=Cc1nccc(c1Br)Br 1P0288H7 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.2 O=Cc1nccc(c1Br)C 1P009JRY [1,1,0,0,0,0|2,0,0]=4 1898 B10R1.2 O=Cc1nccc(c1Br)Cl 1P009XVD [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.2 O=Cc1nccc(c1C)Cl 1P01JJT1 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.2 O=Cc1nccc(c1Cl)Cl 1P024US4 [1,1,0,0,0,0|2,0,0]=4 1901 B10R1.2 O=Cc1nccc(c1F)Br 1P01KKIS [1,1,0,0,0,0|2,0,0]=4 1902 B10R1.2 O=Cc1nccc(c1F)Cl 1P000RZC [1,1,0,0,0,0|2,0,0]=4 1903 B10R1.2 O=Cc1nccc(c1F)F 1P01SP03 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.2 O=Cc1nccc(c1N)C 1P028AMA [1,1,0,0,0,0|2,0,0]=4 1905 B10R1.2 O=Cc1nccc(c1O)Cl 1P027TU6 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [1,1,0,0,0,0|1,0,1]=4 1907 B10R1.4 CCCc1nccnc1N 1P01B74B [1,1,0,0,0,0|1,0,1]=4 1908 B10R1.4 CCNc1ncccc1C 1P01BI60 [1,1,0,0,0,0|1,0,1]=4 1909 B10R1.4 CCNc1nccnc1Cl 1P01ADOY [1,1,0,0,0,0|1,0,1]=4 1910 B10R1.4 CCNc1nccnc1N 1P00H39U [1,1,0,0,0,0|1,0,1]=4 1911 B10R1.4 CCOc1nccnc1Cl 1P00K0RP [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.4 CCOc1nccnc1N 1P0042RB [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.4 CNCc1ncccc1C 1P004GWM [1,1,0,0,0,0|1,0,1]=4 1914 B10R1.4 Cc1ncccc1CCN 1P00E8BN [1,1,0,0,0,0|1,0,1]=4 1915 B10R1.4 Cc1ncccc1CNC 1P003I33 [1,1,0,0,0,0|1,0,1]=4 1916 B10R1.4 Cc1ncccc1NCC 1P01BHU6 [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.4 Cc1ncccc1\C=N/O 1P024ZS2 [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.4 Cc1nccnc1CC#N 1P01BIFE [1,1,0,0,0,0|0,0,2]=4 1919 B10R1.4 Cc1nccnc1CCN 1P01AN51 [1,1,0,0,0,0|0,0,1]=3 1920 B10R1.4 Cc1nccnc1CCO 1P00E9U6 [1,1,0,0,0,0|0,0,1]=3 1921 B10R1.4 Cc1nccnc1NCC 1P01BHBI [1,1,0,0,0,0|0,0,1]=3 1922 B10R1.4 Cc1nccnc1OCC 1P003JU7 [1,1,0,0,0,0|0,0,1]=3 1923 B10R1.4 NCCc1ncccc1C 1P004NE2 [1,1,0,0,0,0|1,0,1]=4 1924 B10R1.4 NCCc1ncccc1C 1P01C4WV [1,1,0,0,0,0|1,0,1]=4 1925 B10R1.4 O=CNc1ccccc1C 1P00GWAW [1,1,0,0,0,0|2,0,0]=4 1926 B10R1.4 OCCc1ncccc1C 1P00DDGW [1,1,0,0,0,0|1,0,1]=4 1927 B10R1.20 C#Cc1nccnc1OC 1P009GA8 [1,1,0,0,0,0|0,0,2]=4 1928 B10R1.20 CCc1cccnc1C=O 1P028QR1 [1,1,0,0,0,0|1,0,0]=3 1929 B10R1.20 CCc1cccnc1CCl 1P02893D [1,1,0,0,0,0|1,0,1]=4 1930 B10R1.20 CCc1cccnc1CN 1P01A3Z1 [1,1,0,0,0,0|1,0,1]=4 1931 B10R1.20 CCc1ncccc1C=O 1P00KEMW [1,1,0,0,0,0|1,0,0]=3 1932 B10R1.20 CCc1ncccc1CCl 1P028R6K [1,1,0,0,0,0|1,0,1]=4 1933 B10R1.20 CCc1ncccc1CO 1P01B7OZ [1,1,0,0,0,0|1,0,1]=4 1934 B10R1.20 CCc1nccnc1CC 1P001PNP [1,1,0,0,0,0|0,0,1]=3 1935 B10R1.20 CNc1cccnc1CN 1P01BGGE [1,1,0,0,0,0|2,0,0]=4 1936 B10R1.20 CNc1cccnc1OC 1P01AKCY [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.20 CNc1ncccc1C=O 1P00383H [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.20 CNc1ncccc1C=O 1P00J1KK [1,1,0,0,0,0|1,0,0]=3 1939 B10R1.20 CNc1ncccc1CN 1P009464 [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.20 CNc1ncccc1CN 1P028GWW [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.20 CNc1ncccc1CO 1P00BXVP [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.20 CNc1ncccc1OC 1P00GSOH [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.20 COc1cccnc1C=O 1P00757W [1,1,0,0,0,0|1,0,0]=3 1944 B10R1.20 COc1cccnc1CBr 1P00H1GU [1,1,0,0,0,0|2,0,0]=4 1945 B10R1.20 COc1cccnc1CCl 1P00J2PV [1,1,0,0,0,0|2,0,0]=4 1946 B10R1.20 COc1cccnc1CN 1P001RDF [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.20 COc1cccnc1CN 1P00IB19 [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.20 COc1cccnc1CO 1P00DG0S [1,1,0,0,0,0|2,0,0]=4 1949 B10R1.20 COc1cncnc1C=O 1P0284VY [1,1,0,0,0,0|2,0,0]=4 1950 B10R1.20 COc1ncccc1C=O 1P006AHW [1,1,0,0,0,0|1,0,0]=3 1951 B10R1.20 COc1ncccc1CBr 1P003INQ [1,1,0,0,0,0|2,0,0]=4 1952 B10R1.20 COc1ncccc1CCl 1P001T4O [1,1,0,0,0,0|2,0,0]=4 1953 B10R1.20 COc1ncccc1CCl 1P007R59 [1,1,0,0,0,0|2,0,0]=4 1954 B10R1.20 COc1ncccc1CN 1P000HEH [1,1,0,0,0,0|2,0,0]=4 1955 B10R1.20 COc1ncccc1CN 1P00CJ84 [1,1,0,0,0,0|2,0,0]=4 1956 B10R1.20 COc1ncccc1CO 1P0083MJ [1,1,0,0,0,0|2,0,0]=4 1957 B10R1.20 COc1ncccc1OC 1P00I9VK [1,1,0,0,0,0|2,0,0]=4 1958 B10R1.20 COc1nccnc1CC 1P007MTD [1,1,0,0,0,0|0,0,1]=3 1959 B10R1.20 COc1nccnc1CCl 1P00HGER [1,1,0,0,0,0|1,0,0]=3 1960 B10R1.20 COc1nccnc1CO 1P01DEB9 [1,1,0,0,0,0|1,0,0]=3 1961 B10R1.20 COc1nccnc1NN 1P002LJV [1,1,0,0,0,0|2,0,0]=4 1962 B10R1.20 COc1nccnc1OC 1P00G0K5 [1,1,0,0,0,0|1,0,0]=3 1963 B10R1.20 COc1ncncc1C=O 1P00A8V7 [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.20 CSc1nccnc1CC 1P003HNN [1,1,0,0,0,0|0,0,1]=3 1965 B10R1.20 N#Cc1nccnc1NC 1P01AVFQ [1,1,0,0,0,0|1,0,1]=4 1966 B10R1.20 N#Cc1nccnc1SC 1P01B28M [1,1,0,0,0,0|1,0,1]=4 1967 B10R1.20 NCc1nccnc1CC 1P028WL2 [1,1,0,0,0,0|0,0,1]=3 1968 B10R1.20 O=Cc1ccccc1CC 1P002LZX [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.20 O=Cc1ccccc1CF 1P01C7H1 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.20 O=Cc1ccccc1NC 1P008PC6 [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.20 O=Cc1ccccc1OC 1P003I0D [1,1,0,0,0,0|2,0,0]=4 1972 B10R1.20 O=Cc1ccccc1SC 1P003FK4 [1,1,0,0,0,0|2,0,0]=4 1973 B10R1.20 O=Cc1cccnc1C#N 1P00104T [1,1,0,0,0,0|1,0,1]=4 1974 B10R1.20 O=Cc1ncccc1C#N 1P00C7F4 [1,1,0,0,0,0|1,0,1]=4 1975 B10R1.20 O=Cc1nccnc1OC 1P00EDQW [1,1,0,0,0,0|0,0,0]=2 1976 B10R1.25 Brc1nc(Br)ccc1C=O 1P00DGH0 [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.25 C=Cc1ncc(cc1C)C 1P01C587 [1,1,0,0,0,0|1,0,1]=4 1978 B10R1.25 CCc1ncc(cc1C)C 1P007TY5 [1,1,0,0,0,0|1,0,1]=4 1979 B10R1.25 CCc1ncc(nc1C)C 1P00HVY7 [1,1,0,0,0,0|0,0,1]=3 1980 B10R1.25 CCc1ncc(nc1Cl)Cl 1P000WS7 [1,1,0,0,0,0|1,0,1]=4 1981 B10R1.25 CNc1ncc(cc1C)Br 1P002P3D [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.25 CNc1ncc(nc1Br)Br 1P00IG7I [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.25 CNc1ncc(nc1Cl)Br 1P01JZK6 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.25 COc1ncc(cc1C)Br 1P003MY3 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.25 COc1ncc(cc1C)C 1P01AUVZ [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.25 COc1ncc(cc1C)F 1P00GV4H [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.25 COc1ncc(cc1C)N 1P008FPQ [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.25 COc1ncc(cc1C)O 1P0015WC [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.25 COc1ncc(nc1Br)Br 1P008WCU [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.25 COc1ncc(nc1C)C 1P006I0F [1,1,0,0,0,0|1,0,0]=3 1991 B10R1.25 COc1ncc(nc1Cl)Cl 1P00HX8W [1,1,0,0,0,0|2,0,0]=4 1992 B10R1.25 COc1ncc(nc1N)Cl 1P0038L3 [1,1,0,0,0,0|2,0,0]=4 1993 B10R1.25 CSc1ncc(nc1C)C 1P003BF8 [1,1,0,0,0,0|1,0,0]=3 1994 B10R1.25 CSc1ncc(nc1Cl)Cl 1P00HYGV [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.25 Cc1ccc(c(n1)Br)C=O 1P004M5B [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.25 Cc1ccc(c(n1)Cl)C=O 1P003A5J [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.25 Cc1ccc(c(n1)N)C=O 1P0089RW [1,1,0,0,0,0|2,0,0]=4 1998 B10R1.25 Cc1nc(Br)ccc1C=O 1P006G7P [1,1,0,0,0,0|1,0,0]=3 1999 B10R1.25 Cc1nc(Br)ccc1OC 1P004Y4C [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.25 Cc1nc(C)ccc1C=O 1P00EAFE [1,1,0,0,0,0|1,0,0]=3 2001 B10R1.25 Cc1nc(C)cnc1C=O 1P028JD8 [1,1,0,0,0,0|0,0,0]=2 2002 B10R1.25 Cc1nc(C)cnc1CCl 1P006JQR [1,1,0,0,0,0|1,0,1]=4 2003 B10R1.25 Cc1nc(Cl)ccc1C=O 1P004F2R [1,1,0,0,0,0|1,0,0]=3 2004 B10R1.25 Cc1nc(Cl)ccc1OC 1P000U2H [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.25 Cc1nc(Cl)cnc1C#N 1P009FI3 [1,1,0,0,0,0|1,0,1]=4 2006 B10R1.25 Cc1nc(F)ccc1C=O 1P004K07 [1,1,0,0,0,0|1,0,0]=3 2007 B10R1.25 Cc1nc(N)ccc1C=C 1P0223GE [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.25 Cc1nc(N)cnc1C#N 1P009FS5 [1,1,0,0,0,0|1,0,1]=4 2009 B10R1.25 Cc1nc(O)ccc1OC 1P00CMLN [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.25 Clc1ccc(c(n1)Br)C=O 1P0084VC [1,1,0,0,0,0|2,0,0]=4 2011 B10R1.25 Clc1nc(Br)ccc1C=O 1P008VE9 [1,1,0,0,0,0|2,0,0]=4 2012 B10R1.25 Clc1nc(Cl)ccc1C=O 1P0033I3 [1,1,0,0,0,0|2,0,0]=4 2013 B10R1.25 Clc1nc(Cl)cnc1C=O 1P0012YY [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.25 Fc1ccc(c(n1)Br)C=O 1P01BUNV [1,1,0,0,0,0|2,0,0]=4 2015 B10R1.25 Fc1ccc(c(n1)Cl)C=O 1P000JR7 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.25 Fc1nc(Br)ccc1C=O 1P000JU6 [1,1,0,0,0,0|2,0,0]=4 2017 B10R1.25 Fc1nc(Cl)ccc1C=O 1P003ASE [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.25 Fc1nc(F)ccc1C=O 1P001OIW [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.25 Nc1ccc(c(n1)Br)C=O 1P00KERG [1,1,0,0,0,0|2,0,0]=4 2020 B10R1.25 Nc1nc(Br)ccc1C=O 1P000PT8 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.25 Nc1nc(Cl)ccc1C=O 1P00EA8N [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.25 Nc1nc(Cl)ccc1C=O 1P027VH5 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.25 Nc1nc(Cl)cnc1C=O 1P00414P [1,1,0,0,0,0|1,0,0]=3 2024 B10R1.25 O=Cc1ccc(=O)[nH]c1C 1P0207HL [1,1,0,0,0,0|1,0,1]=4 2025 B10R1.25 O=Cc1ccc(cc1C)Br 1P0034EA [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.25 O=Cc1ccc(cc1C)C 1P001Q22 [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.25 O=Cc1ccc(cc1C)Cl 1P00BZSI [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.25 O=Cc1ccc(cc1C)F 1P003LTX [1,1,0,0,0,0|2,0,0]=4 2029 B10R1.25 O=Cc1ccc(cc1C)O 1P0037OK [1,1,0,0,0,0|2,0,0]=4 2030 B10R1.25 O=Cc1cnc(nc1C)C 1P01A6HN [1,1,0,0,0,0|2,0,0]=4 2031 B10R1.25 O=Cc1ncc(cc1Br)Br 1P0033ZT [1,1,0,0,0,0|2,0,0]=4 2032 B10R1.25 O=Cc1ncc(cc1Br)Cl 1P000JU8 [1,1,0,0,0,0|2,0,0]=4 2033 B10R1.25 O=Cc1ncc(cc1Br)F 1P009YR2 [1,1,0,0,0,0|2,0,0]=4 2034 B10R1.25 O=Cc1ncc(cc1C)Br 1P00C05K [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.25 O=Cc1ncc(cc1C)C 1P00FEVE [1,1,0,0,0,0|1,0,0]=3 2036 B10R1.25 O=Cc1ncc(cc1C)F 1P00GAS8 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.25 O=Cc1ncc(cc1Cl)Br 1P0049AP [1,1,0,0,0,0|2,0,0]=4 2038 B10R1.25 O=Cc1ncc(cc1Cl)C 1P024DTT [1,1,0,0,0,0|2,0,0]=4 2039 B10R1.25 O=Cc1ncc(cc1Cl)Cl 1P00DIBZ [1,1,0,0,0,0|2,0,0]=4 2040 B10R1.25 O=Cc1ncc(cc1F)Br 1P0036LQ [1,1,0,0,0,0|2,0,0]=4 2041 B10R1.25 O=Cc1ncc(cc1F)C 1P01XC2W [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.25 O=Cc1ncc(cc1F)Cl 1P00BFQO [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.25 O=Cc1ncc(cc1F)F 1P00GA63 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.25 O=Cc1ncc(cc1I)Br 1P027U20 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.25 O=Cc1ncc(cc1N)Br 1P000YZV [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.25 O=Cc1ncc(cc1N)F 1P00A3U4 [1,1,0,0,0,0|2,0,0]=4 2047 B10R1.25 O=Cc1ncc(cc1O)Br 1P000JTE [1,1,0,0,0,0|2,0,0]=4 2048 B10R1.30 CCc1cc(N)cnc1C 1P028SZB [1,1,0,0,0,0|1,0,1]=4 2049 B10R1.30 CCc1nc(C)cnc1C 1P003A0D [1,1,0,0,0,0|0,0,1]=3 2050 B10R1.30 CCc1nc(C)cnc1C 1P019DEZ [1,1,0,0,0,0|0,0,1]=3 2051 B10R1.30 CCc1nc(Cl)ccc1C 1P00J32K [1,1,0,0,0,0|1,0,1]=4 2052 B10R1.30 CNc1nc(Br)cnc1N 1P003GWY [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.30 CNc1nc(C)cnc1C 1P027YCH [1,1,0,0,0,0|1,0,0]=3 2054 B10R1.30 COc1cc(Br)cnc1C 1P000G9Z [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.30 COc1cc(O)cnc1C 1P028B40 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.30 COc1nc(Br)cnc1Br 1P00DH5N [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.30 COc1nc(Br)cnc1Cl 1P00414Q [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.30 COc1nc(Br)cnc1I 1P00707P [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.30 COc1nc(Br)cnc1N 1P0034OO [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.30 COc1nc(C)cnc1C 1P002C04 [1,1,0,0,0,0|1,0,0]=3 2061 B10R1.30 COc1nc(C)cnc1Cl 1P01JZWT [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.30 COc1nc(C)cnc1N 1P0088KP [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.30 COc1nc(Cl)cnc1Br 1P01FRIZ [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.30 COc1nc(Cl)cnc1N 1P00H39X [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.30 COc1nc(N)cnc1Br 1P01FT1Z [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.30 O=Cc1cc(Br)ccc1C 1P00IGGA [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.30 O=Cc1cc(Br)cnc1Br 1P004QPV [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.30 