0 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 CC(=O)C=CSc1ccccc1 1P006LAB [0,0,0,0,0,0|2,0,2]=4 5 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,0|2,0,0]=2 10 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [0,0,0,0,0,0|3,0,0]=3 11 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,0,0,0,0,0|2,0,0]=2 12 B12R1.252 CC(CCCc1cccnc1)N 1P01C2VH [0,0,0,0,0,0|3,0,1]=4 13 B12R1.252 CC(CCCc1cccnc1)O 1P00993S [0,0,0,0,0,0|2,0,1]=3 14 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [0,0,0,0,0,0|3,0,1]=4 15 B12R1.252 CC(CCCc1ccncc1)O 1P01FFWJ [0,0,0,0,0,0|2,0,1]=3 16 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [0,0,0,0,0,0|3,0,1]=4 17 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [0,0,0,0,0,0|3,0,1]=4 18 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [0,0,0,0,0,0|3,0,1]=4 19 B12R1.252 CC(CCSc1ccccc1)Br 1P019TVW [0,0,0,0,0,0|3,0,1]=4 20 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [0,0,0,0,0,0|3,0,1]=4 21 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [0,0,0,0,0,0|3,0,1]=4 22 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [0,0,0,0,0,0|2,0,1]=3 23 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [0,0,0,0,0,0|3,0,1]=4 24 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [0,0,0,0,0,0|3,0,1]=4 25 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,0,0,0,0,0|2,0,1]=3 26 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [0,0,0,0,0,0|3,0,1]=4 27 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [0,0,0,0,0,0|3,0,1]=4 28 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [0,0,0,0,0,0|3,0,1]=4 29 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [0,0,0,0,0,0|3,0,0]=3 30 B12R1.252 CN(CCNc1ccccc1)C 1P00FVF1 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [0,0,0,0,0,0|3,0,1]=4 34 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,0,0,0,0,0|2,0,1]=3 35 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.252 C[C@H](CNCc1ccncc1)O 1P028A6Y [0,0,0,0,0,0|3,0,1]=4 37 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,0,0,0,0,0|2,0,1]=3 39 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [0,0,0,0,0,0|1,0,0]=1 40 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [0,0,0,0,0,0|2,0,0]=2 41 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [0,0,0,0,0,0|2,0,0]=2 42 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [0,0,0,0,0,0|2,0,0]=2 43 B12R1.252 Cl[SiH](CCCc1ccccc1)Cl 1P008NVF [0,0,0,0,0,0|2,1,0]=3 44 B12R1.252 FC(=COCc1ccccc1)F 1P028VSQ [0,0,0,0,0,0|3,0,1]=4 45 B12R1.252 FC(CNCc1ccccc1)F 1P00JGHM [0,0,0,0,0,0|3,0,1]=4 46 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,0,0,0,0,0|2,0,0]=2 47 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,0|3,0,0]=3 48 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,0,0,0,0,0|3,0,0]=3 49 B12R1.252 NC(=N)NCCc1cccnc1 1P01EI94 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,0|2,0,0]=2 51 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,0|2,0,0]=2 52 B12R1.252 NC(=O)CNCc1cccnc1 1P019VMJ [0,0,0,0,0,0|3,0,0]=3 53 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,0|2,0,0]=2 54 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,0|2,0,0]=2 55 B12R1.252 NC(=O)NCCc1ccccn1 1P01A9JG [0,0,0,0,0,0|3,0,0]=3 56 B12R1.252 NC(=O)NCCc1cccnc1 1P01AHPB [0,0,0,0,0,0|3,0,0]=3 57 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,0|3,0,0]=3 58 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,0,0,0,0,0|1,1,0]=2 59 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,0|2,1,0]=3 60 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,0,0,0,0,0|2,1,0]=3 61 B12R1.252 NC(=S)NCCc1ccccn1 1P0022GD [0,0,0,0,0,0|3,1,0]=4 62 B12R1.252 OB(C=CCc1ccccc1)O 1P007O1D [0,0,0,0,0,0|1,0,3]=4 63 B12R1.252 OC(=O)C=CSc1ccccc1 1P005I79 [0,0,0,0,0,0|1,0,2]=3 64 B12R1.252 OC(=O)CC#Cc1ccccc1 1P01A0H8 [0,0,0,0,0,0|0,0,2]=2 65 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [0,0,0,0,0,0|0,0,2]=2 66 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [0,0,0,0,0,0|0,0,0]=0 67 B12R1.252 OC(=O)CCCc1ccccn1 1P0034AM [0,0,0,0,0,0|1,0,0]=1 68 B12R1.252 OC(=O)CCCc1ccccn1 1P01ABGB [0,0,0,0,0,0|1,0,0]=1 69 B12R1.252 OC(=O)CCCc1cccnc1 1P01BF81 [0,0,0,0,0,0|1,0,0]=1 70 B12R1.252 OC(=O)CCCc1cccnc1 1P01BFAM [0,0,0,0,0,0|1,0,0]=1 71 B12R1.252 OC(=O)CCCc1ccncc1 1P005FSI [0,0,0,0,0,0|1,0,0]=1 72 B12R1.252 OC(=O)CCCc1ccncc1 1P008SS0 [0,0,0,0,0,0|1,0,0]=1 73 B12R1.252 OC(=O)CCCc1cnccn1 1P0288XZ [0,0,0,0,0,0|2,0,0]=2 74 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [0,0,0,0,0,0|1,0,0]=1 75 B12R1.252 OC(=O)CCNc1ccccn1 1P008UIH [0,0,0,0,0,0|2,0,0]=2 76 B12R1.252 OC(=O)CCNc1ccccn1 1P019VN6 [0,0,0,0,0,0|2,0,0]=2 77 B12R1.252 OC(=O)CCNc1ccncc1 1P01FIW6 [0,0,0,0,0,0|2,0,0]=2 78 B12R1.252 OC(=O)CCNc1cncnc1 1P028PNO [0,0,0,0,0,0|3,0,0]=3 79 B12R1.252 OC(=O)CCNc1ncccn1 1P00COZ9 [0,0,0,0,0,0|3,0,0]=3 80 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [0,0,0,0,0,0|1,0,0]=1 81 B12R1.252 OC(=O)CCOc1cccnc1 1P01A94G [0,0,0,0,0,0|2,0,0]=2 82 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [0,0,0,0,0,0|1,0,0]=1 83 B12R1.252 OC(=O)CCSc1ccccn1 1P00D0ZH [0,0,0,0,0,0|2,0,0]=2 84 B12R1.252 OC(=O)CCSc1ncccn1 1P019VQZ [0,0,0,0,0,0|3,0,0]=3 85 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [0,0,0,0,0,0|1,0,0]=1 86 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [0,0,0,0,0,0|1,0,0]=1 87 B12R1.252 OC(=O)CNCc1ccccn1 1P01A8ES [0,0,0,0,0,0|2,0,0]=2 88 B12R1.252 OC(=O)CNCc1cccnc1 1P019N25 [0,0,0,0,0,0|2,0,0]=2 89 B12R1.252 OC(=O)CNCc1ccncc1 1P01BDO4 [0,0,0,0,0,0|2,0,0]=2 90 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [0,0,0,0,0,0|1,0,0]=1 91 B12R1.252 OC(=O)COCc1ccccn1 1P01BBSG [0,0,0,0,0,0|2,0,0]=2 92 B12R1.252 OC(=O)COCc1cccnc1 1P01BBMF [0,0,0,0,0,0|2,0,0]=2 93 B12R1.252 OC(=O)COCc1ccncc1 1P000DSM [0,0,0,0,0,0|2,0,0]=2 94 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [0,0,0,0,0,0|1,0,0]=1 95 B12R1.252 OC(=O)CSCc1ccccn1 1P00BFT6 [0,0,0,0,0,0|2,0,0]=2 96 B12R1.252 OC(=O)CSCc1cccnc1 1P00GUVU [0,0,0,0,0,0|2,0,0]=2 97 B12R1.252 OC(=O)CSCc1ccncc1 1P00DBSP [0,0,0,0,0,0|2,0,0]=2 98 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [0,0,0,0,0,0|0,0,2]=2 99 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [0,0,0,0,0,0|0,0,1]=1 100 B11R1.28 BrCCCCc1ccccc1 1P001243 [1,0,0,0,0,0|1,0,1]=3 101 B11R1.28 BrCCCOc1ccccc1 1P003KBT [1,0,0,0,0,0|2,0,1]=4 102 B11R1.28 BrCCOCc1ccccc1 1P001E9R [1,0,0,0,0,0|2,0,1]=4 103 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [1,0,0,0,0,0|2,0,1]=4 104 B11R1.28 C#CCCOc1ccccc1 1P001P0F [1,0,0,0,0,0|2,0,1]=4 105 B11R1.28 C#CCNCc1ccccc1 1P000PYH [1,0,0,0,0,0|2,0,1]=4 106 B11R1.28 C#CCNCc1ccccc1 1P00J1E3 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.28 C=CCNCc1ccccc1 1P002O21 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.28 C=CCNCc1ccccc1 1P003T6B [1,0,0,0,0,0|2,0,0]=3 110 B11R1.28 C=CCNCc1ccccn1 1P00ECLP [1,0,0,0,0,0|3,0,0]=4 111 B11R1.28 C=CCNCc1cccnc1 1P008EPP [1,0,0,0,0,0|3,0,0]=4 112 B11R1.28 C=CCNCc1ccncc1 1P00DD71 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.28 C=CCOCc1ccccc1 1P001DZF [1,0,0,0,0,0|2,0,0]=3 114 B11R1.28 CCCCCc1ccccc1 1P003F3E [1,0,0,0,0,0|1,0,1]=3 115 B11R1.28 CCCCCc1ccccn1 1P002M24 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.28 CCCCCc1cccnc1 1P00228X [1,0,0,0,0,0|2,0,1]=4 117 B11R1.28 CCCCCc1ccncc1 1P002ZCV [1,0,0,0,0,0|2,0,1]=4 118 B11R1.28 CCCCNc1ccccc1 1P0035TY [1,0,0,0,0,0|2,0,1]=4 119 B11R1.28 CCCCOc1ccccc1 1P003P21 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.28 CCCCSc1ccccc1 1P0079TG [1,0,0,0,0,0|2,0,1]=4 121 B11R1.28 CCCNCc1ccccc1 1P00296T [1,0,0,0,0,0|2,0,1]=4 122 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.28 CCNCCc1ccccc1 1P019M64 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.28 CCOCCc1ccccc1 1P00AP6J [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 CNCCCc1ccccc1 1P002O7F [1,0,0,0,0,0|2,0,0]=3 126 B11R1.28 CNCCCc1ccccn1 1P001OQK [1,0,0,0,0,0|3,0,0]=4 127 B11R1.28 CNCCOc1ccccc1 1P003TN4 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.28 COCCNc1ccccc1 1P01C1WU [1,0,0,0,0,0|3,0,0]=4 129 B11R1.28 COCCOc1ccccc1 1P00D7EK [1,0,0,0,0,0|3,0,0]=4 130 B11R1.28 COCCSc1ccccc1 1P003I0V [1,0,0,0,0,0|3,0,0]=4 131 B11R1.28 ClCCCCc1ccccc1 1P003EOX [1,0,0,0,0,0|1,0,1]=3 132 B11R1.28 ClCCCCc1ccncc1 1P001M6V [1,0,0,0,0,0|2,0,1]=4 133 B11R1.28 ClCCCCc1ccncc1 1P003KJL [1,0,0,0,0,0|2,0,1]=4 134 B11R1.28 ClCCCOc1ccccc1 1P00CO1R [1,0,0,0,0,0|2,0,1]=4 135 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [1,0,0,0,0,0|2,0,1]=4 136 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [1,0,0,0,0,0|2,0,1]=4 138 B11R1.28 FCCNCc1ccccc1 1P027TSS [1,0,0,0,0,0|2,0,1]=4 139 B11R1.28 ICCCCc1ccccc1 1P01J3BS [1,0,0,0,0,0|1,0,1]=3 140 B11R1.28 ICCOCc1ccccc1 1P003EH4 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.28 N#CCCCc1ccccc1 1P002A2B [1,0,0,0,0,0|1,0,1]=3 142 B11R1.28 N#CCCNc1ccccc1 1P0038H2 [1,0,0,0,0,0|2,0,1]=4 143 B11R1.28 N#CCCOc1ccccc1 1P0030ZW [1,0,0,0,0,0|2,0,1]=4 144 B11R1.28 N#CCNCc1ccccc1 1P00BJRT [1,0,0,0,0,0|2,0,1]=4 145 B11R1.28 N#CCOCc1ccccc1 1P0080MM [1,0,0,0,0,0|2,0,1]=4 146 B11R1.28 N#CCSCc1ccccc1 1P001ZN8 [1,0,0,0,0,0|2,0,1]=4 147 B11R1.28 NCCCCc1ccccc1 1P0010R7 [1,0,0,0,0,0|1,0,1]=3 148 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [1,0,0,0,0,0|1,0,1]=3 149 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [1,0,0,0,0,0|2,0,1]=4 150 B11R1.28 NCCCCc1cccnc1 1P00G66Q [1,0,0,0,0,0|2,0,1]=4 151 B11R1.28 NCCCCc1ccncc1 1P0286VO [1,0,0,0,0,0|2,0,1]=4 152 B11R1.28 NCCCNc1ccccc1 1P00DLVB [1,0,0,0,0,0|2,0,1]=4 153 B11R1.28 NCCCOc1ccccc1 1P008OQY [1,0,0,0,0,0|2,0,1]=4 154 B11R1.28 NCCCOc1ccccc1 1P00G5UX [1,0,0,0,0,0|2,0,1]=4 155 B11R1.28 NCCCSc1ccccc1 1P002DXM [1,0,0,0,0,0|2,0,1]=4 156 B11R1.28 NCCCSc1ccccc1 1P00G4KQ [1,0,0,0,0,0|2,0,1]=4 157 B11R1.28 NCCNCc1ccccc1 1P003T8D [1,0,0,0,0,0|2,0,1]=4 158 B11R1.28 NCCOCc1ccccc1 1P00381B [1,0,0,0,0,0|2,0,1]=4 159 B11R1.28 NCCOCc1ccccc1 1P003H25 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.28 NCCSCc1ccccc1 1P003UO3 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.28 NCCSCc1ccccc1 1P008VQA [1,0,0,0,0,0|2,0,1]=4 162 B11R1.28 NNCCCc1ccccc1 1P01ABBG [1,0,0,0,0,0|2,0,0]=3 163 B11R1.28 NNCCOc1ccccc1 1P00D6O2 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.28 NOCCOc1ccccc1 1P00FWZA [1,0,0,0,0,0|3,0,0]=4 165 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [1,0,0,0,0,0|1,0,1]=3 166 B11R1.28 O=C=NCOc1ccccc1 1P01A1XZ [1,0,0,0,0,0|2,0,1]=4 167 B11R1.28 O=C=NCSc1ccccc1 1P0285G3 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.28 O=CCCCc1ccccc1 1P0027XM [1,0,0,0,0,0|0,0,0]=1 169 B11R1.28 O=CCCCc1cccnc1 1P001DYB [1,0,0,0,0,0|1,0,0]=2 170 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [1,0,0,0,0,0|1,0,0]=2 171 B11R1.28 O=CCOCc1ccccc1 1P0036FA [1,0,0,0,0,0|1,0,0]=2 172 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [1,0,0,0,0,0|1,0,0]=2 173 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.28 O=COCCc1ccccc1 1P003U4Q [1,0,0,0,0,0|1,0,0]=2 175 B11R1.28 OCCC#Cc1ccccc1 1P0007L8 [1,0,0,0,0,0|0,0,3]=4 176 B11R1.28 OCCCCc1ccccc1 1P0034LL [1,0,0,0,0,0|0,0,1]=2 177 B11R1.28 OCCCCc1ccccn1 1P0027H1 [1,0,0,0,0,0|1,0,1]=3 178 B11R1.28 OCCCCc1cccnc1 1P003KI6 [1,0,0,0,0,0|1,0,1]=3 179 B11R1.28 OCCCCc1ccncc1 1P00349S [1,0,0,0,0,0|1,0,1]=3 180 B11R1.28 OCCCNc1ccccn1 1P002F72 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.28 OCCCNc1ccncc1 1P01AB9S [1,0,0,0,0,0|2,0,1]=4 182 B11R1.28 OCCCNc1ccncc1 1P028CNK [1,0,0,0,0,0|2,0,1]=4 183 B11R1.28 OCCCOc1ccccc1 1P00IBDS [1,0,0,0,0,0|1,0,1]=3 184 B11R1.28 OCCCOc1ccncc1 1P00BBQ7 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.28 OCCCSc1ccccc1 1P00BKA5 [1,0,0,0,0,0|1,0,1]=3 186 B11R1.28 OCCCSc1ccccn1 1P01BSED [1,0,0,0,0,0|2,0,1]=4 187 B11R1.28 OCCNCc1ccccc1 1P0035SZ [1,0,0,0,0,0|1,0,1]=3 188 B11R1.28 OCCNCc1cccnc1 1P00FBHE [1,0,0,0,0,0|2,0,1]=4 189 B11R1.28 OCCOCc1ccccc1 1P003A8A [1,0,0,0,0,0|1,0,1]=3 190 B11R1.28 OCCOCc1ccccc1 1P01GJYO [1,0,0,0,0,0|1,0,1]=3 191 B11R1.28 OCCSCc1ccccc1 1P00BY6S [1,0,0,0,0,0|1,0,1]=3 192 B11R1.28 OCCSCc1ccccn1 1P01B705 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [1,0,0,0,0,0|1,1,1]=4 194 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [1,0,0,0,0,0|0,1,1]=3 195 B11R1.28 SCCCOc1ccccc1 1P01A89E [1,0,0,0,0,0|1,1,1]=4 196 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [1,0,0,0,0,0|3,0,0]=4 197 B13R1.45 CC(c1ccccc1)CCC(=O)O 1P01A0ZE [0,1,0,0,0,0|0,0,0]=1 198 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P00CZWC [0,1,0,0,0,0|1,0,0]=2 199 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P01AGZW [0,1,0,0,0,0|1,0,0]=2 200 B13R1.45 CN(c1ccncc1)CCC(=O)O 1P01A5SW [0,1,0,0,0,0|2,0,0]=3 201 B13R1.45 C[C@@H](c1ccccc1)NCC(=O)O 1P003CZ3 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.45 C[C@@H](c1ccccc1)OCC(=O)O 1P01WZUR [0,1,0,0,0,0|1,0,0]=2 203 B13R1.45 C[C@H](c1ccccc1)NCC(=O)N 1P01A02F [0,1,0,0,0,0|2,0,0]=3 204 B13R1.45 C[C@H](c1ccccc1)NCC(=O)O 1P003CNB [0,1,0,0,0,0|1,0,0]=2 205 B13R1.45 ClC(c1ccccc1)CCN(C)C 1P000488 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P000487 [0,1,0,0,0,0|0,0,0]=1 207 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P0017ZI [0,1,0,0,0,0|0,0,0]=1 208 B13R1.45 NC(c1ccccc1)CCN(C)C 1P00J1V9 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.45 N[C@@H](c1ccccc1)CCC(=O)O 1P0003ZN [0,1,0,0,0,0|0,0,0]=1 210 B13R1.45 N[C@H](c1ccccc1)CCC(=O)O 1P00EKFM [0,1,0,0,0,0|0,0,0]=1 211 B13R1.45 O=C(c1ccccc1)C=CC(=O)O 1P00E9PD [0,1,0,0,0,0|0,0,3]=4 212 B13R1.45 O=C(c1ccccc1)CCC(=O)O 1P002ABE [0,1,0,0,0,0|0,0,1]=2 213 B13R1.45 O=C(c1ccccc1)COC(=O)C 1P003U4G [0,1,0,0,0,0|2,0,1]=4 214 B13R1.45 O=C(c1ccccc1)NCC(=O)O 1P003REE [0,1,0,0,0,0|1,0,1]=3 215 B13R1.45 O=C(c1ccccc1)NCC(=O)O 1P00E9YU [0,1,0,0,0,0|1,0,1]=3 216 B13R1.45 O=C(c1ccccc1)NCC(=O)[O-] 1P00C3XG [0,1,0,0,0,0|1,0,2]=4 217 B13R1.45 O=C(c1ccccc1)NCC(=O)[O-] 1P00DF74 [0,1,0,0,0,0|1,0,2]=4 218 B13R1.45 O=C(c1ccccc1)OCC(=O)C 1P00FHDE [0,1,0,0,0,0|2,0,1]=4 219 B13R1.45 O=C(c1ccccc1)OCC(=O)Cl 1P019GMX [0,1,0,0,0,0|2,0,1]=4 220 B13R1.45 O=C(c1ccccc1)\C=C\C(=O)O 1P00268F [0,1,0,0,0,0|0,0,3]=4 221 B13R1.45 O=C(c1ccncc1)CCC(=O)O 1P00EDOH [0,1,0,0,0,0|1,0,1]=3 222 B13R1.45 O=C(c1ccncc1)CCC(=O)O 1P01E2KD [0,1,0,0,0,0|1,0,1]=3 223 B13R1.45 O=C(c1ccncc1)NCC(=O)O 1P00BJ41 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.45 OC(=O)CCC(=O)c1ccccn1 1P00EDQG [0,1,0,0,0,0|1,0,1]=3 225 B13R1.45 OC(=O)CCC(=O)c1ccccn1 1P01AD3X [0,1,0,0,0,0|1,0,1]=3 226 B13R1.45 OC(=O)CCC(=O)c1cccnc1 1P00BY0L [0,1,0,0,0,0|1,0,1]=3 227 B13R1.45 OC(=O)CCC(=O)c1cccnc1 1P028J6A [0,1,0,0,0,0|1,0,1]=3 228 B13R1.45 OC(=O)CNC(=O)c1ccccn1 1P01AKRI [0,1,0,0,0,0|2,0,1]=4 229 B13R1.45 OC(=O)CNC(=O)c1cccnc1 1P003FKL [0,1,0,0,0,0|2,0,1]=4 230 B13R1.45 OC(c1ccccc1)CCN(C)C 1P00DK8V [0,1,0,0,0,0|3,0,0]=4 231 B13R1.45 OC(c1ccccc1)CCN(C)C 1P028LNP [0,1,0,0,0,0|3,0,0]=4 232 B13R1.45 OC(c1ccccc1)CNC(=O)C 1P019UKA [0,1,0,0,0,0|2,0,0]=3 233 B13R1.45 OC(c1ccccc1)CNC(=O)N 1P002QNS [0,1,0,0,0,0|2,0,0]=3 234 B13R1.45 OC(c1ccccc1)COC(=O)N 1P0039JG [0,1,0,0,0,0|2,0,0]=3 235 B13R1.45 S=C(c1ccccc1)SCC(=O)O 1P003UMX [0,1,0,0,0,0|1,0,1]=3 236 B13R1.149 CC(=O)OCCc1cccc(c1)N 1P01A5OZ [0,1,0,0,0,0|2,0,0]=3 237 B13R1.149 NC(=O)CCNc1cccc(c1)C 1P01A8PS [0,1,0,0,0,0|2,0,0]=3 238 B13R1.149 NC(=O)CCOc1cccc(c1)F 1P01AARI [0,1,0,0,0,0|2,0,0]=3 239 B13R1.149 NC(=O)CCOc1cccc(c1)N 1P019X0Q [0,1,0,0,0,0|2,0,0]=3 240 B13R1.149 NC(=O)NCCc1cccc(c1)O 1P01DJK1 [0,1,0,0,0,0|2,0,0]=3 241 B13R1.149 Nc1cccc(n1)CCCC(=O)O 1P027UYQ [0,1,0,0,0,0|1,0,0]=2 242 B13R1.149 O=C(O)CCNC1=CC=CC(Br)=C1 1P01KG9R [0,1,0,0,0,0|1,0,0]=2 243 B13R1.149 OC(=O)CC=Cc1cccc(c1)F 1P00HS5W [0,1,0,0,0,0|0,0,2]=3 244 B13R1.149 OC(=O)CCCc1cccc(c1)Br 1P00GV6H [0,1,0,0,0,0|0,0,0]=1 245 B13R1.149 OC(=O)CCCc1cccc(c1)C 1P00BJO2 [0,1,0,0,0,0|0,0,0]=1 246 B13R1.149 OC(=O)CCCc1cccc(c1)Cl 1P002M9U [0,1,0,0,0,0|0,0,0]=1 247 B13R1.149 OC(=O)CCCc1cccc(c1)F 1P00FHXW [0,1,0,0,0,0|0,0,0]=1 248 B13R1.149 OC(=O)CCCc1cccc(c1)N 1P00GYF5 [0,1,0,0,0,0|0,0,0]=1 249 B13R1.149 OC(=O)CCCc1cccc(c1)O 1P008YFH [0,1,0,0,0,0|0,0,0]=1 250 B13R1.149 OC(=O)CCCc1cccc(n1)Cl 1P028T1A [0,1,0,0,0,0|1,0,0]=2 251 B13R1.149 OC(=O)CCNc1cccc(c1)F 1P003J81 [0,1,0,0,0,0|1,0,0]=2 252 B13R1.149 OC(=O)CCNc1cccc(n1)Br 1P01KKJD [0,1,0,0,0,0|2,0,0]=3 253 B13R1.149 OC(=O)CCNc1cccc(n1)Cl 1P01KKMU [0,1,0,0,0,0|2,0,0]=3 254 B13R1.149 OC(=O)CCOc1cccc(c1)Br 1P007T6N [0,1,0,0,0,0|1,0,0]=2 255 B13R1.149 OC(=O)CCOc1cccc(c1)C 1P002R7I [0,1,0,0,0,0|1,0,0]=2 256 B13R1.149 OC(=O)CCOc1cccc(c1)Cl 1P005G86 [0,1,0,0,0,0|1,0,0]=2 257 B13R1.149 OC(=O)CCOc1cccc(c1)F 1P0014OW [0,1,0,0,0,0|1,0,0]=2 258 B13R1.149 OC(=O)CCOc1cccc(c1)I 1P01BG25 [0,1,0,0,0,0|1,0,0]=2 259 B13R1.149 OC(=O)CCSc1cccc(c1)Cl 1P0082KL [0,1,0,0,0,0|1,0,0]=2 260 B13R1.149 OC(=O)CNCc1cccc(c1)Br 1P00I9FD [0,1,0,0,0,0|1,0,0]=2 261 B13R1.149 OC(=O)CNCc1cccc(c1)C 1P01AH8B [0,1,0,0,0,0|1,0,0]=2 262 B13R1.149 OC(=O)CNCc1cccc(c1)Cl 1P01DU3W [0,1,0,0,0,0|1,0,0]=2 263 B13R1.149 OC(=O)CNCc1cccc(c1)F 1P019X44 [0,1,0,0,0,0|1,0,0]=2 264 B13R1.149 OC(=O)COCc1cccc(c1)C 1P01BV3U [0,1,0,0,0,0|1,0,0]=2 265 B13R1.149 OC(=O)COCc1cccc(c1)Cl 1P01AG2N [0,1,0,0,0,0|1,0,0]=2 266 B13R1.149 OC(=O)CSCc1cccc(c1)Br 1P005VWA [0,1,0,0,0,0|1,0,0]=2 267 B13R1.149 OC(=O)CSCc1cccc(c1)C 1P00D2CX [0,1,0,0,0,0|1,0,0]=2 268 B13R1.149 OC(=O)CSCc1cccc(c1)Cl 1P00C93O [0,1,0,0,0,0|1,0,0]=2 269 B13R1.158 CC(=C)CNCc1ccccc1O 1P01EMYM [0,1,0,0,0,0|3,0,0]=4 270 B13R1.158 CC(=O)NCCc1ccccc1Br 1P01DV0T [0,1,0,0,0,0|2,0,0]=3 271 B13R1.158 NC(=N)NCCc1ccccc1F 1P01EKKH [0,1,0,0,0,0|3,0,0]=4 272 B13R1.158 NC(=O)CCNc1ccccc1Cl 1P019PWS [0,1,0,0,0,0|2,0,0]=3 273 B13R1.158 NC(=O)CCNc1ccccc1N 1P01AAVB [0,1,0,0,0,0|2,0,0]=3 274 B13R1.158 NC(=O)CCOc1ccccc1F 1P01AARJ [0,1,0,0,0,0|2,0,0]=3 275 B13R1.158 NC(=O)CCOc1ccccc1N 1P019VKG [0,1,0,0,0,0|2,0,0]=3 276 B13R1.158 NC(=O)CCSc1ccccc1F 1P01AATQ [0,1,0,0,0,0|2,0,0]=3 277 B13R1.158 NC(=O)CCSc1ccccc1N 1P01AAY0 [0,1,0,0,0,0|2,0,0]=3 278 B13R1.158 OC(=O)CCCc1ccccc1Br 1P006HPT [0,1,0,0,0,0|0,0,0]=1 279 B13R1.158 OC(=O)CCCc1ccccc1C 1P005MK2 [0,1,0,0,0,0|0,0,0]=1 280 B13R1.158 OC(=O)CCCc1ccccc1Cl 1P00FHXU [0,1,0,0,0,0|0,0,0]=1 281 B13R1.158 OC(=O)CCCc1ccccc1F 1P00ASJL [0,1,0,0,0,0|0,0,0]=1 282 B13R1.158 OC(=O)CCCc1ccccc1O 1P00CJC8 [0,1,0,0,0,0|0,0,0]=1 283 B13R1.158 OC(=O)CCCn1ccccc1=O 1P018SQ8 [0,1,0,0,0,0|1,0,0]=2 284 B13R1.158 OC(=O)CCNc1ccccc1C 1P006Y7W [0,1,0,0,0,0|1,0,0]=2 285 B13R1.158 OC(=O)CCOc1ccccc1Br 1P001WNG [0,1,0,0,0,0|1,0,0]=2 286 B13R1.158 OC(=O)CCOc1ccccc1C 1P002R7J [0,1,0,0,0,0|1,0,0]=2 287 B13R1.158 OC(=O)CCOc1ccccc1Cl 1P0063X8 [0,1,0,0,0,0|1,0,0]=2 288 B13R1.158 OC(=O)CCOc1ccccc1F 1P002ZI9 [0,1,0,0,0,0|1,0,0]=2 289 B13R1.158 OC(=O)CCOc1ccccc1I 1P01BFZO [0,1,0,0,0,0|1,0,0]=2 290 B13R1.158 OC(=O)CCOc1ccccc1O 1P02857H [0,1,0,0,0,0|1,0,0]=2 291 B13R1.158 OC(=O)CCSc1ccccc1Br 1P019USM [0,1,0,0,0,0|1,0,0]=2 292 B13R1.158 OC(=O)CCSc1ccccc1Cl 1P0065DB [0,1,0,0,0,0|1,0,0]=2 293 B13R1.158 OC(=O)CNCc1ccccc1Br 1P019L25 [0,1,0,0,0,0|1,0,0]=2 294 B13R1.158 OC(=O)CNCc1ccccc1C 1P005HGB [0,1,0,0,0,0|1,0,0]=2 295 B13R1.158 OC(=O)COCc1ccccc1C 1P01BV65 [0,1,0,0,0,0|1,0,0]=2 296 B13R1.158 OC(=O)COCc1ccccc1Cl 1P019VPR [0,1,0,0,0,0|1,0,0]=2 297 B13R1.158 OC(=O)COCc1ccccc1F 1P01BX30 [0,1,0,0,0,0|1,0,0]=2 298 B13R1.158 OC(=O)CSCc1ccccc1C 1P00ABQQ [0,1,0,0,0,0|1,0,0]=2 299 B13R1.158 OC(=O)CSCc1ccccc1Cl 1P00FDKO [0,1,0,0,0,0|1,0,0]=2 300 B13R1.158 OC(=O)CSCc1ccccc1F 1P01KB75 [0,1,0,0,0,0|1,0,0]=2 301 B13R1.158 OC(=O)C\C=C\c1ccccc1F 1P009CLL [0,1,0,0,0,0|0,0,2]=3 302 B13R1.158 [O-]C(=O)CCSc1ccccc1F 1P006YJJ [0,1,0,0,0,0|1,0,1]=3 303 B13R1.348 CC(Cc1ccccc1)NC(=O)C 1P001IX1 [0,1,0,0,0,0|2,0,0]=3 304 B13R1.348 CC(Cc1ccccc1)OC(=O)C 1P002LSM [0,1,0,0,0,0|2,0,0]=3 305 B13R1.348 CC(Oc1ccccc1)CC(=O)O 1P00F7G9 [0,1,0,0,0,0|1,0,0]=2 306 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P00C8YQ [0,1,0,0,0,0|1,0,0]=2 307 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P019Y5V [0,1,0,0,0,0|1,0,0]=2 308 B13R1.348 CN(Cc1ccccn1)CC(=O)O 1P00J1HE [0,1,0,0,0,0|2,0,0]=3 309 B13R1.348 CN(Cc1cccnc1)CC(=O)O 1P00J1H0 [0,1,0,0,0,0|2,0,0]=3 310 B13R1.348 CN(Cc1ccncc1)CC(=O)O 1P00J1H8 [0,1,0,0,0,0|2,0,0]=3 311 B13R1.348 CN(Cc1ccncc1)CC(=O)O 1P00J3JC [0,1,0,0,0,0|2,0,0]=3 312 B13R1.348 NC(Cc1ccccc1)CC(=C)C 1P0288EN [0,1,0,0,0,0|2,0,0]=3 313 B13R1.348 NC(Cc1ccccc1)CC(=O)N 1P028C6W [0,1,0,0,0,0|1,0,0]=2 314 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P001NG1 [0,1,0,0,0,0|0,0,0]=1 315 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P019TO9 [0,1,0,0,0,0|0,0,0]=1 316 B13R1.348 NC(Cc1ccccc1)CC(C)C 1P028JFU [0,1,0,0,0,0|2,0,1]=4 317 B13R1.348 NC(Cc1ccccc1)CN(C)C 1P00CFS2 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P0018JV [0,1,0,0,0,0|0,0,0]=1 319 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P002SXI [0,1,0,0,0,0|0,0,0]=1 320 B13R1.348 N[C@@H](Cc1ccccc1)CN(C)C 1P00BHRI [0,1,0,0,0,0|3,0,0]=4 321 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P000WB7 [0,1,0,0,0,0|0,0,0]=1 322 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P0038R1 [0,1,0,0,0,0|0,0,0]=1 323 B13R1.348 N[C@H](Cc1ccncc1)CC(=O)O 1P00BDLJ [0,1,0,0,0,0|1,0,0]=2 324 B13R1.348 O=C(Cc1ccccc1)CC(=O)C 1P00CASX [0,1,0,0,0,0|1,0,1]=3 325 B13R1.348 O=C(Nc1ccccc1)CC(=O)C 1P0006P0 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.348 O=C(Nc1ccccc1)CC(=O)O 1P001OP0 [0,1,0,0,0,0|1,0,1]=3 327 B13R1.348 OC(Cc1ccccc1)CC(=O)O 1P01BCNN [0,1,0,0,0,0|0,0,0]=1 328 B13R1.348 OC(Cc1ccccc1)CC(C)C 1P003M6G [0,1,0,0,0,0|2,0,1]=4 329 B13R1.348 O[C@H](Cc1ccccc1)CN(C)C 1P027Y8E [0,1,0,0,0,0|3,0,0]=4 330 B13R1.348 S=C(Nc1ccccc1)CC(=O)C 1P017IH5 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.351 BrC(C(=O)O)CCc1ccccc1 1P001VOP [0,1,0,0,0,0|0,0,0]=1 332 B13R1.351 C=C(C(=O)O)COc1ccccc1 1P0283AZ [0,1,0,0,0,0|1,0,1]=3 333 B13R1.351 CC(C(=O)C)OCc1ccccc1 1P00HCXZ [0,1,0,0,0,0|2,0,0]=3 334 B13R1.351 CC(C(=O)N)OCc1ccccc1 1P006Q2E [0,1,0,0,0,0|2,0,0]=3 335 B13R1.351 CC(C(=O)O)CCc1ccccc1 1P00AMJK [0,1,0,0,0,0|0,0,0]=1 336 B13R1.351 CC(C(=O)O)COc1ccccc1 1P007YAE [0,1,0,0,0,0|1,0,0]=2 337 B13R1.351 CC(C(=O)O)CSc1ccccc1 1P01AHRV [0,1,0,0,0,0|1,0,0]=2 338 B13R1.351 CC(C(=O)O)NCc1ccccc1 1P00J4AP [0,1,0,0,0,0|1,0,0]=2 339 B13R1.351 CC(C(=O)O)OCc1ccccc1 1P00FCF1 [0,1,0,0,0,0|1,0,0]=2 340 B13R1.351 CC(C(=O)O)OCc1ccncc1 1P01AV1T [0,1,0,0,0,0|2,0,0]=3 341 B13R1.351 CC(C(O)C)NCc1ccccc1 1P02028F [0,1,0,0,0,0|2,0,1]=4 342 B13R1.351 CC(C(O)C)OCc1ccccc1 1P005O6Q [0,1,0,0,0,0|2,0,1]=4 343 B13R1.351 CN(C(=O)Cl)CCc1ccccc1 1P01EN4G [0,1,0,0,0,0|2,0,0]=3 344 B13R1.351 C[C@@H](C(=O)O)NCc1ccccc1 1P005IJS [0,1,0,0,0,0|1,0,0]=2 345 B13R1.351 C[C@@H](C(=O)O)OCc1ccccc1 1P00C6Y4 [0,1,0,0,0,0|1,0,0]=2 346 B13R1.351 C[C@H](C(=O)O)NCc1ccccc1 1P00ED5E [0,1,0,0,0,0|1,0,0]=2 347 B13R1.351 C[C@H](C(=O)O)OCc1ccccc1 1P0003FL [0,1,0,0,0,0|1,0,0]=2 348 B13R1.351 C[C@H]([C@H](O)C)OCc1ccccc1 1P000MCR [0,1,0,0,0,0|2,0,1]=4 349 B13R1.351 NC(C(=O)O)CCc1ccccc1 1P0004EN [0,1,0,0,0,0|0,0,0]=1 350 B13R1.351 NC(C(=O)O)CCc1ccccc1 1P003RQU [0,1,0,0,0,0|0,0,0]=1 351 B13R1.351 NC(C(=O)O)CCc1ccncc1 1P01DXBR [0,1,0,0,0,0|1,0,0]=2 352 B13R1.351 NC(C(F)F)CCc1ccccc1 1P01A588 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.351 N[C@@H](C(=O)O)CCc1ccccc1 1P0032RC [0,1,0,0,0,0|0,0,0]=1 354 B13R1.351 N[C@H](C(=O)O)CCc1ccccc1 1P0032XJ [0,1,0,0,0,0|0,0,0]=1 355 B13R1.351 N[C@H](C(=O)O)CCc1ccccc1 1P007X3W [0,1,0,0,0,0|0,0,0]=1 356 B13R1.351 N[C@H](C(=O)O)CNc1ccccc1 1P0285OT [0,1,0,0,0,0|1,0,0]=2 357 B13R1.351 N[C@H](C(=O)O)COc1ccccc1 1P002PZM [0,1,0,0,0,0|1,0,0]=2 358 B13R1.351 N[C@H](C(=O)O)CSc1ccccc1 1P00362T [0,1,0,0,0,0|1,0,0]=2 359 B13R1.351 N[C@H](C(=O)O)C[Se]c1ccccc1 1P00FG5E [0,1,0,0,0,0|1,0,0]=2 360 B13R1.351 O=C(C(=O)C)OCc1ccccc1 1P003AK9 [0,1,0,0,0,0|2,0,1]=4 361 B13R1.351 O=C(C(=O)O)CCc1ccccc1 1P00ICL3 [0,1,0,0,0,0|0,0,1]=2 362 B13R1.351 OC(=O)C(CCc1ccccn1)N 1P01EM2F [0,1,0,0,0,0|1,0,0]=2 363 B13R1.351 OC(=O)C(NCc1ccccn1)C 1P019VNV [0,1,0,0,0,0|2,0,0]=3 364 B13R1.351 OC(=O)C(NCc1cccnc1)C 1P019V4G [0,1,0,0,0,0|2,0,0]=3 365 B13R1.351 OC(=O)[C@@H](NCc1ccccn1)C 1P027XTN [0,1,0,0,0,0|2,0,0]=3 366 B13R1.351 OC(=O)[C@H](NCc1ccccn1)C 1P0291YV [0,1,0,0,0,0|2,0,0]=3 367 B13R1.351 OC(C(=O)O)CCc1ccccc1 1P00728Y [0,1,0,0,0,0|0,0,0]=1 368 B13R1.351 OC(C(C)C)CCc1ccccc1 1P006KB8 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.351 O[C@@H](C(=O)O)CCc1ccccc1 1P002ZJO [0,1,0,0,0,0|0,0,0]=1 370 B13R1.351 O[C@H](C(=O)O)CCc1ccccc1 1P000G3X [0,1,0,0,0,0|0,0,0]=1 371 B13R1.513 BrC(=C)CNCc1ccc(cc1)Br 1P01DVK7 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.513 BrC(=C)CNCc1ccc(cc1)Cl 1P01DVHZ [0,1,0,0,0,0|3,0,0]=4 373 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1P01C0IH [0,1,0,0,0,0|1,0,0]=2 374 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1P001I2G [0,1,0,0,0,0|2,0,0]=3 375 B13R1.513 CC(=O)NCCc1ccc(cc1)O 1P0077AS [0,1,0,0,0,0|2,0,0]=3 376 B13R1.513 CN(CCCc1ccc(cc1)N)C 1P00C8ZG [0,1,0,0,0,0|3,0,0]=4 377 B13R1.513 NC(=N)SCCc1ccc(cc1)Cl 1P01C26L [0,1,0,0,0,0|3,0,0]=4 378 B13R1.513 NC(=O)CCNc1ccc(cc1)F 1P019PXK [0,1,0,0,0,0|2,0,0]=3 379 B13R1.513 NC(=O)CCNc1ccc(cc1)N 1P01AB40 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.513 NC(=O)CCOc1ccc(cc1)N 1P019UPQ [0,1,0,0,0,0|2,0,0]=3 381 B13R1.513 NC(=O)CCSc1ccc(cc1)F 1P01AATP [0,1,0,0,0,0|2,0,0]=3 382 B13R1.513 NC(=S)CCNc1ccc(cc1)C 1P019N00 [0,1,0,0,0,0|2,1,0]=4 383 B13R1.513 OC(=O)C=COc1ccc(cc1)C 1P028ICP [0,1,0,0,0,0|1,0,2]=4 384 B13R1.513 OC(=O)CC=Cc1ccc(cc1)C 1P019ZEZ [0,1,0,0,0,0|0,0,2]=3 385 B13R1.513 OC(=O)CC=Cc1ccc(cc1)F 1P019SMS [0,1,0,0,0,0|0,0,2]=3 386 B13R1.513 OC(=O)CCCc1ccc(cc1)Br 1P003KJC [0,1,0,0,0,0|0,0,0]=1 387 B13R1.513 OC(=O)CCCc1ccc(cc1)C 1P0034AL [0,1,0,0,0,0|0,0,0]=1 388 B13R1.513 OC(=O)CCCc1ccc(cc1)Cl 1P00DC4R [0,1,0,0,0,0|0,0,0]=1 389 B13R1.513 OC(=O)CCCc1ccc(cc1)F 1P003KKH [0,1,0,0,0,0|0,0,0]=1 390 B13R1.513 OC(=O)CCCc1ccc(cc1)I 1P003KQQ [0,1,0,0,0,0|0,0,0]=1 391 B13R1.513 OC(=O)CCCc1ccc(cc1)N 1P001NM6 [0,1,0,0,0,0|0,0,0]=1 392 B13R1.513 OC(=O)CCCc1ccc(cc1)O 1P00ICHP [0,1,0,0,0,0|0,0,0]=1 393 B13R1.513 OC(=O)CCCc1ccc(nn1)Cl 1P0288XY [0,1,0,0,0,0|2,0,0]=3 394 B13R1.513 OC(=O)CCCc1ncc(cn1)Br 1P028POK [0,1,0,0,0,0|2,0,0]=3 395 B13R1.513 OC(=O)CCNc1ccc(cc1)Br 1P00IGNW [0,1,0,0,0,0|1,0,0]=2 396 B13R1.513 OC(=O)CCNc1ccc(cc1)C 1P00CER4 [0,1,0,0,0,0|1,0,0]=2 397 B13R1.513 OC(=O)CCNc1ccc(cc1)Cl 1P00BOA7 [0,1,0,0,0,0|1,0,0]=2 398 B13R1.513 OC(=O)CCNc1ccc(cn1)C 1P019VE6 [0,1,0,0,0,0|2,0,0]=3 399 B13R1.513 OC(=O)CCOc1ccc(cc1)Br 1P00H0NW [0,1,0,0,0,0|1,0,0]=2 400 B13R1.513 OC(=O)CCOc1ccc(cc1)C 1P002R7H [0,1,0,0,0,0|1,0,0]=2 401 B13R1.513 OC(=O)CCOc1ccc(cc1)Cl 1P003IKL [0,1,0,0,0,0|1,0,0]=2 402 B13R1.513 OC(=O)CCOc1ccc(cc1)F 1P001QA8 [0,1,0,0,0,0|1,0,0]=2 403 B13R1.513 OC(=O)CCOc1ccc(cc1)N 1P00CKM3 [0,1,0,0,0,0|1,0,0]=2 404 B13R1.513 OC(=O)CCOc1ccc(cc1)N 1P01AI5O [0,1,0,0,0,0|1,0,0]=2 405 B13R1.513 OC(=O)CCSc1ccc(cc1)Br 1P009J1U [0,1,0,0,0,0|1,0,0]=2 406 B13R1.513 OC(=O)CCSc1ccc(cc1)C 1P0013P0 [0,1,0,0,0,0|1,0,0]=2 407 B13R1.513 OC(=O)CCSc1ccc(cc1)Cl 1P00EJBL [0,1,0,0,0,0|1,0,0]=2 408 B13R1.513 OC(=O)CCSc1ccc(cc1)F 1P00AQ9O [0,1,0,0,0,0|1,0,0]=2 409 B13R1.513 OC(=O)CNCc1ccc(cc1)Br 1P027UIE [0,1,0,0,0,0|1,0,0]=2 410 B13R1.513 OC(=O)CNCc1ccc(cc1)C 1P009UZS [0,1,0,0,0,0|1,0,0]=2 411 B13R1.513 OC(=O)CNCc1ccc(cc1)Cl 1P01AJ2N [0,1,0,0,0,0|1,0,0]=2 412 B13R1.513 OC(=O)CNCc1ccc(cc1)F 1P019V4N [0,1,0,0,0,0|1,0,0]=2 413 B13R1.513 OC(=O)CNCc1ccc(cc1)F 1P019XM0 [0,1,0,0,0,0|1,0,0]=2 414 B13R1.513 OC(=O)CNCc1ccc(cc1)O 1P01JNBS [0,1,0,0,0,0|1,0,0]=2 415 B13R1.513 OC(=O)COCc1ccc(cc1)C 1P01B7WB [0,1,0,0,0,0|1,0,0]=2 416 B13R1.513 OC(=O)COCc1ccc(cc1)Cl 1P01AG2M [0,1,0,0,0,0|1,0,0]=2 417 B13R1.513 OC(=O)CSCc1ccc(cc1)Br 1P019PCL [0,1,0,0,0,0|1,0,0]=2 418 B13R1.513 OC(=O)CSCc1ccc(cc1)C 1P00F291 [0,1,0,0,0,0|1,0,0]=2 419 B13R1.513 OC(=O)CSCc1ccc(cc1)Cl 1P00IGPJ [0,1,0,0,0,0|1,0,0]=2 420 B13R1.513 OC(=O)CSCc1ccc(cc1)F 1P00EWDH [0,1,0,0,0,0|1,0,0]=2 421 B13R1.513 OC(=O)\C=C/Sc1ccc(cc1)C 1P028U58 [0,1,0,0,0,0|1,0,2]=4 422 B13R1.513 [O-]C(=O)CCNc1ccc(cc1)C 1P019PL6 [0,1,0,0,0,0|1,0,1]=3 423 B13R1.718 BrCC(=O)NCCc1ccccc1 1P00EBP1 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.718 BrCC(COCc1ccccc1)O 1P001FYX [0,1,0,0,0,0|2,0,1]=4 425 B13R1.718 C=CC(=O)NCCc1ccccn1 1P01AMEK [0,1,0,0,0,0|3,0,0]=4 426 B13R1.718 CCC(=O)COCc1ccccc1 1P01EV3V [0,1,0,0,0,0|2,0,0]=3 427 B13R1.718 CCC(=O)OCCc1ccccc1 1P00170R [0,1,0,0,0,0|2,0,0]=3 428 B13R1.718 CCC(CNCc1ccccc1)O 1P01A1ZZ [0,1,0,0,0,0|2,0,1]=4 429 B13R1.718 CNC(=O)CCCc1ccccc1 1P01BI8C [0,1,0,0,0,0|1,0,0]=2 430 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTWH [0,1,0,0,0,0|2,0,0]=3 431 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTYI [0,1,0,0,0,0|2,0,0]=3 432 B13R1.718 COC(=O)CCCc1ccccc1 1P002A2C [0,1,0,0,0,0|0,0,0]=1 433 B13R1.718 COC(=O)CCNc1ccccc1 1P00BDPH [0,1,0,0,0,0|1,0,0]=2 434 B13R1.718 COC(=O)CCNc1ccccn1 1P00DAAK [0,1,0,0,0,0|2,0,0]=3 435 B13R1.718 COC(=O)CNCc1ccccc1 1P007UNZ [0,1,0,0,0,0|1,0,0]=2 436 B13R1.718 COC(=O)CNCc1ccccc1 1P00DGI1 [0,1,0,0,0,0|1,0,0]=2 437 B13R1.718 COC(=O)COCc1ccccc1 1P003RZE [0,1,0,0,0,0|1,0,0]=2 438 B13R1.718 COC(=O)C\N=C\c1ccccc1 1P00FCM7 [0,1,0,0,0,0|1,0,1]=3 439 B13R1.718 COC(=O)NOCc1ccccc1 1P019F5F [0,1,0,0,0,0|2,0,0]=3 440 B13R1.718 COC(=O)\C=C\Cc1ccccc1 1P01DJAM [0,1,0,0,0,0|0,0,2]=3 441 B13R1.718 ClCC(=O)CCCc1ccccc1 1P01CAQE [0,1,0,0,0,0|1,0,0]=2 442 B13R1.718 ClCC(=O)NCCc1ccccc1 1P000ZW1 [0,1,0,0,0,0|2,0,0]=3 443 B13R1.718 ClCC(=O)NOCc1ccccc1 1P005F3H [0,1,0,0,0,0|3,0,0]=4 444 B13R1.718 ClCC(=O)OCCc1ccccc1 1P005U5R [0,1,0,0,0,0|2,0,0]=3 445 B13R1.718 FC[C@H](COCc1ccccc1)O 1P0282GG [0,1,0,0,0,0|2,0,1]=4 446 B13R1.718 NCC(=C)COCc1ccccc1 1P028BV1 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.718 NCC(=O)NCCc1ccccc1 1P01A8BG [0,1,0,0,0,0|2,0,0]=3 448 B13R1.718 NCC(CCCc1ccccc1)O 1P01B2ZS [0,1,0,0,0,0|1,0,1]=3 449 B13R1.718 NCC(COCc1ccccc1)O 1P003JFF [0,1,0,0,0,0|2,0,1]=4 450 B13R1.718 NC[C@H](COCc1ccccc1)O 1P01IGJP [0,1,0,0,0,0|2,0,1]=4 451 B13R1.718 NNC(=O)CCCc1ccccc1 1P00D4H5 [0,1,0,0,0,0|1,0,0]=2 452 B13R1.718 NNC(=O)CCNc1ccccc1 1P00DBCG [0,1,0,0,0,0|2,0,0]=3 453 B13R1.718 NNC(=O)CCOc1ccccc1 1P01A8FR [0,1,0,0,0,0|2,0,0]=3 454 B13R1.718 NNC(=O)CNCc1ccccc1 1P027U5E [0,1,0,0,0,0|2,0,0]=3 455 B13R1.718 NNC(=O)COCc1ccccc1 1P00C9L1 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.718 NNC(=O)NCCc1ccccn1 1P019YAL [0,1,0,0,0,0|3,0,0]=4 457 B13R1.718 NNC(=S)NCCc1ccccc1 1P00C1OF [0,1,0,0,0,0|2,1,0]=4 458 B13R1.718 OCC(CNCc1ccccc1)C 1P00J4EU [0,1,0,0,0,0|2,0,1]=4 459 B13R1.718 OCC(COCc1ccccc1)C 1P00H6F1 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.718 OCC(COCc1ccccc1)N 1P00863Z [0,1,0,0,0,0|2,0,1]=4 461 B13R1.718 OCC(COCc1ccccc1)N 1P027WN2 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.718 OCC(COCc1ccccc1)O 1P000VB0 [0,1,0,0,0,0|1,0,2]=4 463 B13R1.718 OCC(OCCc1ccccc1)C 1P01AUZG [0,1,0,0,0,0|2,0,1]=4 464 B13R1.718 OC[C@@H](COCc1ccccc1)N 1P003CU6 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.718 OC[C@@H](COCc1ccccc1)N 1P00ECGC [0,1,0,0,0,0|2,0,1]=4 466 B13R1.718 OC[C@@H](COCc1ccccc1)O 1P003CUK [0,1,0,0,0,0|1,0,2]=4 467 B13R1.718 OC[C@H](COCc1ccccc1)N 1P003CPJ [0,1,0,0,0,0|2,0,1]=4 468 B13R1.718 OC[C@H](COCc1ccccc1)N 1P00IAVF [0,1,0,0,0,0|2,0,1]=4 469 B13R1.718 OC[C@H](COCc1ccccc1)O 1P003F1I [0,1,0,0,0,0|1,0,2]=4 470 B13R1.718 OC[C@H](CSCc1ccccc1)N 1P003UO4 [0,1,0,0,0,0|2,0,1]=4 471 B13R1.718 ON=C(CCCc1ccccc1)N 1P01A8EY [0,1,0,0,0,0|1,0,0]=2 472 B13R1.718 ONC(=O)CCCc1ccccc1 1P007HTK [0,1,0,0,0,0|0,0,0]=1 473 B13R1.718 ONC(=O)CCOc1ccccc1 1P019XAU [0,1,0,0,0,0|1,0,0]=2 474 B13R1.3523 CC(CNCc1ccccc1)(O)C 1P00IDL2 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 1P00D21R [0,1,0,0,0,0|2,0,1]=4 476 B13R1.3523 CS(=O)(=O)OCCc1ccccc1 1P002D2G [0,1,0,0,0,0|2,0,1]=4 477 B13R1.3523 ClS(=O)(=O)CCCc1ccccc1 1P00EDDK [0,1,0,0,0,0|1,0,1]=3 478 B13R1.3523 ClS(=O)(=O)CCOc1ccccc1 1P00C0GO [0,1,0,0,0,0|2,0,1]=4 479 B13R1.3523 ClS(=O)(=O)NCCc1ccccc1 1P007P62 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.3523 Cl[Si](CCCc1ccccc1)(Cl)Cl 1P003VH7 [0,1,0,0,0,0|2,1,0]=4 481 B13R1.3523 FS(=O)(=O)CCOc1ccccc1 1P028HK1 [0,1,0,0,0,0|2,0,1]=4 482 B13R1.3523 F[B-](CCCc1ccccc1)(F)F 1P003UBU [0,1,0,0,0,0|3,0,0]=4 483 B13R1.3523 NS(=O)(=O)CCCc1ccccc1 1P00H4ZV [0,1,0,0,0,0|1,0,1]=3 484 B13R1.3523 NS(=O)(=O)CCOc1ccccc1 1P019SVV [0,1,0,0,0,0|2,0,1]=4 485 B13R1.3523 NS(=O)(=O)CCSc1ccccc1 1P019SN4 [0,1,0,0,0,0|2,0,1]=4 486 B13R1.3523 OP(=O)(C\C=C\c1ccccc1)O 1P00AONW [0,1,0,0,0,0|1,0,2]=4 487 B13R1.3523 [O-]S(=O)(=O)CCC[n+]1ccccc1 1P007XWD [0,1,0,0,0,0|2,0,1]=4 488 B11R0.147 C=CCCC(=O)CCCC(=O)O 1P007JCU [0,0,1,0,0,0|1,0,2]=4 489 B13R2.10 CC1COC(O1)c2ccccc2 1P00I5D9 [0,0,0,1,0,0|2,0,1]=4 490 B13R2.10 C[C@H]1CCC(N1)c2ccccc2 1P00IL8R [0,0,0,1,0,0|2,0,1]=4 491 B13R2.10 NC1=NN(CC1)c2ccccc2 1P003JBS [0,0,0,1,0,0|3,0,0]=4 492 B13R2.10 N[C@@H]1CC[C@@H](C1)c2ccccc2 1P01C2M4 [0,0,0,1,0,0|2,0,1]=4 493 B13R2.10 O=C1CCC(=C1)c2ccccc2 1P00CLF2 [0,0,0,1,0,0|1,0,1]=3 494 B13R2.10 O=C1CCC(C1)c2ccccc2 1P003A7Y [0,0,0,1,0,0|1,0,0]=2 495 B13R2.10 O=C1CCC(N1)c2ccccc2 1P00BGKA [0,0,0,1,0,0|1,0,0]=2 496 B13R2.10 O=C1CCC(O1)c2ccccc2 1P003R7A [0,0,0,1,0,0|0,0,0]=1 497 B13R2.10 O=C1CCN(C1)c2ccccc2 1P000Y9H [0,0,0,1,0,0|2,0,0]=3 498 B13R2.10 O=C1CCN(N1)c2ccccc2 1P00IHFX [0,0,0,1,0,0|2,0,0]=3 499 B13R2.10 O=C1CC[C@@H](N1)c2ccccc2 1P0202GN [0,0,0,1,0,0|1,0,0]=2 500 B13R2.10 O=C1CC[C@H](N1)c2ccccc2 1P01JUX4 [0,0,0,1,0,0|1,0,0]=2 501 B13R2.10 O=C1CN=C(N1)c2ccccc2 1P01BVJD [0,0,0,1,0,0|2,0,1]=4 502 B13R2.10 O=C1CN=C(O1)c2ccccc2 1P000QAZ [0,0,0,1,0,0|1,0,1]=3 503 B13R2.10 O=C1COC(C1)c2ccccc2 1P027Y9B [0,0,0,1,0,0|2,0,0]=3 504 B13R2.10 O=C1NCC(=C1)c2ccccc2 1P01C698 [0,0,0,1,0,0|2,0,1]=4 505 B13R2.10 O=C1NCC(C1)c2ccccc2 1P000Q57 [0,0,0,1,0,0|2,0,0]=3 506 B13R2.10 O=C1NCC(C1)c2ccccn2 1P01A99Y [0,0,0,1,0,0|3,0,0]=4 507 B13R2.10 O=C1NCC(C1)c2cccnc2 1P00DFCI [0,0,0,1,0,0|3,0,0]=4 508 B13R2.10 O=C1NCC(C1)c2ccncc2 1P01FMGM [0,0,0,1,0,0|3,0,0]=4 509 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,1,0,0|2,0,0]=3 510 B13R2.10 O=C1NCC(O1)c2ccccc2 1P00G49F [0,0,0,1,0,0|1,0,0]=2 511 B13R2.10 O=C1NC[C@@H](C1)c2ccccc2 1P00IBIN [0,0,0,1,0,0|2,0,0]=3 512 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 1P0285H0 [0,0,0,1,0,0|1,0,0]=2 513 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 1P01DUKE [0,0,0,1,0,0|1,0,0]=2 514 B13R2.10 O=C1NNC(C1)c2ccccc2 1P000UXZ [0,0,0,1,0,0|3,0,0]=4 515 B13R2.10 O=C1OCC(=C1)c2ccccc2 1P001PY0 [0,0,0,1,0,0|2,0,1]=4 516 B13R2.10 O=C1OCC(C1)c2ccccc2 1P009OKM [0,0,0,1,0,0|2,0,0]=3 517 B13R2.10 O=C1OCC(N1)c2ccccc2 1P005HEV [0,0,0,1,0,0|2,0,0]=3 518 B13R2.10 O=C1OCC(N1)c2ccccn2 1P028WVV [0,0,0,1,0,0|3,0,0]=4 519 B13R2.10 O=C1OCC(O1)c2ccccc2 1P00DE85 [0,0,0,1,0,0|1,0,0]=2 520 B13R2.10 O=C1OC[C@@H](N1)c2ccccc2 1P0032WS [0,0,0,1,0,0|2,0,0]=3 521 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 1P0032UC [0,0,0,1,0,0|2,0,0]=3 522 B13R2.10 O=C1SCC(=C1)c2ccccc2 1P005PH7 [0,0,0,1,0,0|2,0,1]=4 523 B13R2.10 O=C1SCC(N1)c2ccccc2 1P00IBPF [0,0,0,1,0,0|2,0,0]=3 524 B13R2.10 O=c1[nH]nc(o1)c2ccccc2 1P000QAY [0,0,0,1,0,0|2,0,1]=4 525 B13R2.10 O=c1onc(o1)c2ccccc2 1P0201WC [0,0,0,1,0,0|2,0,1]=4 526 B13R2.10 OC1CCC(C1)c2ccccc2 1P006WTX [0,0,0,1,0,0|1,0,1]=3 527 B13R2.10 OC1CCN(C1)c2ccccc2 1P00JPV4 [0,0,0,1,0,0|2,0,1]=4 528 B13R2.10 OC1CNC(C1)c2ccccc2 1P01C3AQ [0,0,0,1,0,0|2,0,1]=4 529 B13R2.10 OC1COC(C1)c2ccccc2 1P01A012 [0,0,0,1,0,0|2,0,1]=4 530 B13R2.10 O[C@@H]1CN[C@@H](C1)c2ccccc2 1P0293TQ [0,0,0,1,0,0|2,0,1]=4 531 B13R2.10 O[C@@H]1CN[C@H](C1)c2ccccc2 1P028A32 [0,0,0,1,0,0|2,0,1]=4 532 B13R2.10 S=C1OC[C@@H](N1)c2ccccc2 1P002FF7 [0,0,0,1,0,0|2,1,0]=4 533 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 1P003CR3 [0,0,0,1,0,0|2,1,0]=4 534 B13R2.10 S=C1SC[C@@H](N1)c2ccccc2 1P00I1ZZ [0,0,0,1,0,0|2,1,0]=4 535 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 1P008SVY [0,0,0,1,0,0|2,1,0]=4 536 B13R2.31 Br[C@@H]1C[C@H](C1)Cc2ccccc2 1P027ZYF [0,0,0,1,0,0|2,0,1]=4 537 B13R2.31 NC1CC(C1)Cc2ccccc2 1P027OVW [0,0,0,1,0,0|2,0,1]=4 538 B13R2.31 N[C@@H]1C[C@@H](C1)Cc2ccccc2 1P027V9P [0,0,0,1,0,0|2,0,1]=4 539 B13R2.31 N[C@@H]1C[C@H](C1)Cc2ccccc2 1P0290XJ [0,0,0,1,0,0|2,0,1]=4 540 B13R2.31 O=C1CC(C1)Oc2ccccc2 1P00ICGI [0,0,0,1,0,0|2,0,0]=3 541 B13R2.31 O=C1CC(C1)Oc2ccccn2 1P027XS1 [0,0,0,1,0,0|3,0,0]=4 542 B13R2.31 O=C1CC(C1)Oc2ccncc2 1P027X3K [0,0,0,1,0,0|3,0,0]=4 543 B13R2.31 O=C1CC(C1)Sc2ccccc2 1P01BXX6 [0,0,0,1,0,0|2,0,0]=3 544 B13R2.31 O=C1CC(N1)Cc2ccccc2 1P00GAKO [0,0,0,1,0,0|1,0,0]=2 545 B13R2.31 OC1CC(C1)Cc2ccccc2 1P002BFN [0,0,0,1,0,0|1,0,1]=3 546 B13R2.31 OC1CN(C1)Cc2ccccc2 1P003EGY [0,0,0,1,0,0|2,0,1]=4 547 B13R2.31 O[C@@H]1C[C@@H](C1)Cc2ccccc2 1P02901T [0,0,0,1,0,0|1,0,1]=3 548 B13R2.31 O[C@@H]1C[C@@H](C1)Sc2ccccc2 1P01C0KN [0,0,0,1,0,0|2,0,1]=4 549 B13R2.31 O[C@@H]1C[C@H](C1)Cc2ccccc2 1P027XTE [0,0,0,1,0,0|1,0,1]=3 550 B13R2.31 O[C@@H]1C[C@H](C1)Oc2ccccc2 1P01B320 [0,0,0,1,0,0|2,0,1]=4 551 B13R2.31 SC1CC(C1)Cc2ccccc2 1P027W46 [0,0,0,1,0,0|1,1,1]=4 552 B13R2.31 S[C@@H]1C[C@H](C1)Cc2ccccc2 1P027VWH [0,0,0,1,0,0|1,1,1]=4 553 B13R2.72 CC(=O)N1CCc2c1cccc2 1P001VT4 [0,0,0,1,0,0|2,0,0]=3 554 B13R2.72 ClC(=O)C1COc2c1cccc2 1P01A2BM [0,0,0,1,0,0|2,0,0]=3 555 B13R2.72 ClC(=O)N1CCc2c1cccc2 1P009Q7Y [0,0,0,1,0,0|2,0,0]=3 556 B13R2.72 ClC(=O)N1CCc2c1nccc2 1P0290TW [0,0,0,1,0,0|3,0,0]=4 557 B13R2.72 NC(=N)C1COc2c1cccc2 1P01C5VU [0,0,0,1,0,0|3,0,0]=4 558 B13R2.72 NC(=N)N1CCc2c1cccc2 1P01BEAW [0,0,0,1,0,0|3,0,0]=4 559 B13R2.72 NC(=O)C1CCc2c1cccc2 1P00CZAI [0,0,0,1,0,0|1,0,0]=2 560 B13R2.72 NC(=O)C1NCc2c1cccc2 1P01JWIU [0,0,0,1,0,0|2,0,0]=3 561 B13R2.72 NC(=O)N1CCc2c1cccc2 1P00EY0W [0,0,0,1,0,0|2,0,0]=3 562 B13R2.72 NC(=S)C1CCc2c1nccc2 1P01EJ8Z [0,0,0,1,0,0|2,1,0]=4 563 B13R2.72 NC(=S)N1CCc2c1cccc2 1P00EELV [0,0,0,1,0,0|2,1,0]=4 564 B13R2.72 OC(=O)C1=CCc2c1cccc2 1P001I8C [0,0,0,1,0,0|0,0,2]=3 565 B13R2.72 OC(=O)C1CCc2c1cccc2 1P001IVR [0,0,0,1,0,0|0,0,0]=1 566 B13R2.72 OC(=O)C1CCc2c1ccnc2 1P028VBE [0,0,0,1,0,0|1,0,0]=2 567 B13R2.72 OC(=O)C1CCc2c1nccc2 1P01B9NU [0,0,0,1,0,0|1,0,0]=2 568 B13R2.72 OC(=O)C1CNc2c1cccc2 1P002BUP [0,0,0,1,0,0|1,0,0]=2 569 B13R2.72 OC(=O)C1CNc2c1cccc2 1P00778M [0,0,0,1,0,0|1,0,0]=2 570 B13R2.72 OC(=O)C1COc2c1cccc2 1P00C6Q8 [0,0,0,1,0,0|1,0,0]=2 571 B13R2.72 OC(=O)C1CSc2c1cccc2 1P01AJUK [0,0,0,1,0,0|1,0,0]=2 572 B13R2.72 OC(=O)C1NCc2c1cccc2 1P006U03 [0,0,0,1,0,0|1,0,0]=2 573 B13R2.72 OC(=O)C1NCc2c1cccc2 1P00FD4F [0,0,0,1,0,0|1,0,0]=2 574 B13R2.72 OC(=O)C1OCc2c1cccc2 1P01S6HV [0,0,0,1,0,0|1,0,0]=2 575 B13R2.72 OC(=O)C1SCc2c1nccc2 1P02850Z [0,0,0,1,0,0|2,0,0]=3 576 B13R2.72 OC(=O)[C@@H]1CCc2c1cccc2 1P004H1V [0,0,0,1,0,0|0,0,0]=1 577 B13R2.72 OC(=O)[C@@H]1NCc2c1cccc2 1P00ARNV [0,0,0,1,0,0|1,0,0]=2 578 B13R2.72 OC(=O)[C@H]1CCc2c1cccc2 1P01BUCG [0,0,0,1,0,0|0,0,0]=1 579 B13R2.72 OC(=O)[C@H]1NCc2c1cccc2 1P003BBZ [0,0,0,1,0,0|1,0,0]=2 580 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 1P003471 [0,0,0,1,0,0|1,0,2]=4 581 B13R2.72 OC(=O)c1coc2c1cccc2 1P002U29 [0,0,0,1,0,0|1,0,2]=4 582 B13R2.72 OC(=O)c1csc2c1cccc2 1P003EFP [0,0,0,1,0,0|1,0,2]=4 583 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 1P0035HE [0,0,0,1,0,0|2,0,1]=4 584 B13R2.72 OC(=O)c1noc2c1cccc2 1P002WJR [0,0,0,1,0,0|2,0,1]=4 585 B13R2.72 OC(=O)c1nsc2c1cccc2 1P018SLE [0,0,0,1,0,0|2,0,1]=4 586 B13R2.72 OC(=O)c1onc2c1cccc2 1P003AFH [0,0,0,1,0,0|2,0,1]=4 587 B13R2.72 OC(=O)c1snc2c1cccc2 1P00C837 [0,0,0,1,0,0|2,0,1]=4 588 B13R2.163 CC1CNCc2c(O1)cccc2 1P01AM33 [0,0,0,1,0,0|2,0,1]=4 589 B13R2.163 NC1CCCc2c(C1)cccc2 1P01DWYZ [0,0,0,1,0,0|2,0,1]=4 590 B13R2.163 O=C1CCCc2c(N1)cccc2 1P003DWG [0,0,0,1,0,0|1,0,0]=2 591 B13R2.163 O=C1CCCc2c(N1)nccc2 1P0064UT [0,0,0,1,0,0|2,0,0]=3 592 B13R2.163 O=C1CCCc2c(O1)cccc2 1P0030I8 [0,0,0,1,0,0|0,0,0]=1 593 B13R2.163 O=C1CCNc2c(N1)cccc2 1P003DWH [0,0,0,1,0,0|2,0,0]=3 594 B13R2.163 O=C1CCNc2c(N1)cccn2 1P008PPE [0,0,0,1,0,0|3,0,0]=4 595 B13R2.163 O=C1CCNc2c(N1)ccnc2 1P019ZUM [0,0,0,1,0,0|3,0,0]=4 596 B13R2.163 O=C1CCNc2c(N1)cncc2 1P00FPAI [0,0,0,1,0,0|3,0,0]=4 597 B13R2.163 O=C1CCOc2c(C1)cccc2 1P00I4MQ [0,0,0,1,0,0|2,0,0]=3 598 B13R2.163 O=C1CCOc2c(N1)cccc2 1P005JD1 [0,0,0,1,0,0|2,0,0]=3 599 B13R2.163 O=C1CCSc2c(C1)cccc2 1P00H6RG [0,0,0,1,0,0|2,0,0]=3 600 B13R2.163 O=C1CCSc2c(N1)cccc2 1P00DIZ8 [0,0,0,1,0,0|2,0,0]=3 601 B13R2.163 O=C1CNCc2c(N1)cccc2 1P00B04Y [0,0,0,1,0,0|2,0,0]=3 602 B13R2.163 O=C1CNCc2c(N1)cccc2 1P01B2X0 [0,0,0,1,0,0|2,0,0]=3 603 B13R2.163 O=C1COCc2c(N1)cccc2 1P00CLRN [0,0,0,1,0,0|2,0,0]=3 604 B13R2.163 O=C1CSCc2c(N1)cccc2 1P008288 [0,0,0,1,0,0|2,0,0]=3 605 B13R2.163 O=C1NCCc2c(C1)cccc2 1P001RXM [0,0,0,1,0,0|2,0,0]=3 606 B13R2.163 O=C1NCCc2c(N1)cccc2 1P00CJIB [0,0,0,1,0,0|2,0,0]=3 607 B13R2.423 CC(C1CC1c2ccccc2)N 1P019XM2 [0,0,0,1,0,0|2,0,1]=4 608 B13R2.423 CC([C@@H]1C[C@H]1c2ccccc2)N 1P01B9JG [0,0,0,1,0,0|2,0,1]=4 609 B13R2.423 ClC(=O)[C@@H]1C[C@H]1c2ccccc2 1P003VDF [0,0,0,1,0,0|1,0,0]=2 610 B13R2.423 OC(=O)C1CC1c2ccccc2 1P00EC5Y [0,0,0,1,0,0|0,0,0]=1 611 B13R2.423 OC(=O)C1CC1c2ccccn2 1P003F9C [0,0,0,1,0,0|1,0,0]=2 612 B13R2.423 OC(=O)C1CC1c2cccnc2 1P0005UZ [0,0,0,1,0,0|1,0,0]=2 613 B13R2.423 OC(=O)C1CC1c2ccncc2 1P00JQ1X [0,0,0,1,0,0|1,0,0]=2 614 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 1P006AHI [0,0,0,1,0,0|0,0,0]=1 615 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2cccnc2 1P00JOOD [0,0,0,1,0,0|1,0,0]=2 616 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccncc2 1P028U6H [0,0,0,1,0,0|1,0,0]=2 617 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 1P00366E [0,0,0,1,0,0|0,0,0]=1 618 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P00FGKV [0,0,0,1,0,0|1,0,0]=2 619 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P028DIA [0,0,0,1,0,0|1,0,0]=2 620 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccncc2 1P01C2R7 [0,0,0,1,0,0|1,0,0]=2 621 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 1P002MD0 [0,0,0,1,0,0|0,0,0]=1 622 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccn2 1P01K8Q6 [0,0,0,1,0,0|1,0,0]=2 623 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P001T5Y [0,0,0,1,0,0|1,0,0]=2 624 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P028NSH [0,0,0,1,0,0|1,0,0]=2 625 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccncc2 1P028RE4 [0,0,0,1,0,0|1,0,0]=2 626 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 1P00CCIK [0,0,0,1,0,0|0,0,0]=1 627 B13R2.2382 O(Cc1ccccc1)CC2OC2 1P002YH3 [0,0,0,1,0,0|2,0,1]=4 628 B13R2.2382 O(Cc1ccccc1)C[C@@H]2OC2 1P007YY1 [0,0,0,1,0,0|2,0,1]=4 629 B13R2.2382 O(Cc1ccccc1)C[C@H]2OC2 1P001VNF [0,0,0,1,0,0|2,0,1]=4 630 B13R2.3122 CC1(N)CCCc2c1cccc2 1P01A5R9 [0,0,0,1,0,0|2,0,1]=4 631 B13R2.3122 CC1(N)CCCc2c1cccc2 1P01A9ND [0,0,0,1,0,0|2,0,1]=4 632 B13R2.3122 CC1(O)CCCc2c1cccc2 1P00JHF8 [0,0,0,1,0,0|1,0,1]=3 633 B13R2.3122 N=S1(=O)CCNc2c1cccc2 1P01EKML [0,0,0,1,0,0|3,0,0]=4 634 B13R2.3122 N=S1(=O)CCNc2c1cccc2 1P028CRL [0,0,0,1,0,0|3,0,0]=4 635 B13R2.3122 N=S1(=O)CCOc2c1cccc2 1P01FL8Q [0,0,0,1,0,0|3,0,0]=4 636 B13R2.3122 O=S1(=O)CCNc2c1cccc2 1P005GYB [0,0,0,1,0,0|2,0,1]=4 637 B13R2.3122 O=S1(=O)CCOc2c1cccc2 1P028L2J [0,0,0,1,0,0|2,0,1]=4 638 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,0,0,0,1,0|3,0,0]=4 639 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,0,0,0,1,0|2,0,1]=4 640 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,1,0|3,0,0]=4 641 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,0,0,0,1,0|1,0,2]=4 642 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,1,0|1,0,2]=4 643 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,0,0,0,1,0|1,0,0]=2 644 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,0,0,0,1,0|2,0,0]=3 645 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,0,0,0,1,0|2,0,0]=3 646 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,0,0,0,1,0|2,0,0]=3 647 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,0,0,0,1,0|2,0,0]=3 648 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,0,0,0,1,0|2,0,0]=3 649 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,1,0|2,0,0]=3 650 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,0,0,0,1,0|3,0,0]=4 651 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,0,0,0,1,0|3,0,0]=4 652 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,1,0|3,0,0]=4 653 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,0,0,0,1,0|2,0,0]=3 654 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,0,0,0,1,0|3,0,0]=4 655 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,0,0,0,1,0|3,0,0]=4 656 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,0,0,0,1,0|2,0,0]=3 657 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,1,0|1,0,2]=4 658 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,0,0,0,1,0|2,0,1]=4 659 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,0,0,0,1,0|2,0,1]=4 660 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,0,0,0,1,0|1,0,1]=3 661 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,0,0,0,1,0|2,0,1]=4 662 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,0,0,0,1,0|2,0,1]=4 663 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,0,0,0,1,0|2,0,1]=4 664 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,0,0,0,1,0|3,0,0]=4 665 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,0,0,0,1,0|3,0,0]=4 666 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,0,0,0,1,0|1,0,1]=3 667 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,0,0,0,1,0|2,0,1]=4 668 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,0,0,0,1,0|1,0,1]=3 669 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,0,0,0,1,0|3,0,0]=4 670 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [0,0,0,0,1,0|1,0,2]=4 671 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,0,0,0,1,0|1,0,0]=2 672 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,0,0,0,1,0|2,0,0]=3 673 B11R1.91 ClC(=O)CSc1ccncc1 1P00I5MB [0,0,0,0,1,0|3,0,0]=4 674 B11R1.91 ClC(=O)OCc1cccnc1 1P01DWJE [0,0,0,0,1,0|3,0,0]=4 675 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [0,0,0,0,1,0|1,0,2]=4 676 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,1,0|2,0,0]=3 677 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,1,0|3,0,0]=4 678 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,1,0|3,0,0]=4 679 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,1,0|3,0,0]=4 680 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,1,0|3,0,0]=4 681 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,1,0|3,0,0]=4 682 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,1,0|3,0,0]=4 683 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,1,0|3,0,0]=4 684 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,1,0|1,0,2]=4 685 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,1,0|1,0,2]=4 686 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,1,0|1,0,0]=2 687 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,0,0,0,1,0|2,0,0]=3 688 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,0,0,0,1,0|2,0,0]=3 689 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,1,0|2,0,0]=3 690 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,1,0|2,0,0]=3 691 B11R1.91 NC(=O)COc1cccnc1 1P01A97N [0,0,0,0,1,0|3,0,0]=4 692 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,1,0|2,0,0]=3 693 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,1,0|2,0,0]=3 694 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,1,0|3,0,0]=4 695 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,1,0|3,0,0]=4 696 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,1,0|3,0,0]=4 697 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,1,0|3,0,0]=4 698 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,1,0|2,0,0]=3 699 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,1,0|1,0,2]=4 700 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,1,0|1,0,2]=4 701 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,1,0|1,1,0]=3 702 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,1,0|2,1,0]=4 703 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,1,0|2,1,0]=4 704 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,1,0|2,1,0]=4 705 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,0,0,0,1,0|1,0,1]=3 706 B11R1.91 OC(=O)C#Cc1ccccc1 1P003U6Q [0,0,0,0,1,0|0,0,2]=3 707 B11R1.91 OC(=O)C#Cc1ccccn1 1P00IE9J [0,0,0,0,1,0|1,0,2]=4 708 B11R1.91 OC(=O)C#Cc1cccnc1 1P00EIWZ [0,0,0,0,1,0|1,0,2]=4 709 B11R1.91 OC(=O)C#Cc1ccncc1 1P003IM3 [0,0,0,0,1,0|1,0,2]=4 710 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [0,0,0,0,1,0|0,0,2]=3 711 B11R1.91 OC(=O)C=Cc1ccccn1 1P019V8F [0,0,0,0,1,0|1,0,2]=4 712 B11R1.91 OC(=O)C=Cc1cccnc1 1P00IL06 [0,0,0,0,1,0|1,0,2]=4 713 B11R1.91 OC(=O)C=Cc1ccncc1 1P003VDO [0,0,0,0,1,0|1,0,2]=4 714 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,0,0,0,1,0|0,0,0]=1 715 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [0,0,0,0,1,0|1,0,0]=2 716 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [0,0,0,0,1,0|1,0,0]=2 717 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [0,0,0,0,1,0|1,0,0]=2 718 B11R1.91 OC(=O)CCc1cccnn1 1P00ILVC [0,0,0,0,1,0|2,0,0]=3 719 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [0,0,0,0,1,0|1,0,0]=2 720 B11R1.91 OC(=O)CCc1ccncn1 1P0055B8 [0,0,0,0,1,0|2,0,0]=3 721 B11R1.91 OC(=O)CCc1cnccn1 1P00FDK0 [0,0,0,0,1,0|2,0,0]=3 722 B11R1.91 OC(=O)CCc1cnccn1 1P028581 [0,0,0,0,1,0|2,0,0]=3 723 B11R1.91 OC(=O)CCc1cncnc1 1P00II0L [0,0,0,0,1,0|2,0,0]=3 724 B11R1.91 OC(=O)CCc1ncccn1 1P00DEA5 [0,0,0,0,1,0|2,0,0]=3 725 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,0,0,0,1,0|1,0,0]=2 726 B11R1.91 OC(=O)CNc1ccccn1 1P00DG3D [0,0,0,0,1,0|2,0,0]=3 727 B11R1.91 OC(=O)CNc1ccccn1 1P00HCVK [0,0,0,0,1,0|2,0,0]=3 728 B11R1.91 OC(=O)CNc1cccnc1 1P00CILN [0,0,0,0,1,0|2,0,0]=3 729 B11R1.91 OC(=O)CNc1cccnc1 1P01DX0R [0,0,0,0,1,0|2,0,0]=3 730 B11R1.91 OC(=O)CNc1ccncc1 1P00DLDX [0,0,0,0,1,0|2,0,0]=3 731 B11R1.91 OC(=O)CNc1ccncc1 1P00FUIP [0,0,0,0,1,0|2,0,0]=3 732 B11R1.91 OC(=O)CNc1cnccn1 1P01DTVX [0,0,0,0,1,0|3,0,0]=4 733 B11R1.91 OC(=O)CNc1ncccn1 1P005GCW [0,0,0,0,1,0|3,0,0]=4 734 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,0,0,0,1,0|1,0,0]=2 735 B11R1.91 OC(=O)COc1ccccn1 1P00IAV5 [0,0,0,0,1,0|2,0,0]=3 736 B11R1.91 OC(=O)COc1ccccn1 1P01JV0E [0,0,0,0,1,0|2,0,0]=3 737 B11R1.91 OC(=O)COc1cccnc1 1P004LEB [0,0,0,0,1,0|2,0,0]=3 738 B11R1.91 OC(=O)COc1cccnc1 1P00DK7D [0,0,0,0,1,0|2,0,0]=3 739 B11R1.91 OC(=O)COc1ccncc1 1P00IAV4 [0,0,0,0,1,0|2,0,0]=3 740 B11R1.91 OC(=O)COc1ccncn1 1P028E5L [0,0,0,0,1,0|3,0,0]=4 741 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,0,0,0,1,0|1,0,0]=2 742 B11R1.91 OC(=O)CSc1ccccn1 1P0000S4 [0,0,0,0,1,0|2,0,0]=3 743 B11R1.91 OC(=O)CSc1ccncc1 1P003CDE [0,0,0,0,1,0|2,0,0]=3 744 B11R1.91 