0 B13R1.337 CC(=C)CONCc1ccccc1 Amb25229368 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.337 CC(=C)\C=C\CCc1ccccc1 Amb22546754 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.337 CC(=N)NC\C=C\c1ccccc1 Amb24366027 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.337 CC(=O)/C=C\NCc1ccccc1 Amb17778144 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.337 CC(=O)C#CC#Cc1ccccc1 Amb17594204 [0,0,0,0,0,0|1,0,3]=4 5 B13R1.337 CC(=O)C#CCCc1ccccc1 Amb25759513 [0,0,0,0,0,0|1,0,1]=2 6 B13R1.337 CC(=O)C#CCOc1ccccc1 Amb24491408 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.337 CC(=O)C#C\C=C\c1ccccc1 Amb10567237 [0,0,0,0,0,0|1,0,3]=4 8 B13R1.337 CC(=O)C=CC=Cc1ccccc1 Amb24066241 [0,0,0,0,0,0|1,0,3]=4 9 B13R1.337 CC(=O)CC#CCc1ccccc1 Amb24416732 [0,0,0,0,0,0|1,0,2]=3 10 B13R1.337 CC(=O)CCC#Cc1ccccc1 Amb18802903 [0,0,0,0,0,0|1,0,2]=3 11 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.337 CC(=O)NCC#Cc1ccccc1 Amb25119168 [0,0,0,0,0,0|1,0,2]=3 14 B13R1.337 CC(=O)NCCNc1c[n]c[n]c1 Amb18932964 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.337 CC(=O)NCCNc1cc[n]c[n]1 Amb18305879 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.337 CC(=O)NCCNc1ccc[n][n]1 Amb19023334 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.337 CC(=O)NCCNc1ccc[n]c1 Amb18270224 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.337 CC(=O)NCCNc1ccccc1 Amb18933018 [0,0,0,0,0,0|2,0,0]=2 19 B13R1.337 CC(=O)NCCOc1ccccc1 Amb22524794 [0,0,0,0,0,0|2,0,0]=2 20 B13R1.337 CC(=O)NCCOc1cccnc1 Amb16229587 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.337 CC(=O)NCCSc1cc[n]cc1 Amb24073078 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.337 CC(=O)NCCSc1ccccc1 Amb15740326 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.337 CC(=O)NCNCc1ccccc1 Amb24728285 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.337 CC(=O)NC\C=C\c1ccccc1 Amb24452225 [0,0,0,0,0,0|1,0,2]=3 25 B13R1.337 CC(=O)OCCCc1ccc[n]c1 Amb24094205 [0,0,0,0,0,0|1,0,0]=1 26 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [0,0,0,0,0,0|1,0,0]=1 27 B13R1.337 CC(=O)SCNCc1ccccc1 Amb25858716 [0,0,0,0,0,0|1,1,0]=2 28 B13R1.337 CC(=O)\C=C/C=C/c1ccccc1 Amb25318843 [0,0,0,0,0,0|1,0,3]=4 29 B13R1.337 CC(=O)\C=C\C#Cc1ccccc1 Amb17594260 [0,0,0,0,0,0|1,0,3]=4 30 B13R1.337 CC(=O)\C=C\C=C/c1ccccc1 Amb24645444 [0,0,0,0,0,0|1,0,3]=4 31 B13R1.337 CC(=O)\C=C\NCc1ccccc1 Amb25303594 [0,0,0,0,0,0|2,0,1]=3 32 B13R1.337 CC(=O)\C=C\OCc1ccccc1 Amb25370872 [0,0,0,0,0,0|2,0,1]=3 33 B13R1.337 CC(=O)\C=N\NCc1ccccc1 Amb25767927 [0,0,0,0,0,0|3,0,0]=3 34 B13R1.337 CC(=O)\C=N\OCc1ccccc1 Amb25735259 [0,0,0,0,0,0|3,0,0]=3 35 B13R1.337 CC(Br)CCOCc1ccccc1 Amb24490816 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.337 CC(C)=CCCNc1cc[n]cc1 Amb24354983 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.337 CC(C)=CCOCc1ccccc1 Amb25045065 [0,0,0,0,0,0|3,0,0]=3 38 B13R1.337 CC(C)CCOCc1ccccc1 Amb22230283 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.337 CC(C)NCCNc1ccccc1 Amb18180884 [0,0,0,0,0,0|3,0,1]=4 40 B13R1.337 CC(CCNCc1ccccc1)C Amb2172437 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.337 CC(CNCCc1ccccc1)C Amb2119559 [0,0,0,0,0,0|3,0,1]=4 42 B13R1.337 CC(CNCCc1ccccc1)O Amb2119395 [0,0,0,0,0,0|2,0,2]=4 43 B13R1.337 CC(Cl)CCNCc1ccccc1 Amb24475425 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.337 CC(N)CCNCc1ccccc1 Amb18796072 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.337 CC(N)CCOCc1ccccc1 Amb18180974 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.337 CC(NCCCc1ccccc1)C Amb2097980 [0,0,0,0,0,0|2,0,1]=3 47 B13R1.337 CC(NCCOc1ccccc1)C Amb13949173 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.337 CC(NCCSc1ccccc1)C Amb10608751 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.337 CC(O)CCNCc1ccccc1 Amb18128508 [0,0,0,0,0,0|2,0,2]=4 50 B13R1.337 CC(O)CCOCc1ccccc1 Amb18809337 [0,0,0,0,0,0|2,0,2]=4 51 B13R1.337 CC(SCCNc1ccccc1)C Amb17307514 [0,0,0,0,0,0|2,1,1]=4 52 B13R1.337 CN(C)CCSCc1ccccc1 Amb21983729 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.337 CN(CCCNc1ccccc1)C Amb17233496 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.337 CN(N)CCOCc1ccccc1 Amb24522583 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.337 C[C@@H](O)CCNCc1ccccc1 Amb24652621 [0,0,0,0,0,0|2,0,2]=4 56 B13R1.337 C[C@@H](O)CCOCc1ccccc1 Amb25788100 [0,0,0,0,0,0|2,0,2]=4 57 B13R1.337 C[C@H](N)CCOCc1ccccc1 Amb25258106 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.337 C[C@H](O)CCNCc1ccccc1 Amb25833370 [0,0,0,0,0,0|2,0,2]=4 59 B13R1.337 C\C(=C/CNCc1ccccc1)\Cl Amb1811425 [0,0,0,0,0,0|3,0,0]=3 60 B13R1.337 C\C(\N)=N\CCNc1cc[n]cc1 Amb25086386 [0,0,0,0,0,0|4,0,0]=4 61 B13R1.337 C\C(\N)=N\CCNc1cccc[n]1 Amb25144299 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.337 ClC(=O)CCCSc1ccccc1 Amb17143638 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.337 NC(=N)NCCNc1ccccc1 Amb25728941 [0,0,0,0,0,0|4,0,0]=4 64 B13R1.337 NC(=N)SCCCc1ccccc1 Amb20676023 [0,0,0,0,0,0|2,1,0]=3 65 B13R1.337 NC(=N)SCCOc1ccccc1 Amb20676015 [0,0,0,0,0,0|3,1,0]=4 66 B13R1.337 NC(=N)SCOCc1ccccc1 Amb20093135 [0,0,0,0,0,0|3,1,0]=4 67 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,0,0,0,0,0|3,0,0]=3 68 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,0,0,0,0,0|3,0,0]=3 69 B13R1.337 NC(=O)N/N=C/Cc1ccccc1 Amb17673737 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,0,0,0,0,0|2,0,0]=2 71 B13R1.337 NC(=O)NCCNc1cc[n]cc1 Amb25768872 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.337 NC(=O)NC\C=C\c1ccccc1 Amb24407866 [0,0,0,0,0,0|2,0,2]=4 73 B13R1.337 NC(=O)\C=N\OCc1ccccc1 Amb25729859 [0,0,0,0,0,0|4,0,0]=4 74 B13R1.337 NC(=S)NCCOc1ccccc1 Amb17236450 [0,0,0,0,0,0|3,1,0]=4 75 B13R1.337 OC(=O)C#CCCc1ccccc1 Amb25674935 [0,0,0,0,0,0|2,0,1]=3 76 B13R1.337 OC(=O)CCCC[n+]1ccccc1 Amb17098179 [0,0,0,0,0,0|3,0,0]=3 77 B13R1.337 OC(=O)CCCCc1ccc[n]c1 Amb18128434 [0,0,0,0,0,0|3,0,0]=3 78 B13R1.337 OC(=O)CCCNc1ccccc1 Amb10189157 [0,0,0,0,0,0|3,0,0]=3 79 B13R1.337 OC(=O)CCCOc1ccc[n]c1 Amb18809466 [0,0,0,0,0,0|4,0,0]=4 80 B13R1.337 OC(=O)CCCOc1ccccc1 Amb1233059 [0,0,0,0,0,0|3,0,0]=3 81 B13R1.337 OC(=O)CCCSc1cc[n]cc1 Amb24102888 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.337 OC(=O)CCCSc1ccccc1 Amb1105630 [0,0,0,0,0,0|3,0,0]=3 83 B13R1.337 OC(=O)CCNCc1ccc[n]c1 Amb19373040 [0,0,0,0,0,0|4,0,0]=4 84 B13R1.337 OC(=O)CCNCc1ccccc1 Amb1207218 [0,0,0,0,0,0|3,0,0]=3 85 B13R1.337 OC(=O)CCNCc1ccccn1 Amb10187384 [0,0,0,0,0,0|4,0,0]=4 86 B13R1.337 OC(=O)CCNCc1ccccn1 Amb1111102 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.337 OC(=O)CCNCc1cccnc1 Amb1110655 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.337 OC(=O)CCNCc1ccncc1 Amb10187385 [0,0,0,0,0,0|4,0,0]=4 89 B13R1.337 OC(=O)CCNCc1ccncc1 Amb1109839 [0,0,0,0,0,0|4,0,0]=4 90 B13R1.337 OC(=O)CCSCc1ccccc1 Amb1132307 [0,0,0,0,0,0|3,0,0]=3 91 B13R1.337 OC(=O)CC\C=C\c1ccccc1 Amb17233184 [0,0,0,0,0,0|2,0,2]=4 92 B13R1.337 OC(=O)CNCCc1ccccc1 Amb19373721 [0,0,0,0,0,0|3,0,0]=3 93 B13R1.337 OC(=O)CNOCc1ccccc1 Amb18128832 [0,0,0,0,0,0|4,0,0]=4 94 B13R1.337 OC(=O)CSCCc1ccccc1 Amb1244212 [0,0,0,0,0,0|3,0,0]=3 95 B13R1.337 OC(=O)CSCCc1ccccn1 Amb1798760 [0,0,0,0,0,0|4,0,0]=4 96 B13R1.337 OC(=O)\C=C\CCc1ccccc1 Amb17477496 [0,0,0,0,0,0|2,0,1]=3 97 B13R1.337 OC(=O)\C=C\COc1ccccc1 Amb17233391 [0,0,0,0,0,0|3,0,1]=4 98 B13R1.337 OC(=O)\C=C\SCc1ccccc1 Amb22448082 [0,0,0,0,0,0|3,0,1]=4 99 B13R1.337 OC(=O)\C=N\OCc1ccccc1 Amb10976080 [0,0,0,0,0,0|4,0,0]=4 100 B13R1.337 OP(=O)CCCCc1ccccc1 Amb24063702 [0,0,0,0,0,0|3,0,0]=3 101 B13R1.337 OP(O)CCCCc1ccccc1 Amb24101082 [0,0,0,0,0,0|3,0,1]=4 102 B13R1.337 OS(=O)OCNCc1ccccc1 Amb17595338 [0,0,0,0,0,0|3,0,0]=3 103 B13R1.337 SC(=S)NCCNc1ccccc1 Amb25703643 [0,0,0,0,0,0|3,1,0]=4 104 B13R1.337 [S-]C(=S)SCCOc1ccccc1 Amb22264560 [0,0,0,0,0,0|2,2,0]=4 105 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [1,0,0,0,0,0|1,0,1]=3 106 B12R1.8 C=CCNCCc1ccccc1 Amb2119614 [1,0,0,0,0,0|2,0,1]=4 107 B12R1.8 C=C\C=C\CCc1ccccc1 Amb20248567 [1,0,0,0,0,0|1,0,2]=4 108 B12R1.8 CC#CCNCc1ccccc1 Amb10233665 [1,0,0,0,0,0|2,0,1]=4 109 B12R1.8 CC#CCSCc1ccccc1 Amb25788750 [1,0,0,0,0,0|2,0,1]=4 110 B12R1.8 CCCCCCc1cc[n]cc1 Amb22235257 [1,0,0,0,0,0|2,0,1]=4 111 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [1,0,0,0,0,0|2,0,1]=4 112 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [1,0,0,0,0,0|2,0,1]=4 113 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [1,0,0,0,0,0|1,0,1]=3 115 B12R1.8 CCNCCNc1ccccc1 Amb18792597 [1,0,0,0,0,0|2,0,1]=4 116 B12R1.8 CCNCCOc1ccccc1 Amb2099717 [1,0,0,0,0,0|2,0,1]=4 117 B12R1.8 CCNCCSc1ccccc1 Amb10608724 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.8 CCOCC#Cc1ccccc1 Amb24663302 [1,0,0,0,0,0|0,0,3]=4 119 B12R1.8 CCOCCCc1ccccc1 Amb24063530 [1,0,0,0,0,0|0,0,1]=2 120 B12R1.8 CCSCCNc1ccccc1 Amb17307513 [1,0,0,0,0,0|1,1,1]=4 121 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [1,0,0,0,0,0|2,0,0]=3 122 B12R1.8 CNCCCCc1cccnc1 Amb17617748 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [1,0,0,0,0,0|3,0,0]=4 125 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [1,0,0,0,0,0|3,0,0]=4 127 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [1,0,0,0,0,0|3,0,0]=4 128 B12R1.8 COCCCNc1ccccc1 Amb17232551 [1,0,0,0,0,0|3,0,0]=4 129 B12R1.8 COCCCOc1ccccc1 Amb23450364 [1,0,0,0,0,0|3,0,0]=4 130 B12R1.8 CSCCNCc1ccccc1 Amb18187025 [1,0,0,0,0,0|3,0,0]=4 131 B12R1.8 C\C=C\CNCc1ccccc1 Amb18645560 [1,0,0,0,0,0|2,0,0]=3 132 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [1,0,0,0,0,0|2,0,1]=4 133 B12R1.8 Cl[Zn]CCCCc1ccccc1 Amb22897864 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.8 Cl\C=C/COCc1ccccc1 Amb24711309 [1,0,0,0,0,0|3,0,0]=4 135 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [1,0,0,0,0,0|2,0,1]=4 136 B12R1.8 O=C=NCCOc1ccccc1 Amb13783673 [1,0,0,0,0,0|2,0,1]=4 137 B12R1.8 O=CC#CCCc1ccccc1 Amb24356095 [1,0,0,0,0,0|1,0,1]=3 138 B12R1.8 O=CCCCCc1[n]ccc[n]1 Amb24061348 [1,0,0,0,0,0|3,0,0]=4 139 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [1,0,0,0,0,0|1,0,0]=2 140 B12R1.8 O=CCCCOc1ccccc1 Amb18798283 [1,0,0,0,0,0|2,0,0]=3 141 B12R1.8 O=CCOCCc1ccccc1 Amb18800786 [1,0,0,0,0,0|2,0,0]=3 142 B12R1.8 O=CNCNCc1ccccc1 Amb24532665 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.8 O=CNCOCc1ccccc1 Amb24552397 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.8 O=CNC\C=C\c1ccccc1 Amb25249766 [1,0,0,0,0,0|1,0,2]=4 145 B12R1.8 O=COCCCc1ccccc1 Amb22229401 [1,0,0,0,0,0|0,0,0]=1 146 B12R1.8 O=C\C=C\NCc1ccccc1 Amb18645517 [1,0,0,0,0,0|2,0,1]=4 147 B12R1.8 O=C\C=C\OCc1ccccc1 Amb18645661 [1,0,0,0,0,0|2,0,1]=4 148 B12R1.8 O=C\C=N\OCc1ccccc1 Amb24540826 [1,0,0,0,0,0|3,0,0]=4 149 B12R1.8 OCOCOCc1ccccc1 Amb25803238 [1,0,0,0,0,0|1,0,2]=4 150 B12R1.8 O\C=C\NCCc1ccccc1 Amb24721604 [1,0,0,0,0,0|2,0,1]=4 151 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 Amb10572439 [1,0,0,0,0,0|3,0,0]=4 152 B14R1.148 CC(=O)NCCNc1c[n]cc(N)c1 Amb25166672 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.148 CC(=O)NCCNc1cc(N)cc[n]1 Amb19062591 [0,1,0,0,0,0|3,0,0]=4 154 B14R1.148 CC(=O)NCCNc1cc[n]c(Cl)c1 Amb24345602 [0,1,0,0,0,0|3,0,0]=4 155 B14R1.148 CC(=O)NCCNc1cc[n]c(N)c1 Amb24668323 [0,1,0,0,0,0|3,0,0]=4 156 B14R1.148 CC(=O)NCCNc1cccc(Cl)[n]1 Amb25164325 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.148 CC(=O)NCCNc1cccc(Cl)c1 Amb18270431 [0,1,0,0,0,0|2,0,0]=3 158 B14R1.148 CC(=O)NCCNc1cccc(F)[n]1 Amb18305755 [0,1,0,0,0,0|3,0,0]=4 159 B14R1.148 CC(=O)NCCNc1cccc(F)c1 Amb18933375 [0,1,0,0,0,0|2,0,0]=3 160 B14R1.148 CC(=O)NCCOc1cc(Br)cc[n]1 Amb22276873 [0,1,0,0,0,0|3,0,0]=4 161 B14R1.148 CC(=O)NCCOc1cccc(c1)Br Amb16229678 [0,1,0,0,0,0|2,0,0]=3 162 B14R1.148 CC(=O)OCCOc1cccc(O)c1 Amb24089823 [0,1,0,0,0,0|1,0,0]=2 163 B14R1.148 CC(NCCCc1cccc(c1)Cl)C Amb17241066 [0,1,0,0,0,0|2,0,1]=4 164 B14R1.148 Cc1cc(cc[n]1)NCCNC(C)=O Amb25800658 [0,1,0,0,0,0|3,0,0]=4 165 B14R1.148 Cc1cc[n]c(c1)NCCNC(C)=O Amb19061759 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.148 Cc1cccc(NCCNC(C)=O)[n]1 Amb19005121 [0,1,0,0,0,0|3,0,0]=4 167 B14R1.148 Cc1cccc(c1)NCCNC(C)=O Amb24423981 [0,1,0,0,0,0|2,0,0]=3 168 B14R1.148 Cc1cccc(c1)OCCNC(C)=O Amb19706104 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.148 ClC(=O)CCCSc1cccc(c1)C Amb17144251 [0,1,0,0,0,0|3,0,0]=4 170 B14R1.148 ClC(=O)CCCSc1cccc(c1)Cl Amb17145378 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.148 NC(=O)CCCSc1cccc(c1)C Amb17143479 [0,1,0,0,0,0|3,0,0]=4 172 B14R1.148 NC(=O)CCSCc1cccc(c1)Br Amb11244974 [0,1,0,0,0,0|3,0,0]=4 173 B14R1.148 NC(=O)NCCOc1cccc(c1)Br Amb17266782 [0,1,0,0,0,0|3,0,0]=4 174 B14R1.148 NC(=O)NCCOc1cccc(c1)C Amb17235935 [0,1,0,0,0,0|3,0,0]=4 175 B14R1.148 NC(=O)NCCOc1cccc(c1)Cl Amb17241797 [0,1,0,0,0,0|3,0,0]=4 176 B14R1.148 NC(=O)NCCOc1cccc(c1)F Amb17236723 [0,1,0,0,0,0|3,0,0]=4 177 B14R1.148 Nc1cc(ccc1)OCCCC(O)=O Amb18111932 [0,1,0,0,0,0|3,0,0]=4 178 B14R1.148 OC(=O)CCCCc1cccc(Br)c1 Amb18049692 [0,1,0,0,0,0|2,0,0]=3 179 B14R1.148 OC(=O)CCCOc1cccc(c1)Br Amb15371 [0,1,0,0,0,0|3,0,0]=4 180 B14R1.148 OC(=O)CCCOc1cccc(c1)C Amb1206876 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.148 OC(=O)CCCOc1cccc(c1)F Amb1950653 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.148 OC(=O)CCNCc1cccc(c1)C Amb1111411 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.148 OC(=O)CCNCc1cccc(c1)Cl Amb10187387 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.148 OC(=O)CCNCc1cccc(c1)Cl Amb1110208 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.148 OC(=O)CCNCc1cccc(c1)F Amb2372350 [0,1,0,0,0,0|3,0,0]=4 186 B14R1.148 Oc1cccc(CCCCC(O)=O)c1 Amb20668368 [0,1,0,0,0,0|2,0,0]=3 187 B14R1.159 CC(=O)NCCNc1[n]cccc1Br Amb24271457 [0,1,0,0,0,0|3,0,0]=4 188 B14R1.159 CC(=O)NCCNc1[n]cccc1F Amb19029646 [0,1,0,0,0,0|3,0,0]=4 189 B14R1.159 CC(=O)NCCNc1cc[n]cc1Cl Amb23706212 [0,1,0,0,0,0|3,0,0]=4 190 B14R1.159 CC(=O)NCCNc1ccccc1Br Amb25717140 [0,1,0,0,0,0|2,0,0]=3 191 B14R1.159 CC(=O)NCCNc1ccccc1Cl Amb18270051 [0,1,0,0,0,0|2,0,0]=3 192 B14R1.159 CC(=O)NCCNc1ccccc1F Amb18933376 [0,1,0,0,0,0|2,0,0]=3 193 B14R1.159 CC(=O)NCCNc1ccccc1I Amb24371473 [0,1,0,0,0,0|2,0,0]=3 194 B14R1.159 CC(=O)NCCOc1ccccc1N Amb17131704 [0,1,0,0,0,0|2,0,0]=3 195 B14R1.159 CC(=O)OCC#Cc1ccccc1O Amb25142632 [0,1,0,0,0,0|0,0,2]=3 196 B14R1.159 CC(NCCCc1ccccc1Cl)C Amb17241064 [0,1,0,0,0,0|2,0,1]=4 197 B14R1.159 Cc1c[n]ccc1NCCNC(C)=O Amb24335938 [0,1,0,0,0,0|3,0,0]=4 198 B14R1.159 Cc1ccc[n]c1NCCNC(C)=O Amb19079451 [0,1,0,0,0,0|3,0,0]=4 199 B14R1.159 Cc1ccccc1CCC#CC(O)=O Amb25043249 [0,1,0,0,0,0|2,0,1]=4 200 B14R1.159 Cc1ccccc1CSCCC(N)=O Amb20749738 [0,1,0,0,0,0|3,0,0]=4 201 B14R1.159 Cc1ccccc1OCCNC(C)=O Amb23166893 [0,1,0,0,0,0|2,0,0]=3 202 B14R1.159 NC(=O)CCCSc1ccccc1Cl Amb17144304 [0,1,0,0,0,0|3,0,0]=4 203 B14R1.159 NC(=O)NCCNc1ccccc1Cl Amb25817794 [0,1,0,0,0,0|3,0,0]=4 204 B14R1.159 NC(=O)NCCOc1ccccc1Br Amb17266780 [0,1,0,0,0,0|3,0,0]=4 205 B14R1.159 NC(=O)NCCOc1ccccc1C Amb17235933 [0,1,0,0,0,0|3,0,0]=4 206 B14R1.159 NC(=O)NCCOc1ccccc1Cl Amb17241795 [0,1,0,0,0,0|3,0,0]=4 207 B14R1.159 NC(=O)NCCOc1ccccc1F Amb17236721 [0,1,0,0,0,0|3,0,0]=4 208 B14R1.159 Nc1ccccc1NCCNC(N)=O Amb24689609 [0,1,0,0,0,0|3,0,0]=4 209 B14R1.159 OC(=O)CCCCN1C=CC=CC1=O Amb18030499 [0,1,0,0,0,0|3,0,0]=4 210 B14R1.159 OC(=O)CCCCc1ccccc1Cl Amb22481113 [0,1,0,0,0,0|2,0,0]=3 211 B14R1.159 OC(=O)CCCOc1ccccc1F Amb1950642 [0,1,0,0,0,0|3,0,0]=4 212 B14R1.159 OC(=O)CCNCc1ccccc1C Amb2372159 [0,1,0,0,0,0|3,0,0]=4 213 B14R1.159 OC(=O)CCNCc1ccccc1Cl Amb10187386 [0,1,0,0,0,0|3,0,0]=4 214 B14R1.159 OC(=O)CCNCc1ccccc1Cl Amb1110577 [0,1,0,0,0,0|3,0,0]=4 215 B14R1.159 OC(=O)CCNCc1ccccc1F Amb17758538 [0,1,0,0,0,0|3,0,0]=4 216 B14R1.420 CC(=O)NCNC(=O)c1ccccc1 Amb24336454 [0,1,0,0,0,0|2,0,1]=4 217 B14R1.420 CC(=O)\C=C\NC(C)c1ccccc1 Amb25324895 [0,1,0,0,0,0|2,0,1]=4 218 B14R1.420 CC(C)NCCC(C)c1ccccc1 Amb19073617 [0,1,0,0,0,0|2,0,1]=4 219 B14R1.420 CC(C)NCCC(C)c1ccccc1 Amb20673466 [0,1,0,0,0,0|2,0,1]=4 220 B14R1.420 CC(CCCC(O)=O)c1ccccc1 Amb17844447 [0,1,0,0,0,0|2,0,0]=3 221 B14R1.420 CC(NCCC(N)=O)c1ccccc1 Amb24273095 [0,1,0,0,0,0|3,0,0]=4 222 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb16205284 [0,1,0,0,0,0|2,1,0]=4 223 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb1926876 [0,1,0,0,0,0|2,1,0]=4 224 B14R1.420 CC(c1ccccc1)NCCC(=O)O Amb2372473 [0,1,0,0,0,0|3,0,0]=4 225 B14R1.420 CN(C)CCCC(N)c1ccccc1 Amb22756463 [0,1,0,0,0,0|3,0,0]=4 226 B14R1.420 CN(c1ccccc1)CCCC(=O)Cl Amb17143525 [0,1,0,0,0,0|3,0,0]=4 227 B14R1.420 CN(c1ccccc1)CCCC(=O)N Amb17143114 [0,1,0,0,0,0|3,0,0]=4 228 B14R1.420 C\C(=C\CNC(C)=O)\c1ccccc1 Amb25315136 [0,1,0,0,0,0|1,0,2]=4 229 B14R1.420 C\C(\Cl)=C/CNC(C)c1ccccc1 Amb21953975 [0,1,0,0,0,0|3,0,0]=4 230 B14R1.420 NC(CCCC(O)=O)c1cccc[n]1 Amb18638961 [0,1,0,0,0,0|3,0,0]=4 231 B14R1.420 N[C@@H](CCCC(O)=O)c1ccccc1 Amb23440369 [0,1,0,0,0,0|2,0,0]=3 232 B14R1.420 O=C(c1ccccc1)NCCC(=O)C Amb10562812 [0,1,0,0,0,0|2,0,1]=4 233 B14R1.423 CC(=O)COC(=O)Cc1ccccc1 Amb24084925 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.423 CC(=O)O\N=C(/N)\Cc1ccccc1 Amb23247777 [0,1,0,0,0,0|1,0,1]=3 235 B14R1.423 CC(CNC(N)=O)Nc1ccccc1 Amb24448575 [0,1,0,0,0,0|3,0,0]=4 236 B14R1.423 CN(Cc1ccccc1)CCC(=O)C Amb17401563 [0,1,0,0,0,0|2,0,0]=3 237 B14R1.423 CN(Cc1ccccc1)CCC(=O)Cl Amb17143522 [0,1,0,0,0,0|3,0,0]=4 238 B14R1.423 CN(Cc1ccccc1)CCC(=O)O Amb15740934 [0,1,0,0,0,0|3,0,0]=4 239 B14R1.423 C\C(\CNC(C)=O)=C/c1ccccc1 Amb24627853 [0,1,0,0,0,0|1,0,2]=4 240 B14R1.423 NC(Cc1ccccc1)C#CC(O)=O Amb25124720 [0,1,0,0,0,0|2,0,1]=4 241 B14R1.423 N[C@@H](Cc1ccccc1)C#CC(O)=O Amb25858142 [0,1,0,0,0,0|2,0,1]=4 242 B14R1.423 N[C@@H](Cc1ccccc1)CCC(O)=O Amb22754385 [0,1,0,0,0,0|2,0,0]=3 243 B14R1.423 O=C(Cc1ccccc1)CC=C(C)C Amb17594894 [0,1,0,0,0,0|2,0,1]=4 244 B14R1.423 O=C(Nc1ccccc1)COC(=O)C Amb1210678 [0,1,0,0,0,0|1,0,1]=3 245 B14R1.677 CC(=C)CNCCc1ccc(cc1)F Amb17317886 [0,1,0,0,0,0|3,0,0]=4 246 B14R1.677 CC(=O)CC\C=C\c1ccc(Br)cc1 Amb18228461 [0,1,0,0,0,0|1,0,2]=4 247 B14R1.677 CC(=O)CC\C=C\c1ccc(Cl)cc1 Amb18865910 [0,1,0,0,0,0|1,0,2]=4 248 B14R1.677 CC(=O)CC\C=C\c1ccc(F)cc1 Amb18863723 [0,1,0,0,0,0|1,0,2]=4 249 B14R1.677 CC(=O)NCC#Cc1ccc(Cl)cc1 Amb25082744 [0,1,0,0,0,0|1,0,2]=4 250 B14R1.677 CC(=O)NCCCc1ccc(cc1)N Amb17139367 [0,1,0,0,0,0|1,0,0]=2 251 B14R1.677 CC(=O)NCCNc1ccc(Br)cc1 Amb24389106 [0,1,0,0,0,0|2,0,0]=3 252 B14R1.677 CC(=O)NCCNc1ccc(Cl)cc1 Amb18270425 [0,1,0,0,0,0|2,0,0]=3 253 B14R1.677 CC(=O)NCCNc1ccc(F)c[n]1 Amb18306377 [0,1,0,0,0,0|3,0,0]=4 254 B14R1.677 CC(=O)NCCNc1ccc(F)cc1 Amb18270423 [0,1,0,0,0,0|2,0,0]=3 255 B14R1.677 CC(=O)NCCNc1ccc(O)cc1 Amb24677616 [0,1,0,0,0,0|2,0,0]=3 256 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br Amb1094624 [0,1,0,0,0,0|2,0,0]=3 257 B14R1.677 CC(=O)NCCOc1ccc(cc1)C Amb1014121 [0,1,0,0,0,0|2,0,0]=3 258 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl Amb1014120 [0,1,0,0,0,0|2,0,0]=3 259 B14R1.677 CC(=O)NCCOc1ccc(cc1)N Amb16229560 [0,1,0,0,0,0|2,0,0]=3 260 B14R1.677 CC(=O)NCCSc1ccc(O)cc1 Amb19514711 [0,1,0,0,0,0|2,0,0]=3 261 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [0,1,0,0,0,0|0,0,0]=1 262 B14R1.677 CC(=O)OCCOc1ccc(Br)cc1 Amb22493613 [0,1,0,0,0,0|1,0,0]=2 263 B14R1.677 CC(C)=CCCNc1ccc(N)cc1 Amb25245609 [0,1,0,0,0,0|3,0,0]=4 264 B14R1.677 CC(NCCCc1ccc(cc1)Cl)C Amb17241068 [0,1,0,0,0,0|2,0,1]=4 265 B14R1.677 Cc1ccc(CCCNC(N)=N)cc1 Amb18565018 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.677 Cc1ccc(\C=C\CCC(C)=O)cc1 Amb18224841 [0,1,0,0,0,0|1,0,2]=4 267 B14R1.677 Cc1ccc(cc1)NCCNC(C)=O Amb25818747 [0,1,0,0,0,0|2,0,0]=3 268 B14R1.677 Cc1ccc(cc1)OCCOC(C)=O Amb22735029 [0,1,0,0,0,0|1,0,0]=2 269 B14R1.677 ClC(=O)CCCOc1ccc(cc1)C Amb17143550 [0,1,0,0,0,0|3,0,0]=4 270 B14R1.677 ClC(=O)CCCOc1ccc(cc1)Cl Amb17144450 [0,1,0,0,0,0|3,0,0]=4 271 B14R1.677 ClC(=O)CCCOc1ccc(cc1)F Amb17143677 [0,1,0,0,0,0|3,0,0]=4 272 B14R1.677 ClC(=O)CCCSc1ccc(cc1)Cl Amb17145379 [0,1,0,0,0,0|3,0,0]=4 273 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br Amb225459 [0,1,0,0,0,0|3,0,0]=4 274 B14R1.677 NC(=O)CCCOc1ccc(cc1)C Amb2556432 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br Amb11244956 [0,1,0,0,0,0|3,0,0]=4 276 B14R1.677 NC(=O)NCCOc1ccc(cc1)Br Amb17266784 [0,1,0,0,0,0|3,0,0]=4 277 B14R1.677 NC(=O)NCCOc1ccc(cc1)Cl Amb17241799 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.677 NC(=O)NCCOc1ccc(cc1)F Amb17236725 [0,1,0,0,0,0|3,0,0]=4 279 B14R1.677 NC(=O)OCCOc1ccc(cc1)C Amb2229039 [0,1,0,0,0,0|2,0,0]=3 280 B14R1.677 Nc1ccc(cc1)NCCCC(O)=O Amb19374547 [0,1,0,0,0,0|3,0,0]=4 281 B14R1.677 OC(=O)CCCCN1C=CC(=O)C=C1 Amb18029470 [0,1,0,0,0,0|3,0,0]=4 282 B14R1.677 OC(=O)CCCC[n+]1ccc(cc1)C Amb1395853 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.677 OC(=O)CCCOc1ccc(cc1)Br Amb15374 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.677 OC(=O)CCCOc1ccc(cc1)C Amb1204762 [0,1,0,0,0,0|3,0,0]=4 285 B14R1.677 OC(=O)CCCOc1ccc(cc1)Cl Amb1950628 [0,1,0,0,0,0|3,0,0]=4 286 B14R1.677 OC(=O)CCCSc1ccc(cc1)Cl Amb1102903 [0,1,0,0,0,0|3,0,0]=4 287 B14R1.677 OC(=O)CCNCc1ccc(cc1)Cl Amb10187381 [0,1,0,0,0,0|3,0,0]=4 288 B14R1.677 OC(=O)CCNCc1ccc(cc1)Cl Amb1110486 [0,1,0,0,0,0|3,0,0]=4 289 B14R1.677 OC(=O)CCNCc1ccc(cc1)F Amb10187378 [0,1,0,0,0,0|3,0,0]=4 290 B14R1.677 OC(=O)CCNCc1ccc(cc1)F Amb1109654 [0,1,0,0,0,0|3,0,0]=4 291 B14R1.677 OC(=O)CCSCc1ccc(cc1)N Amb17498383 [0,1,0,0,0,0|3,0,0]=4 292 B14R1.677 OC(=O)COCCc1ccc(cc1)Br Amb17065893 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.677 OC(=O)COCCc1ccc(cc1)C Amb17065886 [0,1,0,0,0,0|3,0,0]=4 294 B14R1.677 OC(=O)COCCc1ccc(cc1)Cl Amb17065894 [0,1,0,0,0,0|3,0,0]=4 295 B14R1.677 OC(=O)CSCCc1ccc(cc1)C Amb17065871 [0,1,0,0,0,0|3,0,0]=4 296 B14R1.677 OC(=O)CSCCc1ccc(cc1)F Amb17065879 [0,1,0,0,0,0|3,0,0]=4 297 B14R1.716 BrCC(=O)NCCCc1ccccc1 Amb17323643 [0,1,0,0,0,0|1,0,0]=2 298 B14R1.716 BrCC(=O)NCCOc1ccccc1 Amb17333035 [0,1,0,0,0,0|2,0,0]=3 299 B14R1.716 C#CC(=O)NCCNc1ccccc1 Amb24723511 [0,1,0,0,0,0|2,0,1]=4 300 B14R1.716 C=C(CCOCc1ccccc1)C=O Amb24419955 [0,1,0,0,0,0|2,0,1]=4 301 B14R1.716 C=C(CCl)CCOCc1ccccc1 Amb24653568 [0,1,0,0,0,0|3,0,0]=4 302 B14R1.716 C=C(CO)C#CCCc1ccccc1 Amb24748529 [0,1,0,0,0,0|2,0,1]=4 303 B14R1.716 C=CC(=O)OCCCc1ccccc1 Amb17934135 [0,1,0,0,0,0|0,0,1]=2 304 B14R1.716 C=CC(=O)OCCSc1ccccc1 Amb17934210 [0,1,0,0,0,0|1,0,1]=3 305 B14R1.716 C=CC(=O)OC\C=C\c1ccccc1 Amb17933977 [0,1,0,0,0,0|0,0,3]=4 306 B14R1.716 CC(C=O)OCOCc1ccccc1 Amb25104863 [0,1,0,0,0,0|1,0,1]=3 307 B14R1.716 CC(CCOCc1ccccc1)C=O Amb24740978 [0,1,0,0,0,0|2,0,1]=4 308 B14R1.716 CC(CN)NCCCc1ccccc1 Amb24119035 [0,1,0,0,0,0|2,0,1]=4 309 B14R1.716 CC(CO)OCOCc1ccccc1 Amb24340676 [0,1,0,0,0,0|1,0,2]=4 310 B14R1.716 CCC(=O)CCC#Cc1ccccc1 Amb19070057 [0,1,0,0,0,0|1,0,2]=4 311 B14R1.716 CCC(=O)CCCCc1ccccc1 Amb17234942 [0,1,0,0,0,0|1,0,0]=2 312 B14R1.716 CCC(=O)CCCCc1cccnc1 Amb17235102 [0,1,0,0,0,0|2,0,0]=3 313 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,1,0,0,0,0|2,0,0]=3 314 B14R1.716 CCC(=O)NCC#Cc1ccccc1 Amb10562814 [0,1,0,0,0,0|1,0,2]=4 315 B14R1.716 CCC(=O)NCCSc1ccccc1 Amb19558300 [0,1,0,0,0,0|2,0,0]=3 316 B14R1.716 CCC(=O)OCC#Cc1ccccc1 Amb25251500 [0,1,0,0,0,0|0,0,2]=3 317 B14R1.716 CCC(=O)\C=C\NCc1ccccc1 Amb24627880 [0,1,0,0,0,0|2,0,1]=4 318 B14R1.716 CCC(C)NCCCc1ccccc1 Amb20673663 [0,1,0,0,0,0|2,0,1]=4 319 B14R1.716 CNC(=O)CCC#Cc1ccccc1 Amb25185908 [0,1,0,0,0,0|1,0,2]=4 320 B14R1.716 CNC(=O)CCNCc1c[n]ccc1 Amb19984984 [0,1,0,0,0,0|3,0,0]=4 321 B14R1.716 CNC(=O)CCNCc1ccc[n]c1 Amb19079385 [0,1,0,0,0,0|3,0,0]=4 322 B14R1.716 CNC(=O)CCNCc1ccccc1 Amb18330312 [0,1,0,0,0,0|2,0,0]=3 323 B14R1.716 CNC(=O)CNOCc1ccccc1 Amb25114481 [0,1,0,0,0,0|3,0,0]=4 324 B14R1.716 CNC(=O)CSCCc1cc[n]cc1 Amb24303597 [0,1,0,0,0,0|3,0,0]=4 325 B14R1.716 CNC(=O)CSCCc1cccc[n]1 Amb24303603 [0,1,0,0,0,0|3,0,0]=4 326 B14R1.716 CNC(=O)N\N=C\Cc1ccccc1 Amb25183663 [0,1,0,0,0,0|2,0,1]=4 327 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,1,0,0,0,0|1,0,0]=2 328 B14R1.716 CNC(=O)\C=N\OCc1ccccc1 Amb24506570 [0,1,0,0,0,0|3,0,0]=4 329 B14R1.716 COC(=O)CCCCc1cccc[n]1 Amb24113266 [0,1,0,0,0,0|2,0,0]=3 330 B14R1.716 COC(=O)CCCNc1cc[n]cc1 Amb18933138 [0,1,0,0,0,0|3,0,0]=4 331 B14R1.716 COC(=O)CCCNc1cccc[n]1 Amb18933129 [0,1,0,0,0,0|3,0,0]=4 332 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,1,0,0,0,0|2,0,0]=3 333 B14R1.716 COC(=O)NCC#Cc1ccccc1 Amb24374036 [0,1,0,0,0,0|1,0,2]=4 334 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,1,0,0,0,0|2,0,0]=3 335 B14R1.716 COC(=O)OCC=Cc1ccccc1 Amb22230406 [0,1,0,0,0,0|0,0,2]=3 336 B14R1.716 C[C@@H](C=O)OCC#Cc1ccccc1 Amb24620123 [0,1,0,0,0,0|0,0,3]=4 337 B14R1.716 C[C@@H](C=O)OCOCc1ccccc1 Amb24347014 [0,1,0,0,0,0|1,0,1]=3 338 B14R1.716 C[C@@H](CCOCc1ccccc1)C=O Amb24682868 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.716 C[C@H](C=O)OCOCc1ccccc1 Amb25858257 [0,1,0,0,0,0|1,0,1]=3 340 B14R1.716 C\C(=C/COCc1ccccc1)\C=O Amb18650557 [0,1,0,0,0,0|2,0,0]=3 341 B14R1.716 C\C(=C\COCc1ccccc1)\C=O Amb24540844 [0,1,0,0,0,0|2,0,0]=3 342 B14R1.716 C\C(\CCNCc1ccccc1)=C\C Amb24440553 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.716 C\C(\CCNCc1ccccc1)=N\O Amb24696355 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.716 C\C(\CCl)=C/COCc1ccccc1 Amb24403278 [0,1,0,0,0,0|3,0,0]=4 345 B14R1.716 C\C(\CCl)=C\COCc1ccccc1 Amb25287177 [0,1,0,0,0,0|3,0,0]=4 346 B14R1.716 C\N=C(\N)/NCCNc1ccccc1 Amb25318489 [0,1,0,0,0,0|3,0,0]=4 347 B14R1.716 ClCC(=O)NCCCc1ccccc1 Amb1103589 [0,1,0,0,0,0|1,0,0]=2 348 B14R1.716 ClCC(=O)NCCSc1ccccc1 Amb1657260 [0,1,0,0,0,0|2,0,0]=3 349 B14R1.716 NCC(=O)CCOCc1ccccc1 Amb25698053 [0,1,0,0,0,0|2,0,0]=3 350 B14R1.716 NCC(=O)NCCOc1ccccc1 Amb17235931 [0,1,0,0,0,0|2,0,0]=3 351 B14R1.716 NCC(=O)NCCSc1ccccc1 Amb24770028 [0,1,0,0,0,0|2,0,0]=3 352 B14R1.716 NNC(=O)CCCCc1ccccc1 Amb22484620 [0,1,0,0,0,0|2,0,0]=3 353 B14R1.716 NNC(=O)CCCNc1ccccc1 Amb1007482 [0,1,0,0,0,0|3,0,0]=4 354 B14R1.716 NNC(=O)CCNCc1ccccc1 Amb17604772 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.716 O=C(CBr)CCOCc1ccccc1 Amb25342908 [0,1,0,0,0,0|2,0,0]=3 356 B14R1.716 O=C(CBr)OCCCc1ccccc1 Amb24094180 [0,1,0,0,0,0|0,0,0]=1 357 B14R1.716 O=C(CCl)NCC#Cc1ccccc1 Amb19514326 [0,1,0,0,0,0|1,0,2]=4 358 B14R1.716 O=C(CCl)NCOCc1ccccc1 Amb25181342 [0,1,0,0,0,0|2,0,0]=3 359 B14R1.716 O=C(CCl)OCC=Cc1ccccc1 Amb22358971 [0,1,0,0,0,0|0,0,2]=3 360 B14R1.818 CC(=CC(C)=O)NCc1ccccc1 Amb24079060 [0,1,0,0,0,0|2,0,1]=4 361 