O=Cc1cc(Br)cnc1Cl 1P0036M3 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.30 O=Cc1cc(Br)cnc1F 1P003MXS [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.30 O=Cc1cc(Br)cnc1N 1P002J9J [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.30 O=Cc1cc(C)ccc1C 1P003GGC [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.30 O=Cc1cc(C)cnc1Br 1P000JSN [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.30 O=Cc1cc(C)cnc1Cl 1P00GSJ7 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.30 O=Cc1cc(C)cnc1F 1P000C3M [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.30 O=Cc1cc(C)cnc1N 1P0007RT [1,1,0,0,0,0|2,0,0]=4 2076 B10R1.30 O=Cc1cc(C)nnc1C 1P01C8KP [1,1,0,0,0,0|2,0,0]=4 2077 B10R1.30 O=Cc1cc(Cl)ccc1C 1P00EKCM [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.30 O=Cc1cc(Cl)cnc1Br 1P000JVB [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.30 O=Cc1cc(Cl)cnc1C 1P007WDD [1,1,0,0,0,0|1,0,0]=3 2080 B10R1.30 O=Cc1cc(Cl)cnc1Cl 1P00254W [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.30 O=Cc1cc(Cl)cnc1F 1P004AFK [1,1,0,0,0,0|2,0,0]=4 2082 B10R1.30 O=Cc1cc(Cl)cnc1N 1P00DCAO [1,1,0,0,0,0|2,0,0]=4 2083 B10R1.30 O=Cc1cc(F)ccc1C 1P003N7R [1,1,0,0,0,0|2,0,0]=4 2084 B10R1.30 O=Cc1cc(F)cnc1Br 1P0202G5 [1,1,0,0,0,0|2,0,0]=4 2085 B10R1.30 O=Cc1cc(F)cnc1Cl 1P004X9P [1,1,0,0,0,0|2,0,0]=4 2086 B10R1.30 O=Cc1cc(I)cnc1N 1P003GXT [1,1,0,0,0,0|2,0,0]=4 2087 B10R1.30 O=Cc1cc(O)ccc1C 1P00BJ2G [1,1,0,0,0,0|2,0,0]=4 2088 B10R1.30 O=Cc1nc(Br)ccc1Br 1P009YJH [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.30 O=Cc1nc(Br)ccc1C 1P021VWE [1,1,0,0,0,0|1,0,0]=3 2090 B10R1.30 O=Cc1nc(Br)ccc1Cl 1P0092BQ [1,1,0,0,0,0|2,0,0]=4 2091 B10R1.30 O=Cc1nc(Br)ccc1F 1P0047LH [1,1,0,0,0,0|2,0,0]=4 2092 B10R1.30 O=Cc1nc(Br)ccc1N 1P024SL4 [1,1,0,0,0,0|2,0,0]=4 2093 B10R1.30 O=Cc1nc(Br)cnc1Br 1P000X3D [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.30 O=Cc1nc(Br)cnc1N 1P000PTB [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.30 O=Cc1nc(C)ccc1Br 1P01K5U2 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.30 O=Cc1nc(C)ccc1Cl 1P01EEM4 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.30 O=Cc1nc(C)ccc1F 1P0036LA [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.30 O=Cc1nc(C)ccc1O 1P00FDMQ [1,1,0,0,0,0|2,0,0]=4 2099 B10R1.30 O=Cc1nc(Cl)ccc1Br 1P008WUA [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.30 O=Cc1nc(Cl)ccc1Cl 1P00C7KW [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.30 O=Cc1nc(Cl)ccc1F 1P008D44 [1,1,0,0,0,0|2,0,0]=4 2102 B10R1.30 O=Cc1nc(Cl)ccc1N 1P0081CH [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.30 O=Cc1nc(Cl)cnc1Cl 1P009WZZ [1,1,0,0,0,0|1,0,0]=3 2104 B10R1.30 O=Cc1nc(Cl)cnc1N 1P00IG30 [1,1,0,0,0,0|1,0,0]=3 2105 B10R1.30 O=Cc1nc(F)ccc1Br 1P01FLZC [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.30 O=Cc1nc(F)ccc1F 1P009D4T [1,1,0,0,0,0|2,0,0]=4 2107 B10R1.245 COc1c(Br)ccnc1C 1P000JU1 [1,1,0,0,0,0|2,0,0]=4 2108 B10R1.245 COc1c(Cl)ccnc1C 1P007EX9 [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.245 COc1c(N)ccnc1C 1P00J3CX [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.245 O=Cc1c(Br)ccnc1Br 1P000Y6V [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.245 O=Cc1c(Br)ccnc1Cl 1P000Y6X [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.245 O=Cc1c(Br)ccnc1F 1P000Y6Z [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.245 O=Cc1c(C)cccc1Br 1P002576 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.245 O=Cc1c(C)cccc1C 1P0033IJ [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.245 O=Cc1c(C)cccc1Cl 1P000J6B [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.245 O=Cc1c(C)cccc1F 1P003HRU [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.245 O=Cc1c(C)cccc1N 1P01FXMP [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.245 O=Cc1c(C)cccc1O 1P00288N [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.245 O=Cc1c(C)ccnc1C 1P001Y87 [1,1,0,0,0,0|1,0,0]=3 2120 B10R1.245 O=Cc1c(C)ncnc1C 1P020534 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.245 O=Cc1c(Cl)ccnc1Br 1P000YZN [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.245 O=Cc1c(Cl)ccnc1Cl 1P0033FV [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.245 O=Cc1c(Cl)ccnc1F 1P000KOE [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.245 O=Cc1c(Cl)ccnc1N 1P00H3N8 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.245 O=Cc1c(F)ccnc1Cl 1P01EANO [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.245 O=Cc1c(F)ccnc1F 1P000JS3 [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.245 O=Cc1c(F)ccnc1N 1P028J58 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.245 O=Cc1c(I)ccnc1Cl 1P0038QP [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.245 O=Cc1c(I)ccnc1F 1P0034JE [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.245 O=Cc1c(N)ccnc1Cl 1P00CL7G [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.245 O=Cc1c(O)ccnc1Br 1P01XCSW [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.39 BrCc1occc1C(=O)O 1P00HUYF [0,1,0,0,1,0|2,0,0]=4 2133 B10R1.39 CCc1[nH]ccc1C(=O)O 1P01BH8V [0,1,0,0,1,0|1,0,1]=4 2134 B10R1.39 CCc1c[nH]nc1C(=O)O 1P02899S [0,1,0,0,1,0|2,0,0]=4 2135 B10R1.39 CCc1c[nH]nc1C(=O)O 1P028V9O [0,1,0,0,1,0|2,0,0]=4 2136 B10R1.39 CCc1ccoc1C(=O)O 1P01C5EG [0,1,0,0,1,0|2,0,0]=4 2137 B10R1.39 CCc1ccsc1C(=O)N 1P00BBLN [0,1,0,0,1,0|2,0,0]=4 2138 B10R1.39 CCc1ccsc1C(=O)O 1P005GFH [0,1,0,0,1,0|2,0,0]=4 2139 B10R1.39 CCc1conc1C(=O)O 1P028UXL [0,1,0,0,1,0|2,0,0]=4 2140 B10R1.39 CCc1n[nH]cc1C(=O)O 1P0003AA [0,1,0,0,1,0|2,0,0]=4 2141 B10R1.39 CCc1n[nH]nc1C(=O)O 1P024OQ5 [0,1,0,0,1,0|2,0,0]=4 2142 B10R1.39 CCc1nc[nH]c1C(=O)O 1P01B2NU [0,1,0,0,1,0|1,0,1]=4 2143 B10R1.39 CCc1ncoc1C(=O)O 1P01ALX9 [0,1,0,0,1,0|2,0,0]=4 2144 B10R1.39 CCc1ncsc1C(=O)O 1P000TW3 [0,1,0,0,1,0|2,0,0]=4 2145 B10R1.39 CCc1nocc1C(=O)O 1P00IBRM [0,1,0,0,1,0|2,0,0]=4 2146 B10R1.39 CCc1nonc1C(=O)O 1P01DVF5 [0,1,0,0,1,0|2,0,0]=4 2147 B10R1.39 CCc1ocnc1C(=O)O 1P003ZJM [0,1,0,0,1,0|2,0,0]=4 2148 B10R1.39 CCc1sccc1C(=O)O 1P01BH5F [0,1,0,0,1,0|2,0,0]=4 2149 B10R1.39 CCc1scnc1C(=O)O 1P004RBN [0,1,0,0,1,0|2,0,0]=4 2150 B10R1.39 CCn1cccc1C(=O)C 1P0077WO [0,1,0,0,1,0|2,0,0]=4 2151 B10R1.39 CCn1ccnc1C(=O)C 1P01ANL7 [0,1,0,0,1,0|1,0,0]=3 2152 B10R1.39 CCn1ccnc1C(=O)[O-] 1P00H9RF [0,1,0,0,1,0|2,0,0]=4 2153 B10R1.39 CCn1nccc1C(=O)C 1P005WF1 [0,1,0,0,1,0|1,0,0]=3 2154 B10R1.39 CCn1nccc1C(=O)O 1P003380 [0,1,0,0,1,0|2,0,0]=4 2155 B10R1.39 CCn1ncnc1C(=O)[O-] 1P024VK6 [0,1,0,0,1,0|2,0,0]=4 2156 B10R1.39 CNc1scnc1C(=O)O 1P01AIQ9 [0,1,0,0,1,0|2,0,0]=4 2157 B10R1.39 COc1c[nH]nc1C(=O)O 1P028I89 [0,1,0,0,1,0|2,0,0]=4 2158 B10R1.39 COc1ccsc1C(=O)C 1P00DJQD [0,1,0,0,1,0|1,0,0]=3 2159 B10R1.39 COc1ccsc1C(=O)Cl 1P01BFQP [0,1,0,0,1,0|2,0,0]=4 2160 B10R1.39 COc1ccsc1C(=O)N 1P00GHE0 [0,1,0,0,1,0|2,0,0]=4 2161 B10R1.39 COc1ccsc1C(=O)O 1P00EAY2 [0,1,0,0,1,0|2,0,0]=4 2162 B10R1.39 COc1conc1C(=O)[O-] 1P0285G5 [0,1,0,0,1,0|2,0,0]=4 2163 B10R1.39 COc1n[nH]cc1C(=O)O 1P01JUPV [0,1,0,0,1,0|2,0,0]=4 2164 B10R1.39 COc1nscc1C(=O)C 1P01DZCI [0,1,0,0,1,0|1,0,0]=3 2165 B10R1.39 COc1nscc1C(=O)O 1P01AV4J [0,1,0,0,1,0|2,0,0]=4 2166 B10R1.39 CSc1ccsc1C(=O)O 1P01ABYI [0,1,0,0,1,0|2,0,0]=4 2167 B10R1.39 CSc1sccc1C(=O)O 1P005XMR [0,1,0,0,1,0|2,0,0]=4 2168 B10R1.39 ClCc1nocc1C(=O)O 1P01FL49 [0,1,0,0,1,0|2,0,0]=4 2169 B10R1.39 NCc1ccoc1C(=O)O 1P01AJRG [0,1,0,0,1,0|2,0,0]=4 2170 B10R1.39 NCc1ccsc1C(=O)O 1P01FIWQ [0,1,0,0,1,0|2,0,0]=4 2171 B10R1.39 NCc1nc[nH]c1C(=O)O 1P028BSJ [0,1,0,0,1,0|1,0,1]=4 2172 B10R1.39 NCc1nocc1C(=O)O 1P01C59S [0,1,0,0,1,0|2,0,0]=4 2173 B10R1.39 NCc1occc1C(=O)O 1P01DXCX [0,1,0,0,1,0|2,0,0]=4 2174 B10R1.39 NCc1ocnc1C(=O)O 1P028NJ3 [0,1,0,0,1,0|2,0,0]=4 2175 B10R1.39 OCc1ccsc1C(=O)O 1P01R06P [0,1,0,0,1,0|2,0,0]=4 2176 B10R1.39 SCc1occc1C(=O)O 1P01DZ8G [0,1,0,0,1,0|2,0,0]=4 2177 B10R1.59 Brc1cc(c(o1)C(=O)O)C 1P00ED7Z [0,1,0,0,1,0|2,0,0]=4 2178 B10R1.59 Brc1cc(c(s1)C(=O)C)Br 1P00GAU1 [0,1,0,0,1,0|2,0,0]=4 2179 B10R1.59 Brc1cc(c(s1)C(=O)O)C 1P00C7LV [0,1,0,0,1,0|2,0,0]=4 2180 B10R1.59 Brc1nc(c(o1)C(=O)O)C 1P000AWF [0,1,0,0,1,0|2,0,0]=4 2181 B10R1.59 Brc1nc(c(s1)C(=O)C)C 1P0091W5 [0,1,0,0,1,0|1,0,0]=3 2182 B10R1.59 Brc1nc(c(s1)C(=O)N)C 1P01JHK8 [0,1,0,0,1,0|2,0,0]=4 2183 B10R1.59 Brc1nc(c(s1)C(=O)O)C 1P003H5E [0,1,0,0,1,0|2,0,0]=4 2184 B10R1.59 Brc1oc(c(c1)C(=O)O)C 1P004SZ7 [0,1,0,0,1,0|2,0,0]=4 2185 B10R1.59 Brc1oc(c(n1)C(=O)O)C 1P01XCFX [0,1,0,0,1,0|2,0,0]=4 2186 B10R1.59 Brc1sc(c(c1)C(=O)C)Br 1P0036YP [0,1,0,0,1,0|2,0,0]=4 2187 B10R1.59 Brc1sc(c(c1)C(=O)C)C 1P019S6Y [0,1,0,0,1,0|1,0,0]=3 2188 B10R1.59 Brc1sc(c(c1)C(=O)C)Cl 1P02935N [0,1,0,0,1,0|2,0,0]=4 2189 B10R1.59 Brc1sc(c(c1)C(=O)C)I 1P027WPH [0,1,0,0,1,0|2,0,0]=4 2190 B10R1.59 Brc1sc(c(c1)C(=O)O)C 1P009KMQ [0,1,0,0,1,0|2,0,0]=4 2191 B10R1.59 Brc1sc(c(n1)C(=O)C)C 1P01C1OE [0,1,0,0,1,0|1,0,0]=3 2192 B10R1.59 Brc1sc(c(n1)C(=O)O)C 1P000J83 [0,1,0,0,1,0|2,0,0]=4 2193 B10R1.59 Cc1cc(c(o1)C(=O)C)C 1P002M2X [0,1,0,0,1,0|1,0,0]=3 2194 B10R1.59 Cc1cc(c(o1)C(=O)O)C 1P00C0J3 [0,1,0,0,1,0|2,0,0]=4 2195 B10R1.59 Cc1cc(c(s1)C(=O)O)C 1P01BXXD [0,1,0,0,1,0|2,0,0]=4 2196 B10R1.59 Cc1cc(nn1C(=O)N)C 1P003J5W [0,1,0,0,1,0|2,0,0]=4 2197 B10R1.59 Cc1nc(c(o1)C(=O)C)C 1P002MBG [0,1,0,0,1,0|1,0,0]=3 2198 B10R1.59 Cc1nc(c(o1)C(=O)Cl)C 1P005V9T [0,1,0,0,1,0|2,0,0]=4 2199 B10R1.59 Cc1nc(c(o1)C(=O)N)C 1P00A8G6 [0,1,0,0,1,0|2,0,0]=4 2200 B10R1.59 Cc1nc(c(o1)C(=O)O)C 1P002QXO [0,1,0,0,1,0|2,0,0]=4 2201 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P0038FG [0,1,0,0,1,0|1,0,0]=3 2202 B10R1.59 Cc1nc(c(s1)C(=O)C)C 1P00487J [0,1,0,0,1,0|1,0,0]=3 2203 B10R1.59 Cc1nc(c(s1)C(=O)O)C 1P0033GI [0,1,0,0,1,0|2,0,0]=4 2204 B10R1.59 Cc1nn(c(c1)C(=O)C)C 1P0036TP [0,1,0,0,1,0|1,0,0]=3 2205 B10R1.59 Cc1oc(c(c1)C(=O)C)C 1P003J9R [0,1,0,0,1,0|1,0,0]=3 2206 B10R1.59 Cc1oc(c(c1)C(=O)O)C 1P00EAJZ [0,1,0,0,1,0|2,0,0]=4 2207 B10R1.59 Cc1oc(c(n1)C(=O)C)C 1P002MA4 [0,1,0,0,1,0|1,0,0]=3 2208 B10R1.59 Cc1oc(c(n1)C(=O)O)C 1P002MA3 [0,1,0,0,1,0|2,0,0]=4 2209 B10R1.59 Cc1sc(c(c1)C(=O)C)C 1P003J9S [0,1,0,0,1,0|1,0,0]=3 2210 B10R1.59 Cc1sc(c(c1)C(=O)O)C 1P002TMG [0,1,0,0,1,0|2,0,0]=4 2211 B10R1.59 Cc1sc(c(n1)C(=O)C)C 1P00DDGC [0,1,0,0,1,0|1,0,0]=3 2212 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P007T19 [0,1,0,0,1,0|2,0,0]=4 2213 B10R1.59 Cc1sc(c(n1)C(=O)O)C 1P01B23X [0,1,0,0,1,0|2,0,0]=4 2214 B10R1.59 Clc1nc(c(s1)C(=O)C)C 1P00BKG0 [0,1,0,0,1,0|1,0,0]=3 2215 B10R1.59 Clc1nc(c(s1)C(=O)C)Cl 1P01PX59 [0,1,0,0,1,0|2,0,0]=4 2216 B10R1.59 Clc1nc(c(s1)C(=O)O)C 1P0076IS [0,1,0,0,1,0|2,0,0]=4 2217 B10R1.59 Clc1sc(c(c1)C(=O)C)Br 1P0293BB [0,1,0,0,1,0|2,0,0]=4 2218 B10R1.59 Clc1sc(c(c1)C(=O)C)Cl 1P003J9Q [0,1,0,0,1,0|2,0,0]=4 2219 B10R1.59 Clc1sc(c(n1)C(=O)O)C 1P000J84 [0,1,0,0,1,0|2,0,0]=4 2220 B10R1.59 Cn1cc(c(c1)C(=O)C)C 1P0292RL [0,1,0,0,1,0|2,0,0]=4 2221 B10R1.59 Cn1cc(c(n1)C(=O)O)C 1P0089JZ [0,1,0,0,1,0|2,0,0]=4 2222 B10R1.59 Cn1cc(c(n1)C(=O)O)C 1P01C3WH [0,1,0,0,1,0|2,0,0]=4 2223 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00DC1M [0,1,0,0,1,0|1,0,0]=3 2224 B10R1.59 Cn1nc(c(c1)C(=O)C)C 1P00J3FC [0,1,0,0,1,0|1,0,0]=3 2225 B10R1.59 Cn1nc(c(c1)C(=O)C)Cl 1P028W8D [0,1,0,0,1,0|2,0,0]=4 2226 B10R1.59 Cn1nc(c(c1)C(=O)O)C 1P0036NH [0,1,0,0,1,0|2,0,0]=4 2227 B10R1.59 Cn1nc(c(n1)C(=O)O)C 1P0292TV [0,1,0,0,1,0|2,0,0]=4 2228 B10R1.59 Cn1nc(cc1C(=O)C)Br 1P027XI7 [0,1,0,0,1,0|1,0,0]=3 2229 B10R1.59 Cn1nc(cc1C(=O)N)C 1P0012NQ [0,1,0,0,1,0|2,0,0]=4 2230 B10R1.59 Cn1nc(cc1C(=O)N)I 1P0280Z4 [0,1,0,0,1,0|2,0,0]=4 2231 B10R1.59 Cn1nc(cc1C(=O)O)Br 1P01A29Z [0,1,0,0,1,0|2,0,0]=4 2232 B10R1.59 Cn1nc(cc1C(=O)O)C 1P00332N [0,1,0,0,1,0|2,0,0]=4 2233 B10R1.59 Cn1nc(cc1C(=O)O)Cl 1P001ZP2 [0,1,0,0,1,0|2,0,0]=4 2234 B10R1.59 Cn1nc(cc1C(=O)O)I 1P01BS5Y [0,1,0,0,1,0|2,0,0]=4 2235 B10R1.59 Cn1nc(cc1C(=O)O)N 1P000IEK [0,1,0,0,1,0|2,0,0]=4 2236 B10R1.59 Fc1cc(c(s1)C(=O)O)C 1P02870P [0,1,0,0,1,0|2,0,0]=4 2237 B10R1.59 Nc1cn(c(n1)C(=O)N)C 1P00G99P [0,1,0,0,1,0|2,0,0]=4 2238 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P0031KT [0,1,0,0,1,0|1,0,0]=3 