OC(=O)CSc1ncccn1 1P003C4M [0,0,0,0,1,0|3,0,0]=4 745 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [0,0,0,0,1,0|0,0,2]=3 746 B11R1.91 OC(=O)\C=C\c1ccccn1 1P0033WY [0,0,0,0,1,0|1,0,2]=4 747 B11R1.91 OC(=O)\C=C\c1cccnc1 1P003CH8 [0,0,0,0,1,0|1,0,2]=4 748 B11R1.91 OC(=O)\C=C\c1ccncc1 1P00I9ZU [0,0,0,0,1,0|1,0,2]=4 749 B11R1.91 OS(=O)\C=C\c1ccccc1 1P01C8KK [0,0,0,0,1,0|1,0,2]=4 750 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [0,0,0,0,1,0|0,0,3]=4 751 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,0,0,0,1,0|0,0,1]=2 752 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,0,0,0,1,0|1,0,1]=3 753 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,0,0,0,1,0|1,0,1]=3 754 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,0,0,0,1,0|1,0,1]=3 755 B11R1.91 [O-]C(=O)COc1ccccn1 1P01EKJX [0,0,0,0,1,0|2,0,1]=4 756 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [0,0,0,0,1,0|0,0,3]=4 757 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,0,0,0,1,0|1,0,1]=3 758 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,0,0,0,1,0|1,0,1]=3 759 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,1,0|1,2,0]=4 760 B11R1.172 NC(=O)NCCc1cccs1 1P008UOR [0,0,0,0,1,0|3,0,0]=4 761 B11R1.172 OC(=O)CCCc1c[nH]nc1 1P00574J [0,0,0,0,1,0|2,0,0]=3 762 B11R1.172 OC(=O)CCCc1c[nH]nn1 1P00GZ3N [0,0,0,0,1,0|3,0,0]=4 763 B11R1.172 OC(=O)CCCc1c[nH]nn1 1P01BS2F [0,0,0,0,1,0|3,0,0]=4 764 B11R1.172 OC(=O)CCCc1cccs1 1P00349F [0,0,0,0,1,0|1,0,0]=2 765 B11R1.172 OC(=O)CCCc1cncs1 1P01BA4F [0,0,0,0,1,0|2,0,0]=3 766 B11R1.172 OC(=O)CCCc1conc1 1P001HBL [0,0,0,0,1,0|2,0,0]=3 767 B11R1.172 OC(=O)CCCc1cscc1 1P001N4I [0,0,0,0,1,0|1,0,0]=2 768 B11R1.172 OC(=O)CCCc1ncco1 1P028XBO [0,0,0,0,1,0|2,0,0]=3 769 B11R1.172 OC(=O)CCCn1cccc1 1P00FHV5 [0,0,0,0,1,0|1,0,0]=2 770 B11R1.172 OC(=O)CCCn1cccn1 1P00844N [0,0,0,0,1,0|2,0,0]=3 771 B11R1.172 OC(=O)CCCn1cncc1 1P00FBIZ [0,0,0,0,1,0|2,0,0]=3 772 B11R1.172 OC(=O)CCCn1cncc1 1P00J239 [0,0,0,0,1,0|2,0,0]=3 773 B11R1.172 OC(=O)CCCn1cncn1 1P001QHH [0,0,0,0,1,0|3,0,0]=4 774 B11R1.172 OC(=O)CCCn1cncn1 1P00J1EA [0,0,0,0,1,0|3,0,0]=4 775 B11R1.172 OC(=O)CCCn1nncc1 1P01A4HR [0,0,0,0,1,0|3,0,0]=4 776 B11R1.172 OC(=O)CCCn1nncc1 1P02894M [0,0,0,0,1,0|3,0,0]=4 777 B11R1.172 OC(=O)CCNc1nccs1 1P019VUQ [0,0,0,0,1,0|3,0,0]=4 778 B11R1.172 OC(=O)COCc1nccs1 1P027V3T [0,0,0,0,1,0|3,0,0]=4 779 B11R1.172 OC(=O)CSCc1ccco1 1P0058Y9 [0,0,0,0,1,0|2,0,0]=3 780 B11R1.172 OC(=O)CSCc1cccs1 1P00DIYK [0,0,0,0,1,0|2,0,0]=3 781 B11R1.172 OC(=O)CSCc1cscc1 1P00AMTU [0,0,0,0,1,0|2,0,0]=3 782 B11R1.172 OC(=O)CSCc1cscn1 1P01A26T [0,0,0,0,1,0|3,0,0]=4 783 B11R1.172 OC(=O)CSCc1cscn1 1P01A2CJ [0,0,0,0,1,0|3,0,0]=4 784 B11R1.172 OC(=O)CSCc1ncc[nH]1 1P01AHMS [0,0,0,0,1,0|3,0,0]=4 785 B11R1.172 [O-]C(=O)CCCc1nccs1 1P01B9DL [0,0,0,0,1,0|2,0,1]=4 786 B11R1.172 [O-]C(=O)COCc1ccco1 1P019XKV [0,0,0,0,1,0|2,0,1]=4 787 B13R1.337 CC(=O)CCCCc1ccccc1 1P001HE7 [0,0,0,0,0,1|1,0,0]=2 788 B13R1.337 CC(=O)CCNCc1ccccc1 1P00IDVP [0,0,0,0,0,1|1,0,0]=2 789 B13R1.337 CC(=O)CCOCc1ccccc1 1P003L9S [0,0,0,0,0,1|1,0,0]=2 790 B13R1.337 CC(=O)OCCCc1ccccc1 1P00170Q [0,0,0,0,0,1|1,0,0]=2 791 B13R1.337 CC(=O)OCCOc1ccccc1 1P003O3A [0,0,0,0,0,1|2,0,0]=3 792 B13R1.337 CC(=O)OC\C=C\c1ccccc1 1P00HADD [0,0,0,0,0,1|1,0,2]=4 793 B13R1.337 CC(CCNCc1ccccc1)C 1P00E08O [0,0,0,0,0,1|2,0,1]=4 794 B13R1.337 CC(CCNCc1ccccc1)C 1P01S7X8 [0,0,0,0,0,1|2,0,1]=4 795 B13R1.337 CC(CCOCc1ccccc1)N 1P01BBSD [0,0,0,0,0,1|2,0,1]=4 796 B13R1.337 CC(CCOCc1ccccc1)O 1P00DOW1 [0,0,0,0,0,1|1,0,1]=3 797 B13R1.337 CC(NCCCc1ccccc1)C 1P00J24P [0,0,0,0,0,1|2,0,1]=4 798 B13R1.337 CN(CCNCc1ccccc1)C 1P003T8R [0,0,0,0,0,1|3,0,0]=4 799 B13R1.337 C[C@@H](CCOCc1ccccc1)N 1P0293R4 [0,0,0,0,0,1|2,0,1]=4 800 B13R1.337 C[C@@H](CCOCc1ccccc1)O 1P008PC2 [0,0,0,0,0,1|1,0,1]=3 801 B13R1.337 ClC(=O)CCOCc1ccccc1 1P00D6MI [0,0,0,0,0,1|1,0,0]=2 802 B13R1.337 ClC(=O)OCCCc1ccccc1 1P028B1G [0,0,0,0,0,1|1,0,0]=2 803 B13R1.337 ClC(=O)OCCOc1ccccc1 1P00BXS4 [0,0,0,0,0,1|2,0,0]=3 804 B13R1.337 FC(CNCCc1ccccc1)F 1P00JGHJ [0,0,0,0,0,1|2,0,1]=4 805 B13R1.337 NC(=N)CCCOc1ccccc1 1P019Y1A [0,0,0,0,0,1|2,0,0]=3 806 B13R1.337 NC(=O)CCNCc1ccccc1 1P001VL2 [0,0,0,0,0,1|1,0,0]=2 807 B13R1.337 NC(=O)NCCCc1ccccc1 1P01AAW5 [0,0,0,0,0,1|1,0,0]=2 808 B13R1.337 NC(=O)OCCCc1ccccc1 1P01E9L7 [0,0,0,0,0,1|1,0,0]=2 809 B13R1.337 NC(=S)NCCCc1ccccc1 1P00GVTG [0,0,0,0,0,1|1,1,0]=3 810 B13R1.337 OC(=O)C#CCCc1ccccc1 1P027TV1 [0,0,0,0,0,1|0,0,1]=2 811 B13R1.337 OC(=O)C#CCOc1ccccc1 1P01G9JH [0,0,0,0,0,1|0,0,2]=3 812 B13R1.337 OC(=O)C=CC=Cc1ccccc1 1P001O6H [0,0,0,0,0,1|0,0,3]=4 813 B13R1.337 OC(=O)C=NOCc1ccccc1 1P008OPA [0,0,0,0,0,1|1,0,1]=3 814 B13R1.337 OC(=O)CC=CCc1ccccc1 1P0292AF [0,0,0,0,0,1|0,0,1]=2 815 B13R1.337 OC(=O)CCC#Cc1ccccc1 1P007FG8 [0,0,0,0,0,1|0,0,1]=2 816 B13R1.337 OC(=O)CCCCc1ccccc1 1P003NF4 [0,0,0,0,0,1|0,0,0]=1 817 B13R1.337 OC(=O)CCCCc1cccnc1 1P01DTQ6 [0,0,0,0,0,1|1,0,0]=2 818 B13R1.337 OC(=O)CCCCc1ccncc1 1P0048FK [0,0,0,0,0,1|1,0,0]=2 819 B13R1.337 OC(=O)CCCNc1ccccc1 1P0008Y2 [0,0,0,0,0,1|0,0,0]=1 820 B13R1.337 OC(=O)CCCNc1ncccn1 1P00BOFI [0,0,0,0,0,1|2,0,0]=3 821 B13R1.337 OC(=O)CCCOc1ccccc1 1P003MFH [0,0,0,0,0,1|0,0,0]=1 822 B13R1.337 OC(=O)CCCOc1cccnc1 1P019TFI [0,0,0,0,0,1|1,0,0]=2 823 B13R1.337 OC(=O)CCCSc1ccccc1 1P0025S7 [0,0,0,0,0,1|0,0,0]=1 824 B13R1.337 OC(=O)CCNCc1ccccc1 1P00D9Z4 [0,0,0,0,0,1|0,0,0]=1 825 B13R1.337 OC(=O)CCNCc1ccccc1 1P00J3Y1 [0,0,0,0,0,1|0,0,0]=1 826 B13R1.337 OC(=O)CCNCc1ccccn1 1P019VGL [0,0,0,0,0,1|1,0,0]=2 827 B13R1.337 OC(=O)CCNCc1cccnc1 1P00J1R5 [0,0,0,0,0,1|1,0,0]=2 828 B13R1.337 OC(=O)CCNCc1cccnc1 1P01AAEY [0,0,0,0,0,1|1,0,0]=2 829 B13R1.337 OC(=O)CCNCc1ccncc1 1P019VGQ [0,0,0,0,0,1|1,0,0]=2 830 B13R1.337 OC(=O)CCOCc1ccccc1 1P003AC3 [0,0,0,0,0,1|0,0,0]=1 831 B13R1.337 OC(=O)CCSCc1ccccc1 1P002VLI [0,0,0,0,0,1|0,0,0]=1 832 B13R1.337 OC(=O)CCSCc1ccccn1 1P019WFV [0,0,0,0,0,1|1,0,0]=2 833 B13R1.337 OC(=O)CCSSc1ccccn1 1P005PPI [0,0,0,0,0,1|2,0,0]=3 834 B13R1.337 OC(=O)CC\C=C\c1ccccc1 1P0027BM [0,0,0,0,0,1|0,0,1]=2 835 B13R1.337 OC(=O)CNCCc1ccccc1 1P01AI5G [0,0,0,0,0,1|0,0,0]=1 836 B13R1.337 OC(=O)COCCc1ccccc1 1P008LA5 [0,0,0,0,0,1|0,0,0]=1 837 B13R1.337 OC(=O)CSCCc1ccccc1 1P019L1R [0,0,0,0,0,1|0,0,0]=1 838 B13R1.337 OC(=O)C\C=C\Cc1ccccc1 1P01B6SR [0,0,0,0,0,1|0,0,1]=2 839 B13R1.337 OC(=O)\C=C/SCc1ccccc1 1P0018ZG [0,0,0,0,0,1|0,0,2]=3 840 B13R1.337 OC(=O)\C=C\C=C\c1ccccc1 1P007MB3 [0,0,0,0,0,1|0,0,3]=4 841 B13R1.337 OC(=O)\C=C\CCc1ccccc1 1P00DTE7 [0,0,0,0,0,1|0,0,1]=2 842 B13R1.337 OC(=O)\C=C\COc1ccccc1 1P01EMNN [0,0,0,0,0,1|0,0,2]=3 843 B13R1.337 OC(=O)\C=C\OCc1ccccc1 1P000XU1 [0,0,0,0,0,1|0,0,2]=3 844 B13R1.337 OC(=S)CCCOc1ccccc1 1P005LKD [0,0,0,0,0,1|0,1,0]=2 845 B10R1.17 BrCCCc1ccccc1 1P003EL3 [2,0,0,0,0,0|1,0,0]=3 846 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [2,0,0,0,0,0|2,0,0]=4 847 B10R1.17 BrCCCc1ccncc1 1P01A6KW [2,0,0,0,0,0|2,0,0]=4 848 B10R1.17 BrCCOc1ccccc1 1P003IB5 [2,0,0,0,0,0|2,0,0]=4 849 B10R1.17 BrCCSc1ccccc1 1P003H8K [2,0,0,0,0,0|2,0,0]=4 850 B10R1.17 BrCOCc1ccccc1 1P0025GN [2,0,0,0,0,0|2,0,0]=4 851 B10R1.17 C=CCCc1ccccc1 1P003MFS [2,0,0,0,0,0|0,0,1]=3 852 B10R1.17 C=CCCc1ccccn1 1P002M25 [2,0,0,0,0,0|1,0,1]=4 853 B10R1.17 C=CCCc1cccnc1 1P00663U [2,0,0,0,0,0|1,0,1]=4 854 B10R1.17 C=CCNc1ccccc1 1P003T6A [2,0,0,0,0,0|1,0,1]=4 855 B10R1.17 C=CCOc1ccccc1 1P00209R [2,0,0,0,0,0|1,0,1]=4 856 B10R1.17 C=CCSc1ccccc1 1P003O6K [2,0,0,0,0,0|1,0,1]=4 857 B10R1.17 C=COCc1ccccc1 1P003AEJ [2,0,0,0,0,0|1,0,1]=4 858 B10R1.17 C=NOCc1ccccc1 1P027KVW [2,0,0,0,0,0|2,0,0]=4 859 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [2,0,0,0,0,0|1,0,1]=4 860 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [2,0,0,0,0,0|1,0,1]=4 861 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [2,0,0,0,0,0|1,0,1]=4 862 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [2,0,0,0,0,0|1,0,1]=4 863 B10R1.17 CCCC[n+]1ccccc1 1P007726 [2,0,0,0,0,0|1,0,1]=4 864 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [2,0,0,0,0,0|1,0,1]=4 865 B10R1.17 CCCCc1ccccc1 1P003P2W [2,0,0,0,0,0|0,0,1]=3 866 B10R1.17 CCCCc1ccccn1 1P01FFM0 [2,0,0,0,0,0|1,0,1]=4 867 B10R1.17 CCCCc1cccnc1 1P00343V [2,0,0,0,0,0|1,0,1]=4 868 B10R1.17 CCCCc1ccncc1 1P00I9ZL [2,0,0,0,0,0|1,0,1]=4 869 B10R1.17 CCCNc1ccccc1 1P003TSL [2,0,0,0,0,0|1,0,1]=4 870 B10R1.17 CCCOc1ccccc1 1P00E98Z [2,0,0,0,0,0|1,0,1]=4 871 B10R1.17 CCNCc1ccccc1 1P003TGS [2,0,0,0,0,0|1,0,1]=4 872 B10R1.17 CNCCc1ccccc1 1P003TP4 [2,0,0,0,0,0|1,0,1]=4 873 B10R1.17 CNCCc1ccccc1 1P00CJS7 [2,0,0,0,0,0|1,0,1]=4 874 B10R1.17 COCCc1ccccc1 1P003C4E [2,0,0,0,0,0|1,0,1]=4 875 B10R1.17 ClCCCc1ccccc1 1P003BI4 [2,0,0,0,0,0|1,0,0]=3 876 B10R1.17 ClCCCc1ccccn1 1P01A6KY [2,0,0,0,0,0|2,0,0]=4 877 B10R1.17 ClCCCc1cccnc1 1P002L24 [2,0,0,0,0,0|2,0,0]=4 878 B10R1.17 ClCCCc1ccncc1 1P00AKXB [2,0,0,0,0,0|2,0,0]=4 879 B10R1.17 ClCCNc1ccccc1 1P01DXCM [2,0,0,0,0,0|2,0,0]=4 880 B10R1.17 ClCCNc1ccccc1 1P0280C1 [2,0,0,0,0,0|2,0,0]=4 881 B10R1.17 ClCCOc1ccccc1 1P00IBGC [2,0,0,0,0,0|2,0,0]=4 882 B10R1.17 ClCCSc1ccccc1 1P003C3J [2,0,0,0,0,0|2,0,0]=4 883 B10R1.17 ClCOCc1ccccc1 1P0034YY [2,0,0,0,0,0|2,0,0]=4 884 B10R1.17 ClCSCc1ccccc1 1P003OKP [2,0,0,0,0,0|2,0,0]=4 885 B10R1.17 ICCCc1ccccc1 1P003EWA [2,0,0,0,0,0|1,0,0]=3 886 B10R1.17 ICCOc1ccccc1 1P00C6JI [2,0,0,0,0,0|2,0,0]=4 887 B10R1.17 N#CCCc1ccccc1 1P003KCJ [2,0,0,0,0,0|1,0,1]=4 888 B10R1.17 NCCCc1ccccc1 1P0029L7 [2,0,0,0,0,0|1,0,0]=3 889 B10R1.17 NCCCc1ccccn1 1P001OQL [2,0,0,0,0,0|2,0,0]=4 890 B10R1.17 NCCCc1ccccn1 1P01DW4S [2,0,0,0,0,0|2,0,0]=4 891 B10R1.17 NCCCc1cccnc1 1P003IJD [2,0,0,0,0,0|2,0,0]=4 892 B10R1.17 NCCCc1cccnc1 1P00G3KB [2,0,0,0,0,0|2,0,0]=4 893 B10R1.17 NCCCc1cccnc1 1P00GW1W [2,0,0,0,0,0|2,0,0]=4 894 B10R1.17 NCCCc1ccncc1 1P0030W7 [2,0,0,0,0,0|2,0,0]=4 895 B10R1.17 NCCNc1ccccc1 1P001X6L [2,0,0,0,0,0|2,0,0]=4 896 B10R1.17 NCCOc1ccccc1 1P0021OC [2,0,0,0,0,0|2,0,0]=4 897 B10R1.17 NCCOc1ccccc1 1P0027L1 [2,0,0,0,0,0|2,0,0]=4 898 B10R1.17 NCCSc1ccccc1 1P002DUS [2,0,0,0,0,0|2,0,0]=4 899 B10R1.17 NCCSc1ccccc1 1P00J3FE [2,0,0,0,0,0|2,0,0]=4 900 B10R1.17 NNCCc1ccccc1 1P001OVR [2,0,0,0,0,0|2,0,0]=4 901 B10R1.17 NNCCc1ccccc1 1P00B63Y [2,0,0,0,0,0|2,0,0]=4 902 B10R1.17 NNCCc1ccccc1 1P00DB0J [2,0,0,0,0,0|2,0,0]=4 903 B10R1.17 NNCCc1ccccc1 1P00I9LM [2,0,0,0,0,0|2,0,0]=4 904 B10R1.17 NOCCc1ccccc1 1P0071ZN [2,0,0,0,0,0|2,0,0]=4 905 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [2,0,0,0,0,0|1,0,1]=4 906 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [2,0,0,0,0,0|0,0,2]=4 907 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [2,0,0,0,0,0|0,0,2]=4 908 B10R1.17 O=CCCc1ccccc1 1P003RFA [2,0,0,0,0,0|0,0,0]=2 909 B10R1.17 O=CCCc1ccccn1 1P00BGWO [2,0,0,0,0,0|1,0,0]=3 910 B10R1.17 O=CCCc1cccnc1 1P00228Y [2,0,0,0,0,0|1,0,0]=3 911 B10R1.17 O=CCCc1ccncc1 1P0075XB [2,0,0,0,0,0|1,0,0]=3 912 B10R1.17 O=CCOc1ccccc1 1P007P8S [2,0,0,0,0,0|1,0,0]=3 913 B10R1.17 O=CCOc1ccccn1 1P01C7JG [2,0,0,0,0,0|2,0,0]=4 914 B10R1.17 O=CNCc1ccccc1 1P003T8E [2,0,0,0,0,0|1,0,0]=3 915 B10R1.17 O=CNNc1ccccc1 1P00IBGB [2,0,0,0,0,0|2,0,0]=4 916 B10R1.17 O=COCc1ccccc1 1P008RMC [2,0,0,0,0,0|1,0,0]=3 917 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [2,0,0,0,0,0|0,0,1]=3 918 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [2,0,0,0,0,0|0,0,2]=4 919 B10R1.17 OCC#Cc1ccccc1 1P001N1G [2,0,0,0,0,0|0,0,2]=4 920 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [2,0,0,0,0,0|0,0,2]=4 921 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [2,0,0,0,0,0|0,0,2]=4 922 B10R1.17 OCCCc1ccccc1 1P00170B [2,0,0,0,0,0|0,0,0]=2 923 B10R1.17 OCCCc1ccccn1 1P002W8D [2,0,0,0,0,0|1,0,0]=3 924 B10R1.17 OCCCc1ccccn1 1P003II3 [2,0,0,0,0,0|1,0,0]=3 925 B10R1.17 OCCCc1cccnc1 1P002W8E [2,0,0,0,0,0|1,0,0]=3 926 B10R1.17 OCCCc1ccncc1 1P002T2T [2,0,0,0,0,0|1,0,0]=3 927 B10R1.17 OCCCc1ccncn1 1P007B3A [2,0,0,0,0,0|2,0,0]=4 928 B10R1.17 OCCNc1ccccc1 1P00170A [2,0,0,0,0,0|1,0,0]=3 929 B10R1.17 OCCNc1ccccn1 1P00GWAF [2,0,0,0,0,0|2,0,0]=4 930 B10R1.17 OCCNc1ccccn1 1P01F2SN [2,0,0,0,0,0|2,0,0]=4 931 B10R1.17 OCCNc1cccnc1 1P028RNR [2,0,0,0,0,0|2,0,0]=4 932 B10R1.17 OCCNc1ccncc1 1P002G57 [2,0,0,0,0,0|2,0,0]=4 933 B10R1.17 OCCOc1ccccc1 1P0033W0 [2,0,0,0,0,0|1,0,0]=3 934 B10R1.17 OCCOc1cccnc1 1P000QDL [2,0,0,0,0,0|2,0,0]=4 935 B10R1.17 OCCSc1ccccc1 1P003FKS [2,0,0,0,0,0|1,0,0]=3 936 B10R1.17 OCCSc1ccccn1 1P008PC7 [2,0,0,0,0,0|2,0,0]=4 937 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [2,0,0,0,0,0|0,0,2]=4 938 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [2,0,0,0,0,0|0,0,2]=4 939 B10R1.17 ONCCc1ccccc1 1P00CZ3B [2,0,0,0,0,0|1,0,0]=3 940 B10R1.17 SCCCc1ccccc1 1P002PQQ [2,0,0,0,0,0|0,1,0]=3 941 B10R1.17 SCCCc1ccncc1 1P00CEFN [2,0,0,0,0,0|1,1,0]=4 942 B10R1.17 SCCOc1ccccc1 1P0037FU [2,0,0,0,0,0|1,1,0]=4 943 B10R1.17 SCCSc1ccccc1 1P00ALQK [2,0,0,0,0,0|1,1,0]=4 944 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [2,0,0,0,0,0|1,0,1]=4 945 B12R1.1 BrCCCCc1ccc(cc1)Br 1P0046QW [1,1,0,0,0,0|1,0,1]=4 946 B12R1.1 BrCCCCc1ccc(cc1)C 1P01JMNG [1,1,0,0,0,0|1,0,1]=4 947 B12R1.1 BrCCCCc1ccc(cc1)Cl 1P01DW6J [1,1,0,0,0,0|1,0,1]=4 948 B12R1.1 BrCCCCc1ccc(cc1)F 1P0040AL [1,1,0,0,0,0|1,0,1]=4 949 B12R1.1 C=CCCCc1ccc(cc1)Br 1P01EMLH [1,1,0,0,0,0|1,0,0]=3 950 B12R1.1 C=CCCOc1ccc(cc1)Br 1P01A6FI [1,1,0,0,0,0|2,0,0]=4 951 B12R1.1 C=CCCOc1ccc(cc1)Cl 1P01C5C5 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.1 C=CCCOc1ccc(cc1)I 1P0251IW [1,1,0,0,0,0|2,0,0]=4 953 B12R1.1 C=CCNCc1ccc(cc1)Br 1P006OPM [1,1,0,0,0,0|2,0,0]=4 954 B12R1.1 C=CCNCc1ccc(cc1)Br 1P00J4HY [1,1,0,0,0,0|2,0,0]=4 955 B12R1.1 C=CCNCc1ccc(cc1)C 1P008EYC [1,1,0,0,0,0|2,0,0]=4 956 B12R1.1 C=CCNCc1ccc(cc1)C 1P00J4FF [1,1,0,0,0,0|2,0,0]=4 957 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00FC9A [1,1,0,0,0,0|2,0,0]=4 958 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00J4H4 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.1 C=CCNCc1ccc(cc1)F 1P0045MS [1,1,0,0,0,0|2,0,0]=4 960 B12R1.1 CCCCCc1ccc(cc1)Br 1P003MF5 [1,1,0,0,0,0|1,0,1]=4 961 B12R1.1 CCCCCc1ccc(cc1)F 1P002W82 [1,1,0,0,0,0|1,0,1]=4 962 B12R1.1 CCCCCc1ccc(cc1)N 1P003MF2 [1,1,0,0,0,0|1,0,1]=4 963 B12R1.1 CCCCCc1ccc(cc1)O 1P001M3J [1,1,0,0,0,0|1,0,1]=4 964 B12R1.1 CNCCCc1ccc(cc1)Br 1P01G05E [1,1,0,0,0,0|2,0,0]=4 965 B12R1.1 ClCCCCc1ccc(cc1)F 1P00DK3R [1,1,0,0,0,0|1,0,1]=4 966 B12R1.1 ICCCCc1ccc(cc1)Br 1P01JMLM [1,1,0,0,0,0|1,0,1]=4 967 B12R1.1 ICCCCc1ccc(cc1)F 1P01JMMT [1,1,0,0,0,0|1,0,1]=4 968 B12R1.1 NCCCCc1ccc(cc1)Br 1P01JMFR [1,1,0,0,0,0|1,0,1]=4 969 B12R1.1 NCCCCc1ccc(cc1)Br 1P027XS3 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.1 NCCCCc1ccc(cc1)Cl 1P00ER2D [1,1,0,0,0,0|1,0,1]=4 971 B12R1.1 NCCCCc1ccc(cc1)Cl 1P0289K9 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.1 NCCCCc1ccc(cc1)F 1P001LTZ [1,1,0,0,0,0|1,0,1]=4 973 B12R1.1 NCCCCc1ccc(cc1)O 1P006ZWJ [1,1,0,0,0,0|1,0,1]=4 974 B12R1.1 NCCCCc1ccc(cc1)O 1P02010K [1,1,0,0,0,0|1,0,1]=4 975 B12R1.1 O=C=NCCc1ccc(cc1)Br 1P01FM74 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.1 O=C=NCCc1ccc(cc1)C 1P01B34Y [1,1,0,0,0,0|1,0,1]=4 977 B12R1.1 O=C=NCCc1ccc(cc1)Cl 1P003LOD [1,1,0,0,0,0|1,0,1]=4 978 B12R1.1 OCCCCc1ccc(cc1)Br 1P005HTC [1,1,0,0,0,0|0,0,1]=3 979 B12R1.1 OCCCCc1ccc(cc1)F 1P00JSHV [1,1,0,0,0,0|0,0,1]=3 980 B12R1.1 OCCCCc1ccc(cc1)N 1P006DSA [1,1,0,0,0,0|0,0,1]=3 981 B12R1.1 OCCCCc1ccc(cc1)O 1P00GRT6 [1,1,0,0,0,0|0,0,1]=3 982 B12R1.1 OCCCNc1ccc(cc1)Cl 1P01C2XK [1,1,0,0,0,0|1,0,1]=4 983 B12R1.1 OCCCOc1ccc(cc1)Br 1P006302 [1,1,0,0,0,0|1,0,1]=4 984 B12R1.1 OCCCOc1ccc(cc1)F 1P00HAT2 [1,1,0,0,0,0|1,0,1]=4 985 B12R1.1 OCCCOc1ccc(cc1)N 1P01BAZZ [1,1,0,0,0,0|1,0,1]=4 986 B12R1.1 OCCCSc1ccc(cc1)N 1P01ABM7 [1,1,0,0,0,0|1,0,1]=4 987 B12R1.1 OCCNCc1ccc(cc1)Br 1P008NF2 [1,1,0,0,0,0|1,0,1]=4 988 B12R1.1 OCCNCc1ccc(cc1)C 1P0075HK [1,1,0,0,0,0|1,0,1]=4 989 B12R1.1 OCCNCc1ccc(cc1)Cl 1P00C9FX [1,1,0,0,0,0|1,0,1]=4 990 B12R1.1 OCCNCc1ccc(cc1)Cl 1P01BDQU [1,1,0,0,0,0|1,0,1]=4 991 B12R1.1 OCCNCc1ccc(cc1)F 1P0091ET [1,1,0,0,0,0|1,0,1]=4 992 B12R1.1 OCCNCc1ccc(cc1)F 1P00BCRT [1,1,0,0,0,0|1,0,1]=4 993 B12R1.1 OCCNCc1ccc(cc1)N 1P0024ZK [1,1,0,0,0,0|1,0,1]=4 994 B12R1.1 OCCOCc1ccc(cc1)N 1P01C4AT [1,1,0,0,0,0|1,0,1]=4 995 B12R1.1 OCCSCc1ccc(cc1)C 1P0043SC [1,1,0,0,0,0|1,0,1]=4 996 B12R1.1 O\C=N\CCc1ccc(cc1)F 1P003LWG [1,1,0,0,0,0|1,0,0]=3 997 B12R1.8 BrCCCCCc1ccccc1 1P001KHB [1,1,0,0,0,0|1,0,1]=4 998 B12R1.8 BrCCCCOc1ccccc1 1P000QHU [1,1,0,0,0,0|1,0,1]=4 999 B12R1.8 BrCCCOCc1ccccc1 1P003OKC [1,1,0,0,0,0|1,0,1]=4 1000 B12R1.8 BrCCCSCc1ccccc1 1P004EIO [1,1,0,0,0,0|1,0,1]=4 1001 B12R1.8 C#CCCCSc1ccccc1 1P008LOM [1,1,0,0,0,0|1,0,1]=4 1002 B12R1.8 C#CCCOCc1ccccc1 1P01G7ER [1,1,0,0,0,0|1,0,1]=4 1003 B12R1.8 C=CCCNCc1ccccc1 1P00785Y [1,1,0,0,0,0|1,0,0]=3 1004 B12R1.8 C=CCCOCc1ccccc1 1P0069TJ [1,1,0,0,0,0|1,0,0]=3 1005 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [1,1,0,0,0,0|1,0,0]=3 1006 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [1,1,0,0,0,0|1,0,0]=3 1007 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [1,1,0,0,0,0|1,0,1]=4 1008 B12R1.8 CCCCCNc1ccccc1 1P002U4M [1,1,0,0,0,0|1,0,1]=4 1009 B12R1.8 CCCCCOc1ccccc1 1P00BVIQ [1,1,0,0,0,0|1,0,1]=4 1010 B12R1.8 CCCCCSc1ccccc1 1P007S00 [1,1,0,0,0,0|1,0,1]=4 1011 B12R1.8 CCCCNCc1ccccc1 1P003T8S [1,1,0,0,0,0|1,0,1]=4 1012 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [1,1,0,0,0,0|1,0,1]=4 1013 B12R1.8 CCNCCCc1ccccc1 1P009K28 [1,1,0,0,0,0|1,0,1]=4 1014 B12R1.8 CNCCCCc1ccccc1 1P00B8FJ [1,1,0,0,0,0|1,0,1]=4 1015 B12R1.8 CNCCCCc1ccccc1 1P00D6N4 [1,1,0,0,0,0|1,0,1]=4 1016 B12R1.8 CNCCCNc1ccccc1 1P01A8EZ [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.8 CNCCCOc1ccccc1 1P001156 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.8 CNCCCSc1ccccc1 1P00J4FT [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.8 CNCCNCc1ccccc1 1P00EA7F [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.8 CNCCNCc1ccccc1 1P028WW3 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.8 CNCCOCc1ccccc1 1P005XT2 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.8 CNCCOCc1ccccc1 1P00FXY6 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.8 COCCNCc1ccccc1 1P00DL1O [1,1,0,0,0,0|1,0,1]=4 1024 B12R1.8 COCCNCc1ccccc1 1P01EJJB [1,1,0,0,0,0|1,0,1]=4 1025 B12R1.8 ClCCCCCc1ccccc1 1P001PVB [1,1,0,0,0,0|1,0,1]=4 1026 B12R1.8 ClCCCCOc1ccccc1 1P002TZC [1,1,0,0,0,0|1,0,1]=4 1027 B12R1.8 ClCCCOCc1ccccc1 1P002TLA [1,1,0,0,0,0|1,0,1]=4 1028 B12R1.8 N#CCCNCc1ccccc1 1P003IN2 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.8 N#CCCOCc1ccccc1 1P00IBNF [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.8 NCCCCCc1ccccc1 1P0025Q4 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.8 NCCCCCc1ccccc1 1P0289DF [1,1,0,0,0,0|1,0,1]=4 1032 B12R1.8 NCCCCNc1ccccc1 1P024VNT [1,1,0,0,0,0|1,0,1]=4 1033 B12R1.8 NCCCCOc1ccccc1 1P001XQ8 [1,1,0,0,0,0|1,0,1]=4 1034 B12R1.8 NCCCCOc1ccccc1 1P00IBRX [1,1,0,0,0,0|1,0,1]=4 1035 B12R1.8 NCCCNCc1ccccc1 1P001AQL [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.8 NCCCOCc1ccccc1 1P001XQ9 [1,1,0,0,0,0|1,0,1]=4 1037 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.8 NNCCCOc1ccccc1 1P01ABBF [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.8 NNCCOCc1ccccc1 1P01BVVI [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.8 NOCCOCc1ccccc1 1P001AGY [1,1,0,0,0,0|1,0,1]=4 1041 B12R1.8 O=C=NCCCc1ccccc1 1P003KCL [1,1,0,0,0,0|0,0,1]=3 1042 B12R1.8 O=C=NCCOc1ccccc1 1P01AS0S [1,1,0,0,0,0|1,0,1]=4 1043 B12R1.8 O=CCCCOc1ccccc1 1P002BM4 [1,1,0,0,0,0|0,0,0]=2 1044 B12R1.8 O=CCCOCc1ccccc1 1P002BM5 [1,1,0,0,0,0|0,0,0]=2 1045 B12R1.8 O=COC\C=C\c1ccccc1 1P007Y6B [1,1,0,0,0,0|0,0,2]=4 1046 B12R1.8 OCC=CCCc1ccccc1 1P028X9L [1,1,0,0,0,0|0,0,1]=3 1047 B12R1.8 OCCCC#Cc1ccccc1 1P002P5M [1,1,0,0,0,0|0,0,2]=4 1048 B12R1.8 OCCCCCc1ccccc1 1P003NF3 [1,1,0,0,0,0|0,0,1]=3 1049 B12R1.8 OCCCCOc1ccccc1 1P007RNF [1,1,0,0,0,0|0,0,1]=3 1050 B12R1.8 OCCCNCc1ccccc1 1P003IN1 [1,1,0,0,0,0|0,0,1]=3 1051 B12R1.8 OCCCNCc1ccccc1 1P00J3Y4 [1,1,0,0,0,0|0,0,1]=3 1052 B12R1.8 OCCCNCc1ccccn1 1P005Y1C [1,1,0,0,0,0|1,0,1]=4 1053 B12R1.8 OCCCNCc1cccnc1 1P005LGY [1,1,0,0,0,0|1,0,1]=4 1054 B12R1.8 OCCCNCc1cccnc1 1P00J4KP [1,1,0,0,0,0|1,0,1]=4 1055 B12R1.8 OCCCNCc1ccncc1 1P0065EX [1,1,0,0,0,0|1,0,1]=4 1056 B12R1.8 OCCCNCc1ccncc1 1P00J4I9 [1,1,0,0,0,0|1,0,1]=4 1057 B12R1.8 OCCCNCc1ccncc1 1P028U4F [1,1,0,0,0,0|1,0,1]=4 1058 B12R1.8 OCCCOCc1ccccc1 1P003JFE [1,1,0,0,0,0|0,0,1]=3 1059 B12R1.8 OCCCSCc1ccccc1 1P01AC5V [1,1,0,0,0,0|0,0,1]=3 1060 B12R1.8 OCCC\C=C\c1ccccc1 1P000ZXO [1,1,0,0,0,0|0,0,2]=4 1061 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [1,1,0,0,0,0|0,0,1]=3 1062 B12R1.8 OCCOCCc1ccccc1 1P005HXR [1,1,0,0,0,0|0,0,1]=3 1063 B12R1.8 OCCSCCc1ccccn1 1P00C2L8 [1,1,0,0,0,0|1,0,1]=4 1064 B12R1.8 OCCSCCc1ccncc1 1P005P10 [1,1,0,0,0,0|1,0,1]=4 1065 B12R1.8 [C-]#[N+]CCOCc1ccccc1 1P0285NV [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 1P019U5R [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [1,1,0,0,0,0|1,0,1]=4 1068 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [1,1,0,0,0,0|0,0,0]=2 1069 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [1,1,0,0,0,0|1,0,0]=3 1070 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [1,1,0,0,0,0|0,0,1]=3 1072 B12R1.27 OCC(CCc1ccncc1)N 1P01EMY7 [1,1,0,0,0,0|1,0,1]=4 1073 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [1,1,0,0,0,0|1,0,1]=4 1074 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [1,1,0,0,0,0|0,0,1]=3 1078 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [1,1,0,0,0,0|1,0,1]=4 1079 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [1,1,0,0,0,0|1,0,1]=4 1080 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [1,1,0,0,0,0|1,0,1]=4 1081 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [1,1,0,0,0,0|0,0,1]=3 1082 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [1,1,0,0,0,0|1,0,1]=4 1083 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.28 BrCCCCc1cccc(c1)Br 1P01JMO8 [1,1,0,0,0,0|1,0,1]=4 1086 B12R1.28 BrCCCCc1cccc(c1)C 1P01JMO0 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.28 BrCCCCc1cccc(c1)Cl 1P01B7XZ [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.28 BrCCCCc1cccc(c1)F 1P01JMLO [1,1,0,0,0,0|1,0,1]=4 1089 B12R1.28 C#CCCCc1cccc(c1)Br 1P028P8N [1,1,0,0,0,0|1,0,1]=4 1090 B12R1.28 C=CCCOc1cccc(c1)N 1P01ACQR [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.28 C=CCNCc1cccc(c1)Br 1P00J4K9 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.28 C=CCNCc1cccc(c1)F 1P00JU2B [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.28 CCCCCc1cccc(c1)F 1P002W83 [1,1,0,0,0,0|1,0,1]=4 1094 B12R1.28 CCCCCc1cccc(c1)O 1P002DAK [1,1,0,0,0,0|1,0,1]=4 1095 B12R1.28 CNCCCc1cccc(c1)Cl 1P01S7LU [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.28 NCCCCc1cccc(c1)Cl 1P01JMGB [1,1,0,0,0,0|1,0,1]=4 1097 B12R1.28 NCCCCc1cccc(c1)F 1P01JMFH [1,1,0,0,0,0|1,0,1]=4 1098 B12R1.28 O=C=NCCc1cccc(c1)Cl 1P003JRQ [1,1,0,0,0,0|1,0,1]=4 1099 B12R1.28 O=CCCOc1cccc(c1)I 1P01ACTA [1,1,0,0,0,0|1,0,0]=3 1100 B12R1.28 OCCCCc1cccc(c1)Br 1P01A00E [1,1,0,0,0,0|0,0,1]=3 1101 B12R1.28 OCCCCc1cccc(c1)Cl 1P01B7CS [1,1,0,0,0,0|0,0,1]=3 1102 B12R1.28 OCCCOc1cccc(c1)Br 1P01AIZM [1,1,0,0,0,0|1,0,1]=4 1103 B12R1.28 OCCCOc1cccc(c1)F 1P00HT99 [1,1,0,0,0,0|1,0,1]=4 1104 B12R1.28 OCCCOc1cccc(c1)I 1P01A7GC [1,1,0,0,0,0|1,0,1]=4 1105 B12R1.28 OCCNCc1cccc(c1)Br 1P01BE8Z [1,1,0,0,0,0|1,0,1]=4 1106 B12R1.28 OCCNCc1cccc(c1)C 1P01BE33 [1,1,0,0,0,0|1,0,1]=4 1107 B12R1.28 OCCNCc1cccc(c1)Cl 1P00F7Q2 [1,1,0,0,0,0|1,0,1]=4 1108 B12R1.28 OCCNCc1cccc(c1)Cl 1P01BE34 [1,1,0,0,0,0|1,0,1]=4 1109 B12R1.28 OCCNCc1cccc(c1)F 1P01BECN [1,1,0,0,0,0|1,0,1]=4 1110 B12R1.28 OCCNCc1cccc(c1)F 1P01BECO [1,1,0,0,0,0|1,0,1]=4 1111 B12R1.28 OCCOCc1cccc(c1)F 1P01C5OJ [1,1,0,0,0,0|1,0,1]=4 1112 B12R1.28 OCCSCc1cccc(c1)C 1P00H6OI [1,1,0,0,0,0|1,0,1]=4 1113 B12R1.28 OCCSCc1cccc(c1)F 1P004UVL [1,1,0,0,0,0|1,0,1]=4 1114 B12R1.30 C=CCCC(=O)c1ccccc1 1P00C8HW [1,1,0,0,0,0|1,0,1]=4 1115 B12R1.30 C=CCCC(c1ccccc1)N 1P01A1ZO [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.30 C=CCNC(c1ccccc1)C 1P01AX3I [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [1,1,0,0,0,0|1,0,1]=4 1118 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [1,1,0,0,0,0|1,0,1]=4 1119 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [1,1,0,0,0,0|1,0,1]=4 1120 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [1,1,0,0,0,0|1,0,1]=4 1121 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [1,1,0,0,0,0|2,0,0]=4 1122 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [1,1,0,0,0,0|2,0,0]=4 1124 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [1,1,0,0,0,0|2,0,0]=4 1125 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [1,1,0,0,0,0|2,0,0]=4 1126 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.30 NC(c1ccccc1)CCC#C 1P01DWCL [1,1,0,0,0,0|1,0,1]=4 1128 B12R1.30 NC(c1ccccc1)CCC#N 1P01A295 [1,1,0,0,0,0|1,0,1]=4 1129 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [1,1,0,0,0,0|1,0,1]=4 1130 B12R1.30 NCCCC(c1ccccc1)N 1P027XAJ [1,1,0,0,0,0|1,0,1]=4 1131 B12R1.30 O=CCOC(=O)c1ccccc1 1P00E944 [1,1,0,0,0,0|1,0,1]=4 1132 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [1,1,0,0,0,0|1,0,1]=4 1133 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [1,1,0,0,0,0|1,0,1]=4 1134 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [1,1,0,0,0,0|0,0,2]=4 1135 B12R1.30 OCCCC(c1ccccc1)N 1P00CNE3 [1,1,0,0,0,0|0,0,1]=3 1136 B12R1.30 