B14R1.818 CC(=O)CC(=S)NCc1ccccc1 Amb24451576 [0,1,0,0,0,0|2,0,1]=4 362 B14R1.818 CC(=O)CC(O)OCc1ccccc1 Amb25802890 [0,1,0,0,0,0|2,0,0]=3 363 B14R1.818 CC(=O)C[C@@H](N)C#Cc1ccccc1 Amb25664270 [0,1,0,0,0,0|1,0,2]=4 364 B14R1.818 CC(=O)C[C@H](O)C#Cc1ccccc1 Amb25688770 [0,1,0,0,0,0|1,0,2]=4 365 B14R1.818 CC(=O)NC(=C)CCc1ccccc1 Amb24741052 [0,1,0,0,0,0|1,0,1]=3 366 B14R1.818 CC(=O)NC(=N)NCc1ccccc1 Amb25351673 [0,1,0,0,0,0|2,0,1]=4 367 B14R1.818 CC(=O)NC(=O)CNc1ccccc1 Amb25814083 [0,1,0,0,0,0|2,0,1]=4 368 B14R1.818 CC(=O)NC(=O)OCc1ccccc1 Amb24506532 [0,1,0,0,0,0|2,0,1]=4 369 B14R1.818 CC(=O)NC(=O)SCc1ccccc1 Amb24639120 [0,1,0,0,0,0|2,0,1]=4 370 B14R1.818 CC(=O)NC(C)CNc1ccccc1 Amb25750704 [0,1,0,0,0,0|2,0,0]=3 371 B14R1.818 CC(=O)OC(C)C#Cc1ccccc1 Amb25676953 [0,1,0,0,0,0|0,0,2]=3 372 B14R1.818 CC(=O)[CH-]C(=O)NCc1ccccc1 Amb22445976 [0,1,0,0,0,0|2,0,1]=4 373 B14R1.818 CC(C)=CC(C)NCc1ccccc1 Amb25833857 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.818 CC(C)=CC(O)CNc1ccccc1 Amb24374615 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.818 CC(CC(=O)N)NCc1ccccc1 Amb17235456 [0,1,0,0,0,0|3,0,0]=4 376 B14R1.818 CC(CC(N)=O)OCc1ccccc1 Amb25249681 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,1,0,0,0,0|2,0,0]=3 379 B14R1.818 CC(CS(C)=O)NCc1ccccc1 Amb25166531 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.818 CC(OCc1ccccc1)C=C(C)C Amb17844386 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.818 C[C@@H](CC(N)=O)NCc1ccccc1 Amb24566940 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.818 C[C@@H](CC(N)=O)OCc1ccccc1 Amb24498301 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.818 C[C@@H](CC(O)=O)NCc1ccccc1 Amb25124067 [0,1,0,0,0,0|3,0,0]=4 384 B14R1.818 C[C@@H](CC(O)=O)OCc1ccccc1 Amb24335959 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.818 C\C(\CCc1ccccc1)=C\C(O)=O Amb22095783 [0,1,0,0,0,0|2,0,1]=4 386 B14R1.818 NC(=O)NC(=O)CCc1ccccc1 Amb24335936 [0,1,0,0,0,0|2,0,1]=4 387 B14R1.818 NC(CC(=O)O)CCc1ccccc1 Amb1993736 [0,1,0,0,0,0|2,0,0]=3 388 B14R1.818 N[C@@H](CCc1ccccc1)CC(O)=O Amb19887670 [0,1,0,0,0,0|2,0,0]=3 389 B14R1.818 N[C@@H](CCc1ccccc1)CC(O)=O Amb22746249 [0,1,0,0,0,0|2,0,0]=3 390 B14R1.818 N[C@H](CCc1ccccc1)CC(O)=O Amb19888418 [0,1,0,0,0,0|2,0,0]=3 391 B14R1.818 O=C(CC(=O)C)NCc1ccccc1 Amb1034892 [0,1,0,0,0,0|2,0,1]=4 392 B14R1.818 O=C(CC(=O)O)CCc1ccccc1 Amb17235338 [0,1,0,0,0,0|2,0,1]=4 393 B14R1.818 OC(CC(=O)O)CCc1ccccc1 Amb17235897 [0,1,0,0,0,0|2,0,0]=3 394 B14R1.818 S=C(NC(=O)C)NCc1ccccc1 Amb2054418 [0,1,0,0,0,0|2,0,1]=4 395 B14R1.3331 CP(C)(=O)CCNCc1ccccc1 Amb25207796 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.3331 CS(=O)(=O)CCCCc1ccccc1 Amb24287787 [0,1,0,0,0,0|2,0,0]=3 397 B14R1.3331 CS(=O)(=O)CCNCc1ccccc1 Amb25839478 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.3331 CS(=O)(=O)CCSCc1ccccc1 Amb20909327 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.3331 C[Si](C)(Cl)CCCCc1ccccc1 Amb19894001 [0,1,0,0,0,0|2,1,0]=4 400 B14R1.3331 O=S(=O)(Cl)CCCCc1ccccc1 Amb18560100 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.3331 OP(O)(=O)OCNCc1ccccc1 Amb25685987 [0,1,0,0,0,0|3,0,0]=4 402 B14R1.6449 CC(=C)C(=O)OCCc1ccccc1 Amb17934134 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.6449 CC(=C)C(N)COCc1ccccc1 Amb24726739 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.6449 CC(=C)[C@@H](O)COCc1ccccc1 Amb24403871 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 Amb25103178 [0,1,0,0,0,0|2,0,0]=3 406 B14R1.6449 CC(=O)C(=O)NCCc1ccccc1 Amb17401500 [0,1,0,0,0,0|2,0,0]=3 407 B14R1.6449 CC(=O)C(C)CC#Cc1ccccc1 Amb19070058 [0,1,0,0,0,0|1,0,2]=4 408 B14R1.6449 CC(=O)[C@@H](C)COCc1ccccc1 Amb24544010 [0,1,0,0,0,0|2,0,0]=3 409 B14R1.6449 CC(=O)\C(\O)=C\NCc1ccccc1 Amb24758955 [0,1,0,0,0,0|2,0,1]=4 410 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 Amb17235913 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.6449 CC(C)=C(C)CNCc1ccccc1 Amb25111160 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.6449 CC(CNCc1ccccc1)C(O)=O Amb20623866 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.6449 CN(C(=O)N)CCNc1ccccc1 Amb16229498 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.6449 CN(C)C(=S)CCCc1ccccc1 Amb24072816 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.6449 C[C@@H](C(=O)O)COCc1ccccc1 Amb10844261 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.6449 C[C@H](C(=O)O)COCc1ccccc1 Amb10844264 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.6449 C\C(=C\NCc1ccccc1)\C(C)=O Amb25672607 [0,1,0,0,0,0|2,0,1]=4 418 B14R1.6449 NC(=O)C(Cl)COCc1ccccc1 Amb25103271 [0,1,0,0,0,0|3,0,0]=4 419 B14R1.6449 NC(=O)C(N)COCc1ccccc1 Amb25809213 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.6449 NC(CCCc1ccccc1)C(O)=O Amb19342362 [0,1,0,0,0,0|2,0,0]=3 421 B14R1.6449 N[C@@H](CCCc1ccccc1)C(O)=O Amb20241024 [0,1,0,0,0,0|2,0,0]=3 422 B14R1.6449 N[C@H](COCc1ccccc1)C(O)=O Amb19944297 [0,1,0,0,0,0|3,0,0]=4 423 B14R1.6449 OC(=O)C(Br)COCc1ccccc1 Amb18668071 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.6449 OC(=O)C(Cl)COCc1ccccc1 Amb25734789 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.6449 OC(=O)[C@@H](Cl)COCc1ccccc1 Amb25752794 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.6449 OC(=O)[C@@H](O)CNCc1ccccc1 Amb24650939 [0,1,0,0,0,0|3,0,0]=4 427 B14R1.6449 OC(=O)[C@@H](O)COCc1ccccc1 Amb25088415 [0,1,0,0,0,0|3,0,0]=4 428 B14R1.6449 OC(=O)[C@@H](S)CNCc1ccccc1 Amb25381284 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.6449 OC(=O)[C@H](Cl)COCc1ccccc1 Amb25309625 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.6449 OC(=O)[C@H](O)COCc1ccccc1 Amb24428781 [0,1,0,0,0,0|3,0,0]=4 431 B14R2.2 CC(=C)CC1NCc2ccccc21 Amb24689726 [0,0,0,1,0,0|3,0,0]=4 432 B14R2.2 CC(=O)CC1CNc2ccccc21 Amb25155675 [0,0,0,1,0,0|2,0,0]=3 433 B14R2.2 CC(=O)C[C@H]1CCc2ccccc21 Amb24495028 [0,0,0,1,0,0|1,0,0]=2 434 B14R2.2 CC(=O)NC1=CCc2ccccc12 Amb22270448 [0,0,0,1,0,0|1,0,2]=4 435 B14R2.2 CC(=O)NC1COc2ccccc21 Amb25369926 [0,0,0,1,0,0|2,0,0]=3 436 B14R2.2 CC(=O)NN1CCc2ccccc12 Amb21951336 [0,0,0,1,0,0|2,0,0]=3 437 B14R2.2 CC(=O)N[C@H]1CCc2ccc[n]c21 Amb24343851 [0,0,0,1,0,0|2,0,0]=3 438 B14R2.2 CC(=O)OC1CCc2ccc[n]c21 Amb22497182 [0,0,0,1,0,0|1,0,0]=2 439 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [0,0,0,1,0,0|0,0,0]=1 440 B14R2.2 CC(=O)OC1COc2cc[n]cc21 Amb24400622 [0,0,0,1,0,0|2,0,0]=3 441 B14R2.2 CC(=O)OC1COc2ccccc21 Amb24393757 [0,0,0,1,0,0|1,0,0]=2 442 B14R2.2 CC(=O)O[n]1ccc2ccccc12 Amb25760121 [0,0,0,1,0,0|1,0,2]=4 443 B14R2.2 CC(=O)Oc1[n][nH]c2ccccc21 Amb25850315 [0,0,0,1,0,0|2,0,1]=4 444 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 Amb1229160 [0,0,0,1,0,0|1,0,2]=4 445 B14R2.2 CC(=O)Oc1c[s]c2ccccc21 Amb24066373 [0,0,0,1,0,0|1,0,2]=4 446 B14R2.2 CC(=O)\C=C\1/CCc2ccccc12 Amb25116540 [0,0,0,1,0,0|1,0,1]=3 447 B14R2.2 CC(=O)\C=C\1/OCc2ccccc12 Amb19651458 [0,0,0,1,0,0|2,0,1]=4 448 B14R2.2 CN(C)NC1CCc2ccccc21 Amb25348027 [0,0,0,1,0,0|3,0,0]=4 449 B14R2.2 NC(=N)NC1CCc2ccccc21 Amb18183953 [0,0,0,1,0,0|3,0,0]=4 450 B14R2.2 NC(=N)SC1CCc2ccccc21 Amb22330388 [0,0,0,1,0,0|2,1,0]=4 451 B14R2.2 NC(=N)SC1CCc2ccccc21 Amb24113402 [0,0,0,1,0,0|2,1,0]=4 452 B14R2.2 NC(=O)CC1CCc2c1cccc2 Amb17233113 [0,0,0,1,0,0|2,0,0]=3 453 B14R2.2 NC(=O)CC1CNc2ccccc21 Amb22371342 [0,0,0,1,0,0|3,0,0]=4 454 B14R2.2 NC(=O)CC1SCc2ccccc21 Amb24489016 [0,0,0,1,0,0|3,0,0]=4 455 B14R2.2 NC(=O)NC1COc2ccccc21 Amb24455414 [0,0,0,1,0,0|3,0,0]=4 456 B14R2.2 NC(=O)NN1CCc2ccccc12 Amb24638316 [0,0,0,1,0,0|3,0,0]=4 457 B14R2.2 NC(N)=NC1CCc2ccccc21 Amb24271273 [0,0,0,1,0,0|3,0,0]=4 458 B14R2.2 OC(=O)CC1CNc2ccccc21 Amb19429209 [0,0,0,1,0,0|3,0,0]=4 459 B14R2.2 OC(=O)CC1NCc2ccccc21 Amb18196180 [0,0,0,1,0,0|3,0,0]=4 460 B14R2.2 OC(=O)CC1OCc2ccccc21 Amb18195570 [0,0,0,1,0,0|3,0,0]=4 461 B14R2.2 OC(=O)C[C@H]1CCc2ccccc21 Amb25337786 [0,0,0,1,0,0|2,0,0]=3 462 B14R2.2 OC(=O)\C=C/1\CCc2ccccc12 Amb25102937 [0,0,0,1,0,0|2,0,1]=4 463 B14R2.2 OC(=O)\C=C\1/CCc2ccccc12 Amb18035939 [0,0,0,1,0,0|2,0,1]=4 464 B14R2.19 BrC1CC(CC1)Cc2ccccc2 Amb25345569 [0,0,0,1,0,0|2,0,1]=4 465 B14R2.19 C=C1CN(Cc2ccccc2)CC1 Amb19334016 [0,0,0,1,0,0|3,0,0]=4 466 B14R2.19 CC1CCC(Cc2ccccc2)N1 Amb24606534 [0,0,0,1,0,0|2,0,1]=4 467 B14R2.19 CC=1CCC(C1)Nc2ccccc2 Amb25096401 [0,0,0,1,0,0|3,0,0]=4 468 B14R2.19 C[C@@H]1CC[C@@H](Cc2ccccc2)N1 Amb24519291 [0,0,0,1,0,0|2,0,1]=4 469 B14R2.19 C[C@H]1CC[C@@H](Cc2ccccc2)N1 Amb24608882 [0,0,0,1,0,0|2,0,1]=4 470 B14R2.19 Cc1[n]c(Cc2ccccc2)[n]o1 Amb25760165 [0,0,0,1,0,0|2,0,1]=4 471 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,1,0,0|2,0,0]=3 472 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,1,0,0|2,1,0]=4 473 B14R2.19 NC1CC(CC1)Cc2ccccc2 Amb25337996 [0,0,0,1,0,0|2,0,1]=4 474 B14R2.19 O=C1C=C(CO1)Nc2ccccc2 Amb22481357 [0,0,0,1,0,0|1,0,2]=4 475 B14R2.19 O=C1C=C(CO1)Sc2ccccc2 Amb21928058 [0,0,0,1,0,0|1,0,2]=4 476 B14R2.19 O=C1CC(CC1)Sc2cccc[n]2 Amb25731692 [0,0,0,1,0,0|3,0,0]=4 477 B14R2.19 O=C1CC(CC1)Sc2ccccc2 Amb25815229 [0,0,0,1,0,0|2,0,0]=3 478 B14R2.19 O=C1CC(Cc2cc[n]cc2)CN1 Amb24349657 [0,0,0,1,0,0|2,0,0]=3 479 B14R2.19 O=C1CC(Cc2ccc[n]c2)CC1 Amb25684374 [0,0,0,1,0,0|2,0,0]=3 480 B14R2.19 O=C1CC(Cc2ccccc2)=CC1 Amb24422432 [0,0,0,1,0,0|1,0,2]=4 481 B14R2.19 O=C1CC(Cc2ccccc2)CC1 Amb24455173 [0,0,0,1,0,0|1,0,0]=2 482 B14R2.19 O=C1CC(Nc2ccccc2)=NO1 Amb25192239 [0,0,0,1,0,0|2,0,1]=4 483 B14R2.19 O=C1CCC(Cc2cccc[n]2)N1 Amb25763357 [0,0,0,1,0,0|3,0,0]=4 484 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,0,0,1,0,0|2,0,0]=3 485 B14R2.19 O=C1CCN(C1)Cc2ccccc2 Amb1680105 [0,0,0,1,0,0|2,0,0]=3 486 B14R2.19 O=C1CCN(N1)Cc2ccccc2 Amb2423894 [0,0,0,1,0,0|3,0,0]=4 487 B14R2.19 O=C1CC[C@@H](Cc2ccccc2)N1 Amb25068439 [0,0,0,1,0,0|2,0,0]=3 488 B14R2.19 O=C1CC[C@H](Cc2ccccc2)N1 Amb25365168 [0,0,0,1,0,0|2,0,0]=3 489 B14R2.19 O=C1CN(Cc2ccccc2)CC1 Amb18048933 [0,0,0,1,0,0|2,0,0]=3 490 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CC1 Amb24723978 [0,0,0,1,0,0|1,0,0]=2 491 B14R2.19 O=C1C\C(\CO1)=C\c2ccccc2 Amb24712490 [0,0,0,1,0,0|0,0,2]=3 492 B14R2.19 O=C1NC(Cc2c[n]c[n]c2)CO1 Amb24741029 [0,0,0,1,0,0|3,0,0]=4 493 B14R2.19 O=C1NC(Cc2cc[n]c[n]2)CO1 Amb25082675 [0,0,0,1,0,0|3,0,0]=4 494 B14R2.19 O=C1NC(Cc2ccc[n][n]2)CO1 Amb25192454 [0,0,0,1,0,0|3,0,0]=4 495 B14R2.19 O=C1NC(Cc2cccc[n]2)CO1 Amb25288331 [0,0,0,1,0,0|2,0,0]=3 496 B14R2.19 O=C1NC(Cc2ccccc2)=NO1 Amb18184032 [0,0,0,1,0,0|2,0,1]=4 497 B14R2.19 O=C1NCC(C1)Cc2ccccc2 Amb10608007 [0,0,0,1,0,0|1,0,0]=2 498 B14R2.19 O=C1NCC(C[n+]2ccccc2)O1 Amb25046769 [0,0,0,1,0,0|3,0,0]=4 499 B14R2.19 O=C1NCC(Cc2ccccc2)N1 Amb18061673 [0,0,0,1,0,0|2,0,0]=3 500 B14R2.19 O=C1NCC(Cc2ccccc2)O1 Amb18061675 [0,0,0,1,0,0|2,0,0]=3 501 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CS1 Amb19887642 [0,0,0,1,0,0|1,1,0]=3 502 B14R2.19 O=C1N[C@H](Cc2ccccc2)CS1 Amb19888420 [0,0,0,1,0,0|1,1,0]=3 503 B14R2.19 O=C1OC(Cc2ccccc2)CS1 Amb25726403 [0,0,0,1,0,0|1,1,0]=3 504 B14R2.19 O=C1OCC(O1)Sc2cc[n]cc2 Amb24410445 [0,0,0,1,0,0|3,0,0]=4 505 B14R2.19 O=C1OCC(O1)Sc2cccc[n]2 Amb25749218 [0,0,0,1,0,0|3,0,0]=4 506 B14R2.19 O=C1OCC(O1)Sc2ccccc2 Amb25749160 [0,0,0,1,0,0|2,0,0]=3 507 B14R2.19 O=C1ON=C(C1)Cc2ccccc2 Amb1099037 [0,0,0,1,0,0|1,0,1]=3 508 B14R2.19 OC1CC(Cc2ccccc2)CO1 Amb22752560 [0,0,0,1,0,0|0,0,2]=3 509 B14R2.19 O[C@@H]1C[C@@H](CC1)Cc2ccccc2 Amb25271477 [0,0,0,1,0,0|1,0,2]=4 510 B14R2.19 S=C1NC(Cc2ccccc2)CS1 Amb24079058 [0,0,0,1,0,0|1,2,0]=4 511 B14R2.19 S=C1NCC(Cc2ccccc2)N1 Amb24417734 [0,0,0,1,0,0|2,1,0]=4 512 B14R2.21 CC1CC(CCN1)c2ccccc2 Amb25765759 [0,0,0,1,0,0|2,0,1]=4 513 B14R2.21 CC1NC(CCS1)c2ccccc2 Amb25766531 [0,0,0,1,0,0|1,1,1]=4 514 B14R2.21 CC=1CC(NCC1)c2ccccc2 Amb25046867 [0,0,0,1,0,0|3,0,0]=4 515 B14R2.21 CC=1CC(OCC1)c2ccccc2 Amb24066155 [0,0,0,1,0,0|3,0,0]=4 516 B14R2.21 C[C@@H]1CCC[C@@H](N1)c2ccccc2 Amb24710306 [0,0,0,1,0,0|2,0,1]=4 517 B14R2.21 C[C@@H]1N[C@@H](CCS1)c2ccccc2 Amb24602392 [0,0,0,1,0,0|1,1,1]=4 518 B14R2.21 C[C@H]1CCC[C@@H](N1)c2ccccc2 Amb25224330 [0,0,0,1,0,0|2,0,1]=4 519 B14R2.21 NC1=NC(CCS1)c2ccccc2 Amb25774997 [0,0,0,1,0,0|2,1,0]=4 520 B14R2.21 NC1CC(CCC1)c2ccccc2 Amb18564035 [0,0,0,1,0,0|2,0,1]=4 521 B14R2.21 NC1CC(CCC1)c2ccccc2 Amb24183813 [0,0,0,1,0,0|2,0,1]=4 522 B14R2.21 NC1C[C@H](CCC1)c2ccccc2 Amb25670231 [0,0,0,1,0,0|2,0,1]=4 523 B14R2.21 NC=1CCCC(N1)c2ccccc2 Amb25138745 [0,0,0,1,0,0|3,0,0]=4 524 B14R2.21 NC=1NCCC(N1)c2ccccc2 Amb18127516 [0,0,0,1,0,0|3,0,0]=4 525 B14R2.21 NN1CC(CCC1)c2ccccc2 Amb25157115 [0,0,0,1,0,0|3,0,0]=4 526 B14R2.21 N[C@H]1C[C@H](CCC1)c2ccccc2 Amb24655984 [0,0,0,1,0,0|2,0,1]=4 527 B14R2.21 O=C1C=CCC(N1)c2ccccc2 Amb25309660 [0,0,0,1,0,0|2,0,1]=4 528 B14R2.21 O=C1C=CC[C@@H](N1)c2ccccc2 Amb25201635 [0,0,0,1,0,0|2,0,1]=4 529 B14R2.21 O=C1C=CC[C@@H](O1)c2ccccc2 Amb25157497 [0,0,0,1,0,0|2,0,1]=4 530 B14R2.21 O=C1CC(C=CO1)c2ccccc2 Amb24685281 [0,0,0,1,0,0|0,0,2]=3 531 B14R2.21 O=C1CC(CC=C1)c2ccccc2 Amb23443331 [0,0,0,1,0,0|1,0,1]=3 532 B14R2.21 O=C1CC(CCC1)c2[n]ccc[n]2 Amb24416618 [0,0,0,1,0,0|3,0,0]=4 533 B14R2.21 O=C1CC(CCC1)c2cc[n]cc2 Amb25044331 [0,0,0,1,0,0|2,0,0]=3 534 B14R2.21 O=C1CC(CCC1)c2ccc[n]c2 Amb24553703 [0,0,0,1,0,0|2,0,0]=3 535 B14R2.21 O=C1CC(CCC1)c2cccc[n]2 Amb21961938 [0,0,0,1,0,0|2,0,0]=3 536 B14R2.21 O=C1CC(CCC1)c2ccccc2 Amb18065540 [0,0,0,1,0,0|1,0,0]=2 537 B14R2.21 O=C1CC(CCN1)c2ccccc2 Amb20171612 [0,0,0,1,0,0|1,0,0]=2 538 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [0,0,0,1,0,0|0,0,0]=1 539 B14R2.21 O=C1CC(NCC1)c2cc[n]cc2 Amb18196727 [0,0,0,1,0,0|3,0,0]=4 540 B14R2.21 O=C1CC(NCC1)c2cccc[n]2 Amb18196728 [0,0,0,1,0,0|3,0,0]=4 541 B14R2.21 O=C1CC(NCC1)c2ccccc2 Amb22274020 [0,0,0,1,0,0|2,0,0]=3 542 B14R2.21 O=C1CC(OCC1)c2cc[n]cc2 Amb23586180 [0,0,0,1,0,0|3,0,0]=4 543 B14R2.21 O=C1CC(OCC1)c2ccc[n]c2 Amb23586184 [0,0,0,1,0,0|3,0,0]=4 544 B14R2.21 O=C1CC(OCC1)c2ccccc2 Amb19957821 [0,0,0,1,0,0|2,0,0]=3 545 B14R2.21 O=C1CCCC(N1)c2cccc[n]2 Amb23569074 [0,0,0,1,0,0|3,0,0]=4 546 B14R2.21 O=C1CCCC(O1)c2ccccc2 Amb24118032 [0,0,0,1,0,0|2,0,0]=3 547 B14R2.21 O=C1CCC[C@@H](N1)c2ccccc2 Amb24759096 [0,0,0,1,0,0|2,0,0]=3 548 B14R2.21 O=C1CCC[C@@H](O1)c2ccccc2 Amb25097059 [0,0,0,1,0,0|2,0,0]=3 549 B14R2.21 O=C1CCC[C@H](N1)c2ccccc2 Amb25131134 [0,0,0,1,0,0|2,0,0]=3 550 B14R2.21 O=C1CCC[C@H](O1)c2ccccc2 Amb25100832 [0,0,0,1,0,0|2,0,0]=3 551 B14R2.21 O=C1CCNC(C1)c2ccccc2 Amb17233086 [0,0,0,1,0,0|2,0,0]=3 552 B14R2.21 O=C1CCNC(C1)c2cccnc2 Amb17233193 [0,0,0,1,0,0|3,0,0]=4 553 B14R2.21 O=C1CCOC(N1)c2ccccc2 Amb24757545 [0,0,0,1,0,0|3,0,0]=4 554 B14R2.21 O=C1CN(CC=C1)c2ccccc2 Amb24492699 [0,0,0,1,0,0|2,0,1]=4 555 B14R2.21 O=C1CN(CCC1)c2cccc[n]2 Amb25669384 [0,0,0,1,0,0|3,0,0]=4 556 B14R2.21 O=C1CN(CCC1)c2ccccc2 Amb19958729 [0,0,0,1,0,0|2,0,0]=3 557 B14R2.21 O=C1CN(CCN1)c2cc[n]cc2 Amb24094480 [0,0,0,1,0,0|3,0,0]=4 558 B14R2.21 O=C1CNCC(O1)c2ccccc2 Amb23536463 [0,0,0,1,0,0|3,0,0]=4 559 B14R2.21 O=C1COCC(N1)c2ccccc2 Amb21864800 [0,0,0,1,0,0|3,0,0]=4 560 B14R2.21 O=C1COC[C@@H](N1)c2ccccc2 Amb24181880 [0,0,0,1,0,0|3,0,0]=4 561 B14R2.21 O=C1COC[C@H](N1)c2ccccc2 Amb24654701 [0,0,0,1,0,0|3,0,0]=4 562 B14R2.21 O=C1CP(CCN1)c2ccccc2 Amb25105493 [0,0,0,1,0,0|2,0,0]=3 563 B14R2.21 O=C1C[C@@H](CC=C1)c2ccccc2 Amb24492589 [0,0,0,1,0,0|1,0,1]=3 564 B14R2.21 O=C1C[C@@H](CCC1)c2ccccc2 Amb22745610 [0,0,0,1,0,0|1,0,0]=2 565 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [0,0,0,1,0,0|0,0,0]=1 566 B14R2.21 O=C1C[C@@H](NC=C1)c2ccccc2 Amb25732040 [0,0,0,1,0,0|2,0,1]=4 567 B14R2.21 O=C1C[C@@H](OC=C1)c2ccccc2 Amb25785647 [0,0,0,1,0,0|2,0,1]=4 568 B14R2.21 O=C1C[C@@H](OCC1)c2ccccc2 Amb22748229 [0,0,0,1,0,0|2,0,0]=3 569 B14R2.21 O=C1C[C@H](CC=C1)c2ccccc2 Amb25373085 [0,0,0,1,0,0|1,0,1]=3 570 B14R2.21 O=C1C[C@H](CCN1)c2ccccc2 Amb25191711 [0,0,0,1,0,0|1,0,0]=2 571 B14R2.21 O=C1C[C@H](NC=C1)c2ccccc2 Amb25858746 [0,0,0,1,0,0|2,0,1]=4 572 B14R2.21 O=C1C[C@H](OCC1)c2ccccc2 Amb24408429 [0,0,0,1,0,0|2,0,0]=3 573 B14R2.21 O=C1NC(CCN1)c2cccc[n]2 Amb24358813 [0,0,0,1,0,0|3,0,0]=4 574 B14R2.21 O=C1NC(CCN1)c2ccccc2 Amb25733512 [0,0,0,1,0,0|2,0,0]=3 575 B14R2.21 O=C1NC(CCO1)c2cc[n]cc2 Amb25795538 [0,0,0,1,0,0|2,0,0]=3 576 B14R2.21 O=C1NCCC(O1)c2ccccc2 Amb25081073 [0,0,0,1,0,0|2,0,0]=3 577 B14R2.21 O=C1NN(CCN1)c2ccccc2 Amb25190360 [0,0,0,1,0,0|3,0,0]=4 578 B14R2.21 O=C1N[C@@H](CCN1)c2ccccc2 Amb25288289 [0,0,0,1,0,0|2,0,0]=3 579 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [0,0,0,1,0,0|1,0,0]=2 580 B14R2.21 O=C1N[C@H](CCN1)c2ccccc2 Amb24441525 [0,0,0,1,0,0|2,0,0]=3 581 B14R2.21 O=C1N[C@H](CCO1)c2cc[n]cc2 Amb25156414 [0,0,0,1,0,0|2,0,0]=3 582 B14R2.21 O=C1N[C@H](CCO1)c2ccc[n]c2 Amb25156419 [0,0,0,1,0,0|2,0,0]=3 583 B14R2.21 O=C1N[C@H](CCO1)c2cccc[n]2 Amb25153779 [0,0,0,1,0,0|2,0,0]=3 584 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [0,0,0,1,0,0|1,0,0]=2 585 B14R2.21 O=S1CC(NCC1)c2ccccc2 Amb19374300 [0,0,0,1,0,0|3,0,0]=4 586 B14R2.21 OC1CC(CCO1)c2ccccc2 Amb25739647 [0,0,0,1,0,0|0,0,2]=3 587 B14R2.21 O[C@@H]1C[C@@H](CCC1)c2ccccc2 Amb25316009 [0,0,0,1,0,0|1,0,2]=4 588 B14R2.21 O[C@@H]1C[C@@H](CCO1)c2ccccc2 Amb25271997 [0,0,0,1,0,0|0,0,2]=3 589 B14R2.21 O[C@@H]1C[C@H](CCC1)c2ccccc2 Amb25256667 [0,0,0,1,0,0|1,0,2]=4 590 B14R2.21 S=C1NCCC(O1)c2ccccc2 Amb25840970 [0,0,0,1,0,0|2,0,1]=4 591 B14R2.333 CC1(C)NCCC1c2ccccc2 Amb18279937 [0,0,0,1,0,0|2,0,1]=4 592 B14R2.333 O=S1(=O)NCCC1c2ccccc2 Amb22230020 [0,0,0,1,0,0|3,0,0]=4 593 B14R2.391 NC1Cc2ccccc2CCCC1 Amb25200949 [0,0,0,1,0,0|2,0,1]=4 594 B14R2.391 O=C1CCCOc2ccccc2N1 Amb25669175 [0,0,0,1,0,0|3,0,0]=4 595 B14R2.391 O=C1CCSCc2ccccc2N1 Amb24444838 [0,0,0,1,0,0|3,0,0]=4 596 B14R2.391 O=S1Cc2ccccc2NCCC1 Amb24451209 [0,0,0,1,0,0|3,0,0]=4 597 B14R2.391 OC1Cc2ccccc2CCCC1 Amb24718407 [0,0,0,1,0,0|1,0,2]=4 598 B14R2.391 S=C1CCCCc2ccccc2N1 Amb25733125 [0,0,0,1,0,0|2,1,0]=4 599 B14R2.436 O=C1CC(C#Cc2ccccc2)N1 Amb25803644 [0,0,0,1,0,0|1,0,2]=4 600 B14R2.436 O=C1CC(C1)OCc2ccccc2 Amb10844904 [0,0,0,1,0,0|2,0,0]=3 601 B14R2.436 O=C1CC(N1)SCc2ccc[n]c2 Amb25121168 [0,0,0,1,0,0|3,0,0]=4 602 B14R2.436 O=C1CC(N1)SCc2ccccc2 Amb25770538 [0,0,0,1,0,0|2,0,0]=3 603 B14R2.436 O=C1CC(\C=C\c2ccccc2)N1 Amb24666627 [0,0,0,1,0,0|1,0,2]=4 604 B14R2.764 CC(=O)C/1C\C1=C\c2ccccc2 Amb25034284 [0,0,0,1,0,0|1,0,2]=4 605 B14R2.764 CC(=O)C1CC1Oc2ccccc2 Amb24408342 [0,0,0,1,0,0|2,0,0]=3 606 B14R2.764 CC(=O)C1OC1Cc2ccccc2 Amb24706975 [0,0,0,1,0,0|2,0,0]=3 607 B14R2.764 CC(=O)[C@@H]1C[C@H]1Oc2ccccc2 Amb24655035 [0,0,0,1,0,0|2,0,0]=3 608 B14R2.764 CC(=O)[C@@H]1O[C@H]1Cc2ccccc2 Amb24512629 [0,0,0,1,0,0|2,0,0]=3 609 B14R2.764 NC(=O)C1CC1Cc2ccccc2 Amb25802442 [0,0,0,1,0,0|2,0,0]=3 610 B14R2.764 NC(=O)C1CC1Oc2ccccc2 Amb25702314 [0,0,0,1,0,0|3,0,0]=4 611 B14R2.764 NC(=O)[C@@H]1C[C@H]1Oc2ccccc2 Amb24649972 [0,0,0,1,0,0|3,0,0]=4 612 B14R2.764 OC(=O)C1CC1Cc2ccc[n]c2 Amb23453734 [0,0,0,1,0,0|3,0,0]=4 613 B14R2.764 OC(=O)C1CC1Cc2ccccc2 Amb18990227 [0,0,0,1,0,0|2,0,0]=3 614 B14R2.764 OC(=O)[C@@H]1C[C@H]1Cc2ccccc2 Amb25179092 [0,0,0,1,0,0|2,0,0]=3 615 B14R2.764 OC(=O)[C@@H]1C[C@H]1Oc2ccccc2 Amb25173187 [0,0,0,1,0,0|3,0,0]=4 616 B14R2.764 [O-]C(=O)C1CN1Cc2ccccc2 Amb22261487 [0,0,0,1,0,0|3,0,0]=4 617 B14R2.780 CC(=O)C1CCC1c2ccccc2 Amb24548830 [0,0,0,1,0,0|1,0,0]=2 618 B14R2.780 CC(=O)N1CCC1c2ccccc2 Amb24352925 [0,0,0,1,0,0|1,0,0]=2 619 B14R2.780 CC(=O)[C@@H]1CC[C@@H]1c2ccccc2 Amb24724006 [0,0,0,1,0,0|1,0,0]=2 620 B14R2.780 OC(=O)C1CCN1c2ccccc2 Amb24444949 [0,0,0,1,0,0|3,0,0]=4 621 B14R2.780 OC(=O)C1CSC1c2ccccc2 Amb24624933 [0,0,0,1,0,0|3,0,0]=4 622 B14R2.780 OC(=O)[C@@H]1CC[C@@H]1c2ccccc2 Amb24550645 [0,0,0,1,0,0|2,0,0]=3 623 B14R2.780 OC(=O)[C@@H]1CC[C@H]1c2ccccc2 Amb24622779 [0,0,0,1,0,0|2,0,0]=3 624 B14R2.780 OC(=O)[C@@H]1NC[C@H]1c2ccccc2 Amb24552426 [0,0,0,1,0,0|3,0,0]=4 625 B14R2.780 OC(=O)[C@H]1NC[C@@H]1c2ccccc2 Amb24550614 [0,0,0,1,0,0|3,0,0]=4 626 B14R2.790 CC(=O)N[C@@H]1C[C@H]1c2ccccc2 Amb24273291 [0,0,0,1,0,0|1,0,0]=2 627 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccc[n]c2 Amb24459310 [0,0,0,1,0,0|2,0,0]=3 628 B14R2.790 CC(C)NC1CC1c2ccccc2 Amb18983169 [0,0,0,1,0,0|2,0,1]=4 629 B14R2.790 CC(N)CC1CC1c2ccccc2 Amb24471078 [0,0,0,1,0,0|2,0,1]=4 630 B14R2.790 NC(=N)NC1CC1c2ccccc2 Amb18183949 [0,0,0,1,0,0|3,0,0]=4 631 B14R2.790 NC(=N)N[C@@H]1C[C@H]1c2ccccc2 Amb24540902 [0,0,0,1,0,0|3,0,0]=4 632 B14R2.790 NC(=O)C[C@@H]1O[C@@H]1c2ccccc2 Amb24562883 [0,0,0,1,0,0|3,0,0]=4 633 B14R2.790 NC(=O)NC1CC1c2ccccc2 Amb18180588 [0,0,0,1,0,0|2,0,0]=3 634 B14R2.790 NC(=O)N[C@@H]1C[C@@H]1c2ccccc2 Amb24519168 [0,0,0,1,0,0|2,0,0]=3 635 B14R2.790 NC(=O)N[C@@H]1C[C@H]1c2ccccc2 Amb24602073 [0,0,0,1,0,0|2,0,0]=3 636 B14R2.790 NC(=S)NC1CC1c2ccccc2 Amb18330358 [0,0,0,1,0,0|2,1,0]=4 637 B14R2.790 OC(=O)CC1CC1c2ccccc2 Amb17233181 [0,0,0,1,0,0|2,0,0]=3 638 B14R2.790 OC(=O)CC1CC1c2cccnc2 Amb17233252 [0,0,0,1,0,0|3,0,0]=4 639 B14R2.790 OC(=O)CC1OC1c2ccccc2 Amb25794476 [0,0,0,1,0,0|3,0,0]=4 640 B14R2.790 OC(=O)C[C@@H]1C[C@H]1c2ccccc2 Amb24467878 [0,0,0,1,0,0|2,0,0]=3 641 B14R2.790 OC(=O)C[C@H]1C[C@@H]1c2ccccc2 Amb25209939 [0,0,0,1,0,0|2,0,0]=3 642 B14R2.5495 O=S1(=O)NCCCc2ccccc12 Amb25669392 [0,0,0,1,0,0|3,0,0]=4 643 B14R2.31137 CC(=C)CNC1Cc2ccccc21 Amb24387460 [0,0,0,1,0,0|3,0,0]=4 644 B14R2.31137 CC(=O)CCC1Cc2ccccc21 Amb25720706 [0,0,0,1,0,0|1,0,0]=2 645 B14R2.31137 CC(C)NCC1Cc2ccccc21 Amb18968592 [0,0,0,1,0,0|2,0,1]=4 646 B14R2.31137 CC(O)CCC1Cc2ccccc21 Amb24702932 [0,0,0,1,0,0|1,0,2]=4 647 B14R2.31137 CN(C)NCC1Cc2ccccc21 Amb25721827 [0,0,0,1,0,0|3,0,0]=4 648 B14R2.31137 NC(=N)NCC1Cc2ccccc21 Amb18804381 [0,0,0,1,0,0|3,0,0]=4 649 B14R2.31137 NC(=N)SCC1Cc2ccccc21 Amb24391948 [0,0,0,1,0,0|2,1,0]=4 650 B14R2.31137 NC(=S)NCC1Cc2ccccc21 Amb25373556 [0,0,0,1,0,0|2,1,0]=4 651 B14R2.31137 OC(=O)CCC1Cc2ccccc21 Amb25684770 [0,0,0,1,0,0|2,0,0]=3 652 B14R2.31359 CC(=N)N1CCCc2ccccc12 Amb25141464 [0,0,0,1,0,0|2,0,0]=3 653 B14R2.31359 CC(=O)C1=CCOc2ccccc21 Amb24449014 [0,0,0,1,0,0|2,0,1]=4 654 B14R2.31359 CC(=O)C1C=CCc2ccccc21 Amb25706975 [0,0,0,1,0,0|1,0,2]=4 655 B14R2.31359 CC(=O)C1CCCc2ccc[n]c21 Amb25046405 [0,0,0,1,0,0|2,0,0]=3 656 B14R2.31359 CC(=O)C1CCCc2ccccc21 Amb18183860 [0,0,0,1,0,0|1,0,0]=2 657 B14R2.31359 CC(=O)C1CCNc2ccccc21 Amb25839747 [0,0,0,1,0,0|2,0,0]=3 658 B14R2.31359 CC(=O)C1COCc2ccccc21 Amb25121584 [0,0,0,1,0,0|2,0,0]=3 659 B14R2.31359 CC(=O)C1NCCc2ccccc21 Amb25843581 [0,0,0,1,0,0|2,0,0]=3 660 B14R2.31359 CC(=O)C1OCCc2c1cccc2 Amb17594476 [0,0,0,1,0,0|2,0,0]=3 661 B14R2.31359 CC(=O)N1CCCc2[n]cccc12 Amb25100904 [0,0,0,1,0,0|2,0,0]=3 662 B14R2.31359 CC(=O)N1CCNc2ccc[n]c12 Amb18196089 [0,0,0,1,0,0|3,0,0]=4 663 B14R2.31359 CC(=O)N1CCOc2[n]cccc12 Amb25847441 [0,0,0,1,0,0|3,0,0]=4 664 B14R2.31359 CC(=O)N1CCOc2c1cccc2 Amb17593003 [0,0,0,1,0,0|2,0,0]=3 665 B14R2.31359 CC(=O)N1CCOc2ccc[n]c12 Amb25815273 [0,0,0,1,0,0|3,0,0]=4 666 B14R2.31359 CC(Cl)C1CCCc2ccccc21 Amb25206841 [0,0,0,1,0,0|2,0,1]=4 667 B14R2.31359 CN(C)C1CCCc2ccccc21 Amb25120701 [0,0,0,1,0,0|3,0,0]=4 668 B14R2.31359 CS(=O)N1CCNc2ccccc12 Amb24665568 [0,0,0,1,0,0|3,0,0]=4 669 B14R2.31359 C[C@H](O)C1CCCc2ccccc21 Amb25066923 [0,0,0,1,0,0|1,0,2]=4 670 B14R2.31359 ClC(=O)N1CCCc2c1cccc2 Amb17563101 [0,0,0,1,0,0|2,0,0]=3 671 B14R2.31359 NC(=N)C1CCCc2ccccc21 Amb20667628 [0,0,0,1,0,0|3,0,0]=4 672 B14R2.31359 NC(=N)C1CCCc2ccccc21 Amb22059226 [0,0,0,1,0,0|3,0,0]=4 673 B14R2.31359 NC(=O)C1CCCc2ccc[n]c21 Amb25256892 [0,0,0,1,0,0|3,0,0]=4 674 B14R2.31359 NC(=O)C1CCNc2ccccc21 Amb22059639 [0,0,0,1,0,0|3,0,0]=4 675 B14R2.31359 NC(=O)C1CNCc2ccccc21 Amb25849864 [0,0,0,1,0,0|3,0,0]=4 676 B14R2.31359 NC(=O)C1NCCc2ccccc21 Amb18946033 [0,0,0,1,0,0|3,0,0]=4 677 B14R2.31359 NC(=O)C1OCCc2ccccc21 Amb18180638 [0,0,0,1,0,0|3,0,0]=4 678 B14R2.31359 NC(=O)N1CCCc2c1cccc2 Amb1126930 [0,0,0,1,0,0|2,0,0]=3 679 B14R2.31359 NC(=S)N1CCCc2c1cccc2 Amb1135602 [0,0,0,1,0,0|2,1,0]=4 680 B14R2.31359 NC(=S)[C@H]1CCCc2ccccc21 Amb24655735 [0,0,0,1,0,0|2,1,0]=4 681 B14R2.31359 O=C(Cl)C1=CCCc2ccccc21 Amb25793463 [0,0,0,1,0,0|2,0,1]=4 682 B14R2.31359 O=C(Cl)C1CCCc2ccccc21 Amb18324831 [0,0,0,1,0,0|2,0,0]=3 683 B14R2.31359 O=C(Cl)C1COCc2ccccc21 Amb25335278 [0,0,0,1,0,0|3,0,0]=4 684 B14R2.31359 O=C(Cl)C1OCCc2ccccc21 Amb24571154 [0,0,0,1,0,0|3,0,0]=4 685 B14R2.31359 O=C(Cl)C1SCCc2ccccc21 Amb24531746 [0,0,0,1,0,0|3,0,0]=4 686 B14R2.31359 OC(=O)C1=CCCc2c1cccc2 Amb17232997 [0,0,0,1,0,0|2,0,1]=4 687 B14R2.31359 OC(=O)C1CCCc2[n]cccc21 Amb24443964 [0,0,0,1,0,0|3,0,0]=4 688 B14R2.31359 OC(=O)C1CCNc2c1cccc2 Amb10603353 [0,0,0,1,0,0|3,0,0]=4 689 B14R2.31359 OC(=O)C1CCNc2ccccc21 Amb21857054 [0,0,0,1,0,0|3,0,0]=4 690 B14R2.31359 OC(=O)C1CCOc2c1cccc2 Amb13952834 [0,0,0,1,0,0|3,0,0]=4 691 B14R2.31359 OC(=O)C1CCSc2ccccc21 Amb18651956 [0,0,0,1,0,0|3,0,0]=4 692 B14R2.31359 OC(=O)C1CNCc2c1cccc2 Amb2372591 [0,0,0,1,0,0|3,0,0]=4 693 B14R2.31359 OC(=O)C1CNCc2ccccc21 Amb22751637 [0,0,0,1,0,0|3,0,0]=4 694 B14R2.31359 OC(=O)C1NCCc2c1cccc2 Amb1034897 [0,0,0,1,0,0|3,0,0]=4 695 B14R2.31359 OC(=O)C1NCCc2ccccc21 Amb22492442 [0,0,0,1,0,0|3,0,0]=4 696 B14R2.31359 OC(=O)C1OCCc2c1cccc2 Amb2372592 [0,0,0,1,0,0|3,0,0]=4 697 B14R2.31359 OC(=O)C1SCCc2ccccc21 Amb19148991 [0,0,0,1,0,0|3,0,0]=4 698 B14R2.31359 OC(=O)[C@@H]1CCNc2ccccc21 Amb24489311 [0,0,0,1,0,0|3,0,0]=4 699 B14R2.31359 OC(=O)[C@@H]1OCCc2ccccc21 Amb24442964 [0,0,0,1,0,0|3,0,0]=4 700 B14R2.31359 OC(=O)[C@H]1CCCc2ccccc12 Amb17672002 [0,0,0,1,0,0|2,0,0]=3 701 B14R2.31359 [O-][N+](=O)C1CCCc2ccccc21 Amb24359033 [0,0,0,1,0,0|3,0,0]=4 702 B14R2.31359 [O-][N+](=O)N1CCCc2ccccc12 Amb25777130 [0,0,0,1,0,0|3,0,0]=4 703 B12R1.252 BrC(=C)CNCc1ccccc1 Amb1774594 [0,0,0,0,1,0|2,0,1]=4 704 B12R1.252 C=C(Br)COCc1ccccc1 Amb25305709 [0,0,0,0,1,0|2,0,1]=4 705 B12R1.252 C=C(Cl)CNCc1ccccc1 Amb19004833 [0,0,0,0,1,0|2,0,1]=4 706 B12R1.252 C=C(F)CNCc1ccccc1 Amb25060778 [0,0,0,0,1,0|2,0,1]=4 707 B12R1.252 CC(=C)CCNc1cccc[n]1 Amb25273311 [0,0,0,0,1,0|3,0,0]=4 708 B12R1.252 CC(=C)CCNc1ccccc1 Amb25771824 [0,0,0,0,1,0|2,0,0]=3 709 B12R1.252 CC(=C)CNCc1ccccc1 Amb10608684 [0,0,0,0,1,0|2,0,0]=3 710 B12R1.252 CC(=C)CNCc1ccccc1 Amb17622487 [0,0,0,0,1,0|2,0,0]=3 711 B12R1.252 CC(=N)NCCc1cc[n]cc1 Amb25148471 [0,0,0,0,1,0|3,0,0]=4 712 B12R1.252 CC(=N)NCCc1ccc[n]c1 Amb25148470 [0,0,0,0,1,0|3,0,0]=4 713 B12R1.252 CC(=N)NCCc1cccc[n]1 Amb25051604 [0,0,0,0,1,0|3,0,0]=4 714 B12R1.252 CC(=N)NCCc1ccccc1 Amb25148437 [0,0,0,0,1,0|2,0,0]=3 715 B12R1.252 CC(=O)C#CSc1ccccc1 Amb25767013 [0,0,0,0,1,0|1,0,2]=4 716 B12R1.252 CC(=O)CCCc1cccc[n]1 Amb22284162 [0,0,0,0,1,0|1,0,0]=2 717 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,1,0|1,0,0]=2 