2239 B10R1.59 Nc1nc(c(s1)C(=O)C)C 1P019LN4 [0,1,0,0,1,0|1,0,0]=3 2240 B10R1.59 Nc1nc(c(s1)C(=O)O)C 1P005PJW [0,1,0,0,1,0|2,0,0]=4 2241 B10R1.59 Nc1nn(c(c1)C(=O)N)C 1P0284P1 [0,1,0,0,1,0|2,0,0]=4 2242 B10R1.59 Nc1sc(c(n1)C(=O)C)Br 1P028ZDX [0,1,0,0,1,0|2,0,0]=4 2243 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00C68M [0,1,0,0,1,0|1,0,0]=3 2244 B10R1.59 Nc1sc(c(n1)C(=O)C)C 1P00J4KL [0,1,0,0,1,0|1,0,0]=3 2245 B10R1.59 Nc1sc(c(n1)C(=O)O)C 1P003GY5 [0,1,0,0,1,0|2,0,0]=4 2246 B10R1.59 OC(=O)c1[nH]c(cc1C)C 1P00I8YA [0,1,0,0,1,0|1,0,1]=4 2247 B10R1.59 OC(=O)c1[nH]c(nc1C)N 1P00J2ND [0,1,0,0,1,0|1,0,1]=4 2248 B10R1.59 OC(=O)c1cc([nH]c1C)C 1P00E9HR [0,1,0,0,1,0|1,0,1]=4 2249 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P004UNB [0,1,0,0,1,0|1,0,1]=4 2250 B10R1.59 OC(=O)c1nc([nH]c1C)C 1P01AN9I [0,1,0,0,1,0|1,0,1]=4 2251 B10R1.59 Oc1nc(c(s1)C(=O)O)C 1P004DZR [0,1,0,0,1,0|2,0,0]=4 2252 B10R1.59 Oc1sc(c(n1)C(=O)O)C 1P01C5CA [0,1,0,0,1,0|2,0,0]=4 2253 B10R1.59 [O-]C(=O)c1nc(nn1C)Br 1P028S1J [0,1,0,0,1,0|2,0,0]=4 2254 B10R1.59 [O-]C(=O)c1nc(nn1C)C 1P01FKO7 [0,1,0,0,1,0|2,0,0]=4 2255 B10R1.65 Cc1n[nH]cc1S(=O)(=O)C 1P028MIB [0,1,0,0,1,0|2,0,0]=4 2256 B10R1.65 Cc1occc1S(=O)(=N)C 1P01BVTY [0,1,0,0,1,0|2,0,0]=4 2257 B10R1.65 Cc1occc1S(=O)(=O)C 1P028A8M [0,1,0,0,1,0|2,0,0]=4 2258 B10R1.65 Cn1ccnc1S(=O)(=N)C 1P01BVTB [0,1,0,0,1,0|2,0,0]=4 2259 B10R1.65 Cn1nccc1S(=O)(=N)C 1P028NOK [0,1,0,0,1,0|2,0,0]=4 2260 B10R1.149 BrCC(=O)c1cccn1C 1P00ETNS [0,1,0,0,1,0|2,0,0]=4 2261 B10R1.149 BrCC(=O)c1nccn1C 1P00G4JJ [0,1,0,0,1,0|1,0,0]=3 2262 B10R1.149 BrCC(=O)c1sccc1Br 1P008LAG [0,1,0,0,1,0|2,0,0]=4 2263 B10R1.149 CC(=NO)c1scnc1C 1P019NCU [0,1,0,0,1,0|1,0,1]=4 2264 B10R1.149 CCC(=O)c1ccnn1C 1P00J25Q [0,1,0,0,1,0|1,0,0]=3 2265 B10R1.149 CCC(=O)c1nccn1C 1P01A388 [0,1,0,0,1,0|1,0,0]=3 2266 B10R1.149 CCC(=O)c1ncnn1C 1P007ISE [0,1,0,0,1,0|1,0,0]=3 2267 B10R1.149 CCC(=O)c1occc1C 1P006VKZ [0,1,0,0,1,0|1,0,0]=3 2268 B10R1.149 CCC(=O)c1sccc1Cl 1P01BICY [0,1,0,0,1,0|2,0,0]=4 2269 B10R1.149 CNC(=O)c1ccsc1N 1P00BHU3 [0,1,0,0,1,0|2,0,0]=4 2270 B10R1.149 CNC(=O)c1nonc1N 1P00BDZG [0,1,0,0,1,0|2,0,0]=4 2271 B10R1.149 CNC(=O)c1sccc1N 1P00ADD6 [0,1,0,0,1,0|2,0,0]=4 2272 B10R1.149 COC(=O)c1[nH]ccc1Br 1P003S8B [0,1,0,0,1,0|1,0,1]=4 2273 B10R1.149 COC(=O)c1[nH]ccc1C 1P00CMET [0,1,0,0,1,0|0,0,1]=3 2274 B10R1.149 COC(=O)c1[nH]ccc1Cl 1P003S8J [0,1,0,0,1,0|1,0,1]=4 2275 B10R1.149 COC(=O)c1[nH]ccc1N 1P028PE9 [0,1,0,0,1,0|1,0,1]=4 2276 B10R1.149 COC(=O)c1[nH]ccc1O 1P00G7H9 [0,1,0,0,1,0|1,0,1]=4 2277 B10R1.149 COC(=O)c1c(Br)nc[nH]1 1P008ZJC [0,1,0,0,1,0|1,0,1]=4 2278 B10R1.149 COC(=O)c1c[nH]cc1C 1P00CB72 [0,1,0,0,1,0|2,0,0]=4 2279 B10R1.149 COC(=O)c1c[nH]nc1C 1P002MWI [0,1,0,0,1,0|1,0,0]=3 2280 B10R1.149 COC(=O)c1c[nH]nc1I 1P000TUC [0,1,0,0,1,0|2,0,0]=4 2281 B10R1.149 COC(=O)c1c[nH]nc1N 1P002XQY [0,1,0,0,1,0|2,0,0]=4 2282 B10R1.149 COC(=O)c1cc[nH]c1C 1P00CL8Q [0,1,0,0,1,0|0,0,1]=3 2283 B10R1.149 COC(=O)c1cc[nH]c1Cl 1P01B625 [0,1,0,0,1,0|1,0,1]=4 2284 B10R1.149 COC(=O)c1cccn1C 1P00BYMU [0,1,0,0,1,0|2,0,0]=4 2285 B10R1.149 COC(=O)c1ccnn1C 1P0026DE [0,1,0,0,1,0|1,0,0]=3 2286 B10R1.149 COC(=O)c1ccoc1Br 1P002BKR [0,1,0,0,1,0|2,0,0]=4 2287 B10R1.149 COC(=O)c1ccoc1C 1P003S5G [0,1,0,0,1,0|1,0,0]=3 2288 B10R1.149 COC(=O)c1ccoc1I 1P02936F [0,1,0,0,1,0|2,0,0]=4 2289 B10R1.149 COC(=O)c1ccsc1Br 1P008OBJ [0,1,0,0,1,0|2,0,0]=4 2290 B10R1.149 COC(=O)c1ccsc1C 1P00D9FB [0,1,0,0,1,0|1,0,0]=3 2291 B10R1.149 COC(=O)c1ccsc1Cl 1P00ID72 [0,1,0,0,1,0|2,0,0]=4 2292 B10R1.149 COC(=O)c1ccsc1F 1P00GGSC [0,1,0,0,1,0|2,0,0]=4 2293 B10R1.149 COC(=O)c1ccsc1N 1P0035MG [0,1,0,0,1,0|2,0,0]=4 2294 B10R1.149 COC(=O)c1cnnn1C 1P003S1A [0,1,0,0,1,0|2,0,0]=4 2295 B10R1.149 COC(=O)c1cnoc1C 1P000143 [0,1,0,0,1,0|2,0,0]=4 2296 B10R1.149 COC(=O)c1cnsc1C 1P01EJ3J [0,1,0,0,1,0|2,0,0]=4 2297 B10R1.149 COC(=O)c1conc1Br 1P01B2HI [0,1,0,0,1,0|2,0,0]=4 2298 B10R1.149 COC(=O)c1conc1C 1P00IHIN [0,1,0,0,1,0|1,0,0]=3 2299 B10R1.149 COC(=O)c1cscc1C 1P00F5JT [0,1,0,0,1,0|2,0,0]=4 2300 B10R1.149 COC(=O)c1csnc1C 1P00FHT2 [0,1,0,0,1,0|1,0,0]=3 2301 B10R1.149 COC(=O)c1csnc1Cl 1P009GW0 [0,1,0,0,1,0|2,0,0]=4 2302 B10R1.149 COC(=O)c1n[nH]cc1Br 1P001V1M [0,1,0,0,1,0|2,0,0]=4 2303 B10R1.149 COC(=O)c1n[nH]cc1C 1P00FGTU [0,1,0,0,1,0|1,0,0]=3 2304 B10R1.149 COC(=O)c1n[nH]cc1C 1P01E944 [0,1,0,0,1,0|1,0,0]=3 2305 B10R1.149 COC(=O)c1n[nH]cc1Cl 1P0002S4 [0,1,0,0,1,0|2,0,0]=4 2306 B10R1.149 COC(=O)c1n[nH]cc1F 1P00GLJ7 [0,1,0,0,1,0|2,0,0]=4 2307 B10R1.149 COC(=O)c1n[nH]cc1I 1P00131P [0,1,0,0,1,0|2,0,0]=4 2308 B10R1.149 COC(=O)c1nc[nH]c1C 1P00J3VB [0,1,0,0,1,0|0,0,1]=3 2309 B10R1.149 COC(=O)c1nc[nH]c1N 1P00DIDC [0,1,0,0,1,0|1,0,1]=4 2310 B10R1.149 COC(=O)c1nccn1C 1P00EIZB [0,1,0,0,1,0|1,0,0]=3 2311 B10R1.149 COC(=O)c1ncnn1C 1P00ELAQ [0,1,0,0,1,0|1,0,0]=3 2312 B10R1.149 COC(=O)c1ncoc1Br 1P027W8J [0,1,0,0,1,0|2,0,0]=4 2313 B10R1.149 COC(=O)c1ncoc1C 1P0037P0 [0,1,0,0,1,0|1,0,0]=3 2314 B10R1.149 COC(=O)c1ncoc1N 1P00IBQW [0,1,0,0,1,0|2,0,0]=4 2315 B10R1.149 COC(=O)c1ncoc1N 1P0287FH [0,1,0,0,1,0|2,0,0]=4 2316 B10R1.149 COC(=O)c1ncsc1Br 1P00GTTY [0,1,0,0,1,0|2,0,0]=4 2317 B10R1.149 COC(=O)c1ncsc1C 1P00FD3D [0,1,0,0,1,0|1,0,0]=3 2318 B10R1.149 COC(=O)c1ncsc1Cl 1P0026IM [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.149 COC(=O)c1ncsc1N 1P000LPR [0,1,0,0,1,0|2,0,0]=4 2320 B10R1.149 COC(=O)c1nn[nH]c1C 1P00EYTM [0,1,0,0,1,0|1,0,1]=4 2321 B10R1.149 COC(=O)c1nncn1C 1P00FGWX [0,1,0,0,1,0|2,0,0]=4 2322 B10R1.149 COC(=O)c1nnsc1C 1P028I6K [0,1,0,0,1,0|2,0,0]=4 2323 B10R1.149 COC(=O)c1nonc1N 1P001QVX [0,1,0,0,1,0|2,0,0]=4 2324 B10R1.149 COC(=O)c1nscc1C 1P01BJ2B [0,1,0,0,1,0|1,0,0]=3 2325 B10R1.149 COC(=O)c1nscc1I 1P01C43K [0,1,0,0,1,0|2,0,0]=4 2326 B10R1.149 COC(=O)c1nscc1N 1P00FTV1 [0,1,0,0,1,0|2,0,0]=4 2327 B10R1.149 COC(=O)c1nsnc1Br 1P006US2 [0,1,0,0,1,0|2,0,0]=4 2328 B10R1.149 COC(=O)c1nsnc1N 1P00EISQ [0,1,0,0,1,0|2,0,0]=4 2329 B10R1.149 COC(=O)c1occc1Br 1P01C605 [0,1,0,0,1,0|2,0,0]=4 2330 B10R1.149 COC(=O)c1occc1C 1P003S9K [0,1,0,0,1,0|1,0,0]=3 2331 B10R1.149 COC(=O)c1occc1N 1P0022TT [0,1,0,0,1,0|2,0,0]=4 2332 B10R1.149 COC(=O)c1occc1N 1P00H97Y [0,1,0,0,1,0|2,0,0]=4 2333 B10R1.149 COC(=O)c1ocnc1Br 1P01JJOV [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.149 COC(=O)c1ocnc1C 1P002MBH [0,1,0,0,1,0|1,0,0]=3 2335 B10R1.149 COC(=O)c1sccc1Br 1P002SAQ [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.149 COC(=O)c1sccc1C 1P003S9S [0,1,0,0,1,0|1,0,0]=3 2337 B10R1.149 COC(=O)c1sccc1Cl 1P003S8M [0,1,0,0,1,0|2,0,0]=4 2338 B10R1.149 COC(=O)c1sccc1F 1P0002EM [0,1,0,0,1,0|2,0,0]=4 2339 B10R1.149 COC(=O)c1sccc1I 1P00EKSO [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.149 COC(=O)c1sccc1N 1P0035N7 [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.149 COC(=O)c1sccc1O 1P003S97 [0,1,0,0,1,0|2,0,0]=4 2342 B10R1.149 COC(=O)c1scnc1Br 1P01EC7B [0,1,0,0,1,0|2,0,0]=4 2343 B10R1.149 COC(=O)c1scnc1C 1P003A58 [0,1,0,0,1,0|1,0,0]=3 2344 B10R1.149 COC(=O)c1scnc1Cl 1P00H9YK [0,1,0,0,1,0|2,0,0]=4 2345 B10R1.149 COC(=O)c1scnc1N 1P002VAF [0,1,0,0,1,0|2,0,0]=4 2346 B10R1.149 Cc1c[nH]nc1C(=O)NN 1P005XX4 [0,1,0,0,1,0|2,0,0]=4 2347 B10R1.149 Cc1cnsc1C(=O)CCl 1P027U62 [0,1,0,0,1,0|2,0,0]=4 2348 B10R1.149 Cc1n[nH]cc1C(=O)NN 1P00JGZ6 [0,1,0,0,1,0|2,0,0]=4 2349 B10R1.149 Cc1nc[nH]c1C(=O)NN 1P0063X7 [0,1,0,0,1,0|1,0,1]=4 2350 B10R1.149 Cc1ncoc1C(=O)CCl 1P01DW1X [0,1,0,0,1,0|1,0,0]=3 2351 B10R1.149 Cc1ncsc1C(=O)CCl 1P01DX76 [0,1,0,0,1,0|1,0,0]=3 2352 B10R1.149 Cc1ncsc1C(=O)CN 1P028526 [0,1,0,0,1,0|1,0,0]=3 2353 B10R1.149 Cc1ncsc1C(=O)NN 1P0063OL [0,1,0,0,1,0|2,0,0]=4 2354 B10R1.149 Cc1nocc1C(=O)CCl 1P01EMCB [0,1,0,0,1,0|1,0,0]=3 2355 B10R1.149 Cc1nonc1C(=O)CCl 1P01C1SF [0,1,0,0,1,0|1,0,0]=3 2356 B10R1.149 Cc1occc1C(=O)CCl 1P01DW20 [0,1,0,0,1,0|1,0,0]=3 2357 B10R1.149 Cc1occc1C(=O)NN 1P00CWRZ [0,1,0,0,1,0|2,0,0]=4 2358 B10R1.149 Cc1ocnc1C(=O)CCl 1P01FILN [0,1,0,0,1,0|1,0,0]=3 2359 B10R1.149 Cc1ocnc1C(=O)NN 1P00BAH1 [0,1,0,0,1,0|2,0,0]=4 2360 B10R1.149 Cc1oncc1C(=O)CCl 1P01B1OB [0,1,0,0,1,0|2,0,0]=4 2361 B10R1.149 Cc1sccc1C(=O)NN 1P0276JM [0,1,0,0,1,0|2,0,0]=4 2362 B10R1.149 Cc1sncc1C(=O)CCl 1P0284T7 [0,1,0,0,1,0|2,0,0]=4 2363 B10R1.149 ClCC(=O)c1cccn1C 1P002OMD [0,1,0,0,1,0|2,0,0]=4 2364 B10R1.149 ClCC(=O)c1cnnn1C 1P01B9Y8 [0,1,0,0,1,0|2,0,0]=4 2365 B10R1.149 ClCC(=O)c1nccn1C 1P01A0AQ [0,1,0,0,1,0|1,0,0]=3 2366 B10R1.149 ClCC(=O)c1occc1C 1P01DVVV [0,1,0,0,1,0|1,0,0]=3 2367 B10R1.149 ClCC(=O)c1sccc1Br 1P01AHHU [0,1,0,0,1,0|2,0,0]=4 2368 B10R1.149 ClCC(=O)c1sccc1C 1P00DHWU [0,1,0,0,1,0|1,0,0]=3 2369 B10R1.149 ClCC(=O)c1sccc1Cl 1P01DX0I [0,1,0,0,1,0|2,0,0]=4 2370 B10R1.149 ClCC(=O)c1snnc1C 1P01DVW9 [0,1,0,0,1,0|2,0,0]=4 2371 B10R1.149 Cn1nccc1C(=O)CBr 1P0292MI [0,1,0,0,1,0|1,0,0]=3 2372 B10R1.149 Cn1nccc1C(=O)CCl 1P01B2TC [0,1,0,0,1,0|1,0,0]=3 2373 B10R1.149 Cn1nccc1C(=O)CN 1P01FLF8 [0,1,0,0,1,0|1,0,0]=3 2374 B10R1.149 Cn1ncnc1C(=O)CN 1P027ZYW [0,1,0,0,1,0|1,0,0]=3 2375 B10R1.149 FCC(=O)c1cnnn1C 1P01FJO4 [0,1,0,0,1,0|2,0,0]=4 2376 B10R1.149 NCC(=O)c1cnnn1C 1P027ZZY [0,1,0,0,1,0|2,0,0]=4 2377 B10R1.149 NCC(=O)c1sccc1Br 1P027X6G [0,1,0,0,1,0|2,0,0]=4 2378 B10R1.149 NNC(=O)c1nccn1C 1P007FEY [0,1,0,0,1,0|2,0,0]=4 2379 B10R1.149 NNC(=O)c1occc1C 1P00DWOJ [0,1,0,0,1,0|2,0,0]=4 2380 B10R1.149 NNC(=O)c1sccc1C 1P00C8X8 [0,1,0,0,1,0|2,0,0]=4 2381 B10R1.149 ON=C(c1nccn1C)C 1P019N31 [0,1,0,0,1,0|1,0,1]=4 2382 B10R1.192 CC(=O)c1c(Br)cnn1C 1P00J2EB [0,1,0,0,1,0|1,0,0]=3 2383 B10R1.192 CC(=O)c1c(C)c[nH]c1C 1P007NDJ [0,1,0,0,1,0|0,0,1]=3 2384 B10R1.192 CC(=O)c1c(C)cnn1C 1P01DVUR [0,1,0,0,1,0|1,0,0]=3 2385 B10R1.192 CC(=O)c1c(C)n[nH]c1C 1P007U19 [0,1,0,0,1,0|1,0,0]=3 2386 B10R1.192 CC(=O)c1c(C)noc1C 1P00CJA2 [0,1,0,0,1,0|1,0,0]=3 2387 B10R1.192 CC(=O)c1c(N)snc1Br 1P01BXYP [0,1,0,0,1,0|2,0,0]=4 2388 B10R1.192 CC(=O)c1c(N)snc1C 1P00GUV8 [0,1,0,0,1,0|1,0,0]=3 2389 B10R1.192 ClC(=O)c1c(C)noc1C 1P003J5O [0,1,0,0,1,0|2,0,0]=4 2390 B10R1.192 Cn1ncc(c1C(=O)N)Br 1P00K3HH [0,1,0,0,1,0|2,0,0]=4 2391 B10R1.192 Cn1ncc(c1C(=O)N)I 1P01JKGD [0,1,0,0,1,0|2,0,0]=4 2392 B10R1.192 Cn1ncc(c1C(=O)O)Br 1P008I3S [0,1,0,0,1,0|2,0,0]=4 2393 B10R1.192 Cn1ncc(c1C(=O)O)Cl 1P008I3T [0,1,0,0,1,0|2,0,0]=4 2394 B10R1.192 Cn1ncc(c1C(=O)O)I 1P0036C8 [0,1,0,0,1,0|2,0,0]=4 2395 B10R1.192 Cn1ncc(c1C(=O)O)N 1P0054Y2 [0,1,0,0,1,0|2,0,0]=4 2396 B10R1.192 Cn1ncc(c1C(=O)O)S 1P028ELD [0,1,0,0,1,0|2,0,0]=4 2397 B10R1.192 NC(=O)c1c(I)snc1C 1P019F44 [0,1,0,0,1,0|2,0,0]=4 2398 B10R1.192 NC(=O)c1c(N)[nH]nc1C 1P00IXG0 [0,1,0,0,1,0|2,0,0]=4 2399 B10R1.192 NC(=O)c1c(N)cnn1C 1P006HKL [0,1,0,0,1,0|2,0,0]=4 2400 B10R1.192 NC(=O)c1c(N)cnn1C 1P01EM46 [0,1,0,0,1,0|2,0,0]=4 2401 B10R1.192 NC(=O)c1c(N)onc1C 1P00C95I [0,1,0,0,1,0|2,0,0]=4 2402 B10R1.192 OC(=O)c1c(Br)[nH]nc1C 1P028061 [0,1,0,0,1,0|2,0,0]=4 2403 B10R1.192 OC(=O)c1c(Br)snc1C 1P01DWPU [0,1,0,0,1,0|2,0,0]=4 2404 B10R1.192 OC(=O)c1c(C)c[nH]c1C 1P00385A [0,1,0,0,1,0|1,0,1]=4 2405 B10R1.192 OC(=O)c1c(C)ccn1C 1P00D1KC [0,1,0,0,1,0|1,0,1]=4 2406 B10R1.192 OC(=O)c1c(C)cnn1C 1P0013RT [0,1,0,0,1,0|2,0,0]=4 2407 B10R1.192 OC(=O)c1c(C)coc1C 1P001N7R [0,1,0,0,1,0|2,0,0]=4 2408 B10R1.192 OC(=O)c1c(C)n[nH]c1C 1P000A7C [0,1,0,0,1,0|2,0,0]=4 2409 B10R1.192 OC(=O)c1c(C)n[nH]c1C 1P01ABX8 [0,1,0,0,1,0|2,0,0]=4 2410 B10R1.192 OC(=O)c1c(C)ncn1C 1P0053QN [0,1,0,0,1,0|1,0,1]=4 2411 B10R1.192 OC(=O)c1c(C)ncn1C 1P00I0FH [0,1,0,0,1,0|1,0,1]=4 2412 B10R1.192 OC(=O)c1c(C)ncn1O 1P0284I3 [0,1,0,0,1,0|1,0,1]=4 2413 B10R1.192 OC(=O)c1c(C)noc1C 1P002QXP [0,1,0,0,1,0|2,0,0]=4 2414 B10R1.192 OC(=O)c1c(C)nsc1C 1P01BAYS [0,1,0,0,1,0|2,0,0]=4 2415 B10R1.192 OC(=O)c1c(C)scc1Cl 1P0291MR [0,1,0,0,1,0|2,0,0]=4 2416 B10R1.192 OC(=O)c1c(Cl)[nH]nc1C 1P01E9IJ [0,1,0,0,1,0|2,0,0]=4 2417 B10R1.192 OC(=O)c1c(Cl)snc1C 1P01G7AG [0,1,0,0,1,0|2,0,0]=4 2418 B10R1.192 OC(=O)c1c(I)[nH]nc1C 1P0292JG [0,1,0,0,1,0|2,0,0]=4 2419 B10R1.192 OC(=O)c1c(I)snc1C 1P01DWG5 [0,1,0,0,1,0|2,0,0]=4 2420 B10R1.192 OC(=O)c1c(N)onc1C 1P0050VP [0,1,0,0,1,0|2,0,0]=4 2421 B10R1.192 OC(=O)c1c(N)snc1C 1P007PZM [0,1,0,0,1,0|2,0,0]=4 2422 B10R1.192 [O-]C(=O)c1c(C)ncn1C 1P028PP3 [0,1,0,0,1,0|1,0,1]=4 2423 B10R1.194 CC(=O)c1c[nH]c(c1C)Br 1P00BIQY [0,1,0,0,1,0|2,0,0]=4 2424 B10R1.194 CC(=O)c1ccn(c1C)C 1P00ALUO [0,1,0,0,1,0|0,0,1]=3 2425 B10R1.194 CC(=O)c1cnn(c1C)C 1P00BRZK [0,1,0,0,1,0|1,0,1]=4 2426 B10R1.194 CC(=O)c1scc(c1Br)Br 1P00EEK2 [0,1,0,0,1,0|2,0,0]=4 2427 B10R1.194 Cn1c(nnc1S)C(=O)C 1P0282P5 [0,1,0,0,1,0|2,0,0]=4 2428 B10R1.194 OC(=O)c1[nH]cc(c1C)C 1P0036QK [0,1,0,0,1,0|1,0,1]=4 2429 B10R1.194 OC(=O)c1[nH]cc(c1C)I 1P02937L [0,1,0,0,1,0|1,0,1]=4 2430 B10R1.194 OC(=O)c1ccn(c1C)C 1P00IGAB [0,1,0,0,1,0|1,0,1]=4 2431 B10R1.194 OC(=O)c1n[nH]c(c1C)Br 1P00H1I1 [0,1,0,0,1,0|2,0,0]=4 2432 B10R1.194 OC(=O)c1ncn(c1C)C 1P005C7X [0,1,0,0,1,0|1,0,1]=4 2433 B10R1.194 OC(=O)c1ncn(c1C)C 1P027KXU [0,1,0,0,1,0|1,0,1]=4 2434 B10R1.194 OC(=O)c1occ(c1C)C 1P01BAI3 [0,1,0,0,1,0|2,0,0]=4 2435 B10R1.194 OC(=O)c1scc(c1C)Br 1P002U68 [0,1,0,0,1,0|2,0,0]=4 2436 B10R1.194 OC(=O)c1scc(c1C)C 1P003WK4 [0,1,0,0,1,0|2,0,0]=4 2437 B10R1.194 OC(=O)c1scc(c1C)N 1P027VXQ [0,1,0,0,1,0|2,0,0]=4 2438 B10R1.194 [O-]C(=O)c1ncc(n1C)Br 1P01FJ5F [0,1,0,0,1,0|2,0,0]=4 2439 B10R1.194 [O-]C(=O)c1ncc(n1C)C 1P028W4Q [0,1,0,0,1,0|2,0,0]=4 2440 B10R1.194 [O-]C(=O)c1ncc(n1C)Cl 1P01BW6Q [0,1,0,0,1,0|2,0,0]=4 2441 B12R1.75 BrCc1ccccc1CC(=O)C 1P01C8VJ [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.75 BrCc1ccccc1OC(=O)C 1P00FD02 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.75 CCc1ccccc1OC(=O)C 1P00310J [0,1,0,0,0,1|2,0,0]=4 2444 B12R1.75 COc1ccccc1NC(=O)C 1P003TW2 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.75 COc1ccccc1OC(=O)C 1P007K8N [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.75 COc1cccnc1CC(=O)O 1P01BH08 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.75 COc1cccnc1CC(=O)[O-] 1P001V8R [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.75 COc1ncccc1CC(=O)O 1P00BXXI [0,1,0,0,0,1|2,0,0]=4 2449 B12R1.75 COc1nccnc1CC(C)C 1P003HXU [0,1,0,0,0,1|1,0,1]=4 2450 B12R1.75 CSc1ccccc1CC(=O)C 1P01A6PH [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.75 CSc1ccccc1NC(=O)C 1P00ECV1 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.75 CSc1ccccc1OC(=O)C 1P028MS5 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.75 ClCc1ccccc1NC(=O)C 1P01EMA2 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.75 N#Cc1cccnc1NC(=O)C 1P01BU4I [0,1,0,0,0,1|1,0,1]=4 2455 B12R1.75 NCc1ccccc1NC(=O)C 1P019Q8P [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.75 OCc1ccccc1NC(=O)C 1P002KO2 [0,1,0,0,0,1|2,0,0]=4 2457 B12R1.124 OC(=O)C(c1ncccc1C)O 1P01BGPB [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.124 [O-]C(=O)C(c1cccnc1C)C 1P0282I4 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.124 [O-]C(=O)C(c1ncccc1C)N 1P028OMX [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.127 CC(=O)Nc1cc(C)ccc1C 1P002A9U [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.127 CC(=O)Nc1nc(C)ccc1Br 1P01DUAE [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.127 CC(=O)Oc1cc(Br)cnc1I 1P008STQ [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.127 Cc1ccc(cc1NC(=O)C)Br 1P000CYH [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.127 Cc1ccc(cc1NC(=O)C)F 1P00CLHR [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.127 Cc1ccc(cc1NC(=O)C)N 1P00DCZN [0,1,0,0,0,1|2,0,0]=4 2466 B12R1.127 Cc1ccc(cc1OC(=O)C)Br 1P028OYV [0,1,0,0,0,1|2,0,0]=4 2467 B12R1.127 Cc1ncc(cc1CC(=O)O)Cl 1P028G4B [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.127 Cc1ncc(cc1NC(=O)C)Br 1P000UHO [0,1,0,0,0,1|1,0,0]=3 2469 B12R1.224 Cc1c(NC(=O)C)cccc1N 1P00FCWI [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.224 [O-]C(=O)Cc1nccc(c1C)Cl 1P028DI4 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1P003LDU [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1P002A9V [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1P00BZ68 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.233 CC(=O)Nc1ccc(cc1C)N 1P00EAK3 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.233 CC(=O)Nc1ccc(nc1C)N 1P01XCWW [0,1,0,0,0,1|1,0,0]=3 2476 B12R1.233 CC(=O)Nc1ncc(cc1C)Br 1P003GRY [0,1,0,0,0,1|1,0,0]=3 2477 B12R1.233 CC(=O)Oc1ccc(cc1C)Br 1P01AFPG [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.233 OC(=O)Cc1ccc(nc1C)Cl 1P01A25U [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.371 CNC(=O)Nc1ncccc1C 1P01DWY6 [0,1,0,0,0,1|1,0,0]=3 2481 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.371 COC(=O)Cc1cccnc1Cl 1P01XGGS [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.371 COC(=O)Cc1ncccc1Br 1P002GMY [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.371 COC(=O)Cc1ncccc1C 1P00HBUV [0,1,0,0,0,1|1,0,0]=3 2485 B12R1.371 ClCC(=O)Cc1ccccc1C 1P00JTS6 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.371 ClCC(=O)Nc1ccccc1C 1P00BZLF [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.371 Clc1ncccc1NC(=O)CCl 1P00CRPK [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.371 NCC(=O)Nc1ccccc1C 1P00J46J [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.371 Oc1ncccc1NC(=O)CCl 1P00940U [0,1,0,0,0,1|2,0,0]=4 2490 B12R1.1009 CC(=O)Nc1c(C)cccc1C 1P003SP2 [0,1,0,0,0,1|2,0,0]=4 2491 B12R1.1009 CC(=O)Nc1c(C)cccc1F 1P021S6H [0,1,0,0,0,1|2,0,0]=4 2492 B12R1.1009 CC(=O)Nc1c(C)cccc1O 1P00588T [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.1009 CC(=O)Nc1c(C)ccnc1Cl 1P00ID5E [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.46 CC(=O)c1cc(Br)cnc1OC 1P000OV9 [0,2,0,0,0,0|1,0,0]=3 2495 B12R1.46 CCc1ncc(cc1C(=O)O)Br 1P028KX2 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.46 CCc1ncc(cc1C(=O)O)Cl 1P01BSEF [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.46 CNc1ccc(nc1C(=O)N)Cl 1P02834E [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.46 CNc1ncc(cc1C(=O)O)N 1P0291MB [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.46 COc1ccc(cc1C(=O)C)Br 1P001XTH [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.46 COc1ccc(cc1C(=O)C)C 1P002IVJ [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1P00EAOD [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.46 COc1ccc(cc1C(=O)C)F 1P003MS3 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.46 COc1ccc(cc1C(=O)C)O 1P00CZ5I [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.46 COc1ccc(nc1C(=O)C)C 1P028RWP [0,2,0,0,0,0|1,0,0]=3 2505 B12R1.46 COc1ccc(nc1C(=O)O)Br 1P000OVG [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.46 COc1ccc(nc1C(=O)O)C 1P01H731 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.46 COc1ccc(nc1C(=O)O)C 1P02871E [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.46 COc1ncc(cc1C(=O)C)C 1P00HFVJ [0,2,0,0,0,0|1,0,0]=3 2509 B12R1.46 COc1ncc(cc1C(=O)N)N 1P019Z4M [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.46 COc1ncc(cc1C(=O)O)Br 1P003MY7 [0,2,0,0,0,0|2,0,0]=4 2511 B12R1.46 COc1ncc(cc1C(=O)O)C 1P000JTV [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.46 COc1ncc(cc1C(=O)O)Cl 1P0037P9 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.46 COc1ncc(cc1C(=O)O)F 1P004F31 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.46 COc1ncc(cc1C(=O)O)I 1P00HWCO [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.46 CSc1ccc(cc1C(=O)C)Br 1P02939Q [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.46 CSc1ccc(cc1C(=O)C)C 1P0293GN [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.57 CCc1cc(Br)ccc1C(=O)C 1P027W20 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.57 CNc1nc(C)ccc1C(=O)O 1P001OO3 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.57 COc1cc(Br)ccc1C(=O)C 1P003L23 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.57 COc1cc(Br)cnc1C(=O)C 1P01DMMT [0,2,0,0,0,0|1,0,0]=3 2521 B12R1.57 COc1cc(Br)cnc1C(=O)N 1P028496 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.57 COc1cc(Br)cnc1C(=O)O 1P000BBG [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.57 COc1cc(C)ccc1C(=O)C 1P007AFZ [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.57 COc1cc(C)cnc1C(=O)O 1P000OUY [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.57 COc1cc(Cl)ccc1C(=O)C 1P00EKSX [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.57 COc1cc(Cl)cnc1C(=O)O 1P000OSY [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.57 COc1cc(F)ccc1C(=O)C 1P00DA74 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.57 COc1cc(N)ccc1C(=O)C 1P00EKSY [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.57 COc1cc(O)ccc1C(=O)C 1P00DLQ6 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.57 COc1nc(Br)ccc1C(=O)O 1P0095OP [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.57 COc1nc(C)ccc1C(=O)O 1P00FIB6 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.57 COc1nc(C)cnc1C(=O)O 1P0293KN [0,2,0,0,0,0|1,0,0]=3 2533 B12R1.57 COc1nc(Cl)ccc1C(=O)O 1P00390S [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.57 COc1nc(N)ccc1C(=O)O 1P008TD8 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.57 CSc1nc(Cl)ccc1C(=O)O 1P019U6M [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.76 COc1nccnc1C(O)(C)C 1P01DWUW [0,2,0,0,0,0|0,0,2]=4 2537 B12R1.76 COc1nccnc1S(=O)(=O)F 1P0289FV [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.76 NCc1cccnc1P(=O)(C)C 1P02823M [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.76 NCc1cccnc1S(=O)(=O)C 1P028AOB [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.76 NCc1ncccc1S(=O)(=O)C 1P01BFLH [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.77 BrCC(=O)c1ccccc1OC 1P003H30 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.77 CCC(=O)c1ccccc1CC 1P001YD3 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.77 CCC(c1nccnc1OC)C 1P003HZD [0,2,0,0,0,0|1,0,1]=4 2544 B12R1.77 CNC(=O)c1ccccc1CO 1P00I8AZ [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.77 CNC(=O)c1ccccc1NC 1P01BJ4F [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.77 CNC(=O)c1cccnc1OC 1P01DYYO [0,2,0,0,0,0|1,0,0]=3 2547 B12R1.77 COC(=O)c1ccccc1CBr 1P007OKT [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.77 COC(=O)c1ccccc1CC 1P00DUHC [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.77 COC(=O)c1ccccc1CCl 1P003S48 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.77 COC(=O)c1ccccc1CN 1P00G4Z9 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.77 COC(=O)c1ccccc1CS 1P01C64T [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.77 COC(=O)c1ccccc1NC 1P004R73 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.77 COC(=O)c1ccccc1OC 1P003S56 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.77 COC(=O)c1ccccc1SC 1P007CSX [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.77 COC(=O)c1cccnc1C#N 1P003S4D [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.77 COC(=O)c1cccnc1C=O 1P00BJDW [0,2,0,0,0,0|1,0,1]=4 2557 B12R1.77 COC(=O)c1cccnc1CBr 1P000DX6 [0,2,0,0,0,0|1,0,0]=3 2558 B12R1.77 COC(=O)c1cccnc1CC 1P01K0MX [0,2,0,0,0,0|1,0,0]=3 2559 B12R1.77 COC(=O)c1cccnc1CCl 1P002604 [0,2,0,0,0,0|1,0,0]=3 2560 B12R1.77 COC(=O)c1cccnc1CN 1P00AMH7 [0,2,0,0,0,0|1,0,0]=3 2561 B12R1.77 COC(=O)c1cccnc1OC 1P003S57 [0,2,0,0,0,0|1,0,0]=3 2562 B12R1.77 COC(=O)c1ncccc1C#C 1P000PT9 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.77 COC(=O)c1ncccc1C#N 1P00DEEI [0,2,0,0,0,0|1,0,1]=4 2564 B12R1.77 COC(=O)c1ncccc1C=O 1P0014TI [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.77 COC(=O)c1ncccc1CBr 1P000DX5 [0,2,0,0,0,0|1,0,0]=3 2566 B12R1.77 COC(=O)c1ncccc1CN 1P01ECSB [0,2,0,0,0,0|1,0,0]=3 2567 B12R1.77 COC(=O)c1ncccc1OC 1P00C297 [0,2,0,0,0,0|1,0,0]=3 2568 B12R1.77 COC(=O)c1nccnc1C#C 1P028E7O [0,2,0,0,0,0|0,0,1]=3 2569 B12R1.77 COC(=O)c1nccnc1OC 1P00CJWM [0,2,0,0,0,0|0,0,0]=2 2570 B12R1.77 COC(=O)c1ncncc1OC 1P018I4I [0,2,0,0,0,0|2,0,0]=4 2571 B12R1.77 COc1ncccc1C(=O)CBr 1P01BA86 [0,2,0,0,0,0|1,0,0]=3 2572 B12R1.77 FCC(=O)c1ccccc1OC 1P00C5J9 [0,2,0,0,0,0|2,0,0]=4 2573 B12R1.77 NCC(=O)c1ccccc1CC 1P0280NB [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.77 NCC(=O)c1ccccc1OC 1P00CNEI [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.77 NCc1ncccc1C(=O)OC 1P028E5R [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.77 OCC(=O)c1ccccc1OC 1P006YFY [0,2,0,0,0,0|2,0,0]=4 2577 B12R1.87 COc1c(Br)cccc1C(=O)C 1P00BHZ8 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.87 COc1c(C)cccc1C(=O)C 1P00IBOE [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.87 COc1c(Cl)cccc1C(=O)C 1P006NTU [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.87 COc1c(Cl)ccnc1C(=O)O 1P00AO09 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.87 COc1c(F)cccc1C(=O)C 1P002Z8Y [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.87 COc1c(O)ccnc1C(=O)O 1P01BRL5 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.261 CC(=O)c1ccccc1C(=O)C 1P003DTZ [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.261 CC(=O)c1ccccc1C(F)F 1P01DZ78 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.261 CC(=O)c1ccccc1N(C)C 1P0097HG [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.261 CC(=O)c1cccnc1C(=O)O 1P00FHGV [0,2,0,0,0,0|1,0,1]=4 2587 B12R1.261 CN(c1cccnc1C(=O)O)C 1P01C2XP [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.261 CN(c1ncccc1C(=O)O)C 1P00GW74 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.261 CN(c1ncccc1C(=O)O)C 1P00VSZF [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.261 FC(c1cccnc1C(=O)O)F 1P00A0JO [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.261 FC(c1ncccc1C(=O)N)F 1P0022F6 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.261 FC(c1ncccc1C(=O)O)F 1P000OVK [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P00390Q [0,2,0,0,0,0|1,0,1]=4 2594 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P027UQ0 [0,2,0,0,0,0|1,0,1]=4 2595 B12R1.261 OC(=O)c1nccnc1C(=O)N 1P003UII [0,2,0,0,0,0|1,0,1]=4 2596 B12R1.261 OC(=O)c1nccnc1C(=O)O 1P00360A [0,2,0,0,0,0|1,0,1]=4 2597 B12R1.261 [O-]C(=O)c1nccnc1C(=O)[O-] 1P01EI8O [0,2,0,0,0,0|1,0,1]=4 2598 B12R1.261 [O-]C(=O)c1nccnc1C(C)C 1P027XI0 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.261 [O-][N+](=O)c1cccnc1C(=O)C 1P00AZIV [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.283 CCCc1cccnc1C(=O)O 1P007YYC [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.283 CCOc1ccccc1C(=O)C 1P003HMV [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.283 CCOc1cccnc1C(=O)O 1P00HANZ [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.283 CCOc1ncccc1C(=O)N 1P000PVR [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.283 CCOc1ncccc1C(=O)O 1P003HN7 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.283 CCOc1nccnc1C(C)C 1P003HML [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.283 CCSc1cccnc1C(=O)O 1P01C2I4 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.283 CCSc1nccnc1C(=O)O 1P01BI3X [0,2,0,0,0,0|1,0,0]=3 2608 B12R1.283 COCc1cccnc1C(=O)O 1P028DRV [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.283 CSCc1cccnc1C(=O)O 1P01BD11 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.283 N#CCc1ccccc1C(=O)C 1P00EC6N [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.437 COc1cccc(c1C(=O)C)Br 1P00CN78 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.437 COc1cccc(c1C(=O)C)C 1P003921 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.437 COc1cccc(c1C(=O)C)Cl 1P00H1EM [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.437 COc1cccc(c1C(=O)C)F 1P003HRO [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.437 COc1cccc(c1C(=O)C)N 1P01BDFJ [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.437 COc1cccc(c1C(=O)C)N 1P01BI30 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.437 COc1cccc(c1C(=O)C)O 1P003DBC [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.437 COc1cccc(c1C(=O)C)S 1P028UYF [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.437 COc1nccc(c1C(=O)C)F 1P01EKAJ [0,2,0,0,0,0|1,0,0]=3 2620 B12R1.437 COc1nccc(c1C(=O)O)Br 1P01DYYS [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.437 COc1nccc(c1C(=O)O)Cl 1P00EJFX [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.437 COc1nccc(c1C(=O)O)F 1P003B57 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.437 COc1nccc(c1C(=O)O)I 1P00FHUI [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.437 CSc1cccc(c1C(=O)C)O 1P028R4D [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.126 Cc1nc(N)ccc1S(=O)(=O)C 1P01BT0P [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.126 Nc1cnc(c(c1)C)S(=O)(=O)C 1P01DVL4 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.1000 Brc1cc(C)c(c(c1)F)C(=O)C 1P027V6K [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.1000 Brc1cc(C)c(c(c1)O)C(=O)C 1P01K14N [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.1000 CC(=O)c1c(C)cc(cc1C)Cl 1P01EARF [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.1000 CC(=O)c1c(C)nc([nH]c1=O)C 1P006WHN [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.1000 CC(=O)c1c(C)nc([nH]c1=S)C 1P01C4YG [0,2,0,0,0,0|2,0,0]=4 2632 B12R1.1000 Cc1cc(C)c(c(c1)C)C(=O)C 1P001XDI [0,2,0,0,0,0|2,0,0]=4 2633 B12R1.1000 Cc1cc(C)c(c(c1)O)C(=O)C 1P001W3D [0,2,0,0,0,0|2,0,0]=4 2634 B12R1.1000 Cc1cc(C)c(c(n1)C)C(=O)C 1P003J9O [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.1000 Cc1cc(Cl)c(c(n1)C)C(=O)O 1P00DDM3 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.1000 Cc1cc(O)c(c(n1)C)C(=O)O 1P00CMEM [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.1000 Clc1cc(C)c(c(n1)C)C(=O)O 1P00IBLB [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.1000 Clc1cc(Cl)c(c(n1)C)C(=O)O 1P003KZV [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.1000 Clc1cc(N)c(c(n1)C)C(=O)O 1P01XCZV [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.1000 Nc1cc(C)c(c(n1)C)C(=O)O 1P01C86H [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.1000 O=c1cc(O)c(c(o1)C)C(=O)C 1P002E1E [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.3441 BrCC(=O)c1c(C)cccc1C 1P021OIQ [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.3441 CNC(=O)c1c(C)cccc1N 1P01A9Z5 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.3441 COC(=O)c1c(Br)ccnc1Cl 1P00HBA1 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.3441 COC(=O)c1c(C)cccc1Br 1P006O3L [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.3441 COC(=O)c1c(C)cccc1C 1P001LXJ [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.3441 COC(=O)c1c(C)cccc1Cl 1P0065DC [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.3441 COC(=O)c1c(C)cccc1F 1P002BBH [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.3441 COC(=O)c1c(C)cccc1I 1P008ZOJ [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.3441 COC(=O)c1c(C)cccc1N 1P00AMGC [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.3441 COC(=O)c1c(C)cccc1O 1P007FFP [0,2,0,0,0,0|2,0,0]=4 2652 B12R1.3441 COC(=O)c1c(C)ccnc1Cl 1P00BJ4C [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.3441 COC(=O)c1c(C)ccnc1N 1P0056JS [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.3441 COC(=O)c1c(C)ncnc1C 1P004VU1 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.3441 COC(=O)c1c(C)ncnc1Cl 1P01DW6G [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.3441 COC(=O)c1c(C)ncnc1O 1P0287P4 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.3441 COC(=O)c1c(Cl)ccnc1Br 1P01XD31 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.3441 COC(=O)c1c(Cl)ccnc1C 1P000S9B [0,2,0,0,0,0|1,0,0]=3 2659 B12R1.3441 COC(=O)c1c(Cl)ccnc1Cl 1P003S2C [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.3441 COC(=O)c1c(F)ccnc1Br 1P028A8X [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.3441 COC(=O)c1c(F)ccnc1Cl 1P0022KF [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.3441 COC(=O)c1c(F)ccnc1F 1P0022MS [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.3441 COC(=O)c1c(I)ccnc1Cl 1P003S3Z [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.3441 COC(=O)c1c(I)ccnc1F 1P004F30 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.3441 COC(=O)c1c(I)ccnc1N 1P00I1NA [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.3441 COC(=O)c1c(N)ccnc1Cl 1P00068U [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.24 COC(=O)c1cccc(c1C)C 1P001MTL [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.24 COC(=O)c1nccc(c1Cl)Cl 1P00I79A [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.24 COC(=O)c1nccc(c1F)C 1P027N2M [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.24 COC(=O)c1nccc(c1F)Cl 1P0095WL [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.24 COC(=O)c1nccc(c1O)Br 1P01C70V [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.24 COC(=O)c1nccc(c1O)Cl 1P01AD2G [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.24 COC(=O)c1ncnc(c1C)C 1P0288FT [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.24 Cc1c(cccc1Br)C(=O)OC 1P003S82 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.24 Cc1c(cccc1Cl)C(=O)CBr 1P028BYL [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.24 Cc1c(cccc1Cl)C(=O)OC 1P0065D8 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.24 Cc1c(cccc1F)C(=O)OC 1P002ME4 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.24 Cc1c(cccc1I)C(=O)OC 1P00DAUI [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.24 Cc1c(cccc1N)C(=O)NC 1P00GW11 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.24 Cc1c(cccc1N)C(=O)OC 1P003S7K [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.24 Cc1c(cccc1O)C(=O)OC 1P00DLC8 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.24 Cc1c(nccc1Br)C(=O)OC 1P009YQ2 [0,2,0,0,0,0|1,0,0]=3 2683 B12R1.24 Cc1c(nccc1Cl)C(=O)OC 1P000RNJ [0,2,0,0,0,0|1,0,0]=3 2684 B12R1.24 Cc1c(nccc1N)C(=O)OC 1P0289T1 [0,2,0,0,0,0|1,0,0]=3 2685 B12R1.24 Cc1c(nccc1N)C(=O)OC 1P028JIX [0,2,0,0,0,0|1,0,0]=3 2686 B12R1.24 [O-][n+]1ccnc(c1N)C(=O)OC 1P00AOC8 [0,2,0,0,0,0|1,0,1]=4 2687 B12R1.440 COc1ccnc(c1C)C(=O)O 1P00AAE9 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.440 COc1ccnc(c1C)C(=O)O 1P027ZUD [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.511 Clc1cc(Cl)c(c(n1)C(=O)O)C 1P027Y43 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.511 Fc1cc(N)c(c(c1)C(=O)C)C 1P01KLOR [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.893 CC(=O)c1ccc(c(c1C)C)F 1P0283Y7 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.232 CC(=O)c1cc(Cl)c(cc1C)Cl 1P01DEFF [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.232 CN(c1nc(C)c(nc1C)C)C 1P00EJ7C [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.232 Cc1cc(C(=O)C)c(cc1C)C 1P0029P6 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.232 Cc1cc(C(=O)O)c(nc1C)C 1P01AC2Z [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.232 Cc1nc(C(=O)O)c(cc1N)C 1P01FITV [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.232 Cc1nc(C(=O)O)c(nc1C)C 1P00ANZL [0,2,0,0,0,0|1,0,0]=3 2698 B12R1.232 NC(=O)c1nc(Cl)c(nc1C)C 1P000DG7 [0,2,0,0,0,0|1,0,0]=3 2699 B12R1.232 NC(=O)c1nc(Cl)c(nc1N)Cl 1P001ILA [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.232 NC(=O)c1nc(Cl)c(nc1N)N 1P006V2V [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.232 OC(=O)c1cc(Br)c(nc1C)O 1P01BAK5 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.232 OC(=O)c1cc(Cl)c(nc1C)Cl 1P01AEGN [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.232 OC(=O)c1nc(Br)c(nc1N)N 1P009KK6 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.232 OC(=O)c1nc(Cl)c(nc1N)Cl 1P00DIBP [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.232 OC(=O)c1nc(Cl)c(nc1N)N 1P00DK3Z [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.232 OC(=O)c1nc(Cl)c(nc1N)O 1P01A3WI [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.452 C#Cc1cnc(c(c1)C)C(=O)O 1P028GP0 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.452 CCc1ccc(c(n1)C)C(=O)O 1P01AC74 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.452 CCc1ccc(c(n1)C)C(=O)O 1P028P65 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1P00C40K [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.452 COc1ccc(c(n1)C)C(=O)C 1P01K148 [0,2,0,0,0,0|1,0,0]=3 2712 B12R1.452 COc1ccc(c(n1)C)C(=O)O 1P000JRD [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.452 COc1cnc(c(c1)C)C(=O)O 1P00HIUU [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.452 