OCCCC(c1ccccc1)O 1P01I7XA [1,1,0,0,0,0|0,0,1]=3 1137 B12R1.30 OCCCC(c1cccnc1)N 1P0282FM [1,1,0,0,0,0|1,0,1]=4 1138 B12R1.30 OCCCN(c1ccccc1)C 1P00BYVQ [1,1,0,0,0,0|1,0,1]=4 1139 B12R1.30 OCCC[C@@H](c1ccccc1)N 1P002326 [1,1,0,0,0,0|0,0,1]=3 1140 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [1,1,0,0,0,0|1,0,1]=4 1141 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [1,1,0,0,0,0|1,0,1]=4 1142 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [1,1,0,0,0,0|1,0,0]=3 1143 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [1,1,0,0,0,0|1,0,0]=3 1144 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [1,1,0,0,0,0|1,0,1]=4 1145 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [1,1,0,0,0,0|1,0,1]=4 1146 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [1,1,0,0,0,0|1,0,1]=4 1154 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [1,1,0,0,0,0|1,0,1]=4 1155 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [1,1,0,0,0,0|0,0,1]=3 1156 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [1,1,0,0,0,0|1,0,1]=4 1157 B12R1.267 BrCCCCc1ccccc1Br 1P01JMNF [1,1,0,0,0,0|1,0,1]=4 1158 B12R1.267 BrCCCCc1ccccc1C 1P01JMMS [1,1,0,0,0,0|1,0,1]=4 1159 B12R1.267 BrCCCCc1ccccc1Cl 1P01JMNT [1,1,0,0,0,0|1,0,1]=4 1160 B12R1.267 BrCCCCc1ccccc1F 1P01JMNZ [1,1,0,0,0,0|1,0,1]=4 1161 B12R1.267 C=CCCCc1ccccc1Br 1P01BZ3C [1,1,0,0,0,0|1,0,0]=3 1162 B12R1.267 C=CCNCc1ccccc1C 1P00J4EJ [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.267 C=CCNCc1ccccc1Cl 1P00J4KB [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.267 C=CCNCc1ccccc1F 1P00JU2A [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.267 CNCCCc1ccccc1Cl 1P01QTAS [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.267 ICCCCc1ccccc1F 1P01JMO9 [1,1,0,0,0,0|1,0,1]=4 1167 B12R1.267 N#CCCCc1ccccc1Br 1P01A6XU [1,1,0,0,0,0|1,0,1]=4 1168 B12R1.267 N#CCCCc1ccccc1Cl 1P01A6XI [1,1,0,0,0,0|1,0,1]=4 1169 B12R1.267 O=C=NCCc1ccccc1Cl 1P01AJYH [1,1,0,0,0,0|1,0,1]=4 1170 B12R1.267 O=C=NCCc1ccccc1F 1P003HSR [1,1,0,0,0,0|1,0,1]=4 1171 B12R1.267 O=CCCCc1ccccc1Br 1P01RCJ6 [1,1,0,0,0,0|0,0,0]=2 1172 B12R1.267 OCCCCc1ccccc1Br 1P00HHNP [1,1,0,0,0,0|0,0,1]=3 1173 B12R1.267 OCCCNc1ccccc1N 1P01A9LS [1,1,0,0,0,0|1,0,1]=4 1174 B12R1.267 OCCCOc1ccccc1Br 1P01AIZG [1,1,0,0,0,0|1,0,1]=4 1175 B12R1.267 OCCCOc1ccccc1Cl 1P019XLD [1,1,0,0,0,0|1,0,1]=4 1176 B12R1.267 OCCNCc1ccccc1Br 1P00I599 [1,1,0,0,0,0|1,0,1]=4 1177 B12R1.267 OCCNCc1ccccc1Br 1P027W9J [1,1,0,0,0,0|1,0,1]=4 1178 B12R1.267 OCCNCc1ccccc1Cl 1P00J1KS [1,1,0,0,0,0|1,0,1]=4 1179 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,1,0,0,1,0|1,0,0]=3 1180 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,1,0,0,1,0|1,0,0]=3 1181 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,1,0,0,1,0|1,0,0]=3 1182 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,1,0,0,1,0|1,0,0]=3 1183 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,1,0,0,1,0|1,0,0]=3 1184 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,1,0,0,1,0|2,0,0]=4 1185 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,1,0,0,1,0|2,0,0]=4 1186 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,1,0,0,1,0|2,0,0]=4 1187 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,1,0,0,1,0|2,0,0]=4 1188 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,1,0,0,1,0|2,0,0]=4 1189 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,1,0,0,1,0|2,0,0]=4 1190 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,1,0,0,1,0|2,0,0]=4 1191 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,1,0,0,1,0|2,0,0]=4 1192 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,1,0,0,1,0|2,0,0]=4 1193 B12R1.21 CC(CCc1ccc(cc1)O)O 1P00FDS3 [0,1,0,0,1,0|1,0,1]=4 1194 B12R1.21 C[C@H](CCc1ccc(cc1)O)O 1P00DFZV [0,1,0,0,1,0|1,0,1]=4 1195 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [0,1,0,0,1,0|1,0,0]=3 1196 B12R1.21 ClC(=O)COc1ccc(cc1)C 1P001O5A [0,1,0,0,1,0|2,0,0]=4 1197 B12R1.21 ClC(=O)COc1ccc(cc1)Cl 1P003LOG [0,1,0,0,1,0|2,0,0]=4 1198 B12R1.21 ClC(=O)OCc1ccc(cc1)Br 1P00F0AY [0,1,0,0,1,0|2,0,0]=4 1199 B12R1.21 ClC(=O)OCc1ccc(cc1)F 1P01BKOV [0,1,0,0,1,0|2,0,0]=4 1200 B12R1.21 Fc1ccc(cc1)CCS(=O)[O-] 1P0292CY [0,1,0,0,1,0|1,0,1]=4 1201 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,1,0,0,1,0|2,0,0]=4 1202 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,1,0,0,1,0|2,0,0]=4 1203 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,1,0,0,1,0|1,0,0]=3 1204 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,1,0,0,1,0|1,0,0]=3 1205 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,1,0,0,1,0|1,0,0]=3 1206 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,1,0,0,1,0|1,0,0]=3 1207 B12R1.21 NC(=O)CNc1ccc(cc1)Br 1P027YGG [0,1,0,0,1,0|2,0,0]=4 1208 B12R1.21 NC(=O)CNc1ccc(cc1)F 1P004Y17 [0,1,0,0,1,0|2,0,0]=4 1209 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [0,1,0,0,1,0|2,0,0]=4 1210 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [0,1,0,0,1,0|2,0,0]=4 1211 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [0,1,0,0,1,0|2,0,0]=4 1212 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [0,1,0,0,1,0|2,0,0]=4 1213 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,1,0|2,0,0]=4 1214 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,1,0|2,0,0]=4 1215 B12R1.21 OC(=O)C#Cc1ccc(cc1)Br 1P00IMU7 [0,1,0,0,1,0|0,0,2]=4 1216 B12R1.21 OC(=O)C#Cc1ccc(cc1)C 1P006ZJ0 [0,1,0,0,1,0|0,0,2]=4 1217 B12R1.21 OC(=O)C#Cc1ccc(cc1)Cl 1P00CJ82 [0,1,0,0,1,0|0,0,2]=4 1218 B12R1.21 OC(=O)C#Cc1ccc(cc1)F 1P005U7Z [0,1,0,0,1,0|0,0,2]=4 1219 B12R1.21 OC(=O)C=Cc1ccc(cc1)Br 1P000QJ3 [0,1,0,0,1,0|0,0,2]=4 1220 B12R1.21 OC(=O)C=Cc1ccc(cc1)C 1P003M8E [0,1,0,0,1,0|0,0,2]=4 1221 B12R1.21 OC(=O)C=Cc1ccc(cc1)Cl 1P003LNV [0,1,0,0,1,0|0,0,2]=4 1222 B12R1.21 OC(=O)C=Cc1ccc(cc1)F 1P00I90C [0,1,0,0,1,0|0,0,2]=4 1223 B12R1.21 OC(=O)C=Cc1ccc(cc1)I 1P00BZS1 [0,1,0,0,1,0|0,0,2]=4 1224 B12R1.21 OC(=O)C=Cc1ccc(cc1)N 1P0034D9 [0,1,0,0,1,0|0,0,2]=4 1225 B12R1.21 OC(=O)C=Cc1ccc(cc1)O 1P005VCI [0,1,0,0,1,0|0,0,2]=4 1226 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BEPD [0,1,0,0,1,0|1,0,0]=3 1227 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BG1F [0,1,0,0,1,0|1,0,0]=3 1228 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01FKKI [0,1,0,0,1,0|1,0,0]=3 1229 B12R1.21 OC(=O)CCc1ccc(=O)[nH]n1 1P00EECX [0,1,0,0,1,0|2,0,0]=4 1230 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [0,1,0,0,1,0|0,0,0]=2 1231 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [0,1,0,0,1,0|0,0,0]=2 1232 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [0,1,0,0,1,0|0,0,0]=2 1233 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [0,1,0,0,1,0|0,0,0]=2 1234 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [0,1,0,0,1,0|0,0,0]=2 1235 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [0,1,0,0,1,0|0,0,0]=2 1236 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [0,1,0,0,1,0|0,0,0]=2 1237 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [0,1,0,0,1,0|0,0,0]=2 1238 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [0,1,0,0,1,0|0,0,0]=2 1239 B12R1.21 OC(=O)CCc1ccc(cn1)Br 1P0094KV [0,1,0,0,1,0|1,0,0]=3 1240 B12R1.21 OC(=O)CCc1ccc(cn1)F 1P028NJJ [0,1,0,0,1,0|1,0,0]=3 1241 B12R1.21 OC(=O)CCc1ccc(cn1)N 1P01A6OD [0,1,0,0,1,0|1,0,0]=3 1242 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P00HEZW [0,1,0,0,1,0|1,0,0]=3 1243 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P0282DC [0,1,0,0,1,0|1,0,0]=3 1244 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P007878 [0,1,0,0,1,0|1,0,0]=3 1245 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P01A4AD [0,1,0,0,1,0|1,0,0]=3 1246 B12R1.21 OC(=O)CCc1ccc(nc1)F 1P00IIRI [0,1,0,0,1,0|1,0,0]=3 1247 B12R1.21 OC(=O)CCc1ccc(nc1)N 1P00396S [0,1,0,0,1,0|1,0,0]=3 1248 B12R1.21 OC(=O)CCc1ncc(cn1)F 1P01DZOP [0,1,0,0,1,0|2,0,0]=4 1249 B12R1.21 OC(=O)CNc1ccc(cc1)C 1P00BGWF [0,1,0,0,1,0|1,0,0]=3 1250 B12R1.21 OC(=O)CNc1ccc(cc1)Cl 1P00DDBO [0,1,0,0,1,0|1,0,0]=3 1251 B12R1.21 OC(=O)CNc1ccc(cc1)F 1P00C911 [0,1,0,0,1,0|1,0,0]=3 1252 B12R1.21 OC(=O)CNc1ccc(cc1)O 1P00170H [0,1,0,0,1,0|1,0,0]=3 1253 B12R1.21 OC(=O)COc1ccc(cc1)Br 1P002GZL [0,1,0,0,1,0|1,0,0]=3 1254 B12R1.21 OC(=O)COc1ccc(cc1)C 1P003CD3 [0,1,0,0,1,0|1,0,0]=3 1255 B12R1.21 OC(=O)COc1ccc(cc1)Cl 1P00170G [0,1,0,0,1,0|1,0,0]=3 1256 B12R1.21 OC(=O)COc1ccc(cc1)F 1P003LWI [0,1,0,0,1,0|1,0,0]=3 1257 B12R1.21 OC(=O)COc1ccc(cc1)I 1P002GZK [0,1,0,0,1,0|1,0,0]=3 1258 B12R1.21 OC(=O)COc1ccc(cc1)N 1P001TCY [0,1,0,0,1,0|1,0,0]=3 1259 B12R1.21 OC(=O)COc1ccc(cc1)N 1P007PL9 [0,1,0,0,1,0|1,0,0]=3 1260 B12R1.21 OC(=O)COc1ccc(cc1)O 1P002GYE [0,1,0,0,1,0|1,0,0]=3 1261 B12R1.21 OC(=O)COc1ccc(cn1)Br 1P005J49 [0,1,0,0,1,0|2,0,0]=4 1262 B12R1.21 OC(=O)COc1ccc(cn1)Cl 1P01DTUD [0,1,0,0,1,0|2,0,0]=4 1263 B12R1.21 OC(=O)COc1ccc(cn1)F 1P01DTVR [0,1,0,0,1,0|2,0,0]=4 1264 B12R1.21 OC(=O)COc1ccc(nc1)Br 1P02841C [0,1,0,0,1,0|2,0,0]=4 1265 B12R1.21 OC(=O)COc1ccc(nc1)Cl 1P024H48 [0,1,0,0,1,0|2,0,0]=4 1266 B12R1.21 OC(=O)COc1ccc(nc1)F 1P028I03 [0,1,0,0,1,0|2,0,0]=4 1267 B12R1.21 OC(=O)CSc1ccc(cc1)Br 1P00CM5B [0,1,0,0,1,0|1,0,0]=3 1268 B12R1.21 OC(=O)CSc1ccc(cc1)C 1P003M95 [0,1,0,0,1,0|1,0,0]=3 1269 B12R1.21 OC(=O)CSc1ccc(cc1)Cl 1P003F54 [0,1,0,0,1,0|1,0,0]=3 1270 B12R1.21 OC(=O)CSc1ccc(cc1)F 1P003CCK [0,1,0,0,1,0|1,0,0]=3 1271 B12R1.21 OC(=O)CSc1ccc(cc1)N 1P003FBE [0,1,0,0,1,0|1,0,0]=3 1272 B12R1.21 OC(=O)CSc1ccc(cc1)O 1P00D7Q2 [0,1,0,0,1,0|1,0,0]=3 1273 B12R1.21 OC(=O)\C=C\c1ccc(cc1)C 1P0038Z7 [0,1,0,0,1,0|0,0,2]=4 1274 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl 1P00GS50 [0,1,0,0,1,0|0,0,2]=4 1275 B12R1.21 OC(=O)\C=C\c1ccc(cc1)F 1P003CH4 [0,1,0,0,1,0|0,0,2]=4 1276 B12R1.21 OC(=O)\C=C\c1ccc(cc1)I 1P00J0EA [0,1,0,0,1,0|0,0,2]=4 1277 B12R1.21 OC(=O)\C=C\c1ccc(cc1)N 1P0021LJ [0,1,0,0,1,0|0,0,2]=4 1278 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O 1P00I9F1 [0,1,0,0,1,0|0,0,2]=4 1279 B12R1.21 [O-]C(=O)COc1ccc(cc1)Cl 1P0013JC [0,1,0,0,1,0|1,0,1]=4 1280 B12R1.21 [O-]C(=O)CSc1ccc(cc1)F 1P019O6J [0,1,0,0,1,0|1,0,1]=4 1281 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,1,0|1,0,0]=3 1282 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,1,0,0,1,0|1,0,0]=3 1283 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,1,0|1,0,0]=3 1284 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,1,0,0,1,0|0,0,0]=2 1285 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,1,0,0,1,0|0,0,0]=2 1286 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,1,0,0,1,0|0,0,0]=2 1287 B12R1.43 C=C(C(=O)O)Cc1ccccc1 1P0033LB [0,1,0,0,1,0|0,0,1]=3 1288 B12R1.43 CC(=Cc1ccccc1)C(=O)O 1P000QB8 [0,1,0,0,1,0|0,0,2]=4 1289 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,1,0|1,0,0]=3 1290 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,1,0|1,0,0]=3 1291 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,1,0|2,0,0]=4 1292 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,1,0|0,0,0]=2 1293 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P00CKM4 [0,1,0,0,1,0|1,0,0]=3 1294 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P028NU0 [0,1,0,0,1,0|1,0,0]=3 1295 B12R1.43 CC(C(=O)O)Cc1ncccn1 1P0055BA [0,1,0,0,1,0|2,0,0]=4 1296 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,1,0|1,0,0]=3 1297 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,1,0|1,0,0]=3 1298 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,1,0|2,0,0]=4 1299 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [0,1,0,0,1,0|2,0,0]=4 1300 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,1,0|2,0,0]=4 1301 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,1,0|0,0,0]=2 1302 B12R1.43 C[C@@H](C(=O)O)Cc1ccncc1 1P028ODP [0,1,0,0,1,0|1,0,0]=3 1303 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,1,0|1,0,0]=3 1304 B12R1.43 C[C@@H](C(=O)O)Nc1ccncc1 1P027U03 [0,1,0,0,1,0|2,0,0]=4 1305 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,1,0|1,0,0]=3 1306 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,1,0|0,0,0]=2 1307 B12R1.43 C[C@H](C(=O)O)Cc1ccncc1 1P028NWN [0,1,0,0,1,0|1,0,0]=3 1308 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,1,0|1,0,0]=3 1309 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 1P002E6F [0,1,0,0,1,0|0,0,2]=4 1310 B12R1.43 F\C(=C\c1ccccc1)\C(=O)O 1P0029OI [0,1,0,0,1,0|0,0,2]=4 1311 B12R1.43 NC(=O)C(Cc1ccccn1)N 1P0285Z2 [0,1,0,0,1,0|2,0,0]=4 1312 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,1,0|1,0,0]=3 1313 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,1,0|1,0,0]=3 1314 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,1,0|1,0,0]=3 1315 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,1,0,0,1,0|0,0,0]=2 1316 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P001TJN [0,1,0,0,1,0|1,0,0]=3 1317 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P0074OI [0,1,0,0,1,0|1,0,0]=3 1318 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P009BEZ [0,1,0,0,1,0|1,0,0]=3 1319 B12R1.43 NC(C(=O)O)Cc1cncnc1 1P028UHU [0,1,0,0,1,0|2,0,0]=4 1320 B12R1.43 NC(C(=O)O)Cc1ncccn1 1P01C61T [0,1,0,0,1,0|2,0,0]=4 1321 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,1,0|1,0,0]=3 1322 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,1,0|1,0,0]=3 1323 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,1,0,0,1,0|0,0,0]=2 1324 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P003IM2 [0,1,0,0,1,0|1,0,0]=3 1325 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P00AP0A [0,1,0,0,1,0|1,0,0]=3 1326 B12R1.43 N[C@@H](C(=O)O)Cc1nccnc1 1P028QVW [0,1,0,0,1,0|2,0,0]=4 1327 B12R1.43 N[C@H](C(=N)O)Cc1ccccc1 1P003D1I [0,1,0,0,1,0|1,0,0]=3 1328 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,1,0|1,0,0]=3 1329 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,1,0,0,1,0|0,0,0]=2 1330 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,1,0,0,1,0|0,0,0]=2 1331 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,1,0,0,1,0|0,0,0]=2 1332 B12R1.43 N[C@H](C(=O)O)Cc1cccnn1 1P01KL1H [0,1,0,0,1,0|2,0,0]=4 1333 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0026YC [0,1,0,0,1,0|1,0,0]=3 1334 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0032XI [0,1,0,0,1,0|1,0,0]=3 1335 B12R1.43 N[C@H](C(=O)O)Cc1nccnc1 1P027W3H [0,1,0,0,1,0|2,0,0]=4 1336 B12R1.43 O=C(C(=O)O)Cc1ccccc1 1P001OVZ [0,1,0,0,1,0|0,0,1]=3 1337 B12R1.43 O=C(C(=O)O)Nc1ccccc1 1P00DD37 [0,1,0,0,1,0|1,0,1]=4 1338 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P000AQT [0,1,0,0,1,0|0,0,2]=4 1339 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00175E [0,1,0,0,1,0|0,0,2]=4 1340 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00I9QJ [0,1,0,0,1,0|0,0,2]=4 1341 B12R1.43 OC(=O)C(=O)Cc1ccccn1 1P01B8FP [0,1,0,0,1,0|1,0,1]=4 1342 B12R1.43 OC(=O)C(=O)Cc1ccccn1 1P01B8M6 [0,1,0,0,1,0|1,0,1]=4 1343 B12R1.43 OC(=O)C(=O)Cc1cccnc1 1P028AWU [0,1,0,0,1,0|1,0,1]=4 1344 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P0005RH [0,1,0,0,1,0|1,0,0]=3 1345 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P028B8G [0,1,0,0,1,0|1,0,0]=3 1346 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P001ZWT [0,1,0,0,1,0|1,0,0]=3 1347 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P019GDO [0,1,0,0,1,0|1,0,0]=3 1348 B12R1.43 OC(=O)C(Cc1ccccn1)O 1P028KW5 [0,1,0,0,1,0|1,0,0]=3 1349 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0020CV [0,1,0,0,1,0|1,0,0]=3 1350 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0092JB [0,1,0,0,1,0|1,0,0]=3 1351 B12R1.43 OC(=O)C(Cc1cccnc1)O 1P0045MJ [0,1,0,0,1,0|1,0,0]=3 1352 B12R1.43 OC(=O)C(Cc1ccncn1)N 1P01C52T [0,1,0,0,1,0|2,0,0]=4 1353 B12R1.43 OC(=O)C(Oc1ccccn1)C 1P01C2FK [0,1,0,0,1,0|2,0,0]=4 1354 B12R1.43 OC(=O)C(Oc1cccnc1)C 1P00D5IY [0,1,0,0,1,0|2,0,0]=4 1355 B12R1.43 OC(=O)C(Sc1ccccn1)C 1P00CI5Q [0,1,0,0,1,0|2,0,0]=4 1356 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N 1P003II4 [0,1,0,0,1,0|1,0,0]=3 1357 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)C 1P028PB3 [0,1,0,0,1,0|1,0,0]=3 1358 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P003FB3 [0,1,0,0,1,0|1,0,0]=3 1359 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00I7EE [0,1,0,0,1,0|1,0,0]=3 1360 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00IICL [0,1,0,0,1,0|1,0,0]=3 1361 B12R1.43 OC(=O)[C@@H](Cc1ccncn1)N 1P0293OL [0,1,0,0,1,0|2,0,0]=4 1362 B12R1.43 OC(=O)[C@H](Cc1ccccn1)N 1P003BQR [0,1,0,0,1,0|1,0,0]=3 1363 B12R1.43 OC(=O)[C@H](Cc1cccnc1)C 1P028QM0 [0,1,0,0,1,0|1,0,0]=3 1364 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P003D1H [0,1,0,0,1,0|1,0,0]=3 1365 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P006B5E [0,1,0,0,1,0|1,0,0]=3 1366 B12R1.43 OC(=O)[C@H](Cc1ccncn1)N 1P023JAX [0,1,0,0,1,0|2,0,0]=4 1367 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,1,0|1,0,0]=3 1368 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,1,0,0,1,0|0,0,0]=2 1369 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,1,0,0,1,0|0,0,0]=2 1370 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,1,0,0,1,0|0,0,0]=2 1371 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,1,0,0,1,0|0,0,0]=2 1372 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,1,0,0,1,0|0,0,0]=2 1373 B12R1.107 CC(=CC(=O)O)c1ccccc1 1P000QAQ [0,1,0,0,1,0|0,0,2]=4 1374 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,1,0,0,1,0|0,0,0]=2 1375 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,1,0,0,1,0|2,0,0]=4 1376 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,1,0|2,0,0]=4 1377 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,1,0,0,1,0|2,0,0]=4 1378 B12R1.107 CC(c1ccncc1)CC(=O)O 1P00DE5H [0,1,0,0,1,0|1,0,0]=3 1379 B12R1.107 CC(c1ccncc1)CC(=O)O 1P01BVVQ [0,1,0,0,1,0|1,0,0]=3 1380 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,1,0,0,1,0|1,0,0]=3 1381 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,1,0,0,1,0|1,0,0]=3 1382 B12R1.107 CN(c1ccncc1)CC(=O)O 1P028DLS [0,1,0,0,1,0|2,0,0]=4 1383 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,1,0,0,1,0|0,0,0]=2 1384 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,1,0,0,1,0|0,0,0]=2 1385 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,1,0,0,1,0|2,0,0]=4 1386 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,1,0|2,0,0]=4 1387 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 1P005J10 [0,1,0,0,1,0|0,0,2]=4 1388 B12R1.107 F\C(=C/C(=O)O)\c1ccccc1 1P028ELB [0,1,0,0,1,0|0,0,2]=4 1389 B12R1.107 F\C(=C\C(=O)O)\c1ccccc1 1P027U6A [0,1,0,0,1,0|0,0,2]=4 1390 B12R1.107 I\C(=C/C(=O)O)\c1ccccc1 1P028MCH [0,1,0,0,1,0|0,0,2]=4 1391 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,1,0,0,1,0|2,0,0]=4 1392 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,1,0,0,1,0|1,0,0]=3 1393 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,1,0,0,1,0|0,0,0]=2 1394 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,1,0,0,1,0|0,0,0]=2 1395 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,1,0,0,1,0|2,0,0]=4 1396 B12R1.107 NC(c1ccncc1)CC(=O)O 1P00BZAE [0,1,0,0,1,0|1,0,0]=3 1397 B12R1.107 NC(c1ccncc1)CC(=O)O 1P01B5IG [0,1,0,0,1,0|1,0,0]=3 1398 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,1,0,0,1,0|0,0,0]=2 1399 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,1,0,0,1,0|0,0,0]=2 1400 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,1,0,0,1,0|0,0,0]=2 1401 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,1,0,0,1,0|0,0,0]=2 1402 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,1,0|1,0,1]=4 1403 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [0,1,0,0,1,0|0,0,2]=4 1404 B12R1.107 OC(=O)CC(c1ccccn1)C 1P00H5G0 [0,1,0,0,1,0|1,0,0]=3 1405 B12R1.107 OC(=O)CC(c1ccccn1)N 1P01A2VT [0,1,0,0,1,0|1,0,0]=3 1406 B12R1.107 OC(=O)CC(c1cccnc1)C 1P01AJ2C [0,1,0,0,1,0|1,0,0]=3 1407 B12R1.107 OC(=O)CC(c1cccnc1)N 1P0032W9 [0,1,0,0,1,0|1,0,0]=3 1408 B12R1.107 OC(=O)CN(c1ccccn1)C 1P0005JD [0,1,0,0,1,0|2,0,0]=4 1409 B12R1.107 OC(=O)C[C@@H](c1cccnc1)N 1P00810F [0,1,0,0,1,0|1,0,0]=3 1410 B12R1.107 OC(=O)C[C@H](c1ccccn1)N 1P024G2A [0,1,0,0,1,0|1,0,0]=3 1411 B12R1.107 OC(=O)C[C@H](c1cccnc1)N 1P001O1I [0,1,0,0,1,0|1,0,0]=3 1412 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,1,0,0,1,0|0,0,0]=2 1413 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,1,0,0,1,0|0,0,0]=2 1414 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,1,0,0,1,0|0,0,0]=2 1415 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,1,0,0,1,0|1,0,0]=3 1416 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,1,0,0,1,0|1,0,0]=3 1417 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,1,0,0,1,0|2,0,0]=4 1418 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,1,0,0,1,0|2,0,0]=4 1419 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,1,0,0,1,0|2,0,0]=4 1420 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,1,0,0,1,0|2,0,0]=4 1421 B12R1.125 Cc1ccncc1CCC(=O)O 1P000ZN8 [0,1,0,0,1,0|1,0,0]=3 1422 B12R1.125 Cc1ncccc1CCC(=O)O 1P00ICJI [0,1,0,0,1,0|1,0,0]=3 1423 B12R1.125 Cc1ncccc1CCC(=O)O 1P0281ED [0,1,0,0,1,0|1,0,0]=3 1424 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [0,1,0,0,1,0|1,0,0]=3 1425 B12R1.125 ClC(=O)OCc1ccccc1Cl 1P003HIJ [0,1,0,0,1,0|2,0,0]=4 1426 B12R1.125 ClC(=O)OCc1ccccc1F 1P01B3WB [0,1,0,0,1,0|2,0,0]=4 1427 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,1,0,0,1,0|1,0,0]=3 1428 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,1,0,0,1,0|1,0,0]=3 1429 B12R1.125 NC(=O)CNc1ccccc1Br 1P027XV8 [0,1,0,0,1,0|2,0,0]=4 1430 B12R1.125 NC(=O)COc1ccccc1C 1P00BXOH [0,1,0,0,1,0|2,0,0]=4 1431 B12R1.125 NC(=O)COc1ccccc1Cl 1P003F81 [0,1,0,0,1,0|2,0,0]=4 1432 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [0,1,0,0,1,0|2,0,0]=4 1433 B12R1.125 NC(=O)CSc1ccccc1N 1P019OTG [0,1,0,0,1,0|2,0,0]=4 1434 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,1,0|2,0,0]=4 1435 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,1,0|2,0,0]=4 1436 B12R1.125 OC(=O)C#Cc1ccccc1C 1P00JTBO [0,1,0,0,1,0|0,0,2]=4 1437 B12R1.125 OC(=O)C#Cc1ccccc1Cl 1P00JTBJ [0,1,0,0,1,0|0,0,2]=4 1438 B12R1.125 OC(=O)C#Cc1ccccc1F 1P00FEGZ [0,1,0,0,1,0|0,0,2]=4 1439 B12R1.125 OC(=O)C=Cc1ccccc1Br 1P0033MW [0,1,0,0,1,0|0,0,2]=4 1440 B12R1.125 OC(=O)C=Cc1ccccc1C 1P019O2E [0,1,0,0,1,0|0,0,2]=4 1441 B12R1.125 OC(=O)C=Cc1ccccc1Cl 1P0033PW [0,1,0,0,1,0|0,0,2]=4 1442 B12R1.125 OC(=O)C=Cc1ccccc1F 1P003HSF [0,1,0,0,1,0|0,0,2]=4 1443 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [0,1,0,0,1,0|0,0,0]=2 1444 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [0,1,0,0,1,0|0,0,0]=2 1445 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [0,1,0,0,1,0|0,0,0]=2 1446 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [0,1,0,0,1,0|0,0,0]=2 1447 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [0,1,0,0,1,0|0,0,0]=2 1448 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [0,1,0,0,1,0|0,0,0]=2 1449 B12R1.125 OC(=O)CCc1cccnc1Cl 1P01B612 [0,1,0,0,1,0|1,0,0]=3 1450 B12R1.125 OC(=O)CCc1cccnc1F 1P00IIRH [0,1,0,0,1,0|1,0,0]=3 1451 B12R1.125 OC(=O)CCc1ccncc1C 1P00HBM0 [0,1,0,0,1,0|1,0,0]=3 1452 B12R1.125 OC(=O)CCc1ccncc1F 1P0201YO [0,1,0,0,1,0|1,0,0]=3 1453 B12R1.125 OC(=O)CCc1cncnc1O 1P01CAP4 [0,1,0,0,1,0|2,0,0]=4 1454 B12R1.125 OC(=O)CCc1ncccc1C 1P00ICJG [0,1,0,0,1,0|1,0,0]=3 1455 B12R1.125 OC(=O)CCn1ccccc1=O 1P00FFU4 [0,1,0,0,1,0|1,0,0]=3 1456 B12R1.125 OC(=O)CCn1cccnc1=O 1P019V8M [0,1,0,0,1,0|2,0,0]=4 1457 B12R1.125 OC(=O)CNc1ccccc1Cl 1P00FHKA [0,1,0,0,1,0|1,0,0]=3 1458 B12R1.125 OC(=O)CNc1ccccc1F 1P00D9L6 [0,1,0,0,1,0|1,0,0]=3 1459 B12R1.125 OC(=O)COc1ccccc1Br 1P002H0V [0,1,0,0,1,0|1,0,0]=3 1460 B12R1.125 OC(=O)COc1ccccc1C 1P002GYV [0,1,0,0,1,0|1,0,0]=3 1461 B12R1.125 OC(=O)COc1ccccc1F 1P003C3Z [0,1,0,0,1,0|1,0,0]=3 1462 B12R1.125 OC(=O)COc1ccccc1O 1P003HWK [0,1,0,0,1,0|1,0,0]=3 1463 B12R1.125 OC(=O)COc1cccnc1Cl 1P0290SA [0,1,0,0,1,0|2,0,0]=4 1464 B12R1.125 OC(=O)CSc1cccc[n+]1[O-] 1P0057C6 [0,1,0,0,1,0|2,0,0]=4 1465 B12R1.125 OC(=O)CSc1ccccc1Br 1P01DUSN [0,1,0,0,1,0|1,0,0]=3 1466 B12R1.125 OC(=O)CSc1ccccc1C 1P00ADC0 [0,1,0,0,1,0|1,0,0]=3 1467 B12R1.125 OC(=O)CSc1ccccc1Cl 1P00ALGW [0,1,0,0,1,0|1,0,0]=3 1468 B12R1.125 OC(=O)CSc1ccccc1F 1P005UWQ [0,1,0,0,1,0|1,0,0]=3 1469 B12R1.125 OC(=O)CSc1ccccc1O 1P00536S [0,1,0,0,1,0|1,0,0]=3 1470 B12R1.125 OC(=O)\C=C\c1ccccc1Br 1P008OSG [0,1,0,0,1,0|0,0,2]=4 1471 B12R1.125 OC(=O)\C=C\c1ccccc1C 1P003I5R [0,1,0,0,1,0|0,0,2]=4 1472 B12R1.125 OC(=O)\C=C\c1ccccc1Cl 1P006B5H [0,1,0,0,1,0|0,0,2]=4 1473 B12R1.125 OC(=O)\C=C\c1ccccc1F 1P002E51 [0,1,0,0,1,0|0,0,2]=4 1474 B12R1.125 OC(=O)\C=C\c1ccccc1O 1P00IBBN [0,1,0,0,1,0|0,0,2]=4 1475 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [0,1,0,0,1,0|0,0,1]=3 1476 B12R1.226 Brc1cccc(c1)C#CC(=O)O 1P01B5WY [0,1,0,0,1,0|0,0,2]=4 1477 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,1,0,0,1,0|1,0,0]=3 1478 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,1,0,0,1,0|1,0,0]=3 1479 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,1,0,0,1,0|1,0,0]=3 1480 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,1,0,0,1,0|1,0,0]=3 1481 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,1,0,0,1,0|2,0,0]=4 1482 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,1,0,0,1,0|2,0,0]=4 1483 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,1,0,0,1,0|2,0,0]=4 1484 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,1,0,0,1,0|2,0,0]=4 1485 B12R1.226 Cc1cc(CCC(=O)O)ncc1 1P00HA8Z [0,1,0,0,1,0|1,0,0]=3 1486 B12R1.226 Cc1cccc(c1)C#CC(=O)O 