718 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,1,0|1,0,0]=2 719 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,1,0|0,0,2]=3 720 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,1,0|1,0,1]=3 721 B12R1.252 CC(=O)NCCc1c[n]cc[n]1 Amb25277212 [0,0,0,0,1,0|3,0,0]=4 722 B12R1.252 CC(=O)NCCc1cccc[n]1 Amb22751848 [0,0,0,0,1,0|2,0,0]=3 723 B12R1.252 CC(=O)NCCc1ccncc1 Amb1066478 [0,0,0,0,1,0|2,0,0]=3 724 B12R1.252 CC(=O)NOCc1ccc[n]c1 Amb24420633 [0,0,0,0,1,0|3,0,0]=4 725 B12R1.252 CC(=O)NOCc1cccc[n]1 Amb25077790 [0,0,0,0,1,0|3,0,0]=4 726 B12R1.252 CC(=O)NOCc1ccccc1 Amb10571914 [0,0,0,0,1,0|2,0,0]=3 727 B12R1.252 CC(=O)OCOc1cccc[n]1 Amb24100497 [0,0,0,0,1,0|2,0,0]=3 728 B12R1.252 CC(=O)O[Hg]Cc1ccccc1 Amb22347638 [0,0,0,0,1,0|1,0,0]=2 729 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,1,0|0,0,2]=3 730 B12R1.252 CC(=O)SCCc1ccccn1 Amb17619708 [0,0,0,0,1,0|1,1,0]=3 731 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb10565265 [0,0,0,0,1,0|1,0,2]=4 732 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb25735703 [0,0,0,0,1,0|1,0,2]=4 733 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb25179518 [0,0,0,0,1,0|0,0,2]=3 734 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,1,0|1,0,2]=4 735 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb25179665 [0,0,0,0,1,0|1,0,2]=4 736 B12R1.252 CC(=O)\C=N/Nc1ccccc1 Amb11012875 [0,0,0,0,1,0|2,0,1]=4 737 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,1,0|2,0,1]=4 738 B12R1.252 CC(Br)CCSc1ccccc1 Amb20623511 [0,0,0,0,1,0|2,0,1]=4 739 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [0,0,0,0,1,0|1,0,1]=3 740 B12R1.252 CC(C)=NNCc1ccccc1 Amb24421246 [0,0,0,0,1,0|3,0,0]=4 741 B12R1.252 CC(C)CCCc1ccccc1 Amb24063684 [0,0,0,0,1,0|1,0,1]=3 742 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [0,0,0,0,1,0|2,0,1]=4 743 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [0,0,0,0,1,0|2,0,1]=4 744 B12R1.252 CC(C)ONCc1ccccc1 Amb24408832 [0,0,0,0,1,0|2,0,1]=4 745 B12R1.252 CC(CCCc1ccccc1)Cl Amb17477428 [0,0,0,0,1,0|1,0,1]=3 746 B12R1.252 CC(CCCc1ccccc1)O Amb17138575 [0,0,0,0,1,0|0,0,2]=3 747 B12R1.252 CC(CCCc1ccccn1)C Amb10573555 [0,0,0,0,1,0|2,0,1]=4 748 B12R1.252 CC(CCCc1cccnc1)N Amb17232504 [0,0,0,0,1,0|2,0,1]=4 749 B12R1.252 CC(CCSc1ccccc1)N Amb13881552 [0,0,0,0,1,0|2,0,1]=4 750 B12R1.252 CC(COCc1ccccc1)N Amb1124568 [0,0,0,0,1,0|2,0,1]=4 751 B12R1.252 CC(Cl)COCc1ccccc1 Amb25059141 [0,0,0,0,1,0|2,0,1]=4 752 B12R1.252 CC(F)CCCc1ccccc1 Amb22229780 [0,0,0,0,1,0|1,0,1]=3 753 B12R1.252 CC(F)CNCc1ccccc1 Amb25795376 [0,0,0,0,1,0|2,0,1]=4 754 B12R1.252 CC(I)CCCc1ccccc1 Amb22274883 [0,0,0,0,1,0|1,0,1]=3 755 B12R1.252 CC(N)CCNc1ccccc1 Amb19009675 [0,0,0,0,1,0|2,0,1]=4 756 B12R1.252 CC(N)CNCc1ccccc1 Amb18305296 [0,0,0,0,1,0|2,0,1]=4 757 B12R1.252 CC(NCCc1ccccc1)C Amb2111109 [0,0,0,0,1,0|2,0,1]=4 758 B12R1.252 CC(O)CCCc1c[n]ccc1 Amb22292250 [0,0,0,0,1,0|1,0,2]=4 759 B12R1.252 CC(O)CCNc1ccccc1 Amb25376877 [0,0,0,0,1,0|1,0,2]=4 760 B12R1.252 CC(OCCc1ccccn1)C Amb10573511 [0,0,0,0,1,0|2,0,1]=4 761 B12R1.252 CC(S)CNCc1ccccc1 Amb18648551 [0,0,0,0,1,0|1,1,1]=4 762 B12R1.252 CN(C)CCOc1ccccc1 Amb22499767 [0,0,0,0,1,0|3,0,0]=4 763 B12R1.252 CN(CCCc1ccccc1)C Amb1085936 [0,0,0,0,1,0|2,0,0]=3 764 B12R1.252 CN(N)CCNc1ccccc1 Amb18646399 [0,0,0,0,1,0|3,0,0]=4 765 B12R1.252 CN(N)CCOc1ccccc1 Amb18563757 [0,0,0,0,1,0|3,0,0]=4 766 B12R1.252 CS(=O)CCNc1cccc[n]1 Amb24691238 [0,0,0,0,1,0|3,0,0]=4 767 B12R1.252 CS(=O)CCNc1ccccc1 Amb24562694 [0,0,0,0,1,0|2,0,0]=3 768 B12R1.252 CS(=O)NOCc1ccccc1 Amb24620390 [0,0,0,0,1,0|3,0,0]=4 769 B12R1.252 C[C@@H](COCc1ccccc1)N Amb17061656 [0,0,0,0,1,0|2,0,1]=4 770 B12R1.252 C[C@@H](N)CCCc1c[n]ccc1 Amb22388607 [0,0,0,0,1,0|2,0,1]=4 771 B12R1.252 C[C@@H](N)COCc1ccccc1 Amb18529657 [0,0,0,0,1,0|2,0,1]=4 772 B12R1.252 C[C@@H](O)CNCc1ccccc1 Amb25708513 [0,0,0,0,1,0|1,0,2]=4 773 B12R1.252 C[C@@H](O)COCc1ccccc1 Amb22169747 [0,0,0,0,1,0|1,0,2]=4 774 B12R1.252 C[C@H](N)CNCc1ccccc1 Amb25047295 [0,0,0,0,1,0|2,0,1]=4 775 B12R1.252 C[C@H](O)COCc1ccccc1 Amb22044890 [0,0,0,0,1,0|1,0,2]=4 776 B12R1.252 C[SiH](C)CCCc1ccccc1 Amb22366558 [0,0,0,0,1,0|1,1,0]=3 777 B12R1.252 ClC(=O)CCSc1ccccc1 Amb10064363 [0,0,0,0,1,0|2,0,0]=3 778 B12R1.252 Cl[SiH](Cl)CCCc1ccccc1 Amb22232507 [0,0,0,0,1,0|2,1,0]=4 779 B12R1.252 NC(=N)CCCc1cc[n]cc1 Amb24083112 [0,0,0,0,1,0|3,0,0]=4 780 B12R1.252 NC(=N)CCCc1ccc[n]c1 Amb24062322 [0,0,0,0,1,0|3,0,0]=4 781 B12R1.252 NC(=N)CCCc1cccc[n]1 Amb21618753 [0,0,0,0,1,0|3,0,0]=4 782 B12R1.252 NC(=N)CNCc1ccccc1 Amb25031584 [0,0,0,0,1,0|3,0,0]=4 783 B12R1.252 NC(=N)NCCc1ccccc1 Amb22736089 [0,0,0,0,1,0|3,0,0]=4 784 B12R1.252 NC(=N)NCCc1ccccc1 Amb22736599 [0,0,0,0,1,0|3,0,0]=4 785 B12R1.252 NC(=N)SCCc1ccccc1 Amb20675983 [0,0,0,0,1,0|2,1,0]=4 786 B12R1.252 NC(=O)CCNc1ccc[n]c1 Amb25241565 [0,0,0,0,1,0|3,0,0]=4 787 B12R1.252 NC(=O)CNCc1cccnc1 Amb10609111 [0,0,0,0,1,0|3,0,0]=4 788 B12R1.252 NC(=O)CNCc1cccnc1 Amb1113716 [0,0,0,0,1,0|3,0,0]=4 789 B12R1.252 NC(=O)CNCc1ccncc1 Amb1116176 [0,0,0,0,1,0|3,0,0]=4 790 B12R1.252 NC(=O)C\C=C\c1ccccc1 Amb24470049 [0,0,0,0,1,0|1,0,2]=4 791 B12R1.252 NC(=O)C\N=C\c1ccccc1 Amb24485689 [0,0,0,0,1,0|2,0,1]=4 792 B12R1.252 NC(=O)NCCc1ccc[n]c1 Amb19515015 [0,0,0,0,1,0|3,0,0]=4 793 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,0,0,0,1,0|2,0,0]=3 794 B12R1.252 NC(=O)NCCc1ccncc1 Amb10553043 [0,0,0,0,1,0|3,0,0]=4 795 B12R1.252 NC(=O)NNCc1ccccc1 Amb24063820 [0,0,0,0,1,0|3,0,0]=4 796 B12R1.252 NC(=O)NOCc1ccccc1 Amb1199324 [0,0,0,0,1,0|3,0,0]=4 797 B12R1.252 NC(=O)\C=C\Cc1ccccc1 Amb25148586 [0,0,0,0,1,0|1,0,2]=4 798 B12R1.252 NC(=S)CCNc1ccccc1 Amb17233757 [0,0,0,0,1,0|2,1,0]=4 799 B12R1.252 NC(=S)CCSc1ccccc1 Amb17307558 [0,0,0,0,1,0|2,1,0]=4 800 B12R1.252 NC(=S)CNCc1ccccc1 Amb17233758 [0,0,0,0,1,0|2,1,0]=4 801 B12R1.252 NC(=S)NCCc1ccccc1 Amb1647056 [0,0,0,0,1,0|2,1,0]=4 802 B12R1.252 O=C(Cl)CNCc1ccccc1 Amb25040534 [0,0,0,0,1,0|2,0,0]=3 803 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,1,0|1,0,2]=4 804 B12R1.252 O=C(Cl)NCCc1ccccc1 Amb24619690 [0,0,0,0,1,0|2,0,0]=3 805 B12R1.252 OB(O)CCCc1ccccc1 Amb21928056 [0,0,0,0,1,0|2,0,1]=4 806 B12R1.252 OC(=O)CC#Cc1ccccc1 Amb18296382 [0,0,0,0,1,0|1,0,2]=4 807 B12R1.252 OC(=O)CCC[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22056045 [0,0,0,0,1,0|1,0,0]=2 808 B12R1.252 OC(=O)CCCc1[n]ccc[n]1 Amb18862661 [0,0,0,0,1,0|3,0,0]=4 809 B12R1.252 OC(=O)CCCc1c[n]c[n]c1 Amb18827885 [0,0,0,0,1,0|3,0,0]=4 810 B12R1.252 OC(=O)CCCc1cc[n]cc1 Amb19929548 [0,0,0,0,1,0|2,0,0]=3 811 B12R1.252 OC(=O)CCCc1cccc[n]1 Amb19356883 [0,0,0,0,1,0|2,0,0]=3 812 B12R1.252 OC(=O)CCCc1ccccc1 Amb2388283 [0,0,0,0,1,0|1,0,0]=2 813 B12R1.252 OC(=O)CCCc1ccccn1 Amb1099328 [0,0,0,0,1,0|2,0,0]=3 814 B12R1.252 OC(=O)CCCc1cccnc1 Amb17232526 [0,0,0,0,1,0|2,0,0]=3 815 B12R1.252 OC(=O)CCCc1ccncc1 Amb1099336 [0,0,0,0,1,0|2,0,0]=3 816 B12R1.252 OC(=O)CCNc1ccc[n]c1 Amb18269696 [0,0,0,0,1,0|3,0,0]=4 817 B12R1.252 OC(=O)CCNc1ccccc1 Amb1207377 [0,0,0,0,1,0|2,0,0]=3 818 B12R1.252 OC(=O)CCNc1ccccn1 Amb10609119 [0,0,0,0,1,0|3,0,0]=4 819 B12R1.252 OC(=O)CCOc1ccccc1 Amb1206804 [0,0,0,0,1,0|2,0,0]=3 820 B12R1.252 OC(=O)CCSc1ccccc1 Amb1036581 [0,0,0,0,1,0|2,0,0]=3 821 B12R1.252 OC(=O)CCSc1ccccn1 Amb1133894 [0,0,0,0,1,0|3,0,0]=4 822 B12R1.252 OC(=O)CNCc1ccccn1 Amb1111426 [0,0,0,0,1,0|3,0,0]=4 823 B12R1.252 OC(=O)CNCc1ccccn1 Amb13951702 [0,0,0,0,1,0|3,0,0]=4 824 B12R1.252 OC(=O)CNCc1cccnc1 Amb1111197 [0,0,0,0,1,0|3,0,0]=4 825 B12R1.252 OC(=O)CNCc1ccncc1 Amb1110916 [0,0,0,0,1,0|3,0,0]=4 826 B12R1.252 OC(=O)CNNc1ccccc1 Amb25258415 [0,0,0,0,1,0|3,0,0]=4 827 B12R1.252 OC(=O)COCc1ccncc1 Amb13883046 [0,0,0,0,1,0|3,0,0]=4 828 B12R1.252 OC(=O)CSCc1ccccn1 Amb1126746 [0,0,0,0,1,0|3,0,0]=4 829 B12R1.252 OC(=O)CSCc1cccnc1 Amb1129471 [0,0,0,0,1,0|3,0,0]=4 830 B12R1.252 OC(=O)CSCc1ccncc1 Amb1134758 [0,0,0,0,1,0|3,0,0]=4 831 B12R1.252 OC(=O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,1,0|2,0,0]=3 832 B12R1.252 OC(=O)C\N=C\c1ccccc1 Amb24627161 [0,0,0,0,1,0|2,0,1]=4 833 B12R1.252 OC(=O)\C=N/Cc1ccccc1 Amb24068312 [0,0,0,0,1,0|2,0,1]=4 834 B12R1.252 [O-]C(=O)CCCc1ccccc1 Amb15690987 [0,0,0,0,1,0|1,0,0]=2 835 B12R1.252 [O-]C(=O)CC[NH2+]c1ccccc1 Amb22499683 [0,0,0,0,1,0|2,0,0]=3 836 B12R1.255 OC(=O)CCCC[n]1cccc1 Amb22495749 [0,0,0,0,1,0|3,0,0]=4 837 B14R1.422 CC(=C)CCNOCc1ccccc1 Amb24575123 [0,0,0,0,0,1|3,0,0]=4 838 B14R1.422 CC(=O)C#CCOCc1ccccc1 Amb25818767 [0,0,0,0,0,1|1,0,1]=3 839 B14R1.422 CC(=O)CCCOCc1ccccc1 Amb19078943 [0,0,0,0,0,1|1,0,0]=2 840 B14R1.422 CC(=O)NCCC#Cc1ccccc1 Amb24072453 [0,0,0,0,0,1|1,0,1]=3 841 B14R1.422 CC(=O)NCCCSc1ccccc1 Amb21792154 [0,0,0,0,0,1|1,0,0]=2 842 B14R1.422 CC(=O)NCCOCc1ccccc1 Amb23166894 [0,0,0,0,0,1|1,0,0]=2 843 B14R1.422 CC(=O)NCC\N=C\c1ccccc1 Amb24073400 [0,0,0,0,0,1|1,0,1]=3 844 B14R1.422 CC(=O)NC\C=C/Cc1ccccc1 Amb24072932 [0,0,0,0,0,1|1,0,1]=3 845 B14R1.422 CC(=O)NNC\C=C/c1ccccc1 Amb24072928 [0,0,0,0,0,1|1,0,2]=4 846 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,0,0,0,1|0,0,0]=1 847 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,0,0,0,1|0,0,0]=1 848 B14R1.422 CC(Br)CCCOCc1ccccc1 Amb25757673 [0,0,0,0,0,1|2,0,1]=4 849 B14R1.422 CC(C)=C=CCNCc1ccccc1 Amb25664127 [0,0,0,0,0,1|2,0,1]=4 850 B14R1.422 CC(C)=C\C=C\CCc1ccccc1 Amb22546753 [0,0,0,0,0,1|2,0,1]=4 851 B14R1.422 CC(C)CCCNCc1ccccc1 Amb19041443 [0,0,0,0,0,1|2,0,1]=4 852 B14R1.422 CC(C)CCOCCc1ccccc1 Amb22732326 [0,0,0,0,0,1|2,0,1]=4 853 B14R1.422 CC(C)CNCCCc1ccccc1 Amb20673698 [0,0,0,0,0,1|2,0,1]=4 854 B14R1.422 CC(C)NCCNCc1ccccc1 Amb19050866 [0,0,0,0,0,1|2,0,1]=4 855 B14R1.422 CC(C)NCCOCc1ccccc1 Amb19079609 [0,0,0,0,0,1|2,0,1]=4 856 B14R1.422 CC(C)OCCNCc1ccccc1 Amb19079556 [0,0,0,0,0,1|1,0,1]=3 857 B14R1.422 CC(C)SCCNCc1ccccc1 Amb24728972 [0,0,0,0,0,1|1,1,1]=4 858 B14R1.422 CC(Cl)CCCNCc1ccccc1 Amb24638816 [0,0,0,0,0,1|2,0,1]=4 859 B14R1.422 CC(Cl)CCCOCc1ccccc1 Amb25824299 [0,0,0,0,0,1|2,0,1]=4 860 B14R1.422 CC(N)CCCNCc1ccccc1 Amb24423758 [0,0,0,0,0,1|2,0,1]=4 861 B14R1.422 CC(N)CCCOCc1ccccc1 Amb19042251 [0,0,0,0,0,1|2,0,1]=4 862 B14R1.422 CC(O)C#CCCCc1ccccc1 Amb24397191 [0,0,0,0,0,1|1,0,2]=4 863 B14R1.422 CC(O)CCCOCc1ccccc1 Amb19042638 [0,0,0,0,0,1|1,0,2]=4 864 B14R1.422 CN(C)CCCCOc1ccccc1 Amb22751049 [0,0,0,0,0,1|3,0,0]=4 865 B14R1.422 CN(C)CCCOCc1ccccc1 Amb25206798 [0,0,0,0,0,1|3,0,0]=4 866 B14R1.422 CN(C)NCCOCc1ccccc1 Amb25709268 [0,0,0,0,0,1|3,0,0]=4 867 B14R1.422 CN(CCCNCc1ccccc1)C Amb2370817 [0,0,0,0,0,1|3,0,0]=4 868 B14R1.422 CN(CCNCCc1ccccc1)C Amb1136705 [0,0,0,0,0,1|3,0,0]=4 869 B14R1.422 CS(=O)CCNOCc1ccccc1 Amb25248431 [0,0,0,0,0,1|3,0,0]=4 870 B14R1.422 ClC(=O)OCCOCc1ccccc1 Amb10844670 [0,0,0,0,0,1|1,0,0]=2 871 B14R1.422 NC(=N)NCCNCc1ccccc1 Amb24415456 [0,0,0,0,0,1|3,0,0]=4 872 B14R1.422 NC(=N)NNCCCc1ccccc1 Amb24064219 [0,0,0,0,0,1|3,0,0]=4 873 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [0,0,0,0,0,1|2,1,0]=4 874 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [0,0,0,0,0,1|2,1,0]=4 875 B14R1.422 NC(=O)CCCNCc1ccccc1 Amb19050609 [0,0,0,0,0,1|2,0,0]=3 876 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [0,0,0,0,0,1|2,0,0]=3 877 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [0,0,0,0,0,1|2,0,0]=3 878 B14R1.422 NC(=O)NCCNCc1ccccc1 Amb18651583 [0,0,0,0,0,1|2,0,0]=3 879 B14R1.422 NC(=O)NCCOCc1ccccc1 Amb25059842 [0,0,0,0,0,1|2,0,0]=3 880 B14R1.422 NC(=O)N\N=C\CCc1ccccc1 Amb1630644 [0,0,0,0,0,1|2,0,1]=4 881 B14R1.422 NC(=O)\C=C\CNCc1ccccc1 Amb25242587 [0,0,0,0,0,1|2,0,1]=4 882 B14R1.422 NC(=S)NCCOCc1ccccc1 Amb24359957 [0,0,0,0,0,1|2,1,0]=4 883 B14R1.422 O=C(Br)CCCCOc1ccccc1 Amb24062988 [0,0,0,0,0,1|2,0,0]=3 884 B14R1.422 O=C(Cl)CCCOCc1ccccc1 Amb25841722 [0,0,0,0,0,1|2,0,0]=3 885 B14R1.422 OC(=O)C#CCCCc1ccccc1 Amb25729581 [0,0,0,0,0,1|2,0,0]=3 886 B14R1.422 OC(=O)CCCC#Cc1ccccc1 Amb25138666 [0,0,0,0,0,1|2,0,1]=4 887 B14R1.422 OC(=O)CCCCCc1ccccn1 Amb2503929 [0,0,0,0,0,1|3,0,0]=4 888 B14R1.422 OC(=O)CCCNCc1ccccc1 Amb1111090 [0,0,0,0,0,1|2,0,0]=3 889 B14R1.422 OC(=O)CCCNCc1ccccc1 Amb24097641 [0,0,0,0,0,1|2,0,0]=3 890 B14R1.422 OC(=O)CCCNCc1ccccn1 Amb1110760 [0,0,0,0,0,1|3,0,0]=4 891 B14R1.422 OC(=O)CCCNCc1cccnc1 Amb1110505 [0,0,0,0,0,1|3,0,0]=4 892 B14R1.422 OC(=O)CCCNCc1ccncc1 Amb1109734 [0,0,0,0,0,1|3,0,0]=4 893 B14R1.422 OC(=O)CCC\C=C\c1ccccc1 Amb17619337 [0,0,0,0,0,1|2,0,1]=4 894 B14R1.422 OC(=O)CCNCCc1ccccc1 Amb1111405 [0,0,0,0,0,1|2,0,0]=3 895 B14R1.422 OC(=O)CCNCCc1ccccc1 Amb13952728 [0,0,0,0,0,1|2,0,0]=3 896 B14R1.422 OC(=O)CCNNCc1ccccc1 Amb24601133 [0,0,0,0,0,1|3,0,0]=4 897 B14R1.422 OC(=O)COC\C=C\c1ccccc1 Amb19041553 [0,0,0,0,0,1|1,0,2]=4 898 B14R1.422 OC(=O)CSCCCc1ccccc1 Amb1110511 [0,0,0,0,0,1|1,1,0]=3 899 B14R1.422 OC(=O)CSCCOc1ccccc1 Amb2417110 [0,0,0,0,0,1|2,1,0]=4 900 B14R1.422 OC(=O)CSCOCc1ccccc1 Amb24472490 [0,0,0,0,0,1|2,1,0]=4 901 B14R1.422 OC(=O)\C=C\CNCc1ccccc1 Amb25085378 [0,0,0,0,0,1|2,0,1]=4 902 B14R1.422 OC(=O)\C=C\SCCc1ccccc1 Amb22448083 [0,0,0,0,0,1|2,0,1]=4 903 B14R1.422 OS(=O)CCCOCc1ccccc1 Amb24551340 [0,0,0,0,0,1|3,0,0]=4 904 B11R1.28 Br[Zn]CCCc1ccccc1 Amb22000503 [2,0,0,0,0,0|2,0,0]=4 905 B11R1.28 C#CCCCc1ccccc1 Amb10071067 [2,0,0,0,0,0|0,0,2]=4 906 B11R1.28 C/C=C/CCc1ccccc1 Amb17940149 [2,0,0,0,0,0|0,0,1]=3 907 B11R1.28 C=CCCCc1ccccc1 Amb24062985 [2,0,0,0,0,0|0,0,1]=3 908 B11R1.28 C=CCOCc1ccccc1 Amb17933917 [2,0,0,0,0,0|1,0,1]=4 909 B11R1.28 C=CCSCc1ccccc1 Amb17799426 [2,0,0,0,0,0|1,0,1]=4 910 B11R1.28 C=NCCNc1ccccc1 Amb24486057 [2,0,0,0,0,0|2,0,0]=4 911 B11R1.28 CC=CCCc1cccc[n]1 Amb24100575 [2,0,0,0,0,0|1,0,1]=4 912 B11R1.28 CC=CCCc1ccccc1 Amb24062987 [2,0,0,0,0,0|0,0,1]=3 913 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [2,0,0,0,0,0|1,0,1]=4 914 B11R1.28 CCCCCc1cccnc1 Amb17672949 [2,0,0,0,0,0|1,0,1]=4 915 B11R1.28 CCCCCc1ccncc1 Amb17672950 [2,0,0,0,0,0|1,0,1]=4 916 B11R1.28 CCCNCc1ccccc1 Amb1105937 [2,0,0,0,0,0|1,0,1]=4 917 B11R1.28 CCNCCc1ccccc1 Amb2119468 [2,0,0,0,0,0|1,0,1]=4 918 B11R1.28 CCOCC[n+]1ccccc1 Amb24762647 [2,0,0,0,0,0|1,0,1]=4 919 B11R1.28 CCOCNc1ccccc1 Amb25856976 [2,0,0,0,0,0|1,0,1]=4 920 B11R1.28 CCOCSc1ccccc1 Amb24762591 [2,0,0,0,0,0|1,0,1]=4 921 B11R1.28 CCONCc1ccccc1 Amb25151184 [2,0,0,0,0,0|1,0,1]=4 922 B11R1.28 CNCCCc1c[n]ccc1 Amb23442716 [2,0,0,0,0,0|2,0,0]=4 923 B11R1.28 CNCCCc1cc[n]cc1 Amb19025185 [2,0,0,0,0,0|2,0,0]=4 924 B11R1.28 CNCCCc1cccc[n]1 Amb18312462 [2,0,0,0,0,0|2,0,0]=4 925 B11R1.28 CNCCCc1ccccc1 Amb21954280 [2,0,0,0,0,0|1,0,0]=3 926 B11R1.28 CNCCOc1ccccc1 Amb1105525 [2,0,0,0,0,0|2,0,0]=4 927 B11R1.28 CNCCSc1ccccc1 Amb10608735 [2,0,0,0,0,0|2,0,0]=4 928 B11R1.28 CNCCSc1ccccc1 Amb17622507 [2,0,0,0,0,0|2,0,0]=4 929 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [2,0,0,0,0,0|0,0,2]=4 930 B11R1.28 COCCCc1c[n]ccc1 Amb25382996 [2,0,0,0,0,0|1,0,0]=3 931 B11R1.28 COCCCc1cc[n]c[n]1 Amb23453461 [2,0,0,0,0,0|2,0,0]=4 932 B11R1.28 COCCCc1cccc[n]1 Amb25383067 [2,0,0,0,0,0|1,0,0]=3 933 B11R1.28 COCCNc1c[n]ccc1 Amb18268638 [2,0,0,0,0,0|2,0,0]=4 934 B11R1.28 COCCOc1c[n]ccc1 Amb25383068 [2,0,0,0,0,0|2,0,0]=4 935 B11R1.28 COCCOc1cc[n]cc1 Amb25383069 [2,0,0,0,0,0|2,0,0]=4 936 B11R1.28 COCCOc1cccc[n]1 Amb24070160 [2,0,0,0,0,0|2,0,0]=4 937 B11R1.28 COCCSc1ccccn1 Amb17760116 [2,0,0,0,0,0|2,0,0]=4 938 B11R1.28 COCNCc1ccccc1 Amb25053350 [2,0,0,0,0,0|1,0,0]=3 939 B11R1.28 CONCCc1cccc[n]1 Amb24763045 [2,0,0,0,0,0|2,0,0]=4 940 B11R1.28 CONCCc1ccccc1 Amb22897018 [2,0,0,0,0,0|1,0,0]=3 941 B11R1.28 CONCOc1ccccc1 Amb24096695 [2,0,0,0,0,0|2,0,0]=4 942 B11R1.28 CSCCCc1cc[n]cc1 Amb25382938 [2,0,0,0,0,0|1,1,0]=4 943 B11R1.28 CSCCCc1ccccc1 Amb25383748 [2,0,0,0,0,0|0,1,0]=3 944 B11R1.28 CSCCNc1ccccc1 Amb17307504 [2,0,0,0,0,0|1,1,0]=4 945 B11R1.28 CSCSCc1ccccc1 Amb25380610 [2,0,0,0,0,0|1,1,0]=4 946 B11R1.28 C\C=C\CCc1cc[n]cc1 Amb25830692 [2,0,0,0,0,0|1,0,1]=4 947 B11R1.28 C\C=N\OCc1ccccc1 Amb24334870 [2,0,0,0,0,0|2,0,0]=4 948 B11R1.28 Cl[Mg]CCCc1ccccc1 Amb19928784 [2,0,0,0,0,0|2,0,0]=4 949 B11R1.28 ICCCCc1ccccc1 Amb25380384 [2,0,0,0,0,0|1,0,1]=4 950 B11R1.28 NCCCCc1ccccc1 Amb1227740 [2,0,0,0,0,0|1,0,1]=4 951 B11R1.28 NCCCCc1ccccc1 Amb19929939 [2,0,0,0,0,0|1,0,1]=4 952 B11R1.28 NNCCCc1ccccc1 Amb19373221 [2,0,0,0,0,0|2,0,0]=4 953 B11R1.28 NOCCCc1ccccc1 Amb22231356 [2,0,0,0,0,0|1,0,0]=3 954 B11R1.28 NOCCCc1ccccn1 Amb17089546 [2,0,0,0,0,0|2,0,0]=4 955 B11R1.28 NOCCCc1cccnc1 Amb17089547 [2,0,0,0,0,0|2,0,0]=4 956 B11R1.28 NOCCCc1ccncc1 Amb17089548 [2,0,0,0,0,0|2,0,0]=4 957 B11R1.28 NOCCNc1ccccc1 Amb24486573 [2,0,0,0,0,0|2,0,0]=4 958 B11R1.28 NOCCOc1ccccc1 Amb17088287 [2,0,0,0,0,0|2,0,0]=4 959 B11R1.28 NOCCOc1ccccc1 Amb19894640 [2,0,0,0,0,0|2,0,0]=4 960 B11R1.28 NOCOCc1ccccc1 Amb10606697 [2,0,0,0,0,0|2,0,0]=4 961 B11R1.28 O=C=NCCc1ccccc1 Amb2092802 [2,0,0,0,0,0|1,0,1]=4 962 B11R1.28 O=CC#CCc1ccccc1 Amb25189233 [2,0,0,0,0,0|0,0,2]=4 963 B11R1.28 O=CCCCc1[n]ccc[n]1 Amb24061342 [2,0,0,0,0,0|2,0,0]=4 964 B11R1.28 O=CCCCc1c[n]c[n]c1 Amb24063015 [2,0,0,0,0,0|2,0,0]=4 965 B11R1.28 O=CCCCc1c[n]ccc1 Amb24099514 [2,0,0,0,0,0|1,0,0]=3 966 B11R1.28 O=CCCCc1cc[n]c[n]1 Amb24099617 [2,0,0,0,0,0|2,0,0]=4 967 B11R1.28 O=CCCCc1cc[n]cc1 Amb24099515 [2,0,0,0,0,0|1,0,0]=3 968 B11R1.28 O=CCCCc1cccc[n]1 Amb22897023 [2,0,0,0,0,0|1,0,0]=3 969 B11R1.28 O=CCCOc1cccc[n]1 Amb24762999 [2,0,0,0,0,0|2,0,0]=4 970 B11R1.28 O=CCCSc1cccc[n]1 Amb18177861 [2,0,0,0,0,0|2,0,0]=4 971 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [2,0,0,0,0,0|1,0,0]=3 972 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [2,0,0,0,0,0|1,0,0]=3 973 B11R1.28 O=CCONc1ccccc1 Amb24434643 [2,0,0,0,0,0|2,0,0]=4 974 B11R1.28 O=CCSCc1cc[n]cc1 Amb25383559 [2,0,0,0,0,0|2,0,0]=4 975 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [2,0,0,0,0,0|1,0,0]=3 976 B11R1.28 O=CC\C=C\c1ccccc1 Amb18644267 [2,0,0,0,0,0|0,0,2]=4 977 B11R1.28 O=CNCCc1c[n]ccc1 Amb24592209 [2,0,0,0,0,0|2,0,0]=4 978 B11R1.28 O=CNCCc1cc[n]cc1 Amb24371433 [2,0,0,0,0,0|2,0,0]=4 979 B11R1.28 O=CNCCc1ccccc1 Amb10559023 [2,0,0,0,0,0|1,0,0]=3 980 B11R1.28 O=CNCSc1ccccc1 Amb24382608 [2,0,0,0,0,0|2,0,0]=4 981 B11R1.28 O=C\C=C\Cc1ccccc1 Amb18124787 [2,0,0,0,0,0|0,0,2]=4 982 B11R1.28 SCCCCc1ccccc1 Amb17400224 [2,0,0,0,0,0|0,1,1]=4 983 B11R1.28 [NH3+]CCCCc1ccccc1 Amb22733934 [2,0,0,0,0,0|1,0,1]=4 984 B11R1.28 [NH3+]OCCOc1ccccc1 Amb2420800 [2,0,0,0,0,0|2,0,0]=4 985 B13R1.6 CCCCCCc1cccc(c1)Br Amb10808077 [1,1,0,0,0,0|1,0,1]=4 986 B13R1.6 CCOCCOc1cccc(c1)N Amb2095282 [1,1,0,0,0,0|1,0,1]=4 987 B13R1.6 C\C=C\CCNc1cccc(N)c1 Amb24693671 [1,1,0,0,0,0|2,0,0]=4 988 B13R1.6 O=CCCCCc1cccc(Br)c1 Amb18549459 [1,1,0,0,0,0|1,0,0]=3 989 B13R1.9 CCCCCCc1ccc(I)cc1 Amb22043588 [1,1,0,0,0,0|1,0,1]=4 990 B13R1.9 CCOCCOc1ccc(cc1)N Amb2091063 [1,1,0,0,0,0|1,0,1]=4 991 B13R1.9 Cc1ccc(CCCCC=O)cc1 Amb18549429 [1,1,0,0,0,0|1,0,0]=3 992 B13R1.9 Cc1ccc(cc1)NCCNC=O Amb25839761 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.9 O=C=NCCCc1ccc(cc1)Br Amb17089372 [1,1,0,0,0,0|1,0,1]=4 994 B13R1.9 O=C=NCCCc1ccc(cc1)C Amb17089363 [1,1,0,0,0,0|1,0,1]=4 995 B13R1.9 O=C=NCCCc1ccc(cc1)Cl Amb17089371 [1,1,0,0,0,0|1,0,1]=4 996 B13R1.9 O=C=NCCCc1ccc(cc1)F Amb17089370 [1,1,0,0,0,0|1,0,1]=4 997 B13R1.9 O=CCCCCc1ccc(Br)cc1 Amb18050046 [1,1,0,0,0,0|1,0,0]=3 998 B13R1.9 O=CCCCCc1ccc(Cl)cc1 Amb18050047 [1,1,0,0,0,0|1,0,0]=3 999 B13R1.9 O=CCCCCc1ccc(F)cc1 Amb18549430 [1,1,0,0,0,0|1,0,0]=3 1000 B13R1.9 O=CNCCNc1ccc(Cl)cc1 Amb24625770 [1,1,0,0,0,0|2,0,0]=4 1001 B13R1.24 CC#CCCC(O)c1ccccc1 Amb18804027 [1,1,0,0,0,0|1,0,1]=4 1002 B13R1.24 CC=C=CCC(O)c1ccccc1 Amb24533588 [1,1,0,0,0,0|1,0,1]=4 1003 B13R1.24 CCCCC[C@@H](N)c1ccccc1 Amb22288650 [1,1,0,0,0,0|1,0,1]=4 1004 B13R1.28 BrC\C=C\COCc1ccccc1 Amb25180905 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.28 C=CCCCNCc1ccccc1 Amb10569795 [1,1,0,0,0,0|1,0,1]=4 1006 B13R1.28 C=CCCCOCc1ccccc1 Amb25286747 [1,1,0,0,0,0|1,0,1]=4 1007 B13R1.28 C=CCCNCCc1ccccc1 Amb19737352 [1,1,0,0,0,0|1,0,1]=4 1008 B13R1.28 C=CCNCCCc1ccccc1 Amb20673619 [1,1,0,0,0,0|1,0,1]=4 1009 B13R1.28 CC=C=CCNCc1ccccc1 Amb25073248 [1,1,0,0,0,0|1,0,1]=4 1010 B13R1.28 CCCCNCCc1ccccc1 Amb2172322 [1,1,0,0,0,0|1,0,1]=4 1011 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [1,1,0,0,0,0|1,0,1]=4 1012 B13R1.28 CCCNCCCc1ccccc1 Amb20673529 [1,1,0,0,0,0|1,0,1]=4 1013 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [1,1,0,0,0,0|0,0,1]=3 1014 B13R1.28 CCNCCNCc1ccccc1 Amb18809112 [1,1,0,0,0,0|1,0,1]=4 1015 B13R1.28 CCSCCCSc1ccccc1 Amb10669604 [1,1,0,0,0,0|0,1,1]=4 1016 B13R1.28 CCSCCNCc1ccccc1 Amb19064371 [1,1,0,0,0,0|0,1,1]=4 1017 B13R1.28 CNCCCCOc1ccccc1 Amb17309029 [1,1,0,0,0,0|2,0,0]=4 1018 B13R1.28 CNCCCNCc1ccccc1 Amb18186267 [1,1,0,0,0,0|2,0,0]=4 1019 B13R1.28 CNCCCOCc1ccccc1 Amb18186412 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.28 CNCCNCCc1ccccc1 Amb20140448 [1,1,0,0,0,0|2,0,0]=4 1021 B13R1.28 COCCCNCc1ccccc1 Amb2172436 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.28 COCCNCCc1ccccc1 Amb2119876 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.28 CSSCCNCc1ccccc1 Amb24466659 [1,1,0,0,0,0|1,1,0]=4 1024 B13R1.28 C\C=C\CCNCc1ccccc1 Amb10601621 [1,1,0,0,0,0|1,0,0]=3 1025 B13R1.28 C\C=C\CNOCc1ccccc1 Amb25088761 [1,1,0,0,0,0|2,0,0]=4 1026 B13R1.28 ClCCCCCCc1ccccc1 Amb10807864 [1,1,0,0,0,0|1,0,1]=4 1027 B13R1.28 ClC\C=C/COCc1ccccc1 Amb25258321 [1,1,0,0,0,0|2,0,0]=4 1028 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [1,1,0,0,0,0|1,0,1]=4 1029 B13R1.28 NCCCCCCc1ccccc1 Amb17619338 [1,1,0,0,0,0|1,0,1]=4 1030 B13R1.28 NCCNCCCc1ccccc1 Amb17091041 [1,1,0,0,0,0|1,0,1]=4 1031 B13R1.28 NCCOCCOc1ccccc1 Amb10609253 [1,1,0,0,0,0|1,0,1]=4 1032 B13R1.28 O=C=NCCCCc1ccccc1 Amb22270226 [1,1,0,0,0,0|1,0,1]=4 1033 B13R1.28 O=C=NCCCOc1ccccc1 Amb20668029 [1,1,0,0,0,0|1,0,1]=4 1034 B13R1.28 O=C=NCCOCc1ccccc1 Amb25246644 [1,1,0,0,0,0|1,0,1]=4 1035 B13R1.28 O=CC#CCCCc1ccccc1 Amb25731873 [1,1,0,0,0,0|1,0,0]=3 1036 B13R1.28 O=CC#CCOCc1ccccc1 Amb24469322 [1,1,0,0,0,0|1,0,1]=4 1037 B13R1.28 O=CCCCCOc1ccccc1 Amb18790943 [1,1,0,0,0,0|1,0,0]=3 1038 B13R1.28 O=CCOCCCc1ccccc1 Amb18790942 [1,1,0,0,0,0|0,0,0]=2 1039 B13R1.28 O=CCOCOCc1ccccc1 Amb24663078 [1,1,0,0,0,0|1,0,0]=3 1040 B13R1.28 O=CNCCNCc1ccccc1 Amb25066864 [1,1,0,0,0,0|1,0,0]=3 1041 B13R1.28 O=CNCCOCc1ccccc1 Amb24546492 [1,1,0,0,0,0|1,0,0]=3 1042 B13R1.28 O=C\C=C\COCc1ccccc1 Amb18127730 [1,1,0,0,0,0|1,0,1]=4 1043 B13R1.28 OCCOCCOc1ccccc1 Amb18796575 [1,1,0,0,0,0|1,0,1]=4 1044 B13R1.28 OC\C=C\CNCc1ccccc1 Amb18648063 [1,1,0,0,0,0|2,0,0]=4 1045 B13R1.28 [NH3+]CCCCCCc1ccccc1 Amb22729464 [1,1,0,0,0,0|1,0,1]=4 1046 B13R1.42 C=COC(=O)CCc1ccccc1 Amb21858909 [1,1,0,0,0,0|0,0,2]=4 1047 B13R1.42 CC#CC(CCc1ccccc1)O Amb17619341 [1,1,0,0,0,0|1,0,1]=4 1048 B13R1.42 CC#CC(Cl)CCc1ccccc1 Amb25779974 [1,1,0,0,0,0|1,0,1]=4 1049 B13R1.42 CC#C[C@H](O)CCc1ccccc1 Amb25763952 [1,1,0,0,0,0|1,0,1]=4 1050 B13R1.42 CC(CC=O)CCc1ccccc1 Amb21618942 [1,1,0,0,0,0|1,0,0]=3 1051 B13R1.42 CC(CC=O)OCc1ccccc1 Amb18128218 [1,1,0,0,0,0|2,0,0]=4 1052 B13R1.42 CCCC(O)CCc1ccccc1 Amb18796052 [1,1,0,0,0,0|1,0,1]=4 1053 B13R1.42 C[C@@H](CC=O)OCc1ccccc1 Amb24490409 [1,1,0,0,0,0|2,0,0]=4 1054 B13R1.42 C\C=C\C(C)NCc1ccccc1 Amb24355890 [1,1,0,0,0,0|2,0,0]=4 1055 B13R1.42 C\C=C\[C@@H](C)NCc1ccccc1 Amb25350237 [1,1,0,0,0,0|2,0,0]=4 1056 B13R1.42 O=C(CCc1ccccc1)NC=O Amb25267494 [1,1,0,0,0,0|1,0,1]=4 1057 B13R1.44 CC#CCC(N)Cc1ccccc1 Amb18183777 [1,1,0,0,0,0|1,0,1]=4 1058 B13R1.44 CC#CCC(O)Cc1ccccc1 Amb18183851 [1,1,0,0,0,0|1,0,1]=4 1059 B13R1.44 CN(Cc1ccccc1)CCC=O Amb18178416 [1,1,0,0,0,0|2,0,0]=4 1060 B13R1.555 CCNCCCc1ccccc1Cl Amb18331009 [1,1,0,0,0,0|1,0,1]=4 1061 B13R1.555 CCOCCOc1ccccc1N Amb2111920 [1,1,0,0,0,0|1,0,1]=4 1062 B13R1.718 CC(COCc1ccccc1)C=O Amb18128219 [1,1,0,0,0,0|2,0,0]=4 1063 B13R1.718 CCC(=O)CCCc1ccccc1 Amb17138784 [1,1,0,0,0,0|1,0,1]=4 1064 B13R1.718 C[C@H](COCc1ccccc1)C=O Amb25780652 [1,1,0,0,0,0|2,0,0]=4 1065 B13R1.718 C\C(\CNCc1ccccc1)=C/C Amb18127531 [1,1,0,0,0,0|2,0,0]=4 1066 B13R1.718 C\C(\CNCc1ccccc1)=C\C Amb24414647 [1,1,0,0,0,0|2,0,0]=4 1067 B13R1.718 O=CC(Cl)COCc1ccccc1 Amb25717136 [1,1,0,0,0,0|2,0,0]=4 1068 B13R1.718 O=C[C@@H](F)COCc1ccccc1 Amb25123937 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.718 OC(COCc1ccccc1)C=O Amb25034150 [1,1,0,0,0,0|2,0,0]=4 1070 B13R1.45 CC(=CCC(C)=O)c1ccccc1 Amb24090254 [0,1,0,0,1,0|0,0,2]=4 1071 B13R1.45 CC(=O)C=CC(C)c1ccccc1 Amb24090253 [0,1,0,0,1,0|0,0,2]=4 1072 B13R1.45 CC(=O)CCC(c1ccccn1)Cl Amb17402226 [0,1,0,0,1,0|1,0,0]=3 1073 B13R1.45 CC(=O)CCC(c1cccnc1)Cl Amb17402227 [0,1,0,0,1,0|1,0,0]=3 1074 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [0,1,0,0,1,0|1,0,1]=4 1075 B13R1.45 CC(=O)NCC(C)c1cc[n]cc1 Amb25167442 [0,1,0,0,1,0|2,0,0]=4 1076 B13R1.45 CC(=O)NCC(O)c1ccc[n]c1 Amb25091917 [0,1,0,0,1,0|2,0,0]=4 1077 B13R1.45 CC(=O)NC[C@@H](C)c1ccccc1 Amb25311245 [0,1,0,0,1,0|1,0,0]=3 1078 B13R1.45 CC(=O)NC[C@@H](O)c1ccccc1 Amb24435357 [0,1,0,0,1,0|1,0,0]=3 1079 B13R1.45 CC(=O)NC[C@H](N)c1ccccc1 Amb25752007 [0,1,0,0,1,0|1,0,0]=3 1080 B13R1.45 CC(=O)NNC(C)c1ccccc1 Amb24573888 [0,1,0,0,1,0|2,0,0]=4 1081 B13R1.45 CC(=O)O/C=C(\C)c1ccccc1 Amb17778975 [0,1,0,0,1,0|0,0,2]=4 1082 B13R1.45 CC(=O)OCC(=C)c1ccccc1 Amb17778927 [0,1,0,0,1,0|0,0,1]=3 1083 B13R1.45 CC(=O)ONC(=O)c1ccccc1 Amb24106396 [0,1,0,0,1,0|1,0,1]=4 1084 B13R1.45 CC(=O)OOC(=O)c1ccccc1 Amb17672876 [0,1,0,0,1,0|1,0,1]=4 1085 B13R1.45 CC(=O)\C=C\C(C)c1ccccc1 Amb25292084 [0,1,0,0,1,0|0,0,2]=4 1086 B13R1.45 CC(=O)\C=C\C(O)c1ccccc1 Amb25318863 [0,1,0,0,1,0|0,0,2]=4 1087 B13R1.45 CC(=O)\C=C\[C@H](C)c1ccccc1 Amb25059669 [0,1,0,0,1,0|0,0,2]=4 1088 B13R1.45 CC(C)=CC[C@@H](N)c1ccccc1 Amb25188074 [0,1,0,0,1,0|1,0,1]=4 1089 B13R1.45 CC(C)=NCC(O)c1ccccc1 Amb25670758 [0,1,0,0,1,0|2,0,0]=4 1090 B13R1.45 CC(CNC(N)=O)c1ccccc1 Amb25156032 [0,1,0,0,1,0|2,0,0]=4 1091 B13R1.45 CC(SCC(O)=O)c1ccccc1 Amb22275729 [0,1,0,0,1,0|2,0,0]=4 1092 B13R1.45 CC(c1ccccc1)NCC(=O)N Amb1114995 [0,1,0,0,1,0|2,0,0]=4 1093 B13R1.45 CN(C)CCC(Cl)c1ccccc1 Amb22754498 [0,1,0,0,1,0|2,0,0]=4 1094 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 Amb24181885 [0,1,0,0,1,0|2,0,0]=4 1095 B13R1.45 CN(CCC(O)=O)c1ccccc1 Amb19373406 [0,1,0,0,1,0|2,0,0]=4 1096 B13R1.45 CN(c1ccccc1)CCC(=O)Cl Amb17143181 [0,1,0,0,1,0|2,0,0]=4 1097 B13R1.45 CN(c1ccccc1)CCC(=O)N Amb17142975 [0,1,0,0,1,0|2,0,0]=4 1098 B13R1.45 C[C@@H](NCC(N)=O)c1ccccc1 Amb24271280 [0,1,0,0,1,0|2,0,0]=4 1099 B13R1.45 C[C@@H](NCC(O)=O)c1ccccc1 Amb17935709 [0,1,0,0,1,0|2,0,0]=4 1100 B13R1.45 C[C@H](NCC(O)=O)c1ccccc1 Amb17935708 [0,1,0,0,1,0|2,0,0]=4 1101 