COc1cnc(c(n1)C)C(=O)C 1P023Q5H [0,2,0,0,0,0|0,0,0]=2 2715 B12R1.452 COc1cnc(c(n1)N)C(=O)O 1P00HRWJ [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.452 CSc1ncc(c(n1)C)C(=O)C 1P00FD2W [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.452 N#Cc1ccc(c(c1)C)C(=O)C 1P00DOQY [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.452 N#Cc1ccc(c(n1)C)C(=O)O 1P01DZGC [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.452 N#Cc1cnc(c(c1)C)C(=O)O 1P00A0LC [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.452 N#Cc1cnc(c(c1)Cl)C(=O)C 1P0290LQ [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.452 NCc1ccc(c(n1)C)C(=O)C 1P01A2OU [0,2,0,0,0,0|1,0,0]=3 2722 B12R1.452 NCc1ccc(c(n1)C)C(=O)O 1P01A3XN [0,2,0,0,0,0|2,0,0]=4 2723 B12R1.1703 BrCC(=O)c1ccc(cc1C)C 1P002TB7 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1P00FM7G [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1P00C8SM [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1P01BGE0 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1P01A55F [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.1703 CNC(=O)c1ccc(cc1C)N 1P01NW4B [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.1703 COC(=O)c1ccc(=N)[nH]c1C 1P00GTX5 [0,2,0,0,0,0|1,0,1]=4 2730 B12R1.1703 COC(=O)c1ccc(=O)[nH]c1C 1P003S5E [0,2,0,0,0,0|1,0,1]=4 2731 B12R1.1703 COC(=O)c1ccc(cc1C)Br 1P003SBE [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.1703 COC(=O)c1ccc(cc1C)C 1P002ODH [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.1703 COC(=O)c1ccc(cc1C)Cl 1P00IKRY [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.1703 COC(=O)c1ccc(cc1C)F 1P002043 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.1703 COC(=O)c1ccc(cc1C)I 1P007H5H [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.1703 COC(=O)c1ccc(cc1C)N 1P00ICE1 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.1703 COC(=O)c1ccc(cc1C)O 1P00IAPT [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.1703 COC(=O)c1ccc(nc1Br)C 1P0089RN [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.1703 COC(=O)c1ccc(nc1Br)Cl 1P0015AU [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.1703 COC(=O)c1ccc(nc1Br)F 1P01BV4T [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.1703 COC(=O)c1ccc(nc1Br)N 1P0203Z6 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.1703 COC(=O)c1ccc(nc1C)Br 1P00A1IO [0,2,0,0,0,0|1,0,0]=3 2743 B12R1.1703 COC(=O)c1ccc(nc1C)C 1P009ELK [0,2,0,0,0,0|1,0,0]=3 2744 B12R1.1703 COC(=O)c1ccc(nc1C)Cl 1P00GAKT [0,2,0,0,0,0|1,0,0]=3 2745 B12R1.1703 COC(=O)c1ccc(nc1C)F 1P000JTT [0,2,0,0,0,0|1,0,0]=3 2746 B12R1.1703 COC(=O)c1ccc(nc1Cl)Br 1P000BBB [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.1703 COC(=O)c1ccc(nc1Cl)C 1P00D9EY [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl 1P0035MB [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.1703 COC(=O)c1ccc(nc1Cl)N 1P0002FB [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.1703 COC(=O)c1ccc(nc1Cl)O 1P00I0L2 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.1703 COC(=O)c1ccc(nc1F)Br 1P01KZB7 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.1703 COC(=O)c1ccc(nc1F)Cl 1P0099SS [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.1703 COC(=O)c1ccc(nc1F)F 1P00781H [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.1703 COC(=O)c1ccc(nc1F)N 1P01XC28 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.1703 COC(=O)c1ccc(nc1N)Br 1P01C6YW [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.1703 COC(=O)c1ccc(nc1N)C 1P01BEIX [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.1703 COC(=O)c1ccc(nc1N)Cl 1P004UYA [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.1703 COC(=O)c1ccc(nc1N)F 1P01V5WF [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.1703 COC(=O)c1ccc(nc1N)O 1P0292XR [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.1703 COC(=O)c1ccc(nc1O)C 1P01FIA6 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.1703 COC(=O)c1cnc(nc1C)N 1P008VNC [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.1703 COC(=O)c1ncc(=O)[nH]c1N 1P00AOFG [0,2,0,0,0,0|1,0,1]=4 2763 B12R1.1703 COC(=O)c1ncc([nH]c1=O)C 1P01BY9Y [0,2,0,0,0,0|1,0,1]=4 2764 B12R1.1703 COC(=O)c1ncc(cc1Br)C 1P000K5L [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.1703 COC(=O)c1ncc(cc1Br)Cl 1P0015DK [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.1703 COC(=O)c1ncc(cc1Br)F 1P0015AG [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.1703 COC(=O)c1ncc(cc1C)Br 1P0038NJ [0,2,0,0,0,0|1,0,0]=3 2768 B12R1.1703 COC(=O)c1ncc(cc1C)F 1P009YU1 [0,2,0,0,0,0|1,0,0]=3 2769 B12R1.1703 COC(=O)c1ncc(cc1C)I 1P028T39 [0,2,0,0,0,0|1,0,0]=3 2770 B12R1.1703 COC(=O)c1ncc(cc1C)N 1P00HRX3 [0,2,0,0,0,0|1,0,0]=3 2771 B12R1.1703 COC(=O)c1ncc(cc1C)O 1P00HGEA [0,2,0,0,0,0|1,0,0]=3 2772 B12R1.1703 COC(=O)c1ncc(cc1Cl)Br 1P0015AL [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.1703 COC(=O)c1ncc(cc1Cl)Cl 1P00IA6J [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.1703 COC(=O)c1ncc(cc1Cl)F 1P0015FX [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.1703 COC(=O)c1ncc(cc1Cl)N 1P000OXL [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.1703 COC(=O)c1ncc(cc1Cl)N 1P01BAQ5 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.1703 COC(=O)c1ncc(cc1Cl)O 1P000OV8 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.1703 COC(=O)c1ncc(cc1F)Br 1P009DBE [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.1703 COC(=O)c1ncc(cc1F)Cl 1P000QN8 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.1703 COC(=O)c1ncc(cc1F)F 1P00IJO3 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.1703 COC(=O)c1ncc(cc1F)N 1P00A0MI [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.1703 COC(=O)c1ncc(cc1F)O 1P000OXZ [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.1703 COC(=O)c1ncc(cc1N)Br 1P008ULL [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.1703 COC(=O)c1ncc(cc1N)C 1P01XAC2 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.1703 COC(=O)c1ncc(cc1N)Cl 1P00IEN1 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.1703 COC(=O)c1ncc(cc1N)F 1P00HB3E [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.1703 COC(=O)c1ncc(cc1N)F 1P02829Z [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.1703 COC(=O)c1ncc(cc1O)Br 1P000M64 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.1703 COC(=O)c1ncc(nc1Br)Br 1P007GTL [0,2,0,0,0,0|1,0,0]=3 2790 B12R1.1703 COC(=O)c1ncc(nc1C)Cl 1P00HRWI [0,2,0,0,0,0|0,0,0]=2 2791 B12R1.1703 COC(=O)c1ncc(nc1Cl)C 1P008GNB [0,2,0,0,0,0|1,0,0]=3 2792 B12R1.1703 COC(=O)c1ncc(nc1Cl)Cl 1P00CJ9A [0,2,0,0,0,0|1,0,0]=3 2793 B12R1.1703 COC(=O)c1ncc(nc1N)C 1P00HCVZ [0,2,0,0,0,0|1,0,0]=3 2794 B12R1.1703 COC(=O)c1ncc(nc1N)Cl 1P002WFH [0,2,0,0,0,0|1,0,0]=3 2795 B12R1.1703 COC(=O)c1nnc(cc1C)Cl 1P027OM7 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.1703 COC(=O)c1nnc(cc1C)O 1P024TRG [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.1703 COC(=O)c1nnc(nc1C)N 1P027WQE [0,2,0,0,0,0|1,0,0]=3 2798 B12R1.1703 ClCC(=O)c1ccc(cc1C)C 1P002SU7 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.1703 ClCC(=O)c1ncc(cc1Br)Cl 1P00A0I9 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.1703 ClCC(=O)c1ncc(cc1F)Cl 1P00A0JD [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.1703 FCC(=O)c1ncc(cc1F)Br 1P028B25 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.354 CCC(=O)c1cc(C)ccc1C 1P00C8M7 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.354 COC(=O)c1cc(Br)cnc1Br 1P00G8Z0 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.354 COC(=O)c1cc(Br)cnc1Cl 1P003SDY [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.354 COC(=O)c1cc(Br)cnc1F 1P00GWEJ [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.354 COC(=O)c1cc(Br)cnc1N 1P003S3K [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.354 COC(=O)c1cc(C)ccc1C 1P0013JF [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.354 COC(=O)c1cc(C)cnc1Br 1P007N5G [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.354 COC(=O)c1cc(C)cnc1Cl 1P00EAGI [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.354 COC(=O)c1cc(C)cnc1F 1P01DO3V [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.354 COC(=O)c1cc(C)cnc1N 1P004ADP [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.354 COC(=O)c1cc(Cl)cnc1Br 1P00158N [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.354 COC(=O)c1cc(Cl)cnc1Cl 1P006KBK [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.354 COC(=O)c1cc(Cl)cnc1N 1P006WMQ [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.354 COC(=O)c1cc(F)cnc1Br 1P009EW6 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.354 COC(=O)c1cc(F)cnc1Cl 1P004YA1 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.354 COC(=O)c1cc(F)cnc1F 1P0015DM [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.354 COC(=O)c1cc(F)cnc1N 1P009X56 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.354 COC(=O)c1cc(I)cnc1Cl 1P0036X9 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.354 COC(=O)c1cc(I)cnc1N 1P000JHE [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.354 COC(=O)c1cc(N)cnc1Br 1P028YVC [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.354 COC(=O)c1cc(N)cnc1Cl 1P00IFQX [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.354 COC(=O)c1cc(N)cnc1O 1P028MHN [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.354 COC(=O)c1cc(O)cnc1Cl 1P000OX4 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.354 COC(=O)c1nc(Br)c[nH]c1=O 1P00BJRW [0,2,0,0,0,0|1,0,1]=4 2826 B12R1.354 COC(=O)c1nc(Br)ccc1Cl 1P00I7EL [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.354 COC(=O)c1nc(Br)ccc1F 1P00159X [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.354 COC(=O)c1nc(Br)ccc1N 1P0036TV [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.354 COC(=O)c1nc(Br)ccc1O 1P00CJ9I [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.354 COC(=O)c1nc(Br)cnc1Br 1P001207 [0,2,0,0,0,0|1,0,0]=3 2831 B12R1.354 COC(=O)c1nc(Br)cnc1Cl 1P000OXY [0,2,0,0,0,0|1,0,0]=3 2832 B12R1.354 COC(=O)c1nc(Br)cnc1N 1P0035N8 [0,2,0,0,0,0|1,0,0]=3 2833 B12R1.354 COC(=O)c1nc(C)ccc1Br 1P01DZ2O [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.354 COC(=O)c1nc(C)ccc1F 1P009EVO [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.354 COC(=O)c1nc(C)ccc1N 1P021T2F [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.354 COC(=O)c1nc(C)ccc1O 1P00EKBF [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.354 COC(=O)c1nc(C)cnc1Br 1P01V38M [0,2,0,0,0,0|1,0,0]=3 2838 B12R1.354 COC(=O)c1nc(C)cnc1C 1P009HRC [0,2,0,0,0,0|0,0,0]=2 2839 B12R1.354 COC(=O)c1nc(C)cnc1N 1P00296L [0,2,0,0,0,0|1,0,0]=3 2840 B12R1.354 COC(=O)c1nc(Cl)ccc1Br 1P00159A [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.354 COC(=O)c1nc(Cl)ccc1Cl 1P0039E4 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.354 COC(=O)c1nc(Cl)ccc1F 1P01K74M [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.354 COC(=O)c1nc(Cl)ccc1N 1P008FQI [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.354 COC(=O)c1nc(Cl)cnc1Br 1P0070TK [0,2,0,0,0,0|1,0,0]=3 2845 B12R1.354 COC(=O)c1nc(Cl)cnc1Cl 1P00CJ9B [0,2,0,0,0,0|1,0,0]=3 2846 B12R1.354 COC(=O)c1nc(Cl)cnc1N 1P001DW7 [0,2,0,0,0,0|1,0,0]=3 2847 B12R1.354 COC(=O)c1nc(F)ccc1Br 1P00HGLC [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.354 COC(=O)c1nc(F)cnc1F 1P00D5QR [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.354 COC(=O)c1nc(I)cnc1N 1P001DW6 [0,2,0,0,0,0|1,0,0]=3 2850 B12R1.354 COC(=O)c1nc(N)ccc1Br 1P0026WQ [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.354 COC(=O)c1nc(N)ccc1Cl 1P000OY6 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.354 Cc1ccc(cc1C(=O)CBr)C 1P008POG [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.354 Cc1ccc(cc1C(=O)CBr)Cl 1P028GZ3 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.354 Cc1ccc(cc1C(=O)CBr)F 1P028ZYU [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.354 Cc1ccc(cc1C(=O)CC)Cl 1P000J4K [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.354 