1P00JTBN [0,1,0,0,1,0|0,0,2]=4 1487 B12R1.226 Cc1cccc(n1)CCC(=O)O 1P00G80C [0,1,0,0,1,0|1,0,0]=3 1488 B12R1.226 Cc1nc(CCC(=O)O)ccn1 1P01B867 [0,1,0,0,1,0|2,0,0]=4 1489 B12R1.226 ClC(=O)COc1cccc(c1)F 1P00IMRM [0,1,0,0,1,0|2,0,0]=4 1490 B12R1.226 ClC(=O)OCc1cccc(c1)Cl 1P01AM7P [0,1,0,0,1,0|2,0,0]=4 1491 B12R1.226 Clc1cccc(c1)C#CC(=O)O 1P005JBM [0,1,0,0,1,0|0,0,2]=4 1492 B12R1.226 Fc1cccc(c1)C#CC(=O)O 1P00JTBQ [0,1,0,0,1,0|0,0,2]=4 1493 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,1,0,0,1,0|1,0,0]=3 1494 B12R1.226 NC(=O)CCc1cncc(c1)C 1P028WSI [0,1,0,0,1,0|2,0,0]=4 1495 B12R1.226 NC(=O)CNc1cccc(c1)F 1P0292E1 [0,1,0,0,1,0|2,0,0]=4 1496 B12R1.226 NC(=O)COc1cccc(c1)Br 1P00C2B9 [0,1,0,0,1,0|2,0,0]=4 1497 B12R1.226 NC(=O)COc1cccc(c1)C 1P0001MA [0,1,0,0,1,0|2,0,0]=4 1498 B12R1.226 NC(=O)COc1cccc(c1)N 1P019L2R [0,1,0,0,1,0|2,0,0]=4 1499 B12R1.226 NC(=O)COc1cccc(c1)O 1P01A2YY [0,1,0,0,1,0|2,0,0]=4 1500 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,1,0|2,0,0]=4 1501 B12R1.226 NC(=S)CCc1cccc(c1)Cl 1P0292N4 [0,1,0,0,1,0|1,1,0]=4 1502 B12R1.226 Nc1cccc(c1)C#CC(=O)O 1P0285XG [0,1,0,0,1,0|0,0,2]=4 1503 B12R1.226 OC(=O)C=Cc1cccc(c1)Br 1P00I6R2 [0,1,0,0,1,0|0,0,2]=4 1504 B12R1.226 OC(=O)C=Cc1cccc(c1)C 1P002ZYM [0,1,0,0,1,0|0,0,2]=4 1505 B12R1.226 OC(=O)C=Cc1cccc(c1)Cl 1P00I2AM [0,1,0,0,1,0|0,0,2]=4 1506 B12R1.226 OC(=O)C=Cc1cccc(c1)F 1P00DET3 [0,1,0,0,1,0|0,0,2]=4 1507 B12R1.226 OC(=O)C=Cc1cccc(c1)O 1P00E9RN [0,1,0,0,1,0|0,0,2]=4 1508 B12R1.226 OC(=O)CCc1cc(F)ccn1 1P00I1SJ [0,1,0,0,1,0|1,0,0]=3 1509 B12R1.226 OC(=O)CCc1cccc(=O)[nH]1 1P028QAQ [0,1,0,0,1,0|1,0,0]=3 1510 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [0,1,0,0,1,0|0,0,0]=2 1511 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [0,1,0,0,1,0|0,0,0]=2 1512 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [0,1,0,0,1,0|0,0,0]=2 1513 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [0,1,0,0,1,0|0,0,0]=2 1514 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [0,1,0,0,1,0|0,0,0]=2 1515 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [0,1,0,0,1,0|0,0,0]=2 1516 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [0,1,0,0,1,0|0,0,0]=2 1517 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [0,1,0,0,1,0|0,0,0]=2 1518 B12R1.226 OC(=O)CCc1ccnc(c1)Br 1P020LCI [0,1,0,0,1,0|1,0,0]=3 1519 B12R1.226 OC(=O)CCc1ccnc(c1)C 1P002TL0 [0,1,0,0,1,0|1,0,0]=3 1520 B12R1.226 OC(=O)CCc1ccnc(c1)Cl 1P02900N [0,1,0,0,1,0|1,0,0]=3 1521 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P0007EH [0,1,0,0,1,0|1,0,0]=3 1522 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P01A527 [0,1,0,0,1,0|1,0,0]=3 1523 B12R1.226 OC(=O)CCc1cncc(c1)C 1P00HIV3 [0,1,0,0,1,0|1,0,0]=3 1524 B12R1.226 OC(=O)CCc1cncc(c1)F 1P01A4ZW [0,1,0,0,1,0|1,0,0]=3 1525 B12R1.226 OC(=O)CCc1cncc(c1)O 1P01A7FZ [0,1,0,0,1,0|1,0,0]=3 1526 B12R1.226 OC(=O)CNc1cccc(c1)Cl 1P0007W7 [0,1,0,0,1,0|1,0,0]=3 1527 B12R1.226 OC(=O)CNc1cccc(n1)Br 1P027VTH [0,1,0,0,1,0|2,0,0]=4 1528 B12R1.226 OC(=O)COc1cc(Cl)ccn1 1P01DMT4 [0,1,0,0,1,0|2,0,0]=4 1529 B12R1.226 OC(=O)COc1cccc(c1)Br 1P0027QK [0,1,0,0,1,0|1,0,0]=3 1530 B12R1.226 OC(=O)COc1cccc(c1)C 1P001V8J [0,1,0,0,1,0|1,0,0]=3 1531 B12R1.226 OC(=O)COc1cccc(c1)Cl 1P003C8L [0,1,0,0,1,0|1,0,0]=3 1532 B12R1.226 OC(=O)COc1cccc(c1)F 1P003C91 [0,1,0,0,1,0|1,0,0]=3 1533 B12R1.226 OC(=O)COc1cccc(c1)I 1P00B463 [0,1,0,0,1,0|1,0,0]=3 1534 B12R1.226 OC(=O)COc1cccc(c1)N 1P00EC9G [0,1,0,0,1,0|1,0,0]=3 1535 B12R1.226 OC(=O)COc1cccc(c1)O 1P002GYF [0,1,0,0,1,0|1,0,0]=3 1536 B12R1.226 OC(=O)COc1cccc(n1)F 1P0281BX [0,1,0,0,1,0|2,0,0]=4 1537 B12R1.226 OC(=O)COc1cncc(c1)Br 1P01A6GS [0,1,0,0,1,0|2,0,0]=4 1538 B12R1.226 OC(=O)COc1cncc(c1)Br 1P028P3P [0,1,0,0,1,0|2,0,0]=4 1539 B12R1.226 OC(=O)CSc1cccc(c1)Br 1P00CRD4 [0,1,0,0,1,0|1,0,0]=3 1540 B12R1.226 OC(=O)CSc1cccc(c1)C 1P00D0KB [0,1,0,0,1,0|1,0,0]=3 1541 B12R1.226 OC(=O)CSc1cccc(c1)Cl 1P00CIHP [0,1,0,0,1,0|1,0,0]=3 1542 B12R1.226 OC(=O)CSc1cccc(c1)F 1P00CZNX [0,1,0,0,1,0|1,0,0]=3 1543 B12R1.226 OC(=O)CSc1cccc(n1)Br 1P027TV4 [0,1,0,0,1,0|2,0,0]=4 1544 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br 1P001KJC [0,1,0,0,1,0|0,0,2]=4 1545 B12R1.226 OC(=O)\C=C\c1cccc(c1)C 1P001KJT [0,1,0,0,1,0|0,0,2]=4 1546 B12R1.226 OC(=O)\C=C\c1cccc(c1)Cl 1P001KJD [0,1,0,0,1,0|0,0,2]=4 1547 B12R1.226 OC(=O)\C=C\c1cccc(c1)F 1P002AW9 [0,1,0,0,1,0|0,0,2]=4 1548 B12R1.226 OC(=O)\C=C\c1cccc(c1)I 1P00BZ26 [0,1,0,0,1,0|0,0,2]=4 1549 B12R1.226 OC(=O)\C=C\c1cccc(c1)N 1P000XW0 [0,1,0,0,1,0|0,0,2]=4 1550 B12R1.226 OC(=O)\C=C\c1cccc(c1)O 1P001FFZ [0,1,0,0,1,0|0,0,2]=4 1551 B12R1.226 Oc1cccc(c1)C#CC(=O)O 1P01CAA5 [0,1,0,0,1,0|0,0,2]=4 1552 B12R1.891 CC(CCc1ccccc1)(O)C 1P003I40 [0,1,0,0,1,0|1,0,1]=4 1553 B12R1.891 ClS(=O)(=O)CCc1ccccc1 1P007497 [0,1,0,0,1,0|1,0,1]=4 1554 B12R1.891 FS(=O)(=O)CCc1ccccc1 1P01ALG4 [0,1,0,0,1,0|1,0,1]=4 1555 B12R1.891 NS(=O)(=O)CCc1ccccc1 1P01A8RG [0,1,0,0,1,0|1,0,1]=4 1556 B12R1.891 OP(=O)(CCc1ccccc1)O 1P003IC5 [0,1,0,0,1,0|1,0,0]=3 1557 B12R1.891 OP(=O)(OCc1ccccc1)O 1P01NJ4M [0,1,0,0,1,0|2,0,0]=4 1558 B12R1.891 OS(=O)(=O)CCc1ccncc1 1P003MH6 [0,1,0,0,1,0|2,0,0]=4 1559 B12R1.891 [O-]S(=O)(=O)CCc1ccccc1 1P01G4LQ [0,1,0,0,1,0|1,0,1]=4 1560 B12R1.54 O=C([C-]1C=CC=C1)CCC(=O)O 1P000ZBO [0,1,0,0,1,0|0,0,2]=4 1561 B12R1.54 OC(=O)CCC(=O)c1ccc[nH]1 1P01A2XW [0,1,0,0,1,0|1,0,1]=4 1562 B12R1.54 OC(=O)CCC(=O)c1cccs1 1P00DF44 [0,1,0,0,1,0|1,0,1]=4 1563 B12R1.54 OC(=O)CCC(c1cccs1)N 1P028E2T [0,1,0,0,1,0|1,0,0]=3 1564 B12R1.105 Cc1cc(on1)CCCC(=O)O 1P028DFO [0,1,0,0,1,0|2,0,0]=4 1565 B12R1.105 Cc1ccc(s1)CCCC(=O)O 1P019YWT [0,1,0,0,1,0|1,0,0]=3 1566 B12R1.105 Cc1ccn(n1)CCCC(=O)O 1P00JFD5 [0,1,0,0,1,0|2,0,0]=4 1567 B12R1.105 Cc1cn(nc1)CCCC(=O)O 1P00JFD0 [0,1,0,0,1,0|2,0,0]=4 1568 B12R1.105 Cc1cn(nc1)CCCC(=O)O 1P028BGH [0,1,0,0,1,0|2,0,0]=4 1569 B12R1.105 Cc1cnc(o1)CCCC(=O)O 1P01C1QU [0,1,0,0,1,0|2,0,0]=4 1570 B12R1.105 Cc1nc(cs1)CCCC(=O)O 1P019YV7 [0,1,0,0,1,0|2,0,0]=4 1571 B12R1.105 Nc1nc(cs1)CCCC(=O)O 1P019ZMA [0,1,0,0,1,0|2,0,0]=4 1572 B12R1.105 OC(=O)CCCc1ccc(s1)Br 1P019PN4 [0,1,0,0,1,0|1,0,0]=3 1573 B12R1.105 OC(=O)CCCn1cc(cn1)Br 1P00JFD4 [0,1,0,0,1,0|2,0,0]=4 1574 B12R1.105 OC(=O)CCCn1cc(cn1)Cl 1P00JFD1 [0,1,0,0,1,0|2,0,0]=4 1575 B12R1.105 OC(=O)CNCc1ccc(s1)Cl 1P019U15 [0,1,0,0,1,0|2,0,0]=4 1576 B12R1.105 OC(=O)CSCc1ccc(s1)Cl 1P019O9N [0,1,0,0,1,0|2,0,0]=4 1577 B12R1.130 OC(=O)CCCc1sccc1C 1P01A2BC [0,1,0,0,1,0|1,0,0]=3 1578 B12R1.130 OC(=O)CCCn1ccnc1C 1P007D7M [0,1,0,0,1,0|2,0,0]=4 1579 B12R1.130 OC(=O)CCCn1ccnc1C 1P00J1VM [0,1,0,0,1,0|2,0,0]=4 1580 B12R1.260 N[C@@H](Cc1ccco1)CC(=O)O 1P00BDDY [0,1,0,0,1,0|1,0,0]=3 1581 B12R1.260 N[C@@H](Cc1cscc1)CC(=O)O 1P00BDDZ [0,1,0,0,1,0|1,0,0]=3 1582 B12R1.260 N[C@H](Cc1cccs1)CC(=O)O 1P007MNF [0,1,0,0,1,0|1,0,0]=3 1583 B12R1.260 N[C@H](Cc1cscc1)CC(=O)O 1P00BC8R [0,1,0,0,1,0|1,0,0]=3 1584 B12R1.260 O=S(Cc1ccco1)CC(=O)O 1P007D4M [0,1,0,0,1,0|2,0,0]=4 1585 B12R1.264 OC(=O)C(CCc1c[nH]nc1)N 1P028N74 [0,1,0,0,1,0|2,0,0]=4 1586 B12R1.264 OC(=O)[C@H](CCc1c[nH]nc1)N 1P028I91 [0,1,0,0,1,0|2,0,0]=4 1587 B12R1.477 COC(=O)CCCc1cccs1 1P002K37 [0,1,0,0,1,0|1,0,0]=3 1588 B12R1.477 COC(=O)CCCc1nccs1 1P01B9LW [0,1,0,0,1,0|2,0,0]=4 1589 B12R1.477 COC(=O)CCCn1cccc1 1P002A5E [0,1,0,0,1,0|1,0,0]=3 1590 B12R1.477 COC(=O)CNCc1ccco1 1P018Z9G [0,1,0,0,1,0|2,0,0]=4 1591 B12R1.477 NNC(=O)CCCc1cccs1 1P01AI21 [0,1,0,0,1,0|2,0,0]=4 1592 B14R1.148 CC(=O)OCCCc1cccc(c1)N 1P01A6V9 [0,1,0,0,0,1|1,0,0]=3 1593 B14R1.148 OC(=O)CCCCc1cccc(c1)Br 1P004YQU [0,1,0,0,0,1|0,0,0]=2 1594 B14R1.148 OC(=O)CCCCc1cccc(c1)O 1P00BJ4X [0,1,0,0,0,1|0,0,0]=2 1595 B14R1.148 OC(=O)CCCCc1cccc(n1)N 1P028U4B [0,1,0,0,0,1|1,0,0]=3 1596 B14R1.148 OC(=O)CCCOc1cccc(c1)Br 1P019I7M [0,1,0,0,0,1|0,0,0]=2 1597 B14R1.148 OC(=O)CCCOc1cccc(c1)C 1P006ZXN [0,1,0,0,0,1|0,0,0]=2 1598 B14R1.148 OC(=O)CCCOc1cccc(c1)F 1P008E8U [0,1,0,0,0,1|0,0,0]=2 1599 B14R1.148 OC(=O)CCNCc1cccc(c1)C 1P019NV4 [0,1,0,0,0,1|0,0,0]=2 1600 B14R1.148 OC(=O)CCNCc1cccc(c1)Cl 1P019VNF [0,1,0,0,0,1|0,0,0]=2 1601 B14R1.148 OC(=O)CCNCc1cccc(c1)F 1P01ACOD [0,1,0,0,0,1|0,0,0]=2 1602 B14R1.148 OC(=O)COCCc1cccc(c1)F 1P01C5TE [0,1,0,0,0,1|0,0,0]=2 1603 B14R1.159 NC(=NCCCc1ccccc1Br)N 1P01C0P2 [0,1,0,0,0,1|2,0,0]=4 1604 B14R1.159 OC(=O)CCCCc1ccccc1O 1P0289HA [0,1,0,0,0,1|0,0,0]=2 1605 B14R1.159 OC(=O)CCCOc1ccccc1Br 1P019V2Q [0,1,0,0,0,1|0,0,0]=2 1606 B14R1.159 OC(=O)CCCOc1ccccc1C 1P006WQX [0,1,0,0,0,1|0,0,0]=2 1607 B14R1.159 OC(=O)CCCOc1ccccc1Cl 1P01A8K5 [0,1,0,0,0,1|0,0,0]=2 1608 B14R1.159 OC(=O)CCCOc1ccccc1F 1P00BHHF [0,1,0,0,0,1|0,0,0]=2 1609 B14R1.159 OC(=O)CCNCc1ccccc1Cl 1P019VG1 [0,1,0,0,0,1|0,0,0]=2 1610 B14R1.420 C1(=CC=CC=C1)C(CCCC(=O)O)=C 1P01JJ9T [0,1,0,0,0,1|0,0,0]=2 1611 B14R1.420 CC(c1ccccc1)CCCC(=O)O 1P028YI2 [0,1,0,0,0,1|0,0,0]=2 1612 B14R1.420 CC(c1ccccc1)CCNC(=O)N 1P01A60A [0,1,0,0,0,1|1,0,0]=3 1613 B14R1.420 CC(c1ccccc1)COCC(=O)O 1P01C5V9 [0,1,0,0,0,1|0,0,0]=2 1614 B14R1.420 NC(c1ccccc1)CCCC(=O)O 1P028KBS [0,1,0,0,0,1|0,0,0]=2 1615 B14R1.420 N[C@@H](c1ccccc1)CCCC(=O)O 1P00231H [0,1,0,0,0,1|0,0,0]=2 1616 B14R1.420 O=C(c1ccccc1)CCCC(=O)O 1P001MSV [0,1,0,0,0,1|0,0,0]=2 1617 B14R1.420 O=C(c1ccccc1)CCOC(=O)C 1P0061PC [0,1,0,0,0,1|1,0,1]=4 1618 B14R1.420 O=C(c1ccccc1)CSCC(=O)O 1P00JMH4 [0,1,0,0,0,1|0,0,1]=3 1619 B14R1.420 O=C(c1ccccc1)NCCC(=O)O 1P003ON4 [0,1,0,0,0,1|0,0,1]=3 1620 B14R1.420 O=C(c1ccncc1)NCCC(=O)O 1P019NGE [0,1,0,0,0,1|1,0,1]=4 1621 B14R1.420 O=C(c1ccncc1)NCCC(=O)O 1P028VYE [0,1,0,0,0,1|1,0,1]=4 1622 B14R1.420 OC(c1ccccc1)CCCC(=O)[O-] 1P01C3NU [0,1,0,0,0,1|0,0,1]=3 1623 B14R1.423 CN(Cc1ccccc1)CCC(=O)C 1P001X4G [0,1,0,0,0,1|1,0,0]=3 1624 B14R1.423 CN(Cc1ccccc1)CCC(=O)O 1P003J8P [0,1,0,0,0,1|0,0,0]=2 1625 B14R1.423 CN(Cc1ccccn1)CCC(=O)O 1P01B2Z2 [0,1,0,0,0,1|1,0,0]=3 1626 B14R1.423 N=C(Nc1ccccc1)NCC(=O)O 1P01FLE1 [0,1,0,0,0,1|1,0,1]=4 1627 B14R1.423 NC(Cc1ccccc1)CCC(=O)O 1P01A65K [0,1,0,0,0,1|0,0,0]=2 1628 B14R1.423 O=C(Cc1ccccc1)CCC(=O)O 1P01E4LI [0,1,0,0,0,1|0,0,0]=2 1629 B14R1.423 O=C(Cc1ccccc1)NCC(=O)O 1P003U4D [0,1,0,0,0,1|0,0,1]=3 1630 B14R1.423 O=C(Nc1ccccc1)CCC(=O)O 1P0006OP [0,1,0,0,0,1|0,0,1]=3 1631 B14R1.423 O=C(Nc1ccccc1)NCC(=O)O 1P00BLZF [0,1,0,0,0,1|1,0,1]=4 1632 B14R1.423 O=C(Nc1ccccn1)CCC(=O)O 1P00EFXN [0,1,0,0,0,1|1,0,1]=4 1633 B14R1.423 O=C(Nc1cccnc1)CCC(=O)O 1P007MY4 [0,1,0,0,0,1|1,0,1]=4 1634 B14R1.677 CC(=O)NCCOc1ccc(cc1)N 1P00JI17 [0,1,0,0,0,1|2,0,0]=4 1635 B14R1.677 CC(=O)NCCSc1ccc(cc1)O 1P0039KY [0,1,0,0,0,1|2,0,0]=4 1636 B14R1.677 CC(CNCCc1ccc(cc1)Cl)O 1P004ZNZ [0,1,0,0,0,1|1,0,1]=4 1637 B14R1.677 ClC(=O)OCCOc1ccc(cc1)Br 1P027YJ6 [0,1,0,0,0,1|2,0,0]=4 1638 B14R1.677 NC(=O)CCCCc1ccc(cc1)F 1P01AD9J [0,1,0,0,0,1|1,0,0]=3 1639 B14R1.677 NC(=O)CCCOc1ccc(cc1)F 1P01AARE [0,1,0,0,0,1|1,0,0]=3 1640 B14R1.677 OC(=O)CCCCc1ccc(cc1)Br 1P00BH4G [0,1,0,0,0,1|0,0,0]=2 1641 B14R1.677 OC(=O)CCCCc1ccc(cc1)C 1P008OUH [0,1,0,0,0,1|0,0,0]=2 1642 B14R1.677 OC(=O)CCCCc1ccc(cc1)Cl 1P00ASJO [0,1,0,0,0,1|0,0,0]=2 1643 B14R1.677 OC(=O)CCCCc1ccc(cc1)F 1P002ORB [0,1,0,0,0,1|0,0,0]=2 1644 B14R1.677 OC(=O)CCCCc1ccc(cc1)I 1P01A9Y9 [0,1,0,0,0,1|0,0,0]=2 1645 B14R1.677 OC(=O)CCCCc1ccc(cc1)O 1P003MMQ [0,1,0,0,0,1|0,0,0]=2 1646 B14R1.677 OC(=O)CCCNc1ccc(cc1)I 1P01AKC1 [0,1,0,0,0,1|0,0,0]=2 1647 B14R1.677 OC(=O)CCCNc1ccc(cc1)N 1P01AK6Q [0,1,0,0,0,1|0,0,0]=2 1648 B14R1.677 OC(=O)CCCOc1ccc(cc1)Br 1P00DIZ2 [0,1,0,0,0,1|0,0,0]=2 1649 B14R1.677 OC(=O)CCCOc1ccc(cc1)C 1P006ZXM [0,1,0,0,0,1|0,0,0]=2 1650 B14R1.677 OC(=O)CCCOc1ccc(cc1)Cl 1P00BZGL [0,1,0,0,0,1|0,0,0]=2 1651 B14R1.677 OC(=O)CCCOc1ccc(cc1)F 1P001NXQ [0,1,0,0,0,1|0,0,0]=2 1652 B14R1.677 OC(=O)CCCOc1ccc(cc1)I 1P019X7O [0,1,0,0,0,1|0,0,0]=2 1653 B14R1.677 OC(=O)CCCSc1ccc(cc1)Br 1P01AH6F [0,1,0,0,0,1|0,0,0]=2 1654 B14R1.677 OC(=O)CCCSc1ccc(cc1)C 1P002HFB [0,1,0,0,0,1|0,0,0]=2 1655 B14R1.677 OC(=O)CCCSc1ccc(cc1)Cl 1P002Y3I [0,1,0,0,0,1|0,0,0]=2 1656 B14R1.677 OC(=O)CCNCc1ccc(cc1)Cl 1P019VF0 [0,1,0,0,0,1|0,0,0]=2 1657 B14R1.677 OC(=O)CCNCc1ccc(cc1)F 1P019VGO [0,1,0,0,0,1|0,0,0]=2 1658 B14R1.677 OC(=O)CCSCc1ccc(cc1)C 1P0054YS [0,1,0,0,0,1|0,0,0]=2 1659 B14R1.677 OC(=O)CCSCc1ccc(cc1)F 1P006Y9Z [0,1,0,0,0,1|0,0,0]=2 1660 B14R1.677 OC(=O)CC\C=C\c1ccc(cc1)F 1P002F45 [0,1,0,0,0,1|0,0,1]=3 1661 B14R1.677 OC(=O)COCCc1ccc(cc1)Br 1P01E9I7 [0,1,0,0,0,1|0,0,0]=2 1662 B14R1.716 C=CC(=O)OCCOc1ccccc1 1P00DE77 [0,1,0,0,0,1|2,0,0]=4 1663 B14R1.716 C=CC(=O)OCCSc1ccccc1 1P01EEVA [0,1,0,0,0,1|2,0,0]=4 1664 B14R1.716 COC(=O)CCCCc1ccccc1 1P002B1L [0,1,0,0,0,1|0,0,0]=2 1665 B14R1.716 COC(=O)CCCSc1ccccc1 1P002Y3H [0,1,0,0,0,1|0,0,0]=2 1666 B14R1.716 COC(=O)CCNCc1ccccc1 1P002O60 [0,1,0,0,0,1|0,0,0]=2 1667 B14R1.716 COC(=O)CCNCc1ccccc1 1P00BLDW [0,1,0,0,0,1|0,0,0]=2 1668 B14R1.716 COC(=O)CCNCc1cccnc1 1P01A02N [0,1,0,0,0,1|1,0,0]=3 1669 B14R1.716 COC(=O)CCNCc1ccncc1 1P019ZHV [0,1,0,0,0,1|1,0,0]=3 1670 B14R1.716 COC(=O)CCOCc1ccccc1 1P00CJ99 [0,1,0,0,0,1|0,0,0]=2 1671 B14R1.716 COC(=O)CNCCc1ccccc1 1P01A5G2 [0,1,0,0,0,1|0,0,0]=2 1672 B14R1.716 COC(=O)OCC=Cc1ccccc1 1P004IL4 [0,1,0,0,0,1|0,0,2]=4 1673 B14R1.716 ClCC(=O)NCCCc1ccccc1 1P00ER44 [0,1,0,0,0,1|1,0,0]=3 1674 B14R1.716 ClCC(=O)NCCOc1ccccc1 1P00GT74 [0,1,0,0,0,1|2,0,0]=4 1675 B14R1.716 ClCC(=O)NCCSc1ccccc1 1P019OS9 [0,1,0,0,0,1|2,0,0]=4 1676 B14R1.716 NNC(=O)CCOCc1ccccc1 1P01DWUQ [0,1,0,0,0,1|1,0,0]=3 1677 B14R1.716 OCC(CCOCc1ccccc1)N 1P02933N [0,1,0,0,0,1|1,0,1]=4 1678 B14R1.716 OC[C@H](CCOCc1ccccc1)O 1P003D33 [0,1,0,0,0,1|0,0,2]=4 1679 B14R1.818 CC(CC(=O)O)CCc1ccccc1 1P01A85K [0,1,0,0,0,1|0,0,0]=2 1680 B14R1.818 CN(CC(=O)O)CCc1ccccc1 1P01BVJN [0,1,0,0,0,1|0,0,0]=2 1681 B14R1.818 C[C@@H](C[C@@H](O)C)OCc1ccccc1 1P000MH2 [0,1,0,0,0,1|1,0,1]=4 1682 B14R1.818 NC(CC(=O)O)CCc1ccccc1 1P00GT1H [0,1,0,0,0,1|0,0,0]=2 1683 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P001F6V [0,1,0,0,0,1|0,0,0]=2 1684 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P00CMOX [0,1,0,0,0,1|0,0,0]=2 1685 B14R1.818 N[C@H](CC(=O)O)CCc1ccccc1 1P00I4P3 [0,1,0,0,0,1|0,0,0]=2 1686 B14R1.818 O=C(CC(=O)C)NCc1ccccc1 1P003T88 [0,1,0,0,0,1|1,0,1]=4 1687 B14R1.818 O=C(CC(=O)C)OCc1ccccc1 1P003OKK [0,1,0,0,0,1|1,0,1]=4 1688 B14R1.818 O=C(CC(=O)O)OCc1ccccc1 1P0035QG [0,1,0,0,0,1|0,0,1]=3 1689 B14R1.3331 CC(CCNCc1ccccc1)(O)C 1P01DVU9 [0,1,0,0,0,1|1,0,1]=4 1690 B14R1.3331 ClS(=O)(=O)CCCOc1ccccc1 1P01ASEV [0,1,0,0,0,1|1,0,1]=4 1691 B14R1.3331 ClS(=O)(=O)CCOCc1ccccc1 1P01ANQJ [0,1,0,0,0,1|1,0,1]=4 1692 B14R1.3331 NS(=O)(=O)CCCCc1ccccc1 1P01XDGJ [0,1,0,0,0,1|1,0,1]=4 1693 B14R1.3331 NS(=O)(=O)CCOCc1ccccc1 1P01AMRE [0,1,0,0,0,1|1,0,1]=4 1694 B14R1.3331 OP(=O)(CCCCc1ccccc1)O 1P00DFA8 [0,1,0,0,0,1|1,0,0]=3 1695 B14R1.3331 OP(=O)(CCNCc1ccccc1)O 1P0293U5 [0,1,0,0,0,1|1,0,0]=3 1696 B14R1.3331 OS(=O)(=O)CCCC[n+]1ccccc1 1P0050D1 [0,1,0,0,0,1|2,0,0]=4 1697 B14R1.3331 OS(=O)(=O)CCCC[n+]1ccccc1 1P00G8I4 [0,1,0,0,0,1|2,0,0]=4 1698 B14R1.6449 C=C(C(=O)O)COCc1ccccc1 1P0282CL [0,1,0,0,0,1|0,0,1]=3 1699 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 1P019TJN [0,1,0,0,0,1|0,0,0]=2 1700 B14R1.6449 CC(C(=O)O)CNCc1ccccc1 1P019UB8 [0,1,0,0,0,1|0,0,0]=2 1701 B14R1.6449 CC(C(=O)O)COCc1ccccc1 1P019XXR [0,1,0,0,0,1|0,0,0]=2 1702 B14R1.6449 CC(C(=O)O)CSCc1ccccc1 1P0083WX [0,1,0,0,0,1|0,0,0]=2 1703 B14R1.6449 ClC(C(=O)O)COCc1ccccc1 1P01PYY2 [0,1,0,0,0,1|0,0,0]=2 1704 B14R1.6449 NC(C(=O)O)CCSc1ccccc1 1P01BCRF [0,1,0,0,0,1|0,0,0]=2 1705 B14R1.6449 NC(C(=O)O)CNCc1ccccc1 1P01BGUT [0,1,0,0,0,1|0,0,0]=2 1706 B14R1.6449 NC(C(=O)O)COCc1ccccc1 1P00DEP9 [0,1,0,0,0,1|0,0,0]=2 1707 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RN [0,1,0,0,0,1|0,0,0]=2 1708 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RO [0,1,0,0,0,1|0,0,0]=2 1709 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P007YLV [0,1,0,0,0,1|0,0,0]=2 1710 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P009DP0 [0,1,0,0,0,1|0,0,0]=2 1711 B14R1.6449 N[C@@H](C(=O)O)CSCc1ccccc1 1P002MF9 [0,1,0,0,0,1|0,0,0]=2 1712 B14R1.6449 N[C@H](C(=O)O)CCOc1ccccc1 1P01B761 [0,1,0,0,0,1|0,0,0]=2 1713 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P005X8X [0,1,0,0,0,1|0,0,0]=2 1714 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P00D8X0 [0,1,0,0,0,1|0,0,0]=2 1715 B14R1.6449 N[C@H](C(=O)O)CSCc1ccccc1 1P0030YO [0,1,0,0,0,1|0,0,0]=2 1716 B14R1.6449 OC(=O)C(CCCc1ccccc1)C 1P01A566 [0,1,0,0,0,1|0,0,0]=2 1717 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P002A24 [0,1,0,0,0,1|0,0,0]=2 1718 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P01AHR1 [0,1,0,0,0,1|0,0,0]=2 1719 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P027TRR [0,1,0,0,0,1|0,0,0]=2 1720 B14R1.6449 OC(=O)C(CCCc1ccccc1)O 1P01DJ2I [0,1,0,0,0,1|0,0,0]=2 1721 B14R1.6449 OC(=O)C(CSCc1cccnc1)C 1P02857E [0,1,0,0,0,1|1,0,0]=3 1722 B14R1.6449 OC(=O)C(C\C=C\c1ccccc1)C 1P028VHT [0,1,0,0,0,1|0,0,1]=3 1723 B14R1.6449 OC(=O)C(OCCc1ccccc1)C 1P01APJW [0,1,0,0,0,1|0,0,0]=2 1724 B14R1.6449 OC(=O)[C@@H](CC=Cc1ccccc1)N 1P002TW4 [0,1,0,0,0,1|0,0,1]=3 1725 B14R1.6449 OC(=O)[C@@H](CCCc1ccccc1)N 1P00C7KE [0,1,0,0,0,1|0,0,0]=2 1726 B14R1.6449 OC(=O)[C@H](CCCc1ccccc1)N 1P00E9LS [0,1,0,0,0,1|0,0,0]=2 1727 B14R1.6449 OC(=O)[C@H](C\C=C\c1ccccc1)N 1P00BCE1 [0,1,0,0,0,1|0,0,1]=3 1728 B14R1.6449 OC(C(=O)O)COCc1ccccc1 1P01DEAP [0,1,0,0,0,1|0,0,0]=2 1729 B14R1.6449 O[C@H](C(=O)O)COCc1ccccc1 1P000XUJ [0,1,0,0,0,1|0,0,0]=2 1730 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)Br 1P00EGES [0,2,0,0,0,0|0,0,1]=3 1731 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)Cl 1P00E9AX [0,2,0,0,0,0|0,0,1]=3 1732 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)F 1P0067F6 [0,2,0,0,0,0|0,0,1]=3 1733 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)N 1P00VURC [0,2,0,0,0,0|0,0,1]=3 1734 B14R1.149 OC(=O)CCC(c1cccc(c1)Cl)N 1P027L5W [0,2,0,0,0,0|0,0,0]=2 1735 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)Br 1P00EWBH [0,2,0,0,0,0|1,0,1]=4 1736 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)C 1P003K85 [0,2,0,0,0,0|1,0,1]=4 1737 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)Cl 1P00EBD1 [0,2,0,0,0,0|1,0,1]=4 1738 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)F 1P00CM44 [0,2,0,0,0,0|1,0,1]=4 1739 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)O 1P001USW [0,2,0,0,0,0|1,0,1]=4 1740 B14R1.160 NC(=O)OCC(c1ccccc1Cl)O 1P007565 [0,2,0,0,0,0|2,0,0]=4 1741 B14R1.160 OC(=O)CCC(=O)c1ccccc1Br 1P00GZBS [0,2,0,0,0,0|0,0,1]=3 1742 B14R1.160 OC(=O)CCC(=O)c1ccccc1Cl 1P007DL5 [0,2,0,0,0,0|0,0,1]=3 1743 B14R1.160 OC(=O)CCC(=O)c1ccccc1F 1P006QKV [0,2,0,0,0,0|0,0,1]=3 1744 B14R1.160 OC(=O)CCC(=O)c1ccccc1N 1P028HS5 [0,2,0,0,0,0|0,0,1]=3 1745 B14R1.160 OC(=O)CNC(=O)c1ccccc1Br 1P00522Z [0,2,0,0,0,0|1,0,1]=4 1746 B14R1.160 OC(=O)CNC(=O)c1ccccc1C 1P003I65 [0,2,0,0,0,0|1,0,1]=4 1747 B14R1.160 OC(=O)CNC(=O)c1ccccc1Cl 1P001WOP [0,2,0,0,0,0|1,0,1]=4 1748 B14R1.160 OC(=O)CNC(=O)c1ccccc1F 1P007AL7 [0,2,0,0,0,0|1,0,1]=4 1749 B14R1.160 OC(=O)CNC(=O)c1ccccc1I 1P003HXJ [0,2,0,0,0,0|1,0,1]=4 1750 B14R1.160 OC(=O)CNC(=O)c1ccccc1N 1P00BHLA [0,2,0,0,0,0|1,0,1]=4 1751 B14R1.160 OC(=O)CNC(=O)c1ccccc1O 1P00I99N [0,2,0,0,0,0|1,0,1]=4 1752 B14R1.160 OC(=O)CNC(=O)c1ccccc1O 1P02874J [0,2,0,0,0,0|1,0,1]=4 1753 B14R1.163 CNC(=O)CCC(c1ccccc1)N 1P0293Q0 [0,2,0,0,0,0|1,0,0]=3 1754 B14R1.163 COC(=O)CCC(=O)c1ccccc1 1P003S7Z [0,2,0,0,0,0|0,0,1]=3 1755 B14R1.163 COC(=O)CCC(c1ccccc1)N 1P01ABNG [0,2,0,0,0,0|0,0,0]=2 1756 B14R1.163 COC(=O)CNC(=O)c1ccccc1 1P008Y2U [0,2,0,0,0,0|1,0,1]=4 1757 B14R1.163 ClCC(=O)NCC(c1ccccc1)C 1P007ZUX [0,2,0,0,0,0|2,0,0]=4 1758 B14R1.163 NNC(=O)CNC(c1ccccc1)C 1P00F0XX [0,2,0,0,0,0|2,0,0]=4 1759 B14R1.415 CC(C(=O)O)CC(=O)c1ccccc1 1P0025KN [0,2,0,0,0,0|0,0,1]=3 1760 B14R1.415 CC(C(=O)O)NC(=O)c1ccccc1 1P003T7D [0,2,0,0,0,0|1,0,1]=4 1761 B14R1.415 CC(C(=O)O)SC(=S)c1ccccc1 1P008MIX [0,2,0,0,0,0|1,0,1]=4 1762 B14R1.415 CC(c1ccccc1)CC(C(=O)O)N 1P01FIUT [0,2,0,0,0,0|0,0,0]=2 1763 B14R1.415 C[C@@H](C(=O)O)NC(=O)c1ccccc1 1P00BDPX [0,2,0,0,0,0|1,0,1]=4 1764 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 1P0027N7 [0,2,0,0,0,0|1,0,1]=4 1765 B14R1.415 C[C@H](C(=O)O)OC(=O)c1ccccc1 1P01X089 [0,2,0,0,0,0|1,0,1]=4 1766 B14R1.415 NC(C(=O)O)CC(=O)c1ccccc1 1P00DKBR [0,2,0,0,0,0|0,0,1]=3 1767 B14R1.415 NC(C(=O)O)CN(c1ccccc1)C 1P01EA24 [0,2,0,0,0,0|1,0,0]=3 1768 B14R1.415 N[C@H](C(=O)O)CC(=O)c1ccccc1 1P01E34V [0,2,0,0,0,0|0,0,1]=3 1769 B14R1.415 O=C(c1ccccc1)CC(=C)C(=O)O 1P01KLJC [0,2,0,0,0,0|0,0,2]=4 1770 B14R1.415 O=C(c1ccccc1)CC(=O)C(=O)O 1P00ECFW [0,2,0,0,0,0|0,0,2]=4 1771 B14R1.415 OC(C(=O)O)NC(=O)c1ccccc1 1P001WON [0,2,0,0,0,0|1,0,1]=4 1772 B14R1.417 BrC(C(=O)c1ccccc1)CC(=O)O 1P00DDC2 [0,2,0,0,0,0|0,0,1]=3 1773 B14R1.417 CC(C(=O)c1ccccc1)CC(=O)O 1P00FKFL [0,2,0,0,0,0|0,0,1]=3 1774 B14R1.417 CN(C(=O)c1ccccc1)CC(=O)O 1P00C2AG [0,2,0,0,0,0|1,0,1]=4 1775 B14R1.540 COC(c1ccccc1)CSC(=O)C 1P028II1 [0,2,0,0,0,0|2,0,0]=4 1776 B14R1.540 OCC(c1ccccc1)COC(=O)N 1P007NKV [0,2,0,0,0,0|2,0,0]=4 1777 B14R1.678 CC(c1ccc(cc1)Br)CCC(=O)O 1P01ELQC [0,2,0,0,0,0|0,0,0]=2 1778 B14R1.678 CC1=CC=C(C=C1)C(CCC(=O)O)=C 1P01JJ9Q [0,2,0,0,0,0|0,0,1]=3 1779 B14R1.678 CN(c1ccc(cc1)N)CCC(=O)O 1P028H5H [0,2,0,0,0,0|1,0,0]=3 1780 B14R1.678 NC(c1ccc(cc1)C)CCC(=O)O 1P00230X [0,2,0,0,0,0|0,0,0]=2 1781 B14R1.678 O=C(c1ccc(cc1)Br)CCC(=O)O 1P0033X3 [0,2,0,0,0,0|0,0,1]=3 1782 B14R1.678 O=C(c1ccc(cc1)Br)NCC(=O)O 1P002H7T [0,2,0,0,0,0|1,0,1]=4 1783 B14R1.678 O=C(c1ccc(cc1)C)CCC(=O)O 1P003BQU [0,2,0,0,0,0|0,0,1]=3 1784 B14R1.678 O=C(c1ccc(cc1)C)CCC(=O)O 1P00ABOX [0,2,0,0,0,0|0,0,1]=3 1785 B14R1.678 O=C(c1ccc(cc1)C)NCC(=O)O 1P003M8P [0,2,0,0,0,0|1,0,1]=4 1786 B14R1.678 O=C(c1ccc(cc1)Cl)CCC(=O)O 1P003BQT [0,2,0,0,0,0|0,0,1]=3 1787 B14R1.678 O=C(c1ccc(cc1)Cl)NCC(=O)O 1P0080F0 [0,2,0,0,0,0|1,0,1]=4 1788 B14R1.678 O=C(c1ccc(cc1)F)CCC(=O)O 1P003IKZ [0,2,0,0,0,0|0,0,1]=3 1789 B14R1.678 O=C(c1ccc(cc1)F)NCC(=O)O 1P00CWOW [0,2,0,0,0,0|1,0,1]=4 1790 B14R1.678 O=C(c1ccc(cc1)I)CCC(=O)O 1P00755S [0,2,0,0,0,0|0,0,1]=3 1791 B14R1.678 O=C(c1ccc(cc1)N)CCC(=O)O 1P00FJ80 [0,2,0,0,0,0|0,0,1]=3 1792 B14R1.678 O=C(c1ccc(cc1)N)NCC(=O)O 1P00E9D9 [0,2,0,0,0,0|1,0,1]=4 1793 B14R1.678 OC(=O)CCC(=O)c1ccc(=O)[nH]c1 1P01RQQ4 [0,2,0,0,0,0|1,0,1]=4 1794 B14R1.678 OC(=O)CCC(=O)c1ccc(cc1)O 1P00EMHY [0,2,0,0,0,0|0,0,1]=3 1795 B14R1.678 OC(=O)CCC(=O)c1ccc(cn1)Cl 1P01AD78 [0,2,0,0,0,0|1,0,1]=4 1796 B14R1.678 OC(=O)CNC(=O)c1ccc(cc1)O 1P002Q0D [0,2,0,0,0,0|1,0,1]=4 1797 B14R1.813 OC(=O)CCC(c1ccccc1)(C)C 1P00VSVK [0,2,0,0,0,0|0,0,0]=2 1798 B14R1.813 OC(=O)CCC(c1ccccc1)(F)F 1P028OVJ [0,2,0,0,0,0|0,0,0]=2 1799 B14R1.813 OC(=O)CCP(=O)(c1ccccc1)O 1P001EMK [0,2,0,0,0,0|1,0,0]=3 1800 B14R1.813 OC(=O)CCS(=O)(=O)c1ccccc1 1P00057X [0,2,0,0,0,0|1,0,0]=3 1801 B14R1.813 OC(=O)CNS(=O)(=O)c1ccccc1 1P00DO1U [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.76 COc1cccc(c1)CCCC(=O)O 1P01A31N [0,2,0,0,0,0|0,0,0]=2 1803 B14R1.76 COc1cccc(c1)CNCC(=O)O 1P00G521 [0,2,0,0,0,0|1,0,0]=3 1804 B14R1.76 COc1cccc(c1)COCC(=O)O 1P00CNPQ [0,2,0,0,0,0|1,0,0]=3 1805 B14R1.76 COc1cccc(c1)NCCC(=O)O 1P00CZWD [0,2,0,0,0,0|1,0,0]=3 1806 B14R1.76 COc1cccc(c1)OCCC(=O)O 1P003IJ3 [0,2,0,0,0,0|1,0,0]=3 1807 B14R1.76 N#Cc1cccc(c1)CNCC(=O)O 1P019TX9 [0,2,0,0,0,0|1,0,0]=3 1808 B14R1.76 N#Cc1cccc(c1)OCCC(=O)O 1P002LJH [0,2,0,0,0,0|1,0,0]=3 1809 B14R1.76 O=Cc1cccc(c1)OCCC(=O)O 1P01A8BF [0,2,0,0,0,0|1,0,0]=3 1810 B14R1.154 Cc1c(OCCC(=O)O)cccc1C 1P019M3E [0,2,0,0,0,0|1,0,0]=3 1811 B14R1.154 OC(=O)CCOc1cccc(c1Cl)Cl 1P019VO6 [0,2,0,0,0,0|1,0,0]=3 1812 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 1P00C4EC [0,2,0,0,0,0|2,0,0]=4 1813 B14R1.687 CC(=O)OCCc1ccc(c(c1)O)O 1P006EAF [0,2,0,0,0,0|2,0,0]=4 1814 B14R1.687 NC(=O)CCOc1ccc(c(c1)C)N 1P01ABBV [0,2,0,0,0,0|2,0,0]=4 1815 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)C 1P00VSVH [0,2,0,0,0,0|0,0,0]=2 1816 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)F 1P00C942 [0,2,0,0,0,0|0,0,0]=2 1817 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)O 1P0075FE [0,2,0,0,0,0|0,0,0]=2 1818 B14R1.687 OC(=O)CCCc1ccc(c(c1)Cl)Cl 1P002R53 [0,2,0,0,0,0|0,0,0]=2 1819 B14R1.687 OC(=O)CCCc1ccc(c(c1)F)F 1P0080M1 [0,2,0,0,0,0|0,0,0]=2 1820 B14R1.687 OC(=O)CCCc1ccc(c(c1)F)O 1P01B23J [0,2,0,0,0,0|0,0,0]=2 1821 B14R1.687 OC(=O)CCNc1ccc(c(c1)Cl)C 1P019TYX [0,2,0,0,0,0|1,0,0]=3 1822 B14R1.687 OC(=O)CCOc1ccc(c(c1)C)C 1P019LRE [0,2,0,0,0,0|1,0,0]=3 1823 B14R1.687 OC(=O)CCOc1ccc(c(c1)Cl)Cl 1P019MUV [0,2,0,0,0,0|1,0,0]=3 1824 B14R1.687 OC(=O)CCOc1ccc(c(c1)Cl)F 1P019NY8 [0,2,0,0,0,0|1,0,0]=3 1825 B14R1.687 OC(=O)CCOc1ccc(c(c1)F)Cl 1P01B5EZ [0,2,0,0,0,0|1,0,0]=3 1826 B14R1.687 OC(=O)CCOc1ccc(c(c1)F)F 1P00GV35 [0,2,0,0,0,0|1,0,0]=3 1827 B14R1.687 OC(=O)CCSc1ccc(c(c1)C)C 1P007YUR [0,2,0,0,0,0|1,0,0]=3 1828 B14R1.687 OC(=O)CCSc1ccc(c(c1)F)F 1P019P03 [0,2,0,0,0,0|1,0,0]=3 1829 B14R1.687 OC(=O)CNCc1ccc(c(c1)Cl)Cl 1P00CHFT [0,2,0,0,0,0|1,0,0]=3 1830 B14R1.687 OC(=O)CSCc1ccc(c(c1)Cl)Cl 1P00ETAG [0,2,0,0,0,0|1,0,0]=3 1831 B14R1.1025 COC(=O)CCNc1cccc(c1)F 1P01ALAQ [0,2,0,0,0,0|1,0,0]=3 1832 B14R1.1025 COC(=O)CCNc1cccc(n1)C 1P01AJWB [0,2,0,0,0,0|2,0,0]=4 1833 B14R1.1025 COC(=O)CCSc1cccc(c1)N 1P01A35Y [0,2,0,0,0,0|1,0,0]=3 1834 B14R1.1025 COC(=O)CCSc1cccc(n1)Cl 1P01DWCF [0,2,0,0,0,0|2,0,0]=4 1835 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 1P01BDBU [0,2,0,0,0,0|1,0,0]=3 1836 B14R1.1025 COC(=O)CNCc1cccc(c1)F 1P019X46 [0,2,0,0,0,0|1,0,0]=3 1837 B14R1.1025 COC(=O)CNCc1cccc(c1)F 1P01A7WI [0,2,0,0,0,0|1,0,0]=3 1838 B14R1.1025 COC(=O)CSCc1cccc(c1)N 1P01AB4X [0,2,0,0,0,0|1,0,0]=3 1839 