B13R1.45 C\C(=C\CC(C)=O)\c1ccccc1 Amb24392921 [0,1,0,0,1,0|0,0,2]=4 1102 B13R1.45 C\C(=C\OC(C)=O)\c1ccccc1 Amb25290986 [0,1,0,0,1,0|0,0,2]=4 1103 B13R1.45 C\C(=N\OC(=O)C)\c1ccccc1 Amb1014467 [0,1,0,0,1,0|1,0,1]=4 1104 B13R1.45 C\C(\Cl)=C\CC(O)c1ccccc1 Amb24752308 [0,1,0,0,1,0|1,0,1]=4 1105 B13R1.45 ClC(c1ccccc1)CCC(=O)C Amb17402167 [0,1,0,0,1,0|0,0,0]=2 1106 B13R1.45 ClC(c1ccncc1)CCC(=O)C Amb17402228 [0,1,0,0,1,0|1,0,0]=3 1107 B13R1.45 NC(=O)CCC(c1ccccn1)O Amb17335401 [0,1,0,0,1,0|2,0,0]=4 1108 B13R1.45 NC(=O)CCC(c1cccnc1)O Amb17335403 [0,1,0,0,1,0|2,0,0]=4 1109 B13R1.45 NC(CCC(O)=O)c1ccccc1 Amb19514853 [0,1,0,0,1,0|1,0,0]=3 1110 B13R1.45 NC(c1ccccc1)CCN(C)C Amb13949100 [0,1,0,0,1,0|2,0,0]=4 1111 B13R1.45 NN(CCC(O)=O)c1ccccc1 Amb19861024 [0,1,0,0,1,0|2,0,0]=4 1112 B13R1.45 N[C@@H](CCC(O)=O)c1ccccc1 Amb22745911 [0,1,0,0,1,0|1,0,0]=3 1113 B13R1.45 N[C@@H](CCC(O)=O)c1ccccc1 Amb23399581 [0,1,0,0,1,0|1,0,0]=3 1114 B13R1.45 N[C@@H](c1ccccc1)COC(C)C Amb17061653 [0,1,0,0,1,0|1,0,1]=4 1115 B13R1.45 N\C(=N\OC(=O)C)\c1ccccc1 Amb2228036 [0,1,0,0,1,0|1,0,1]=4 1116 B13R1.45 O=C(c1ccccc1)CCC(=O)N Amb17233256 [0,1,0,0,1,0|1,0,1]=4 1117 B13R1.45 O=C(c1ccccc1)CCC(=O)O Amb1224638 [0,1,0,0,1,0|1,0,1]=4 1118 B13R1.45 O=C(c1ccccc1)CNC(=O)C Amb17335159 [0,1,0,0,1,0|1,0,1]=4 1119 B13R1.45 OC(=O)CCC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22054406 [0,1,0,0,1,0|1,0,1]=4 1120 B13R1.45 OC(=O)CCC(O)c1c[n]ccc1 Amb18805211 [0,1,0,0,1,0|2,0,0]=4 1121 B13R1.45 OC(=O)CCC(O)c1cc[n]cc1 Amb18193342 [0,1,0,0,1,0|2,0,0]=4 1122 B13R1.45 OC(=O)CCC(O)c1cccc[n]1 Amb18824244 [0,1,0,0,1,0|2,0,0]=4 1123 B13R1.45 OC(c1ccccc1)CCC(=O)N Amb17335290 [0,1,0,0,1,0|1,0,0]=3 1124 B13R1.45 OC(c1ccccc1)COC(=O)N Amb17594650 [0,1,0,0,1,0|1,0,0]=3 1125 B13R1.45 OC(c1ccncc1)CCC(=O)N Amb17335405 [0,1,0,0,1,0|2,0,0]=4 1126 B13R1.45 [O-]C(=O)CCC(c1cccnc1)O Amb17619701 [0,1,0,0,1,0|2,0,0]=4 1127 B13R1.45 [O-]C(=O)CC[13CH](O)[13c]1[13cH][n][13cH][13cH][13cH]1 Amb22056115 [0,1,0,0,1,0|2,0,0]=4 1128 B13R1.149 BrC(=C)CCCc1cccc(c1)C Amb13890668 [0,1,0,0,1,0|1,0,1]=4 1129 B13R1.149 BrC(=C)CCCc1cccc(c1)Cl Amb13890656 [0,1,0,0,1,0|1,0,1]=4 1130 B13R1.149 BrC(=C)CCCc1cccc(c1)F Amb13890680 [0,1,0,0,1,0|1,0,1]=4 1131 B13R1.149 CC(=C)CCCc1cccc(c1)C Amb13890669 [0,1,0,0,1,0|1,0,0]=3 1132 B13R1.149 CC(=C)CCCc1cccc(c1)Cl Amb13890657 [0,1,0,0,1,0|1,0,0]=3 1133 B13R1.149 CC(=C)CCCc1cccc(c1)F Amb13890681 [0,1,0,0,1,0|1,0,0]=3 1134 B13R1.149 CC(=C)CCNc1cccc(Br)c1 Amb25047963 [0,1,0,0,1,0|2,0,0]=4 1135 B13R1.149 CC(=C)CCNc1cccc(Cl)c1 Amb24533539 [0,1,0,0,1,0|2,0,0]=4 1136 B13R1.149 CC(=C)CCNc1cccc(F)c1 Amb24705980 [0,1,0,0,1,0|2,0,0]=4 1137 B13R1.149 CC(=C)CNCc1cccc(Br)c1 Amb24768741 [0,1,0,0,1,0|2,0,0]=4 1138 B13R1.149 CC(=N)NCCc1cccc(Br)c1 Amb24339580 [0,1,0,0,1,0|2,0,0]=4 1139 B13R1.149 CC(=O)CCCc1cccc(c1)Br Amb17255477 [0,1,0,0,1,0|0,0,0]=2 1140 B13R1.149 CC(=O)CCCc1cccc(c1)C Amb17233199 [0,1,0,0,1,0|0,0,0]=2 1141 B13R1.149 CC(=O)CCCc1cccc(c1)Cl Amb17236502 [0,1,0,0,1,0|0,0,0]=2 1142 B13R1.149 CC(=O)CCOc1cccc(c1)Cl Amb17139724 [0,1,0,0,1,0|1,0,0]=3 1143 B13R1.149 CC(=O)C\C=C\c1cccc(Cl)c1 Amb25842151 [0,1,0,0,1,0|0,0,2]=4 1144 B13R1.149 CC(=O)C\C=C\c1cccc(F)c1 Amb24731445 [0,1,0,0,1,0|0,0,2]=4 1145 B13R1.149 CC(=O)NCCc1c[n]cc(O)c1 Amb25687749 [0,1,0,0,1,0|2,0,0]=4 1146 B13R1.149 CC(=O)NCCc1cccc(Cl)c1 Amb17791605 [0,1,0,0,1,0|1,0,0]=3 1147 B13R1.149 CC(=O)NCCc1cccc(F)c1 Amb24476175 [0,1,0,0,1,0|1,0,0]=3 1148 B13R1.149 CC(=O)NNCc1cc(N)ccc1 Amb25258036 [0,1,0,0,1,0|2,0,0]=4 1149 B13R1.149 CC(=O)NOCc1cccc(Cl)c1 Amb25687680 [0,1,0,0,1,0|2,0,0]=4 1150 B13R1.149 CC(=O)NOCc1cccc(F)c1 Amb25106612 [0,1,0,0,1,0|2,0,0]=4 1151 B13R1.149 CC(=O)O\N=C\c1cccc(O)c1 Amb24587363 [0,1,0,0,1,0|1,0,1]=4 1152 B13R1.149 CC(C)=CCCc1cc(C)ccc1 Amb22227609 [0,1,0,0,1,0|1,0,1]=4 1153 B13R1.149 CC(CCCc1cccc(c1)Br)N Amb17255966 [0,1,0,0,1,0|1,0,1]=4 1154 B13R1.149 CC(CCCc1cccc(c1)C)N Amb17233314 [0,1,0,0,1,0|1,0,1]=4 1155 B13R1.149 CC(CCCc1cccc(c1)Cl)N Amb17236682 [0,1,0,0,1,0|1,0,1]=4 1156 B13R1.149 CN(CCCc1cccc(c1)N)C Amb17050706 [0,1,0,0,1,0|2,0,0]=4 1157 B13R1.149 CS(=O)CCNc1cccc(I)c1 Amb24586043 [0,1,0,0,1,0|2,0,0]=4 1158 B13R1.149 CS(=O)CCNc1cccc(N)c1 Amb25073066 [0,1,0,0,1,0|2,0,0]=4 1159 B13R1.149 Cc1cc(CCNC(N)=O)ccc1 Amb18804769 [0,1,0,0,1,0|2,0,0]=4 1160 B13R1.149 Cc1cc(CNCC(O)=O)ccc1 Amb19341149 [0,1,0,0,1,0|2,0,0]=4 1161 B13R1.149 Cc1cccc(c1)NCCC(C)=C Amb25673699 [0,1,0,0,1,0|2,0,0]=4 1162 B13R1.149 Cc1cccc(c1)\C=C\CC(C)=O Amb24760567 [0,1,0,0,1,0|0,0,2]=4 1163 B13R1.149 ClC(=C)CCCc1cccc(c1)C Amb13890667 [0,1,0,0,1,0|1,0,1]=4 1164 B13R1.149 ClC(=C)CCCc1cccc(c1)Cl Amb13890655 [0,1,0,0,1,0|1,0,1]=4 1165 B13R1.149 ClC(=C)CCCc1cccc(c1)F Amb13890679 [0,1,0,0,1,0|1,0,1]=4 1166 B13R1.149 ClC(=O)CCSc1cccc(c1)C Amb17143636 [0,1,0,0,1,0|2,0,0]=4 1167 B13R1.149 NC(=O)CCSc1cccc(c1)C Amb17143163 [0,1,0,0,1,0|2,0,0]=4 1168 B13R1.149 NC(=O)CCSc1cccc(c1)Cl Amb17143659 [0,1,0,0,1,0|2,0,0]=4 1169 B13R1.149 NC(=O)CSCc1cccc(c1)Br Amb1234290 [0,1,0,0,1,0|2,0,0]=4 1170 B13R1.149 NC(=O)NCCc1cccc(Br)c1 Amb24339582 [0,1,0,0,1,0|2,0,0]=4 1171 B13R1.149 NC(=O)NCCc1cccc(Cl)c1 Amb25079869 [0,1,0,0,1,0|2,0,0]=4 1172 B13R1.149 NC(=O)NCCc1cccc(O)c1 Amb24430516 [0,1,0,0,1,0|2,0,0]=4 1173 B13R1.149 Nc1cc(COCC(O)=O)ccc1 Amb23569203 [0,1,0,0,1,0|2,0,0]=4 1174 B13R1.149 Nc1cc(ccc1)SCCC(O)=O Amb19662090 [0,1,0,0,1,0|2,0,0]=4 1175 B13R1.149 Nc1cccc(CCNC(N)=O)c1 Amb25765043 [0,1,0,0,1,0|2,0,0]=4 1176 B13R1.149 Nc1cccc(COCC(N)=O)c1 Amb23569204 [0,1,0,0,1,0|2,0,0]=4 1177 B13R1.149 OC(=O)CCCc1cccc(c1)N Amb10603728 [0,1,0,0,1,0|1,0,0]=3 1178 B13R1.149 OC(=O)CCCc1cccc(c1)N Amb17335328 [0,1,0,0,1,0|1,0,0]=3 1179 B13R1.149 OC(=O)CCCc1cccc(c1)S Amb17616853 [0,1,0,0,1,0|1,0,0]=3 1180 B13R1.149 OC(=O)CCNc1cccc(c1)C Amb2209157 [0,1,0,0,1,0|2,0,0]=4 1181 B13R1.149 OC(=O)CCNc1cccc(c1)Cl Amb2209166 [0,1,0,0,1,0|2,0,0]=4 1182 B13R1.149 OC(=O)CCNc1cccc(c1)F Amb2209162 [0,1,0,0,1,0|2,0,0]=4 1183 B13R1.149 OC(=O)CCOc1cccc(c1)Br Amb15755 [0,1,0,0,1,0|2,0,0]=4 1184 B13R1.149 OC(=O)CCOc1cccc(c1)C Amb1102786 [0,1,0,0,1,0|2,0,0]=4 1185 B13R1.149 OC(=O)CCOc1cccc(c1)Cl Amb1116710 [0,1,0,0,1,0|2,0,0]=4 1186 B13R1.149 OC(=O)CCOc1cccc(c1)F Amb1114548 [0,1,0,0,1,0|2,0,0]=4 1187 B13R1.149 OC(=O)CNCc1cccc(c1)Br Amb1111229 [0,1,0,0,1,0|2,0,0]=4 1188 B13R1.149 OC(=O)CNCc1cccc(c1)C Amb1110883 [0,1,0,0,1,0|2,0,0]=4 1189 B13R1.149 OC(=O)CNCc1cccc(c1)Cl Amb17598410 [0,1,0,0,1,0|2,0,0]=4 1190 B13R1.149 OC(=O)CNCc1cccc(c1)F Amb10609867 [0,1,0,0,1,0|2,0,0]=4 1191 B13R1.149 OC(=O)CNCc1cccc(c1)F Amb2372412 [0,1,0,0,1,0|2,0,0]=4 1192 B13R1.149 OC(=O)COCc1cccc(c1)Br Amb17472946 [0,1,0,0,1,0|2,0,0]=4 1193 B13R1.149 OC(=O)COCc1cccc(c1)C Amb17470624 [0,1,0,0,1,0|2,0,0]=4 1194 B13R1.149 OC(=O)COCc1cccc(c1)Cl Amb17470999 [0,1,0,0,1,0|2,0,0]=4 1195 B13R1.149 OC(=O)CSCc1cccc(c1)Cl Amb1546534 [0,1,0,0,1,0|2,0,0]=4 1196 B13R1.149 OC(=O)CSCc1cccc(c1)F Amb1137816 [0,1,0,0,1,0|2,0,0]=4 1197 B13R1.149 Oc1cccc(CCCC(O)=O)c1 Amb22490497 [0,1,0,0,1,0|1,0,0]=3 1198 B13R1.149 Oc1cccc(c1)OCCC(O)=O Amb18192782 [0,1,0,0,1,0|2,0,0]=4 1199 B13R1.158 BrC(=C)CCCc1ccccc1C Amb13890664 [0,1,0,0,1,0|1,0,1]=4 1200 B13R1.158 CC(=C)CCCc1ccccc1C Amb13890665 [0,1,0,0,1,0|1,0,0]=3 1201 B13R1.158 CC(=C)CCNc1ccccc1Br Amb25161292 [0,1,0,0,1,0|2,0,0]=4 1202 B13R1.158 CC(=C)CCNc1ccccc1F Amb24430251 [0,1,0,0,1,0|2,0,0]=4 1203 B13R1.158 CC(=C)CCNc1ccccc1I Amb24402659 [0,1,0,0,1,0|2,0,0]=4 1204 B13R1.158 CC(=C)CNCc1ccccc1Br Amb24768742 [0,1,0,0,1,0|2,0,0]=4 1205 B13R1.158 CC(=N)NCCc1ccccc1F Amb25316705 [0,1,0,0,1,0|2,0,0]=4 1206 B13R1.158 CC(=O)CCCc1ccccc1C Amb17233198 [0,1,0,0,1,0|0,0,0]=2 1207 B13R1.158 CC(=O)CCCc1ccccc1Cl Amb17236501 [0,1,0,0,1,0|0,0,0]=2 1208 B13R1.158 CC(=O)CCCc1ccccc1F Amb17233676 [0,1,0,0,1,0|0,0,0]=2 1209 B13R1.158 CC(=O)CCOc1ccccc1Cl Amb17139723 [0,1,0,0,1,0|1,0,0]=3 1210 B13R1.158 CC(=O)C\C=C\c1ccccc1Br Amb25155472 [0,1,0,0,1,0|0,0,2]=4 1211 B13R1.158 CC(=O)C\C=C\c1ccccc1Cl Amb25322439 [0,1,0,0,1,0|0,0,2]=4 1212 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,1,0,0,1,0|0,0,2]=4 1213 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,1,0,0,1,0|0,0,2]=4 1214 B13R1.158 CC(=O)C\C=N\c1ccccc1O Amb25373167 [0,1,0,0,1,0|1,0,1]=4 1215 B13R1.158 CC(=O)NCCc1[n]cccc1F Amb25668865 [0,1,0,0,1,0|2,0,0]=4 1216 B13R1.158 CC(=O)NCCc1ccccc1Br Amb13133608 [0,1,0,0,1,0|1,0,0]=3 1217 B13R1.158 CC(=O)NCCc1ccccc1C Amb15740396 [0,1,0,0,1,0|1,0,0]=3 1218 B13R1.158 CC(=O)NCCc1ccccc1Cl Amb25324158 [0,1,0,0,1,0|1,0,0]=3 1219 B13R1.158 CC(=O)NCCc1ccccc1O Amb16982301 [0,1,0,0,1,0|1,0,0]=3 1220 B13R1.158 CC(=O)NOCc1ccccc1F Amb24386771 [0,1,0,0,1,0|2,0,0]=4 1221 B13R1.158 CC(=O)O\C=C\c1ccccc1N Amb24558185 [0,1,0,0,1,0|0,0,2]=4 1222 B13R1.158 CC(=O)O\C=C\c1ccccc1O Amb18128101 [0,1,0,0,1,0|0,0,2]=4 1223 B13R1.158 CC(=O)O\N=C\c1ccccc1O Amb24492564 [0,1,0,0,1,0|1,0,1]=4 1224 B13R1.158 CC(CCCc1ccccc1C)N Amb17233313 [0,1,0,0,1,0|1,0,1]=4 1225 B13R1.158 CC(CCCc1ccccc1Cl)N Amb17236681 [0,1,0,0,1,0|1,0,1]=4 1226 B13R1.158 CC(CCCc1ccccc1F)N Amb17233820 [0,1,0,0,1,0|1,0,1]=4 1227 B13R1.158 CN(CCCc1ccccc1N)C Amb17050681 [0,1,0,0,1,0|2,0,0]=4 1228 B13R1.158 CS(=O)CCNc1ccccc1Br Amb24538957 [0,1,0,0,1,0|2,0,0]=4 1229 B13R1.158 CS(=O)CCNc1ccccc1N Amb25774644 [0,1,0,0,1,0|2,0,0]=4 1230 B13R1.158 Cc1ccccc1CCNC(N)=O Amb25100964 [0,1,0,0,1,0|2,0,0]=4 1231 B13R1.158 Cc1ccccc1CONC(C)=O Amb25792311 [0,1,0,0,1,0|2,0,0]=4 1232 B13R1.158 Cc1ccccc1NCCC(C)=O Amb24664215 [0,1,0,0,1,0|1,0,0]=3 1233 B13R1.158 Cc1ccccc1\C=C/CC(C)=O Amb24492730 [0,1,0,0,1,0|0,0,2]=4 1234 B13R1.158 ClC(=C)CCCc1ccccc1C Amb13890663 [0,1,0,0,1,0|1,0,1]=4 1235 B13R1.158 ClC(=O)CCOc1ccccc1Cl Amb17143748 [0,1,0,0,1,0|2,0,0]=4 1236 B13R1.158 ClC(=O)CCSc1ccccc1Cl Amb17144559 [0,1,0,0,1,0|2,0,0]=4 1237 B13R1.158 NC(=N)CCCc1ccccc1Cl Amb10844870 [0,1,0,0,1,0|2,0,0]=4 1238 B13R1.158 NC(=O)CCCc1ccccc1Cl Amb22552422 [0,1,0,0,1,0|1,0,0]=3 1239 B13R1.158 NC(=O)CCNc1ccccc1N Amb2226251 [0,1,0,0,1,0|2,0,0]=4 1240 B13R1.158 NC(=O)CNCc1ccccc1O Amb1112462 [0,1,0,0,1,0|2,0,0]=4 1241 B13R1.158 NC(=O)NCCc1ccccc1Cl Amb24627934 [0,1,0,0,1,0|2,0,0]=4 1242 B13R1.158 Nc1ccccc1NCCC(N)=O Amb19514743 [0,1,0,0,1,0|2,0,0]=4 1243 B13R1.158 Nc1ccccc1NCCC(O)=O Amb18128679 [0,1,0,0,1,0|2,0,0]=4 1244 B13R1.158 Nc1ccccc1OCCC(O)=O Amb22728037 [0,1,0,0,1,0|2,0,0]=4 1245 B13R1.158 O=C(Cl)CCCc1ccccc1Br Amb22295767 [0,1,0,0,1,0|1,0,0]=3 1246 B13R1.158 OC(=O)CCCN1C=CC=CC1=O Amb18028573 [0,1,0,0,1,0|2,0,0]=4 1247 B13R1.158 OC(=O)CCCc1ccccc1S Amb17616852 [0,1,0,0,1,0|1,0,0]=3 1248 B13R1.158 OC(=O)CCNc1ccccc1Cl Amb2209165 [0,1,0,0,1,0|2,0,0]=4 1249 B13R1.158 OC(=O)CCNc1ccccc1F Amb2209161 [0,1,0,0,1,0|2,0,0]=4 1250 B13R1.158 OC(=O)CCOc1ccccc1Br Amb1117859 [0,1,0,0,1,0|2,0,0]=4 1251 B13R1.158 OC(=O)CCOc1ccccc1C Amb1102807 [0,1,0,0,1,0|2,0,0]=4 1252 B13R1.158 OC(=O)CCOc1ccccc1Cl Amb1112357 [0,1,0,0,1,0|2,0,0]=4 1253 B13R1.158 OC(=O)CCOc1ccccc1F Amb1102819 [0,1,0,0,1,0|2,0,0]=4 1254 B13R1.158 OC(=O)CCSc1ccccc1Br Amb1113939 [0,1,0,0,1,0|2,0,0]=4 1255 B13R1.158 OC(=O)CCSc1ccccc1Cl Amb1102789 [0,1,0,0,1,0|2,0,0]=4 1256 B13R1.158 OC(=O)CCSc1ccccc1N Amb17305640 [0,1,0,0,1,0|2,0,0]=4 1257 B13R1.158 OC(=O)CNCc1ccccc1Br Amb1111282 [0,1,0,0,1,0|2,0,0]=4 1258 B13R1.158 OC(=O)CNCc1ccccc1C Amb10609879 [0,1,0,0,1,0|2,0,0]=4 1259 B13R1.158 OC(=O)CNCc1ccccc1C Amb2372498 [0,1,0,0,1,0|2,0,0]=4 1260 B13R1.158 OC(=O)CNCc1ccccc1I Amb21861671 [0,1,0,0,1,0|2,0,0]=4 1261 B13R1.158 OC(=O)COCc1ccccc1C Amb17470623 [0,1,0,0,1,0|2,0,0]=4 1262 B13R1.158 OC(=O)COCc1ccccc1F Amb17470662 [0,1,0,0,1,0|2,0,0]=4 1263 B13R1.158 OC(=O)CSCc1ccccc1Br Amb2372136 [0,1,0,0,1,0|2,0,0]=4 1264 B13R1.158 OC(=O)CSCc1ccccc1C Amb1125979 [0,1,0,0,1,0|2,0,0]=4 1265 B13R1.158 OC(=O)CSCc1ccccc1Cl Amb1551137 [0,1,0,0,1,0|2,0,0]=4 1266 B13R1.158 OC(=O)CSCc1ccccc1I Amb24089653 [0,1,0,0,1,0|2,0,0]=4 1267 B13R1.158 OC(=O)OCCc1ccccc1Cl Amb24079959 [0,1,0,0,1,0|1,0,0]=3 1268 B13R1.158 Oc1ccccc1NCCC(O)=O Amb24650948 [0,1,0,0,1,0|2,0,0]=4 1269 B13R1.348 CC(=O)/C=C(\C)Cc1ccccc1 Amb17778969 [0,1,0,0,1,0|0,0,2]=4 1270 B13R1.348 CC(=O)C/C(C)=C/c1ccccc1 Amb17778970 [0,1,0,0,1,0|0,0,2]=4 1271 B13R1.348 CC(=O)CC(=O)Cc1cccc[n]1 Amb24076575 [0,1,0,0,1,0|1,0,1]=4 1272 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,1,0,0,1,0|1,0,1]=4 1273 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,1,0,0,1,0|1,0,1]=4 1274 B13R1.348 CC(=O)CN(C)Cc1ccccc1 Amb18808988 [0,1,0,0,1,0|1,0,0]=3 1275 B13R1.348 CC(=O)NC(=O)Cc1ccccc1 Amb24073557 [0,1,0,0,1,0|1,0,1]=4 1276 B13R1.348 CC(=O)NC(=S)Cc1ccccc1 Amb25689518 [0,1,0,0,1,0|1,0,1]=4 1277 B13R1.348 CC(=O)NC(C)Cc1c[n]ccc1 Amb25095297 [0,1,0,0,1,0|2,0,0]=4 1278 B13R1.348 CC(=O)NC(C)Cc1cc[n]cc1 Amb24705489 [0,1,0,0,1,0|2,0,0]=4 1279 B13R1.348 CC(=O)NC(N)Cc1ccccc1 Amb25322191 [0,1,0,0,1,0|1,0,0]=3 1280 B13R1.348 CC(=O)N[C@H](C)Cc1ccccc1 Amb24496665 [0,1,0,0,1,0|1,0,0]=3 1281 B13R1.348 CC(=O)OC(C)Cc1ccccc1 Amb24323251 [0,1,0,0,1,0|0,0,0]=2 1282 B13R1.348 CC(=O)\C=C(\N)/Cc1ccccc1 Amb24739677 [0,1,0,0,1,0|0,0,2]=4 1283 B13R1.348 CC(C)CC(Br)Cc1ccccc1 Amb18049557 [0,1,0,0,1,0|1,0,1]=4 1284 B13R1.348 CC(C)CC(O)Cc1ccccc1 Amb18796054 [0,1,0,0,1,0|1,0,1]=4 1285 B13R1.348 CC(Cc1ccccc1)CC(=O)O Amb17233403 [0,1,0,0,1,0|1,0,0]=3 1286 B13R1.348 CC(Cc1ccccn1)CC(=O)O Amb17335285 [0,1,0,0,1,0|2,0,0]=4 1287 B13R1.348 CC(Cc1cccnc1)CC(=O)O Amb17335287 [0,1,0,0,1,0|2,0,0]=4 1288 B13R1.348 CC(Cc1ccncc1)CC(=O)O Amb17335288 [0,1,0,0,1,0|2,0,0]=4 1289 B13R1.348 CC(Nc1ccccc1)CC(=O)N Amb17233441 [0,1,0,0,1,0|2,0,0]=4 1290 B13R1.348 CC(Oc1ccccc1)CC(=O)N Amb17233539 [0,1,0,0,1,0|2,0,0]=4 1291 B13R1.348 CN(Cc1ccccc1)CC(=O)Cl Amb17143178 [0,1,0,0,1,0|2,0,0]=4 1292 B13R1.348 CN(Cc1ccccc1)CC(=O)N Amb17142972 [0,1,0,0,1,0|2,0,0]=4 1293 B13R1.348 CN(Cc1ccccc1)CC(=O)O Amb10610460 [0,1,0,0,1,0|2,0,0]=4 1294 B13R1.348 C[C@@H](CC(N)=O)Nc1ccccc1 Amb24727147 [0,1,0,0,1,0|2,0,0]=4 1295 B13R1.348 C[C@H](CC(N)=O)Nc1ccccc1 Amb25707756 [0,1,0,0,1,0|2,0,0]=4 1296 B13R1.348 C[C@H](Cc1ccccc1)NC(N)=O Amb25766034 [0,1,0,0,1,0|2,0,0]=4 1297 B13R1.348 NC(Cc1ccccc1)CC(O)=O Amb20623358 [0,1,0,0,1,0|1,0,0]=3 1298 B13R1.348 NC(Cc1ccccn1)CC(=O)O Amb17470627 [0,1,0,0,1,0|2,0,0]=4 1299 B13R1.348 NC(Cc1cccnc1)CC(=O)O Amb17470630 [0,1,0,0,1,0|2,0,0]=4 1300 B13R1.348 NC(Cc1ccncc1)CC(=O)O Amb17470634 [0,1,0,0,1,0|2,0,0]=4 1301 B13R1.348 N[C@@H](Cc1cc[n]cc1)CC(O)=O Amb22746344 [0,1,0,0,1,0|2,0,0]=4 1302 B13R1.348 N[C@@H](Cc1ccc[n]c1)CC(O)=O Amb22746342 [0,1,0,0,1,0|2,0,0]=4 1303 B13R1.348 O=C(Cc1ccccc1)CC(=O)C Amb15692856 [0,1,0,0,1,0|0,0,1]=3 1304 B13R1.348 O=C(Nc1ccccc1)CC(=O)C Amb1210069 [0,1,0,0,1,0|1,0,1]=4 1305 B13R1.348 OC(=O)CC(=O)Cc1ccccc1 Amb18128104 [0,1,0,0,1,0|1,0,1]=4 1306 B13R1.348 OC(=O)CC(Br)Cc1ccccc1 Amb18111137 [0,1,0,0,1,0|1,0,0]=3 1307 B13R1.348 OC(=O)CC(Cl)Cc1ccccc1 Amb18111136 [0,1,0,0,1,0|1,0,0]=3 1308 B13R1.348 OC(Cc1ccccc1)CC(=O)O Amb17233662 [0,1,0,0,1,0|1,0,0]=3 1309 B13R1.348 [2H]C(Cc1ccccc1)C=C(C)C Amb22546630 [0,1,0,0,1,0|1,0,1]=4 1310 B13R1.351 CC(=C)C(C)CNc1ccccc1 Amb25192041 [0,1,0,0,1,0|2,0,0]=4 1311 B13R1.351 CC(=C)C(C)NCc1ccccc1 Amb25101597 [0,1,0,0,1,0|2,0,0]=4 1312 B13R1.351 CC(=O)C(=O)CNc1ccccc1 Amb25123358 [0,1,0,0,1,0|1,0,1]=4 1313 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,1,0,0,1,0|1,0,1]=4 1314 B13R1.351 CC(=O)C(C)C#Cc1ccccc1 Amb24492361 [0,1,0,0,1,0|0,0,2]=4 1315 B13R1.351 CC(=O)C(C)CNc1ccccc1 Amb25325974 [0,1,0,0,1,0|1,0,0]=3 1316 B13R1.351 CC(=O)C(C)NCc1ccccc1 Amb18127991 [0,1,0,0,1,0|1,0,0]=3 1317 B13R1.351 CC(=O)C(C)ONc1ccccc1 Amb24495021 [0,1,0,0,1,0|2,0,0]=4 1318 B13R1.351 CC(=O)C(C)\C=C/c1ccccc1 Amb25735093 [0,1,0,0,1,0|0,0,2]=4 1319 B13R1.351 CC(=O)C(C)\C=C\c1ccccc1 Amb24655091 [0,1,0,0,1,0|0,0,2]=4 1320 B13R1.351 CC(=O)C(Cl)ONc1ccccc1 Amb25858083 [0,1,0,0,1,0|2,0,0]=4 1321 B13R1.351 CC(=O)N(C)OCc1ccccc1 Amb25829924 [0,1,0,0,1,0|2,0,0]=4 1322 B13R1.351 CC(=O)[C@@H](C)\C=C\c1ccccc1 Amb24752492 [0,1,0,0,1,0|0,0,2]=4 1323 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 Amb24492590 [0,1,0,0,1,0|1,0,0]=3 1324 B13R1.351 CC(=O)[C@H](C)ONc1ccccc1 Amb24492768 [0,1,0,0,1,0|2,0,0]=4 1325 B13R1.351 CC(=O)[C@H](C)\C=C\c1ccccc1 Amb24602920 [0,1,0,0,1,0|0,0,2]=4 1326 B13R1.351 CC(C(=O)C)OCc1ccccc1 Amb16231123 [0,1,0,0,1,0|1,0,0]=3 1327 B13R1.351 CC(C(=O)N)COc1ccccc1 Amb17233540 [0,1,0,0,1,0|2,0,0]=4 1328 B13R1.351 CC(C(=O)O)CCc1ccncc1 Amb17335289 [0,1,0,0,1,0|2,0,0]=4 1329 B13R1.351 CC(C(=O)O)NCc1ccccc1 Amb10199880 [0,1,0,0,1,0|2,0,0]=4 1330 B13R1.351 CC(C(=O)O)NCc1ccccc1 Amb1111423 [0,1,0,0,1,0|2,0,0]=4 1331 B13R1.351 CC(C(=O)O)SCc1ccccc1 Amb1137630 [0,1,0,0,1,0|2,0,0]=4 1332 B13R1.351 CC(C)C(O)CCc1ccccc1 Amb18034016 [0,1,0,0,1,0|1,0,1]=4 1333 B13R1.351 CC(OCc1ccccc1)C(=O)Cl Amb24354312 [0,1,0,0,1,0|2,0,0]=4 1334 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)Cl Amb24533460 [0,1,0,0,1,0|2,0,0]=4 1335 B13R1.351 C[C@@H](OCc1ccccc1)C(N)=O Amb25192194 [0,1,0,0,1,0|2,0,0]=4 1336 B13R1.351 C[C@H](C(=O)O)NCc1ccccc1 Amb16185448 [0,1,0,0,1,0|2,0,0]=4 1337 B13R1.351 C[C@H](OCc1ccccc1)C(O)=O Amb25072743 [0,1,0,0,1,0|2,0,0]=4 1338 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)=O Amb24529690 [0,1,0,0,1,0|0,0,2]=4 1339 B13R1.351 C\C(=N/Cc1ccccc1)\C(C)=O Amb25130600 [0,1,0,0,1,0|1,0,1]=4 1340 B13R1.351 NC(=O)C(=O)CCc1ccccc1 Amb24273105 [0,1,0,0,1,0|1,0,1]=4 1341 B13R1.351 NC(=O)C(N)CCc1ccccc1 Amb19035976 [0,1,0,0,1,0|1,0,0]=3 1342 B13R1.351 NC(=O)C(O)CNc1ccccc1 Amb24696346 [0,1,0,0,1,0|2,0,0]=4 1343 B13R1.351 NC(=O)C(O)COc1ccccc1 Amb22497384 [0,1,0,0,1,0|2,0,0]=4 1344 B13R1.351 NC(C(=O)O)CCc1ccncc1 Amb17470633 [0,1,0,0,1,0|2,0,0]=4 1345 B13R1.351 NC(CCc1cccc[n]1)C(O)=O Amb24117831 [0,1,0,0,1,0|2,0,0]=4 1346 B13R1.351 NC(CNc1ccccc1)C(O)=O Amb25360987 [0,1,0,0,1,0|2,0,0]=4 1347 B13R1.351 NC(CSc1ccccc1)C(O)=O Amb18325246 [0,1,0,0,1,0|2,0,0]=4 1348 B13R1.351 N[C@H](CCc1ccccc1)C(O)=O Amb17872441 [0,1,0,0,1,0|1,0,0]=3 1349 B13R1.351 N[C@H](CNc1ccccc1)C(O)=O Amb24652450 [0,1,0,0,1,0|2,0,0]=4 1350 B13R1.351 O=C(C(=O)C)NCc1ccccc1 Amb17400597 [0,1,0,0,1,0|1,0,1]=4 1351 B13R1.351 OC(=O)C(Br)CCc1ccccc1 Amb18662872 [0,1,0,0,1,0|1,0,0]=3 1352 B13R1.351 OC(=O)C(CCc1ccccn1)C Amb17335286 [0,1,0,0,1,0|2,0,0]=4 1353 B13R1.351 OC(=O)C(CCc1ccccn1)N Amb1101108 [0,1,0,0,1,0|2,0,0]=4 1354 B13R1.351 OC(=O)C(CCc1cccnc1)C Amb17233532 [0,1,0,0,1,0|2,0,0]=4 1355 B13R1.351 OC(=O)C(F)OCc1ccccc1 Amb25369072 [0,1,0,0,1,0|2,0,0]=4 1356 B13R1.351 O[C@H](C(=O)O)CCc1ccccc1 Amb10603260 [0,1,0,0,1,0|1,0,0]=3 1357 B13R1.513 BrC(=C)CCCc1ccc(cc1)C Amb13890672 [0,1,0,0,1,0|1,0,1]=4 1358 B13R1.513 BrC(=C)CCCc1ccc(cc1)Cl Amb13890660 [0,1,0,0,1,0|1,0,1]=4 1359 B13R1.513 BrC(=C)CCCc1ccc(cc1)F Amb13890684 [0,1,0,0,1,0|1,0,1]=4 1360 B13R1.513 CC(=C)CCCc1ccc(cc1)C Amb13890673 [0,1,0,0,1,0|1,0,0]=3 1361 B13R1.513 CC(=C)CCCc1ccc(cc1)Cl Amb13890661 [0,1,0,0,1,0|1,0,0]=3 1362 B13R1.513 CC(=C)CCCc1ccc(cc1)F Amb13890685 [0,1,0,0,1,0|1,0,0]=3 1363 B13R1.513 CC(=C)CCNc1ccc(Br)cc1 Amb25803095 [0,1,0,0,1,0|2,0,0]=4 1364 B13R1.513 CC(=C)CCNc1ccc(F)cc1 Amb24533540 [0,1,0,0,1,0|2,0,0]=4 1365 B13R1.513 CC(=C)CCNc1ccc(I)cc1 Amb24386324 [0,1,0,0,1,0|2,0,0]=4 1366 B13R1.513 CC(=C)CNCc1ccc(Br)cc1 Amb24768740 [0,1,0,0,1,0|2,0,0]=4 1367 B13R1.513 CC(=C)CNCc1ccc(cc1)C Amb17308891 [0,1,0,0,1,0|2,0,0]=4 1368 B13R1.513 CC(=C)CNCc1ccc(cc1)Cl Amb17309084 [0,1,0,0,1,0|2,0,0]=4 1369 B13R1.513 CC(=C)CNCc1ccc(cc1)F Amb17308876 [0,1,0,0,1,0|2,0,0]=4 1370 B13R1.513 CC(=C)CSCc1ccc(cc1)N Amb17498611 [0,1,0,0,1,0|2,0,0]=4 1371 B13R1.513 CC(=N)NCCc1ccc(Cl)cc1 Amb25807067 [0,1,0,0,1,0|2,0,0]=4 1372 B13R1.513 CC(=O)CCCc1ccc(cc1)Br Amb17255478 [0,1,0,0,1,0|0,0,0]=2 1373 B13R1.513 CC(=O)CCCc1ccc(cc1)C Amb17233200 [0,1,0,0,1,0|0,0,0]=2 1374 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl Amb17236503 [0,1,0,0,1,0|0,0,0]=2 1375 B13R1.513 CC(=O)CCCc1ccc(cc1)F Amb17233677 [0,1,0,0,1,0|0,0,0]=2 1376 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl Amb17139725 [0,1,0,0,1,0|1,0,0]=3 1377 B13R1.513 CC(=O)CSCc1ccc(Cl)cc1 Amb24064340 [0,1,0,0,1,0|1,0,0]=3 1378 B13R1.513 CC(=O)C\C=C\c1ccc(Br)cc1 Amb24553090 [0,1,0,0,1,0|0,0,2]=4 1379 B13R1.513 CC(=O)C\C=C\c1ccc(Cl)cc1 Amb22490195 [0,1,0,0,1,0|0,0,2]=4 1380 B13R1.513 CC(=O)C\C=C\c1ccc(F)cc1 Amb25326496 [0,1,0,0,1,0|0,0,2]=4 1381 B13R1.513 CC(=O)C\C=C\c1ccc(O)cc1 Amb24747691 [0,1,0,0,1,0|0,0,2]=4 1382 B13R1.513 CC(=O)NCCC=1C=CC(=O)NC1 Amb25272227 [0,1,0,0,1,0|2,0,0]=4 1383 B13R1.513 CC(=O)NCCc1ccc(Br)c[n]1 Amb24436674 [0,1,0,0,1,0|2,0,0]=4 1384 B13R1.513 CC(=O)NCCc1ccc(Br)cc1 Amb24451176 [0,1,0,0,1,0|1,0,0]=3 1385 B13R1.513 CC(=O)NCCc1ccc(Cl)[n]c1 Amb24683764 [0,1,0,0,1,0|2,0,0]=4 1386 B13R1.513 CC(=O)NCCc1ccc(Cl)cc1 Amb22227659 [0,1,0,0,1,0|1,0,0]=3 1387 B13R1.513 CC(=O)NCCc1ccc(cc1)N Amb17138877 [0,1,0,0,1,0|1,0,0]=3 1388 B13R1.513 CC(=O)NCOc1ccc(N)cc1 Amb24072944 [0,1,0,0,1,0|2,0,0]=4 1389 B13R1.513 CC(=O)NOCc1ccc(Br)cc1 Amb24584005 [0,1,0,0,1,0|2,0,0]=4 1390 B13R1.513 CC(=O)NOCc1ccc(Cl)cc1 Amb25099136 [0,1,0,0,1,0|2,0,0]=4 1391 B13R1.513 CC(=O)NOCc1ccc(F)cc1 Amb24704201 [0,1,0,0,1,0|2,0,0]=4 1392 B13R1.513 CC(=O)OCCc1ccc(cc1)O Amb17607347 [0,1,0,0,1,0|0,0,0]=2 1393 B13R1.513 CC(=O)O\N=C\c1ccc(O)cc1 Amb25302268 [0,1,0,0,1,0|1,0,1]=4 1394 B13R1.513 CC(CCCc1ccc(cc1)Br)N Amb17255967 [0,1,0,0,1,0|1,0,1]=4 1395 B13R1.513 CC(CCCc1ccc(cc1)C)N Amb17233315 [0,1,0,0,1,0|1,0,1]=4 1396 B13R1.513 CC(CCCc1ccc(cc1)Cl)N Amb17236683 [0,1,0,0,1,0|1,0,1]=4 1397 B13R1.513 CC(CCCc1ccc(cc1)F)N Amb17233821 [0,1,0,0,1,0|1,0,1]=4 1398 B13R1.513 CN(C)CCCc1ccc(O)cc1 Amb20671018 [0,1,0,0,1,0|2,0,0]=4 1399 B13R1.513 CS(=O)CCNc1ccc(Br)cc1 Amb25229260 [0,1,0,0,1,0|2,0,0]=4 1400 B13R1.513 CS(=O)CCNc1ccc(Cl)cc1 Amb25265284 [0,1,0,0,1,0|2,0,0]=4 1401 B13R1.513 Cc1ccc(CCCC(N)=S)cc1 Amb18626184 [0,1,0,0,1,0|1,1,0]=4 1402 B13R1.513 Cc1ccc(CCOC(C)=O)cc1 Amb24100708 [0,1,0,0,1,0|0,0,0]=2 1403 B13R1.513 Cc1ccc(C\C=C\C(C)=O)cc1 Amb25179399 [0,1,0,0,1,0|0,0,2]=4 1404 B13R1.513 Cc1ccc(\C=C/CC(C)=O)cc1 Amb24492797 [0,1,0,0,1,0|0,0,2]=4 1405 B13R1.513 Cc1ccc(\C=C\CC(C)=O)cc1 Amb24447420 [0,1,0,0,1,0|0,0,2]=4 1406 B13R1.513 Cc1ccc(cc1)NCCC(C)=O Amb25155561 [0,1,0,0,1,0|1,0,0]=3 1407 B13R1.513 Cc1ccc(cc1)[Te]CCC(O)=O Amb22367959 [0,1,0,0,1,0|2,0,0]=4 1408 B13R1.513 ClC(=C)CCCc1ccc(cc1)C Amb13890671 [0,1,0,0,1,0|1,0,1]=4 1409 B13R1.513 ClC(=C)CCCc1ccc(cc1)Cl Amb13890659 [0,1,0,0,1,0|1,0,1]=4 1410 B13R1.513 ClC(=C)CCCc1ccc(cc1)F Amb13890683 [0,1,0,0,1,0|1,0,1]=4 1411 B13R1.513 ClC(=O)CCOc1ccc(cc1)C Amb17143210 [0,1,0,0,1,0|2,0,0]=4 1412 B13R1.513 ClC(=O)CCOc1ccc(cc1)Cl Amb17143749 [0,1,0,0,1,0|2,0,0]=4 1413 B13R1.513 ClC(=O)CCSc1ccc(cc1)Cl Amb17144561 [0,1,0,0,1,0|2,0,0]=4 1414 B13R1.513 NC(=O)CCCc1ccc(cc1)C Amb17233276 [0,1,0,0,1,0|1,0,0]=3 1415 B13R1.513 NC(=O)CCCc1ccc(cc1)Cl Amb17236667 [0,1,0,0,1,0|1,0,0]=3 1416 B13R1.513 NC(=O)CCCc1ccc(cc1)F Amb17233787 [0,1,0,0,1,0|1,0,0]=3 1417 B13R1.513 NC(=O)CCNc1ccc(cc1)F Amb1670561 [0,1,0,0,1,0|2,0,0]=4 1418 B13R1.513 NC(=O)CCSc1ccc(cc1)Br Amb15962728 [0,1,0,0,1,0|2,0,0]=4 1419 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl Amb1539927 [0,1,0,0,1,0|2,0,0]=4 1420 B13R1.513 NC(=O)CNCc1ccc(cc1)Br Amb1120953 [0,1,0,0,1,0|2,0,0]=4 1421 B13R1.513 NC(=O)CNCc1ccc(cc1)C Amb1112534 [0,1,0,0,1,0|2,0,0]=4 1422 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl Amb1112155 [0,1,0,0,1,0|2,0,0]=4 1423 B13R1.513 NC(=O)CNCc1ccc(cc1)F Amb1118480 [0,1,0,0,1,0|2,0,0]=4 1424 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl Amb1179222 [0,1,0,0,1,0|2,0,0]=4 1425 B13R1.513 NC(=O)CSCc1ccc(cc1)N Amb17497163 [0,1,0,0,1,0|2,0,0]=4 1426 B13R1.513 NC(=O)NCCc1ccc(O)cc1 Amb18181065 [0,1,0,0,1,0|2,0,0]=4 1427 B13R1.513 NC(=O)NCCc1ccc(cc1)Cl Amb12806713 [0,1,0,0,1,0|2,0,0]=4 1428 B13R1.513 NC(=S)CCCc1ccc(Cl)cc1 Amb18107322 [0,1,0,0,1,0|1,1,0]=4 1429 B13R1.513 Nc1ccc(CCNC(N)=O)cc1 Amb18973442 [0,1,0,0,1,0|2,0,0]=4 1430 B13R1.513 Nc1ccc(cc1)NCCC(N)=O Amb19373175 [0,1,0,0,1,0|2,0,0]=4 1431 B13R1.513 Nc1ccc(cc1)NCCC(O)=O Amb25060675 [0,1,0,0,1,0|2,0,0]=4 1432 B13R1.513 Nc1ccc(cc1)OCCC(O)=O Amb19348346 [0,1,0,0,1,0|2,0,0]=4 1433 B13R1.513 Nc1ccc(cc1)SCCC(O)=O Amb19014210 [0,1,0,0,1,0|2,0,0]=4 1434 B13R1.513 O=C(Cl)CCSc1ccc(F)cc1 Amb22642142 [0,1,0,0,1,0|2,0,0]=4 1435 B13R1.513 OC(=O)CCCN1C=CC(=O)C=C1 Amb18029469 [0,1,0,0,1,0|2,0,0]=4 1436 B13R1.513 OC(=O)CCCc1ccc(cc1)C Amb2568475 [0,1,0,0,1,0|1,0,0]=3 1437 B13R1.513 OC(=O)CCCc1ccc(cc1)O Amb10602364 [0,1,0,0,1,0|1,0,0]=3 1438 B13R1.513 OC(=O)CCCc1ccc(cc1)S Amb17616854 [0,1,0,0,1,0|1,0,0]=3 1439 B13R1.513 OC(=O)CCNc1ccc(cc1)Br Amb2209168 [0,1,0,0,1,0|2,0,0]=4 1440 B13R1.513 OC(=O)CCNc1ccc(cc1)C Amb2209164 [0,1,0,0,1,0|2,0,0]=4 1441 B13R1.513 OC(=O)CCNc1ccc(cc1)Cl Amb2209167 [0,1,0,0,1,0|2,0,0]=4 1442 B13R1.513 OC(=O)CCNc1ccc(cc1)F Amb2209163 [0,1,0,0,1,0|2,0,0]=4 1443 B13R1.513 OC(=O)CCOc1ccc(cc1)Br Amb1118334 [0,1,0,0,1,0|2,0,0]=4 1444 B13R1.513 OC(=O)CCOc1ccc(cc1)Cl Amb1115231 [0,1,0,0,1,0|2,0,0]=4 1445 B13R1.513 OC(=O)CCOc1ccc(cc1)F Amb1119259 [0,1,0,0,1,0|2,0,0]=4 1446 B13R1.513 OC(=O)CCSc1ccc(cc1)Br Amb1118833 [0,1,0,0,1,0|2,0,0]=4 1447 B13R1.513 OC(=O)CCSc1ccc(cc1)C Amb1102788 [0,1,0,0,1,0|2,0,0]=4 1448 B13R1.513 OC(=O)CCSc1ccc(cc1)Cl Amb1102804 [0,1,0,0,1,0|2,0,0]=4 1449 B13R1.513 OC(=O)CCSc1ccc(cc1)F Amb1215312 [0,1,0,0,1,0|2,0,0]=4 1450 B13R1.513 OC(=O)CC[Te]c1ccc(Br)cc1 Amb22359444 [0,1,0,0,1,0|2,0,0]=4 1451 B13R1.513 OC(=O)CNCc1ccc(cc1)Cl Amb1111327 [0,1,0,0,1,0|2,0,0]=4 1452 B13R1.513 OC(=O)CNCc1ccc(cc1)Cl Amb15740982 [0,1,0,0,1,0|2,0,0]=4 1453 B13R1.513 OC(=O)CNCc1ccc(cc1)F Amb10610178 [0,1,0,0,1,0|2,0,0]=4 1454 B13R1.513 OC(=O)CNCc1ccc(cc1)F Amb2372201 [0,1,0,0,1,0|2,0,0]=4 1455 B13R1.513 OC(=O)COCc1ccc(cc1)C Amb17470625 [0,1,0,0,1,0|2,0,0]=4 1456 B13R1.513 OC(=O)COCc1ccc(cc1)Cl Amb17471000 [0,1,0,0,1,0|2,0,0]=4 1457 B13R1.513 OC(=O)COCc1ccc(cc1)F Amb17470663 [0,1,0,0,1,0|2,0,0]=4 1458 B13R1.513 OC(=O)CSCc1ccc(cc1)C Amb1211907 [0,1,0,0,1,0|2,0,0]=4 1459 B13R1.513 OC(=O)CSCc1ccc(cc1)F Amb1210139 [0,1,0,0,1,0|2,0,0]=4 1460 B13R1.513 OC(=O)CSCc1ccc(cc1)N Amb17497517 [0,1,0,0,1,0|2,0,0]=4 1461 B13R1.513 Oc1ccc(CCCC(=O)Cl)cc1 Amb20621445 [0,1,0,0,1,0|1,0,0]=3 1462 B13R1.3523 CC(CCCc1ccccc1)(N)C Amb17400637 [0,1,0,0,1,0|1,0,1]=4 1463 B13R1.3523 CC(CCCc1ccccc1)(O)C Amb17400670 [0,1,0,0,1,0|0,0,2]=4 1464 B13R1.3523 CP(C)(=O)CNCc1ccccc1 Amb25804602 [0,1,0,0,1,0|2,0,0]=4 1465 B13R1.3523 CS(=O)(=O)CCNc1ccccc1 Amb19004864 [0,1,0,0,1,0|2,0,0]=4 1466 