Cc1ccc(cc1C(=O)CCl)C 1P00DD7B [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.354 Cc1ccc(cc1C(=O)CO)C 1P01B9Q9 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.354 Cc1ccc(cc1C(=O)NC)Br 1P01BBNO [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.354 Cc1ccc(cc1C(=O)OC)Br 1P003SE1 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.354 Cc1ccc(cc1C(=O)OC)Cl 1P003N44 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.354 Cc1ccc(cc1C(=O)OC)F 1P0021B4 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.354 Cc1ccc(cc1C(=O)OC)I 1P008UGW [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.354 Cc1ccc(cc1C(=O)OC)N 1P003SDO [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.354 Cc1ccc(cc1C(=O)OC)O 1P005ZPK [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.354 Cc1ccc(nc1C(=O)OC)Br 1P001COO [0,2,0,0,0,0|1,0,0]=3 2866 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl 1P004F59 [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.354 Cc1ccc(nc1C(=O)OC)N 1P01BA6P [0,2,0,0,0,0|1,0,0]=3 2868 B12R1.354 Cc1ncc(cc1C(=O)OC)Br 1P0015TL [0,2,0,0,0,0|1,0,0]=3 2869 B12R1.354 Cc1ncc(cc1C(=O)OC)Cl 1P007GUI [0,2,0,0,0,0|1,0,0]=3 2870 B12R1.354 Cc1ncc(cc1C(=O)OC)F 1P01KL88 [0,2,0,0,0,0|1,0,0]=3 2871 B12R1.354 Cc1ncc(cc1C(=O)OC)N 1P0062E4 [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.354 Cc1ncc(nc1C(=O)OC)Cl 1P000DG5 [0,2,0,0,0,0|0,0,0]=2 2873 B12R1.453 COc1ccc(c(n1)C(=O)O)C 1P01KM41 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.453 COc1cnc(c(c1)C(=O)O)C 1P01JVED [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.453 COc1cnc(c(n1)C(=O)O)N 1P001U8W [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.308 CCNC(=O)c1cccnc1Cl 1P00DD6L [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.308 CCNC(=O)c1cccnc1N 1P018VC7 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.308 CCOC(=O)c1ccccc1C 1P0035BA [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.308 CCOC(=O)c1cccnc1Br 1P00DC70 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.308 CCOC(=O)c1cccnc1Cl 1P0035B7 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.308 CCOC(=O)c1cccnc1F 1P000AHN [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.308 CCOC(=O)c1cccnc1N 1P003QK3 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.308 CCOC(=O)c1cccnc1S 1P019MY2 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.308 CCOC(=O)c1cncnc1C 1P003QS5 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.308 CCOC(=O)c1ncccc1Br 1P00I8SC [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.308 CCOC(=O)c1ncccc1C 1P003QOV [0,2,0,0,0,0|1,0,0]=3 2887 B12R1.308 CCOC(=O)c1ncccc1Cl 1P009DDO [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.308 CCOC(=O)c1ncccc1F 1P008UF6 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.308 CCOC(=O)c1ncccc1N 1P002UFI [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.308 CCOC(=O)c1ncccc1O 1P00FEVV [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.308 CCOC(=O)c1nccnc1Cl 1P006PXP [0,2,0,0,0,0|1,0,0]=3 2892 B12R1.308 CCOC(=O)c1nccnc1N 1P003QNV [0,2,0,0,0,0|1,0,0]=3 2893 B12R1.308 CCOC(=O)c1ncnnc1N 1P028PZF [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.308 Cc1ncccc1C(=O)OCC 1P003QLI [0,2,0,0,0,0|1,0,0]=3 2895 B12R1.308 Cc1nccnc1C(=O)OCC 1P006UJF [0,2,0,0,0,0|0,0,0]=2 2896 B12R1.308 Cc1nnccc1C(=O)OCC 1P00IKMY [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.308 N#CCC(=O)c1ccccc1C 1P007EE7 [0,2,0,0,0,0|2,0,0]=4 2898 B10R1.64 CC(=O)Cn1ccnc1C 1P00J2AC [0,0,1,1,0,0|0,0,2]=4 2899 B10R1.8 O=Cc1cc(C)cc(n1)C 1P01HFRH [0,0,1,1,0,0|2,0,0]=4 2900 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|2,0,0]=4 2901 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [1,0,0,1,0,0|2,0,0]=4 2902 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [1,0,0,1,0,0|2,0,0]=4 2903 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [1,0,0,1,0,0|2,0,0]=4 2904 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [1,0,0,1,0,0|1,0,1]=4 2905 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [1,0,0,1,0,0|1,0,0]=3 2906 B10R2.7 c1cnc2c(n1)[nH]cc2 1P00396J [1,0,0,1,0,0|1,0,1]=4 2907 B10R2.7 c1cnc2c(n1)[nH]nc2 1P007LSE [1,0,0,1,0,0|2,0,0]=4 2908 B10R2.7 c1cnc2c(n1)csc2 1P007M3P [1,0,0,1,0,0|0,1,1]=4 2909 B10R2.7 c1cnc2c(n1)scc2 1P00DIC9 [1,0,0,1,0,0|1,0,1]=4 2910 B10R2.32 C1CC(=O)c2c1[nH]cc2 1P027Q2J [0,0,0,1,1,0|0,0,1]=3 2911 B10R2.32 C1CC(=O)c2c1[nH]nc2 1P003AKE [0,0,0,1,1,0|1,0,1]=4 2912 B10R2.32 C1CC(=O)c2c1[nH]nc2 1P01C5AE [0,0,0,1,1,0|1,0,1]=4 2913 B10R2.32 C1CC(=O)c2c1c[nH]c2 1P005TWG [0,0,0,1,1,0|2,0,0]=4 2914 B10R2.32 C1CC(=O)c2c1scc2 1P00EDFN [0,0,0,1,1,0|1,0,0]=3 2915 B10R2.32 C1NC(=O)c2c1c[nH]n2 1P027OG7 [0,0,0,1,1,0|2,0,0]=4 2916 B10R2.32 C1OC(=O)c2c1c[nH]n2 1P01BIXA [0,0,0,1,1,0|2,0,0]=4 2917 B10R2.32 C1OC(=O)c2c1con2 1P028KQB [0,0,0,1,1,0|2,0,0]=4 2918 B10R2.32 C1OC(=O)c2c1non2 1P01CANJ [0,0,0,1,1,0|2,0,0]=4 2919 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [0,0,0,1,1,0|1,0,0]=3 2920 B10R2.32 O=C1CCn2c1ccc2 1P00AEL2 [0,0,0,1,1,0|2,0,0]=4 2921 B10R2.32 O=C1CCn2c1ncc2 1P009QJN [0,0,0,1,1,0|1,0,0]=3 2922 B10R2.32 O=C1NCc2c1scc2 1P00G7J7 [0,0,0,1,1,0|2,0,0]=4 2923 B12R2.24 C1CC(=O)Nc2c1nccc2 1P00IIJQ [0,0,0,1,0,1|1,0,0]=3 2924 B12R2.24 C1Oc2ncccc2NC1=O 1P0012RC [0,0,0,1,0,1|2,0,0]=4 2925 B12R2.24 Cc1ccc2c(c1)nccn2 1P003NRQ [0,0,0,1,0,1|1,0,1]=4 2926 B12R2.24 Cc1ccc2c(n1)nccn2 1P001OJC [0,0,0,1,0,1|1,0,1]=4 2927 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,0,0,1,0,1|1,0,0]=3 2928 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,0,1|2,0,0]=4 2929 B12R2.24 O=C1CCc2c(N1)nccc2 1P00C0W4 [0,0,0,1,0,1|1,0,0]=3 2930 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,0,0,1,0,1|2,0,0]=4 2931 B12R2.24 O=C1CNc2c(N1)cccn2 1P005RRB [0,0,0,1,0,1|2,0,0]=4 2932 B12R2.24 O=C1CNc2c(N1)nccc2 1P028NIO [0,0,0,1,0,1|2,0,0]=4 2933 B12R2.24 O=C1COc2c(N1)nccc2 1P0029DK [0,0,0,1,0,1|2,0,0]=4 2934 B12R2.24 O=C1CSc2c(N1)nccc2 1P01BJV6 [0,0,0,1,0,1|2,0,0]=4 2935 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,0,0,1,0,1|2,0,0]=4 2936 B12R2.24 O=c1ccc2c([nH]1)nccn2 1P007FGP [0,0,0,1,0,1|0,0,2]=4 2937 B12R2.202 O=C1Cc2c(N1)c(Br)ncc2 1P000I9L [0,0,0,1,0,1|2,0,0]=4 2938 B12R2.202 O=C1Cc2c(N1)c(Cl)ncc2 1P0026FW [0,0,0,1,0,1|2,0,0]=4 2939 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,0,1|2,0,0]=4 2940 B12R2.1081 C=C1CCCc2c1nccc2 1P01EMJL [0,1,0,1,0,0|2,0,0]=4 2941 B12R2.1081 CC1=NCCc2c1cccn2 1P000I20 [0,1,0,1,0,0|2,0,0]=4 2942 B12R2.1081 Cc1cccc2c1nccn2 1P0013AM [0,1,0,1,0,0|1,0,1]=4 2943 B12R2.1081 Cc1ccnc2c1nccn2 1P0007RL [0,1,0,1,0,0|1,0,1]=4 2944 B12R2.1081 NC1CCCc2c1nccn2 1P028KN1 [0,1,0,1,0,0|1,0,1]=4 2945 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [0,1,0,1,0,0|2,0,0]=4 2946 B12R2.1081 O=C1CCCc2c1cccn2 1P00D8W4 [0,1,0,1,0,0|1,0,0]=3 2947 B12R2.1081 O=C1CCCc2c1cccn2 1P00H3KN [0,1,0,1,0,0|1,0,0]=3 2948 B12R2.1081 O=C1CCCc2c1cncn2 1P00BUHZ [0,1,0,1,0,0|2,0,0]=4 2949 B12R2.1081 O=C1CCCc2c1nccc2 1P003NHQ [0,1,0,1,0,0|1,0,0]=3 2950 B12R2.1081 O=C1CCCc2c1nccn2 1P00I7FI [0,1,0,1,0,0|0,0,0]=2 2951 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [0,1,0,1,0,0|2,0,0]=4 2952 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [0,1,0,1,0,0|2,0,0]=4 2953 B12R2.1081 O=C1CCNc2c1cccn2 1P00FCTY [0,1,0,1,0,0|1,0,0]=3 2954 B12R2.1081 O=C1CCNc2c1cccn2 1P01AN4H [0,1,0,1,0,0|1,0,0]=3 2955 B12R2.1081 O=C1CCOc2c1cccc2 1P0034H7 [0,1,0,1,0,0|2,0,0]=4 2956 B12R2.1081 O=C1CCOc2c1cccn2 1P009394 [0,1,0,1,0,0|1,0,0]=3 2957 B12R2.1081 O=C1CCOc2c1nccc2 1P0077EN [0,1,0,1,0,0|1,0,0]=3 2958 B12R2.1081 O=C1CCSc2c1cccc2 1P003V8V [0,1,0,1,0,0|2,0,0]=4 2959 B12R2.1081 O=C1COCc2c1cccc2 1P002KKX [0,1,0,1,0,0|2,0,0]=4 2960 B12R2.1081 O=C1COCc2c1cccn2 1P000OXM [0,1,0,1,0,0|1,0,0]=3 2961 B12R2.1081 O=C1COCc2c1nccc2 1P028MQP [0,1,0,1,0,0|1,0,0]=3 2962 B12R2.1081 O=C1CSCc2c1cccc2 1P003RMB [0,1,0,1,0,0|2,0,0]=4 2963 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [0,1,0,1,0,0|2,0,0]=4 2964 B12R2.1081 O=C1NCCc2c1cccn2 1P001O18 [0,1,0,1,0,0|1,0,0]=3 2965 B12R2.1081 O=C1NCCc2c1nccc2 1P00BIR9 [0,1,0,1,0,0|1,0,0]=3 2966 B12R2.1081 O=C1NCSc2c1cccn2 1P027U7F [0,1,0,1,0,0|2,0,0]=4 2967 B12R2.1081 O=C1OCCc2c1cccc2 1P003IXX [0,1,0,1,0,0|2,0,0]=4 2968 B12R2.1081 O=c1[nH]ccc2c1nccn2 1P006HUF [0,1,0,1,0,0|0,0,2]=4 2969 B12R2.1081 O=c1[nH]cnc2c1nccn2 1P0038XR [0,1,0,1,0,0|1,0,1]=4 2970 B12R2.1081 OC1CCCc2c1nccn2 1P00CKZU [0,1,0,1,0,0|0,0,2]=4 2971 B12R2.2028 CC1OC(=O)c2c1nccc2 1P01C26A [0,1,0,1,0,0|2,0,0]=4 2972 B12R2.2028 Cn1[nH]c(=O)c2c1nccc2 1P002YS9 [0,1,0,1,0,0|2,0,0]=4 2973 B12R2.2028 Cn1cc(c2c1nccn2)I 1P01JVAG [0,1,0,1,0,0|1,0,1]=4 2974 B12R2.2028 O=C1CC(c2c1cccc2)Br 1P003JG9 [0,1,0,1,0,0|2,0,0]=4 2975 B12R2.2028 O=C1CC(c2c1cccc2)C 1P003K5N [0,1,0,1,0,0|2,0,0]=4 2976 B12R2.2028 O=C1CC(c2c1cccc2)N 1P00ADCH [0,1,0,1,0,0|2,0,0]=4 2977 B12R2.2028 O=C1C[C@@H](c2c1cccc2)C 1P01EKBH [0,1,0,1,0,0|2,0,0]=4 2978 B12R2.2028 O=C1C[C@H](c2c1cccc2)C 1P005GL2 [0,1,0,1,0,0|2,0,0]=4 2979 B12R2.2028 O=C1OC(=O)c2c1nccn2 1P007147 [0,1,0,1,0,0|1,0,1]=4 2980 B12R2.203 O=C1CCc2c1c(Br)ccc2 1P000NOQ [0,1,0,1,0,0|2,0,0]=4 2981 B12R2.203 O=C1CCc2c1c(C)ccc2 1P0078K9 [0,1,0,1,0,0|2,0,0]=4 2982 B12R2.203 O=C1CCc2c1c(Cl)ccc2 1P00399P [0,1,0,1,0,0|2,0,0]=4 2983 B12R2.203 O=C1CCc2c1c(F)ccc2 1P003NVW [0,1,0,1,0,0|2,0,0]=4 2984 B12R2.203 O=C1CCc2c1c(I)ccc2 1P019G9U [0,1,0,1,0,0|2,0,0]=4 2985 B12R2.203 O=C1CCc2c1c(N)ccc2 1P00EIV1 [0,1,0,1,0,0|2,0,0]=4 2986 B12R2.203 O=C1CCc2c1c(O)ccc2 1P005JMV [0,1,0,1,0,0|2,0,0]=4 2987 B12R2.203 O=C1NCc2c1c(Br)ccn2 1P01EM3H [0,1,0,1,0,0|2,0,0]=4 2988 B12R2.203 O=C1NCc2c1c(C)ccc2 1P00F86G [0,1,0,1,0,0|2,0,0]=4 2989 B12R2.203 O=C1NCc2c1c(Cl)ccn2 1P01JRUV [0,1,0,1,0,0|2,0,0]=4 2990 B12R2.203 O=C1OCc2c1c(Cl)ncc2 1P01KHMO [0,1,0,1,0,0|2,0,0]=4 2991 B12R2.196 O=C1CCc2c1cccc2Br 1P001NLE [0,1,0,1,0,0|2,0,0]=4 2992 B12R2.196 O=C1CCc2c1cccc2C 1P002PDZ [0,1,0,1,0,0|2,0,0]=4 2993 B12R2.196 O=C1CCc2c1cccc2Cl 1P001NLF [0,1,0,1,0,0|2,0,0]=4 2994 B12R2.196 O=C1CCc2c1cccc2F 1P0034HL [0,1,0,1,0,0|2,0,0]=4 2995 B12R2.196 O=C1CCc2c1cccc2I 1P003FZN [0,1,0,1,0,0|2,0,0]=4 2996 B12R2.196 O=C1CCc2c1cccc2N 1P00AUZ3 [0,1,0,1,0,0|2,0,0]=4 2997 B12R2.196 O=C1CCc2c1cccc2N 1P00D8HO [0,1,0,1,0,0|2,0,0]=4 2998 B12R2.196 O=C1CCc2c1cccc2O 1P0034IZ [0,1,0,1,0,0|2,0,0]=4 2999 B12R2.196 O=C1CCc2c1nccc2Cl 1P00A0MY [0,1,0,1,0,0|1,0,0]=3 3000 B12R2.196 O=C1NCc2c1nccc2C 1P028T7I [0,1,0,1,0,0|2,0,0]=4 3001 B12R2.196 O=C1NCc2c1nccc2Cl 1P021NRG [0,1,0,1,0,0|2,0,0]=4 3002 B12R2.612 Brc1ccc2c(c1)CCC2=O 1P0034OZ [0,1,0,1,0,0|2,0,0]=4 3003 B12R2.612 Brc1ccc2c(n1)CCC2=O 1P01DXUI [0,1,0,1,0,0|1,0,0]=3 3004 B12R2.612 Brc1ccc2c(n1)COC2=O 1P028UDG [0,1,0,1,0,0|2,0,0]=4 3005 B12R2.612 Brc1cnc2c(c1)CCC2=O 1P00HTFR [0,1,0,1,0,0|1,0,0]=3 3006 B12R2.612 Brc1cnc2c(c1)CNC2=O 1P00A1YS [0,1,0,1,0,0|2,0,0]=4 3007 B12R2.612 Brc1cnc2c(c1)OCC2=O 1P01B9LK [0,1,0,1,0,0|2,0,0]=4 3008 B12R2.612 Brc1cnc2c(c1)OCC2=O 1P01BAPP [0,1,0,1,0,0|2,0,0]=4 3009 B12R2.612 Cc1ccc2c(c1)CCC2=O 1P00DEZN [0,1,0,1,0,0|2,0,0]=4 3010 B12R2.612 Clc1ccc2c(c1)CCC2=O 1P0034PD [0,1,0,1,0,0|2,0,0]=4 3011 B12R2.612 Clc1ccc2c(n1)CCC2=O 1P0095P8 [0,1,0,1,0,0|1,0,0]=3 3012 B12R2.612 Clc1ccc2c(n1)CNC2=O 1P000OV6 [0,1,0,1,0,0|2,0,0]=4 3013 B12R2.612 Clc1ccc2c(n1)COC2=O 1P027WEE [0,1,0,1,0,0|2,0,0]=4 3014 B12R2.612 Clc1cnc2c(c1)CCC2=O 1P00HUSQ [0,1,0,1,0,0|1,0,0]=3 3015 B12R2.612 Clc1cnc2c(n1)[nH]cc2C 1P01FLR6 [0,1,0,1,0,0|2,0,0]=4 3016 B12R2.612 Clc1cnc2c(n1)[nH]nc2C 1P01JUU7 [0,1,0,1,0,0|2,0,0]=4 3017 B12R2.612 Clc1cnc2c(n1)onc2C 1P02164V [0,1,0,1,0,0|2,0,0]=4 3018 B12R2.612 Fc1ccc2c(c1)CCC2=O 1P003N7E [0,1,0,1,0,0|2,0,0]=4 3019 B12R2.612 Ic1ccc2c(c1)CCC2=O 1P00DA13 [0,1,0,1,0,0|2,0,0]=4 3020 B12R2.612 Nc1ccc2c(c1)CCC2=O 1P0036CK [0,1,0,1,0,0|2,0,0]=4 3021 B12R2.612 Nc1cnc2c(c1)CNC2=O 1P01EM8I [0,1,0,1,0,0|2,0,0]=4 3022 B12R2.612 Nc1cnc2c(c1)COC2=O 1P02858M [0,1,0,1,0,0|2,0,0]=4 3023 B12R2.612 O=C1CCc2c1ccc(=O)[nH]2 1P01JI0C [0,1,0,1,0,0|1,0,1]=4 3024 B12R2.612 Oc1ccc2c(c1)CCC2=O 1P003N8Y [0,1,0,1,0,0|2,0,0]=4 3025 B12R2.132 