B14R1.1025 ClCC(=O)NCCc1cccc(c1)Cl 1P00C92Q [0,2,0,0,0,0|2,0,0]=4 1840 B14R1.1025 ONC(=O)CCOc1cccc(c1)C 1P019XEN [0,2,0,0,0,0|1,0,0]=3 1841 B14R1.4250 OC(=O)CCNc1cc(C)cc(c1)C 1P00C7CA [0,2,0,0,0,0|1,0,0]=3 1842 B14R1.4250 OC(=O)CCNc1cc(Cl)cc(c1)Cl 1P001N6T [0,2,0,0,0,0|1,0,0]=3 1843 B14R1.4250 OC(=O)CCOc1cc(C)cc(c1)C 1P019LS3 [0,2,0,0,0,0|1,0,0]=3 1844 B14R1.4250 OC(=O)CCOc1cc(Cl)cc(c1)Cl 1P019TCV [0,2,0,0,0,0|1,0,0]=3 1845 B14R1.4250 OC(=O)CCOc1cc(F)cc(c1)F 1P00GAH9 [0,2,0,0,0,0|1,0,0]=3 1846 B14R1.4250 OC(=O)CSCc1cc(C)cc(c1)C 1P00C91N [0,2,0,0,0,0|1,0,0]=3 1847 B14R1.5956 Clc1cccc(c1)CC=C(C(=O)O)O 1P02876P [0,2,0,0,0,0|0,0,2]=4 1848 B14R1.5956 OC(=O)C(CCc1cccc(c1)F)C 1P019SC2 [0,2,0,0,0,0|0,0,0]=2 1849 B14R1.5956 OC(=O)C(NCc1cccc(c1)F)C 1P019V4C [0,2,0,0,0,0|1,0,0]=3 1850 B14R1.5956 OC(=O)C(OCc1cccc(c1)C)C 1P01C0YH [0,2,0,0,0,0|1,0,0]=3 1851 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)C)N 1P01JN8L [0,2,0,0,0,0|0,0,0]=2 1852 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)Cl)N 1P01JNA9 [0,2,0,0,0,0|0,0,0]=2 1853 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)F)N 1P01JN8Q [0,2,0,0,0,0|0,0,0]=2 1854 B14R1.5956 OC(=O)[C@H](CCc1cccc(c1)Cl)N 1P01JN96 [0,2,0,0,0,0|0,0,0]=2 1855 B14R1.5956 OC(=O)[C@H](CCc1cccc(c1)F)N 1P01JN6D [0,2,0,0,0,0|0,0,0]=2 1856 B14R1.5978 CC(Cc1cccc(c1)F)CC(=O)O 1P019TR7 [0,2,0,0,0,0|0,0,0]=2 1857 B14R1.5978 CN(Cc1cccc(c1)Cl)CC(=O)O 1P028EA7 [0,2,0,0,0,0|1,0,0]=3 1858 B14R1.5978 NC(Cc1cccc(c1)C)CC(=O)O 1P006IOJ [0,2,0,0,0,0|0,0,0]=2 1859 B14R1.5978 N[C@@H](Cc1cccc(c1)Br)CC(=O)O 1P02843J [0,2,0,0,0,0|0,0,0]=2 1860 B14R1.5978 N[C@@H](Cc1cccc(c1)C)CC(=O)O 1P00BCHN [0,2,0,0,0,0|0,0,0]=2 1861 B14R1.5978 N[C@@H](Cc1cccc(c1)Cl)CC(=O)O 1P00BDLI [0,2,0,0,0,0|0,0,0]=2 1862 B14R1.5978 N[C@@H](Cc1cccc(c1)Cl)CC(=O)O 1P00CM3P [0,2,0,0,0,0|0,0,0]=2 1863 B14R1.5978 N[C@@H](Cc1cccc(c1)F)CC(=O)O 1P00BCHM [0,2,0,0,0,0|0,0,0]=2 1864 B14R1.5978 N[C@H](Cc1cccc(c1)Br)CC(=O)O 1P001UDY [0,2,0,0,0,0|0,0,0]=2 1865 B14R1.5978 N[C@H](Cc1cccc(c1)C)CC(=O)O 1P007MSG [0,2,0,0,0,0|0,0,0]=2 1866 B14R1.5978 N[C@H](Cc1cccc(c1)Cl)CC(=O)O 1P00I6WC [0,2,0,0,0,0|0,0,0]=2 1867 B14R1.5978 N[C@H](Cc1cccc(c1)F)CC(=O)O 1P00I6WF [0,2,0,0,0,0|0,0,0]=2 1868 B14R1.5978 O=C(Nc1cccc(c1)C)CC(=O)O 1P00J24M [0,2,0,0,0,0|1,0,1]=4 1869 B14R1.6072 Cc1cc(SCCC(=O)O)c(cc1)N 1P01AC11 [0,2,0,0,0,0|1,0,0]=3 1870 B14R1.6072 Cc1ccc(cc1CCCC(=O)O)C 1P001L8P [0,2,0,0,0,0|0,0,0]=2 1871 B14R1.6072 Cc1ccc(cc1OCCC(=O)O)C 1P00DIWA [0,2,0,0,0,0|1,0,0]=3 1872 B14R1.6072 OC(=O)CCCc1cc(F)ccc1F 1P01A3K6 [0,2,0,0,0,0|0,0,0]=2 1873 B14R1.6072 OC(=O)CCCc1cc(O)ccc1C 1P028JSM [0,2,0,0,0,0|0,0,0]=2 1874 B14R1.6072 OC(=O)CCOc1cc(Cl)ccc1Cl 1P019VLL [0,2,0,0,0,0|1,0,0]=3 1875 B14R1.6072 OC(=O)CCOc1cc(F)ccc1F 1P01A6SH [0,2,0,0,0,0|1,0,0]=3 1876 B14R1.6072 OC(=O)CCSc1cc(F)ccc1F 1P01AHSW [0,2,0,0,0,0|1,0,0]=3 1877 B14R1.96 CCc1ccccc1OCCC(=O)O 1P01BAHT [0,2,0,0,0,0|1,0,0]=3 1878 B14R1.96 COc1ccccc1CCCC(=O)O 1P00D1KD [0,2,0,0,0,0|0,0,0]=2 1879 B14R1.96 COc1ccccc1CNCC(=O)[O-] 1P00J1GJ [0,2,0,0,0,0|1,0,1]=4 1880 B14R1.96 COc1ccccc1COCC(=O)O 1P01BX35 [0,2,0,0,0,0|1,0,0]=3 1881 B14R1.96 COc1ccccc1NCCC(=O)N 1P019PCB [0,2,0,0,0,0|2,0,0]=4 1882 B14R1.96 COc1ccccc1NCCC(=O)O 1P00CJOX [0,2,0,0,0,0|1,0,0]=3 1883 B14R1.96 COc1ccccc1OCCC(=O)O 1P00BG2S [0,2,0,0,0,0|1,0,0]=3 1884 B14R1.96 O=Cc1ccccc1OCCC(=O)O 1P01A8LV [0,2,0,0,0,0|1,0,0]=3 1885 B14R1.161 OC(=O)C(=O)CCc1ccccc1Cl 1P028ZFM [0,2,0,0,0,0|0,0,1]=3 1886 B14R1.161 OC(=O)C(CCc1ccccc1Cl)N 1P000NSH [0,2,0,0,0,0|0,0,0]=2 1887 B14R1.161 OC(=O)C(CCc1ccccc1F)C 1P01AJPX [0,2,0,0,0,0|0,0,0]=2 1888 B14R1.161 OC(=O)C(CCc1ccccc1O)N 1P01DV2K [0,2,0,0,0,0|0,0,0]=2 1889 B14R1.161 OC(=O)C(COc1ccccc1C)O 1P002S62 [0,2,0,0,0,0|1,0,0]=3 1890 B14R1.161 OC(=O)C(NCc1ccccc1Cl)C 1P019V4F [0,2,0,0,0,0|1,0,0]=3 1891 B14R1.161 OC(=O)C(OCc1ccccc1C)C 1P01BVAB [0,2,0,0,0,0|1,0,0]=3 1892 B14R1.161 OC(=O)[C@@H](CCc1ccccc1C)N 1P01JN9N [0,2,0,0,0,0|0,0,0]=2 1893 B14R1.161 OC(=O)[C@H](CCc1ccccc1C)N 1P01JN9G [0,2,0,0,0,0|0,0,0]=2 1894 B14R1.161 OC(=O)[C@H](CCc1ccccc1Cl)N 1P01JNA0 [0,2,0,0,0,0|0,0,0]=2 1895 B14R1.161 OC(=O)[C@H](CCc1ccccc1F)N 1P01JN77 [0,2,0,0,0,0|0,0,0]=2 1896 B14R1.337 CN(Cc1ccccc1Cl)CC(=O)O 1P02852R [0,2,0,0,0,0|1,0,0]=3 1897 B14R1.337 CN(Cc1ccccc1F)CC(=O)O 1P00J1EH [0,2,0,0,0,0|1,0,0]=3 1898 B14R1.337 N[C@@H](Cc1ccccc1Br)CC(=O)O 1P00I8DO [0,2,0,0,0,0|0,0,0]=2 1899 B14R1.337 N[C@@H](Cc1ccccc1C)CC(=O)O 1P00BG46 [0,2,0,0,0,0|0,0,0]=2 1900 B14R1.337 N[C@@H](Cc1ccccc1F)CC(=O)O 1P002PHM [0,2,0,0,0,0|0,0,0]=2 1901 B14R1.337 N[C@H](Cc1ccccc1Br)CC(=O)O 1P00I8CQ [0,2,0,0,0,0|0,0,0]=2 1902 B14R1.337 N[C@H](Cc1ccccc1C)CC(=O)O 1P00I5KB [0,2,0,0,0,0|0,0,0]=2 1903 B14R1.337 N[C@H](Cc1ccccc1Cl)CC(=O)O 1P003CQ8 [0,2,0,0,0,0|0,0,0]=2 1904 B14R1.337 N[C@H](Cc1ccccc1F)CC(=O)O 1P00I6WE [0,2,0,0,0,0|0,0,0]=2 1905 B14R1.337 O=C(Nc1ccccc1F)CC(=O)O 1P016KT5 [0,2,0,0,0,0|1,0,1]=4 1906 B14R1.337 O=C(Nc1ccccc1O)CC(=O)O 1P002LMP [0,2,0,0,0,0|1,0,1]=4 1907 B14R1.837 COC(=O)CCCc1ccccc1O 1P01FT19 [0,2,0,0,0,0|0,0,0]=2 1908 B14R1.837 COC(=O)CCNc1ccccc1C 1P01ACA7 [0,2,0,0,0,0|1,0,0]=3 1909 B14R1.837 COC(=O)CCOc1ccccc1N 1P019SJH [0,2,0,0,0,0|1,0,0]=3 1910 B14R1.837 COC(=O)CCSc1ncccc1N 1P01A7BD [0,2,0,0,0,0|2,0,0]=4 1911 B14R1.837 COC(=O)CNCc1ccccc1C 1P019XB0 [0,2,0,0,0,0|1,0,0]=3 1912 B14R1.837 COC(=O)CNCc1ccccc1Cl 1P019W0B [0,2,0,0,0,0|1,0,0]=3 1913 B14R1.837 ClCC(=O)NCCc1ccccc1C 1P007L9E [0,2,0,0,0,0|2,0,0]=4 1914 B14R1.837 ClCC(=O)NCCc1ccccc1F 1P007ZUY [0,2,0,0,0,0|2,0,0]=4 1915 B14R1.4464 OC(=O)CCCc1ccc(cc1Cl)Cl 1P01JMMG [0,2,0,0,0,0|0,0,0]=2 1916 B14R1.4464 OC(=O)CCNc1ccc(cc1C)C 1P01E6N7 [0,2,0,0,0,0|1,0,0]=3 1917 B14R1.4464 OC(=O)CCOc1ccc(cc1Br)C 1P019XCS [0,2,0,0,0,0|1,0,0]=3 1918 B14R1.4464 OC(=O)CCOc1ccc(cc1Br)Cl 1P019XCN [0,2,0,0,0,0|1,0,0]=3 1919 B14R1.4464 OC(=O)CCOc1ccc(cc1C)C 1P019LZD [0,2,0,0,0,0|1,0,0]=3 1920 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)C 1P01C86U [0,2,0,0,0,0|1,0,0]=3 1921 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)Cl 1P019VO3 [0,2,0,0,0,0|1,0,0]=3 1922 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)F 1P019VLK [0,2,0,0,0,0|1,0,0]=3 1923 B14R1.4464 OC(=O)CCOc1ccc(cc1F)Br 1P01ALBC [0,2,0,0,0,0|1,0,0]=3 1924 B14R1.4464 OC(=O)CCOc1ccc(cc1F)F 1P005GIR [0,2,0,0,0,0|1,0,0]=3 1925 B14R1.4464 OC(=O)CSCc1ccc(cc1Cl)Cl 1P019XPU [0,2,0,0,0,0|1,0,0]=3 1926 B14R1.4464 OC(=O)CSCc1ccc(cc1F)Br 1P01A8N2 [0,2,0,0,0,0|1,0,0]=3 1927 B14R1.4920 OC(=O)CCCc1c(F)cccc1F 1P01B2WE [0,2,0,0,0,0|0,0,0]=2 1928 B14R1.4920 OC(=O)CCOc1c(C)cccc1C 1P019MSO [0,2,0,0,0,0|1,0,0]=3 1929 B14R1.4920 OC(=O)CCOc1c(F)cccc1Cl 1P01DW3L [0,2,0,0,0,0|1,0,0]=3 1930 B14R1.4920 OC(=O)CNCc1c(F)cccc1Cl 1P019VNP [0,2,0,0,0,0|1,0,0]=3 1931 B14R1.425 CC(C(=O)C(=O)O)Cc1ccccc1 1P00551V [0,2,0,0,0,0|0,0,1]=3 1932 B14R1.425 CC(C(=O)O)C(=O)Nc1ccccc1 1P01XC6G [0,2,0,0,0,0|1,0,1]=4 1933 B14R1.425 CC(C(=O)O)N(Cc1ccccc1)C 1P01AJXJ [0,2,0,0,0,0|1,0,0]=3 1934 B14R1.425 CC(N(C(=O)C)C)Cc1ccccc1 1P002V66 [0,2,0,0,0,0|2,0,0]=4 1935 B14R1.425 C[C@@H](C(=O)O)N(Cc1ccccc1)C 1P00EGC7 [0,2,0,0,0,0|1,0,0]=3 1936 B14R1.425 NC(C(C(=O)N)O)Cc1ccccc1 1P01BY3R [0,2,0,0,0,0|1,0,0]=3 1937 B14R1.425 NC(C(C(=O)N)O)Cc1ccccc1 1P01BY4O [0,2,0,0,0,0|1,0,0]=3 1938 B14R1.425 N[C@@H]([C@@H](C(=O)N)O)Cc1ccccc1 1P028YAG [0,2,0,0,0,0|1,0,0]=3 1939 B14R1.425 N[C@@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P000YCQ [0,2,0,0,0,0|0,0,0]=2 1940 B14R1.425 N[C@@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P00EB5Q [0,2,0,0,0,0|0,0,0]=2 1941 B14R1.425 N[C@H](C(C(=O)O)O)Cc1ccccc1 1P0285Q6 [0,2,0,0,0,0|0,0,0]=2 1942 B14R1.425 N[C@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P00E94Y [0,2,0,0,0,0|0,0,0]=2 1943 B14R1.425 N[C@H]([C@H](C(=O)O)O)Cc1ccccc1 1P00EJ28 [0,2,0,0,0,0|0,0,0]=2 1944 B14R1.425 OC(C(C(=O)O)N)Cc1ccccc1 1P01BFMB [0,2,0,0,0,0|0,0,0]=2 1945 B14R1.549 CCC(Cc1ccccc1)CC(=O)O 1P01E7HJ [0,2,0,0,0,0|0,0,0]=2 1946 B14R1.549 CNC(Cc1ccccc1)CC(=O)O 1P01BBA3 [0,2,0,0,0,0|0,0,0]=2 1947 B14R1.549 CN[C@@H](Cc1ccccc1)CC(=O)O 1P028ROS [0,2,0,0,0,0|0,0,0]=2 1948 B14R1.549 NCC(Cc1ccccc1)CC(=O)O 1P01B2XR [0,2,0,0,0,0|0,0,0]=2 1949 B14R1.549 OC[C@H](Cc1ccccc1)NC(=O)C 1P01ENI2 [0,2,0,0,0,0|2,0,0]=4 1950 B14R1.698 CC(Cc1ccc(cc1)Cl)CC(=O)O 1P01A4UQ [0,2,0,0,0,0|0,0,0]=2 1951 B14R1.698 CC(Sc1ccc(cc1)Cl)CC(=O)O 1P003IKS [0,2,0,0,0,0|1,0,0]=3 1952 B14R1.698 CN(Cc1ccc(cc1)C)CC(=O)O 1P00J2KD [0,2,0,0,0,0|1,0,0]=3 1953 B14R1.698 NC(Cc1ccc(cc1)F)CC(=O)O 1P005XVC [0,2,0,0,0,0|0,0,0]=2 1954 B14R1.698 NC(Cc1ccc(cc1)O)CC(=O)O 1P00IMR1 [0,2,0,0,0,0|0,0,0]=2 1955 B14R1.698 N[C@@H](Cc1ccc(cc1)Br)CC(=O)O 1P00BFY4 [0,2,0,0,0,0|0,0,0]=2 1956 B14R1.698 N[C@@H](Cc1ccc(cc1)C)CC(=O)O 1P00BEBQ [0,2,0,0,0,0|0,0,0]=2 1957 B14R1.698 N[C@@H](Cc1ccc(cc1)Cl)CC(=O)O 1P00BCHK [0,2,0,0,0,0|0,0,0]=2 1958 B14R1.698 N[C@@H](Cc1ccc(cc1)F)CC(=O)O 1P00BCHI [0,2,0,0,0,0|0,0,0]=2 1959 B14R1.698 N[C@@H](Cc1ccc(cc1)I)CC(=O)O 1P007MNJ [0,2,0,0,0,0|0,0,0]=2 1960 B14R1.698 N[C@@H](Cc1ccc(cc1)O)CC(=O)O 1P00C8A4 [0,2,0,0,0,0|0,0,0]=2 1961 B14R1.698 N[C@H](Cc1ccc(cc1)Br)CC(=O)O 1P00I6WH [0,2,0,0,0,0|0,0,0]=2 1962 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00261M [0,2,0,0,0,0|0,0,0]=2 1963 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00CMPE [0,2,0,0,0,0|0,0,0]=2 1964 B14R1.698 N[C@H](Cc1ccc(cc1)Cl)CC(=O)O 1P005PK5 [0,2,0,0,0,0|0,0,0]=2 1965 B14R1.698 N[C@H](Cc1ccc(cc1)Cl)CC(=O)O 1P00I6WD [0,2,0,0,0,0|0,0,0]=2 1966 B14R1.698 N[C@H](Cc1ccc(cc1)F)CC(=O)O 1P00I6WG [0,2,0,0,0,0|0,0,0]=2 1967 B14R1.698 N[C@H](Cc1ccc(cc1)I)CC(=O)O 1P00I5K7 [0,2,0,0,0,0|0,0,0]=2 1968 B14R1.698 O=C(Nc1ccc(cc1)Br)CC(=O)O 1P00IR9B [0,2,0,0,0,0|1,0,1]=4 1969 B14R1.698 O=C(Nc1ccc(cc1)C)CC(=O)O 1P005T43 [0,2,0,0,0,0|1,0,1]=4 1970 B14R1.698 O=C(Nc1ccc(cc1)F)CC(=O)O 1P00IJD5 [0,2,0,0,0,0|1,0,1]=4 1971 B14R1.698 O=C(Nc1ccc(cc1)N)CC(=O)O 1P01BW4C [0,2,0,0,0,0|1,0,1]=4 1972 B14R1.698 OC(=O)CS(=O)Cc1ccc(cc1)Br 1P01A2M1 [0,2,0,0,0,0|1,0,0]=3 1973 B14R1.743 CNC(=O)C[C@H](Cc1ccccc1)N 1P027TPK [0,2,0,0,0,0|1,0,0]=3 1974 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1P003S9X [0,2,0,0,0,0|0,0,1]=3 1975 B14R1.743 COC(=O)CC(Cc1ccccc1)N 1P0001JS [0,2,0,0,0,0|0,0,0]=2 1976 B14R1.743 COC(=O)C[C@@H](Cc1ccccc1)N 1P00I0CZ [0,2,0,0,0,0|0,0,0]=2 1977 B14R1.743 COC(=O)C[C@H](Cc1ccccc1)N 1P00I27Z [0,2,0,0,0,0|0,0,0]=2 1978 B14R1.743 COC(=O)NC(Cc1ccccc1)C 1P01AV9V [0,2,0,0,0,0|1,0,0]=3 1979 B14R1.1485 CC(=O)CC(Nc1ccccc1)(C)C 1P004EIS [0,2,0,0,0,0|2,0,0]=4 1980 B14R1.1485 CC(=O)OC(Cc1ccccc1)(C)C 1P001NGS [0,2,0,0,0,0|2,0,0]=4 1981 B14R1.1485 OC(=O)CC(Cc1ccccc1)(C)C 1P01G4KY [0,2,0,0,0,0|0,0,0]=2 1982 B14R1.1485 OC(=O)CC(Cc1ccccc1)(F)F 1P0292QZ [0,2,0,0,0,0|0,0,0]=2 1983 B14R1.1485 OC(=O)CS(=O)(=O)Cc1ccccn1 1P019NNS [0,2,0,0,0,0|2,0,0]=4 1984 B14R1.1485 OC(=O)CS(=O)(=O)Cc1cccnc1 1P019NNY [0,2,0,0,0,0|2,0,0]=4 1985 B14R1.1485 OC(=O)CS(=O)(=O)Cc1ccncc1 1P019W9G [0,2,0,0,0,0|2,0,0]=4 1986 B14R1.679 CC(C(=O)O)CCc1ccc(cc1)F 1P01C0I1 [0,2,0,0,0,0|0,0,0]=2 1987 B14R1.679 CC(C(=O)O)CSc1ccc(cc1)F 1P019ZTW [0,2,0,0,0,0|1,0,0]=3 1988 B14R1.679 CC(C(=O)O)NCc1ccc(cc1)F 1P019VFV [0,2,0,0,0,0|1,0,0]=3 1989 B14R1.679 CC(C(=O)O)OCc1ccc(cc1)C 1P01BV9S [0,2,0,0,0,0|1,0,0]=3 1990 B14R1.679 CC(C(=O)O)OCc1ccc(cc1)F 1P01AUT2 [0,2,0,0,0,0|1,0,0]=3 1991 B14R1.679 CC(C(=O)O)SCc1ccc(cc1)Br 1P019OA1 [0,2,0,0,0,0|1,0,0]=3 1992 B14R1.679 CC(C(=O)O)SCc1ccc(cc1)Cl 1P0017K0 [0,2,0,0,0,0|1,0,0]=3 1993 B14R1.679 C[C@@H](C(=O)O)NCc1ccc(cc1)Cl 1P01B9Q3 [0,2,0,0,0,0|1,0,0]=3 1994 B14R1.679 C[C@@H](C(=O)O)OCc1ccc(cc1)Cl 1P0288DT [0,2,0,0,0,0|1,0,0]=3 1995 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Br 1P01JKSA [0,2,0,0,0,0|0,0,0]=2 1996 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Br 1P028EOB [0,2,0,0,0,0|0,0,0]=2 1997 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Cl 1P01JKRN [0,2,0,0,0,0|0,0,0]=2 1998 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)F 1P01B9DB [0,2,0,0,0,0|0,0,0]=2 1999 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)Br 1P01JN8R [0,2,0,0,0,0|0,0,0]=2 2000 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)C 1P01JNAX [0,2,0,0,0,0|0,0,0]=2 2001 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)F 1P01JN6O [0,2,0,0,0,0|0,0,0]=2 2002 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)Br 1P01EB83 [0,2,0,0,0,0|0,0,0]=2 2003 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)C 1P01JNCB [0,2,0,0,0,0|0,0,0]=2 2004 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)Cl 1P01JNBE [0,2,0,0,0,0|0,0,0]=2 2005 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)F 1P01JN6V [0,2,0,0,0,0|0,0,0]=2 2006 B14R1.679 O=C(C(=O)O)CCc1ccc(cc1)Cl 1P028KNL [0,2,0,0,0,0|0,0,1]=3 2007 B14R1.679 O=C(C(=O)O)NCc1ccc(cc1)F 1P01AL9S [0,2,0,0,0,0|1,0,1]=4 2008 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P00AQ5W [0,2,0,0,0,0|0,0,0]=2 2009 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P01EC6W [0,2,0,0,0,0|0,0,0]=2 2010 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P001HST [0,2,0,0,0,0|0,0,0]=2 2011 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P00I4TC [0,2,0,0,0,0|0,0,0]=2 2012 B14R1.756 C=CC(=O)N(CCc1ccccc1)C 1P028WGB [0,2,0,0,0,0|2,0,0]=4 2013 B14R1.756 COC(=O)C(CCc1ccccc1)N 1P004S0W [0,2,0,0,0,0|0,0,0]=2 2014 B14R1.756 COC(=O)C(OCc1ccccc1)C 1P01A7B6 [0,2,0,0,0,0|1,0,0]=3 2015 B14R1.756 COC(=O)[C@@H](NCc1ccccc1)C 1P001RTC [0,2,0,0,0,0|1,0,0]=3 2016 B14R1.756 COC(=O)[C@@H](NCc1ccccc1)C 1P00AD7P [0,2,0,0,0,0|1,0,0]=3 2017 B14R1.756 COC(=O)[C@@H](OCc1ccccc1)C 1P01QXVA [0,2,0,0,0,0|1,0,0]=3 2018 B14R1.756 COC(=O)[C@H](NCc1ccccc1)C 1P01B9OT [0,2,0,0,0,0|1,0,0]=3 2019 B14R1.756 COC(=O)[C@H](OCc1ccccc1)C 1P000GGU [0,2,0,0,0,0|1,0,0]=3 2020 B14R1.4194 CCC(C(=O)O)CCc1ccccc1 1P020N8Y [0,2,0,0,0,0|0,0,0]=2 2021 B14R1.4194 CCC(C(=O)O)COc1ccccc1 1P028H76 [0,2,0,0,0,0|1,0,0]=3 2022 B14R1.4194 COC(C(=O)O)COc1ccccc1 1P028EKK [0,2,0,0,0,0|1,0,0]=3 2023 B14R1.4194 N#CC(C(=O)[O-])CCc1ccccc1 1P01BECL [0,2,0,0,0,0|0,0,1]=3 2024 B14R1.4194 OCC(C(=O)O)NCc1ccccc1 1P009L5Q [0,2,0,0,0,0|1,0,0]=3 2025 B14R1.4194 OC[C@@H](C(=O)O)NCc1ccccc1 1P003RTL [0,2,0,0,0,0|1,0,0]=3 2026 B14R1.4194 OC[C@H](C(=O)O)NCc1ccccc1 1P0083BD [0,2,0,0,0,0|1,0,0]=3 2027 B14R1.6395 CC(=O)C(COc1ccccc1)(O)C 1P028KIT [0,2,0,0,0,0|2,0,0]=4 2028 B14R1.6395 NC(=O)C(COc1ccccc1)(N)C 1P028M3K [0,2,0,0,0,0|2,0,0]=4 2029 B14R1.6395 OC(=O)C(CCc1ccccc1)(F)F 1P01ENB4 [0,2,0,0,0,0|0,0,0]=2 2030 B14R1.6395 OC(=O)C(CCc1ccccc1)(N)C 1P00E1LT [0,2,0,0,0,0|0,0,0]=2 2031 B14R1.6395 OC(=O)C(CCc1ccccc1)(N)C 1P019VX1 [0,2,0,0,0,0|0,0,0]=2 2032 B14R1.6395 OC(=O)C(CCc1ccccc1)(O)C 1P01B99L [0,2,0,0,0,0|0,0,0]=2 2033 B14R1.6395 OC(=O)C(COc1ccccc1)(N)C 1P01FIV3 [0,2,0,0,0,0|1,0,0]=3 2034 B14R1.6395 OC(=O)C(NCc1ccccn1)(C)C 1P027WR1 [0,2,0,0,0,0|2,0,0]=4 2035 B14R1.6395 OC(=O)C(\C=C\c1ccccc1)(F)F 1P028FPV [0,2,0,0,0,0|0,0,2]=4 2036 B14R1.4 C#Cc1ccc(cc1)CCCC(=O)O 1P028YU1 [0,2,0,0,0,0|0,0,0]=2 2037 B14R1.4 CCc1ccc(cc1)CCCC(=O)O 1P00D9F0 [0,2,0,0,0,0|0,0,0]=2 2038 B14R1.4 CCc1ccc(cc1)OCCC(=O)O 1P01AC4M [0,2,0,0,0,0|1,0,0]=3 2039 B14R1.4 COc1ccc(cc1)CCCC(=O)O 1P003KKY [0,2,0,0,0,0|0,0,0]=2 2040 B14R1.4 COc1ccc(cc1)CCNC(=O)N 1P00AJSV [0,2,0,0,0,0|2,0,0]=4 2041 B14R1.4 COc1ccc(cc1)CNCC(=O)O 1P002K4F [0,2,0,0,0,0|1,0,0]=3 2042 B14R1.4 COc1ccc(cc1)COCC(=O)O 1P0048P6 [0,2,0,0,0,0|1,0,0]=3 2043 B14R1.4 COc1ccc(cc1)NCCC(=O)N 1P002L3G [0,2,0,0,0,0|2,0,0]=4 2044 B14R1.4 COc1ccc(cc1)NCCC(=O)O 1P0026IB [0,2,0,0,0,0|1,0,0]=3 2045 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1P01C0YU [0,2,0,0,0,0|2,0,0]=4 2046 B14R1.4 COc1ccc(cc1)OCCC(=O)O 1P002JYD [0,2,0,0,0,0|1,0,0]=3 2047 B14R1.4 COc1ccc(cc1)SCCC(=O)O 1P0013OZ [0,2,0,0,0,0|1,0,0]=3 2048 B14R1.4 COc1ccc(cn1)COCC(=O)O 1P01BW2Q [0,2,0,0,0,0|2,0,0]=4 2049 B14R1.4 CSc1ccc(cc1)CCCC(=O)O 1P01C4K1 [0,2,0,0,0,0|0,0,0]=2 2050 B14R1.4 N#Cc1ccc(cc1)CCCC(=O)O 1P01B240 [0,2,0,0,0,0|0,0,0]=2 2051 B14R1.4 N#Cc1ccc(cc1)CSCC(=O)O 1P00JMH9 [0,2,0,0,0,0|1,0,0]=3 2052 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)O 1P003IKT [0,2,0,0,0,0|1,0,0]=3 2053 B14R1.4 N#Cc1ccc(cc1)SCCC(=O)O 1P007BLR [0,2,0,0,0,0|1,0,0]=3 2054 B14R1.4 NCc1ccc(cc1)CCCC(=O)O 1P01FIUW [0,2,0,0,0,0|0,0,0]=2 2055 B14R1.4 O=Cc1ccc(cc1)OCCC(=O)O 1P00FEKJ [0,2,0,0,0,0|1,0,0]=3 2056 B14R1.13 CNC(=O)CCOc1ccc(cc1)N 1P01ABIQ [0,2,0,0,0,0|2,0,0]=4 2057 B14R1.13 COC(=O)C#CCc1ccc(cc1)C 1P028A0W [0,2,0,0,0,0|0,0,2]=4 2058 B14R1.13 COC(=O)CCCc1ccc(cc1)Br 1P00IKK3 [0,2,0,0,0,0|0,0,0]=2 2059 B14R1.13 COC(=O)CCCc1ccc(cc1)N 1P002IXH [0,2,0,0,0,0|0,0,0]=2 2060 B14R1.13 COC(=O)CCNc1ccc(cc1)C 1P019VY6 [0,2,0,0,0,0|1,0,0]=3 2061 B14R1.13 COC(=O)CCNc1ccc(cc1)O 1P003S7B [0,2,0,0,0,0|1,0,0]=3 2062 B14R1.13 COC(=O)CCOc1ccc(cc1)N 1P01A8H5 [0,2,0,0,0,0|1,0,0]=3 2063 B14R1.13 COC(=O)CCSc1ccc(cc1)N 1P0287CJ [0,2,0,0,0,0|1,0,0]=3 2064 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 1P0288KM [0,2,0,0,0,0|1,0,0]=3 2065 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 1P028SEQ [0,2,0,0,0,0|1,0,0]=3 2066 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 1P019VIU [0,2,0,0,0,0|1,0,0]=3 2067 B14R1.13 ClCC(=O)NCCc1ccc(cc1)Cl 1P007ADV [0,2,0,0,0,0|2,0,0]=4 2068 B14R1.13 ClCC(=O)NCCc1ccc(cc1)F 1P00C0KU [0,2,0,0,0,0|2,0,0]=4 2069 B14R1.13 NNC(=O)CCSc1ccc(cc1)C 1P0054XS [0,2,0,0,0,0|2,0,0]=4 2070 B14R1.13 NNC(=O)CCSc1ccc(cc1)F 1P019JB4 [0,2,0,0,0,0|2,0,0]=4 2071 B14R1.520 C=COC(=O)CCCc1ccccc1 1P01JX4G [0,2,0,0,0,0|0,0,0]=2 2072 B14R1.520 CCCC(=O)OCCc1ccccc1 1P003U4O [0,2,0,0,0,0|2,0,0]=4 2073 B14R1.520 CCOC(=O)C#CCc1ccccc1 1P01A6O7 [0,2,0,0,0,0|0,0,2]=4 2074 B14R1.520 CCOC(=O)C=CCc1ccccc1 1P00D9I8 [0,2,0,0,0,0|0,0,2]=4 2075 B14R1.520 CCOC(=O)CCCc1ccccc1 1P00021I [0,2,0,0,0,0|0,0,0]=2 2076 B14R1.520 CCOC(=O)CCNc1ccccc1 1P00ELAU [0,2,0,0,0,0|1,0,0]=3 2077 B14R1.520 CCOC(=O)CCNc1ccccn1 1P003QMV [0,2,0,0,0,0|2,0,0]=4 2078 B14R1.520 CCOC(=O)CN=Cc1ccccc1 1P00CM7A [0,2,0,0,0,0|1,0,1]=4 2079 B14R1.520 CCOC(=O)CNCc1ccccc1 1P003915 [0,2,0,0,0,0|1,0,0]=3 2080 B14R1.520 CCOC(=O)CNCc1ccccc1 1P00E9A0 [0,2,0,0,0,0|1,0,0]=3 2081 B14R1.520 CCOC(=O)CNCc1ccccn1 1P003SQS [0,2,0,0,0,0|2,0,0]=4 2082 B14R1.520 CCOC(=O)COCc1ccccc1 1P0035AW [0,2,0,0,0,0|1,0,0]=3 2083 B14R1.520 CCOC(=O)CSCc1ccccc1 1P002VLH [0,2,0,0,0,0|1,0,0]=3 2084 B14R1.520 CCOC(=O)C\C=C\c1ccccc1 1P007Q9I [0,2,0,0,0,0|0,0,2]=4 2085 B14R1.520 CCOC(=O)NCCc1ccccc1 1P006987 [0,2,0,0,0,0|1,0,0]=3 2086 B14R1.520 CCOC(=O)NOCc1ccccc1 1P00DUEC [0,2,0,0,0,0|2,0,0]=4 2087 B14R1.520 ClCCC(=O)NCCc1ccccc1 1P00BFMN [0,2,0,0,0,0|2,0,0]=4 2088 B14R1.520 N#CCC(=O)NCCc1ccccc1 1P00DD62 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.81 O=Cc1cccn1CCC(=O)O 1P00VU2P [0,0,1,1,0,0|2,0,0]=4 2090 B12R1.255 OC(=O)CCCCc1cccs1 1P002L16 [0,0,1,1,0,0|1,0,1]=4 2091 B12R1.255 OC(=O)CCCCn1cccc1 1P001DLL [0,0,1,1,0,0|1,0,1]=4 2092 B12R2.1 BrCC1CCc2c1cccc2 1P00BK9T [1,0,0,1,0,0|1,0,1]=4 2093 B12R2.1 CNC1CCc2c1cccc2 1P002K5A [1,0,0,1,0,0|2,0,0]=4 2094 B12R2.1 CN[C@@H]1CCc2c1cccc2 1P027URY [1,0,0,1,0,0|2,0,0]=4 2095 B12R2.1 N#CC1CCc2c1cccc2 1P002TQT [1,0,0,1,0,0|1,0,1]=4 2096 B12R2.1 NCC1CCc2c1cccc2 1P009331 [1,0,0,1,0,0|1,0,1]=4 2097 B12R2.1 NCC1CCc2c1cccc2 1P00D8W6 [1,0,0,1,0,0|1,0,1]=4 2098 B12R2.1 NNC1CCc2c1cccc2 1P028PDT [1,0,0,1,0,0|2,0,0]=4 2099 B12R2.1 O=CC1CCc2c1cccc2 1P01AH7Z [1,0,0,1,0,0|0,0,0]=2 2100 B12R2.1 O=CN1CCc2c1cccc2 1P002WC1 [1,0,0,1,0,0|1,0,0]=3 2101 B12R2.1 O=NN1CCc2c1cccc2 1P00G9SU [1,0,0,1,0,0|2,0,0]=4 2102 B12R2.1 OCC1CCc2c1cccc2 1P000PPG [1,0,0,1,0,0|0,0,1]=3 2103 B12R2.1 OCC1CCc2c1nccc2 1P01BI2K [1,0,0,1,0,0|1,0,1]=4 2104 B12R2.1 OCC1CNc2c1cccc2 1P00II7A [1,0,0,1,0,0|1,0,1]=4 2105 B12R2.1 OCC1CNc2c1cccc2 1P01AMHG [1,0,0,1,0,0|1,0,1]=4 2106 B12R2.1 OCC1CSc2c1cccc2 1P01ANGJ [1,0,0,1,0,0|1,0,1]=4 2107 B12R2.1 OCC1NCc2c1cccc2 1P01DN79 [1,0,0,1,0,0|1,0,1]=4 2108 B12R2.1 O\N=C/1\CCc2c1cccc2 1P003EVX [1,0,0,1,0,0|1,0,1]=4 2109 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [1,0,0,1,0,0|1,0,1]=4 2110 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [1,0,0,1,0,0|1,0,1]=4 2111 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [1,0,0,1,0,0|1,0,1]=4 2112 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [1,0,0,1,0,0|1,0,1]=4 2113 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [1,0,0,1,0,0|1,0,1]=4 2114 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [1,0,0,1,0,0|0,0,1]=3 2115 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [1,0,0,1,0,0|1,0,1]=4 2116 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [1,0,0,1,0,0|2,0,0]=4 2117 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [1,0,0,1,0,0|2,0,0]=4 2118 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [1,0,0,1,0,0|2,0,0]=4 2119 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [1,0,0,1,0,0|2,0,0]=4 2120 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [1,0,0,1,0,0|2,0,0]=4 2121 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [1,0,0,1,0,0|2,0,0]=4 2122 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [1,0,0,1,0,0|2,0,0]=4 2123 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [1,0,0,1,0,0|1,0,1]=4 2124 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [1,0,0,1,0,0|1,0,1]=4 2125 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [1,0,0,1,0,0|0,0,0]=2 2126 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [1,0,0,1,0,0|1,0,0]=3 2127 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [1,0,0,1,0,0|1,0,0]=3 2128 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [1,0,0,1,0,0|0,0,1]=3 2129 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [1,0,0,1,0,0|1,0,1]=4 2130 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [1,0,0,1,0,0|0,1,1]=4 2131 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [1,0,0,1,0,0|1,0,1]=4 2132 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [1,0,0,1,0,0|1,0,1]=4 2133 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [1,0,0,1,0,0|2,0,0]=4 2134 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [1,0,0,1,0,0|2,0,0]=4 2135 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [1,0,0,1,0,0|2,0,0]=4 2136 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [1,0,0,1,0,0|1,0,1]=4 2137 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [1,0,0,1,0,0|1,0,1]=4 2138 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [1,0,0,1,0,0|1,0,1]=4 2139 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [1,0,0,1,0,0|1,0,1]=4 2140 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [1,0,0,1,0,0|1,0,1]=4 2141 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [1,0,0,1,0,0|1,0,0]=3 2142 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [1,0,0,1,0,0|0,0,0]=2 2143 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [1,0,0,1,0,0|0,0,1]=3 2144 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [1,0,0,1,0,0|1,0,1]=4 2145 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [1,0,0,1,0,0|0,0,1]=3 2146 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [1,0,0,1,0,0|0,0,1]=3 2147 B12R2.41 C1C=Cc2c(CC1)cccc2 1P005WAO [1,0,0,1,0,0|1,0,0]=3 2148 B12R2.41 C1C=Cc2c(NC1)cccc2 1P01B1RO [1,0,0,1,0,0|2,0,0]=4 2149 B12R2.41 C1C=Cc2c(OC1)cccc2 1P001M8A [1,0,0,1,0,0|2,0,0]=4 2150 B12R2.41 C1CNc2c(CC1)cccc2 1P00HZTY [1,0,0,1,0,0|1,0,1]=4 2151 B12R2.41 C1CNc2c(CC1)cccc2 1P01DU88 [1,0,0,1,0,0|1,0,1]=4 2152 B12R2.41 C1COc2c(CN1)cccc2 1P0025ZY [1,0,0,1,0,0|1,0,1]=4 2153 B12R2.41 C1COc2c(CN1)cccc2 1P00BFX5 [1,0,0,1,0,0|1,0,1]=4 2154 B12R2.41 C1COc2c(NC1)cccc2 1P005GT3 [1,0,0,1,0,0|1,0,1]=4 2155 B12R2.41 C1COc2c(OC1)cccc2 1P003IY0 [1,0,0,1,0,0|1,0,1]=4 2156 B12R2.41 C1NCc2c(CC1)cccc2 1P0025NW [1,0,0,1,0,0|2,0,0]=4 2157 B12R2.41 C1NCc2c(CC1)cccc2 1P003FUB [1,0,0,1,0,0|2,0,0]=4 2158 B12R2.1081 C=C1CCCc2c1nccc2 1P01EMJL [1,0,0,1,0,0|2,0,0]=4 2159 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [1,0,0,1,0,0|2,0,0]=4 2160 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [1,0,0,1,0,0|2,0,0]=4 2161 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [1,0,0,1,0,0|2,0,0]=4 2162 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [1,0,0,1,0,0|1,0,1]=4 2163 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [1,0,0,1,0,0|1,0,1]=4 2164 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [1,0,0,1,0,0|1,0,1]=4 2165 B12R2.1081 NN1CCCc2c1cccc2 1P00ED9I [1,0,0,1,0,0|2,0,0]=4 2166 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [1,0,0,1,0,0|1,0,1]=4 2167 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [1,0,0,1,0,0|1,0,1]=4 2168 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [1,0,0,1,0,0|1,0,1]=4 2169 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [1,0,0,1,0,0|1,0,1]=4 2170 B12R2.1081 O=C1CCC[n+]2c1cccc2 1P00E1MA [1,0,0,1,0,0|1,0,0]=3 2171 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [1,0,0,1,0,0|0,0,0]=2 2172 B12R2.1081 O=C1CCCc2c1cccn2 1P00D8W4 [1,0,0,1,0,0|1,0,0]=3 2173 B12R2.1081 O=C1CCCc2c1cccn2 1P00H3KN [1,0,0,1,0,0|1,0,0]=3 2174 B12R2.1081 O=C1CCCc2c1ccnc2 1P007GZF [1,0,0,1,0,0|1,0,0]=3 2175 B12R2.1081 O=C1CCCc2c1ccnc2 1P00I4PZ [1,0,0,1,0,0|1,0,0]=3 2176 B12R2.1081 O=C1CCCc2c1cncc2 1P009X0D [1,0,0,1,0,0|1,0,0]=3 2177 B12R2.1081 O=C1CCCc2c1cncc2 1P00I4Q0 [1,0,0,1,0,0|1,0,0]=3 2178 B12R2.1081 O=C1CCCc2c1cncn2 1P00BUHZ [1,0,0,1,0,0|2,0,0]=4 2179 B12R2.1081 O=C1CCCc2c1nccc2 1P003NHQ [1,0,0,1,0,0|1,0,0]=3 2180 B12R2.1081 O=C1CCCc2c1nccn2 1P00I7FI [1,0,0,1,0,0|2,0,0]=4 2181 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [1,0,0,1,0,0|1,0,0]=3 2182 