B13R1.3523 CS(=O)(=O)OCCc1c[n]ccc1 Amb24496386 [0,1,0,0,1,0|2,0,0]=4 1467 B13R1.3523 CS(=O)(=O)OCCc1ccccc1 Amb22493888 [0,1,0,0,1,0|1,0,0]=3 1468 B13R1.3523 C[Si](C)(Cl)CCCc1ccccc1 Amb19893686 [0,1,0,0,1,0|1,1,0]=4 1469 B13R1.3523 NS(=O)(=O)CCCc1ccccc1 Amb18322199 [0,1,0,0,1,0|2,0,0]=4 1470 B13R1.3523 OP(O)(=O)CCCc1ccccc1 Amb22471211 [0,1,0,0,1,0|2,0,0]=4 1471 B13R1.536 CCC(=O)CCCCc1ccco1 Amb17233690 [0,1,0,0,1,0|2,0,0]=4 1472 B13R1.536 CCC(=O)CCCCc1cccs1 Amb17236457 [0,1,0,0,1,0|2,0,0]=4 1473 B13R1.536 CCC(=O)NCCCc1ccco1 Amb23212941 [0,1,0,0,1,0|2,0,0]=4 1474 B13R1.593 CC(NC(=O)C)CCc1ccco1 Amb15740584 [0,1,0,0,1,0|2,0,0]=4 1475 B15R1.119 CC(C)OCCNCc1cccc(Br)c1 Amb24771027 [0,1,0,0,0,1|1,0,1]=4 1476 B15R1.119 CC(C)OCCNCc1cccc(Cl)c1 Amb24773008 [0,1,0,0,0,1|1,0,1]=4 1477 B15R1.119 CC(C)OCCNCc1cccc(F)c1 Amb24771013 [0,1,0,0,0,1|1,0,1]=4 1478 B15R1.119 Cc1cccc(CNCCOC(C)C)c1 Amb24771022 [0,1,0,0,0,1|1,0,1]=4 1479 B15R1.119 Cc1cccc(NCCCNC(C)=O)[n]1 Amb23849289 [0,1,0,0,0,1|2,0,0]=4 1480 B15R1.119 Nc1cc(CCNCCC(O)=O)ccc1 Amb18550410 [0,1,0,0,0,1|2,0,0]=4 1481 B15R1.119 OC(=O)CCCNCc1cccc(I)c1 Amb24775646 [0,1,0,0,0,1|2,0,0]=4 1482 B15R1.119 OC(=O)CCCNCc1cccc(c1)C Amb1109830 [0,1,0,0,0,1|2,0,0]=4 1483 B15R1.119 OC(=O)CCCNCc1cccc(c1)Cl Amb10199871 [0,1,0,0,0,1|2,0,0]=4 1484 B15R1.119 OC(=O)CCCNCc1cccc(c1)Cl Amb1110592 [0,1,0,0,0,1|2,0,0]=4 1485 B15R1.119 OC(=O)CCCNCc1cccc(c1)F Amb10609242 [0,1,0,0,0,1|2,0,0]=4 1486 B15R1.119 OC(=O)CCCNCc1cccc(c1)F Amb1111030 [0,1,0,0,0,1|2,0,0]=4 1487 B15R1.131 CC(=O)NCCCSc1ccccc1O Amb22145263 [0,1,0,0,0,1|1,0,0]=3 1488 B15R1.131 CC(C)OCCNCc1ccccc1Br Amb24771028 [0,1,0,0,0,1|1,0,1]=4 1489 B15R1.131 CC(C)OCCNCc1ccccc1Cl Amb24770998 [0,1,0,0,0,1|1,0,1]=4 1490 B15R1.131 CC(C)OCCNCc1ccccc1F Amb24771006 [0,1,0,0,0,1|1,0,1]=4 1491 B15R1.131 Cc1ccccc1CNCCOC(C)=O Amb18929032 [0,1,0,0,0,1|0,0,0]=2 1492 B15R1.131 Cc1ccccc1CNCCOC(C)C Amb24771021 [0,1,0,0,0,1|1,0,1]=4 1493 B15R1.131 OC(=O)CCCNCc1ccccc1C Amb10609179 [0,1,0,0,0,1|2,0,0]=4 1494 B15R1.131 OC(=O)CCCNCc1ccccc1C Amb1111398 [0,1,0,0,0,1|2,0,0]=4 1495 B15R1.131 OC(=O)CCCNCc1ccccc1Cl Amb1111360 [0,1,0,0,0,1|2,0,0]=4 1496 B15R1.131 OC(=O)CCCNCc1ccccc1Cl Amb13951558 [0,1,0,0,0,1|2,0,0]=4 1497 B15R1.497 CC(=O)NCCCN(C)c1cccc[n]1 Amb23606085 [0,1,0,0,0,1|2,0,0]=4 1498 B15R1.497 NC(CCCCC(O)=O)c1ccccc1 Amb19435643 [0,1,0,0,0,1|2,0,0]=4 1499 B15R1.497 O=C(CCCCC(=O)Cl)c1ccccc1 Amb21961747 [0,1,0,0,0,1|2,0,0]=4 1500 B15R1.497 OC(=O)CSCCC(O)c1ccccc1 Amb21984426 [0,1,0,0,0,1|1,1,0]=4 1501 B15R1.871 CC(=O)CSCCOc1ccc(cc1)N Amb17504113 [0,1,0,0,0,1|1,1,0]=4 1502 B15R1.871 CC(=O)NCCCNc1c[n]c(N)cc1 Amb18101761 [0,1,0,0,0,1|2,0,0]=4 1503 B15R1.871 CC(=O)NCCCNc1ccc(Br)c[n]1 Amb23666166 [0,1,0,0,0,1|2,0,0]=4 1504 B15R1.871 CC(=O)NCCCOc1ccc(cc1)N Amb17131786 [0,1,0,0,0,1|1,0,0]=3 1505 B15R1.871 CC(=O)NCCCSc1ccc(F)cc1 Amb20681681 [0,1,0,0,0,1|1,0,0]=3 1506 B15R1.871 CC(=O)NCCSCc1ccc(cc1)C Amb15703009 [0,1,0,0,0,1|1,0,0]=3 1507 B15R1.871 CC(=O)OCCCOc1ccc(Br)cc1 Amb22504602 [0,1,0,0,0,1|0,0,0]=2 1508 B15R1.871 CC(=O)OCCNCc1ccc(Cl)cc1 Amb18929160 [0,1,0,0,0,1|0,0,0]=2 1509 B15R1.871 CC(C)OCCNCc1ccc(Br)cc1 Amb24771011 [0,1,0,0,0,1|1,0,1]=4 1510 B15R1.871 CC(C)OCCNCc1ccc(Cl)cc1 Amb24771012 [0,1,0,0,0,1|1,0,1]=4 1511 B15R1.871 CC(C)OCCNCc1ccc(F)cc1 Amb24771005 [0,1,0,0,0,1|1,0,1]=4 1512 B15R1.871 Cc1ccc(CNCCOC(C)=O)cc1 Amb18929213 [0,1,0,0,0,1|0,0,0]=2 1513 B15R1.871 Cc1ccc(CNCCOC(C)C)cc1 Amb24771010 [0,1,0,0,0,1|1,0,1]=4 1514 B15R1.871 Nc1ccc(CCNCCC(O)=O)cc1 Amb18550359 [0,1,0,0,0,1|2,0,0]=4 1515 B15R1.871 OC(=O)CCCCOc1ccc(cc1)Cl Amb2032059 [0,1,0,0,0,1|2,0,0]=4 1516 B15R1.871 OC(=O)CCCNCc1ccc(cc1)Cl Amb10609858 [0,1,0,0,0,1|2,0,0]=4 1517 B15R1.871 OC(=O)CCCNCc1ccc(cc1)Cl Amb1109631 [0,1,0,0,0,1|2,0,0]=4 1518 B15R1.871 OC(=O)CCCNCc1ccc(cc1)F Amb10609156 [0,1,0,0,0,1|2,0,0]=4 1519 B15R1.871 OC(=O)CCCNCc1ccc(cc1)F Amb1111469 [0,1,0,0,0,1|2,0,0]=4 1520 B15R1.871 OC(=O)CCCSCc1ccc(cc1)N Amb17498969 [0,1,0,0,0,1|2,0,0]=4 1521 B15R1.871 OC(=O)CCNCCc1ccc(Cl)cc1 Amb22270003 [0,1,0,0,0,1|2,0,0]=4 1522 B15R1.871 Oc1ccc(CCCCCC(O)=O)cc1 Amb19132681 [0,1,0,0,0,1|2,0,0]=4 1523 B15R1.962 Br\C(\CBr)=C/CCOCc1ccccc1 Amb25678545 [0,1,0,0,0,1|2,0,0]=4 1524 B15R1.962 C=CC(=O)OCCOCc1ccccc1 Amb25086031 [0,1,0,0,0,1|0,0,1]=3 1525 B15R1.962 CC(C#C)OCCOCc1ccccc1 Amb25193991 [0,1,0,0,0,1|1,0,1]=4 1526 B15R1.962 CC(C#N)OCCOCc1ccccc1 Amb24456267 [0,1,0,0,0,1|1,0,1]=4 1527 B15R1.962 CCC(=O)CCCOCc1ccccc1 Amb25849760 [0,1,0,0,0,1|1,0,0]=3 1528 B15R1.962 CCC(=O)NCCCOc1ccccc1 Amb2553294 [0,1,0,0,0,1|1,0,0]=3 1529 B15R1.962 CCC(=O)NCCCSc1ccccc1 Amb10611931 [0,1,0,0,0,1|1,0,0]=3 1530 B15R1.962 CCC(=O)NCCNCc1ccccc1 Amb24552653 [0,1,0,0,0,1|1,0,0]=3 1531 B15R1.962 CCC(=O)NCCOCc1ccccc1 Amb24555793 [0,1,0,0,0,1|1,0,0]=3 1532 B15R1.962 CCC(=O)NCCSCc1ccccc1 Amb10675828 [0,1,0,0,0,1|1,0,0]=3 1533 B15R1.962 CCC(=O)NOCCOc1ccccc1 Amb16793654 [0,1,0,0,0,1|1,0,0]=3 1534 B15R1.962 CCC(=O)OCCNCc1ccccc1 Amb18266491 [0,1,0,0,0,1|0,0,0]=2 1535 B15R1.962 CCC(C)OCCNCc1ccccc1 Amb25782421 [0,1,0,0,0,1|1,0,1]=4 1536 B15R1.962 CNC(=O)CCCNCc1ccccc1 Amb24362068 [0,1,0,0,0,1|1,0,0]=3 1537 B15R1.962 CNC(=O)CCNOCc1ccccc1 Amb25171109 [0,1,0,0,0,1|2,0,0]=4 1538 B15R1.962 CNC(=S)NCCSCc1ccccc1 Amb23099615 [0,1,0,0,0,1|1,1,0]=4 1539 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb20668282 [0,1,0,0,0,1|1,0,0]=3 1540 B15R1.962 COC(=O)NOCCOc1ccccc1 Amb16793706 [0,1,0,0,0,1|1,0,0]=3 1541 B15R1.962 COC(=O)\C=C\CNCc1ccccc1 Amb24587117 [0,1,0,0,0,1|1,0,1]=4 1542 B15R1.962 ClCC(=O)NCCCOc1ccccc1 Amb17247972 [0,1,0,0,0,1|1,0,0]=3 1543 B15R1.962 ClCC(=O)NCCCSc1ccccc1 Amb1672011 [0,1,0,0,0,1|1,0,0]=3 1544 B15R1.962 ClCC(=O)NCCSCc1ccccc1 Amb1656481 [0,1,0,0,0,1|1,0,0]=3 1545 B15R1.962 NCC(=O)CCCOCc1ccccc1 Amb25854482 [0,1,0,0,0,1|1,0,0]=3 1546 B15R1.962 NCC(=O)NCCCOc1ccccc1 Amb24772755 [0,1,0,0,0,1|1,0,0]=3 1547 B15R1.962 O=C(CCl)NCCOCc1ccccc1 Amb24551228 [0,1,0,0,0,1|1,0,0]=3 1548 B15R1.1081 CC(=N)NCCN(C)Cc1ccccc1 Amb24608720 [0,1,0,0,0,1|2,0,0]=4 1549 B15R1.1081 CC(=O)NCCN(C)Cc1ccccc1 Amb21395170 [0,1,0,0,0,1|1,0,0]=3 1550 B15R1.1081 CC(=O)OCCN(C)Cc1ccccc1 Amb24733910 [0,1,0,0,0,1|0,0,0]=2 1551 B15R1.1081 CC(C)OCCN(C)Cc1ccccc1 Amb21541075 [0,1,0,0,0,1|1,0,1]=4 1552 B15R1.1081 CC(Cc1ccccc1)NCCC(N)=O Amb20207671 [0,1,0,0,0,1|2,0,0]=4 1553 B15R1.1081 CC(Cc1ccccc1)NCCC(O)=O Amb20207676 [0,1,0,0,0,1|2,0,0]=4 1554 B15R1.1081 CN(Cc1ccccc1)CCCC(=O)Cl Amb17144056 [0,1,0,0,0,1|2,0,0]=4 1555 B15R1.1081 CN(Cc1ccccc1)CCCC(=O)N Amb17143360 [0,1,0,0,0,1|2,0,0]=4 1556 B15R1.1081 CN(Cc1ccccc1)CCCC(=O)O Amb15740947 [0,1,0,0,0,1|2,0,0]=4 1557 B15R1.1081 O=C(Nc1ccccc1)CCNC(=O)C Amb16865270 [0,1,0,0,0,1|1,0,1]=4 1558 B15R1.3664 CC(=C)C(=O)OCCCc1ccccc1 Amb17934136 [0,1,0,0,0,1|1,0,0]=3 1559 B15R1.3664 CC(=C)C(=O)OCCNc1ccccc1 Amb22456069 [0,1,0,0,0,1|2,0,0]=4 1560 B15R1.3664 CC(=C)C(=O)OCCOc1ccccc1 Amb22352010 [0,1,0,0,0,1|2,0,0]=4 1561 B15R1.3664 CC(=O)C(C)CCOCc1ccccc1 Amb24705808 [0,1,0,0,0,1|1,0,0]=3 1562 B15R1.3664 CC(OCOCc1ccccc1)C(O)=O Amb25090877 [0,1,0,0,0,1|2,0,0]=4 1563 B15R1.3664 C[C@H](OCOCc1ccccc1)C(O)=O Amb25790555 [0,1,0,0,0,1|2,0,0]=4 1564 B15R1.3664 C\C(=C/CNCc1ccccc1)\C(C)=O Amb24759043 [0,1,0,0,0,1|1,0,1]=4 1565 B15R1.3664 NC(=O)[C@@H](N)CCOCc1ccccc1 Amb25277152 [0,1,0,0,0,1|2,0,0]=4 1566 B15R1.3664 NC(CCOCc1ccccc1)C(O)=O Amb25857076 [0,1,0,0,0,1|2,0,0]=4 1567 B15R1.3664 OC(=O)C(=O)NCCCc1ccccc1 Amb18529576 [0,1,0,0,0,1|2,0,0]=4 1568 B15R1.3664 OC(=O)C(CCOCc1ccccc1)C Amb10844271 [0,1,0,0,0,1|2,0,0]=4 1569 B15R1.3664 OC(=O)[C@@H](CCOCc1ccccc1)C Amb10844553 [0,1,0,0,0,1|2,0,0]=4 1570 B15R1.3664 OC(=O)[C@@H](CCOCc1ccccc1)N Amb16183869 [0,1,0,0,0,1|2,0,0]=4 1571 B15R1.3664 OC(=O)[C@H](CCOCc1ccccc1)C Amb10844269 [0,1,0,0,0,1|2,0,0]=4 1572 B15R1.3664 OC(=O)[C@H](CCOCc1ccccc1)N Amb16183871 [0,1,0,0,0,1|2,0,0]=4 1573 B15R1.3664 OC(=O)[C@H](CCSCc1ccccc1)N Amb17609042 [0,1,0,0,0,1|2,0,0]=4 1574 B15R1.3890 CC(C)(C)OCCNCc1ccccc1 Amb25827310 [0,1,0,0,0,1|1,0,1]=4 1575 B15R1.3890 CC(C)(N)COCCCc1ccccc1 Amb18630804 [0,1,0,0,0,1|1,0,1]=4 1576 B15R1.3890 CS(=O)(=O)NCCSCc1ccccc1 Amb1843328 [0,1,0,0,0,1|2,0,0]=4 1577 B15R1.3890 CS(=O)(=O)NOCCOc1ccccc1 Amb16793719 [0,1,0,0,0,1|2,0,0]=4 1578 B15R1.3890 CS(C)(=O)=NCCNCc1ccccc1 Amb24722643 [0,1,0,0,0,1|2,0,0]=4 1579 B15R1.3890 OS(=O)(=O)OCCNCc1ccccc1 Amb21858586 [0,1,0,0,0,1|2,0,0]=4 1580 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 Amb25712387 [0,1,0,0,0,1|1,0,1]=4 1581 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 Amb25277285 [0,1,0,0,0,1|1,0,1]=4 1582 B15R1.5919 CC(=O)NNC(C)CCc1ccccc1 Amb22468992 [0,1,0,0,0,1|1,0,0]=3 1583 B15R1.5919 CC(=O)ONC(=O)OCc1ccccc1 Amb24323244 [0,1,0,0,0,1|1,0,1]=4 1584 B15R1.5919 CC(CCS(C)=O)NCc1ccccc1 Amb25852020 [0,1,0,0,0,1|2,0,0]=4 1585 B15R1.5919 CN(CCC(=O)O)CCc1ccccc1 Amb17338828 [0,1,0,0,0,1|2,0,0]=4 1586 B15R1.5919 C\C(=N/NC(=O)C)\CCc1ccccc1 Amb2266784 [0,1,0,0,0,1|1,0,1]=4 1587 B15R1.5919 NC(=O)NCC(S)COc1ccccc1 Amb20648478 [0,1,0,0,0,1|2,0,0]=4 1588 B15R1.5919 O=C(CCC(=O)C)NCc1ccccc1 Amb16886463 [0,1,0,0,0,1|1,0,1]=4 1589 B15R1.5919 OC(COC(C)C)CNc1ccccc1 Amb10821022 [0,1,0,0,0,1|1,0,1]=4 1590 B15R1.9084 CC(=O)NC(C)COCc1ccccc1 Amb25186806 [0,1,0,0,0,1|1,0,0]=3 1591 B15R1.9084 CC(=O)OC(C)CNCc1ccccc1 Amb18929272 [0,1,0,0,0,1|0,0,0]=2 1592 B15R1.9084 CC(C)=CC(N)COCc1ccccc1 Amb25362592 [0,1,0,0,0,1|2,0,0]=4 1593 B15R1.9084 CC(CC(=O)N)NCCc1ccccc1 Amb17239031 [0,1,0,0,0,1|2,0,0]=4 1594 B15R1.9084 CC(COCc1ccccc1)NC(N)=O Amb24531304 [0,1,0,0,0,1|2,0,0]=4 1595 B15R1.9084 C[C@H](CC(=O)O)COCc1ccccc1 Amb10844391 [0,1,0,0,0,1|2,0,0]=4 1596 B15R1.9084 C[C@H](COCc1ccccc1)CC(O)=O Amb25131145 [0,1,0,0,0,1|2,0,0]=4 1597 B15R1.9084 O=C(CC(=O)C)NCCc1ccccc1 Amb1871453 [0,1,0,0,0,1|1,0,1]=4 1598 B15R1.9084 OC(=O)CC(O)CNCc1ccccc1 Amb25315784 [0,1,0,0,0,1|2,0,0]=4 1599 B15R1.9084 OC(=O)C[C@H](O)COCc1ccccc1 Amb25725918 [0,1,0,0,0,1|2,0,0]=4 1600 B15R1.64 CC(=O)NCCNc1cc(ccc1)OC Amb18270415 [0,2,0,0,0,0|2,0,0]=4 1601 B15R1.64 CC(=O)NCCOc1cc(ccc1)OC Amb21464401 [0,2,0,0,0,0|2,0,0]=4 1602 B15R1.64 COc1cc(CCCCC(O)=O)ccc1 Amb18049846 [0,2,0,0,0,0|2,0,0]=4 1603 B15R1.64 COc1cccc(c1)CCCCC(=O)C Amb17238898 [0,2,0,0,0,0|1,0,0]=3 1604 B15R1.120 O=C(Nc1cccc(c1)C)COC(=O)C Amb1649478 [0,2,0,0,0,0|1,0,1]=4 1605 B15R1.120 O=C(Nc1cccc(c1)Cl)COC(=O)C Amb2293221 [0,2,0,0,0,0|1,0,1]=4 1606 B15R1.121 CC(=O)N(C)CCOc1cccc(Cl)c1 Amb20770791 [0,2,0,0,0,0|2,0,0]=4 1607 B15R1.123 CC(=O)NCCOc1cccc(c1C)C Amb13949289 [0,2,0,0,0,0|2,0,0]=4 1608 B15R1.123 Cc1c(Cl)cccc1NCCNC(C)=O Amb18270433 [0,2,0,0,0,0|2,0,0]=4 1609 B15R1.888 CC(=O)CCCOc1ccc(c(c1)C)Cl Amb17247540 [0,2,0,0,0,0|2,0,0]=4 1610 B15R1.888 CC(=O)NCCCc1cc(O)c(O)cc1 Amb24073142 [0,2,0,0,0,0|1,0,0]=3 1611 B15R1.888 CC(=O)NCCNc1cc(F)c(F)cc1 Amb18933369 [0,2,0,0,0,0|2,0,0]=4 1612 B15R1.888 CC(=O)NCCOc1ccc(C)c(N)c1 Amb22524412 [0,2,0,0,0,0|2,0,0]=4 1613 B15R1.888 CC(=O)NCCOc1ccc(c(c1)C)Cl Amb1089480 [0,2,0,0,0,0|2,0,0]=4 1614 B15R1.888 CC(=O)NCCOc1ccc(c(c1)C)N Amb17132075 [0,2,0,0,0,0|2,0,0]=4 1615 B15R1.888 Cc1cc(CCCCC(O)=O)ccc1Cl Amb18049837 [0,2,0,0,0,0|2,0,0]=4 1616 B15R1.888 Cc1ccc(cc1C)NCCNC(C)=O Amb18933373 [0,2,0,0,0,0|2,0,0]=4 1617 B15R1.888 Cc1ccc(cc1Cl)OCCNC(C)=O Amb23309748 [0,2,0,0,0,0|2,0,0]=4 1618 B15R1.888 Oc1cc(CCCCC(O)=O)ccc1O Amb20668452 [0,2,0,0,0,0|2,0,0]=4 1619 B15R1.942 CCC(=O)CCCCc1cccc(c1)Br Amb17273843 [0,2,0,0,0,0|1,0,0]=3 1620 B15R1.942 CCC(=O)CCCCc1cccc(c1)C Amb17238173 [0,2,0,0,0,0|1,0,0]=3 1621 B15R1.942 CCC(=O)CCCCc1cccc(c1)Cl Amb17246784 [0,2,0,0,0,0|1,0,0]=3 1622 B15R1.942 CNC(=O)CCCOc1cccc(Br)c1 Amb22289218 [0,2,0,0,0,0|2,0,0]=4 1623 B15R1.942 Cc1cc(CCC#CC(=O)OC)ccc1 Amb24653130 [0,2,0,0,0,0|1,0,1]=4 1624 B15R1.942 Cc1cc(CCCNC(=O)CC)ccc1 Amb23089289 [0,2,0,0,0,0|1,0,0]=3 1625 B15R1.942 Cc1cc(ccc1)OCCCC(=O)NC Amb22269312 [0,2,0,0,0,0|2,0,0]=4 1626 B15R1.942 Cc1cc(ccc1)OCCNC(=O)CN Amb25388748 [0,2,0,0,0,0|2,0,0]=4 1627 B15R1.942 ClCC(=O)NCCOc1cccc(c1)C Amb2319400 [0,2,0,0,0,0|2,0,0]=4 1628 B15R1.942 O=C(CCl)NCCOc1cc(Cl)ccc1 Amb18538928 [0,2,0,0,0,0|2,0,0]=4 1629 B15R1.942 O=C(CCl)NCCOc1cccc(F)c1 Amb18538747 [0,2,0,0,0,0|2,0,0]=4 1630 B15R1.5448 CC(=O)NCCNc1cc(Cl)cc(Cl)c1 Amb18270413 [0,2,0,0,0,0|2,0,0]=4 1631 B15R1.5448 CC(=O)NCCOc1cc(C)cc(C)c1 Amb23011045 [0,2,0,0,0,0|2,0,0]=4 1632 B15R1.5448 CC(=O)NCCOc1cc(F)cc(F)c1 Amb23575693 [0,2,0,0,0,0|2,0,0]=4 1633 B15R1.5448 Cc1cc(Br)cc(c1)OCCNC(C)=O Amb23591089 [0,2,0,0,0,0|2,0,0]=4 1634 B15R1.5448 OC(=O)CCCCc1cc(O)cc(O)c1 Amb18656788 [0,2,0,0,0,0|2,0,0]=4 1635 B15R1.8273 CC(=O)NCCN(C)c1cccc(O)c1 Amb22055489 [0,2,0,0,0,0|2,0,0]=4 1636 B15R1.8300 CS(=O)(=O)NCCCc1cccc(Br)c1 Amb24241766 [0,2,0,0,0,0|2,0,0]=4 1637 B15R1.8300 CS(=O)(=O)NCCCc1cccc(F)c1 Amb19368281 [0,2,0,0,0,0|2,0,0]=4 1638 B15R1.8300 Cc1cccc(c1)OCCOS(C)(=O)=O Amb24309263 [0,2,0,0,0,0|2,0,0]=4 1639 B15R1.8448 CC(=O)NCCNc1cc(F)ccc1F Amb18270420 [0,2,0,0,0,0|2,0,0]=4 1640 B15R1.8448 CC(=O)NCCOc1cc(C)ccc1C Amb1081480 [0,2,0,0,0,0|2,0,0]=4 1641 B15R1.8448 CC(=O)NCCOc1cc(C)ccc1Cl Amb16229455 [0,2,0,0,0,0|2,0,0]=4 1642 B15R1.8448 CC(=O)NCCOc1cc(Cl)ccc1Cl Amb13950931 [0,2,0,0,0,0|2,0,0]=4 1643 B15R1.84 COc1ccccc1CCCCC(=O)C Amb17238894 [0,2,0,0,0,0|1,0,0]=3 1644 B15R1.84 COc1ccccc1CCCCC(O)=O Amb18049848 [0,2,0,0,0,0|2,0,0]=4 1645 B15R1.84 COc1ccccc1OCCNC(=O)C Amb1089434 [0,2,0,0,0,0|2,0,0]=4 1646 B15R1.256 O=C(Nc1ccccc1C)COC(=O)C Amb1649446 [0,2,0,0,0,0|1,0,1]=4 1647 B15R1.256 O=C(Nc1ccccc1F)COC(=O)C Amb1649902 [0,2,0,0,0,0|1,0,1]=4 1648 B15R1.257 CC(=O)N(CCOc1ccccc1F)C Amb15703908 [0,2,0,0,0,0|2,0,0]=4 1649 B15R1.1091 BrCC(=O)NCCOc1ccccc1Br Amb17326597 [0,2,0,0,0,0|2,0,0]=4 1650 B15R1.1091 BrCC(=O)NCCOc1ccccc1Cl Amb17330270 [0,2,0,0,0,0|2,0,0]=4 1651 B15R1.1091 CCC(=O)CCCCc1ccccc1C Amb17238169 [0,2,0,0,0,0|1,0,0]=3 1652 B15R1.1091 CCC(=O)CCCCc1ccccc1Cl Amb17246780 [0,2,0,0,0,0|1,0,0]=3 1653 B15R1.1091 CCC(=O)CCCCc1ccccc1F Amb17239883 [0,2,0,0,0,0|1,0,0]=3 1654 B15R1.1091 CCC(=O)NCCCc1ccccc1Cl Amb23364700 [0,2,0,0,0,0|1,0,0]=3 1655 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl Amb23252284 [0,2,0,0,0,0|2,0,0]=4 1656 B15R1.1091 CNC(=O)CCCOc1ccccc1Br Amb15714293 [0,2,0,0,0,0|2,0,0]=4 1657 B15R1.1091 CNC(=O)CCNCc1ccccc1Cl Amb20171988 [0,2,0,0,0,0|2,0,0]=4 1658 B15R1.1091 Cc1ccccc1OCCCC(=O)NC Amb21648298 [0,2,0,0,0,0|2,0,0]=4 1659 B15R1.5821 CC(=O)NCCCN1C=CC(C)=CC1=O Amb18378147 [0,2,0,0,0,0|2,0,0]=4 1660 B15R1.5821 Cc1cc(C)c(cc1)OCCNC(C)=O Amb19560513 [0,2,0,0,0,0|2,0,0]=4 1661 B15R1.5821 NC(=O)OCCOc1ccc(Cl)cc1Cl Amb24089505 [0,2,0,0,0,0|2,0,0]=4 1662 B15R1.8290 CC(=O)NCCOc1c(Cl)cccc1Cl Amb22524618 [0,2,0,0,0,0|2,0,0]=4 1663 B15R1.490 CC(=O)NCCS(=O)(=O)c1ccccc1 Amb11152747 [0,2,0,0,0,0|2,0,0]=4 1664 B15R1.490 CC(=O)O[Hg]CC(C)(C)c1ccccc1 Amb22347629 [0,2,0,0,0,0|1,0,0]=3 1665 B15R1.490 CC(=O)O[Hg]CC(C)(O)c1ccccc1 Amb22347595 [0,2,0,0,0,0|1,0,0]=3 1666 B15R1.490 CC(O)(CCCC(O)=O)c1ccccc1 Amb24118040 [0,2,0,0,0,0|2,0,0]=4 1667 B15R1.882 CC(=O)NCCC(=O)c1ccc(Br)cc1 Amb24086025 [0,2,0,0,0,0|1,0,1]=4 1668 B15R1.882 CC(C)=CCCC(C)c1ccc(C)cc1 Amb22171285 [0,2,0,0,0,0|2,0,0]=4 1669 B15R1.882 O=C(c1ccc(cc1)S)OCOC(=O)C Amb17616839 [0,2,0,0,0,0|1,0,1]=4 1670 B15R1.959 BrCC(=O)NCCC(c1ccccc1)C Amb17329990 [0,2,0,0,0,0|1,0,0]=3 1671 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 Amb20793667 [0,2,0,0,0,0|2,0,0]=4 1672 B15R1.959 CN(CCNC(=O)CN)c1ccccc1 Amb24770561 [0,2,0,0,0,0|2,0,0]=4 1673 B15R1.959 CNC(=O)CCNC(C)c1ccccc1 Amb20171951 [0,2,0,0,0,0|2,0,0]=4 1674 B15R1.959 CNC(=O)CSCC(C)c1ccccc1 Amb24279165 [0,2,0,0,0,0|2,0,0]=4 1675 B15R1.959 COC(=O)CCCC(O)c1ccccc1 Amb18627401 [0,2,0,0,0,0|1,0,0]=3 1676 B15R1.959 COC(=O)CCNC(C)c1ccccc1 Amb22586709 [0,2,0,0,0,0|2,0,0]=4 1677 B15R1.1078 CC(=O)OCC(=O)N(C)c1ccccc1 Amb24065160 [0,2,0,0,0,0|1,0,1]=4 1678 B15R1.9094 CC(c1ccccc1)CCNS(=O)(=O)C Amb11207142 [0,2,0,0,0,0|2,0,0]=4 1679 B15R1.9094 CS(=O)(=O)OCC[C@@H](O)c1ccccc1 Amb23437913 [0,2,0,0,0,0|1,0,0]=3 1680 B15R1.111 CC(=O)NCC(C)Sc1ccc(Br)cc1 Amb19502934 [0,2,0,0,0,0|2,0,0]=4 1681 B15R1.111 CC(=O)OCC(=O)Sc1ccc(cc1)C Amb2447235 [0,2,0,0,0,0|1,0,1]=4 1682 B15R1.111 O=C(Nc1ccc(cc1)Cl)COC(=O)C Amb1649494 [0,2,0,0,0,0|1,0,1]=4 1683 B15R1.111 O=C(Nc1ccc(cc1)I)COC(=O)C Amb2245240 [0,2,0,0,0,0|1,0,1]=4 1684 B15R1.496 CC(=O)NC(C)C(C)Oc1ccccc1 Amb24202156 [0,2,0,0,0,0|2,0,0]=4 1685 B15R1.964 CC(CNC(=O)CN)Oc1ccccc1 Amb24773149 [0,2,0,0,0,0|2,0,0]=4 1686 B15R1.964 CC(CNC(=O)CN)Sc1ccccc1 Amb24784215 [0,2,0,0,0,0|2,0,0]=4 1687 B15R1.964 CCC(=O)O\N=C(/N)\Cc1ccccc1 Amb23247786 [0,2,0,0,0,0|1,0,1]=4 1688 B15R1.964 CN(Cc1ccccc1)CCC(=O)NC Amb19558615 [0,2,0,0,0,0|2,0,0]=4 1689 B15R1.964 COC(=O)C=CC(N)Cc1ccccc1 Amb22229642 [0,2,0,0,0,0|1,0,1]=4 1690 B15R1.964 COC(=O)CCC(N)Cc1ccccc1 Amb22059181 [0,2,0,0,0,0|1,0,0]=3 1691 B15R1.964 COC(=O)NCC(O)Cc1ccccc1 Amb21941929 [0,2,0,0,0,0|1,0,0]=3 1692 B15R1.964 COC(=O)\C=C\[C@H](Cc1ccccc1)N Amb10605366 [0,2,0,0,0,0|1,0,1]=4 1693 B15R1.4008 CCN(Cc1ccccc1)CCC(=O)C Amb17403139 [0,2,0,0,0,0|2,0,0]=4 1694 B15R1.9108 CS(=O)(=O)NCC(O)Cc1ccccc1 Amb19512875 [0,2,0,0,0,0|2,0,0]=4 1695 B15R1.4 CCc1ccc(cc1)CCCCC(=O)C Amb17238179 [0,2,0,0,0,0|1,0,0]=3 1696 B15R1.4 CCc1ccc(cc1)OCCNC(=O)C Amb1098617 [0,2,0,0,0,0|2,0,0]=4 1697 B15R1.4 COc1ccc(cc1)CCCCC(=O)C Amb17238900 [0,2,0,0,0,0|1,0,0]=3 1698 B15R1.4 CSc1ccc(cc1)OCCNC(=O)C Amb10790187 [0,2,0,0,0,0|2,0,0]=4 1699 B15R1.4 O=Cc1ccc(cc1)CCCOC(=O)C Amb10560133 [0,2,0,0,0,0|0,0,0]=2 1700 B15R1.4 OC(=O)OCCCc1ccc(cc1)C=O Amb24063666 [0,2,0,0,0,0|1,0,0]=3 1701 B15R1.26 BrCC(=O)NCCOc1ccc(cc1)F Amb17330503 [0,2,0,0,0,0|2,0,0]=4 1702 B15R1.26 C=CC(=O)OCCOc1ccc(Cl)cc1 Amb17933974 [0,2,0,0,0,0|1,0,1]=4 1703 B15R1.26 CCC(=O)CCCCc1ccc(cc1)Br Amb17273846 [0,2,0,0,0,0|1,0,0]=3 1704 B15R1.26 CCC(=O)CCCCc1ccc(cc1)C Amb17238176 [0,2,0,0,0,0|1,0,0]=3 1705 B15R1.26 CCC(=O)CCCCc1ccc(cc1)Cl Amb17246787 [0,2,0,0,0,0|1,0,0]=3 1706 B15R1.26 CCC(=O)CCCCc1ccc(cc1)F Amb17239886 [0,2,0,0,0,0|1,0,0]=3 1707 B15R1.26 CCC(=O)NCCCc1ccc(Cl)cc1 Amb19455814 [0,2,0,0,0,0|1,0,0]=3 1708 B15R1.26 CCC(=O)NCCCc1ccc(F)cc1 Amb23088837 [0,2,0,0,0,0|1,0,0]=3 1709 B15R1.26 CCC(=O)NCCSc1ccc(Cl)cc1 Amb20726857 [0,2,0,0,0,0|2,0,0]=4 1710 B15R1.26 CCC(=O)NCCSc1ccc(cc1)C Amb10615450 [0,2,0,0,0,0|2,0,0]=4 1711 B15R1.26 CNC(=O)CCCOc1ccc(Cl)cc1 Amb21760339 [0,2,0,0,0,0|2,0,0]=4 1712 B15R1.26 CNC(=O)CCCSc1ccc(Br)cc1 Amb19501154 [0,2,0,0,0,0|2,0,0]=4 1713 B15R1.26 CNC(=O)CCCSc1ccc(cc1)Cl Amb17625709 [0,2,0,0,0,0|2,0,0]=4 1714 B15R1.26 CNC(=O)CCNCc1ccc(Br)cc1 Amb19451284 [0,2,0,0,0,0|2,0,0]=4 1715 B15R1.26 COC(=O)CCCCc1ccc(O)cc1 Amb22490523 [0,2,0,0,0,0|1,0,0]=3 1716 B15R1.26 COC(=O)CCCOc1ccc(N)cc1 Amb19373667 [0,2,0,0,0,0|2,0,0]=4 1717 B15R1.26 COC(=O)\C=C\CCc1ccc(F)cc1 Amb22057547 [0,2,0,0,0,0|1,0,1]=4 1718 B15R1.26 Cc1ccc(CCC#CC(=O)OC)cc1 Amb25737671 [0,2,0,0,0,0|1,0,1]=4 1719 B15R1.26 Cc1ccc(CCCNC(=O)CC)cc1 Amb23094546 [0,2,0,0,0,0|1,0,0]=3 1720 B15R1.26 Cc1ccc(cc1)SCCNC(=O)CN Amb25388745 [0,2,0,0,0,0|2,0,0]=4 1721 B15R1.26 ClCC(=O)NCCOc1ccc(cc1)Cl Amb1092251 [0,2,0,0,0,0|2,0,0]=4 1722 B15R1.26 ClCC(=O)NCCSc1ccc(cc1)Cl Amb1657361 [0,2,0,0,0,0|2,0,0]=4 1723 B15R1.26 NCC(=O)NCCSc1ccc(Cl)cc1 Amb25388750 [0,2,0,0,0,0|2,0,0]=4 1724 B15R1.26 O=C(CCl)NCCOc1ccc(F)cc1 Amb18538748 [0,2,0,0,0,0|2,0,0]=4 1725 B15R1.112 CC(=O)N(C)CCOc1ccc(Br)cc1 Amb22285384 [0,2,0,0,0,0|2,0,0]=4 1726 B15R1.112 CC(=O)N(C)CCOc1ccc(Cl)cc1 Amb22285385 [0,2,0,0,0,0|2,0,0]=4 1727 B15R1.112 CN(C(=O)C)CCOc1ccc(cc1)N Amb17131788 [0,2,0,0,0,0|2,0,0]=4 1728 B15R1.909 CS(=O)(=O)OCCCc1ccc(Cl)cc1 Amb22727886 [0,2,0,0,0,0|1,0,0]=3 1729 B15R1.909 CS(=O)(=O)OCCOc1ccc(Br)cc1 Amb19930099 [0,2,0,0,0,0|2,0,0]=4 1730 B15R1.741 CC(CCc1ccccc1)NC(=O)CN Amb24770585 [0,2,0,0,0,0|1,0,0]=3 1731 B15R1.741 CCC(=O)NC(C)COc1ccccc1 Amb19558448 [0,2,0,0,0,0|2,0,0]=4 1732 B15R1.741 CNC(=O)CC(C)NCc1ccccc1 Amb24517876 [0,2,0,0,0,0|2,0,0]=4 1733 B15R1.741 CNC(=O)C[C@@H](N)CSc1ccccc1 Amb22746582 [0,2,0,0,0,0|2,0,0]=4 1734 B15R1.741 CNC(=O)NC(CCc1ccccc1)C Amb11258719 [0,2,0,0,0,0|1,0,0]=3 1735 B15R1.741 COC(=O)C[C@@H](C)OCc1ccccc1 Amb22746492 [0,2,0,0,0,0|2,0,0]=4 1736 B15R1.741 ClCC(=O)NC(CCc1ccccc1)C Amb1644306 [0,2,0,0,0,0|1,0,0]=3 1737 B15R1.778 CCCC(=O)CCOCc1ccccc1 Amb25227588 [0,2,0,0,0,0|2,0,0]=4 1738 B15R1.778 CCCC(=O)NCCOc1ccccc1 Amb13955603 [0,2,0,0,0,0|2,0,0]=4 1739 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 Amb24323618 [0,2,0,0,0,0|0,0,2]=4 1740 B15R1.778 CCCC(=O)OCCCc1ccccc1 Amb22732786 [0,2,0,0,0,0|0,0,0]=2 1741 B15R1.778 CCCC(=O)OCCOc1ccccc1 Amb21964300 [0,2,0,0,0,0|1,0,0]=3 1742 B15R1.778 CCNC(=O)CCNCc1ccccc1 Amb20171948 [0,2,0,0,0,0|2,0,0]=4 1743 B15R1.778 CCNC(=O)CCSCc1ccccc1 Amb20226710 [0,2,0,0,0,0|2,0,0]=4 1744 B15R1.778 CCNC(=O)NCCOc1ccccc1 Amb11223918 [0,2,0,0,0,0|2,0,0]=4 1745 B15R1.778 CCNC(=O)NCCSc1ccccc1 Amb11266459 [0,2,0,0,0,0|2,0,0]=4 1746 B15R1.778 CCOC(=O)CCCNc1ccccc1 Amb22540438 [0,2,0,0,0,0|2,0,0]=4 1747 B15R1.778 CCOC(=O)CCCOc1ccccc1 Amb22730739 [0,2,0,0,0,0|2,0,0]=4 1748 B15R1.778 CCOC(=O)CCCSc1ccccc1 Amb19888704 [0,2,0,0,0,0|2,0,0]=4 1749 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb1930738 [0,2,0,0,0,0|2,0,0]=4 1750 B15R1.778 CCOC(=O)NNCCc1ccccc1 Amb24103548 [0,2,0,0,0,0|2,0,0]=4 1751 B15R1.778 CCOC(=O)\C=C\CCc1ccccc1 Amb10067182 [0,2,0,0,0,0|1,0,1]=4 1752 B15R1.778 CNCC(=O)NCCCc1cccc[n]1 Amb25399183 [0,2,0,0,0,0|2,0,0]=4 1753 B15R1.778 CNCC(=O)NCCCc1ccccc1 Amb24115171 [0,2,0,0,0,0|1,0,0]=3 1754 B15R1.778 CNCC(=O)NCCCc1ccccc1 Amb25388739 [0,2,0,0,0,0|1,0,0]=3 1755 B15R1.778 CNCC(=O)NCCOc1ccccc1 Amb25388737 [0,2,0,0,0,0|2,0,0]=4 1756 B15R1.778 CNCC(=O)NCCSc1ccccc1 Amb25388751 [0,2,0,0,0,0|2,0,0]=4 1757 B15R1.778 COCC(=O)NCCOc1ccccc1 Amb22269560 [0,2,0,0,0,0|2,0,0]=4 1758 B15R1.778 COCC(=O)NCCSc1ccccc1 Amb10616365 [0,2,0,0,0,0|2,0,0]=4 1759 B15R1.778 CONC(=O)CCNCc1ccccc1 Amb25370472 [0,2,0,0,0,0|2,0,0]=4 1760 B15R1.778 CONC(=O)NCCCc1ccccc1 Amb11298270 [0,2,0,0,0,0|1,0,0]=3 1761 B15R1.778 CONC(=O)NCCSc1ccccc1 Amb11298295 [0,2,0,0,0,0|2,0,0]=4 1762 B15R1.778 CSCC(=O)NCCCc1ccccc1 Amb15701829 [0,2,0,0,0,0|1,0,0]=3 1763 B15R1.778 CSCC(=O)NCCSc1ccccc1 Amb21625137 [0,2,0,0,0,0|2,0,0]=4 1764 B15R1.778 ClCCC(=O)NCCOc1ccccc1 Amb17326988 [0,2,0,0,0,0|2,0,0]=4 1765 B15R1.778 ClCCC(=O)NCCSc1ccccc1 Amb10975200 [0,2,0,0,0,0|2,0,0]=4 1766 B15R1.778 N#CCC(=O)CCOCc1ccccc1 Amb22754626 [0,2,0,0,0,0|2,0,0]=4 1767 B15R1.778 N#CCC(=O)NCCCc1ccccc1 Amb1948524 [0,2,0,0,0,0|1,0,0]=3 1768 B15R1.778 N#CCC(=O)OCCCc1ccccc1 Amb17210530 [0,2,0,0,0,0|0,0,0]=2 1769 B15R1.778 N#CCC(=O)OCCOc1ccccc1 Amb17210529 [0,2,0,0,0,0|1,0,0]=3 1770 B15R1.778 NCCC(=O)CCOCc1ccccc1 Amb24442130 [0,2,0,0,0,0|2,0,0]=4 1771 B15R1.778 NCCC(=O)NCCOc1ccccc1 Amb17239848 [0,2,0,0,0,0|2,0,0]=4 1772 B15R1.778 NCCC(=O)NCCOc1ccccc1 Amb24771520 [0,2,0,0,0,0|2,0,0]=4 1773 B15R1.778 O=C(CCBr)OCCCc1ccccc1 Amb24094183 [0,2,0,0,0,0|0,0,0]=2 1774 B15R1.1321 CCC(=O)C(C)CNCc1ccccc1 Amb25104862 [0,2,0,0,0,0|2,0,0]=4 1775 B15R1.1321 CCC(=O)C(C)COCc1ccccc1 Amb25307969 [0,2,0,0,0,0|2,0,0]=4 1776 B15R1.1321 CCC(=O)N(C)CCOc1ccccc1 Amb22265725 [0,2,0,0,0,0|2,0,0]=4 1777 B15R1.1321 CNC(=O)C(=O)NCCc1ccccc1 Amb1859441 [0,2,0,0,0,0|2,0,0]=4 1778 B15R1.1321 CNC(=O)C(N)COCc1ccccc1 Amb25324606 [0,2,0,0,0,0|2,0,0]=4 1779 B15R1.1321 CNC(=O)C(O)COCc1ccccc1 Amb24581273 [0,2,0,0,0,0|2,0,0]=4 1780 B15R1.1321 CNC(=O)[C@@H](N)COCc1ccccc1 Amb25743410 [0,2,0,0,0,0|2,0,0]=4 1781 B15R1.1321 COC(=O)C(Br)CNCc1ccccc1 Amb25282020 [0,2,0,0,0,0|2,0,0]=4 1782 B15R1.1321 COC(=O)C(Cl)CNCc1ccccc1 Amb25781045 [0,2,0,0,0,0|2,0,0]=4 1783 B15R1.1321 COC(=O)C(F)CNCc1ccccc1 Amb24625914 [0,2,0,0,0,0|2,0,0]=4 1784 B15R1.1321 COC(=O)C(N)COCc1ccccc1 Amb24081016 [0,2,0,0,0,0|2,0,0]=4 1785 B15R1.1321 COC(=O)C(O)CNCc1ccccc1 Amb25303504 [0,2,0,0,0,0|2,0,0]=4 1786 B15R1.1321 COC(=O)C(O)COCc1ccccc1 Amb22641879 [0,2,0,0,0,0|2,0,0]=4 1787 B15R1.1321 COC(=O)[C@@H](COCc1ccccc1)O Amb17617212 [0,2,0,0,0,0|2,0,0]=4 1788 B15R1.1321 COC(=O)[C@@H](N)COCc1ccccc1 Amb22746151 [0,2,0,0,0,0|2,0,0]=4 1789 B15R1.1321 COC(=O)[C@@H](N)CSCc1ccccc1 Amb19944285 [0,2,0,0,0,0|2,0,0]=4 1790 B15R1.1321 COC(=O)[C@H](COCc1ccccc1)N Amb10844864 [0,2,0,0,0,0|2,0,0]=4 1791 B15R1.1321 COC(=O)[C@H](CSCc1ccccc1)N Amb16183933 [0,2,0,0,0,0|2,0,0]=4 1792 B15R1.1321 COC(=O)[C@H](N)COCc1ccccc1 Amb25121188 [0,2,0,0,0,0|2,0,0]=4 1793 B15R1.1321 ClCC(=O)N(CCOc1ccccc1)C Amb17331635 [0,2,0,0,0,0|2,0,0]=4 1794 B15R1.1321 NCC(=O)N(CCOc1ccccc1)C Amb17239847 [0,2,0,0,0,0|2,0,0]=4 1795 B15R1.1321 OCC(=O)[C@@H](O)CNCc1ccccc1 Amb25800014 [0,2,0,0,0,0|2,0,0]=4 1796 B15R1.5336 CC(=O)O[C@H](CCc1ccccc1)C#N Amb22225168 [0,2,0,0,0,0|0,0,0]=2 1797 B15R1.12240 CC(=O)CC(C)(C)NCc1ccccc1 Amb25274563 [0,2,0,0,0,0|2,0,0]=4 1798 B15R1.9012 OC(=O)C(CCCc1ccccc1)(C)C Amb17239009 [0,2,0,0,0,0|2,0,0]=4 1799 B13R1.18 C=C\C=C\C(=O)C1CC(=O)CCC1 Amb24558345 [0,0,1,1,0,0|2,0,0]=4 1800 B13R2.1 CCNC1CCc2c1cccc2 Amb10610131 [1,0,0,1,0,0|1,0,1]=4 1801 B13R2.1 CCOC1OCc2ccccc21 Amb25088972 [1,0,0,1,0,0|1,0,1]=4 1802 B13R2.1 CNCC1CCc2c1cccc2 Amb17470428 [1,0,0,1,0,0|2,0,0]=4 1803 B13R2.1 CSCC1CCc2ccccc21 Amb25307253 [1,0,0,1,0,0|2,0,0]=4 1804 B13R2.1 O=C=N[C@@H]1CCc2ccccc21 Amb22042697 [1,0,0,1,0,0|1,0,1]=4 1805 B13R2.1 O=C=N[C@H]1CCc2c1cccc2 Amb10807458 [1,0,0,1,0,0|1,0,1]=4 1806 B13R2.1 O=CCN1CCc2ccccc12 Amb18800519 [1,0,0,1,0,0|2,0,0]=4 1807 B13R2.1 O=CNC1CCc2ccccc21 Amb24532589 [1,0,0,1,0,0|1,0,0]=3 1808 B13R2.1 O=C\C=C/1\CCc2ccccc21 Amb24617753 [1,0,0,1,0,0|1,0,1]=4 1809 B13R2.3 C1C=CCC(N1)c2ccccc2 Amb25827021 [1,0,0,1,0,0|2,0,0]=4 1810 B13R2.3 C1C=CCC(O1)c2ccccc2 Amb25276707 [1,0,0,1,0,0|2,0,0]=4 1811 B13R2.3 C1C=CCCC1c2ccccc2 Amb22731850 [1,0,0,1,0,0|1,0,0]=3 1812 B13R2.3 C1C=CC[C@H](N1)c2ccccc2 Amb25047356 [1,0,0,1,0,0|2,0,0]=4 1813 B13R2.3 C1CC(C=CN1)c2ccccc2 Amb25374926 [1,0,0,1,0,0|1,0,1]=4 1814 B13R2.3 C1CC(C=C[NH2+]1)c2ccccc2 Amb24080270 [1,0,0,1,0,0|1,0,1]=4 1815 B13R2.3 C1CC(CCN1)c2ccccc2 Amb22491685 [1,0,0,1,0,0|1,0,1]=4 1816 B13R2.3 C1CC(CCO1)c2c[n]ccc2 Amb24320765 [1,0,0,1,0,0|1,0,1]=4 1817 B13R2.3 C1CC(CCO1)c2ccccc2 Amb21856446 [1,0,0,1,0,0|0,0,1]=3 1818 B13R2.3 C1CCC(CN1)c2ccccc2 Amb1995213 [1,0,0,1,0,0|2,0,0]=4 1819 B13R2.3 C1CCC(CN1)c2ccccc2 Amb2236473 [1,0,0,1,0,0|2,0,0]=4 1820 B13R2.3 C1CCC(CS1)c2ccccc2 Amb16764110 [1,0,0,1,0,0|2,0,0]=4 1821 B13R2.3 C1CN(CCO1)c2ccccc2 Amb24070610 [1,0,0,1,0,0|1,0,1]=4 1822 B13R2.3 C1NCCC[C@@H]1c2ccccc2 Amb19888168 [1,0,0,1,0,0|2,0,0]=4 1823 B13R2.3 C1NCCC[C@@H]1c2ccccc2 Amb22755507 [1,0,0,1,0,0|2,0,0]=4 1824 B13R2.3 C1NCCC[C@H]1c2ccccc2 Amb19888364 [1,0,0,1,0,0|2,0,0]=4 1825 B13R2.3 C1O[C@@H](CCO1)c2ccccc2 Amb22226715 [1,0,0,1,0,0|0,0,2]=4 1826 B13R2.3 N1CCC(CC1)c2ccccc2 Amb1019521 [1,0,0,1,0,0|1,0,1]=4 1827 B13R2.3 N1CCC(CC1)c2ccccc2 Amb2099643 [1,0,0,1,0,0|1,0,1]=4 1828 B13R2.3 O1CCC(CC1)c2ccccn2 Amb10573557 [1,0,0,1,0,0|1,0,1]=4 1829 B13R2.3 O1CCN(CC1)c2ccccc2 Amb1019547 [1,0,0,1,0,0|1,0,1]=4 1830 B13R2.15 CC1NCCC1c2ccccc2 Amb18279882 [1,0,0,1,0,0|1,0,1]=4 1831 B13R2.15 CN1CCC[C@@H]1c2ccccc2 Amb25817229 [1,0,0,1,0,0|2,0,0]=4 1832 B13R2.15 C[C@H]1NCC[C@H]1c2ccccc2 Amb24607383 [1,0,0,1,0,0|1,0,1]=4 1833 B13R2.15 N=C1OCCC1c2ccccc2 Amb25140934 [1,0,0,1,0,0|1,0,0]=3 1834 B13R2.15 O=C1C=CCC1c2ccccc2 Amb24520656 [1,0,0,1,0,0|1,0,1]=4 1835 B13R2.15 O=C1CCCC1c2ccc[n]c2 Amb18797977 [1,0,0,1,0,0|2,0,0]=4 1836 B13R2.15 O=C1CCCC1c2ccccc2 Amb17940271 [1,0,0,1,0,0|1,0,0]=3 1837 B13R2.15 O=C1CCNC1c2ccccc2 Amb18829957 [1,0,0,1,0,0|2,0,0]=4 1838 B13R2.15 O=C1CCNC1c2ccccc2 Amb22901061 [1,0,0,1,0,0|2,0,0]=4 1839 B13R2.15 O=C1COCC1c2ccccc2 Amb23590154 [1,0,0,1,0,0|2,0,0]=4 1840 B13R2.15 O=C1NCCC1c2cc[n]cc2 Amb25070544 [1,0,0,1,0,0|2,0,0]=4 1841 B13R2.15 O=C1NCCC1c2ccc[n]c2 Amb24393400 [1,0,0,1,0,0|2,0,0]=4 1842 B13R2.15 O=C1NCCC1c2ccccc2 Amb17400090 [1,0,0,1,0,0|1,0,0]=3 1843 B13R2.15 O=C1NCSC1c2ccccc2 Amb24600018 [1,0,0,1,0,0|2,0,0]=4 1844 B13R2.15 O=C1OC=NC1c2ccccc2 Amb24661677 [1,0,0,1,0,0|1,0,1]=4 1845 B13R2.15 O=C1OCCC1c2cc[n]cc2 Amb22757401 [1,0,0,1,0,0|1,0,0]=3 1846 B13R2.15 O=C1OCCC1c2ccc[n]c2 Amb22757403 [1,0,0,1,0,0|1,0,0]=3 1847 B13R2.15 O=C1OCCC1c2cccc[n]2 Amb22757402 [1,0,0,1,0,0|1,0,0]=3 1848 B13R2.15 O=C1OCCC1c2ccccc2 Amb10606603 [1,0,0,1,0,0|0,0,0]=2 1849 B13R2.15 O=C1OCCN1c2cc[n]cc2 Amb24364749 [1,0,0,1,0,0|2,0,0]=4 1850 B13R2.15 O=C1OCOC1c2ccccc2 Amb24497607 [1,0,0,1,0,0|1,0,0]=3 1851 B13R2.15 O=C1SCCN1c2ccccc2 Amb1771171 [1,0,0,1,0,0|1,1,0]=4 1852 B13R2.15 OC1OCCC1c2ccccc2 Amb22752503 [1,0,0,1,0,0|0,0,2]=4 1853 B13R2.15 S=C1NCCC1c2ccccc2 Amb25194723 [1,0,0,1,0,0|1,1,0]=4 1854 B13R2.25 CCNC1CC1c2ccccc2 Amb18983170 [1,0,0,1,0,0|1,0,1]=4 1855 B13R2.25 CNCC1CC1c2ccccc2 Amb17568106 [1,0,0,1,0,0|2,0,0]=4 1856 B13R2.25 CNC[C@@H]1CC1c2ccccc2 Amb17605573 [1,0,0,1,0,0|2,0,0]=4 1857 B13R2.25 CNC[C@H]1C[C@@H]1c2ccccc2 Amb24519290 [1,0,0,1,0,0|2,0,0]=4 1858 B13R2.25 O=C=NC1CC1c2ccccc2 Amb17232284 [1,0,0,1,0,0|1,0,1]=4 1859 B13R2.25 O=CNC1CC1c2ccccc2 Amb25294994 [1,0,0,1,0,0|1,0,0]=3 1860 B13R2.27 CC1NCC1Cc2ccccc2 Amb25149817 [1,0,0,1,0,0|1,0,1]=4 1861 B13R2.27 O=C1CCN1Cc2ccccc2 Amb25117461 [1,0,0,1,0,0|2,0,0]=4 1862 B13R2.27 O=C1CC[C@@H]1Cc2ccccc2 Amb25792997 [1,0,0,1,0,0|1,0,0]=3 1863 B13R2.27 O=C1NCC1Sc2ccccc2 Amb25084609 [1,0,0,1,0,0|2,0,0]=4 1864 B13R2.27 O=C1NC[C@@H]1Cc2ccccc2 Amb24711591 [1,0,0,1,0,0|1,0,0]=3 1865 B13R2.27 O=C1NC[C@H]1Sc2ccccc2 Amb24497005 [1,0,0,1,0,0|2,0,0]=4 1866 B13R2.50 O=CC1CC1Cc2ccccc2 Amb24537604 [1,0,0,1,0,0|1,0,0]=3 1867 B13R2.50 O=CC1CC1Oc2ccccc2 Amb24706810 [1,0,0,1,0,0|2,0,0]=4 1868 B13R2.50 O=CC1CC1Sc2ccccc2 Amb25707469 [1,0,0,1,0,0|2,0,0]=4 1869 B13R2.56 CN[C@@H]1CC[C@H]1c2ccccc2 Amb25339675 [1,0,0,1,0,0|2,0,0]=4 1870 B13R2.64 C(C1CCCC1)c2ccccc2 Amb25116668 [1,0,0,1,0,0|1,0,1]=4 1871 B13R2.64 C1N=CNC1Cc2ccccc2 Amb25201736 [1,0,0,1,0,0|2,0,0]=4 1872 B13R2.64 C1NC(CO1)Cc2ccccc2 Amb18563410 [1,0,0,1,0,0|1,0,1]=4 1873 B13R2.64 C1NCCC1Cc2ccccc2 Amb24097496 [1,0,0,1,0,0|1,0,1]=4 1874 B13R2.64 C1NCC[C@@H]1Cc2ccccc2 Amb24484248 [1,0,0,1,0,0|1,0,1]=4 1875 B13R2.64 C1OCCC1Nc2ccccc2 Amb25310936 [1,0,0,1,0,0|1,0,1]=4 1876 B13R2.64 C1OCCC1Oc2ccccc2 Amb24713722 [1,0,0,1,0,0|1,0,1]=4 1877 B13R2.64 C1OCCN1Cc2ccccc2 Amb22229191 [1,0,0,1,0,0|1,0,1]=4 1878 B13R2.1028 CCCCC1Cc2ccccc12 Amb17758498 [1,0,0,1,0,0|1,0,1]=4 1879 B13R2.1028 CCNCC1Cc2ccccc21 Amb18289168 [1,0,0,1,0,0|1,0,1]=4 1880 B13R2.1028 CNCCC1Cc2ccccc21 Amb25723615 [1,0,0,1,0,0|2,0,0]=4 1881 B13R2.1028 CONCC1Cc2ccccc21 Amb24725780 [1,0,0,1,0,0|2,0,0]=4 1882 B13R2.1028 O=C=NCC1Cc2ccccc21 Amb25067184 [1,0,0,1,0,0|1,0,1]=4 1883 B13R2.1613 CCN1CCCc2c1cccc2 Amb15691608 [1,0,0,1,0,0|1,0,1]=4 1884 B13R2.1613 CN[C@@H]1CCCc2ccccc21 Amb20241467 [1,0,0,1,0,0|2,0,0]=4 1885 B13R2.1613 CN[C@H]1CCCc2ccccc21 Amb20241521 [1,0,0,1,0,0|2,0,0]=4 1886 B13R2.1613 COC1CCCc2c1cccc2 Amb2228261 [1,0,0,1,0,0|2,0,0]=4 1887 B13R2.1613 CSC1CCCc2ccccc21 Amb24575820 [1,0,0,1,0,0|2,0,0]=4 1888 B13R2.1613 C\C=C/1\NCCc2ccccc21 Amb25124113 [1,0,0,1,0,0|2,0,0]=4 1889 B13R2.1613 Cl\C=C/1\CCCc2ccccc21 Amb24692679 [1,0,0,1,0,0|2,0,0]=4 1890 B13R2.1613 O=CC1=CCCc2ccccc21 Amb18645053 [1,0,0,1,0,0|1,0,1]=4 1891 B13R2.1613 O=CC1CCCc2ccccc21 Amb18787961 [1,0,0,1,0,0|1,0,0]=3 1892 B13R2.1613 O=CC1CCOc2ccccc21 Amb20622857 [1,0,0,1,0,0|2,0,0]=4 1893 B13R2.1613 O=CC1OCCc2ccccc21 Amb18645642 [1,0,0,1,0,0|2,0,0]=4 1894 B13R2.1613 O=CC1SCCc2ccccc21 Amb18648147 [1,0,0,1,0,0|2,0,0]=4 1895 B13R2.1613 O=CN1CCNc2ccccc12 Amb24595466 [1,0,0,1,0,0|2,0,0]=4 1896 B13R2.1613 O=CN1CCSc2ccccc12 Amb24613245 [1,0,0,1,0,0|2,0,0]=4 1897 B13R2.2383 C1NCC1CCc2ccccc2 Amb25266065 [1,0,0,1,0,0|2,0,0]=4 1898 B13R2.5252 C=C1CCCCc2ccccc21 Amb23400875 [1,0,0,1,0,0|1,0,1]=4 1899 B13R2.5252 CC1=NCCSc2ccccc21 Amb25241838 [1,0,0,1,0,0|2,0,0]=4 1900 B13R2.5252 CC1NCCCc2ccccc21 Amb25685960 [1,0,0,1,0,0|1,0,1]=4 1901 B13R2.5252 C[C@H]1NCCCc2ccccc21 Amb24451232 [1,0,0,1,0,0|1,0,1]=4 1902 B13R2.5252 NC1=NCCCc2ccccc21 Amb24382490 [1,0,0,1,0,0|2,0,0]=4 1903 B13R2.5252 O=C1CCCCc2[n]cccc21 Amb25756978 [1,0,0,1,0,0|2,0,0]=4 1904 B13R2.5252 O=C1CCCCc2c1cccc2 Amb1208402 [1,0,0,1,0,0|1,0,0]=3 1905 B13R2.5252 O=C1CCCCc2c[n]ccc21 Amb24738433 [1,0,0,1,0,0|2,0,0]=4 1906 B13R2.5252 O=C1CCCNc2c1cccc2 Amb17621762 [1,0,0,1,0,0|2,0,0]=4 1907 B13R2.5252 O=C1CCCSc2c1cccc2 Amb2413576 [1,0,0,1,0,0|2,0,0]=4 1908 B13R2.5252 O=C1CCNCc2ccccc21 Amb22499160 [1,0,0,1,0,0|2,0,0]=4 1909 B13R2.5252 O=C1CCOCc2ccccc21 Amb24381288 [1,0,0,1,0,0|2,0,0]=4 1910 B13R2.5252 O=C1CSCCc2ccccc21 Amb20668935 [1,0,0,1,0,0|2,0,0]=4 1911 B13R2.5252 O=C1NCCCc2c1cccc2 Amb17470422 [1,0,0,1,0,0|1,0,0]=3 1912 B13R2.5252 O=C1NCCCc2cc[n]cc21 Amb24497162 [1,0,0,1,0,0|2,0,0]=4 1913 B13R2.5252 O=C1NCCCc2ccc[n]c21 Amb25060164 [1,0,0,1,0,0|2,0,0]=4 1914 B13R2.5252 O=C1NCCNc2ccccc21 Amb19958708 [1,0,0,1,0,0|2,0,0]=4 1915 B13R2.5252 O=C1NCCOc2c1cccc2 Amb2445337 [1,0,0,1,0,0|2,0,0]=4 1916 B13R2.5252 O=C1OCCCc2ccccc21 Amb24415736 [1,0,0,1,0,0|0,0,0]=2 1917 B13R2.5252 O=C1ONCNc2ccccc21 Amb23313783 [1,0,0,1,0,0|2,0,0]=4 1918 B13R2.5252 O=C1ONCNc2ccccc21 Amb23313784 [1,0,0,1,0,0|2,0,0]=4 1919 B13R2.5252 O=S1CCCCc2ccccc12 Amb25300750 [1,0,0,1,0,0|2,0,0]=4 1920 B13R2.5252 OC1OCCCc2ccccc21 Amb24488564 [1,0,0,1,0,0|0,0,2]=4 1921 B13R2.10589 C1CCCCCc2ccc1cc2 Amb24713554 [1,0,0,1,0,0|1,0,1]=4 1922 B13R2.10 C=C1COC(C1)c2ccccc2 Amb25692265 [0,0,0,1,1,0|2,0,0]=4 1923 B13R2.10 CC1=NC(CO1)c2ccccc2 Amb24754160 [0,0,0,1,1,0|1,0,0]=3 1924 B13R2.10 CC1N[C@H](CO1)c2ccccc2 Amb25150915 [0,0,0,1,1,0|1,0,1]=4 1925 B13R2.10 CC=1CNC(C1)c2ccccc2 Amb24727039 [0,0,0,1,1,0|2,0,0]=4 1926 B13R2.10 CC=1COC(C1)c2ccccc2 Amb25174191 [0,0,0,1,1,0|2,0,0]=4 1927 B13R2.10 CN1CCC(O1)c2ccccc2 Amb22304711 [0,0,0,1,1,0|1,0,1]=4 1928 B13R2.10 C[C@@H]1CC[C@H](N1)c2ccccc2 Amb24627148 [0,0,0,1,1,0|1,0,1]=4 1929 B13R2.10 C[C@H]1CC[C@H](N1)c2ccccc2 Amb24519292 [0,0,0,1,1,0|1,0,1]=4 1930 B13R2.10 N=C1CC(CN1)c2ccccc2 Amb25363924 [0,0,0,1,1,0|2,0,0]=4 1931 B13R2.10 N=C1N[C@H](CO1)c2ccccc2 Amb25326051 [0,0,0,1,1,0|2,0,0]=4 1932 B13R2.10 NC1=NC(CO1)c2ccccc2 Amb17619912 [0,0,0,1,1,0|2,0,0]=4 1933 B13R2.10 NC1CCC(C1)c2ccccc2 Amb17400101 [0,0,0,1,1,0|1,0,1]=4 1934 B13R2.10 NC=1CCC(N1)c2ccccc2 Amb24391515 [0,0,0,1,1,0|2,0,0]=4 1935 B13R2.10 O=C1C=C(CO1)c2ccccc2 Amb24633865 [0,0,0,1,1,0|0,0,2]=4 1936 B13R2.10 O=C1CC(=CO1)c2ccccc2 Amb25697090 [0,0,0,1,1,0|0,0,2]=4 1937 B13R2.10 O=C1CC(CC1)c2c[n]c[n]c2 Amb25233832 [0,0,0,1,1,0|2,0,0]=4 1938 B13R2.10 O=C1CC(CC1)c2c[n]cc[n]2 Amb24413348 [0,0,0,1,1,0|2,0,0]=4 1939 B13R2.10 O=C1CCC(=C1)c2ccccc2 Amb10669546 [0,0,0,1,1,0|0,0,2]=4 1940 B13R2.10 O=C1CCC(C1)c2ccccc2 Amb17138497 [0,0,0,1,1,0|0,0,0]=2 1941 B13R2.10 O=C1CCC(C1)c2ccccn2 Amb17138526 [0,0,0,1,1,0|1,0,0]=3 1942 B13R2.10 O=C1CCC(C1)c2cccnc2 Amb17138527 [0,0,0,1,1,0|1,0,0]=3 1943 B13R2.10 O=C1CCC(C1)c2ccncc2 Amb17138528 [0,0,0,1,1,0|1,0,0]=3 1944 B13R2.10 O=C1CCC(N1)c2cccc[n]2 Amb25237487 [0,0,0,1,1,0|2,0,0]=4 1945 B13R2.10 O=C1CCC(N1)c2ccccc2 Amb17470413 [0,0,0,1,1,0|1,0,0]=3 1946 B13R2.10 O=C1CCC(N1)c2cccnc2 Amb17618670 [0,0,0,1,1,0|2,0,0]=4 1947 B13R2.10 O=C1CCC(O1)c2cccnc2 Amb17619714 [0,0,0,1,1,0|2,0,0]=4 1948 B13R2.10 O=C1CC[C@@H](N1)c2ccc[n]c2 Amb25233097 [0,0,0,1,1,0|2,0,0]=4 1949 B13R2.10 O=C1CN(CC1)c2cc[n]cc2 Amb23449311 [0,0,0,1,1,0|2,0,0]=4 1950 B13R2.10 O=C1CN(CN1)c2ccccc2 Amb24079614 [0,0,0,1,1,0|2,0,0]=4 1951 B13R2.10 O=C1CN(NO1)c2ccccc2 Amb25736264 [0,0,0,1,1,0|2,0,0]=4 1952 B13R2.10 O=C1CNC(C1)c2ccccc2 Amb23437185 [0,0,0,1,1,0|1,0,0]=3 1953 B13R2.10 O=C1CNC(N1)c2ccccc2 Amb24342220 [0,0,0,1,1,0|2,0,0]=4 1954 B13R2.10 O=C1COC(C1)c2ccccc2 Amb25830079 [0,0,0,1,1,0|1,0,0]=3 1955 B13R2.10 O=C1COC(N1)c2ccccc2 Amb25766459 [0,0,0,1,1,0|2,0,0]=4 1956 B13R2.10 O=C1CO[C@@H](N1)c2ccccc2 Amb24366993 [0,0,0,1,1,0|2,0,0]=4 1957 B13R2.10 O=C1CSC(C1)c2ccccc2 Amb25702041 [0,0,0,1,1,0|1,0,0]=3 1958 B13R2.10 O=C1CSC(N1)c2ccccc2 Amb2221753 [0,0,0,1,1,0|2,0,0]=4 1959 B13R2.10 O=C1CSC(O1)c2ccccc2 Amb25793869 [0,0,0,1,1,0|2,0,0]=4 1960 B13R2.10 O=C1C[C@@H](CC1)c2ccccc2 Amb24323281 [0,0,0,1,1,0|0,0,0]=2 1961 B13R2.10 O=C1C[C@@H](CN1)c2ccccc2 Amb23401452 [0,0,0,1,1,0|1,0,0]=3 1962 B13R2.10 O=C1C[C@H](CC1)c2ccccc2 Amb24484347 [0,0,0,1,1,0|0,0,0]=2 1963 B13R2.10 O=C1C[C@H](CN1)c2ccccc2 Amb25277165 [0,0,0,1,1,0|1,0,0]=3 1964 B13R2.10 O=C1NC(CS1)c2ccccc2 Amb23439132 [0,0,0,1,1,0|1,1,0]=4 1965 B13R2.10 O=C1NCC(C1)c2ccccc2 Amb1772919 [0,0,0,1,1,0|1,0,0]=3 1966 B13R2.10 O=C1NCC(C1)c2ccccn2 Amb13952281 [0,0,0,1,1,0|2,0,0]=4 1967 B13R2.10 O=C1NCC(C1)c2cccnc2 Amb13783612 [0,0,0,1,1,0|2,0,0]=4 1968 B13R2.10 O=C1NCC(C1)c2ccncc2 Amb17400108 [0,0,0,1,1,0|2,0,0]=4 1969 B13R2.10 O=C1NCC(N1)c2ccccc2 Amb22056050 [0,0,0,1,1,0|2,0,0]=4 1970 B13R2.10 O=C1NCC(O1)c2ccccc2 Amb16232576 [0,0,0,1,1,0|2,0,0]=4 1971 B13R2.10 O=C1NC[C@@H](N1)c2ccccc2 Amb24568910 [0,0,0,1,1,0|2,0,0]=4 1972 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 Amb22338660 [0,0,0,1,1,0|2,0,0]=4 1973 B13R2.10 O=C1NC[C@H](N1)c2ccccc2 Amb25054081 [0,0,0,1,1,0|2,0,0]=4 1974 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 Amb24574681 [0,0,0,1,1,0|2,0,0]=4 1975 B13R2.10 O=C1NC[C@H](S1)c2ccccc2 Amb25246623 [0,0,0,1,1,0|2,0,0]=4 1976 B13R2.10 O=C1N[C@@H](CO1)c2cc[n]cc2 Amb24731875 [0,0,0,1,1,0|2,0,0]=4 1977 B13R2.10 O=C1N[C@@H](CS1)c2ccccc2 Amb24653499 [0,0,0,1,1,0|1,1,0]=4 1978 B13R2.10 O=C1N[C@H](CO1)c2ccc[n]c2 Amb25159332 [0,0,0,1,1,0|2,0,0]=4 1979 B13R2.10 O=C1SSC(C1)c2ccccc2 Amb16757360 [0,0,0,1,1,0|1,1,0]=4 1980 B13R2.10 OC1CC(CO1)c2ccccc2 Amb22752509 [0,0,0,1,1,0|0,0,2]=4 1981 B13R2.10 OC1CCC(C1)c2ccccc2 Amb17400115 [0,0,0,1,1,0|0,0,2]=4 1982 B13R2.10 OC1C[C@H](CO1)c2ccccc2 Amb25712077 [0,0,0,1,1,0|0,0,2]=4 1983 B13R2.10 OC=1CC(CN1)c2ccccc2 Amb19866679 [0,0,0,1,1,0|1,0,1]=4 1984 B13R2.31 NC1CC(Cc2ccccc2)C1 Amb23401475 [0,0,0,1,1,0|1,0,1]=4 1985 B13R2.31 O=C1CC(C1)Oc2ccccc2 Amb23439309 [0,0,0,1,1,0|1,0,0]=3 1986 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,1,1,0|0,0,0]=2 1987 B13R2.31 O=C1CN(C1)Cc2ccccc2 Amb10602421 [0,0,0,1,1,0|1,0,0]=3 1988 B13R2.31 O=C1C[C@@H](N1)Sc2ccccc2 Amb25119229 [0,0,0,1,1,0|2,0,0]=4 1989 B13R2.31 O=C1C[C@H](Cc2cccc[n]2)N1 Amb24497165 [0,0,0,1,1,0|2,0,0]=4 1990 B13R2.31 O=C1C[C@H](Cc2ccccc2)N1 Amb24757761 [0,0,0,1,1,0|1,0,0]=3 1991 B13R2.31 OC1CC(Cc2ccccc2)C1 Amb23401472 [0,0,0,1,1,0|0,0,2]=4 1992 B13R2.72 CC(=C)C1CNc2ccccc21 Amb25777880 [0,0,0,1,1,0|2,0,0]=4 1993 B13R2.72 CC(=O)C1C=Cc2ccccc21 Amb25735092 [0,0,0,1,1,0|0,0,2]=4 1994 B13R2.72 CC(=O)C1CCc2ccccc21 Amb24400099 [0,0,0,1,1,0|0,0,0]=2 1995 B13R2.72 CC(=O)C1CNc2ccccc21 Amb24393046 [0,0,0,1,1,0|1,0,0]=3 1996 B13R2.72 CC(=O)C1COc2ccccc21 Amb23586289 [0,0,0,1,1,0|1,0,0]=3 1997 B13R2.72 CC(=O)C1CSc2ccccc21 Amb24435646 [0,0,0,1,1,0|1,0,0]=3 1998 B13R2.72 CC(=O)N1CCc2c[n]ccc12 Amb25847503 [0,0,0,1,1,0|2,0,0]=4 1999 B13R2.72 CC(=O)N1CCc2cc[n]cc12 Amb23412123 [0,0,0,1,1,0|2,0,0]=4 2000 B13R2.72 CC(=O)[C@@H]1CCc2ccccc21 Amb25834379 [0,0,0,1,1,0|0,0,0]=2 2001 B13R2.72 CC(=O)[C@H]1CCc2ccccc21 Amb25756942 [0,0,0,1,1,0|0,0,0]=2 2002 B13R2.72 C[C@@H](N)C1CCc2ccccc21 Amb25259826 [0,0,0,1,1,0|1,0,1]=4 2003 B13R2.72 C[C@@H](O)C1CCc2ccccc21 Amb25077224 [0,0,0,1,1,0|0,0,2]=4 2004 B13R2.72 C[C@H](O)C1CCc2ccccc21 Amb25378827 [0,0,0,1,1,0|0,0,2]=4 2005 B13R2.72 NC(=N)C1CCc2ccccc21 Amb24484327 [0,0,0,1,1,0|2,0,0]=4 2006 B13R2.72 NC(=O)C1CCc2[n]cccc21 Amb24071419 [0,0,0,1,1,0|2,0,0]=4 2007 B13R2.72 NC(=O)C1CCc2ccc[n]c21 Amb24071778 [0,0,0,1,1,0|2,0,0]=4 2008 B13R2.72 NC(=O)C1CNc2ccccc21 Amb19320765 [0,0,0,1,1,0|2,0,0]=4 2009 B13R2.72 NC(=O)C1NCc2ccccc21 Amb25053931 [0,0,0,1,1,0|2,0,0]=4 2010 B13R2.72 NC(=O)N1CCc2c1cccc2 Amb1124478 [0,0,0,1,1,0|2,0,0]=4 2011 B13R2.72 O=C(Cl)C1CCc2ccccc21 Amb24397018 [0,0,0,1,1,0|1,0,0]=3 2012 B13R2.72 O=C(Cl)C1COc2ccccc21 Amb24436426 [0,0,0,1,1,0|2,0,0]=4 2013 B13R2.72 O=C(Cl)N1CCc2ccccc12 Amb20670451 [0,0,0,1,1,0|2,0,0]=4 2014 B13R2.72 OC(=O)C1CCc2c[n]ccc21 Amb25376359 [0,0,0,1,1,0|2,0,0]=4 2015 B13R2.72 OC(=O)C1CCc2ccc[n]c21 Amb22372226 [0,0,0,1,1,0|2,0,0]=4 2016 B13R2.72 OC(=O)C1CCc2ccccc21 Amb18538487 [0,0,0,1,1,0|1,0,0]=3 2017 B13R2.72 OC(=O)C1CNc2ccccc21 Amb22497686 [0,0,0,1,1,0|2,0,0]=4 2018 B13R2.72 OC(=O)C1COc2ccccc21 Amb19372915 [0,0,0,1,1,0|2,0,0]=4 2019 B13R2.72 OC(=O)C1CSc2ccccc21 Amb19335022 [0,0,0,1,1,0|2,0,0]=4 2020 B13R2.72 OC(=O)C1NCc2ccccc21 Amb22491461 [0,0,0,1,1,0|2,0,0]=4 2021 B13R2.72 OC(=O)C1OCc2ccccc21 Amb18829056 [0,0,0,1,1,0|2,0,0]=4 2022 B13R2.72 OC(=O)[C@@H]1CCc2ccccc21 Amb24729539 [0,0,0,1,1,0|1,0,0]=3 2023 B13R2.72 OC(=O)[C@@H]1CNc2ccccc21 Amb25701751 [0,0,0,1,1,0|2,0,0]=4 2024 B13R2.72 OC(=O)[C@@H]1COc2ccccc21 Amb24539298 [0,0,0,1,1,0|2,0,0]=4 2025 B13R2.72 OC(=O)[C@@H]1NCc2ccccc21 Amb22748827 [0,0,0,1,1,0|2,0,0]=4 2026 B13R2.72 OC(=O)[C@H]1CCc2ccccc21 Amb24470066 [0,0,0,1,1,0|1,0,0]=3 2027 B13R2.72 OC(=O)[C@H]1CSc2ccccc21 Amb24701742 [0,0,0,1,1,0|2,0,0]=4 2028 B13R2.72 OC(=O)[C@H]1NCc2ccccc21 Amb25200954 [0,0,0,1,1,0|2,0,0]=4 2029 B13R2.163 BrC=1CCCc2ccccc2C1 Amb25244811 [0,0,0,1,1,0|1,0,1]=4 2030 B13R2.163 CN1CCCc2c(C1)cccc2 Amb10572356 [0,0,0,1,1,0|2,0,0]=4 2031 B13R2.163 NC1Cc2ccccc2CCC1 Amb24355951 [0,0,0,1,1,0|1,0,1]=4 2032 B13R2.163 NC=1Cc2ccccc2CCN1 Amb22263623 [0,0,0,1,1,0|2,0,0]=4 2033 B13R2.163 N[C@H]1Cc2ccccc2CCC1 Amb25151132 [0,0,0,1,1,0|1,0,1]=4 2034 B13R2.163 O=C1CCCc2c(N1)cccc2 Amb1077569 [0,0,0,1,1,0|1,0,0]=3 2035 B13R2.163 O=C1CCCc2ccc[n]c2N1 Amb21962431 [0,0,0,1,1,0|2,0,0]=4 2036 B13R2.163 O=C1CCCc2ccccc2O1 Amb22900954 [0,0,0,1,1,0|1,0,0]=3 2037 B13R2.163 O=C1CCNc2c(N1)cccc2 Amb1666975 [0,0,0,1,1,0|2,0,0]=4 2038 B13R2.163 O=C1CCNc2ccccc2N1 Amb21857722 [0,0,0,1,1,0|2,0,0]=4 2039 B13R2.163 O=C1CCOc2c(N1)cccc2 Amb10608982 [0,0,0,1,1,0|2,0,0]=4 2040 B13R2.163 O=C1CCSc2c(N1)cccc2 Amb1154582 [0,0,0,1,1,0|2,0,0]=4 2041 B13R2.163 O=C1CNCc2c(N1)cccc2 Amb17606145 [0,0,0,1,1,0|2,0,0]=4 2042 B13R2.163 O=C1COCc2ccccc2N1 Amb19516346 [0,0,0,1,1,0|2,0,0]=4 2043 B13R2.163 O=C1Cc2cc[n]cc2CCC1 Amb25730512 [0,0,0,1,1,0|1,0,0]=3 2044 B13R2.163 O=C1Cc2ccc[n]c2CCC1 Amb25097103 [0,0,0,1,1,0|1,0,0]=3 2045 B13R2.163 O=C1Cc2ccccc2NCC1 Amb18829955 [0,0,0,1,1,0|1,0,0]=3 2046 B13R2.163 O=C1Cc2ccccc2OCC1 Amb24352115 [0,0,0,1,1,0|1,0,0]=3 2047 B13R2.163 O=C1NCCc2c(C1)cccc2 Amb16203437 [0,0,0,1,1,0|1,0,0]=3 2048 B13R2.163 O=C1Nc2ccccc2CCO1 Amb24495939 [0,0,0,1,1,0|1,0,0]=3 2049 B13R2.163 S=C1Cc2ccccc2CCN1 Amb25826588 [0,0,0,1,1,0|1,1,0]=4 2050 B13R2.219 O=S1(=O)CCC1c2ccccc2 Amb24496772 [0,0,0,1,1,0|2,0,0]=4 2051 B13R2.423 CC(=O)C1OC1c2ccccc2 Amb17594030 [0,0,0,1,1,0|1,0,0]=3 2052 B13R2.423 CC(=O)[C@@H]1CC1c2ccccc2 Amb25759554 [0,0,0,1,1,0|0,0,0]=2 2053 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb25168893 [0,0,0,1,1,0|0,0,0]=2 2054 B13R2.423 CC(=O)[C@@H]1O[C@H]1c2cc[n]cc2 Amb25375191 [0,0,0,1,1,0|2,0,0]=4 2055 B13R2.423 CC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb25174918 [0,0,0,1,1,0|1,0,0]=3 2056 B13R2.423 CC(=O)[C@H]1C[C@H]1c2ccccc2 Amb24540267 [0,0,0,1,1,0|0,0,0]=2 2057 B13R2.423 CC(=O)[C@H]1O[C@@H]1c2cc[n]cc2 Amb25174919 [0,0,0,1,1,0|2,0,0]=4 2058 B13R2.423 CC(=O)[C@H]1O[C@@H]1c2ccc[n]c2 Amb24649931 [0,0,0,1,1,0|2,0,0]=4 2059 B13R2.423 CC(=O)[C@H]1O[C@@H]1c2ccccc2 Amb24601834 [0,0,0,1,1,0|1,0,0]=3 2060 B13R2.423 CC(C)C1CC1c2ccccc2 Amb24070198 [0,0,0,1,1,0|1,0,1]=4 2061 B13R2.423 CC(C)[C@@H]1C[C@H]1c2ccccc2 Amb25253110 [0,0,0,1,1,0|1,0,1]=4 2062 B13R2.423 CC(C)[C@H]1C[C@H]1c2ccccc2 Amb24068901 [0,0,0,1,1,0|1,0,1]=4 2063 B13R2.423 CC(C1CC1c2ccccc2)N Amb10610180 [0,0,0,1,1,0|1,0,1]=4 2064 B13R2.423 CC(C1CC1c2ccccc2)O Amb17605479 [0,0,0,1,1,0|0,0,2]=4 2065 B13R2.423 CC(O)[C@@H]1C[C@@H]1c2ccccc2 Amb25306520 [0,0,0,1,1,0|0,0,2]=4 2066 B13R2.423 C[C@H](O)[C@@H]1C[C@@H]1c2ccccc2 Amb24520371 [0,0,0,1,1,0|0,0,2]=4 2067 B13R2.423 C[C@H](O)[C@H]1C[C@@H]1c2ccccc2 Amb24583667 [0,0,0,1,1,0|0,0,2]=4 2068 B13R2.423 NC(=N)C1CC1c2ccccc2 Amb25242569 [0,0,0,1,1,0|2,0,0]=4 2069 B13R2.423 NC(=O)C1CC1c2ccc[n]c2 Amb25701875 [0,0,0,1,1,0|2,0,0]=4 2070 B13R2.423 NC(=O)C1CC1c2ccccc2 Amb24709280 [0,0,0,1,1,0|1,0,0]=3 2071 B13R2.423 NC(=O)[C@@H]1C[C@@H]1c2cc[n]cc2 Amb24678885 [0,0,0,1,1,0|2,0,0]=4 2072 B13R2.423 NC(=O)[C@@H]1C[C@@H]1c2ccc[n]c2 Amb24709317 [0,0,0,1,1,0|2,0,0]=4 2073 B13R2.423 NC(=O)[C@@H]1C[C@H]1c2cc[n]cc2 Amb25294667 [0,0,0,1,1,0|2,0,0]=4 2074 B13R2.423 NC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb24519129 [0,0,0,1,1,0|2,0,0]=4 2075 B13R2.423 NC(=O)[C@H]1C[C@@H]1c2cc[n]cc2 Amb24724910 [0,0,0,1,1,0|2,0,0]=4 2076 B13R2.423 NC(=O)[C@H]1C[C@@H]1c2ccccc2 Amb25227794 [0,0,0,1,1,0|1,0,0]=3 2077 B13R2.423 NC(=O)[C@H]1C[C@H]1c2ccccc2 Amb24512021 [0,0,0,1,1,0|1,0,0]=3 2078 B13R2.423 O=C(Cl)C1CC1c2ccccc2 Amb24655655 [0,0,0,1,1,0|1,0,0]=3 2079 B13R2.423 O=C(Cl)C1C[C@H]1c2ccccc2 Amb25835857 [0,0,0,1,1,0|1,0,0]=3 2080 B13R2.423 O=C(Cl)C1OC1c2ccccc2 Amb25275213 [0,0,0,1,1,0|2,0,0]=4 2081 B13R2.423 O=C(Cl)[C@@H]1O[C@H]1c2ccccc2 Amb25205379 [0,0,0,1,1,0|2,0,0]=4 2082 B13R2.423 O=C(Cl)[C@H]1C[C@H]1c2ccccc2 Amb24654857 [0,0,0,1,1,0|1,0,0]=3 2083 B13R2.423 O=C(Cl)[C@H]1O[C@H]1c2ccccc2 Amb24621250 [0,0,0,1,1,0|2,0,0]=4 2084 B13R2.423 OC(=O)C1CC1c2cc[n]cc2 Amb19514911 [0,0,0,1,1,0|2,0,0]=4 2085 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2cccc[n]2 Amb25209805 [0,0,0,1,1,0|2,0,0]=4 2086 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 Amb17621816 [0,0,0,1,1,0|1,0,0]=3 2087 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cc[n]cc2 Amb25299768 [0,0,0,1,1,0|2,0,0]=4 2088 B13R2.423 OC(=O)[C@@H]1O[C@@H]1c2ccccc2 Amb25216955 [0,0,0,1,1,0|2,0,0]=4 2089 B13R2.423 OC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb24080018 [0,0,0,1,1,0|2,0,0]=4 2090 B13R2.423 OC(=O)[C@@H]1S[C@H]1c2ccccc2 Amb25286929 [0,0,0,1,1,0|2,0,0]=4 2091 B13R2.423 OC(=O)[C@H]1CC1c2cc[n]cc2 Amb24685293 [0,0,0,1,1,0|2,0,0]=4 2092 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 Amb10071353 [0,0,0,1,1,0|1,0,0]=3 2093 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 Amb25231831 [0,0,0,1,1,0|1,0,0]=3 2094 B13R2.423 OC(=O)[C@H]1O[C@H]1c2ccccc2 Amb24519473 [0,0,0,1,1,0|2,0,0]=4 2095 B13R2.423 OS(=O)C1CC1c2ccccc2 Amb24747050 [0,0,0,1,1,0|2,0,0]=4 2096 B13R2.3122 CC1(C)CCCc2ccccc12 Amb25328610 [0,0,0,1,1,0|1,0,1]=4 2097 B13R2.3122 CC1(N)CCCc2c1cccc2 Amb13952456 [0,0,0,1,1,0|1,0,1]=4 2098 B13R2.5881 CC(=O)CC1Cc2ccccc21 Amb25129209 [0,0,0,1,1,0|0,0,0]=2 2099 B13R2.5881 CC(=O)NC1Cc2ccccc12 Amb17778879 [0,0,0,1,1,0|1,0,0]=3 2100 B13R2.5881 CC(=O)OC1Cc2ccccc12 Amb17778687 [0,0,0,1,1,0|0,0,0]=2 2101 B13R2.5881 CC(=O)\C=C\1/Cc2ccccc21 Amb21948332 [0,0,0,1,1,0|0,0,2]=4 2102 B13R2.5881 CC(Cl)CC1Cc2ccccc21 Amb24570076 [0,0,0,1,1,0|1,0,1]=4 2103 B13R2.5881 CC(N)CC1Cc2ccccc21 Amb24738028 [0,0,0,1,1,0|1,0,1]=4 2104 B13R2.5881 CN(C)CC1Cc2ccccc21 Amb22446492 [0,0,0,1,1,0|2,0,0]=4 2105 B13R2.5881 NC(=N)CC1Cc2ccccc21 Amb25150145 [0,0,0,1,1,0|2,0,0]=4 2106 B13R2.5881 OC(=O)CC1Cc2ccccc21 Amb25279494 [0,0,0,1,1,0|1,0,0]=3 2107 B13R2.13 O=C1CC(CCC1)c2ccc[s]2 Amb18564148 [0,0,0,1,1,0|2,0,0]=4 2108 B13R2.13 O=C1CC(CCC1)c2ccco2 Amb25070377 [0,0,0,1,1,0|2,0,0]=4 2109 B13R2.13 O=C1C[C@H](CCC1)c2ccco2 Amb25086686 [0,0,0,1,1,0|2,0,0]=4 2110 B13R2.13 O=C1NC(CCO1)c2cc[s]c2 Amb24379829 [0,0,0,1,1,0|2,0,0]=4 2111 B13R2.13 O=C1NC(CCO1)c2ccc[s]2 Amb24430916 [0,0,0,1,1,0|2,0,0]=4 2112 B13R2.13 O=C1NC(CCO1)c2ccco2 Amb25057682 [0,0,0,1,1,0|2,0,0]=4 2113 B13R2.13 O=C1NC(CCO1)c2ccoc2 Amb24354300 [0,0,0,1,1,0|2,0,0]=4 2114 B13R2.13 O=C1N[C@H](CCO1)c2ccc[nH]2 Amb25251125 [0,0,0,1,1,0|2,0,0]=4 2115 B13R2.13 O=C1N[C@H](CCO1)c2ccc[s]2 Amb25715277 [0,0,0,1,1,0|2,0,0]=4 2116 B13R2.13 O=C1N[C@H](CCO1)c2ccoc2 Amb25353665 [0,0,0,1,1,0|2,0,0]=4 2117 B13R2.142 O=C1CC(Cc2ccc[s]2)CC1 Amb25758078 [0,0,0,1,1,0|2,0,0]=4 2118 B13R2.142 O=C1CC(Cc2ccc[s]2)CO1 Amb24663277 [0,0,0,1,1,0|1,0,0]=3 2119 B13R2.142 O=C1CC(Cc2ccco2)CC1 Amb24689479 [0,0,0,1,1,0|2,0,0]=4 2120 B13R2.142 O=C1CC(Cc2ccco2)CO1 Amb24362744 [0,0,0,1,1,0|1,0,0]=3 2121 B13R2.142 O=C1C[C@H](Cc2ccco2)CO1 Amb25722899 [0,0,0,1,1,0|1,0,0]=3 2122 B13R2.5569 CC(=O)C1CCCc2ccoc21 Amb24086377 [0,0,0,1,1,0|2,0,0]=4 2123 B15R2.6 CC(=C)CCC1NCc2ccccc21 Amb24727902 [0,0,0,1,0,1|2,0,0]=4 2124 B15R2.6 CC(=C)CNC1CCc2ccccc21 Amb19071036 [0,0,0,1,0,1|2,0,0]=4 2125 B15R2.6 CC(=O)CCC1COc2ccccc21 Amb24667421 [0,0,0,1,0,1|1,0,0]=3 2126 B15R2.6 CC(=O)CCN1CCc2c1cccc2 Amb17401320 [0,0,0,1,0,1|1,0,0]=3 2127 B15R2.6 CC(=O)NCC1CCc2ccccc21 Amb24096373 [0,0,0,1,0,1|1,0,0]=3 2128 B15R2.6 CC(=O)NCC1CNc2ccccc21 Amb24096384 [0,0,0,1,0,1|1,0,0]=3 2129 B15R2.6 CC(=O)NCC1COc2c1ccnc2 Amb10845536 [0,0,0,1,0,1|2,0,0]=4 2130 B15R2.6 CC(=O)OCC1C=Cc2ccccc21 Amb25181434 [0,0,0,1,0,1|0,0,1]=3 2131 B15R2.6 CC(=O)OCc1c[nH]c2ccccc21 Amb25087863 [0,0,0,1,0,1|0,0,2]=4 2132 B15R2.6 CC(=O)OCc1c[s]c2ccccc21 Amb24105118 [0,0,0,1,0,1|0,0,2]=4 2133 B15R2.6 CC(=O)OCn1nnc2c1cccc2 Amb10559295 [0,0,0,1,0,1|2,0,0]=4 2134 B15R2.6 CC(C)ONC1CCc2ccccc21 Amb25286483 [0,0,0,1,0,1|1,0,1]=4 2135 B15R2.6 ClC(=O)CCN1CCc2c1cccc2 Amb17143488 [0,0,0,1,0,1|2,0,0]=4 2136 B15R2.6 NC(=O)CCN1CCc2c1cccc2 Amb17143084 [0,0,0,1,0,1|2,0,0]=4 2137 B15R2.6 NC(=O)CNC1CCc2c1cccc2 Amb1119169 [0,0,0,1,0,1|2,0,0]=4 2138 B15R2.6 NC(=O)CSC1CCc2c1cccc2 Amb11626384 [0,0,0,1,0,1|1,1,0]=4 2139 B15R2.6 OC(=O)CCC1CCc2ccccc21 Amb18650564 [0,0,0,1,0,1|2,0,0]=4 2140 B15R2.6 OC(=O)CCC1CNc2ccccc21 Amb18560673 [0,0,0,1,0,1|2,0,0]=4 2141 B15R2.6 OC(=O)CCC1CSc2ccccc21 Amb25137538 [0,0,0,1,0,1|2,0,0]=4 2142 B15R2.6 OC(=O)CCN1CCc2c1cccc2 Amb2235429 [0,0,0,1,0,1|2,0,0]=4 2143 B15R2.6 OC(=O)CC[C@H]1CCc2ccccc21 Amb24634307 [0,0,0,1,0,1|2,0,0]=4 2144 B15R2.6 OC(=O)CSC1CCc2ccccc21 Amb25036683 [0,0,0,1,0,1|1,1,0]=4 2145 B15R2.31 BrC1=CCCN(C1)Cc2ccccc2 Amb13885739 [0,0,0,1,0,1|2,0,0]=4 2146 B15R2.31 C=C1CC(Cc2ccccc2)NCC1 Amb18649678 [0,0,0,1,0,1|2,0,0]=4 2147 B15R2.31 CC1CN(Cc2ccccc2)CCO1 Amb21857566 [0,0,0,1,0,1|1,0,1]=4 2148 B15R2.31 CC1COCC(Cc2ccccc2)N1 Amb18564882 [0,0,0,1,0,1|1,0,1]=4 2149 B15R2.31 CC1OCCN(C1)Cc2ccccc2 Amb10697043 [0,0,0,1,0,1|1,0,1]=4 2150 B15R2.31 CC=1CCCC(C1)Nc2ccccc2 Amb25771823 [0,0,0,1,0,1|2,0,0]=4 2151 B15R2.31 ClC1CN(Cc2ccccc2)CCO1 Amb24061207 [0,0,0,1,0,1|1,0,1]=4 2152 B15R2.31 O=C1C=C(CCO1)Nc2ccccc2 Amb22229530 [0,0,0,1,0,1|0,0,2]=4 2153 B15R2.31 O=C1C=C(Cc2ccccc2)CCN1 Amb24521279 [0,0,0,1,0,1|1,0,1]=4 2154 B15R2.31 O=C1C=CC[C@H](Cc2ccccc2)O1 Amb24499879 [0,0,0,1,0,1|2,0,0]=4 2155 B15R2.31 O=C1CC(CCC1)Sc2cc[n]cc2 Amb24680630 [0,0,0,1,0,1|2,0,0]=4 2156 B15R2.31 O=C1CC(CCC1)Sc2cccc[n]2 Amb25118989 [0,0,0,1,0,1|2,0,0]=4 2157 B15R2.31 O=C1CC(CCC1)Sc2ccccc2 Amb25123623 [0,0,0,1,0,1|1,0,0]=3 2158 B15R2.31 O=C1CC(Cc2cc[n]cc2)CCC1 Amb24752521 [0,0,0,1,0,1|2,0,0]=4 2159 B15R2.31 O=C1CC(Cc2ccc[n]c2)CCC1 Amb24645957 [0,0,0,1,0,1|2,0,0]=4 2160 B15R2.31 O=C1CC(Cc2cccc[n]2)CCC1 Amb25059804 [0,0,0,1,0,1|2,0,0]=4 2161 B15R2.31 O=C1CC(Cc2ccccc2)CCC1 Amb21959248 [0,0,0,1,0,1|1,0,0]=3 2162 B15R2.31 O=C1CC(Cc2ccccc2)CCN1 Amb25835625 [0,0,0,1,0,1|1,0,0]=3 2163 B15R2.31 O=C1CC(Cc2ccccc2)NCC1 Amb22235280 [0,0,0,1,0,1|1,0,0]=3 2164 B15R2.31 O=C1CC(Cc2ccccc2)OC=C1 Amb24679586 [0,0,0,1,0,1|1,0,1]=4 2165 B15R2.31 O=C1CCCC(=C1)Cc2ccccc2 Amb10563347 [0,0,0,1,0,1|1,0,1]=4 2166 B15R2.31 O=C1CCSC(Cc2ccccc2)N1 Amb24375776 [0,0,0,1,0,1|2,0,0]=4 2167 B15R2.31 O=C1CN(Cc2ccc[n]c2)CCC1 Amb25698479 [0,0,0,1,0,1|2,0,0]=4 2168 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,1,0,1|0,0,0]=2 2169 B15R2.31 O=C1CNC[C@H](Cc2ccccc2)N1 Amb25791537 [0,0,0,1,0,1|2,0,0]=4 2170 B15R2.31 O=C1COCC(Cc2ccccc2)N1 Amb21864802 [0,0,0,1,0,1|1,0,0]=3 2171 B15R2.31 O=C1COC[C@@H](Cc2ccccc2)N1 Amb25082881 [0,0,0,1,0,1|1,0,0]=3 2172 B15R2.31 O=C1COC[C@H](Cc2ccccc2)N1 Amb25725966 [0,0,0,1,0,1|1,0,0]=3 2173 B15R2.31 O=C1CSCC(Cc2ccccc2)N1 Amb25090892 [0,0,0,1,0,1|1,1,0]=4 2174 B15R2.31 O=C1CSC[C@@H](Cc2ccccc2)N1 Amb25267532 [0,0,0,1,0,1|1,1,0]=4 2175 B15R2.31 O=C1C[C@@H](Cc2ccccc2)NCC1 Amb25244167 [0,0,0,1,0,1|1,0,0]=3 2176 B15R2.31 O=C1C[C@H](Cc2ccccc2)NCC1 Amb24554093 [0,0,0,1,0,1|1,0,0]=3 2177 B15R2.31 O=C1NC(Cc2ccccc2)CCN1 Amb25081057 [0,0,0,1,0,1|2,0,0]=4 2178 B15R2.31 O=S1CC(CCC1)Nc2ccccc2 Amb24386475 [0,0,0,1,0,1|2,0,0]=4 2179 B15R2.31 O=S1CC(Cc2ccccc2)NCC1 Amb25814941 [0,0,0,1,0,1|2,0,0]=4 2180 B15R2.31 O=S1C[C@@H](CCC1)Nc2ccccc2 Amb24410171 [0,0,0,1,0,1|2,0,0]=4 2181 B15R2.31 OC1CN(Cc2ccccc2)CCO1 Amb20621984 [0,0,0,1,0,1|0,0,2]=4 2182 B15R2.31 OC1CN(Cc2ccccc2)CCO1 Amb22499166 [0,0,0,1,0,1|0,0,2]=4 2183 B15R2.31 S=C1CC(Cc2ccccc2)CCN1 Amb25165996 [0,0,0,1,0,1|1,1,0]=4 2184 B15R2.63 CC(=O)C1N=NCC1c2ccccc2 Amb24080094 [0,0,0,1,0,1|2,0,0]=4 2185 B15R2.63 CC(=O)N1CCCC1c2cc[n]cc2 Amb20136499 [0,0,0,1,0,1|2,0,0]=4 2186 B15R2.63 CC(=O)N1CCCC1c2ccc[n]c2 Amb23444561 [0,0,0,1,0,1|2,0,0]=4 2187 B15R2.63 CC(=O)N1CCCC1c2cccc[n]2 Amb20136482 [0,0,0,1,0,1|2,0,0]=4 2188 B15R2.63 NC(=O)C1CCCC1c2ccccc2 Amb24441590 [0,0,0,1,0,1|2,0,0]=4 2189 B15R2.63 NC(=O)C=1CCCC1c2ccccc2 Amb25164460 [0,0,0,1,0,1|2,0,0]=4 2190 B15R2.63 NC(=O)[C@@H]1CCCN1c2ccccc2 Amb25699212 [0,0,0,1,0,1|2,0,0]=4 2191 B15R2.63 