Brc1ccc2c(c1)C(=O)CC2 1P001DJO [0,1,0,1,0,0|2,0,0]=4 3026 B12R2.132 Brc1ccc2c(n1)C(=O)CC2 1P01W3HT [0,1,0,1,0,0|1,0,0]=3 3027 B12R2.132 Brc1cnc2c(c1)C(=O)CC2 1P000PSP [0,1,0,1,0,0|1,0,0]=3 3028 B12R2.132 Brc1cnc2c(c1)C(=O)CO2 1P00A63Y [0,1,0,1,0,0|2,0,0]=4 3029 B12R2.132 Brc1cnc2c(c1)C(=O)NC2 1P009I1S [0,1,0,1,0,0|2,0,0]=4 3030 B12R2.132 Brc1cnc2c(n1)c(C)c[nH]2 1P000K1B [0,1,0,1,0,0|2,0,0]=4 3031 B12R2.132 Brc1cnc2c(n1)c(C)n[nH]2 1P0094YB [0,1,0,1,0,0|2,0,0]=4 3032 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 1P002PAD [0,1,0,1,0,0|2,0,0]=4 3033 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 1P001DJP [0,1,0,1,0,0|2,0,0]=4 3034 B12R2.132 Clc1ccc2c(n1)C(=O)CC2 1P000G9Y [0,1,0,1,0,0|1,0,0]=3 3035 B12R2.132 Clc1ccc2c(n1)C(=O)OC2 1P01ELLA [0,1,0,1,0,0|2,0,0]=4 3036 B12R2.132 Clc1cnc2c(c1)C(=O)NC2 1P01FTPG [0,1,0,1,0,0|2,0,0]=4 3037 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 1P001FX5 [0,1,0,1,0,0|2,0,0]=4 3038 B12R2.132 Fc1cnc2c(c1)C(=O)CC2 1P01JUR6 [0,1,0,1,0,0|1,0,0]=3 3039 B12R2.132 Ic1ccc2c(c1)C(=O)CC2 1P001DJN [0,1,0,1,0,0|2,0,0]=4 3040 B12R2.132 Nc1ccc2c(c1)C(=O)CC2 1P005SO1 [0,1,0,1,0,0|2,0,0]=4 3041 B12R2.132 Nc1ccc2c(c1)C(=O)CC2 1P027Y89 [0,1,0,1,0,0|2,0,0]=4 3042 B12R2.132 Oc1ccc2c(c1)C(=O)CC2 1P003NP0 [0,1,0,1,0,0|2,0,0]=4 3043 B12R2.1 O=Cc1c[nH]c2c1nccn2 1P00CJFO [0,1,0,1,0,0|1,0,1]=4 3044 B12R2.1 O=NN1CCc2c1nccc2 1P0290KT [0,1,0,1,0,0|2,0,0]=4 3045 B12R2.1 OCc1c[nH]c2c1nccn2 1P01FSVZ [0,1,0,1,0,0|2,0,0]=4 3046 B12R2.18 O=C1C(Br)Cc2c1cccc2 1P0025TP [0,1,0,1,0,0|2,0,0]=4 3047 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,1,0,1,0,0|2,0,0]=4 3048 B12R2.18 O=C1C(Cl)Cc2c1cccc2 1P00B2LH [0,1,0,1,0,0|2,0,0]=4 3049 B12R2.18 O=C1C(F)Cc2c1cccc2 1P00FGGF [0,1,0,1,0,0|2,0,0]=4 3050 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [0,1,0,1,0,0|2,0,0]=4 3051 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,1,0,1,0,0|2,0,0]=4 3052 B8R1.7 CC(=C)c1ccco1 1P01DDLR [1,0,0,0,1,0|2,0,0]=4 3053 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [1,0,0,0,1,0|1,0,1]=4 3054 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000X4S [1,0,0,0,1,0|1,0,1]=4 3055 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000XD8 [1,0,0,0,1,0|1,0,1]=4 3056 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [1,0,0,0,1,0|0,0,1]=3 3057 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [1,0,0,0,1,0|0,0,1]=3 3058 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [1,0,0,0,1,0|1,0,0]=3 3059 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [1,0,0,0,1,0|1,0,0]=3 3060 B8R1.7 CC(=O)c1c[nH]nn1 1P01C1S8 [1,0,0,0,1,0|1,0,1]=4 3061 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [1,0,0,0,1,0|0,0,1]=3 3062 B8R1.7 CC(=O)c1ccco1 1P000IT2 [1,0,0,0,1,0|1,0,0]=3 3063 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,0,0,0,1,0|1,0,0]=3 3064 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [1,0,0,0,1,0|1,0,0]=3 3065 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [1,0,0,0,1,0|1,0,0]=3 3066 B8R1.7 CC(=O)c1ccno1 1P0049B3 [1,0,0,0,1,0|1,0,0]=3 3067 B8R1.7 CC(=O)c1ccns1 1P00C067 [1,0,0,0,1,0|1,0,0]=3 3068 B8R1.7 CC(=O)c1ccon1 1P00490X [1,0,0,0,1,0|1,0,0]=3 3069 B8R1.7 CC(=O)c1ccsn1 1P00H14V [1,0,0,0,1,0|1,0,0]=3 3070 B8R1.7 CC(=O)c1cnco1 1P009KIG [1,0,0,0,1,0|1,0,0]=3 3071 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,0,0,0,1,0|1,0,0]=3 3072 B8R1.7 CC(=O)c1cnn[nH]1 1P024SAL [1,0,0,0,1,0|1,0,1]=4 3073 B8R1.7 CC(=O)c1cnns1 1P0080BZ [1,0,0,0,1,0|2,0,0]=4 3074 B8R1.7 CC(=O)c1cocc1 1P009E7F [1,0,0,0,1,0|1,0,0]=3 3075 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [1,0,0,0,1,0|1,0,0]=3 3076 B8R1.7 CC(=O)c1cscc1 1P001ETA [1,0,0,0,1,0|1,0,0]=3 3077 B8R1.7 CC(=O)c1cscn1 1P007BLA [1,0,0,0,1,0|1,0,0]=3 3078 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [1,0,0,0,1,0|0,0,1]=3 3079 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [1,0,0,0,1,0|0,0,1]=3 3080 B8R1.7 CC(=O)c1ncco1 1P005DFY [1,0,0,0,1,0|1,0,0]=3 3081 B8R1.7 CC(=O)c1nccs1 1P003D8V [1,0,0,0,1,0|1,0,0]=3 3082 B8R1.7 CC(=O)c1nnc[nH]1 1P00ADE4 [1,0,0,0,1,0|1,0,1]=4 3083 B8R1.7 CC(=O)n1cccn1 1P0006NK [1,0,0,0,1,0|1,0,0]=3 3084 B8R1.7 CC(=O)n1cncc1 1P002PG2 [1,0,0,0,1,0|1,0,0]=3 3085 B8R1.7 CC(=O)n1cncn1 1P001P3G [1,0,0,0,1,0|1,0,0]=3 3086 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [1,0,0,0,1,0|1,0,1]=4 3087 B8R1.7 ClC(=O)c1cccs1 1P003BQI [1,0,0,0,1,0|2,0,0]=4 3088 B8R1.7 ClC(=O)c1ccno1 1P003RMJ [1,0,0,0,1,0|2,0,0]=4 3089 B8R1.7 ClC(=O)c1ccns1 1P0078D4 [1,0,0,0,1,0|2,0,0]=4 3090 B8R1.7 ClC(=O)c1ccon1 1P01IAXG [1,0,0,0,1,0|2,0,0]=4 3091 B8R1.7 ClC(=O)c1cncs1 1P01BDDL [1,0,0,0,1,0|2,0,0]=4 3092 B8R1.7 ClC(=O)c1cocc1 1P002SR8 [1,0,0,0,1,0|2,0,0]=4 3093 B8R1.7 ClC(=O)c1cscc1 1P00IL11 [1,0,0,0,1,0|2,0,0]=4 3094 B8R1.7 ClC(=O)c1cscn1 1P00I7TT [1,0,0,0,1,0|2,0,0]=4 3095 B8R1.7 ClC(=O)n1cccn1 1P00I9ZM [1,0,0,0,1,0|2,0,0]=4 3096 B8R1.7 NC(=O)c1c[nH]cn1 1P00BDOS [1,0,0,0,1,0|1,0,1]=4 3097 B8R1.7 NC(=O)c1c[nH]nc1 1P003MH2 [1,0,0,0,1,0|2,0,0]=4 3098 B8R1.7 NC(=O)c1cc[nH]n1 1P00C7JX [1,0,0,0,1,0|2,0,0]=4 3099 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [1,0,0,0,1,0|1,0,1]=4 3100 B8R1.7 NC(=O)c1ccco1 1P003HT3 [1,0,0,0,1,0|2,0,0]=4 3101 B8R1.7 NC(=O)c1ccno1 1P0043TN [1,0,0,0,1,0|2,0,0]=4 3102 B8R1.7 NC(=O)c1ccon1 1P002XP4 [1,0,0,0,1,0|2,0,0]=4 3103 B8R1.7 NC(=O)c1ccsn1 1P00BVCR [1,0,0,0,1,0|2,0,0]=4 3104 B8R1.7 NC(=O)c1cnco1 1P001QI7 [1,0,0,0,1,0|2,0,0]=4 3105 B8R1.7 NC(=O)c1cncs1 1P008QNN [1,0,0,0,1,0|2,0,0]=4 3106 B8R1.7 NC(=O)c1cocc1 1P00EFS9 [1,0,0,0,1,0|2,0,0]=4 3107 B8R1.7 NC(=O)c1cocn1 1P002MBL [1,0,0,0,1,0|2,0,0]=4 3108 B8R1.7 NC(=O)c1cscc1 1P003V9E [1,0,0,0,1,0|2,0,0]=4 3109 B8R1.7 NC(=O)c1cscn1 1P00C1EW [1,0,0,0,1,0|2,0,0]=4 3110 B8R1.7 NC(=O)c1ncc[nH]1 1P001VZD [1,0,0,0,1,0|1,0,1]=4 3111 B8R1.7 NC(=O)c1ncco1 1P008CTP [1,0,0,0,1,0|2,0,0]=4 3112 B8R1.7 NC(=O)c1nccs1 1P001XS6 [1,0,0,0,1,0|2,0,0]=4 3113 B8R1.7 NC(=O)c1ncn[nH]1 1P003HTF [1,0,0,0,1,0|2,0,0]=4 3114 B8R1.7 OC(=O)c1c[nH]cc1 1P003UJU [1,0,0,0,1,0|1,0,1]=4 3115 B8R1.7 OC(=O)c1c[nH]cn1 1P00338I [1,0,0,0,1,0|1,0,1]=4 3116 B8R1.7 OC(=O)c1c[nH]nc1 1P0034LR [1,0,0,0,1,0|2,0,0]=4 3117 B8R1.7 OC(=O)c1cc[nH]n1 1P001T7R [1,0,0,0,1,0|2,0,0]=4 3118 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [1,0,0,0,1,0|1,0,1]=4 3119 B8R1.7 OC(=O)c1cccs1 1P003IEW [1,0,0,0,1,0|2,0,0]=4 3120 B8R1.7 OC(=O)c1ccn[nH]1 1P008M23 [1,0,0,0,1,0|2,0,0]=4 3121 B8R1.7 OC(=O)c1ccno1 1P003RMK [1,0,0,0,1,0|2,0,0]=4 3122 B8R1.7 OC(=O)c1ccns1 1P0008NL [1,0,0,0,1,0|2,0,0]=4 3123 B8R1.7 OC(=O)c1ccon1 1P0038IR [1,0,0,0,1,0|2,0,0]=4 3124 B8R1.7 OC(=O)c1ccsn1 1P006Z9D [1,0,0,0,1,0|2,0,0]=4 3125 B8R1.7 OC(=O)c1cnco1 1P0038RZ [1,0,0,0,1,0|2,0,0]=4 3126 B8R1.7 OC(=O)c1cncs1 1P001L77 [1,0,0,0,1,0|2,0,0]=4 3127 B8R1.7 OC(=O)c1cnon1 1P004BG6 [1,0,0,0,1,0|2,0,0]=4 3128 B8R1.7 OC(=O)c1cnsn1 1P0038LO [1,0,0,0,1,0|2,0,0]=4 3129 B8R1.7 OC(=O)c1cocc1 1P00346H [1,0,0,0,1,0|2,0,0]=4 3130 B8R1.7 OC(=O)c1cocn1 1P002MBN [1,0,0,0,1,0|2,0,0]=4 3131 B8R1.7 OC(=O)c1conc1 1P00EAGN [1,0,0,0,1,0|2,0,0]=4 3132 B8R1.7 OC(=O)c1cscc1 1P00348Y [1,0,0,0,1,0|2,0,0]=4 3133 B8R1.7 OC(=O)c1cscn1 1P003MJ5 [1,0,0,0,1,0|2,0,0]=4 3134 B8R1.7 OC(=O)c1csnc1 1P0050GK [1,0,0,0,1,0|2,0,0]=4 3135 B8R1.7 OC(=O)c1n[nH]cn1 1P0036FG [1,0,0,0,1,0|2,0,0]=4 3136 B8R1.7 OC(=O)c1ncc[nH]1 1P00338H [1,0,0,0,1,0|1,0,1]=4 3137 B8R1.7 OC(=O)c1ncco1 1P0035WL [1,0,0,0,1,0|2,0,0]=4 3138 B8R1.7 OC(=O)c1ncco1 1P028A5I [1,0,0,0,1,0|2,0,0]=4 3139 B8R1.7 OC(=O)c1nccs1 1P001HT7 [1,0,0,0,1,0|2,0,0]=4 3140 B8R1.7 OC(=O)c1ncns1 1P00IMRS [1,0,0,0,1,0|2,0,0]=4 3141 B8R1.7 OC(=O)c1nocn1 1P00330S [1,0,0,0,1,0|2,0,0]=4 3142 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [1,0,0,0,1,0|2,0,0]=4 3143 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [1,0,0,0,1,0|2,0,0]=4 3144 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [1,0,0,0,1,0|2,0,0]=4 3145 B8R1.7 [O-]C(=O)c1cncs1 1P01A8FB [1,0,0,0,1,0|2,0,0]=4 3146 B8R1.7 [O-]C(=O)c1cscn1 1P01A81R [1,0,0,0,1,0|2,0,0]=4 3147 B8R1.7 [O-]C(=O)c1ncco1 1P000O8D [1,0,0,0,1,0|2,0,0]=4 3148 B8R1.7 [O-]C(=O)c1nscn1 1P0280RZ [1,0,0,0,1,0|2,0,0]=4 3149 B8R1.11 Brc1c(C=O)cc[nH]1 1P0293SK [1,0,0,0,1,0|1,0,1]=4 3150 B8R1.11 Brc1c(C=O)nc[nH]1 1P00DJZ5 [1,0,0,0,1,0|1,0,1]=4 3151 B8R1.11 Brc1c[nH]nc1C=O 1P002WXP [1,0,0,0,1,0|2,0,0]=4 3152 B8R1.11 Brc1conc1C=O 1P0280OM [1,0,0,0,1,0|2,0,0]=4 3153 B8R1.11 Brc1ncsc1C=O 1P000MKC [1,0,0,0,1,0|2,0,0]=4 3154 B8R1.11 Brc1occc1C=O 1P007P64 [1,0,0,0,1,0|2,0,0]=4 3155 B8R1.11 Brc1sccc1C=O 1P0038OD [1,0,0,0,1,0|2,0,0]=4 3156 B8R1.11 Brc1scnc1C=O 1P00LXUD [1,0,0,0,1,0|2,0,0]=4 3157 B8R1.11 CCc1c[nH]nc1C 1P01UOKS [1,0,0,0,1,0|1,0,1]=4 3158 B8R1.11 CCc1scnc1C 1P00C09C [1,0,0,0,1,0|1,0,1]=4 3159 B8R1.11 CCn1ccnc1C 1P007P91 [1,0,0,0,1,0|1,0,1]=4 3160 B8R1.11 CCn1nccc1C 1P00JCO2 [1,0,0,0,1,0|1,0,1]=4 3161 B8R1.11 CNc1ccnn1C 1P01AKMK [1,0,0,0,1,0|2,0,0]=4 3162 B8R1.11 CNc1ccnn1C 1P01AKML [1,0,0,0,1,0|2,0,0]=4 3163 B8R1.11 CNc1csnc1C 1P01FK14 [1,0,0,0,1,0|2,0,0]=4 3164 B8R1.11 CNc1nocc1C 1P028YWG [1,0,0,0,1,0|2,0,0]=4 3165 B8R1.11 CNc1nonc1C 1P027VVI [1,0,0,0,1,0|2,0,0]=4 3166 B8R1.11 COc1ccnn1C 1P00HUAZ [1,0,0,0,1,0|2,0,0]=4 3167 B8R1.11 COc1n[nH]cc1C 1P01EJ5X [1,0,0,0,1,0|2,0,0]=4 3168 B8R1.11 CSc1ccoc1C 1P003I2Z [1,0,0,0,1,0|2,0,0]=4 3169 B8R1.11 CSc1nccn1C 1P001KPA [1,0,0,0,1,0|2,0,0]=4 3170 B8R1.11 Cc1c(C=O)nc[nH]1 1P003NBH [1,0,0,0,1,0|0,0,1]=3 3171 B8R1.11 Cc1c[nH]nc1C=O 1P01B8B4 [1,0,0,0,1,0|1,0,0]=3 3172 B8R1.11 Cc1cnoc1C=O 1P028SY7 [1,0,0,0,1,0|2,0,0]=4 3173 B8R1.11 Cc1cnsc1C=O 1P00490Z [1,0,0,0,1,0|2,0,0]=4 3174 B8R1.11 Cc1cocc1C=O 1P0289XQ [1,0,0,0,1,0|2,0,0]=4 3175 B8R1.11 Cc1conc1C=O 1P00HBLY [1,0,0,0,1,0|1,0,0]=3 3176 B8R1.11 Cc1cscc1C=O 1P00G8DI [1,0,0,0,1,0|2,0,0]=4 3177 B8R1.11 Cc1csnc1C=O 1P01DVF3 [1,0,0,0,1,0|1,0,0]=3 3178 B8R1.11 Cc1n[nH]cc1C=O 1P003K5C [1,0,0,0,1,0|1,0,0]=3 3179 B8R1.11 Cc1nccn1C=C 1P002W1R [1,0,0,0,1,0|1,0,1]=4 3180 B8R1.11 Cc1ncoc1C=O 1P001QVV [1,0,0,0,1,0|1,0,0]=3 3181 B8R1.11 Cc1ncsc1C=C 1P0021R5 [1,0,0,0,1,0|1,0,1]=4 3182 B8R1.11 Cc1ncsc1C=O 1P003M9J [1,0,0,0,1,0|1,0,0]=3 3183 B8R1.11 Cc1nonc1C=O 1P00IGMN [1,0,0,0,1,0|1,0,0]=3 3184 B8R1.11 Cc1nscc1C=O 1P01DZBM [1,0,0,0,1,0|1,0,0]=3 3185 B8R1.11 Cc1occc1C=O 1P00DBXY [1,0,0,0,1,0|1,0,0]=3 3186 B8R1.11 Cc1ocnc1C=O 1P00MDY4 [1,0,0,0,1,0|1,0,0]=3 3187 B8R1.11 Cc1oncc1C=O 1P028ZLY [1,0,0,0,1,0|2,0,0]=4 3188 B8R1.11 Cc1sccc1C=O 1P004NVR [1,0,0,0,1,0|1,0,0]=3 3189 B8R1.11 Cc1scnc1C=O 1P002SGK [1,0,0,0,1,0|1,0,0]=3 3190 B8R1.11 Cc1sncc1C=O 1P01EMPQ [1,0,0,0,1,0|2,0,0]=4 3191 B8R1.11 Clc1c[nH]nc1C=O 1P00EEEH [1,0,0,0,1,0|2,0,0]=4 3192 B8R1.11 Clc1ncsc1C=O 1P007WV6 [1,0,0,0,1,0|2,0,0]=4 3193 B8R1.11 Clc1sccc1C=O 1P009WTJ [1,0,0,0,1,0|2,0,0]=4 3194 B8R1.11 Cn1nccc1C=O 1P0038KU [1,0,0,0,1,0|1,0,0]=3 3195 B8R1.11 Ic1sccc1C=O 1P002H71 [1,0,0,0,1,0|2,0,0]=4 3196 B8R1.11 O=CC1=NSC=C1Br 1P01K6BV [1,0,0,0,1,0|2,0,0]=4 3197 B8R1.11 O=Cc1[nH]ccc1Br 1P00CRE5 [1,0,0,0,1,0|1,0,1]=4 3198 B8R1.11 O=Cc1[nH]ccc1C 1P007OR5 [1,0,0,0,1,0|0,0,1]=3 3199 B8R1.11 O=Cc1cccn1C 1P000IT4 [1,0,0,0,1,0|2,0,0]=4 3200 B8R1.11 O=Cc1cnnn1C 1P002910 [1,0,0,0,1,0|2,0,0]=4 3201 B8R1.11 O=Cc1nccn1C 1P0013VA [1,0,0,0,1,0|1,0,0]=3 3202 B8R1.11 O=Cc1occc1Br 1P006VJD [1,0,0,0,1,0|2,0,0]=4 3203 B8R1.11 O=Cc1occc1F 1P01DTUB [1,0,0,0,1,0|2,0,0]=4 3204 B8R1.11 O=Cc1sccc1Br 1P003JM1 [1,0,0,0,1,0|2,0,0]=4 3205 B8R1.11 O=Cc1sccc1C 1P00347R [1,0,0,0,1,0|1,0,0]=3 3206 B8R1.11 O=Cc1sccc1Cl 1P0061KR [1,0,0,0,1,0|2,0,0]=4 3207 B8R1.11 O=Cc1sccc1I 1P01H392 [1,0,0,0,1,0|2,0,0]=4 3208 B8R1.11 O=Cc1sccc1N 1P00EIWP [1,0,0,0,1,0|2,0,0]=4 3209 B8R1.11 O=Cc1snnc1C 1P000X5J [1,0,0,0,1,0|2,0,0]=4 3210 B12R1.125 Cc1ncccc1C=CC(=O)O 1P01AV9J [0,0,0,0,0,2|2,0,0]=4 3211 B12R1.125 Cc1ncccc1CCC(=O)O 1P00ICJI [0,0,0,0,0,2|2,0,0]=4 3212 B12R1.125 Cc1ncccc1CCC(=O)O 1P0281ED [0,0,0,0,0,2|2,0,0]=4 3213 B12R1.125 OC(=O)C=Cc1ncccc1C 1P01A6KK [0,0,0,0,0,2|2,0,0]=4 3214 B12R1.125 OC(=O)C=Cc1ncccc1C 1P01AC40 [0,0,0,0,0,2|2,0,0]=4 3215 B12R1.125 OC(=O)CCc1ncccc1C 1P00ICJG [0,0,0,0,0,2|2,0,0]=4