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [1,0,0,1,0,0|1,0,0]=3 2183 B12R2.1081 O=C1CCNc2c1cccn2 1P00FCTY [1,0,0,1,0,0|2,0,0]=4 2184 B12R2.1081 O=C1CCNc2c1cccn2 1P01AN4H [1,0,0,1,0,0|2,0,0]=4 2185 B12R2.1081 O=C1CCOC2=C1C=CN=C2 1P01KE4T [1,0,0,1,0,0|2,0,0]=4 2186 B12R2.1081 O=C1CCOc2c1cccc2 1P0034H7 [1,0,0,1,0,0|1,0,0]=3 2187 B12R2.1081 O=C1CCOc2c1cccn2 1P009394 [1,0,0,1,0,0|2,0,0]=4 2188 B12R2.1081 O=C1CCOc2c1cncc2 1P006410 [1,0,0,1,0,0|2,0,0]=4 2189 B12R2.1081 O=C1CCOc2c1nccc2 1P0077EN [1,0,0,1,0,0|2,0,0]=4 2190 B12R2.1081 O=C1CCSc2c1cccc2 1P003V8V [1,0,0,1,0,0|1,0,0]=3 2191 B12R2.1081 O=C1CNNc2c1cccc2 1P0013DI [1,0,0,1,0,0|2,0,0]=4 2192 B12R2.1081 O=C1COCc2c1cccc2 1P002KKX [1,0,0,1,0,0|1,0,0]=3 2193 B12R2.1081 O=C1COCc2c1cccn2 1P000OXM [1,0,0,1,0,0|2,0,0]=4 2194 B12R2.1081 O=C1COCc2c1cncc2 1P0209BP [1,0,0,1,0,0|2,0,0]=4 2195 B12R2.1081 O=C1COCc2c1nccc2 1P028MQP [1,0,0,1,0,0|2,0,0]=4 2196 B12R2.1081 O=C1CSCc2c1cccc2 1P003RMB [1,0,0,1,0,0|1,0,0]=3 2197 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [1,0,0,1,0,0|1,0,0]=3 2198 B12R2.1081 O=C1NCCc2c1cccn2 1P001O18 [1,0,0,1,0,0|2,0,0]=4 2199 B12R2.1081 O=C1NCCc2c1cncc2 1P00G8CA [1,0,0,1,0,0|2,0,0]=4 2200 B12R2.1081 O=C1NCCc2c1cncc2 1P027Z26 [1,0,0,1,0,0|2,0,0]=4 2201 B12R2.1081 O=C1NCCc2c1nccc2 1P00BIR9 [1,0,0,1,0,0|2,0,0]=4 2202 B12R2.1081 O=C1NNCc2c1cccc2 1P01EKGA [1,0,0,1,0,0|2,0,0]=4 2203 B12R2.1081 O=C1OCCc2c1cccc2 1P003IXX [1,0,0,1,0,0|1,0,0]=3 2204 B12R2.1081 O=S1CCNc2c1cccc2 1P019KNE [1,0,0,1,0,0|2,0,0]=4 2205 B12R2.1081 O=S1CCOc2c1cccc2 1P01FL79 [1,0,0,1,0,0|2,0,0]=4 2206 B12R2.1081 OB1OCCc2c1cccc2 1P002G3J [1,0,0,1,0,0|2,0,0]=4 2207 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [1,0,0,1,0,0|0,0,1]=3 2208 B12R2.1081 OC1CCCc2c1cccn2 1P00ACUT [1,0,0,1,0,0|1,0,1]=4 2209 B12R2.1081 OC1CCCc2c1ccnc2 1P00IKDB [1,0,0,1,0,0|1,0,1]=4 2210 B12R2.1081 OC1CCCc2c1nccc2 1P001ED2 [1,0,0,1,0,0|1,0,1]=4 2211 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [1,0,0,1,0,0|1,0,1]=4 2212 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [1,0,0,1,0,0|1,0,1]=4 2213 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [1,0,0,1,0,0|1,0,1]=4 2214 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [1,0,0,1,0,0|1,0,1]=4 2215 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [1,0,0,1,0,0|1,0,1]=4 2216 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [1,0,0,1,0,0|1,0,1]=4 2217 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [1,0,0,1,0,0|0,0,1]=3 2218 B12R2.1081 O[C@@H]1CCCc2c1nccc2 1P00DKAT [1,0,0,1,0,0|1,0,1]=4 2219 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [1,0,0,1,0,0|1,0,1]=4 2220 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [1,0,0,1,0,0|1,0,1]=4 2221 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [1,0,0,1,0,0|0,0,1]=3 2222 B12R2.1081 O[C@H]1CCCc2c1nccc2 1P00DJPW [1,0,0,1,0,0|1,0,1]=4 2223 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [1,0,0,1,0,0|1,0,1]=4 2224 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [1,0,0,1,0,0|1,0,1]=4 2225 B12R2.1081 S=C1NCCc2c1cccc2 1P00EE9W [1,0,0,1,0,0|1,1,0]=4 2226 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [1,0,0,1,0,0|0,1,1]=4 2227 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [1,0,0,1,0,0|0,0,1]=3 2228 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [1,0,0,1,0,0|1,0,1]=4 2229 B12R2.2057 O1CC1CSc2ccccc2 1P00DGA9 [1,0,0,1,0,0|1,0,1]=4 2230 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [1,0,0,1,0,0|1,0,1]=4 2231 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [1,0,0,1,0,0|1,0,1]=4 2232 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [1,0,0,1,0,0|2,0,0]=4 2233 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,1,1,0|2,0,0]=4 2234 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [0,0,0,1,1,0|1,0,1]=4 2235 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,1,1,0|1,0,0]=3 2236 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,0,0,1,1,0|2,0,0]=4 2237 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,1,1,0|1,0,0]=3 2238 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,0,0,1,1,0|1,0,1]=4 2239 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,0,0,1,1,0|1,0,1]=4 2240 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,0,0,1,1,0|1,0,1]=4 2241 B12R2.24 C1CC(=O)Nc2c1nccc2 1P00IIJQ [0,0,0,1,1,0|2,0,0]=4 2242 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,0,0,1,1,0|2,0,0]=4 2243 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,0,0,1,1,0|2,0,0]=4 2244 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,1,0|1,0,0]=3 2245 B12R2.24 O=C1CCc2c(N1)ccnc2 1P006VJE [0,0,0,1,1,0|2,0,0]=4 2246 B12R2.24 O=C1CCc2c(N1)nccc2 1P00C0W4 [0,0,0,1,1,0|2,0,0]=4 2247 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,0,0,1,1,0|0,0,0]=2 2248 B12R2.24 O=C1CCn2c(=N1)cccc2 1P003IY4 [0,0,0,1,1,0|2,0,0]=4 2249 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,1,0|2,0,0]=4 2250 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,0,0,1,1,0|2,0,0]=4 2251 B12R2.24 O=C1COc2c(N1)cccc2 1P003HTH [0,0,0,1,1,0|2,0,0]=4 2252 B12R2.24 O=C1COc2c(O1)cccc2 1P00DUNM [0,0,0,1,1,0|1,0,0]=3 2253 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,0,0,1,1,0|2,0,0]=4 2254 B12R2.24 O=C1CSc2c(N1)cccc2 1P003HTJ [0,0,0,1,1,0|2,0,0]=4 2255 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,1,0|2,0,0]=4 2256 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,1,0|2,0,0]=4 2257 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,0,0,1,1,0|1,0,0]=3 2258 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,1,0|2,0,0]=4 2259 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [0,0,0,1,1,0|2,0,0]=4 2260 B12R2.24 O=c1ccc2c(o1)cccc2 1P00IGUT [0,0,0,1,1,0|0,0,2]=4 2261 B12R2.24 O=c1cnc2c(o1)cccc2 1P027VQP [0,0,0,1,1,0|1,0,1]=4 2262 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,1,0|1,0,1]=4 2263 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,0,0,1,1,0|1,0,1]=4 2264 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,0,0,1,1,0|1,0,1]=4 2265 B12R2.2403 N=S1(=O)CCc2c1cccc2 1P01B5VA [0,0,0,1,1,0|2,0,0]=4 2266 B12R2.2403 O=S1(=O)CCc2c1cccc2 1P007KUJ [0,0,0,1,1,0|1,0,1]=4 2267 B12R2.2403 OP1(=O)OCc2c1cccc2 1P028I0P [0,0,0,1,1,0|2,0,0]=4 2268 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,1,0|1,0,0]=3 2269 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,0,0,1,1,0|1,0,0]=3 2270 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,0,0,1,1,0|2,0,0]=4 2271 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,0,0,1,1,0|0,0,0]=2 2272 B12R2.6 O=C1CCC(N1)c2ccco2 1P01DWQC [0,0,0,1,1,0|2,0,0]=4 2273 B12R2.6 O=C1CCC(N1)c2cccs2 1P028EKU [0,0,0,1,1,0|2,0,0]=4 2274 B12R2.114 O=C1CCCc2c(C1)ccs2 1P01DVDI [0,0,0,1,1,0|2,0,0]=4 2275 B12R2.114 O=C1CCCc2c(N1)ccs2 1P00DL61 [0,0,0,1,1,0|2,0,0]=4 2276 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 1P024KOQ [0,0,0,1,1,0|2,0,0]=4 2277 B12R2.1354 OC(=O)C1CC1c2ccco2 1P0005UY [0,0,0,1,1,0|1,0,0]=3 2278 B12R2.1354 OC(=O)C1CC1c2cccs2 1P00H3IC [0,0,0,1,1,0|1,0,0]=3 2279 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2c[nH]cn2 1P01B756 [0,0,0,1,1,0|2,0,0]=4 2280 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2c[nH]nc2 1P0285G1 [0,0,0,1,1,0|2,0,0]=4 2281 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2cc[nH]n2 1P027WUZ [0,0,0,1,1,0|2,0,0]=4 2282 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2ccco2 1P01C2R6 [0,0,0,1,1,0|1,0,0]=3 2283 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2cccs2 1P023OO1 [0,0,0,1,1,0|1,0,0]=3 2284 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2cncs2 1P028Z7A [0,0,0,1,1,0|2,0,0]=4 2285 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2cocc2 1P028O6H [0,0,0,1,1,0|1,0,0]=3 2286 B12R2.1354 OC(=O)[C@@H]1C[C@H]1c2cscn2 1P028ZZM [0,0,0,1,1,0|2,0,0]=4 2287 B12R2.1362 OC(=O)C1CCc2c1[nH]nc2 1P01EL4R [0,0,0,1,1,0|2,0,0]=4 2288 B12R2.1362 OC(=O)C1CCc2c1ncs2 1P01W826 [0,0,0,1,1,0|2,0,0]=4 2289 B12R2.1362 OC(=O)C1CCc2n1ccn2 1P028KVG [0,0,0,1,1,0|2,0,0]=4 2290 B12R2.1362 OC(=O)C1CCc2n1ccn2 1P028TZQ [0,0,0,1,1,0|2,0,0]=4 2291 B12R2.1362 OC(=O)C1CCn2c1ncc2 1P01C0V3 [0,0,0,1,1,0|2,0,0]=4 2292 B14R2.2 CC(=O)OC1CCc2c1cccc2 1P002TQS [0,0,0,1,0,1|1,0,0]=3 2293 B14R2.2 CC(=O)OC1CCc2c1nccc2 1P003NHN [0,0,0,1,0,1|2,0,0]=4 2294 B14R2.2 NC(=N)CC1COc2c1cccc2 1P01BGOE [0,0,0,1,0,1|2,0,0]=4 2295 B14R2.2 NC(=N)CN1CCc2c1cccc2 1P01BCOG [0,0,0,1,0,1|2,0,0]=4 2296 B14R2.2 NC(=NC1CCc2c1cccc2)N 1P01AD2Q [0,0,0,1,0,1|2,0,0]=4 2297 B14R2.2 OC(=O)CC1CCc2c1cccc2 1P00C6QF [0,0,0,1,0,1|0,0,0]=2 2298 B14R2.2 OC(=O)CC1CNc2c1cccc2 1P01AJ24 [0,0,0,1,0,1|0,0,0]=2 2299 B14R2.2 OC(=O)CC1COc2c1cccc2 1P00GD01 [0,0,0,1,0,1|0,0,0]=2 2300 B14R2.2 OC(=O)CC1NCc2c1cccc2 1P028C5V [0,0,0,1,0,1|0,0,0]=2 2301 B14R2.2 OC(=O)CC1OCc2c1cccc2 1P01B2VI [0,0,0,1,0,1|0,0,0]=2 2302 B14R2.2 OC(=O)CC1OCc2c1cccn2 1P028ZGO [0,0,0,1,0,1|1,0,0]=3 2303 B14R2.2 OC(=O)CN1CCc2c1cccc2 1P019WHB [0,0,0,1,0,1|0,0,0]=2 2304 B14R2.2 OC(=O)C[n+]1csc2c1cccc2 1P003INW [0,0,0,1,0,1|1,0,1]=4 2305 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 1P003K1R [0,0,0,1,0,1|0,0,2]=4 2306 B14R2.2 OC(=O)Cc1coc2c1cccc2 1P00EDE0 [0,0,0,1,0,1|0,0,2]=4 2307 B14R2.2 OC(=O)Cc1csc2c1cccc2 1P003CG5 [0,0,0,1,0,1|0,0,2]=4 2308 B14R2.2 OC(=O)Cc1n[nH]c2c1cccc2 1P003867 [0,0,0,1,0,1|1,0,1]=4 2309 B14R2.2 OC(=O)Cc1noc2c1cccc2 1P006WSP [0,0,0,1,0,1|1,0,1]=4 2310 B14R2.2 OC(=O)Cc1nsc2c1cccc2 1P002YDO [0,0,0,1,0,1|1,0,1]=4 2311 B14R2.2 OC(=O)Cc1occ2c1cccc2 1P00EGL2 [0,0,0,1,0,1|0,0,2]=4 2312 B14R2.2 OC(=O)Cc1snc2c1cccc2 1P0280G7 [0,0,0,1,0,1|1,0,1]=4 2313 B14R2.2 OC(=O)Cn1ccc2c1cccc2 1P006X1H [0,0,0,1,0,1|0,0,2]=4 2314 B14R2.2 OC(=O)Cn1cnc2c1cccc2 1P0036FC [0,0,0,1,0,1|1,0,1]=4 2315 B14R2.2 OC(=O)Cn1ncc2c1cccc2 1P007J6K [0,0,0,1,0,1|1,0,1]=4 2316 B14R2.2 OC(=O)Cn1nnc2c1cccc2 1P00BYZX [0,0,0,1,0,1|2,0,0]=4 2317 B14R2.19 C=C1CCN(C1)Cc2ccccc2 1P01AI8T [0,0,0,1,0,1|2,0,0]=4 2318 B14R2.19 NC1=NCC(N1)Cc2ccccc2 1P01E43D [0,0,0,1,0,1|2,0,0]=4 2319 B14R2.19 O=C1CCC(C1)Cc2ccccc2 1P00IE0X [0,0,0,1,0,1|1,0,0]=3 2320 B14R2.19 O=C1CCC(N1)Cc2ccccc2 1P00A4OY [0,0,0,1,0,1|1,0,0]=3 2321 B14R2.19 O=C1CCC(O1)Cc2ccccc2 1P01A0ME [0,0,0,1,0,1|0,0,0]=2 2322 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P0004EO [0,0,0,1,0,1|1,0,0]=3 2323 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P003354 [0,0,0,1,0,1|1,0,0]=3 2324 B14R2.19 O=C1CNC(=N1)Cc2ccccc2 1P01BTXU [0,0,0,1,0,1|1,0,1]=4 2325 B14R2.19 O=C1NCC(C1)Cc2ccccc2 1P007JQQ [0,0,0,1,0,1|1,0,0]=3 2326 B14R2.19 O=C1NCC(O1)Cc2ccccc2 1P01A6AI [0,0,0,1,0,1|0,0,0]=2 2327 B14R2.19 O=C1OCC(C1)Cc2ccccc2 1P00BK67 [0,0,0,1,0,1|1,0,0]=3 2328 B14R2.19 O=C1OC[C@@H](N1)Cc2ccccc2 1P0032XX [0,0,0,1,0,1|1,0,0]=3 2329 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 1P0006V2 [0,0,0,1,0,1|1,0,0]=3 2330 B14R2.19 O=C1SC[C@@H](N1)Cc2ccccc2 1P00BDVY [0,0,0,1,0,1|1,0,0]=3 2331 B14R2.19 O=C1SC[C@H](N1)Cc2ccccc2 1P0016BK [0,0,0,1,0,1|1,0,0]=3 2332 B14R2.19 O=c1[nH]nc(o1)Cc2ccccc2 1P028N0J [0,0,0,1,0,1|1,0,1]=4 2333 B14R2.19 OC1CCN(C1)Cc2ccccc2 1P003T81 [0,0,0,1,0,1|1,0,1]=4 2334 B14R2.19 O[C@@H]1CCN(C1)Cc2ccccc2 1P0006FU [0,0,0,1,0,1|1,0,1]=4 2335 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 1P0004TB [0,0,0,1,0,1|1,0,1]=4 2336 B14R2.19 S=C1OC[C@@H](N1)Cc2ccccc2 1P001DNB [0,0,0,1,0,1|1,1,0]=4 2337 B14R2.19 S=C1OC[C@H](N1)Cc2ccccc2 1P002FF6 [0,0,0,1,0,1|1,1,0]=4 2338 B14R2.19 S=C1SC[C@@H](N1)Cc2ccccc2 1P003D35 [0,0,0,1,0,1|1,1,0]=4 2339 B14R2.19 S=C1SC[C@H](N1)Cc2ccccc2 1P003CQV [0,0,0,1,0,1|1,1,0]=4 2340 B14R2.21 CC1CNCC(O1)c2ccccc2 1P00VU8F [0,0,0,1,0,1|1,0,1]=4 2341 B14R2.21 C[C@@H]1CNC[C@@H](O1)c2ccccc2 1P021XS2 [0,0,0,1,0,1|1,0,1]=4 2342 B14R2.21 NC1=NC(CCN1)c2ccccc2 1P028K55 [0,0,0,1,0,1|2,0,0]=4 2343 B14R2.21 O=C1CCCC(=C1)c2ccccc2 1P0092ME [0,0,0,1,0,1|1,0,0]=3 2344 B14R2.21 O=C1CCCC(=C1)c2cccnc2 1P01BFPX [0,0,0,1,0,1|2,0,0]=4 2345 B14R2.21 O=C1CCCC(C1)c2ccccc2 1P002JUC [0,0,0,1,0,1|1,0,0]=3 2346 B14R2.21 O=C1CCCC(C1)c2cccnc2 1P00AT0D [0,0,0,1,0,1|2,0,0]=4 2347 B14R2.21 O=C1CCCC(N1)c2ccccc2 1P00CLAT [0,0,0,1,0,1|1,0,0]=3 2348 B14R2.21 O=C1CCCC(N1)c2ccccn2 1P01B76G [0,0,0,1,0,1|2,0,0]=4 2349 B14R2.21 O=C1CCCC(O1)c2ccccc2 1P02010V [0,0,0,1,0,1|0,0,0]=2 2350 B14R2.21 O=C1CCCN(C1)c2ccccc2 1P001LEW [0,0,0,1,0,1|1,0,0]=3 2351 B14R2.21 O=C1CCC[C@@H](C1)c2ccccc2 1P00EE87 [0,0,0,1,0,1|1,0,0]=3 2352 B14R2.21 O=C1CCC[C@H](C1)c2ccccc2 1P00C8RB [0,0,0,1,0,1|1,0,0]=3 2353 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P000MS7 [0,0,0,1,0,1|1,0,0]=3 2354 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P007RGW [0,0,0,1,0,1|1,0,0]=3 2355 B14R2.21 O=C1CCOC(=C1)c2ccccc2 1P01EDI1 [0,0,0,1,0,1|1,0,1]=4 2356 B14R2.21 O=C1CCOC(C1)c2ccccc2 1P001FJW [0,0,0,1,0,1|1,0,0]=3 2357 B14R2.21 O=C1CNCC(N1)c2ccccc2 1P02808F [0,0,0,1,0,1|1,0,0]=3 2358 B14R2.21 O=C1COCC(N1)c2ccccc2 1P000RHJ [0,0,0,1,0,1|1,0,0]=3 2359 B14R2.21 O=C1COC[C@@H](N1)c2ccccc2 1P008TI4 [0,0,0,1,0,1|1,0,0]=3 2360 B14R2.21 O=C1COC[C@H](N1)c2ccccc2 1P002GTS [0,0,0,1,0,1|1,0,0]=3 2361 B14R2.21 O=C1CSCC(N1)c2ccccc2 1P01AUXT [0,0,0,1,0,1|1,0,0]=3 2362 B14R2.21 O=C1NCCC(C1)c2ccccc2 1P008LLA [0,0,0,1,0,1|1,0,0]=3 2363 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P01AJJY [0,0,0,1,0,1|2,0,0]=4 2364 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P027YK9 [0,0,0,1,0,1|2,0,0]=4 2365 B14R2.21 OC1CCCC(=C1)c2ccccc2 1P01C7SS [0,0,0,1,0,1|1,0,1]=4 2366 B14R2.21 OC1CCCC(C1)c2ccccc2 1P00E42S [0,0,0,1,0,1|1,0,1]=4 2367 B14R2.21 OC1CCCN(C1)c2ccccc2 1P00371V [0,0,0,1,0,1|1,0,1]=4 2368 B14R2.21 OC1CCOC(C1)c2ccccc2 1P0010QV [0,0,0,1,0,1|1,0,1]=4 2369 B14R2.21 O[C@H]1CCO[C@H](C1)c2ccccc2 1P01BCPZ [0,0,0,1,0,1|1,0,1]=4 2370 B14R2.333 O=S1(=O)CCCN1c2ccccc2 1P005SCC [0,0,0,1,0,1|1,0,1]=4 2371 B14R2.333 O=S1(=O)NCCC1c2ccccc2 1P01ALX0 [0,0,0,1,0,1|1,0,1]=4 2372 B14R2.391 O=C1CCCCc2c(C1)cccc2 1P01BU4R [0,0,0,1,0,1|1,0,0]=3 2373 B14R2.391 O=C1CCCCc2c(N1)cccc2 1P007PI7 [0,0,0,1,0,1|1,0,0]=3 2374 B14R2.436 C=C1CC(C1)OCc2ccccc2 1P00O8DW [0,0,0,1,0,1|2,0,0]=4 2375 B14R2.436 O=C1CC(C1)OCc2ccccc2 1P0031WU [0,0,0,1,0,1|1,0,0]=3 2376 B14R2.436 OC1CC(C1)OCc2ccccc2 1P00018P [0,0,0,1,0,1|1,0,1]=4 2377 B14R2.436 O[C@@H]1C[C@@H](C1)OCc2ccccc2 1P002NC5 [0,0,0,1,0,1|1,0,1]=4 2378 B14R2.436 O[C@@H]1C[C@H](C1)OCc2ccccc2 1P00195U [0,0,0,1,0,1|1,0,1]=4 2379 B14R2.764 OC(=O)C1CC1Cc2ccccc2 1P007XBN [0,0,0,1,0,1|0,0,0]=2 2380 B14R2.764 OC(=O)[C@@H]1C[C@H]1Oc2ccccc2 1P023SDR [0,0,0,1,0,1|0,0,0]=2 2381 B14R2.764 OC(=O)[C@H]1C[C@@H]1Sc2ccccc2 1P024TSA [0,0,0,1,0,1|0,0,0]=2 2382 B14R2.764 OC(=O)[C@H]1C[C@H]1Sc2ccccc2 1P024TS9 [0,0,0,1,0,1|0,0,0]=2 2383 B14R2.780 OC(=O)C1CCC1c2ccccc2 1P01JUHP [0,0,0,1,0,1|0,0,0]=2 2384 B14R2.780 OC(=O)[C@@H]1CC[C@H]1c2ccccc2 1P01JVLK [0,0,0,1,0,1|0,0,0]=2 2385 B14R2.780 OC(=O)[C@@H]1NC[C@H]1c2ccccc2 1P01EM2L [0,0,0,1,0,1|0,0,0]=2 2386 B14R2.780 OC(=O)[C@H]1CC[C@H]1c2ccccc2 1P01JVLO [0,0,0,1,0,1|0,0,0]=2 2387 B14R2.3018 O(Cc1ccccc1)CCC2OC2 1P00IIM2 [0,0,0,1,0,1|1,0,1]=4 2388 B14R2.3018 O(Cc1ccccc1)CC[C@@H]2OC2 1P004QSQ [0,0,0,1,0,1|1,0,1]=4 2389 B14R2.5495 O=S1(=O)CCCNc2c1cccc2 1P01BD7A [0,0,0,1,0,1|1,0,1]=4 2390 B14R2.5495 O=S1(=O)CCNCc2c1cccc2 1P00BIJR [0,0,0,1,0,1|1,0,1]=4 2391 B14R2.31137 NC(=O)NCC1Cc2c1cccc2 1P028WCE [0,0,0,1,0,1|1,0,0]=3 2392 B14R2.31359 CC(=O)C1CCCc2c1nccc2 1P0096VW [0,0,0,1,0,1|2,0,0]=4 2393 B14R2.31359 CC(=O)N1CCCc2c1cccc2 1P003DQL [0,0,0,1,0,1|1,0,0]=3 2394 B14R2.31359 C[C@@H](C1CCCc2c1cccc2)O 1P01BE2N [0,0,0,1,0,1|1,0,1]=4 2395 B14R2.31359 ClC(=O)N1CCCc2c1cccc2 1P002SE1 [0,0,0,1,0,1|1,0,0]=3 2396 B14R2.31359 NC(=N)C1CCCc2c1cccc2 1P019ZB6 [0,0,0,1,0,1|2,0,0]=4 2397 B14R2.31359 NC(=N)C1CCOc2c1cccc2 1P01C5TP [0,0,0,1,0,1|2,0,0]=4 2398 B14R2.31359 NC(=N)C1OCCc2c1cccc2 1P01A61I [0,0,0,1,0,1|2,0,0]=4 2399 B14R2.31359 NC(=O)C1CCOc2c1cccc2 1P029350 [0,0,0,1,0,1|1,0,0]=3 2400 B14R2.31359 NC(=O)C1CNCc2c1cccc2 1P01BY3Z [0,0,0,1,0,1|1,0,0]=3 2401 B14R2.31359 NC(=O)C1NCCc2c1cccc2 1P00DJQQ [0,0,0,1,0,1|1,0,0]=3 2402 B14R2.31359 NC(=O)C1NCCc2c1cccc2 1P01B6ZW [0,0,0,1,0,1|1,0,0]=3 2403 B14R2.31359 NC(=O)C1OCCc2c1cccc2 1P01A619 [0,0,0,1,0,1|1,0,0]=3 2404 B14R2.31359 NC(=S)C1CCCc2c1cccc2 1P00EAEM [0,0,0,1,0,1|1,1,0]=4 2405 B14R2.31359 OC(=O)C1=CCCc2c1cccc2 1P00CUYU [0,0,0,1,0,1|0,0,1]=3 2406 B14R2.31359 OC(=O)C1CC=Cc2c1cccc2 1P028PPN [0,0,0,1,0,1|0,0,1]=3 2407 B14R2.31359 OC(=O)C1CCCc2c1cccc2 1P002FOB [0,0,0,1,0,1|0,0,0]=2 2408 B14R2.31359 OC(=O)C1CCCc2c1cccn2 1P027L3O [0,0,0,1,0,1|1,0,0]=3 2409 B14R2.31359 OC(=O)C1CCCc2c1nccc2 1P01BF40 [0,0,0,1,0,1|1,0,0]=3 2410 B14R2.31359 OC(=O)C1CCNc2c1cccc2 1P001059 [0,0,0,1,0,1|0,0,0]=2 2411 B14R2.31359 OC(=O)C1CCOc2c1cccc2 1P0029UT [0,0,0,1,0,1|0,0,0]=2 2412 B14R2.31359 OC(=O)C1CCSc2c1cccc2 1P019SKY [0,0,0,1,0,1|0,0,0]=2 2413 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P000C6W [0,0,0,1,0,1|0,0,0]=2 2414 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P01C12G [0,0,0,1,0,1|0,0,0]=2 2415 B14R2.31359 OC(=O)C1COCc2c1cccc2 1P00L7H5 [0,0,0,1,0,1|0,0,0]=2 2416 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P006KI6 [0,0,0,1,0,1|0,0,0]=2 2417 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P00BXSE [0,0,0,1,0,1|0,0,0]=2 2418 B14R2.31359 OC(=O)C1OCCc2c1cccc2 1P0014ZK [0,0,0,1,0,1|0,0,0]=2 2419 B14R2.31359 OC(=O)C1SCCc2c1cccc2 1P019SRI [0,0,0,1,0,1|0,0,0]=2 2420 B14R2.31359 OC(=O)[C@@H]1CCCc2c1cccc2 1P002NEV [0,0,0,1,0,1|0,0,0]=2 2421 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P001NGY [0,0,0,1,0,1|0,0,0]=2 2422 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P02833Z [0,0,0,1,0,1|0,0,0]=2 2423 B14R2.31359 OC(=O)[C@H]1CCCc2c1cccc2 1P008GD3 [0,0,0,1,0,1|0,0,0]=2 2424 B14R2.31359 OC(=O)[C@H]1NCCc2c1cccc2 1P001NGZ [0,0,0,1,0,1|0,0,0]=2 2425 B14R2.68 O=C1CCC(=NN1)c2ccccc2 1P00048E [0,1,0,1,0,0|1,0,1]=4 2426 B14R2.68 O=C1CCC(CC1)c2ccccc2 1P0034LM [0,1,0,1,0,0|1,0,0]=3 2427 B14R2.68 O=C1CCC(CC1)c2ccncc2 1P007YB0 [0,1,0,1,0,0|2,0,0]=4 2428 B14R2.68 O=C1CCN(CC1)c2ccccc2 1P002FMI [0,1,0,1,0,0|2,0,0]=4 2429 B14R2.68 O=C1COC(OC1)c2ccccc2 1P00DM9X [0,1,0,1,0,0|1,0,0]=3 2430 B14R2.68 O=C1NCC(NC1)c2ccccc2 1P00H53D [0,1,0,1,0,0|2,0,0]=4 2431 B14R2.68 O=C1NCC(OC1)c2ccccc2 1P00E1M0 [0,1,0,1,0,0|1,0,0]=3 2432 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P001KRT [0,1,0,1,0,0|1,0,0]=3 2433 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P00DM4L [0,1,0,1,0,0|1,0,0]=3 2434 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P0077I4 [0,1,0,1,0,0|1,0,0]=3 2435 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P01KA8S [0,1,0,1,0,0|1,0,0]=3 2436 B14R2.68 OC1CCC(CC1)c2ccccc2 1P00IA6A [0,1,0,1,0,0|1,0,1]=4 2437 B14R2.68 O[C@@H]1CC[C@@H](CC1)c2ccccc2 1P00FUA7 [0,1,0,1,0,0|1,0,1]=4 2438 B14R2.68 O[C@@H]1CC[C@H](CC1)c2ccccc2 1P00EGRK [0,1,0,1,0,0|1,0,1]=4 2439 B14R2.287 O=C1CCC(=O)c2c(N1)cccc2 1P001VPO [0,1,0,1,0,0|1,0,1]=4 2440 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [0,1,0,1,0,0|1,0,0]=3 2441 B14R2.287 O=C1CNC(c2c(N1)cccc2)C 1P028RPW [0,1,0,1,0,0|2,0,0]=4 2442 B14R2.403 O=S1(=O)CCC(N1)c2ccccc2 1P0292BG [0,1,0,1,0,0|1,0,1]=4 2443 B14R2.422 NC(c1ccccc1)C2CC(=C)C2 1P027WHJ [0,1,0,1,0,0|2,0,0]=4 2444 B14R2.422 OC(c1ccccc1)C2CC(=C)C2 1P0287KR [0,1,0,1,0,0|2,0,0]=4 2445 B14R2.779 NC(=O)N1CC(C1)c2ccccc2 1P028UOB [0,1,0,1,0,0|2,0,0]=4 2446 B14R2.779 OC(=O)C1CC(C1)c2ccccc2 1P00FI3I [0,1,0,1,0,0|0,0,0]=2 2447 B14R2.779 OC(=O)C1CC(C1)c2cccnc2 1P02861X [0,1,0,1,0,0|1,0,0]=3 2448 B14R2.779 OC(=O)C1CN(C1)c2ccccn2 1P01DLBO [0,1,0,1,0,0|2,0,0]=4 2449 B14R2.779 OC(=O)[C@@H]1C[C@@H](C1)c2ccccc2 1P01EKPS [0,1,0,1,0,0|0,0,0]=2 2450 B14R2.779 OC(=O)[C@@H]1C[C@H](C1)c2ccccc2 1P01XAH6 [0,1,0,1,0,0|0,0,0]=2 2451 B14R2.779 OC(=O)[C@@H]1C[C@H](C1)c2ccccn2 1P027XUD [0,1,0,1,0,0|1,0,0]=3 2452 B14R2.779 [O-]C(=O)C1CC(O1)c2ccccc2 1P028OM3 [0,1,0,1,0,0|0,0,1]=3 2453 B14R2.2950 O=C1CCC(C1)(C)c2ccccc2 1P01AGHK [0,1,0,1,0,0|1,0,0]=3 2454 B14R2.2950 O=C1CCC(N1)(C)c2ccccc2 1P01BDSQ [0,1,0,1,0,0|1,0,0]=3 2455 B14R2.2950 O=C1NCC(C1)(C)c2ccccc2 1P01AGDX [0,1,0,1,0,0|2,0,0]=4 2456 B14R2.9520 OC(=O)C1CC1(C)c2ccccc2 1P01AC8Q [0,1,0,1,0,0|0,0,0]=2 2457 B14R2.9520 OC(=O)C1CC1(F)c2ccccc2 1P00H1O1 [0,1,0,1,0,0|0,0,0]=2 2458 B14R2.25733 OC(=O)C1CC(=O)c2c1cccc2 1P002YTM [0,1,0,1,0,0|0,0,1]=3 2459 B14R2.25733 OC(=O)C1NC(=O)c2c1cccc2 1P0029HL [0,1,0,1,0,0|1,0,1]=4 2460 B14R2.25733 OC(=O)C1OC(=O)c2c1cccc2 1P00FEYA [0,1,0,1,0,0|1,0,1]=4 2461 B14R2.25733 OC(=O)[C@@H]1CC(=O)c2c1cccc2 1P01DX5A [0,1,0,1,0,0|0,0,1]=3 2462 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)N 1P027Q11 [0,1,0,1,0,0|0,0,0]=2 2463 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)O 1P028POZ [0,1,0,1,0,0|0,0,0]=2 2464 B14R2.25733 [O-]C(=O)C1CN(c2c1cccc2)C 1P028MNM [0,1,0,1,0,0|1,0,1]=4 2465 B14R2.29285 NC1CCS(=O)(=O)c2c1cccc2 1P00G4KT [0,1,0,1,0,0|1,0,1]=4 2466 B14R2.29285 N[C@H]1CCS(=O)(=O)c2c1cccc2 1P01A1T0 [0,1,0,1,0,0|1,0,1]=4 2467 B14R2.29285 OC1CCS(=O)(=O)c2c1cccc2 1P01A21O [0,1,0,1,0,0|1,0,1]=4 2468 B14R2.29285 O[C@@H]1CCS(=O)(=O)c2c1cccc2 1P019ROK [0,1,0,1,0,0|1,0,1]=4 2469 B14R2.29285 O[C@H]1CCS(=O)(=O)c2c1cccc2 1P019ROJ [0,1,0,1,0,0|1,0,1]=4 2470 B14R2.22 O=C1CCC(C1)c2cccc(c2)Cl 1P01C2SZ [0,1,0,1,0,0|1,0,0]=3 2471 B14R2.22 O=C1CCC(C1)c2cncc(c2)F 1P01BY1W [0,1,0,1,0,0|2,0,0]=4 2472 B14R2.22 O=C1CCC(N1)c2cccc(c2)N 1P01C3H5 [0,1,0,1,0,0|1,0,0]=3 2473 B14R2.22 O=C1CCN(C1)c2cccc(c2)Br 1P01AHHP [0,1,0,1,0,0|2,0,0]=4 2474 B14R2.22 O=C1NCC(C1)c2cccc(c2)Br 1P008UMB [0,1,0,1,0,0|2,0,0]=4 2475 B14R2.22 O=C1NCC(C1)c2cccc(c2)C 1P00HA60 [0,1,0,1,0,0|2,0,0]=4 2476 B14R2.22 O=C1NCC(C1)c2cccc(c2)Cl 1P01BD1N [0,1,0,1,0,0|2,0,0]=4 2477 B14R2.22 O=C1NCC(C1)c2cccc(c2)F 1P00HA61 [0,1,0,1,0,0|2,0,0]=4 2478 B14R2.22 O=C1NCC(C1)c2cccc(c2)N 1P00ICQN [0,1,0,1,0,0|2,0,0]=4 2479 B14R2.22 O=C1NCC(C1)c2cccc(c2)O 1P018IJP [0,1,0,1,0,0|2,0,0]=4 2480 B14R2.22 O=C1NCC(O1)c2cccc(c2)Br 1P00IILC [0,1,0,1,0,0|1,0,0]=3 2481 B14R2.22 O=C1NCC(O1)c2cccc(c2)C 1P028FJL [0,1,0,1,0,0|1,0,0]=3 2482 B14R2.22 O=C1OCC(N1)c2cccc(c2)Br 1P01ELQN [0,1,0,1,0,0|2,0,0]=4 2483 B14R2.300 Brc1ccc2c(c1)CCN2C(=O)C 1P003DI3 [0,1,0,1,0,0|2,0,0]=4 2484 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)C 1P00DAAR [0,1,0,1,0,0|2,0,0]=4 2485 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)C 1P01EING [0,1,0,1,0,0|2,0,0]=4 2486 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)N 1P01A2RJ [0,1,0,1,0,0|2,0,0]=4 2487 B14R2.300 OC(=O)C1CCc2c1ccc(c2)Br 1P003MX0 [0,1,0,1,0,0|0,0,0]=2 2488 B14R2.300 OC(=O)C1CCc2c1ccc(c2)C 1P01KLAY [0,1,0,1,0,0|0,0,0]=2 2489 B14R2.300 OC(=O)C1CCc2c1ccc(c2)Cl 1P00FGYN [0,1,0,1,0,0|0,0,0]=2 2490 B14R2.300 OC(=O)C1CCc2c1ccc(c2)F 1P00EUW9 [0,1,0,1,0,0|0,0,0]=2 2491 B14R2.300 OC(=O)C1CCc2c1cnc(n2)N 1P016PFC [0,1,0,1,0,0|2,0,0]=4 2492 B14R2.300 OC(=O)C1CCc2c1ncc(c2)Br 1P0208YC [0,1,0,1,0,0|1,0,0]=3 2493 B14R2.300 OC(=O)C1COc2c1ccc(c2)F 1P01DRQY [0,1,0,1,0,0|1,0,0]=3 2494 B14R2.300 Oc1ccc2c(c1)CCN2C(=O)C 1P00DZ8Z [0,1,0,1,0,0|2,0,0]=4 2495 B14R2.390 O=C1CCCc2c(N1)c(F)ccc2 1P000GRP [0,1,0,1,0,0|1,0,0]=3 2496 B14R2.4476 CC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P028AKQ [0,1,0,1,0,0|1,0,0]=3 2497 B14R2.4476 Cc1cccc(n1)C2CC2C(=O)O 1P028X95 [0,1,0,1,0,0|1,0,0]=3 2498 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Br 1P00H3HB [0,1,0,1,0,0|0,0,0]=2 2499 B14R2.4476 OC(=O)C1CC1c2cccc(c2)C 1P01A9CX [0,1,0,1,0,0|0,0,0]=2 2500 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Cl 1P0039S5 [0,1,0,1,0,0|0,0,0]=2 2501 B14R2.4476 OC(=O)C1CC1c2cccc(c2)F 1P000HAC [0,1,0,1,0,0|0,0,0]=2 2502 B14R2.4476 OC(=O)[C@@H]1CC1c2cccc(c2)Br 1P00IZIN [0,1,0,1,0,0|0,0,0]=2 2503 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P01C2UE [0,1,0,1,0,0|0,0,0]=2 2504 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Cl 1P01C2UB [0,1,0,1,0,0|0,0,0]=2 2505 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1P01B8AS [0,1,0,1,0,0|0,0,0]=2 2506 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)C 1P01BAH1 [0,1,0,1,0,0|0,0,0]=2 2507 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)O 1P01BHCG [0,1,0,1,0,0|0,0,0]=2 2508 B14R2.4640 Brc1ccc2c(c1)CCCS2(=O)=O 1P0281FO [0,1,0,1,0,0|1,0,1]=4 2509 B14R2.4640 Nc1ccc2c(c1)CCCS2(=O)=O 1P028XKB [0,1,0,1,0,0|1,0,1]=4 2510 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)Br 1P00DG0T [0,1,0,1,0,0|1,0,0]=3 2511 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)Cl 1P006Z7E [0,1,0,1,0,0|1,0,0]=3 2512 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)N 1P006ZMT [0,1,0,1,0,0|1,0,0]=3 2513 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)O 1P01A3ZL [0,1,0,1,0,0|1,0,0]=3 2514 B14R2.7974 O=C1CCNc2c(N1)ccc(c2)Br 1P00BO9W [0,1,0,1,0,0|2,0,0]=4 2515 B14R2.7974 O=C1CCOc2c(C1)ccc(c2)Br 1P028M4F [0,1,0,1,0,0|2,0,0]=4 2516 B14R2.7974 O=C1CCSc2c(N1)ccc(c2)Cl 1P007UMW [0,1,0,1,0,0|2,0,0]=4 2517 B14R2.7974 O=C1COCc2c(N1)ccc(c2)Br 1P003AVK [0,1,0,1,0,0|2,0,0]=4 2518 B14R2.8053 CC(=O)N1CCc2c1c(N)ccc2 1P006W85 [0,1,0,1,0,0|2,0,0]=4 2519 B14R2.8053 OC(=O)C1CCc2c1c(Cl)ccc2 1P00IC0I [0,1,0,1,0,0|0,0,0]=2 2520 B14R2.8053 OC(=O)C1CCc2c1c(F)ccc2 1P0290VF [0,1,0,1,0,0|0,0,0]=2 2521 B14R2.8053 OC(=O)C1CCc2c1c(O)ccc2 1P01AM9O [0,1,0,1,0,0|0,0,0]=2 2522 B14R2.8053 OC(=O)C1CCc2n1c(=O)ccc2 1P01C0NM [0,1,0,1,0,0|1,0,0]=3 2523 B14R2.8053 OC(=O)[C@@H]1CCc2n1c(=O)ccn2 1P01FM1M [0,1,0,1,0,0|2,0,0]=4 2524 B14R2.9057 O=C1CC(N1)Oc2cccc(c2)N 1P01C3JW [0,1,0,1,0,0|2,0,0]=4 2525 B14R2.28471 Brc1cccc2c1S(=O)(=O)CCC2 1P02888X [0,1,0,1,0,0|1,0,1]=4 2526 B14R2.28471 Nc1cccc2c1S(=O)(=O)CCC2 1P020ML2 [0,1,0,1,0,0|1,0,1]=4 2527 