NC(=O)[C@@H]1CCC[C@@H]1c2ccccc2 Amb25295459 [0,0,0,1,0,1|2,0,0]=4 2192 B15R2.63 O=C(Cl)N1CCCC1c2ccccc2 Amb24336164 [0,0,0,1,0,1|2,0,0]=4 2193 B15R2.63 OC(=O)C1CCCN1c2ccccc2 Amb10576138 [0,0,0,1,0,1|2,0,0]=4 2194 B15R2.63 OC(=O)C1CCCP1c2ccccc2 Amb25092946 [0,0,0,1,0,1|2,0,0]=4 2195 B15R2.63 OC(=O)C1CCNC1c2ccccc2 Amb18636233 [0,0,0,1,0,1|2,0,0]=4 2196 B15R2.63 OC(=O)C1CCOC1c2ccccc2 Amb10609878 [0,0,0,1,0,1|2,0,0]=4 2197 B15R2.63 OC(=O)C1CNCC1c2ccccc2 Amb18818548 [0,0,0,1,0,1|2,0,0]=4 2198 B15R2.63 OC(=O)C1NCCC1c2ccccc2 Amb10818868 [0,0,0,1,0,1|2,0,0]=4 2199 B15R2.63 OC(=O)C1SCCC1c2ccccc2 Amb25315581 [0,0,0,1,0,1|1,1,0]=4 2200 B15R2.63 OC(=O)C=1CCCC1c2ccccc2 Amb25743569 [0,0,0,1,0,1|2,0,0]=4 2201 B15R2.63 OC(=O)[C@@H]1CCN[C@@H]1c2ccccc2 Amb22750627 [0,0,0,1,0,1|2,0,0]=4 2202 B15R2.63 OC(=O)[C@@H]1CCN[C@H]1c2ccccc2 Amb18818528 [0,0,0,1,0,1|2,0,0]=4 2203 B15R2.63 OC(=O)[C@@H]1CNC[C@@H]1c2ccccc2 Amb25201259 [0,0,0,1,0,1|2,0,0]=4 2204 B15R2.63 OC(=O)[C@@H]1CNC[C@H]1c2ccccc2 Amb20241709 [0,0,0,1,0,1|2,0,0]=4 2205 B15R2.63 OC(=O)[C@@H]1CNC[C@H]1c2ccccc2 Amb22288903 [0,0,0,1,0,1|2,0,0]=4 2206 B15R2.63 OC(=O)[C@@H]1CSC[C@@H]1c2ccccc2 Amb25226386 [0,0,0,1,0,1|2,0,0]=4 2207 B15R2.63 OC(=O)[C@@H]1CSC[C@H]1c2ccccc2 Amb24655987 [0,0,0,1,0,1|2,0,0]=4 2208 B15R2.63 OC(=O)[C@@H]1NCCC1c2ccccc2 Amb22744962 [0,0,0,1,0,1|2,0,0]=4 2209 B15R2.63 OC(=O)[C@@H]1NCC[C@@H]1c2ccccc2 Amb22831280 [0,0,0,1,0,1|2,0,0]=4 2210 B15R2.63 OC(=O)[C@@H]1NCC[C@H]1c2ccccc2 Amb19889777 [0,0,0,1,0,1|2,0,0]=4 2211 B15R2.63 OC(=O)[C@@H]1NCC[C@H]1c2ccccc2 Amb24181876 [0,0,0,1,0,1|2,0,0]=4 2212 B15R2.63 OC(=O)[C@@H]1OCC[C@@H]1c2ccccc2 Amb25168842 [0,0,0,1,0,1|1,0,0]=3 2213 B15R2.63 OC(=O)[C@H]1CCCN1c2ccccc2 Amb25756656 [0,0,0,1,0,1|2,0,0]=4 2214 B15R2.63 OC(=O)[C@H]1CCC[C@@H]1c2ccccc2 Amb24739550 [0,0,0,1,0,1|2,0,0]=4 2215 B15R2.63 OC(=O)[C@H]1CCN[C@H]1c2ccccc2 Amb25022881 [0,0,0,1,0,1|2,0,0]=4 2216 B15R2.63 OC(=O)[C@H]1CCO[C@@H]1c2ccccc2 Amb24620880 [0,0,0,1,0,1|2,0,0]=4 2217 B15R2.63 OC(=O)[C@H]1CNC[C@@H]1c2ccccc2 Amb20241710 [0,0,0,1,0,1|2,0,0]=4 2218 B15R2.63 OC(=O)[C@H]1CNC[C@@H]1c2ccccc2 Amb25658996 [0,0,0,1,0,1|2,0,0]=4 2219 B15R2.63 OC(=O)[C@H]1COC[C@@H]1c2ccccc2 Amb25254638 [0,0,0,1,0,1|2,0,0]=4 2220 B15R2.63 OC(=O)[C@H]1NCCC1c2ccccc2 Amb10602347 [0,0,0,1,0,1|2,0,0]=4 2221 B15R2.63 OC(=O)[C@H]1NCC[C@@H]1c2ccccc2 Amb22008707 [0,0,0,1,0,1|2,0,0]=4 2222 B15R2.63 OC(=O)[C@H]1OCC[C@@H]1c2ccccc2 Amb24740816 [0,0,0,1,0,1|1,0,0]=3 2223 B15R2.283 BrC=1CC(COc2ccccc2)ON1 Amb23449514 [0,0,0,1,0,1|2,0,0]=4 2224 B15R2.283 C=C1COC(CCc2ccccc2)C1 Amb25183212 [0,0,0,1,0,1|1,0,0]=3 2225 B15R2.283 CC1CC(CNc2ccccc2)CO1 Amb25166836 [0,0,0,1,0,1|1,0,1]=4 2226 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,1,0,1|2,0,0]=4 2227 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,1,0,1|2,0,0]=4 2228 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,1,0,1|2,0,0]=4 2229 B15R2.283 O=C1C=C(CO1)NCc2ccccc2 Amb23562822 [0,0,0,1,0,1|0,0,2]=4 2230 B15R2.283 O=C1C=C(CO1)OCc2ccccc2 Amb24310537 [0,0,0,1,0,1|0,0,2]=4 2231 B15R2.283 O=C1C=CC(CCc2ccccc2)N1 Amb24378116 [0,0,0,1,0,1|2,0,0]=4 2232 B15R2.283 O=C1CC(C=C1)OCc2ccccc2 Amb24375347 [0,0,0,1,0,1|1,0,1]=4 2233 B15R2.283 O=C1CC(CC1)NCc2ccccc2 Amb25754322 [0,0,0,1,0,1|1,0,0]=3 2234 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [0,0,0,1,0,1|1,0,0]=3 2235 B15R2.283 O=C1CC(CN1)CSc2ccccc2 Amb25771687 [0,0,0,1,0,1|1,0,0]=3 2236 B15R2.283 O=C1CC(CN1)NCc2cc[n]cc2 Amb25764198 [0,0,0,1,0,1|2,0,0]=4 2237 B15R2.283 O=C1CC(CN1)OCc2ccccc2 Amb25166196 [0,0,0,1,0,1|1,0,0]=3 2238 B15R2.283 O=C1CC(CN1)\C=C\c2ccccc2 Amb24531769 [0,0,0,1,0,1|1,0,1]=4 2239 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,1,0,1|0,0,0]=2 2240 B15R2.283 O=C1CCC(CNc2ccccc2)N1 Amb25102596 [0,0,0,1,0,1|2,0,0]=4 2241 B15R2.283 O=C1CCC(CSc2ccccc2)O1 Amb25277398 [0,0,0,1,0,1|2,0,0]=4 2242 B15R2.283 O=C1CCC(N1)OCc2ccccc2 Amb25835161 [0,0,0,1,0,1|2,0,0]=4 2243 B15R2.283 O=C1CCC(NCc2ccccc2)N1 Amb24426288 [0,0,0,1,0,1|2,0,0]=4 2244 B15R2.283 O=C1CC[C@@H](CNc2ccccc2)N1 Amb25292105 [0,0,0,1,0,1|2,0,0]=4 2245 B15R2.283 O=C1CN(CC1)CCc2cc[n]cc2 Amb19060970 [0,0,0,1,0,1|2,0,0]=4 2246 B15R2.283 O=C1CN(CC1)CCc2ccc[n]c2 Amb19060959 [0,0,0,1,0,1|2,0,0]=4 2247 B15R2.283 O=C1C[C@H](C=C1)OCc2ccccc2 Amb25167796 [0,0,0,1,0,1|1,0,1]=4 2248 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,1,0,1|0,0,0]=2 2249 B15R2.283 O=C1NC(CCc2ccccc2)=NO1 Amb19072880 [0,0,0,1,0,1|1,0,1]=4 2250 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,1,0,1|1,0,0]=3 2251 B15R2.283 O=C1NC(CO1)CNc2cccc[n]2 Amb24690185 [0,0,0,1,0,1|2,0,0]=4 2252 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,1,0,1|1,0,0]=3 2253 B15R2.283 O=C1NC(CO1)\C=C\c2ccccc2 Amb24336522 [0,0,0,1,0,1|1,0,1]=4 2254 B15R2.283 O=C1NC(CO1)\N=C\c2ccccc2 Amb24336701 [0,0,0,1,0,1|1,0,1]=4 2255 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [0,0,0,1,0,1|2,0,0]=4 2256 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [0,0,0,1,0,1|2,0,0]=4 2257 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [0,0,0,1,0,1|2,0,0]=4 2258 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,1,0,1|1,0,0]=3 2259 B15R2.283 O=C1N[C@@H](CO1)C#Cc2ccccc2 Amb24409685 [0,0,0,1,0,1|1,0,1]=4 2260 B15R2.283 O=C1N[C@@H](CO1)\C=C\c2ccccc2 Amb24506561 [0,0,0,1,0,1|1,0,1]=4 2261 B15R2.283 O=C1N[C@H](CO1)\C=C\c2ccccc2 Amb24753714 [0,0,0,1,0,1|1,0,1]=4 2262 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,1,0,1|1,0,0]=3 2263 B15R2.283 OC1CC(CO1)OCc2ccccc2 Amb25740552 [0,0,0,1,0,1|0,0,2]=4 2264 B15R2.283 OC1C[C@H](CO1)OCc2ccccc2 Amb25284216 [0,0,0,1,0,1|0,0,2]=4 2265 B15R2.388 O=S1(=O)OCCC1Cc2ccccc2 Amb24184094 [0,0,0,1,0,1|2,0,0]=4 2266 B15R2.465 CC1(C)OCCNC1c2ccccc2 Amb25037654 [0,0,0,1,0,1|1,0,1]=4 2267 B15R2.543 CC=1CC(NCCN1)c2ccccc2 Amb24695241 [0,0,0,1,0,1|2,0,0]=4 2268 B15R2.543 O=C1CC(=NCCN1)c2ccccc2 Amb25165904 [0,0,0,1,0,1|1,0,1]=4 2269 B15R2.543 O=C1CC(CCCC1)c2ccccc2 Amb22059558 [0,0,0,1,0,1|1,0,0]=3 2270 B15R2.543 O=C1CC(CCCN1)c2ccccc2 Amb24716771 [0,0,0,1,0,1|1,0,0]=3 2271 B15R2.543 O=C1CC(NCCN1)c2cc[n]cc2 Amb18564861 [0,0,0,1,0,1|2,0,0]=4 2272 B15R2.543 O=C1CC(NCCN1)c2ccc[n]c2 Amb18564860 [0,0,0,1,0,1|2,0,0]=4 2273 B15R2.543 O=C1CC(NCCN1)c2cccc[n]2 Amb18564859 [0,0,0,1,0,1|2,0,0]=4 2274 B15R2.543 O=C1CC(NCCN1)c2ccccc2 Amb22056041 [0,0,0,1,0,1|1,0,0]=3 2275 B15R2.543 O=C1CC(SCCN1)c2ccccc2 Amb22642284 [0,0,0,1,0,1|1,0,0]=3 2276 B15R2.543 O=C1CCCCC(N1)c2ccccc2 Amb25050480 [0,0,0,1,0,1|2,0,0]=4 2277 B15R2.543 O=C1CN(CCCN1)c2ccccc2 Amb25289905 [0,0,0,1,0,1|1,0,0]=3 2278 B15R2.543 O=C1NC(C=CCO1)c2ccccc2 Amb25166000 [0,0,0,1,0,1|1,0,1]=4 2279 B15R2.569 O=C1CCCCCc2ccccc2N1 Amb25782148 [0,0,0,1,0,1|2,0,0]=4 2280 B15R2.569 O=C1CCCCOc2ccccc2N1 Amb25738075 [0,0,0,1,0,1|2,0,0]=4 2281 B15R2.569 O=S1Cc2ccccc2NCCCC1 Amb24711576 [0,0,0,1,0,1|2,0,0]=4 2282 B15R2.617 O=C1CC(C1)COCc2ccccc2 Amb10873134 [0,0,0,1,0,1|1,0,0]=3 2283 B15R2.617 O=C1CC(CC#Cc2ccccc2)N1 Amb25339313 [0,0,0,1,0,1|1,0,1]=4 2284 B15R2.617 O=C1CC(C\C=C\c2ccccc2)N1 Amb25785602 [0,0,0,1,0,1|1,0,1]=4 2285 B15R2.617 O=C1C[C@H](COCc2ccccc2)N1 Amb25727775 [0,0,0,1,0,1|1,0,0]=3 2286 B15R2.1220 OC(=O)C1CC1COc2ccccc2 Amb23538747 [0,0,0,1,0,1|2,0,0]=4 2287 B15R2.1220 OC(=O)C1CC1OCc2ccccc2 Amb24498258 [0,0,0,1,0,1|2,0,0]=4 2288 B15R2.1220 OC(=O)[C@@H]1C[C@@H]1CNc2ccccc2 Amb25095966 [0,0,0,1,0,1|2,0,0]=4 2289 B15R2.1222 NC(=O)N[C@@H]1C[C@H]1Oc2ccccc2 Amb25270115 [0,0,0,1,0,1|2,0,0]=4 2290 B15R2.1223 CC(=O)NC1COC1c2ccccc2 Amb24658434 [0,0,0,1,0,1|1,0,0]=3 2291 B15R2.1223 CC(=O)N[C@H]1CO[C@@H]1c2ccccc2 Amb24512968 [0,0,0,1,0,1|1,0,0]=3 2292 B15R2.1223 OC(=O)CC1CCC1c2ccccc2 Amb24440212 [0,0,0,1,0,1|2,0,0]=4 2293 B15R2.1223 OC(=O)C[C@@H]1CC[C@@H]1c2ccccc2 Amb24595017 [0,0,0,1,0,1|2,0,0]=4 2294 B15R2.1226 CC(=O)\C=C\C1OC1c2ccccc2 Amb24498948 [0,0,0,1,0,1|1,0,1]=4 2295 B15R2.1226 OC(=O)C#CC1CC1c2ccccc2 Amb24680786 [0,0,0,1,0,1|2,0,0]=4 2296 B15R2.1241 NC(=O)C1CCC1Cc2ccccc2 Amb25301776 [0,0,0,1,0,1|2,0,0]=4 2297 B15R2.1241 NC(=O)C1CCN1Cc2ccccc2 Amb22227870 [0,0,0,1,0,1|2,0,0]=4 2298 B15R2.1241 NC(=O)[C@@H]1CC[C@@H]1Cc2ccccc2 Amb24519177 [0,0,0,1,0,1|2,0,0]=4 2299 B15R2.1241 NC(=O)[C@H]1CC[C@@H]1Cc2ccccc2 Amb25212331 [0,0,0,1,0,1|2,0,0]=4 2300 B15R2.1241 OC(=O)C1CCC1Cc2ccccc2 Amb25068202 [0,0,0,1,0,1|2,0,0]=4 2301 B15R2.1241 OC(=O)[C@@H]1CC[C@@H]1Sc2ccccc2 Amb25284238 [0,0,0,1,0,1|2,0,0]=4 2302 B15R2.1241 OC(=O)[C@H]1CCN1Cc2ccccc2 Amb24595405 [0,0,0,1,0,1|2,0,0]=4 2303 B15R2.7940 CC1(C)OC1CNCc2ccccc2 Amb24720863 [0,0,0,1,0,1|1,0,1]=4 2304 B15R2.68122 CC(=N)NC1CCCc2ccccc21 Amb25205976 [0,0,0,1,0,1|2,0,0]=4 2305 B15R2.68122 CC(=N)NC1CCOc2ccccc21 Amb25099689 [0,0,0,1,0,1|2,0,0]=4 2306 B15R2.68122 CC(=O)CC1CCOc2ccccc21 Amb22284632 [0,0,0,1,0,1|1,0,0]=3 2307 B15R2.68122 CC(=O)CC1NCCc2ccccc21 Amb24666552 [0,0,0,1,0,1|1,0,0]=3 2308 B15R2.68122 CC(=O)CC1OCCc2ccccc21 Amb22284624 [0,0,0,1,0,1|1,0,0]=3 2309 B15R2.68122 CC(=O)C[C@@H]1NCCc2ccccc21 Amb25181350 [0,0,0,1,0,1|1,0,0]=3 2310 B15R2.68122 CC(=O)C[C@H]1NCCc2ccccc21 Amb25738036 [0,0,0,1,0,1|1,0,0]=3 2311 B15R2.68122 CC(=O)NC1=CCCc2ccccc21 Amb24072083 [0,0,0,1,0,1|1,0,1]=4 2312 B15R2.68122 CC(=O)NC1C=CCc2ccccc21 Amb25307934 [0,0,0,1,0,1|1,0,1]=4 2313 B15R2.68122 CC(=O)NC1CCCc2c[n]ccc21 Amb24072463 [0,0,0,1,0,1|2,0,0]=4 2314 B15R2.68122 CC(=O)NC1CCCc2cc[n]cc21 Amb24072465 [0,0,0,1,0,1|2,0,0]=4 2315 B15R2.68122 CC(=O)NC1CCCc2ccc[n]c21 Amb24072466 [0,0,0,1,0,1|2,0,0]=4 2316 B15R2.68122 CC(=O)NC1CCOc2c1cccc2 Amb17601430 [0,0,0,1,0,1|1,0,0]=3 2317 B15R2.68122 CC(=O)NC1CCOc2ccc[n]c21 Amb25165968 [0,0,0,1,0,1|2,0,0]=4 2318 B15R2.68122 CC(=O)NC1CNCc2ccccc21 Amb19110548 [0,0,0,1,0,1|1,0,0]=3 2319 B15R2.68122 CC(=O)NC1NCCc2ccccc21 Amb24096242 [0,0,0,1,0,1|1,0,0]=3 2320 B15R2.68122 CC(=O)NC1SCCc2ccccc21 Amb24640408 [0,0,0,1,0,1|1,0,0]=3 2321 B15R2.68122 CC(=O)N[C@@H]1CCCc2[n]cccc21 Amb24336632 [0,0,0,1,0,1|2,0,0]=4 2322 B15R2.68122 CC(=O)N[C@@H]1CCCc2c[n]ccc21 Amb24468200 [0,0,0,1,0,1|2,0,0]=4 2323 B15R2.68122 CC(=O)N[C@@H]1CCCc2ccc[n]c21 Amb25335522 [0,0,0,1,0,1|2,0,0]=4 2324 B15R2.68122 CC(=O)N[C@@H]1CCOc2ccccc21 Amb24444442 [0,0,0,1,0,1|1,0,0]=3 2325 B15R2.68122 CC(=O)N[C@H]1CCCc2c[n]ccc21 Amb24342584 [0,0,0,1,0,1|2,0,0]=4 2326 B15R2.68122 CC(=O)N[C@H]1CCCc2ccccc21 Amb25131172 [0,0,0,1,0,1|1,0,0]=3 2327 B15R2.68122 CC(=O)N[C@H]1CCOc2ccccc21 Amb24417988 [0,0,0,1,0,1|1,0,0]=3 2328 B15R2.68122 CC(=O)OC1=CCCc2ccccc21 Amb25800815 [0,0,0,1,0,1|0,0,1]=3 2329 B15R2.68122 CC(=O)OC1CCCc2ccc[n]c21 Amb22057588 [0,0,0,1,0,1|1,0,0]=3 2330 B15R2.68122 CC(=O)OC1CCCc2ccccc21 Amb22170321 [0,0,0,1,0,1|0,0,0]=2 2331 B15R2.68122 CC(=O)OC1NCCc2ccccc21 Amb24666526 [0,0,0,1,0,1|0,0,0]=2 2332 B15R2.68122 CC(C)=CC1NCCc2ccccc21 Amb24747314 [0,0,0,1,0,1|2,0,0]=4 2333 B15R2.68122 CC(C)OC1CCNc2ccccc21 Amb25298275 [0,0,0,1,0,1|1,0,1]=4 2334 B15R2.68122 NC(=O)CC1CCCc2c1cccc2 Amb17234746 [0,0,0,1,0,1|2,0,0]=4 2335 B15R2.68122 NC(=O)CC1CCNc2ccccc21 Amb25802830 [0,0,0,1,0,1|2,0,0]=4 2336 B15R2.68122 NC(=O)CC1CCOc2c1cccc2 Amb17235083 [0,0,0,1,0,1|2,0,0]=4 2337 B15R2.68122 NC(=O)NC1CCOc2ccccc21 Amb19078835 [0,0,0,1,0,1|2,0,0]=4 2338 B15R2.68122 NC(=O)NC1CNCc2ccccc21 Amb25328779 [0,0,0,1,0,1|2,0,0]=4 2339 B15R2.68122 NC(=O)N[C@H]1CCCc2ccccc21 Amb24348067 [0,0,0,1,0,1|2,0,0]=4 2340 B15R2.68122 OC(=O)CC1CCNc2ccccc21 Amb18560225 [0,0,0,1,0,1|2,0,0]=4 2341 B15R2.68122 OC(=O)CC1CCSc2ccccc21 Amb18656285 [0,0,0,1,0,1|2,0,0]=4 2342 B15R2.68122 OC(=O)CC1CNCc2ccccc21 Amb25707947 [0,0,0,1,0,1|2,0,0]=4 2343 B15R2.68122 OC(=O)CC1COCc2ccccc21 Amb24747419 [0,0,0,1,0,1|2,0,0]=4 2344 B15R2.68122 OC(=O)CC1NCCc2c1cccc2 Amb1106535 [0,0,0,1,0,1|2,0,0]=4 2345 B15R2.68122 OC(=O)CC1OCCc2ccccc21 Amb18118374 [0,0,0,1,0,1|2,0,0]=4 2346 B15R2.68122 OC(=O)CC1SCCc2ccccc21 Amb24418447 [0,0,0,1,0,1|2,0,0]=4 2347 B15R2.68122 OC(=O)C[C@@H]1CCCc2ccccc21 Amb24398607 [0,0,0,1,0,1|2,0,0]=4 2348 B15R2.68122 OC(=O)C[C@@H]1OCCc2ccccc21 Amb22745967 [0,0,0,1,0,1|2,0,0]=4 2349 B15R2.68122 OC(=O)C[C@H]1OCCc2ccccc21 Amb20241802 [0,0,0,1,0,1|2,0,0]=4 2350 B15R2.68122 OC(=O)\C=C/1\CCCc2ccccc12 Amb25134559 [0,0,0,1,0,1|2,0,0]=4 2351 B15R2.68122 OC(=O)\C=C\1/CCCc2ccccc12 Amb18538529 [0,0,0,1,0,1|2,0,0]=4 2352 B15R2.68818 CC(C)=CCNC1Cc2ccccc21 Amb24349849 [0,0,0,1,0,1|2,0,0]=4 2353 B15R2.69183 CC(=N)N1CCCOc2ccccc12 Amb25079680 [0,0,0,1,0,1|2,0,0]=4 2354 B15R2.69183 CC(=O)N1CCCNc2[n]cccc12 Amb18818374 [0,0,0,1,0,1|2,0,0]=4 2355 B15R2.69183 CC(=O)N1CCCNc2c[n]ccc12 Amb18818376 [0,0,0,1,0,1|2,0,0]=4 2356 B15R2.69183 CC(=O)N1CCCNc2cc[n]cc12 Amb18818378 [0,0,0,1,0,1|2,0,0]=4 2357 B15R2.69183 CC(=O)N1CCCNc2ccc[n]c12 Amb18818377 [0,0,0,1,0,1|2,0,0]=4 2358 B15R2.69183 CC(=O)N1CCCNc2ccccc12 Amb18819197 [0,0,0,1,0,1|1,0,0]=3 2359 B15R2.69183 CC(=O)N1CCCOc2ccccc12 Amb25125516 [0,0,0,1,0,1|1,0,0]=3 2360 B15R2.69183 CS(=O)N1CCNCc2ccccc12 Amb24570814 [0,0,0,1,0,1|2,0,0]=4 2361 B15R2.69183 NC(=O)C1CCCCc2ccccc21 Amb24692806 [0,0,0,1,0,1|2,0,0]=4 2362 B15R2.69183 NC(=O)N1CCCNc2ccccc12 Amb25818504 [0,0,0,1,0,1|2,0,0]=4 2363 B15R2.69183 NC(=O)N1CCNCc2ccccc12 Amb24525978 [0,0,0,1,0,1|2,0,0]=4 2364 B15R2.69183 NC(=O)N1CCSCc2ccccc12 Amb25123917 [0,0,0,1,0,1|2,0,0]=4 2365 B15R2.69183 OC(=O)C1CCCCc2ccccc21 Amb19040894 [0,0,0,1,0,1|2,0,0]=4 2366 B15R2.69183 OC(=O)C1CCCNc2ccccc21 Amb18818490 [0,0,0,1,0,1|2,0,0]=4 2367 B15R2.69183 OC(=O)C1CCCOc2c1cccc2 Amb17578578 [0,0,0,1,0,1|2,0,0]=4 2368 B15R2.69183 OC(=O)C1CCCSc2ccccc21 Amb18777012 [0,0,0,1,0,1|2,0,0]=4 2369 B15R2.30 Cc1cc([n]cc1)C2CC(=O)CCC2 Amb25308032 [0,1,0,1,0,0|2,0,0]=4 2370 B15R2.30 Cc1cc(ccc1)C2CC(=O)CCC2 Amb18564534 [0,1,0,1,0,0|1,0,0]=3 2371 B15R2.30 Cc1cc(ccc1)C2CC(=O)CCO2 Amb25308518 [0,1,0,1,0,0|2,0,0]=4 2372 B15R2.30 Cc1cc(ccc1)C2CC(=O)NCC2 Amb25223326 [0,1,0,1,0,0|1,0,0]=3 2373 B15R2.30 Cc1cc(ccc1)C2CCCC(=O)O2 Amb25232003 [0,1,0,1,0,0|2,0,0]=4 2374 B15R2.30 Cc1cc(ccc1)C2CCNC(=O)N2 Amb25776173 [0,1,0,1,0,0|2,0,0]=4 2375 B15R2.30 Cc1cc(ccc1)C2CCOC(=O)N2 Amb25680551 [0,1,0,1,0,0|1,0,0]=3 2376 B15R2.30 Cc1cc(ccc1)[C@@H]2CCCC(=O)O2 Amb25837330 [0,1,0,1,0,0|2,0,0]=4 2377 B15R2.30 Cc1cc(ccc1)[C@@H]2CCOC(=O)N2 Amb25251515 [0,1,0,1,0,0|1,0,0]=3 2378 B15R2.30 Cc1cc(ccc1)[C@H]2CCOC(=O)N2 Amb25775919 [0,1,0,1,0,0|1,0,0]=3 2379 B15R2.30 Nc1cc(ccc1)C2CCNC(=O)O2 Amb24514479 [0,1,0,1,0,0|2,0,0]=4 2380 B15R2.30 O=C1CC(CCC1)c2c[n]cc(Br)c2 Amb24716978 [0,1,0,1,0,0|2,0,0]=4 2381 B15R2.30 O=C1CC(CCC1)c2c[n]cc(F)c2 Amb25808326 [0,1,0,1,0,0|2,0,0]=4 2382 B15R2.30 O=C1CC(CCC1)c2cc(Cl)cc[n]2 Amb24604424 [0,1,0,1,0,0|2,0,0]=4 2383 B15R2.30 O=C1CC(CCC1)c2cc[n]c(F)c2 Amb24395364 [0,1,0,1,0,0|2,0,0]=4 2384 B15R2.30 O=C1CC(CCC1)c2cccc(Br)[n]2 Amb24454779 [0,1,0,1,0,0|2,0,0]=4 2385 B15R2.30 O=C1CC(CCC1)c2cccc(Br)c2 Amb24698987 [0,1,0,1,0,0|1,0,0]=3 2386 B15R2.30 O=C1CC(CCC1)c2cccc(Cl)c2 Amb18568611 [0,1,0,1,0,0|1,0,0]=3 2387 B15R2.30 O=C1CC(CCC1)c2cccc(F)[n]2 Amb25826168 [0,1,0,1,0,0|2,0,0]=4 2388 B15R2.30 O=C1CC(CCC1)c2cccc(F)c2 Amb18565094 [0,1,0,1,0,0|1,0,0]=3 2389 B15R2.30 O=C1CC(CCN1)c2cccc(Br)c2 Amb25174220 [0,1,0,1,0,0|1,0,0]=3 2390 B15R2.30 O=C1CC(NCC1)c2cccc(F)c2 Amb18816278 [0,1,0,1,0,0|2,0,0]=4 2391 B15R2.30 O=C1CC(OCC1)c2cccc(F)c2 Amb25671057 [0,1,0,1,0,0|2,0,0]=4 2392 B15R2.30 O=C1CCCC(O1)c2cccc(Br)c2 Amb24336139 [0,1,0,1,0,0|2,0,0]=4 2393 B15R2.30 O=C1CCCC(O1)c2cccc(F)c2 Amb24583498 [0,1,0,1,0,0|2,0,0]=4 2394 B15R2.30 O=C1CCC[C@@H](O1)c2cccc(Br)c2 Amb24382664 [0,1,0,1,0,0|2,0,0]=4 2395 B15R2.30 O=C1CCC[C@H](O1)c2cccc(Br)c2 Amb24469243 [0,1,0,1,0,0|2,0,0]=4 2396 B15R2.30 O=C1CCNC(C1)c2cccc(c2)Br Amb17263738 [0,1,0,1,0,0|2,0,0]=4 2397 B15R2.30 O=C1CCNC(C1)c2cccc(c2)C Amb17234676 [0,1,0,1,0,0|2,0,0]=4 2398 B15R2.30 O=C1CCNC(C1)c2cccc(c2)Cl Amb17240443 [0,1,0,1,0,0|2,0,0]=4 2399 B15R2.30 O=C1NC(CCN1)c2cccc(Br)c2 Amb25699908 [0,1,0,1,0,0|2,0,0]=4 2400 B15R2.30 O=C1NC(CCN1)c2cccc(F)c2 Amb24555116 [0,1,0,1,0,0|2,0,0]=4 2401 B15R2.30 O=C1NC(CCO1)c2cc[n]c(Br)c2 Amb24544364 [0,1,0,1,0,0|2,0,0]=4 2402 B15R2.30 O=C1NC(CCO1)c2cccc(Br)c2 Amb25343545 [0,1,0,1,0,0|1,0,0]=3 2403 B15R2.30 O=C1NC(CCO1)c2cccc(Cl)c2 Amb25048485 [0,1,0,1,0,0|1,0,0]=3 2404 B15R2.30 O=C1NC(CCO1)c2cccc(F)c2 Amb24672741 [0,1,0,1,0,0|1,0,0]=3 2405 B15R2.30 O=C1NCCC(O1)c2cccc(Br)c2 Amb25208566 [0,1,0,1,0,0|2,0,0]=4 2406 B15R2.30 O=C1N[C@@H](CCO1)c2c[n]cc(Br)c2 Amb25132998 [0,1,0,1,0,0|2,0,0]=4 2407 B15R2.30 O=C1N[C@H](CCO1)c2cccc(Br)[n]2 Amb25100369 [0,1,0,1,0,0|2,0,0]=4 2408 B15R2.30 O=C1N[C@H](CCO1)c2cccc(F)c2 Amb25692210 [0,1,0,1,0,0|1,0,0]=3 2409 B15R2.30 Oc1cc(cc[n]1)C2CC(=O)CCC2 Amb25304066 [0,1,0,1,0,0|2,0,0]=4 2410 B15R2.30 Oc1cc(ccc1)C2CCNC(=O)O2 Amb25248911 [0,1,0,1,0,0|2,0,0]=4 2411 B15R2.30 Oc1cc(ccc1)[C@H]2CCOC(=O)N2 Amb25754091 [0,1,0,1,0,0|1,0,0]=3 2412 B15R2.377 CC(=O)NC1CCc2c1ccc(c2)Cl Amb11529735 [0,1,0,1,0,0|1,0,0]=3 2413 B15R2.377 CC(=O)NC1CCc2cc(F)ccc21 Amb24097196 [0,1,0,1,0,0|1,0,0]=3 2414 B15R2.377 CC(=O)N[C@@H]1CCc2cc(F)ccc21 Amb25714585 [0,1,0,1,0,0|1,0,0]=3 2415 B15R2.377 CC(=O)N[C@H]1CCc2cc(F)ccc21 Amb25703654 [0,1,0,1,0,0|1,0,0]=3 2416 B15R2.377 CC(=O)OC1CCc2cc(Cl)c[n]c21 Amb25244733 [0,1,0,1,0,0|1,0,0]=3 2417 B15R2.377 CC(=O)\C=C/1\CCc2cc(Br)ccc12 Amb24736602 [0,1,0,1,0,0|1,0,1]=4 2418 B15R2.377 CC(=O)\C=C/1\CCc2cc(Cl)ccc12 Amb25668137 [0,1,0,1,0,0|1,0,1]=4 2419 B15R2.377 CC(=O)\C=C/1\CCc2cc(F)ccc12 Amb24348549 [0,1,0,1,0,0|1,0,1]=4 2420 B15R2.377 CC(OC1CCc2c1ccc(c2)Br)C Amb13951782 [0,1,0,1,0,0|1,0,1]=4 2421 B15R2.377 CS(=O)NC1CCc2cc(N)ccc21 Amb24589175 [0,1,0,1,0,0|2,0,0]=4 2422 B15R2.377 Nc1ccc2C(CCc2c1)NC(N)=O Amb25301080 [0,1,0,1,0,0|2,0,0]=4 2423 B15R2.377 OC(=O)CC1CCc2c1ccc(c2)C Amb17401399 [0,1,0,1,0,0|2,0,0]=4 2424 B15R2.377 OC(=O)CC1CCc2c1ccc(c2)Cl Amb17404039 [0,1,0,1,0,0|2,0,0]=4 2425 B15R2.377 OC(=O)CC1CCc2c1ccc(c2)F Amb17401845 [0,1,0,1,0,0|2,0,0]=4 2426 B15R2.377 OC(=O)CC1CCc2cc(Br)ccc21 Amb18667671 [0,1,0,1,0,0|2,0,0]=4 2427 B15R2.384 Brc1ccc2c(c1)CCCN2C(=O)C Amb2099591 [0,1,0,1,0,0|1,0,0]=3 2428 B15R2.384 CC(=O)C1CCCc2cc(F)ccc21 Amb25178775 [0,1,0,1,0,0|1,0,0]=3 2429 B15R2.384 CC(=O)N1CCCc2cc(Cl)ccc12 Amb18866071 [0,1,0,1,0,0|1,0,0]=3 2430 B15R2.384 CC(=O)N1CCCc2cc(O)ccc12 Amb18650811 [0,1,0,1,0,0|1,0,0]=3 2431 B15R2.384 CC(=O)N1CCNc2cc(Cl)ccc12 Amb18773254 [0,1,0,1,0,0|2,0,0]=4 2432 B15R2.384 CC(=O)N1CCNc2cc(F)ccc12 Amb18815184 [0,1,0,1,0,0|2,0,0]=4 2433 B15R2.384 CC(=O)N1CCNc2cc(O)ccc12 Amb18817392 [0,1,0,1,0,0|2,0,0]=4 2434 B15R2.384 CC(=O)N1CCOc2cc(Br)ccc12 Amb22739668 [0,1,0,1,0,0|2,0,0]=4 2435 B15R2.384 CC(=O)N1CCOc2cc(C)ccc12 Amb17672993 [0,1,0,1,0,0|2,0,0]=4 2436 B15R2.384 CC(=O)N1CCOc2cc(N)ccc12 Amb18565086 [0,1,0,1,0,0|2,0,0]=4 2437 B15R2.384 CC(=O)N1CCOc2cc(O)ccc12 Amb25716211 [0,1,0,1,0,0|2,0,0]=4 2438 B15R2.384 Cc1cc2CCCC(C(O)=O)c2cc1 Amb25241218 [0,1,0,1,0,0|2,0,0]=4 2439 B15R2.384 Cc1cc2CCCN(C(=O)Cl)c2cc1 Amb24060059 [0,1,0,1,0,0|2,0,0]=4 2440 B15R2.384 Cc1ccc2c(CCCN2C(C)=N)c1 Amb24608745 [0,1,0,1,0,0|2,0,0]=4 2441 B15R2.384 Cc1ccc2c(CCCN2C(C)=O)c1 Amb25372212 [0,1,0,1,0,0|1,0,0]=3 2442 B15R2.384 Nc1ccc2c(c1)CCCN2C(=O)C Amb13952090 [0,1,0,1,0,0|1,0,0]=3 2443 B15R2.384 OC(=O)C1CCCc2cc(Cl)ccc21 Amb24469335 [0,1,0,1,0,0|2,0,0]=4 2444 B15R2.384 Oc1ccc2C(CCCc2c1)C(O)=O Amb18651067 [0,1,0,1,0,0|2,0,0]=4 2445 B15R2.1115 Cc1cc(CC2CNC(=O)C2)ccc1 Amb24467675 [0,1,0,1,0,0|1,0,0]=3 2446 B15R2.1115 Cc1cc(CC2COC(N)=N2)ccc1 Amb24342877 [0,1,0,1,0,0|2,0,0]=4 2447 B15R2.1115 Cc1cc(CN2CCC(=O)C2)ccc1 Amb19060552 [0,1,0,1,0,0|2,0,0]=4 2448 B15R2.1115 Cc1cc(C[C@H]2COC(N)=N2)ccc1 Amb25077288 [0,1,0,1,0,0|2,0,0]=4 2449 B15R2.1115 Cc1cc(ccc1)SC2CC(=O)CC2 Amb25115278 [0,1,0,1,0,0|2,0,0]=4 2450 B15R2.1115 NC1=N[C@@H](Cc2cccc(Cl)c2)CO1 Amb24547023 [0,1,0,1,0,0|2,0,0]=4 2451 B15R2.1115 NC1=N[C@@H](Cc2cccc(F)c2)CO1 Amb25250688 [0,1,0,1,0,0|2,0,0]=4 2452 B15R2.1115 Nc1cc(CC2CCC(=O)N2)ccc1 Amb18819187 [0,1,0,1,0,0|2,0,0]=4 2453 B15R2.1115 O=C1CC(CC1)Oc2cccc(Cl)c2 Amb24455234 [0,1,0,1,0,0|2,0,0]=4 2454 B15R2.1115 O=C1CC(CC1)Sc2cccc(Br)c2 Amb24521190 [0,1,0,1,0,0|2,0,0]=4 2455 B15R2.1115 O=C1CC(CC1)Sc2cccc(Cl)c2 Amb24510809 [0,1,0,1,0,0|2,0,0]=4 2456 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CC1 Amb25710201 [0,1,0,1,0,0|1,0,0]=3 2457 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,1,0,1,0,0|0,0,0]=2 2458 B15R2.1115 O=C1CCC(Cc2cccc(F)c2)N1 Amb25058334 [0,1,0,1,0,0|2,0,0]=4 2459 B15R2.1115 O=C1NCC(Cc2cccc(Cl)c2)O1 Amb25103692 [0,1,0,1,0,0|2,0,0]=4 2460 B15R2.1115 O=C1NCC(Cc2cccc(F)c2)O1 Amb24506386 [0,1,0,1,0,0|2,0,0]=4 2461 B15R2.1115 Oc1cc(CC2CCC(=O)O2)ccc1 Amb20668453 [0,1,0,1,0,0|2,0,0]=4 2462 B15R2.1115 Oc1cc(CC2CNC(=O)C2)ccc1 Amb25843139 [0,1,0,1,0,0|1,0,0]=3 2463 B15R2.1115 Oc1cc(C[C@@H]2CCC(=O)O2)ccc1 Amb24506328 [0,1,0,1,0,0|2,0,0]=4 2464 B15R2.1115 Oc1cc(C[C@H]2CCC(=O)O2)ccc1 Amb25073401 [0,1,0,1,0,0|2,0,0]=4 2465 B15R2.7127 Cc1cc(ccc1)C2CCC2C(O)=O Amb25117791 [0,1,0,1,0,0|2,0,0]=4 2466 B15R2.7127 OC(=O)C1CCC1c2cccc(Cl)c2 Amb25181567 [0,1,0,1,0,0|2,0,0]=4 2467 B15R2.7127 OC(=O)C1CCC1c2cccc(F)c2 Amb24349494 [0,1,0,1,0,0|2,0,0]=4 2468 B15R2.7134 OC(=O)CC1CC1c2cccc(c2)Br Amb17264230 [0,1,0,1,0,0|2,0,0]=4 2469 B15R2.7134 OC(=O)CC1CC1c2cccc(c2)C Amb17234890 [0,1,0,1,0,0|2,0,0]=4 2470 B15R2.7134 OC(=O)CC1CC1c2cccc(c2)Cl Amb17240726 [0,1,0,1,0,0|2,0,0]=4 2471 B15R2.7151 OC(=O)C1CC1Cc2cccc(F)c2 Amb24615960 [0,1,0,1,0,0|2,0,0]=4 2472 B15R2.13624 CC(=O)OC1CNc2cccc(Cl)c21 Amb24579301 [0,1,0,1,0,0|1,0,0]=3 2473 B15R2.13624 OC(=O)CC1CCc2c1c(C)ccc2 Amb17401400 [0,1,0,1,0,0|2,0,0]=4 2474 B15R2.13624 OC(=O)CC1CCc2c1c(Cl)ccc2 Amb17404040 [0,1,0,1,0,0|2,0,0]=4 2475 B15R2.13624 OC(=O)CC1CCc2c1c(F)ccc2 Amb17401846 [0,1,0,1,0,0|2,0,0]=4 2476 B15R2.15036 O=C1CCCCc2cc(Cl)ccc2N1 Amb24336754 [0,1,0,1,0,0|2,0,0]=4 2477 B15R2.15418 O=C1CC(C1)OCc2cccc(Br)c2 Amb25135618 [0,1,0,1,0,0|2,0,0]=4 2478 B15R2.15418 O=C1CC(C1)OCc2cccc(Cl)c2 Amb25106163 [0,1,0,1,0,0|2,0,0]=4 2479 B15R2.61345 CC(=O)N1CCCc2cccc(O)c12 Amb22750994 [0,1,0,1,0,0|1,0,0]=3 2480 B15R2.61345 CS(=O)N1CCCc2cccc(O)c12 Amb24647622 [0,1,0,1,0,0|2,0,0]=4 2481 B15R2.61345 Cc1cccc2CCCC(C(O)=O)c21 Amb18650539 [0,1,0,1,0,0|2,0,0]=4 2482 B15R2.61345 Cc1cccc2CCCN(C(=O)Cl)c21 Amb24060062 [0,1,0,1,0,0|2,0,0]=4 2483 B15R2.61345 Cc1cccc2CCCN(c12)C(C)=O Amb22000047 [0,1,0,1,0,0|1,0,0]=3 2484 B15R2.61345 NC(=O)N1CCCc2cccc(O)c12 Amb25670950 [0,1,0,1,0,0|2,0,0]=4 2485 B15R2.61345 OC(=O)C1CCCc2cccc(F)c21 Amb24679275 [0,1,0,1,0,0|2,0,0]=4 2486 B15R2.305 Cc1ccccc1CC2CC(=O)CC2 Amb25783494 [0,1,0,1,0,0|1,0,0]=3 2487 B15R2.305 Cc1ccccc1CC2CNC(=O)O2 Amb25035880 [0,1,0,1,0,0|2,0,0]=4 2488 B15R2.305 Cc1ccccc1CC2COC(N)=N2 Amb24402930 [0,1,0,1,0,0|2,0,0]=4 2489 B15R2.305 Cc1ccccc1CN2CCC(=O)C2 Amb19060551 [0,1,0,1,0,0|2,0,0]=4 2490 B15R2.305 Cc1ccccc1C[C@H]2COC(N)=N2 Amb25165985 [0,1,0,1,0,0|2,0,0]=4 2491 B15R2.305 Cc1ccccc1OC2CC(=O)CC2 Amb25121510 [0,1,0,1,0,0|2,0,0]=4 2492 B15R2.305 Cc1ccccc1SC2CC(=O)CC2 Amb24510808 [0,1,0,1,0,0|2,0,0]=4 2493 B15R2.305 NC1=N[C@@H](Cc2ccccc2F)CO1 Amb25165986 [0,1,0,1,0,0|2,0,0]=4 2494 B15R2.305 Nc1cc[n]cc1CC2CC(=O)CC2 Amb25354439 [0,1,0,1,0,0|2,0,0]=4 2495 B15R2.305 O=C1CC(CC1)Oc2ccccc2Cl Amb25664429 [0,1,0,1,0,0|2,0,0]=4 2496 B15R2.305 O=C1CC(CC1)Sc2ccccc2Cl Amb24751564 [0,1,0,1,0,0|2,0,0]=4 2497 B15R2.305 O=C1CC(CC1)Sc2ccccc2F Amb25358143 [0,1,0,1,0,0|2,0,0]=4 2498 B15R2.305 O=C1CC(Cc2ccccc2Cl)CN1 Amb24641482 [0,1,0,1,0,0|1,0,0]=3 2499 B15R2.305 O=C1CCC(Cc2ccccc2Cl)N1 Amb24412617 [0,1,0,1,0,0|2,0,0]=4 2500 B15R2.305 O=C1CCC(Cc2ccccc2F)N1 Amb24431534 [0,1,0,1,0,0|2,0,0]=4 2501 B15R2.305 O=C1NC(Cc2ccccc2Br)CO1 Amb25216305 [0,1,0,1,0,0|1,0,0]=3 2502 B15R2.305 O=C1NCC(Cc2ccccc2Br)O1 Amb25742899 [0,1,0,1,0,0|2,0,0]=4 2503 B15R2.305 Oc1ccccc1CC2CNC(=O)O2 Amb18651410 [0,1,0,1,0,0|2,0,0]=4 2504 B15R2.305 Oc1ccccc1CC2COC(=O)N2 Amb25270775 [0,1,0,1,0,0|1,0,0]=3 2505 B15R2.332 CC=1CCCC(C1)c2ccccc2O Amb25730264 [0,1,0,1,0,0|2,0,0]=4 2506 B15R2.332 Cc1[n]cccc1C2CC(=O)CCC2 Amb25847938 [0,1,0,1,0,0|2,0,0]=4 2507 B15R2.332 Cc1c[n]ccc1C2CC(=O)CCC2 Amb25714673 [0,1,0,1,0,0|2,0,0]=4 2508 B15R2.332 Cc1ccccc1C2CC(=O)CCC2 Amb18564533 [0,1,0,1,0,0|1,0,0]=3 2509 B15R2.332 Cc1ccccc1C2CC(=O)NCC2 Amb25174221 [0,1,0,1,0,0|1,0,0]=3 2510 B15R2.332 Cc1ccccc1C2CCCC(=O)O2 Amb24406574 [0,1,0,1,0,0|2,0,0]=4 2511 B15R2.332 Cc1ccccc1C2CCOC(=O)N2 Amb24734849 [0,1,0,1,0,0|1,0,0]=3 2512 B15R2.332 Cc1ccccc1[C@@H]2CCCC(=O)O2 Amb24415271 [0,1,0,1,0,0|2,0,0]=4 2513 B15R2.332 Nc1cc[n]cc1C2CC(=O)CCC2 Amb24425281 [0,1,0,1,0,0|2,0,0]=4 2514 B15R2.332 Nc1ccccc1C2CC(=O)CCC2 Amb24731942 [0,1,0,1,0,0|1,0,0]=3 2515 B15R2.332 O=C1CC(CCC1)c2[n]cccc2Br Amb25710269 [0,1,0,1,0,0|2,0,0]=4 2516 B15R2.332 O=C1CC(CCC1)c2[n]cccc2F Amb25797581 [0,1,0,1,0,0|2,0,0]=4 2517 B15R2.332 O=C1CC(CCC1)c2c[n]ccc2Cl Amb25752526 [0,1,0,1,0,0|2,0,0]=4 2518 B15R2.332 O=C1CC(CCC1)c2ccc[n]c2Cl Amb25710461 [0,1,0,1,0,0|2,0,0]=4 2519 B15R2.332 O=C1CC(CCC1)c2ccc[n]c2F Amb25715498 [0,1,0,1,0,0|2,0,0]=4 2520 B15R2.332 O=C1CC(CCC1)c2ccccc2Cl Amb18568610 [0,1,0,1,0,0|1,0,0]=3 2521 B15R2.332 O=C1CC(CCC1)c2ccccc2F Amb21959247 [0,1,0,1,0,0|1,0,0]=3 2522 B15R2.332 O=C1CC(CCC1)c2ccccc2I Amb25703727 [0,1,0,1,0,0|1,0,0]=3 2523 B15R2.332 O=C1CC(CCO1)c2ccccc2Cl Amb24507489 [0,1,0,1,0,0|0,0,0]=2 2524 B15R2.332 O=C1CC(CCO1)c2ccccc2F Amb25697474 [0,1,0,1,0,0|0,0,0]=2 2525 B15R2.332 O=C1CC(OCC1)c2ccccc2F Amb25698510 [0,1,0,1,0,0|2,0,0]=4 2526 B15R2.332 O=C1CCCC(O1)c2ccccc2Br Amb25785097 [0,1,0,1,0,0|2,0,0]=4 2527 B15R2.332 O=C1CCC[C@@H](O1)c2ccccc2Cl Amb24351353 [0,1,0,1,0,0|2,0,0]=4 2528 B15R2.332 O=C1CCC[C@@H](O1)c2ccccc2I Amb24696371 [0,1,0,1,0,0|2,0,0]=4 2529 B15R2.332 O=C1CCC[C@H](O1)c2ccccc2Cl Amb24443872 [0,1,0,1,0,0|2,0,0]=4 2530 B15R2.332 O=C1CCNC(C1)c2ccccc2C Amb17234674 [0,1,0,1,0,0|2,0,0]=4 2531 B15R2.332 O=C1CCNC(C1)c2ccccc2Cl Amb17240441 [0,1,0,1,0,0|2,0,0]=4 2532 B15R2.332 O=C1CCNC(C1)c2ccccc2F Amb17235572 [0,1,0,1,0,0|2,0,0]=4 2533 B15R2.332 O=C1CN(CCC1)c2ccccc2F Amb24662609 [0,1,0,1,0,0|2,0,0]=4 2534 B15R2.332 O=C1C[C@H](CCC1)c2ccccc2F Amb25807971 [0,1,0,1,0,0|1,0,0]=3 2535 B15R2.332 O=C1NC(CCO1)c2cc[n]cc2Cl Amb24734872 [0,1,0,1,0,0|2,0,0]=4 2536 B15R2.332 O=C1NC(CCO1)c2ccc[n]c2F Amb25105871 [0,1,0,1,0,0|2,0,0]=4 2537 B15R2.332 O=C1NC(CCO1)c2ccccc2Br Amb24414848 [0,1,0,1,0,0|1,0,0]=3 2538 B15R2.332 O=C1NCCN(C1)c2ccccc2N Amb1113930 [0,1,0,1,0,0|2,0,0]=4 2539 B15R2.332 O=C1N[C@@H](CCO1)c2cc[n]cc2Cl Amb25214321 [0,1,0,1,0,0|2,0,0]=4 2540 B15R2.332 O=C1N[C@@H](CCO1)c2ccc[n]c2Br Amb24731915 [0,1,0,1,0,0|2,0,0]=4 2541 B15R2.332 O=C1N[C@@H](CCO1)c2ccccc2Cl