B14R2.256 O=C1CCC(N1)c2ccccc2Br 1P000WPW [0,1,0,1,0,0|1,0,0]=3 2528 B14R2.256 O=C1CCC(N1)c2ccccc2N 1P01B5KC [0,1,0,1,0,0|1,0,0]=3 2529 B14R2.256 O=C1NCC(C1)c2ccccc2Br 1P01C5C6 [0,1,0,1,0,0|2,0,0]=4 2530 B14R2.256 O=C1NCC(C1)c2ccccc2C 1P01A92W [0,1,0,1,0,0|2,0,0]=4 2531 B14R2.256 O=C1NCC(C1)c2ccccc2F 1P01A75P [0,1,0,1,0,0|2,0,0]=4 2532 B14R2.256 O=C1NCC(C1)c2ccccc2N 1P028UTQ [0,1,0,1,0,0|2,0,0]=4 2533 B14R2.256 O=C1NCC(C1)c2ccccc2O 1P01XIDQ [0,1,0,1,0,0|2,0,0]=4 2534 B14R2.256 O=C1NCC(O1)c2ccccc2Br 1P00HTNW [0,1,0,1,0,0|1,0,0]=3 2535 B14R2.256 O=C1OCC(N1)c2ccccc2I 1P01DZJC [0,1,0,1,0,0|2,0,0]=4 2536 B14R2.280 O=C1NCCc2c(CC1)cccc2 1P01C1PL [0,1,0,1,0,0|2,0,0]=4 2537 B14R2.663 O=C1CC(N1)Oc2ccccc2N 1P01C410 [0,1,0,1,0,0|2,0,0]=4 2538 B14R2.768 CC(=O)CN1Cc2c(C1)cccc2 1P01BE30 [0,1,0,1,0,0|2,0,0]=4 2539 B14R2.768 CC(=O)NC1Cc2c(C1)cccc2 1P001B9U [0,1,0,1,0,0|2,0,0]=4 2540 B14R2.768 OC(=O)CC1=Cc2c(C1)cccc2 1P01I7UB [0,1,0,1,0,0|0,0,1]=3 2541 B14R2.768 OC(=O)CC1Cc2c(C1)cccc2 1P00BYZ9 [0,1,0,1,0,0|0,0,0]=2 2542 B14R2.768 OC(=O)CC1Cc2c(N1)cccc2 1P02811E [0,1,0,1,0,0|0,0,0]=2 2543 B14R2.768 OC(=O)CC1Cc2c(O1)cccc2 1P00ELBK [0,1,0,1,0,0|0,0,0]=2 2544 B14R2.768 OC(=O)CN1Cc2c(C1)cccc2 1P00C5T4 [0,1,0,1,0,0|1,0,0]=3 2545 B14R2.768 OC(=O)CN1Cc2c(C1)cccc2 1P00J1GW [0,1,0,1,0,0|1,0,0]=3 2546 B14R2.768 OC(=O)C[C@@H]1Cc2c(N1)cccc2 1P028K8X [0,1,0,1,0,0|0,0,0]=2 2547 B14R2.768 OC(=O)C[C@H]1Cc2c(N1)cccc2 1P028K05 [0,1,0,1,0,0|0,0,0]=2 2548 B14R2.768 OC(=O)Cc1cc2c([nH]1)cccc2 1P00BYBV [0,1,0,1,0,0|0,0,2]=4 2549 B14R2.768 OC(=O)Cc1cc2c(s1)cccc2 1P005AB2 [0,1,0,1,0,0|0,0,2]=4 2550 B14R2.768 OC(=O)Cc1nc2c([nH]1)cccc2 1P007O0C [0,1,0,1,0,0|1,0,1]=4 2551 B14R2.768 OC(=O)Cc1nc2c(o1)cccc2 1P005JVN [0,1,0,1,0,0|1,0,1]=4 2552 B14R2.768 OC(=O)Cn1cc2c(n1)cccc2 1P00EAFG [0,1,0,1,0,0|1,0,1]=4 2553 B14R2.768 OC(=O)Cn1nc2c(n1)cccc2 1P00C0ED [0,1,0,1,0,0|2,0,0]=4 2554 B14R2.781 CC(=O)C1CCc2c(O1)cccc2 1P027UGP [0,1,0,1,0,0|1,0,0]=3 2555 B14R2.781 CC(=O)C1COc2c(C1)cccc2 1P01BJDU [0,1,0,1,0,0|2,0,0]=4 2556 B14R2.781 CC(=O)C1COc2c(O1)cccc2 1P00048C [0,1,0,1,0,0|2,0,0]=4 2557 B14R2.781 CC(=O)N1CCc2c(C1)cccc2 1P00AGED [0,1,0,1,0,0|2,0,0]=4 2558 B14R2.781 ClC(=O)N1CCc2c(C1)cccc2 1P002CMA [0,1,0,1,0,0|2,0,0]=4 2559 B14R2.781 NC(=N)C1CCc2c(C1)cccc2 1P01FIRH [0,1,0,1,0,0|2,0,0]=4 2560 B14R2.781 NC(=O)C1CCc2c(N1)cccc2 1P01A8PM [0,1,0,1,0,0|1,0,0]=3 2561 B14R2.781 NC(=O)C1CNc2c(C1)cccc2 1P01AA73 [0,1,0,1,0,0|2,0,0]=4 2562 B14R2.781 NC(=O)C1CNc2c(O1)cccc2 1P009BLW [0,1,0,1,0,0|2,0,0]=4 2563 B14R2.781 NC(=O)C1COc2c(O1)cccc2 1P00CV1N [0,1,0,1,0,0|2,0,0]=4 2564 B14R2.781 NC(=O)C1NCc2c(C1)cccc2 1P00HCW5 [0,1,0,1,0,0|2,0,0]=4 2565 B14R2.781 NC(=O)N1CCc2c(C1)cccc2 1P01A96X [0,1,0,1,0,0|2,0,0]=4 2566 B14R2.781 NC(=O)[C@H]1NCc2c(C1)cccc2 1P007MAK [0,1,0,1,0,0|2,0,0]=4 2567 B14R2.781 NC(=O)[C@H]1OCc2c(C1)cccc2 1P01BVEZ [0,1,0,1,0,0|2,0,0]=4 2568 B14R2.781 OC(=O)C1=Cc2c(OC1)cccc2 1P00BE26 [0,1,0,1,0,0|1,0,1]=4 2569 B14R2.781 OC(=O)C1CCc2c(C1)cccc2 1P003DQQ [0,1,0,1,0,0|0,0,0]=2 2570 B14R2.781 OC(=O)C1CCc2c(C1)cccn2 1P000OWU [0,1,0,1,0,0|1,0,0]=3 2571 B14R2.781 OC(=O)C1CCc2c(C1)cccn2 1P028MEI [0,1,0,1,0,0|1,0,0]=3 2572 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00D8UA [0,1,0,1,0,0|0,0,0]=2 2573 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00GGJE [0,1,0,1,0,0|0,0,0]=2 2574 B14R2.781 OC(=O)C1CCc2c(O1)cccc2 1P0037SX [0,1,0,1,0,0|0,0,0]=2 2575 B14R2.781 OC(=O)C1CNc2c(C1)cccc2 1P000F3E [0,1,0,1,0,0|1,0,0]=3 2576 B14R2.781 OC(=O)C1CNc2c(C1)cccc2 1P0092TK [0,1,0,1,0,0|1,0,0]=3 2577 B14R2.781 OC(=O)C1CNc2c(O1)cccc2 1P006CWO [0,1,0,1,0,0|1,0,0]=3 2578 B14R2.781 OC(=O)C1CNc2c(O1)cccc2 1P01EM3Y [0,1,0,1,0,0|1,0,0]=3 2579 B14R2.781 OC(=O)C1COc2c(C1)cccc2 1P000HDE [0,1,0,1,0,0|1,0,0]=3 2580 B14R2.781 OC(=O)C1COc2c(O1)cccc2 1P003E32 [0,1,0,1,0,0|1,0,0]=3 2581 B14R2.781 OC(=O)C1CSc2c(O1)cccc2 1P01A89I [0,1,0,1,0,0|1,0,0]=3 2582 B14R2.781 OC(=O)C1NCc2c(C1)cccc2 1P0039PB [0,1,0,1,0,0|1,0,0]=3 2583 B14R2.781 OC(=O)C1OCc2c(C1)cccc2 1P009WMO [0,1,0,1,0,0|1,0,0]=3 2584 B14R2.781 OC(=O)[C@@H]1CCc2c(N1)cccc2 1P00EB64 [0,1,0,1,0,0|0,0,0]=2 2585 B14R2.781 OC(=O)[C@@H]1COc2c(C1)cccc2 1P00HJ9X [0,1,0,1,0,0|1,0,0]=3 2586 B14R2.781 OC(=O)[C@@H]1COc2c(O1)cccc2 1P0063BV [0,1,0,1,0,0|1,0,0]=3 2587 B14R2.781 OC(=O)[C@@H]1NCc2c(C1)cccc2 1P007GAY [0,1,0,1,0,0|1,0,0]=3 2588 B14R2.781 OC(=O)[C@H]1CCc2c(N1)cccc2 1P005LKG [0,1,0,1,0,0|0,0,0]=2 2589 B14R2.781 OC(=O)[C@H]1CCc2c(O1)cccc2 1P00G89A [0,1,0,1,0,0|0,0,0]=2 2590 B14R2.781 OC(=O)[C@H]1COc2c(O1)cccc2 1P0032V1 [0,1,0,1,0,0|1,0,0]=3 2591 B14R2.781 OC(=O)[C@H]1NCc2c(C1)cccc2 1P002FEK [0,1,0,1,0,0|1,0,0]=3 2592 B14R2.781 OC(=O)[C@H]1NCc2c(C1)cccc2 1P008PFA [0,1,0,1,0,0|1,0,0]=3 2593 B14R2.781 OC(=O)[C@H]1OCc2c(C1)cccc2 1P01B7MJ [0,1,0,1,0,0|1,0,0]=3 2594 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1P019WHF [0,1,0,1,0,0|1,0,0]=3 2595 B14R2.5443 CC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028743 [0,1,0,1,0,0|1,0,0]=3 2596 B14R2.5443 Cc1ccncc1[C@@H]2C[C@H]2C(=O)O 1P028P0U [0,1,0,1,0,0|1,0,0]=3 2597 B14R2.5443 ClC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028XGE [0,1,0,1,0,0|1,0,0]=3 2598 B14R2.5443 OC(=O)C1CC1c2ccccc2Br 1P00GAEW [0,1,0,1,0,0|0,0,0]=2 2599 B14R2.5443 OC(=O)C1CC1c2ccccc2C 1P00FGR6 [0,1,0,1,0,0|0,0,0]=2 2600 B14R2.5443 OC(=O)C1CC1c2ccccc2Cl 1P003F84 [0,1,0,1,0,0|0,0,0]=2 2601 B14R2.5443 OC(=O)C1CC1c2ccccc2F 1P003F8F [0,1,0,1,0,0|0,0,0]=2 2602 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P01C1V8 [0,1,0,1,0,0|0,0,0]=2 2603 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2F 1P01DXZW [0,1,0,1,0,0|0,0,0]=2 2604 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2O 1P027ZKW [0,1,0,1,0,0|0,0,0]=2 2605 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccncc2F 1P0288Q4 [0,1,0,1,0,0|1,0,0]=3 2606 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ncccc2Br 1P028Q8C [0,1,0,1,0,0|1,0,0]=3 2607 B14R2.5443 OC(=O)[C@H]1C[C@@H]1c2ccccc2Br 1P01DXV4 [0,1,0,1,0,0|0,0,0]=2 2608 B14R2.8032 CC(=O)N1CCc2c1cccc2N 1P00ACTV [0,1,0,1,0,0|2,0,0]=4 2609 B14R2.8032 CC(=O)N1CCc2c1cccc2O 1P002G31 [0,1,0,1,0,0|2,0,0]=4 2610 B14R2.8032 Cc1cccc2c1NCC2C(=O)O 1P027UNV [0,1,0,1,0,0|1,0,0]=3 2611 B14R2.8032 Cc1cccc2c1OCC2C(=O)O 1P01DRR0 [0,1,0,1,0,0|1,0,0]=3 2612 B14R2.8032 OC(=O)C1CCc2c1cccc2Br 1P00FM77 [0,1,0,1,0,0|0,0,0]=2 2613 B14R2.8032 OC(=O)C1CCc2c1cccc2Cl 1P00FLUB [0,1,0,1,0,0|0,0,0]=2 2614 B14R2.8032 OC(=O)C1CCc2c1cccc2F 1P027YGD [0,1,0,1,0,0|0,0,0]=2 2615 B14R2.8032 OC(=O)C1COc2c1cccc2F 1P01DRR4 [0,1,0,1,0,0|1,0,0]=3 2616 B14R2.28454 Brc1cccc2c1COCC(=O)N2 1P028U7Y [0,1,0,1,0,0|2,0,0]=4 2617 B14R2.28454 O=C1CCCc2c(C1)cccc2O 1P028G8E [0,1,0,1,0,0|1,0,0]=3 2618 B14R2.28454 O=C1CCCc2c(N1)cccc2Br 1P00FH6X [0,1,0,1,0,0|1,0,0]=3 2619 B14R2.28454 O=C1CCCc2c(N1)cccc2Cl 1P01A6XH [0,1,0,1,0,0|1,0,0]=3 2620 B14R2.28454 O=C1CCCc2c(N1)cccc2F 1P001DK8 [0,1,0,1,0,0|1,0,0]=3 2621 B14R2.28454 O=C1CCCc2c(N1)cccc2O 1P005H2P [0,1,0,1,0,0|1,0,0]=3 2622 B14R2.431 OC1CC(C1)(N)Cc2ccccc2 1P0280PP [0,1,0,1,0,0|1,0,1]=4 2623 B14R2.445 NC1CS(=O)(=O)C1c2ccccc2 1P028QL8 [0,1,0,1,0,0|1,0,1]=4 2624 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1c2ccccc2 1P001TO4 [0,1,0,1,0,0|1,0,0]=3 2625 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 1P003CDN [0,1,0,1,0,0|1,0,0]=3 2626 B14R2.598 O=C1NC(=O)OC1c2ccccc2 1P00ECQQ [0,1,0,1,0,0|1,0,1]=4 2627 B14R2.738 CC1CC(=O)Nc2c(N1)cccc2 1P00C0OL [0,1,0,1,0,0|2,0,0]=4 2628 B14R2.738 O=C1CC(C)Sc2c(N1)cccc2 1P019N87 [0,1,0,1,0,0|2,0,0]=4 2629 B14R2.4586 OC(=O)C1C(=C1c2ccccc2)C 1P002H8Y [0,1,0,1,0,0|0,0,2]=4 2630 B14R2.4586 OC(=O)C1C(C1C)c2ccccc2 1P01BI1V [0,1,0,1,0,0|0,0,0]=2 2631 B14R2.4586 OC(=O)[C@H]1[C@@H]([C@@H]1F)c2ccccc2 1P028Y6I [0,1,0,1,0,0|0,0,0]=2 2632 B14R2.31 O=C1CCC1OCc2ccccc2 1P002J3D [0,1,0,1,0,0|2,0,0]=4 2633 B14R2.260 CC1CC(NC1=O)c2ccccc2 1P028CSW [0,1,0,1,0,0|1,0,0]=3 2634 B14R2.260 CC1CN(NC1=O)c2ccccc2 1P002U39 [0,1,0,1,0,0|2,0,0]=4 2635 B14R2.260 CC1N=C(OC1=O)c2ccccc2 1P001201 [0,1,0,1,0,0|1,0,1]=4 2636 B14R2.260 NC1CC(NC1=O)c2ccccc2 1P028GXX [0,1,0,1,0,0|1,0,0]=3 2637 B14R2.260 NC1CC(OC1=O)c2ccccc2 1P0283K1 [0,1,0,1,0,0|0,0,0]=2 2638 B14R2.260 N[C@@H]1C[C@@H](NC1=O)c2ccccc2 1P028KY1 [0,1,0,1,0,0|1,0,0]=3 2639 B14R2.260 O=C1CC(CC1=O)c2ccccc2 1P02877F [0,1,0,1,0,0|1,0,1]=4 2640 B14R2.260 OC1CC(NC1=O)c2ccccc2 1P028M8W [0,1,0,1,0,0|1,0,0]=3 2641 B14R2.741 CC1CNc2c(NC1=O)cccc2 1P00D9XB [0,1,0,1,0,0|2,0,0]=4 2642 B14R2.741 CN1CCc2c(CC1=O)cccc2 1P005MW1 [0,1,0,1,0,0|2,0,0]=4 2643 B14R2.741 O=C1Nc2ccccc2CCC1Br 1P003JHW [0,1,0,1,0,0|1,0,0]=3 2644 B14R2.741 O=C1Nc2ccccc2CCC1Cl 1P008GAF [0,1,0,1,0,0|1,0,0]=3 2645 B14R2.741 O=C1Nc2ccccc2CCC1N 1P004QLU [0,1,0,1,0,0|1,0,0]=3 2646 B14R2.741 O=C1Nc2ccccc2CCC1O 1P01C5ED [0,1,0,1,0,0|1,0,0]=3 2647 B14R2.741 O=C1Nc2ccccc2CC[C@@H]1N 1P009JJQ [0,1,0,1,0,0|1,0,0]=3 2648 B14R2.741 O=C1Nc2ccccc2CNC1C 1P01B62D [0,1,0,1,0,0|2,0,0]=4 2649 B14R2.741 O=C1Nc2ccccc2OCC1N 1P0287S1 [0,1,0,1,0,0|2,0,0]=4 2650 B14R2.741 O=C1Nc2ccccc2SCC1C 1P006QJ4 [0,1,0,1,0,0|2,0,0]=4 2651 B14R2.786 OC(=O)C1(C)OC1c2ccccc2 1P00Q3T9 [0,1,0,1,0,0|1,0,0]=3 2652 B14R2.786 OC(=O)C1(C)OC1c2ccccc2 1P01EQ0Q [0,1,0,1,0,0|1,0,0]=3 2653 B14R2.786 OC(=O)[C@@]1(C)C[C@@H]1c2ccccc2 1P01C7Q7 [0,1,0,1,0,0|0,0,0]=2 2654 B14R2.786 OC(=O)[C@@]1(F)C[C@@H]1c2ccccc2 1P01ELHQ [0,1,0,1,0,0|0,0,0]=2 2655 B14R2.786 OC(=O)[C@]1(C)C[C@H]1c2ccccc2 1P01ALS1 [0,1,0,1,0,0|0,0,0]=2 2656 B14R2.786 OC(=O)[C@]1(F)C[C@H]1c2ccccc2 1P01FJH4 [0,1,0,1,0,0|0,0,0]=2 2657 B14R2.9535 OC(=O)C1(C)CCc2c1cccc2 1P01AFJQ [0,1,0,1,0,0|0,0,0]=2 2658 B14R2.9535 OC(=O)C1(C)COc2c1cccc2 1P01OR4C [0,1,0,1,0,0|1,0,0]=3 2659 B14R2.9535 OC(=O)C1(N)CCc2c1cccc2 1P0075ST [0,1,0,1,0,0|0,0,0]=2 2660 B14R2.9535 OC(=O)C1(N)CCc2c1cccc2 1P019Y1B [0,1,0,1,0,0|0,0,0]=2 2661 B14R2.20 O=C1CCC(C1)c2ccc(cc2)C 1P004LQP [0,1,0,1,0,0|1,0,0]=3 2662 B14R2.20 O=C1CCC(C1)c2ccc(cc2)Cl 1P000GT7 [0,1,0,1,0,0|1,0,0]=3 2663 B14R2.20 O=C1CCC(C1)c2ccc(cc2)F 1P001WP2 [0,1,0,1,0,0|1,0,0]=3 2664 B14R2.20 O=C1CCC(C1)c2ccc(cc2)N 1P028JV1 [0,1,0,1,0,0|1,0,0]=3 2665 B14R2.20 O=C1CCC(N1)c2ccc(cc2)Br 1P002JVE [0,1,0,1,0,0|1,0,0]=3 2666 B14R2.20 O=C1CCC(N1)c2ccc(cc2)C 1P01K25G [0,1,0,1,0,0|1,0,0]=3 2667 B14R2.20 O=C1CCC(N1)c2ccc(cc2)F 1P01BUDR [0,1,0,1,0,0|1,0,0]=3 2668 B14R2.20 O=C1CCC(N1)c2ccc(cc2)N 1P01AV7D [0,1,0,1,0,0|1,0,0]=3 2669 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 1P01BIKP [0,1,0,1,0,0|1,0,0]=3 2670 B14R2.20 O=C1CCN(C1)c2ccc(cc2)F 1P00DD89 [0,1,0,1,0,0|2,0,0]=4 2671 B14R2.20 O=C1COC(C1)c2ccc(cc2)Br 1P028F28 [0,1,0,1,0,0|2,0,0]=4 2672 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Br 1P00C3WS [0,1,0,1,0,0|2,0,0]=4 2673 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Cl 1P006Y65 [0,1,0,1,0,0|2,0,0]=4 2674 B14R2.20 O=C1NCC(C1)c2ccc(cc2)F 1P002TJS [0,1,0,1,0,0|2,0,0]=4 2675 B14R2.20 O=C1NCC(C1)c2ccc(cc2)N 1P01K4PN [0,1,0,1,0,0|2,0,0]=4 2676 B14R2.20 O=C1NCC(C1)c2ccc(cc2)O 1P01AQ1H [0,1,0,1,0,0|2,0,0]=4 2677 B14R2.20 O=C1NCC(O1)c2ccc(cc2)Br 1P00IILB [0,1,0,1,0,0|1,0,0]=3 2678 B14R2.20 O=C1NCC(O1)c2ccc(cc2)C 1P028WR3 [0,1,0,1,0,0|1,0,0]=3 2679 B14R2.20 O=C1NCC(O1)c2ccc(cn2)F 1P028XBC [0,1,0,1,0,0|2,0,0]=4 2680 B14R2.20 O=C1NC[C@@H](C1)c2ccc(cc2)F 1P01R4J7 [0,1,0,1,0,0|2,0,0]=4 2681 B14R2.20 O=C1NC[C@H](C1)c2ccc(cc2)F 1P01Z9PB [0,1,0,1,0,0|2,0,0]=4 2682 B14R2.20 O=C1OCC(N1)c2ccc(cc2)Br 1P00GAHJ [0,1,0,1,0,0|2,0,0]=4 2683 B14R2.20 O=C1OCC(N1)c2ccc(cc2)O 1P028OTW [0,1,0,1,0,0|2,0,0]=4 2684 B14R2.20 O=C1OC[C@H](N1)c2ccc(cc2)Cl 1P000FKJ [0,1,0,1,0,0|2,0,0]=4 2685 B14R2.380 Brc1cc2NC(=O)CNCc2cc1 1P028YG4 [0,1,0,1,0,0|2,0,0]=4 2686 B14R2.380 Brc1cc2NC(=O)CNCc2cc1 1P0290UU [0,1,0,1,0,0|2,0,0]=4 2687 B14R2.380 Brc1cc2NC(=O)COCc2cc1 1P028GKV [0,1,0,1,0,0|2,0,0]=4 2688 B14R2.380 Brc1cc2NC(=O)CSCc2cc1 1P02898P [0,1,0,1,0,0|2,0,0]=4 2689 B14R2.380 O=C1CCCc2c(C1)cc(Br)cc2 1P00HYG7 [0,1,0,1,0,0|1,0,0]=3 2690 B14R2.380 O=C1CCCc2c(N1)cc(Br)cc2 1P01BF2V [0,1,0,1,0,0|1,0,0]=3 2691 B14R2.380 O=C1CCCc2c(N1)cc(C)cc2 1P004QLS [0,1,0,1,0,0|1,0,0]=3 2692 B14R2.380 O=C1CCCc2c(N1)cc(N)cc2 1P006ZMP [0,1,0,1,0,0|1,0,0]=3 2693 B14R2.380 O=C1CCNc2c(N1)cc(Cl)cc2 1P00BO5U [0,1,0,1,0,0|2,0,0]=4 2694 B14R2.380 O=C1CCNc2c(N1)cc(F)cc2 1P01AK63 [0,1,0,1,0,0|2,0,0]=4 2695 B14R2.380 O=C1CCOc2c(N1)cc(Br)cc2 1P028T5V [0,1,0,1,0,0|2,0,0]=4 2696 B14R2.380 O=C1CCSc2c(N1)cc(N)cc2 1P01DW24 [0,1,0,1,0,0|2,0,0]=4 2697 B14R2.380 Oc1cc2CC(=O)NCCc2cc1 1P01EN3C [0,1,0,1,0,0|2,0,0]=4 2698 B14R2.947 O=C1CC(N1)Oc2ccc(cc2)Br 1P01C38J [0,1,0,1,0,0|2,0,0]=4 2699 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1P00IRHD [0,1,0,1,0,0|1,0,0]=3 2700 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P029157 [0,1,0,1,0,0|1,0,0]=3 2701 B14R2.4402 ClC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P0290P9 [0,1,0,1,0,0|1,0,0]=3 2702 B14R2.4402 NC(=O)C1CC1c2ccc(cc2)F 1P01XL8E [0,1,0,1,0,0|1,0,0]=3 2703 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Br 1P00G7HH [0,1,0,1,0,0|0,0,0]=2 2704 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)C 1P00GSQA [0,1,0,1,0,0|0,0,0]=2 2705 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Cl 1P00GSRE [0,1,0,1,0,0|0,0,0]=2 2706 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)F 1P003FCZ [0,1,0,1,0,0|0,0,0]=2 2707 B14R2.4402 OC(=O)[C@@H]1C[C@@H]1c2ccc(cc2)F 1P024TSW [0,1,0,1,0,0|0,0,0]=2 2708 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1P00EJXD [0,1,0,1,0,0|0,0,0]=2 2709 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01C3UR [0,1,0,1,0,0|0,0,0]=2 2710 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B8AT [0,1,0,1,0,0|0,0,0]=2 2711 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)N 1P01C0P6 [0,1,0,1,0,0|0,0,0]=2 2712 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(nc2)F 1P028NG8 [0,1,0,1,0,0|1,0,0]=3 2713 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(nc2)N 1P0293P8 [0,1,0,1,0,0|1,0,0]=3 2714 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Br 1P0093B9 [0,1,0,1,0,0|0,0,0]=2 2715 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01UOKA [0,1,0,1,0,0|0,0,0]=2 2716 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)F 1P01KYW6 [0,1,0,1,0,0|0,0,0]=2 2717 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)O 1P00IL85 [0,1,0,1,0,0|0,0,0]=2 2718 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(nc2)Br 1P00IHD1 [0,1,0,1,0,0|1,0,0]=3 2719 B14R2.4402 [O-]C(=O)[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P027ZYB [0,1,0,1,0,0|1,0,1]=4 2720 B14R2.4536 Brc1ccc2c(c1)S(=O)(=O)CCC2 1P01B5NR [0,1,0,1,0,0|1,0,1]=4 2721 B14R2.5816 Nc1ccc2c(c1)N(CC2)C(=O)C 1P00EA67 [0,1,0,1,0,0|2,0,0]=4 2722 B14R2.5816 Nc1ccc2c(c1)N(CC2)C(=O)N 1P01BG28 [0,1,0,1,0,0|2,0,0]=4 2723 B14R2.5816 OC(=O)C1CCc2c1cc(Br)cc2 1P00DR6A [0,1,0,1,0,0|0,0,0]=2 2724 B14R2.5816 OC(=O)C1CCc2c1cc(C)cc2 1P02839L [0,1,0,1,0,0|0,0,0]=2 2725 B14R2.5816 OC(=O)C1CCc2c1cc(Cl)cc2 1P00DICQ [0,1,0,1,0,0|0,0,0]=2 2726 B14R2.5816 OC(=O)C1CCc2c1cc(F)cc2 1P00IHH5 [0,1,0,1,0,0|0,0,0]=2 2727 B14R2.5816 OC(=O)C1CCc2c1nc(Cl)cc2 1P028R6H [0,1,0,1,0,0|1,0,0]=3 2728 B14R2.5816 OC(=O)C1CCc2c1nc(O)cc2 1P0207BM [0,1,0,1,0,0|1,0,0]=3 2729 B14R2.5816 OC(=O)C1COc2c1cc(Br)cc2 1P01A3FU [0,1,0,1,0,0|1,0,0]=3 2730 B14R2.5816 OC(=O)C1COc2c1cc(Cl)cc2 1P01ACFL [0,1,0,1,0,0|1,0,0]=3 2731 B14R2.5816 OC(=O)C1COc2c1cc(F)cc2 1P00KV5E [0,1,0,1,0,0|1,0,0]=3 2732 B14R2.8 ICC1CCC(O1)c2ccccc2 1P01BIC7 [0,1,0,1,0,0|1,0,1]=4 2733 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01A2H9 [0,1,0,1,0,0|1,0,1]=4 2734 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01C5XK [0,1,0,1,0,0|1,0,1]=4 2735 B14R2.8 NC[C@@H]1CC[C@H](O1)c2ccccc2 1P028ZKB [0,1,0,1,0,0|1,0,1]=4 2736 B14R2.8 NC[C@H]1CC[C@@H](O1)c2ccccc2 1P01BC9R [0,1,0,1,0,0|1,0,1]=4 2737 B14R2.8 NC[C@H]1CC[C@H](O1)c2ccccc2 1P01BCO3 [0,1,0,1,0,0|1,0,1]=4 2738 B14R2.8 OCC1CCC(N1)c2ccccc2 1P01S3MG [0,1,0,1,0,0|1,0,1]=4 2739 B14R2.8 OCC1CCC(O1)c2ccccc2 1P01AM1X [0,1,0,1,0,0|0,0,2]=4 2740 B14R2.8 OC[C@@H]1CC[C@@H](O1)c2ccccc2 1P02899R [0,1,0,1,0,0|0,0,2]=4 2741 B14R2.8 OC[C@@H]1CC[C@H](C1)c2ccccc2 1P0292NQ [0,1,0,1,0,0|1,0,1]=4 2742 B14R2.8 OC[C@@H]1CC[C@H](N1)c2ccccc2 1P02845V [0,1,0,1,0,0|1,0,1]=4 2743 B14R2.90 OCC1CC(C1)Cc2ccccc2 1P0281PU [0,1,0,1,0,0|1,0,1]=4 2744 B14R2.95 BrCC(=O)N1CCc2c1cccc2 1P00FM9J [0,1,0,1,0,0|2,0,0]=4 2745 B14R2.95 C=CC(=O)N1CCc2c1cccc2 1P01BAJ8 [0,1,0,1,0,0|2,0,0]=4 2746 B14R2.95 CNC(=O)C1CCc2c1cccc2 1P01B6LR [0,1,0,1,0,0|1,0,0]=3 2747 B14R2.95 COC(=O)C1=CCc2c1cccc2 1P00I8AE [0,1,0,1,0,0|0,0,2]=4 2748 B14R2.95 COC(=O)C1CCc2c1cccc2 1P002TQU [0,1,0,1,0,0|0,0,0]=2 2749 B14R2.95 COC(=O)C1CCc2c1cncc2 1P020NDJ [0,1,0,1,0,0|1,0,0]=3 2750 B14R2.95 COC(=O)C1CNc2c1cccc2 1P0092V9 [0,1,0,1,0,0|1,0,0]=3 2751 B14R2.95 COC(=O)C1CNc2c1cccc2 1P00D8IT [0,1,0,1,0,0|1,0,0]=3 2752 B14R2.95 COC(=O)N1CCc2c1cccc2 1P00GVJG [0,1,0,1,0,0|1,0,0]=3 2753 B14R2.95 ClCC(=O)N1CCc2c1cccc2 1P003HAR [0,1,0,1,0,0|2,0,0]=4 2754 B14R2.95 NCC(=O)N1CCc2c1cccc2 1P009ZA0 [0,1,0,1,0,0|2,0,0]=4 2755 B14R2.95 OCC(=O)N1CCc2c1cccc2 1P01A9GI [0,1,0,1,0,0|1,0,0]=3 2756 B14R2.95 OCC(C1CCc2c1cccc2)N 1P01FI9J [0,1,0,1,0,0|1,0,1]=4 2757 B14R2.279 BrC1CCCc2c(C1=O)cccc2 1P002BZ6 [0,1,0,1,0,0|1,0,1]=4 2758 B14R2.279 CC1CCCc2c(C1=O)cccc2 1P01A7GF [0,1,0,1,0,0|1,0,1]=4 2759 B14R2.279 FC1=CCCc2c(C1=O)cccc2 1P01DZ3R [0,1,0,1,0,0|1,0,1]=4 2760 B14R2.279 O=C1CCCc2c(N1C)cccc2 1P01A5YE [0,1,0,1,0,0|1,0,0]=3 2761 B14R2.279 O=C1CCNc2c(N1C)cccc2 1P00CN35 [0,1,0,1,0,0|2,0,0]=4 2762 B14R2.279 O=C1CNCc2c(N1C)cccc2 1P01B60Q [0,1,0,1,0,0|2,0,0]=4 2763 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P006WKX [0,1,0,1,0,0|2,0,0]=4 2764 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P01XCJL [0,1,0,1,0,0|2,0,0]=4 2765 B14R2.958 BrCC(=O)[C@@H]1C[C@H]1c2ccccc2 1P028B3F [0,1,0,1,0,0|1,0,0]=3 2766 B14R2.958 COC(=O)C1NC1c2ccccc2 1P00I0E2 [0,1,0,1,0,0|1,0,0]=3 2767 B14R2.958 COC(=O)C1OC1c2ccccc2 1P00CL3J [0,1,0,1,0,0|1,0,0]=3 2768 B14R2.3459 C#CC1(O)CCCc2c1cccc2 1P005AAE [0,1,0,1,0,0|1,0,1]=4 2769 B14R2.3459 NCC1(O)CCCc2c1cccc2 1P00DAIM [0,1,0,1,0,0|1,0,1]=4 2770 B14R2.3459 OCC1(C)CCCc2c1cccc2 1P01EN39 [0,1,0,1,0,0|1,0,1]=4 2771 B14R2.3459 OCC1(N)CCCc2c1cccc2 1P01B8MM [0,1,0,1,0,0|1,0,1]=4 2772 B14R2.3459 OCC1(O)CCCc2c1cccc2 1P01B9MD [0,1,0,1,0,0|0,0,2]=4 2773 B14R2.4514 CN1C(=O)CNC1c2ccccc2 1P01B22B [0,1,0,1,0,0|2,0,0]=4 2774 B14R2.4514 NN1C(=O)CCC1c2ccccc2 1P0089IA [0,1,0,1,0,0|1,0,0]=3 2775 B14R2.4514 O=C1CC[C@H](N1C)c2cccnc2 1P00DF61 [0,1,0,1,0,0|2,0,0]=4 2776 B14R2.286 NS(=O)(=O)C1CCc2c1cccc2 1P01EJF4 [0,1,0,1,0,0|1,0,1]=4 2777 B14R2.45895 ClS(=O)(=O)CC1Cc2c1cccc2 1P01B3R5 [0,1,0,1,0,0|1,0,1]=4 2778 B10R1.21 C=CCCCc1cscc1 1P01SHJW [1,0,0,0,1,0|2,0,0]=4 2779 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,0,0,2,0|2,0,0]=4 2780 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,0,0,2,0|2,0,0]=4 2781 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,0,0,2,0|2,0,0]=4 2782 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,0,0,2,0|2,0,0]=4 2783 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,0,0,2,0|2,0,0]=4 2784 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,0,0,2,0|2,0,0]=4 2785 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,0,0,2,0|2,0,0]=4 2786 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,0,0,2,0|2,0,0]=4 2787 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,2,0|2,0,0]=4 2788 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,0,0,2,0|2,0,0]=4 2789 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,0,0,2,0|2,0,0]=4 2790 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,0,0,2,0|1,0,1]=4 2791 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,0,0,2,0|2,0,0]=4 2792 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,0,0,2,0|1,0,1]=4 2793 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,0,0,2,0|1,0,1]=4 2794 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,0,0,2,0|1,0,0]=3 2795 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,2,0|2,0,0]=4 2796 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,2,0|2,0,0]=4 2797 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,0,0,2,0|2,0,0]=4 2798 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,2,0|1,0,0]=3 2799 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,0,0,2,0|2,0,0]=4 2800 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,0,0,2,0|2,0,0]=4 2801 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,0,0,2,0|2,0,0]=4 2802 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,2,0|2,0,0]=4 2803 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,2,0|2,0,0]=4 2804 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,2,0|1,1,0]=4 2805 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,0,0,2,0|2,0,0]=4 2806 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [0,0,0,0,2,0|1,0,1]=4 2807 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [0,0,0,0,2,0|1,0,0]=3 2808 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,0,0,2,0|0,0,0]=2 2809 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,0,0,0,2,0|1,0,0]=3 2810 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,0,0,0,2,0|1,0,0]=3 2811 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,0,0,0,2,0|1,0,0]=3 2812 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [0,0,0,0,2,0|1,0,0]=3 2813 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [0,0,0,0,2,0|1,0,0]=3 2814 B10R1.18 OC(=O)Cc1ccnnc1 1P00HYGS [0,0,0,0,2,0|2,0,0]=4 2815 B10R1.18 OC(=O)Cc1cnccn1 1P001DGI [0,0,0,0,2,0|2,0,0]=4 2816 B10R1.18 OC(=O)Cc1cncnc1 1P0034RS [0,0,0,0,2,0|2,0,0]=4 2817 B10R1.18 OC(=O)Cc1cncnc1 1P01BFQH [0,0,0,0,2,0|2,0,0]=4 2818 B10R1.18 OC(=O)Cc1ncccn1 1P0033WG [0,0,0,0,2,0|2,0,0]=4 2819 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,2,0|1,0,0]=3 2820 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,0,0,2,0|1,0,0]=3 2821 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [0,0,0,0,2,0|1,0,1]=4 2822 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,0,0,2,0|1,0,1]=4 2823 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,0,0,2,0|1,0,1]=4 2824 B10R1.66 CC(=O)CCc1ccco1 1P00667T [0,0,0,0,2,0|2,0,0]=4 2825 B10R1.66 CC(=O)CCc1cscc1 1P01ACGI [0,0,0,0,2,0|2,0,0]=4 2826 B10R1.66 OC(=O)CCc1c[nH]cc1 1P0080G3 [0,0,0,0,2,0|1,0,0]=3 2827 B10R1.66 OC(=O)CCc1c[nH]cn1 1P007EXP [0,0,0,0,2,0|2,0,0]=4 2828 B10R1.66 OC(=O)CCc1c[nH]nc1 1P009A1U [0,0,0,0,2,0|2,0,0]=4 2829 B10R1.66 OC(=O)CCc1c[nH]nc1 1P01C2UL [0,0,0,0,2,0|2,0,0]=4 2830 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,0,0,0,2,0|1,0,0]=3 2831 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,0,0,0,2,0|1,0,0]=3 2832 B10R1.66 OC(=O)CCc1cccs1 1P00IB02 [0,0,0,0,2,0|1,0,0]=3 2833 B10R1.66 OC(=O)CCc1ccn[nH]1 1P02896W [0,0,0,0,2,0|2,0,0]=4 2834 B10R1.66 OC(=O)CCc1ccno1 1P006A1Q [0,0,0,0,2,0|2,0,0]=4 2835 B10R1.66 OC(=O)CCc1ccon1 1P01AMCV [0,0,0,0,2,0|2,0,0]=4 2836 B10R1.66 OC(=O)CCc1cnc[nH]1 1P00IA3B [0,0,0,0,2,0|2,0,0]=4 2837 B10R1.66 OC(=O)CCc1cnco1 1P02013X [0,0,0,0,2,0|2,0,0]=4 2838 B10R1.66 OC(=O)CCc1cncs1 1P00645C [0,0,0,0,2,0|2,0,0]=4 2839 B10R1.66 OC(=O)CCc1cncs1 1P01AMID [0,0,0,0,2,0|2,0,0]=4 2840 B10R1.66 OC(=O)CCc1cocc1 1P00H4YT [0,0,0,0,2,0|1,0,0]=3 2841 B10R1.66 OC(=O)CCc1cocn1 1P0292ZU [0,0,0,0,2,0|2,0,0]=4 2842 B10R1.66 OC(=O)CCc1conc1 1P006Y3I [0,0,0,0,2,0|2,0,0]=4 2843 B10R1.66 OC(=O)CCc1cscc1 1P001UUQ [0,0,0,0,2,0|1,0,0]=3 2844 B10R1.66 OC(=O)CCc1cscn1 1P01923C [0,0,0,0,2,0|2,0,0]=4 2845 B10R1.66 OC(=O)CCc1ncc[nH]1 1P0026G1 [0,0,0,0,2,0|2,0,0]=4 2846 B10R1.66 OC(=O)CCc1ncc[nH]1 1P009AB6 [0,0,0,0,2,0|2,0,0]=4 2847 B10R1.66 OC(=O)CCc1ncco1 1P028AV5 [0,0,0,0,2,0|2,0,0]=4 2848 B10R1.66 OC(=O)CCc1nccs1 1P001JI3 [0,0,0,0,2,0|2,0,0]=4 2849 B10R1.66 OC(=O)CCn1cccc1 1P00360M [0,0,0,0,2,0|1,0,0]=3 2850 B10R1.66 OC(=O)CCn1cccn1 1P003IGD [0,0,0,0,2,0|2,0,0]=4 2851 B10R1.66 OC(=O)CCn1cccn1 1P00J1JG [0,0,0,0,2,0|2,0,0]=4 2852 B10R1.66 OC(=O)CCn1cncc1 1P002ENV [0,0,0,0,2,0|2,0,0]=4 2853 B10R1.66 OC(=O)CCn1cncc1 1P01AI5C [0,0,0,0,2,0|2,0,0]=4 2854 B10R1.66 OC(=O)COc1cscc1 1P008NEQ [0,0,0,0,2,0|2,0,0]=4 2855 B10R1.66 OC(=O)CSc1cccs1 1P005EK9 [0,0,0,0,2,0|2,0,0]=4 2856 B14R1.422 CC(=O)NCCNCc1ccccc1 1P01AJXB [0,0,0,0,0,2|1,0,0]=3 2857 B14R1.422 CC(CCCOCc1ccccc1)O 1P01AHS3 [0,0,0,0,0,2|1,0,1]=4 2858 B14R1.422 NC(=N)NCCCOc1ccccc1 1P027Y6V [0,0,0,0,0,2|2,0,0]=4 2859 B14R1.422 NC(=N)NCCOCc1ccccc1 1P027XWT [0,0,0,0,0,2|2,0,0]=4 2860 B14R1.422 NC(=N)NCCOCc1ccccc1 1P028U5T [0,0,0,0,0,2|2,0,0]=4 2861 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00C6GV [0,0,0,0,0,2|1,0,0]=3 2862 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00J3Q2 [0,0,0,0,0,2|1,0,0]=3 2863 B14R1.422 OC(=O)CCCC#Cc1ccccc1 1P020MVZ [0,0,0,0,0,2|0,0,0]=2 2864 B14R1.422 OC(=O)CCCCCc1ccccc1 1P003NSL [0,0,0,0,0,2|0,0,0]=2 2865 B14R1.422 OC(=O)CCCCOc1ccccc1 1P003NET [0,0,0,0,0,2|0,0,0]=2 2866 B14R1.422 OC(=O)CCCNCc1ccccc1 1P00EPDZ [0,0,0,0,0,2|0,0,0]=2 2867 B14R1.422 OC(=O)CCCNCc1ccccn1 1P019XYW [0,0,0,0,0,2|1,0,0]=3 2868 B14R1.422 OC(=O)CCCOCc1ccccc1 1P003LAD [0,0,0,0,0,2|0,0,0]=2 2869 B14R1.422 OC(=O)CCCSSc1ccccn1 1P00BKD1 [0,0,0,0,0,2|1,0,0]=3 2870 B14R1.422 OC(=O)CCNCCc1ccccc1 1P01AA24 [0,0,0,0,0,2|0,0,0]=2 2871 B14R1.422 OC(=O)CCSC=Cc1ccccc1 1P002154 [0,0,0,0,0,2|0,0,1]=3 2872 B14R1.422 OC(=O)COCCOc1ccccc1 1P019NWM [0,0,0,0,0,2|0,0,0]=2 2873 B14R1.422 OC(=O)COC\C=C\c1ccccc1 1P01FIJ1 [0,0,0,0,0,2|0,0,1]=3 2874 B14R1.422 OC(=O)CSCCCc1ccccc1 1P019NRI [0,0,0,0,0,2|0,0,0]=2