Amb25038273 [0,1,0,1,0,0|1,0,0]=3 2542 B15R2.332 O=C1N[C@H](CCO1)c2cc[n]cc2Cl Amb25252791 [0,1,0,1,0,0|2,0,0]=4 2543 B15R2.332 O=C1N[C@H](CCO1)c2ccc[n]c2F Amb24386543 [0,1,0,1,0,0|2,0,0]=4 2544 B15R2.332 O=C1N[C@H](CCO1)c2ccccc2Cl Amb25260780 [0,1,0,1,0,0|1,0,0]=3 2545 B15R2.332 Oc1[n]cccc1C2CC(=O)CCC2 Amb25126739 [0,1,0,1,0,0|2,0,0]=4 2546 B15R2.332 Oc1ccc[n]c1C2CC(=O)CCC2 Amb25315298 [0,1,0,1,0,0|2,0,0]=4 2547 B15R2.332 Oc1ccccc1C2CC(=O)CCC2 Amb22464486 [0,1,0,1,0,0|1,0,0]=3 2548 B15R2.332 Oc1ccccc1C2CC(=O)OCC2 Amb25347463 [0,1,0,1,0,0|0,0,0]=2 2549 B15R2.332 Oc1ccccc1C2CCOC(=O)N2 Amb25080249 [0,1,0,1,0,0|1,0,0]=3 2550 B15R2.332 Oc1ccccc1N2CCNC(=O)C2 Amb25207958 [0,1,0,1,0,0|2,0,0]=4 2551 B15R2.546 O=C1CCCCc2ccccc2CN1 Amb24594306 [0,1,0,1,0,0|1,0,0]=3 2552 B15R2.1237 CC(=N)N1Cc2ccccc2CCC1 Amb25351229 [0,1,0,1,0,0|2,0,0]=4 2553 B15R2.1237 CC(=O)N1Cc2ccccc2CCC1 Amb24510601 [0,1,0,1,0,0|1,0,0]=3 2554 B15R2.1237 CC(=O)N1Cc2ccccc2OCC1 Amb20512765 [0,1,0,1,0,0|2,0,0]=4 2555 B15R2.1237 NC(=O)C1CCCc2ccccc2N1 Amb22546373 [0,1,0,1,0,0|2,0,0]=4 2556 B15R2.1237 OC(=O)C1CCCc2ccccc2N1 Amb18818503 [0,1,0,1,0,0|2,0,0]=4 2557 B15R2.1237 OC(=O)C1CCCc2ccccc2O1 Amb25210429 [0,1,0,1,0,0|2,0,0]=4 2558 B15R2.1237 OC(=O)C1Cc2ccccc2CCC1 Amb25690195 [0,1,0,1,0,0|2,0,0]=4 2559 B15R2.1237 OC(=O)C=1CCCc2ccccc2C1 Amb25808770 [0,1,0,1,0,0|2,0,0]=4 2560 B15R2.1660 CC(=O)CCC1Cc2ccccc2O1 Amb25728138 [0,1,0,1,0,0|1,0,0]=3 2561 B15R2.1660 CC(=O)CCN1Cc2ccccc2C1 Amb19077882 [0,1,0,1,0,0|2,0,0]=4 2562 B15R2.1660 CC(=O)NCC1Cc2ccccc2O1 Amb25789215 [0,1,0,1,0,0|1,0,0]=3 2563 B15R2.1660 CC(=O)NCC1Oc2ccccc2O1 Amb25055860 [0,1,0,1,0,0|2,0,0]=4 2564 B15R2.1660 CC(=O)OCc1[nH]c2ccccc2[n]1 Amb25240036 [0,1,0,1,0,0|1,0,1]=4 2565 B15R2.1660 CC(=O)OCc1[n]c2ccccc2o1 Amb25221541 [0,1,0,1,0,0|1,0,1]=4 2566 B15R2.1660 CC(=O)OCc1cc2ccccc2[nH]1 Amb24418466 [0,1,0,1,0,0|0,0,2]=4 2567 B15R2.1660 CC(=O)OCc1cc2ccccc2[s]1 Amb24103866 [0,1,0,1,0,0|0,0,2]=4 2568 B15R2.1660 NC(=O)NCC1Cc2ccccc2O1 Amb19073812 [0,1,0,1,0,0|2,0,0]=4 2569 B15R2.1660 OC(=O)CCC1Cc2ccccc2N1 Amb25341359 [0,1,0,1,0,0|2,0,0]=4 2570 B15R2.1660 OC(=O)CCC1Cc2ccccc2O1 Amb24684259 [0,1,0,1,0,0|2,0,0]=4 2571 B15R2.1668 CC(=O)CC1CCc2ccccc2N1 Amb25679033 [0,1,0,1,0,0|1,0,0]=3 2572 B15R2.1668 CC(=O)CC=1CCc2ccccc2C1 Amb24433358 [0,1,0,1,0,0|1,0,1]=4 2573 B15R2.1668 CC(=O)C[C@H]1CCc2ccccc2N1 Amb25040539 [0,1,0,1,0,0|1,0,0]=3 2574 B15R2.1668 CC(=O)NC1CCc2ccccc2N1 Amb24096243 [0,1,0,1,0,0|1,0,0]=3 2575 B15R2.1668 CC(=O)NC1CNc2ccccc2N1 Amb24650027 [0,1,0,1,0,0|2,0,0]=4 2576 B15R2.1668 CC(=O)NC1Cc2[n]cccc2CC1 Amb24072464 [0,1,0,1,0,0|2,0,0]=4 2577 B15R2.1668 CC(=O)NC=1CCc2ccccc2C1 Amb24072085 [0,1,0,1,0,0|1,0,1]=4 2578 B15R2.1668 CC(=O)N[C@@H]1Cc2ccccc2OC1 Amb25126159 [0,1,0,1,0,0|2,0,0]=4 2579 B15R2.1668 CC(=O)N[C@H]1Cc2ccccc2CC1 Amb25289257 [0,1,0,1,0,0|1,0,0]=3 2580 B15R2.1668 CC(=O)OC=1CCc2ccccc2C1 Amb22480812 [0,1,0,1,0,0|0,0,1]=3 2581 B15R2.1668 CC(=O)\C=C/1\CCc2ccccc2N1 Amb24563182 [0,1,0,1,0,0|1,0,1]=4 2582 B15R2.1668 CC(=O)\C=C\1/Cc2ccccc2CC1 Amb24736604 [0,1,0,1,0,0|1,0,1]=4 2583 B15R2.1668 NC(=O)NC1Cc2ccccc2CC1 Amb19073000 [0,1,0,1,0,0|2,0,0]=4 2584 B15R2.1668 OC(=O)CC1CCc2ccccc2C1 Amb17940131 [0,1,0,1,0,0|2,0,0]=4 2585 B15R2.1668 OC(=O)C[C@@H]1Cc2ccccc2CC1 Amb24498393 [0,1,0,1,0,0|2,0,0]=4 2586 B15R2.1668 OC(=O)C[C@H]1Cc2ccccc2CC1 Amb24498392 [0,1,0,1,0,0|2,0,0]=4 2587 B15R2.8792 OC(=O)C1CCC1c2ccccc2Cl Amb25801262 [0,1,0,1,0,0|2,0,0]=4 2588 B15R2.8792 OC(=O)C1CCC1c2ccccc2F Amb25165314 [0,1,0,1,0,0|2,0,0]=4 2589 B15R2.8795 NC(=O)NC1CC1c2ccccc2Cl Amb25108309 [0,1,0,1,0,0|2,0,0]=4 2590 B15R2.8795 OC(=O)CC1CC1c2ccccc2C Amb17234889 [0,1,0,1,0,0|2,0,0]=4 2591 B15R2.8795 OC(=O)CC1CC1c2ccccc2Cl Amb17240725 [0,1,0,1,0,0|2,0,0]=4 2592 B15R2.8795 OC(=O)CC1CC1c2ccccc2F Amb17235877 [0,1,0,1,0,0|2,0,0]=4 2593 B15R2.8833 O=C1CC(C1)OCc2ccccc2Br Amb25740689 [0,1,0,1,0,0|2,0,0]=4 2594 B15R2.8833 O=C1CC(C1)OCc2ccccc2Cl Amb25730425 [0,1,0,1,0,0|2,0,0]=4 2595 B15R2.8833 O=C1CC(C1)OCc2ccccc2F Amb25749886 [0,1,0,1,0,0|2,0,0]=4 2596 B15R2.13587 CC(=O)NC1CCc2c(Br)cccc21 Amb22101319 [0,1,0,1,0,0|1,0,0]=3 2597 B15R2.13587 CC(=O)OC1CCc2c(Cl)cc[n]c21 Amb21858841 [0,1,0,1,0,0|1,0,0]=3 2598 B15R2.13587 CC(=O)OC1CCc2c(N)cccc21 Amb18129897 [0,1,0,1,0,0|0,0,0]=2 2599 B15R2.13587 CC(=O)OC1CCc2c(O)cccc21 Amb25373282 [0,1,0,1,0,0|0,0,0]=2 2600 B15R2.13587 Cc1cccc2c1CCC2CC(=O)N Amb17234742 [0,1,0,1,0,0|2,0,0]=4 2601 B15R2.13587 Cc1cccc2c1CCC2CC(=O)O Amb17234920 [0,1,0,1,0,0|2,0,0]=4 2602 B15R2.13587 NC(=O)CC1CCc2c1cccc2Cl Amb17240477 [0,1,0,1,0,0|2,0,0]=4 2603 B15R2.13587 NC(=O)CC1CCc2c1cccc2F Amb17235598 [0,1,0,1,0,0|2,0,0]=4 2604 B15R2.13587 OC(=O)CC1CCc2c1cccc2Cl Amb17240753 [0,1,0,1,0,0|2,0,0]=4 2605 B15R2.13587 OC(=O)CC1CCc2c1cccc2F Amb17235893 [0,1,0,1,0,0|2,0,0]=4 2606 B15R2.13587 Oc1cccc2C(CCc12)CC(O)=O Amb25068340 [0,1,0,1,0,0|2,0,0]=4 2607 B15R2.13610 OC(=O)CCC1Cc2c(Cl)cccc21 Amb24759092 [0,1,0,1,0,0|2,0,0]=4 2608 B15R2.13611 CC(=O)C1CCCc2c(F)cccc21 Amb24638073 [0,1,0,1,0,0|1,0,0]=3 2609 B15R2.13611 CC(=O)N1CCCc2c(N)cccc12 Amb18061632 [0,1,0,1,0,0|1,0,0]=3 2610 B15R2.13611 CC(=O)N1CCCc2c(O)cccc12 Amb22750993 [0,1,0,1,0,0|1,0,0]=3 2611 B15R2.13611 CC(=O)N1CCNc2c(F)cccc12 Amb18815185 [0,1,0,1,0,0|2,0,0]=4 2612 B15R2.13611 CC(=O)N1CCOc2c(N)cccc12 Amb18565087 [0,1,0,1,0,0|2,0,0]=4 2613 B15R2.13611 CS(=O)N1CCCc2c(N)cccc12 Amb24665594 [0,1,0,1,0,0|2,0,0]=4 2614 B15R2.13611 Cc1cccc2C(CCCc21)C(O)=O Amb24498208 [0,1,0,1,0,0|2,0,0]=4 2615 B15R2.13611 Oc1cccc2C(CCCc12)C(O)=O Amb22494125 [0,1,0,1,0,0|2,0,0]=4 2616 B15R2.14896 Cc1ccccc1CC2CC2C(O)=O Amb24697069 [0,1,0,1,0,0|2,0,0]=4 2617 B15R2.14896 OC(=O)C1CC1Cc2ccccc2Br Amb24628240 [0,1,0,1,0,0|2,0,0]=4 2618 B15R2.59 CC(=O)C1CNC(C1)c2ccccc2 Amb25778258 [0,1,0,1,0,0|2,0,0]=4 2619 B15R2.59 CC(=O)N1CNC(C1)c2ccccc2 Amb22757115 [0,1,0,1,0,0|2,0,0]=4 2620 B15R2.59 NC(=O)C1CCC(C1)c2ccccc2 Amb24398655 [0,1,0,1,0,0|2,0,0]=4 2621 B15R2.59 NC(=O)N1CCC(C1)c2ccccc2 Amb19078282 [0,1,0,1,0,0|2,0,0]=4 2622 B15R2.59 NC(=O)[C@H]1CC[C@@H](N1)c2ccccc2 Amb24526357 [0,1,0,1,0,0|2,0,0]=4 2623 B15R2.59 OC(=O)C1CCC(C1)c2ccccc2 Amb18564699 [0,1,0,1,0,0|2,0,0]=4 2624 B15R2.59 OC(=O)C1CCC(O1)c2ccccc2 Amb24729953 [0,1,0,1,0,0|2,0,0]=4 2625 B15R2.59 OC(=O)[C@@H]1CC[C@@H](N1)c2ccccc2 Amb16233449 [0,1,0,1,0,0|2,0,0]=4 2626 B15R2.59 OC(=O)[C@@H]1CC[C@@H](O1)c2ccccc2 Amb24742589 [0,1,0,1,0,0|2,0,0]=4 2627 B15R2.59 OC(=O)[C@@H]1CC[C@H](N1)c2ccccc2 Amb25264385 [0,1,0,1,0,0|2,0,0]=4 2628 B15R2.297 CC(C1CNC(=O)C1)c2ccccc2 Amb25067874 [0,1,0,1,0,0|1,0,0]=3 2629 B15R2.297 CC(C1CNC(=O)O1)c2ccccc2 Amb25037772 [0,1,0,1,0,0|2,0,0]=4 2630 B15R2.297 CC(C1COC(C)O1)c2ccccc2 Amb24065758 [0,1,0,1,0,0|0,0,2]=4 2631 B15R2.297 CC1CC(CO1)C(Br)c2ccccc2 Amb24462134 [0,1,0,1,0,0|1,0,1]=4 2632 B15R2.297 CC1CC(CO1)C(Cl)c2ccccc2 Amb25069969 [0,1,0,1,0,0|1,0,1]=4 2633 B15R2.297 CC1CC(CO1)C(N)c2ccccc2 Amb25167280 [0,1,0,1,0,0|1,0,1]=4 2634 B15R2.297 NC(C1CCC(=O)O1)c2ccccc2 Amb25036871 [0,1,0,1,0,0|2,0,0]=4 2635 B15R2.297 NC(C1COC(=O)N1)c2ccccc2 Amb24347364 [0,1,0,1,0,0|1,0,0]=3 2636 B15R2.297 O=C1CCC(N1)C(Cl)c2ccccc2 Amb24639054 [0,1,0,1,0,0|2,0,0]=4 2637 B15R2.297 O=C1CC[C@H](N1)[C@@H](Cl)c2ccccc2 Amb24520021 [0,1,0,1,0,0|2,0,0]=4 2638 B15R2.297 O=C1O[C@@H](CO1)[C@@H](Cl)c2ccccc2 Amb25317255 [0,1,0,1,0,0|1,0,0]=3 2639 B15R2.297 O=C1O[C@@H](CO1)[C@H](Cl)c2ccccc2 Amb24672562 [0,1,0,1,0,0|1,0,0]=3 2640 B15R2.297 OC(C1CCC(=O)N1)c2ccccc2 Amb25733120 [0,1,0,1,0,0|2,0,0]=4 2641 B15R2.297 OC(C1COC(=O)C1)c2ccccc2 Amb25803001 [0,1,0,1,0,0|0,0,0]=2 2642 B15R2.297 OC(C1COC(=O)N1)c2ccccc2 Amb24418449 [0,1,0,1,0,0|1,0,0]=3 2643 B15R2.297 OC(C1COC(=O)O1)c2ccccc2 Amb24718649 [0,1,0,1,0,0|1,0,0]=3 2644 B15R2.297 O[C@@H](C1CNC(=O)C1)c2ccccc2 Amb25747480 [0,1,0,1,0,0|1,0,0]=3 2645 B15R2.297 O[C@@H]([C@@H]1CCC(=O)O1)c2ccccc2 Amb24613504 [0,1,0,1,0,0|2,0,0]=4 2646 B15R2.297 O[C@@H]([C@H]1CCC(=O)O1)c2ccccc2 Amb24745880 [0,1,0,1,0,0|2,0,0]=4 2647 B15R2.297 O[C@H]([C@@H]1COC(=O)N1)c2ccccc2 Amb24513124 [0,1,0,1,0,0|1,0,0]=3 2648 B15R2.297 O[C@H]([C@H]1COC(=O)C1)c2ccccc2 Amb24719808 [0,1,0,1,0,0|0,0,0]=2 2649 B15R2.297 O[C@H]([C@H]1COC(=O)O1)c2ccccc2 Amb25215369 [0,1,0,1,0,0|1,0,0]=3 2650 B15R2.548 NC=1CCCC(CN1)c2ccccc2 Amb25672635 [0,1,0,1,0,0|2,0,0]=4 2651 B15R2.548 O=C1CCC(CCO1)c2ccccc2 Amb22337540 [0,1,0,1,0,0|0,0,0]=2 2652 B15R2.548 O=C1CCCC(CN1)c2ccccc2 Amb22642248 [0,1,0,1,0,0|1,0,0]=3 2653 B15R2.550 OC1CCCC(=O)Nc2ccccc21 Amb24669056 [0,1,0,1,0,0|2,0,0]=4 2654 B15R2.586 O=S1(=O)NC(CCO1)c2ccccc2 Amb22504516 [0,1,0,1,0,0|2,0,0]=4 2655 B15R2.586 OP1(=O)OC(CCO1)c2ccccc2 Amb22466450 [0,1,0,1,0,0|2,0,0]=4 2656 B15R2.612 CC(CC1CC(=O)N1)c2ccccc2 Amb25728531 [0,1,0,1,0,0|1,0,0]=3 2657 B15R2.612 O=C(CC1CC(=O)N1)c2ccccc2 Amb24499290 [0,1,0,1,0,0|1,0,1]=4 2658 B15R2.612 O=C(C[C@@H]1CC(=O)N1)c2ccccc2 Amb25714545 [0,1,0,1,0,0|1,0,1]=4 2659 B15R2.1113 CC1(CC(=O)CCN1)c2ccccc2 Amb18063211 [0,1,0,1,0,0|2,0,0]=4 2660 B15R2.1113 CC1(CC(=O)CCO1)c2ccccc2 Amb24758389 [0,1,0,1,0,0|2,0,0]=4 2661 B15R2.1113 CC1(CCNC(=O)O1)c2ccccc2 Amb25122729 [0,1,0,1,0,0|2,0,0]=4 2662 B15R2.1113 CC1=NC(C)(CCO1)c2ccccc2 Amb25845275 [0,1,0,1,0,0|1,0,0]=3 2663 B15R2.1113 OC1(CCCC(=O)C1)c2ccccc2 Amb25047686 [0,1,0,1,0,0|1,0,0]=3 2664 B15R2.1224 CC(=O)CC1CC(C1)c2ccccc2 Amb24697037 [0,1,0,1,0,0|1,0,0]=3 2665 B15R2.1224 CC(=O)NC1CC(O1)c2ccccc2 Amb25825184 [0,1,0,1,0,0|1,0,0]=3 2666 B15R2.1224 CC(=O)N[C@@H]1C[C@H](C1)c2ccccc2 Amb25817793 [0,1,0,1,0,0|1,0,0]=3 2667 B15R2.1224 OC(=O)CC1CC(C1)c2ccccc2 Amb25211758 [0,1,0,1,0,0|2,0,0]=4 2668 B15R2.8861 CC1(C)OCCC1(O)c2ccccc2 Amb25777844 [0,1,0,1,0,0|1,0,1]=4 2669 B15R2.14628 CC(=N)N1CCC(C)c2ccccc12 Amb25357181 [0,1,0,1,0,0|2,0,0]=4 2670 B15R2.14628 CC(=O)C1CCC(=O)c2ccccc21 Amb24731766 [0,1,0,1,0,0|1,0,1]=4 2671 B15R2.14628 CC(=O)C1CCC(C)c2ccccc21 Amb25747587 [0,1,0,1,0,0|1,0,0]=3 2672 B15R2.14628 CC(=O)N1CCC(=O)c2c1cccc2 Amb16971728 [0,1,0,1,0,0|1,0,1]=4 2673 B15R2.14628 CC(=O)N1CCC(C)c2ccccc12 Amb22499781 [0,1,0,1,0,0|1,0,0]=3 2674 B15R2.14628 CC(=O)N1CCC(N)c2ccccc12 Amb22059524 [0,1,0,1,0,0|1,0,0]=3 2675 B15R2.14628 CC(=O)N1CCC(c2c1cccc2)O Amb17014286 [0,1,0,1,0,0|1,0,0]=3 2676 B15R2.14628 CC(=O)N1CC[C@@H](N)c2ccccc12 Amb25142068 [0,1,0,1,0,0|1,0,0]=3 2677 B15R2.14628 CC1CCC(c2ccccc21)C(O)=O Amb18650545 [0,1,0,1,0,0|2,0,0]=4 2678 B15R2.14628 CC1CCN(C(=O)Cl)c2ccccc21 Amb24060058 [0,1,0,1,0,0|2,0,0]=4 2679 B15R2.14628 CC1CCN(C(N)=O)c2ccccc21 Amb24703512 [0,1,0,1,0,0|2,0,0]=4 2680 B15R2.14628 CN1CCN(c2ccccc12)C(C)=O Amb24521180 [0,1,0,1,0,0|2,0,0]=4 2681 B15R2.14628 NC(=O)N1CCC(N)c2ccccc12 Amb25185573 [0,1,0,1,0,0|2,0,0]=4 2682 B15R2.14628 NC(=O)N1CCC(O)c2ccccc12 Amb25297649 [0,1,0,1,0,0|2,0,0]=4 2683 B15R2.16289 CC(=C)C1CC1C(O)c2ccccc2 Amb25072407 [0,1,0,1,0,0|2,0,0]=4 2684 B15R2.16289 CC(=C)[C@@H]1C[C@@H]1[C@@H](O)c2ccccc2 Amb25346404 [0,1,0,1,0,0|2,0,0]=4 2685 B15R2.16289 CC(=C)[C@@H]1C[C@@H]1[C@H](O)c2ccccc2 Amb24618823 [0,1,0,1,0,0|2,0,0]=4 2686 B15R2.16289 NC(C1CC1C(O)=O)c2ccccc2 Amb25690366 [0,1,0,1,0,0|2,0,0]=4 2687 B15R2.16289 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)c2ccccc2 Amb24626653 [0,1,0,1,0,0|2,0,0]=4 2688 B15R2.16289 OC(=O)[C@@H]1C[C@@H]1C(O)c2ccccc2 Amb25257998 [0,1,0,1,0,0|2,0,0]=4 2689 B15R2.53147 CC(=O)CN1CC(C)c2ccccc12 Amb24681457 [0,1,0,1,0,0|2,0,0]=4 2690 B15R2.53147 CC(=O)NC1CC(=O)c2ccccc21 Amb24072232 [0,1,0,1,0,0|1,0,1]=4 2691 B15R2.53147 CC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 Amb24540257 [0,1,0,1,0,0|1,0,0]=3 2692 B15R2.53147 CC(=O)N[C@@H]1C[C@H](O)c2ccccc21 Amb24072868 [0,1,0,1,0,0|1,0,0]=3 2693 B15R2.53147 CC(=O)OC1C=C(C)c2ccccc12 Amb17778913 [0,1,0,1,0,0|0,0,2]=4 2694 B15R2.53147 CC(=O)OC1OC(=O)c2ccccc12 Amb17850786 [0,1,0,1,0,0|1,0,1]=4 2695 B15R2.53147 CC(=O)OC1OC(O)c2ccccc21 Amb25837909 [0,1,0,1,0,0|1,0,0]=3 2696 B15R2.53147 CC(=O)\C=C/1\CC(C)c2ccccc21 Amb24359780 [0,1,0,1,0,0|1,0,1]=4 2697 B15R2.53147 CC1C=C(OC(C)=O)c2ccccc12 Amb17778892 [0,1,0,1,0,0|0,0,2]=4 2698 B15R2.53147 NC(=O)CC1CC(c2c1cccc2)C Amb17234747 [0,1,0,1,0,0|2,0,0]=4 2699 B15R2.53147 N[C@@H]1C[C@H](CC(O)=O)c2ccccc21 Amb25295503 [0,1,0,1,0,0|2,0,0]=4 2700 B15R2.53147 N[C@H]1C[C@@H](CC(O)=O)c2ccccc21 Amb25201016 [0,1,0,1,0,0|2,0,0]=4 2701 B15R2.53147 OC(=O)CC1CC(c2c1cccc2)C Amb17234923 [0,1,0,1,0,0|2,0,0]=4 2702 B15R2.53147 OC(=O)CC1CC(c2c1cccc2)N Amb17470780 [0,1,0,1,0,0|2,0,0]=4 2703 B15R2.53147 OC(=O)CC1CC(c2c1cccc2)O Amb17401618 [0,1,0,1,0,0|2,0,0]=4 2704 B15R2.29 CC1CNC(CO1)Cc2ccccc2 Amb18563409 [0,1,0,1,0,0|1,0,1]=4 2705 B15R2.29 O=C1CCC(CC1)Cc2ccccc2 Amb13777318 [0,1,0,1,0,0|1,0,0]=3 2706 B15R2.29 O=C1CCC(CC1)Oc2ccccc2 Amb25825595 [0,1,0,1,0,0|2,0,0]=4 2707 B15R2.29 O=C1CCC(Cc2ccccc2)C=C1 Amb25793582 [0,1,0,1,0,0|1,0,1]=4 2708 B15R2.29 O=C1CNC(Cc2ccccc2)=NO1 Amb24522022 [0,1,0,1,0,0|1,0,1]=4 2709 B15R2.29 O=C1CNC(Cc2ccccc2)CN1 Amb18819212 [0,1,0,1,0,0|1,0,0]=3 2710 B15R2.29 O=C1CN[C@H](Cc2ccccc2)CN1 Amb24763664 [0,1,0,1,0,0|1,0,0]=3 2711 B15R2.29 OC1CCC(CO1)Cc2ccccc2 Amb25356218 [0,1,0,1,0,0|0,0,2]=4 2712 B15R2.33 CC1CNC(=O)CC1c2ccccc2 Amb24624648 [0,1,0,1,0,0|1,0,0]=3 2713 B15R2.33 CC1CNC(=O)OC1c2ccccc2 Amb24393410 [0,1,0,1,0,0|2,0,0]=4 2714 B15R2.33 CC1COC(=O)NC1c2ccccc2 Amb25752560 [0,1,0,1,0,0|1,0,0]=3 2715 B15R2.33 C[C@@H]1CNC(=O)O[C@H]1c2ccccc2 Amb25226347 [0,1,0,1,0,0|2,0,0]=4 2716 B15R2.33 C[C@@H]1COC(=O)N[C@H]1c2ccccc2 Amb24620897 [0,1,0,1,0,0|1,0,0]=3 2717 B15R2.33 NC1CCC(=O)NC1c2ccccc2 Amb17401423 [0,1,0,1,0,0|2,0,0]=4 2718 B15R2.33 NC1COC(=O)CC1c2ccccc2 Amb25743549 [0,1,0,1,0,0|0,0,0]=2 2719 B15R2.33 N[C@@H]1CCC(=O)N[C@@H]1c2ccccc2 Amb25179221 [0,1,0,1,0,0|2,0,0]=4 2720 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1c2ccccc2 Amb24100134 [0,1,0,1,0,0|2,0,0]=4 2721 B15R2.33 O=C1CC[C@@H](Cl)[C@@H](O1)c2ccccc2 Amb24638032 [0,1,0,1,0,0|2,0,0]=4 2722 B15R2.33 O=C1N[C@@H](c2ccccc2)C(=O)CO1 Amb24386496 [0,1,0,1,0,0|1,0,1]=4 2723 B15R2.33 O=C1OCC(Cl)C(O1)c2ccccc2 Amb24422558 [0,1,0,1,0,0|1,0,0]=3 2724 B15R2.33 OC1COC(=O)CC1c2ccccc2 Amb25855725 [0,1,0,1,0,0|0,0,0]=2 2725 B15R2.33 O[C@@H]1CCC(=O)N[C@H]1c2ccccc2 Amb24512952 [0,1,0,1,0,0|2,0,0]=4 2726 B15R2.33 O[C@@H]1COC(=O)C[C@H]1c2ccccc2 Amb24515421 [0,1,0,1,0,0|0,0,0]=2 2727 B15R2.33 O[C@H]1CCC(=O)N[C@H]1c2ccccc2 Amb25285544 [0,1,0,1,0,0|2,0,0]=4 2728 B15R2.596 O=C1CC(N1)S(=O)Cc2ccccc2 Amb24468202 [0,1,0,1,0,0|2,0,0]=4 2729 B15R2.988 CC(=N)N1CC(C)Cc2ccccc12 Amb25043922 [0,1,0,1,0,0|2,0,0]=4 2730 B15R2.988 CC(=O)N1CC(C)Oc2ccccc12 Amb18368568 [0,1,0,1,0,0|2,0,0]=4 2731 B15R2.988 CC(=O)N1CC(O)Cc2ccccc12 Amb25687876 [0,1,0,1,0,0|1,0,0]=3 2732 B15R2.988 CC1Cc2ccccc2N(C1)C(=O)C Amb16979215 [0,1,0,1,0,0|1,0,0]=3 2733 B15R2.988 CC1Cc2ccccc2N(C1)C(=O)Cl Amb24060057 [0,1,0,1,0,0|2,0,0]=4 2734 B15R2.988 OC(=O)C1CC(O)Cc2ccccc21 Amb24753761 [0,1,0,1,0,0|2,0,0]=4 2735 B15R2.993 CC(=O)NC1C(O)Cc2ccccc21 Amb19041152 [0,1,0,1,0,0|1,0,0]=3 2736 B15R2.993 CC(=O)N[C@@H]1C(C)Cc2ccccc21 Amb25270022 [0,1,0,1,0,0|1,0,0]=3 2737 B15R2.993 CC(=O)N[C@@H]1[C@H](O)Cc2ccccc21 Amb24599752 [0,1,0,1,0,0|1,0,0]=3 2738 B15R2.993 CC(=O)N[C@H]1C(C)Cc2ccccc21 Amb25036680 [0,1,0,1,0,0|1,0,0]=3 2739 B15R2.993 CC(=O)OC1C(Cl)Cc2ccccc21 Amb25128246 [0,1,0,1,0,0|0,0,0]=2 2740 B15R2.993 CC(=O)OC1c2ccccc2NC1=O Amb25370087 [0,1,0,1,0,0|1,0,1]=4 2741 B15R2.993 CC(=O)O[C@@H]1[C@H](O)Cc2ccccc21 Amb25346419 [0,1,0,1,0,0|0,0,0]=2 2742 B15R2.993 CC(=O)O[C@H]1[C@@H](N)Cc2ccccc21 Amb24512070 [0,1,0,1,0,0|0,0,0]=2 2743 B15R2.993 CC(=O)O[C@H]1[C@@H](O)Cc2ccccc21 Amb25306511 [0,1,0,1,0,0|0,0,0]=2 2744 B15R2.993 CC1Cc2ccccc2C1CC(O)=O Amb25309746 [0,1,0,1,0,0|2,0,0]=4 2745 B15R2.993 CS(=O)NC1C(O)Cc2ccccc21 Amb24691508 [0,1,0,1,0,0|2,0,0]=4 2746 B15R2.993 NC(=O)NC1C(O)Cc2ccccc21 Amb19050476 [0,1,0,1,0,0|2,0,0]=4 2747 B15R2.993 OC(=O)CC1C(O)Cc2ccccc21 Amb18651105 [0,1,0,1,0,0|2,0,0]=4 2748 B15R2.993 OC(=O)C[C@@H]1[C@@H](O)Cc2ccccc21 Amb25302215 [0,1,0,1,0,0|2,0,0]=4 2749 B15R2.1244 OC(=O)C1CC(Cc2ccccc2)C1 Amb23537993 [0,1,0,1,0,0|2,0,0]=4 2750 B15R2.4086 CC1(CO[C@H](O)C1)Cc2ccccc2 Amb25077936 [0,1,0,1,0,0|0,0,2]=4 2751 B15R2.4086 CC1(Cc2cccc[n]2)CCC(=O)C1 Amb25857604 [0,1,0,1,0,0|2,0,0]=4 2752 B15R2.4086 CC1(Cc2ccccc2)CCC(=O)C1 Amb24420339 [0,1,0,1,0,0|1,0,0]=3 2753 B15R2.4086 CC=1CC(N)(Cc2ccccc2)CC1 Amb25765731 [0,1,0,1,0,0|2,0,0]=4 2754 B15R2.4086 OC1(Cc2ccccc2)CCC(=O)N1 Amb24410101 [0,1,0,1,0,0|2,0,0]=4 2755 B15R2.7532 CC1(C)NC(CO1)Cc2ccccc2 Amb18563401 [0,1,0,1,0,0|1,0,1]=4 2756 B15R2.7532 CC1(C)N[C@@H](CO1)Cc2ccccc2 Amb25818447 [0,1,0,1,0,0|1,0,1]=4 2757 B15R2.16103 CC1(Cc2ccccc2)CC1C(O)=O Amb19001799 [0,1,0,1,0,0|2,0,0]=4 2758 B15R2.28 CC=1CCCC(C1)c2ccc(O)cc2 Amb25815699 [0,1,0,1,0,0|2,0,0]=4 2759 B15R2.28 Cc1ccc([n]c1)[C@@H]2CCOC(=O)N2 Amb25800898 [0,1,0,1,0,0|2,0,0]=4 2760 B15R2.28 Cc1ccc(c[n]1)C2CC(=O)CCC2 Amb25793813 [0,1,0,1,0,0|2,0,0]=4 2761 B15R2.28 Cc1ccc(cc1)C2CC(=O)CCC2 Amb18564535 [0,1,0,1,0,0|1,0,0]=3 2762 B15R2.28 Cc1ccc(cc1)C2CC(=O)CCO2 Amb24717466 [0,1,0,1,0,0|2,0,0]=4 2763 B15R2.28 Cc1ccc(cc1)C2CC(=O)NCC2 Amb24754501 [0,1,0,1,0,0|1,0,0]=3 2764 B15R2.28 Cc1ccc(cc1)C2CCCC(=O)N2 Amb25806015 [0,1,0,1,0,0|2,0,0]=4 2765 B15R2.28 Cc1ccc(cc1)C2CCOC(=O)N2 Amb24688179 [0,1,0,1,0,0|1,0,0]=3 2766 B15R2.28 Cc1ccc(cc1)[C@@H]2CCCC(=O)N2 Amb24366691 [0,1,0,1,0,0|2,0,0]=4 2767 B15R2.28 Cc1ccc(cc1)[C@@H]2CCCC(=O)O2 Amb25839829 [0,1,0,1,0,0|2,0,0]=4 2768 B15R2.28 Cc1ccc(cc1)[C@H]2CC(=O)CCC2 Amb24647666 [0,1,0,1,0,0|1,0,0]=3 2769 B15R2.28 Cc1ccc(cc1)[C@H]2CC(=O)OCC2 Amb25132107 [0,1,0,1,0,0|0,0,0]=2 2770 B15R2.28 Nc1ccc([n]c1)C2CC(=O)CCC2 Amb25121914 [0,1,0,1,0,0|2,0,0]=4 2771 B15R2.28 Nc1ccc([n]c1)C2CC(=O)NCC2 Amb24698968 [0,1,0,1,0,0|2,0,0]=4 2772 B15R2.28 Nc1ccc(cc1)C2CC(=O)NCC2 Amb25129463 [0,1,0,1,0,0|1,0,0]=3 2773 B15R2.28 Nc1ccc(cc1)C2CCNC(=O)O2 Amb24756764 [0,1,0,1,0,0|2,0,0]=4 2774 B15R2.28 O=C1CC(CCC1)c2ccc(Cl)cc2 Amb18568612 [0,1,0,1,0,0|1,0,0]=3 2775 B15R2.28 O=C1CC(CCC1)c2ccc(F)cc2 Amb18565095 [0,1,0,1,0,0|1,0,0]=3 2776 B15R2.28 O=C1CC(CCO1)c2ccc(Br)cc2 Amb24381542 [0,1,0,1,0,0|0,0,0]=2 2777 B15R2.28 O=C1CC(CCO1)c2ccc(Cl)cc2 Amb25095898 [0,1,0,1,0,0|0,0,0]=2 2778 B15R2.28 O=C1CCCC(N1)c2ccc(Cl)cc2 Amb25668299 [0,1,0,1,0,0|2,0,0]=4 2779 B15R2.28 O=C1CCCC(O1)c2ccc(Cl)cc2 Amb24695308 [0,1,0,1,0,0|2,0,0]=4 2780 B15R2.28 O=C1CCCC(O1)c2ccc(F)cc2 Amb25756952 [0,1,0,1,0,0|2,0,0]=4 2781 B15R2.28 O=C1CCC[C@@H](O1)c2ccc(Br)cc2 Amb24427760 [0,1,0,1,0,0|2,0,0]=4 2782 B15R2.28 O=C1CCC[C@@H](O1)c2ccc(Cl)cc2 Amb25270711 [0,1,0,1,0,0|2,0,0]=4 2783 B15R2.28 O=C1CCC[C@@H](O1)c2ccc(F)cc2 Amb25335315 [0,1,0,1,0,0|2,0,0]=4 2784 B15R2.28 O=C1CCC[C@H](O1)c2ccc(Br)cc2 Amb25181712 [0,1,0,1,0,0|2,0,0]=4 2785 B15R2.28 O=C1CCNC(C1)c2ccc(cc2)Br Amb17263740 [0,1,0,1,0,0|2,0,0]=4 2786 B15R2.28 O=C1CCNC(C1)c2ccc(cc2)C Amb17234678 [0,1,0,1,0,0|2,0,0]=4 2787 B15R2.28 O=C1CCNC(C1)c2ccc(cc2)Cl Amb17240445 [0,1,0,1,0,0|2,0,0]=4 2788 B15R2.28 O=C1CCNC(C1)c2ccc(cc2)F Amb17235574 [0,1,0,1,0,0|2,0,0]=4 2789 B15R2.28 O=C1CN(CCC1)c2ccc(I)cc2 Amb25250050 [0,1,0,1,0,0|2,0,0]=4 2790 B15R2.28 O=C1CN(CCN1)c2ccc(F)cc2 Amb24659897 [0,1,0,1,0,0|2,0,0]=4 2791 B15R2.28 O=C1CNCC(C1)c2ccc(F)cc2 Amb25805883 [0,1,0,1,0,0|2,0,0]=4 2792 B15R2.28 O=C1C[C@H](CCO1)c2ccc(F)cc2 Amb25829475 [0,1,0,1,0,0|0,0,0]=2 2793 B15R2.28 O=C1NC(CCO1)c2ccc(Br)[n]c2 Amb25296092 [0,1,0,1,0,0|2,0,0]=4 2794 B15R2.28 O=C1NC(CCO1)c2ccc(Br)c[n]2 Amb24457059 [0,1,0,1,0,0|2,0,0]=4 2795 B15R2.28 O=C1NC(CCO1)c2ccc(Cl)[n]c2 Amb24688140 [0,1,0,1,0,0|2,0,0]=4 2796 B15R2.28 O=C1NC(CCO1)c2ccc(Cl)cc2 Amb25831755 [0,1,0,1,0,0|1,0,0]=3 2797 B15R2.28 O=C1NCCC(O1)c2ccc(Br)cc2 Amb24664816 [0,1,0,1,0,0|2,0,0]=4 2798 B15R2.28 O=C1NCCC(O1)c2ccc(Cl)cc2 Amb24381421 [0,1,0,1,0,0|2,0,0]=4 2799 B15R2.28 O=C1NCCN(C1)c2ccc(cc2)N Amb1117648 [0,1,0,1,0,0|2,0,0]=4 2800 B15R2.28 O=C1N[C@@H](CCO1)c2ccc(Br)c[n]2 Amb25776841 [0,1,0,1,0,0|2,0,0]=4 2801 B15R2.28 O=C1N[C@@H](CCO1)c2ccc(Cl)[n]c2 Amb25244142 [0,1,0,1,0,0|2,0,0]=4 2802 B15R2.28 O=C1N[C@@H](CCO1)c2ccc(F)cc2 Amb25711271 [0,1,0,1,0,0|1,0,0]=3 2803 B15R2.28 O=C1N[C@H](CCO1)c2ccc(Br)[n]c2 Amb24445253 [0,1,0,1,0,0|2,0,0]=4 2804 B15R2.28 O=C1N[C@H](CCO1)c2ccc(Br)cc2 Amb25776904 [0,1,0,1,0,0|1,0,0]=3 2805 B15R2.28 O=C1N[C@H](CCO1)c2ccc(Cl)cc2 Amb25121764 [0,1,0,1,0,0|1,0,0]=3 2806 B15R2.28 O=C1N[C@H](CCO1)c2ccc(F)cc2 Amb25715275 [0,1,0,1,0,0|1,0,0]=3 2807 B15R2.28 OC1CC(CCO1)c2ccc(F)cc2 Amb25058493 [0,1,0,1,0,0|0,0,2]=4 2808 B15R2.28 Oc1ccc([n]c1)C2CC(=O)CCC2 Amb24438464 [0,1,0,1,0,0|2,0,0]=4 2809 B15R2.28 Oc1ccc(c[n]1)C2CC(=O)CCC2 Amb25842455 [0,1,0,1,0,0|2,0,0]=4 2810 B15R2.28 Oc1ccc(cc1)C2CC(=O)CCN2 Amb18818529 [0,1,0,1,0,0|2,0,0]=4 2811 B15R2.28 Oc1ccc(cc1)C2CC=CC(=O)C2 Amb24662282 [0,1,0,1,0,0|1,0,1]=4 2812 B15R2.28 Oc1ccc(cc1)[C@@H]2CCOC(=O)N2 Amb25353768 [0,1,0,1,0,0|1,0,0]=3 2813 B15R2.98 Cc1ccc(CC2CC(=O)CC2)cc1 Amb24683397 [0,1,0,1,0,0|1,0,0]=3 2814 B15R2.98 Cc1ccc(CC2CCC(=O)N2)cc1 Amb24468945 [0,1,0,1,0,0|2,0,0]=4 2815 B15R2.98 Cc1ccc(CC2CNC(=O)C2)cc1 Amb25738214 [0,1,0,1,0,0|1,0,0]=3 2816 B15R2.98 Cc1ccc(CC2CNC(=O)O2)cc1 Amb25035879 [0,1,0,1,0,0|2,0,0]=4 2817 B15R2.98 Cc1ccc(C[C@H]2COC(N)=N2)cc1 Amb24404825 [0,1,0,1,0,0|2,0,0]=4 2818 B15R2.98 Cc1ccc(cc1)SC2CC(=O)CC2 Amb25234536 [0,1,0,1,0,0|2,0,0]=4 2819 B15R2.98 NC1=NC(Cc2ccc(Cl)cc2)CO1 Amb24360401 [0,1,0,1,0,0|2,0,0]=4 2820 B15R2.98 Nc1ccc(CC2CCC(=O)N2)cc1 Amb18819188 [0,1,0,1,0,0|2,0,0]=4 2821 B15R2.98 Nc1ccc(CC2CCC(=O)O2)cc1 Amb24679101 [0,1,0,1,0,0|2,0,0]=4 2822 B15R2.98 Nc1ccc(CC2CNC(=O)O2)cc1 Amb18559562 [0,1,0,1,0,0|2,0,0]=4 2823 B15R2.98 Nc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb19130394 [0,1,0,1,0,0|1,0,0]=3 2824 B15R2.98 O=C1C=C(CO1)Cc2ccc(Br)cc2 Amb24695815 [0,1,0,1,0,0|0,0,2]=4 2825 B15R2.98 O=C1CC(CC1)Nc2ccc(Cl)cc2 Amb24404895 [0,1,0,1,0,0|2,0,0]=4 2826 B15R2.98 O=C1CC(CC1)Oc2ccc(Cl)cc2 Amb25728344 [0,1,0,1,0,0|2,0,0]=4 2827 B15R2.98 O=C1CC(CC1)Oc2ccc(I)cc2 Amb25664430 [0,1,0,1,0,0|2,0,0]=4 2828 B15R2.98 O=C1CC(CC1)Sc2ccc(Br)cc2 Amb24703553 [0,1,0,1,0,0|2,0,0]=4 2829 B15R2.98 O=C1CC(CC1)Sc2ccc(Cl)cc2 Amb25818795 [0,1,0,1,0,0|2,0,0]=4 2830 B15R2.98 O=C1CC(CN1)CN2C=CC(=O)C=C2 Amb24717232 [0,1,0,1,0,0|2,0,0]=4 2831 B15R2.98 O=C1CC(Cc2ccc(Br)cc2)CC1 Amb25692749 [0,1,0,1,0,0|1,0,0]=3 2832 B15R2.98 O=C1CC(Cc2ccc(Cl)cc2)CC1 Amb24447923 [0,1,0,1,0,0|1,0,0]=3 2833 B15R2.98 O=C1CC(Cc2ccc(Cl)cc2)CN1 Amb24598310 [0,1,0,1,0,0|1,0,0]=3 2834 B15R2.98 O=C1CC(Cc2ccc(F)cc2)CC1 Amb25818479 [0,1,0,1,0,0|1,0,0]=3 2835 B15R2.98 O=C1CCC(Cc2ccc(Cl)cc2)N1 Amb25246668 [0,1,0,1,0,0|2,0,0]=4 2836 B15R2.98 O=C1CCC(Cc2ccc(F)cc2)N1 Amb25165817 [0,1,0,1,0,0|2,0,0]=4 2837 B15R2.98 O=C1CCC(Cc2ccc(I)cc2)N1 Amb24648527 [0,1,0,1,0,0|2,0,0]=4 2838 B15R2.98 O=C1CC[C@@H](Cc2ccc(Cl)cc2)N1 Amb25840376 [0,1,0,1,0,0|2,0,0]=4 2839 B15R2.98 O=C1CN(Cc2ccc(I)cc2)CC1 Amb24540206 [0,1,0,1,0,0|2,0,0]=4 2840 B15R2.98 Oc1ccc(CC2CCC(=O)O2)cc1 Amb20668221 [0,1,0,1,0,0|2,0,0]=4 2841 B15R2.98 Oc1ccc(cc1)SC2CC(=O)CC2 Amb25807541 [0,1,0,1,0,0|2,0,0]=4 2842 B15R2.98 Oc1ccc(cc1)S[C@H]2CC(=O)CC2 Amb25093657 [0,1,0,1,0,0|2,0,0]=4 2843 B15R2.558 Cc1ccc2CCCCC(=O)Nc2c1 Amb25737090 [0,1,0,1,0,0|2,0,0]=4 2844 B15R2.558 O=C1CCCCc2ccc(Cl)cc2N1 Amb24453321 [0,1,0,1,0,0|2,0,0]=4 2845 B15R2.558 Oc1cc2CC(=O)NCCCc2cc1 Amb24336756 [0,1,0,1,0,0|1,0,0]=3 2846 B15R2.1553 O=C1CC(C1)OCc2ccc(Br)cc2 Amb24347256 [0,1,0,1,0,0|2,0,0]=4 2847 B15R2.1553 O=C1CC(C1)OCc2ccc(Cl)cc2 Amb24688527 [0,1,0,1,0,0|2,0,0]=4 2848 B15R2.6971 OC(=O)C1CCC1c2ccc(Cl)cc2 Amb25181565 [0,1,0,1,0,0|2,0,0]=4 2849 B15R2.6974 CC(=O)NC1CC1c2ccc(Cl)cc2 Amb24361199 [0,1,0,1,0,0|1,0,0]=3 2850 B15R2.6974 OC(=O)CC1CC1c2ccc(cc2)Br Amb17264231 [0,1,0,1,0,0|2,0,0]=4 2851 B15R2.6974 OC(=O)CC1CC1c2ccc(cc2)C Amb17234891 [0,1,0,1,0,0|2,0,0]=4 2852 B15R2.6974 OC(=O)CC1CC1c2ccc(cc2)Cl Amb17240727 [0,1,0,1,0,0|2,0,0]=4 2853 B15R2.6974 OC(=O)CC1CC1c2ccc(cc2)F Amb17235878 [0,1,0,1,0,0|2,0,0]=4 2854 B15R2.7268 CC(=O)N1CCCc2ccc(O)cc12 Amb22750997 [0,1,0,1,0,0|1,0,0]=3 2855 B15R2.7268 CC(=O)N1CCNc2ccc(O)cc12 Amb18817393 [0,1,0,1,0,0|2,0,0]=4 2856 B15R2.7268 CC(=O)N1CCOc2ccc(Br)cc12 Amb25857479 [0,1,0,1,0,0|2,0,0]=4 2857 B15R2.7268 CC(=O)N1CCOc2ccc(N)cc12 Amb18565085 [0,1,0,1,0,0|2,0,0]=4 2858 B15R2.7268 CC(=O)N1CCSc2c1cc(N)cc2 Amb10609319 [0,1,0,1,0,0|2,0,0]=4 2859 B15R2.7268 Cc1ccc2CCCC(C(N)=O)c2c1 Amb22488166 [0,1,0,1,0,0|2,0,0]=4 2860 B15R2.7268 Cc1ccc2CCCN(C(=O)Cl)c2c1 Amb24060061 [0,1,0,1,0,0|2,0,0]=4 2861 B15R2.7268 Cc1ccc2c(c1)N(CCO2)C(=O)C Amb17016807 [0,1,0,1,0,0|2,0,0]=4 2862 B15R2.7268 NC(=O)C1CCCc2ccc(Cl)cc21 Amb22487889 [0,1,0,1,0,0|2,0,0]=4 2863 B15R2.7268 Nc1ccc2CCCN(c2c1)C(N)=O Amb18278133 [0,1,0,1,0,0|2,0,0]=4 2864 B15R2.7268 Nc1ccc2c(c1)N(CCC2)C(=O)C Amb10603340 [0,1,0,1,0,0|1,0,0]=3 2865 B15R2.7268 OC(=O)C1CCCc2c1cc(Br)cc2 Amb17108439 [0,1,0,1,0,0|2,0,0]=4 2866 B15R2.7268 OC(=O)C1CCCc2c1cc(C)cc2 Amb17108429 [0,1,0,1,0,0|2,0,0]=4 2867 B15R2.7268 OC(=O)C1CCCc2c1cc(Cl)cc2 Amb17108436 [0,1,0,1,0,0|2,0,0]=4 2868 B15R2.7268 OC(=O)C1CCCc2c1cc(F)cc2 Amb17108435 [0,1,0,1,0,0|2,0,0]=4 2869 B15R2.7268 Oc1ccc2CCCC(c2c1)C(O)=O Amb22494122 [0,1,0,1,0,0|2,0,0]=4 2870 B15R2.9410 CC(=O)CC1COc2ccc(O)cc21 Amb24647867 [0,1,0,1,0,0|2,0,0]=4 2871 B15R2.9410 CC(=O)NC1CCc2ccc(F)cc21 Amb25698356 [0,1,0,1,0,0|1,0,0]=3 2872 B15R2.9410 CC(=O)N[C@@H]1CCc2ccc(F)cc21 Amb25378976 [0,1,0,1,0,0|1,0,0]=3 2873 B15R2.9410 CC(=O)OC1CCc2ccc(N)cc21 Amb25074553 [0,1,0,1,0,0|0,0,0]=2 2874 B15R2.9410 CC(=O)O[C@H]1CCc2ccc(Cl)[n]c21 Amb25097397 [0,1,0,1,0,0|1,0,0]=3 2875 B15R2.9410 Cc1ccc2CCC(OC(C)=O)c2[n]1 Amb24104711 [0,1,0,1,0,0|1,0,0]=3 2876 B15R2.9410 Cc1ccc2CC\C(=C\C(C)=O)\c2c1 Amb25773612 [0,1,0,1,0,0|1,0,1]=4 2877 B15R2.9410 NC(=O)CC1CCc2c1cc(C)cc2 Amb17234741 [0,1,0,1,0,0|2,0,0]=4 2878 B15R2.9410 NC(=O)CC1CCc2c1cc(Cl)cc2 Amb17240476 [0,1,0,1,0,0|2,0,0]=4 2879 B15R2.9410 NC(=O)CC1CCc2c1cc(F)cc2 Amb17235597 [0,1,0,1,0,0|2,0,0]=4 2880 B15R2.9410 OC(=O)CC1CCc2c1cc(C)cc2 Amb17234919 [0,1,0,1,0,0|2,0,0]=4 2881 B15R2.9410 OC(=O)CC1CCc2c1cc(Cl)cc2 Amb17240752 [0,1,0,1,0,0|2,0,0]=4 2882 B15R2.9410 OC(=O)CC1CCc2c1cc(F)cc2 Amb17235892 [0,1,0,1,0,0|2,0,0]=4 2883 B15R2.9410 OC(=O)CC1CCc2ccc(Br)cc21 Amb18667670 [0,1,0,1,0,0|2,0,0]=4 2884 B15R2.13949 CC(=O)NCC1Cc2ccc(O)cc21 Amb25165846 [0,1,0,1,0,0|1,0,0]=3 2885 B15R2.19017 Cc1ccc(CC2CC2C(O)=O)cc1 Amb23453719 [0,1,0,1,0,0|2,0,0]=4 2886 B15R2.19017 OC(=O)C1CC1Cc2ccc(Br)cc2 Amb23453729 [0,1,0,1,0,0|2,0,0]=4 2887 B15R2.19017 OC(=O)C1CC1Cc2ccc(Cl)cc2 Amb23453728 [0,1,0,1,0,0|2,0,0]=4 2888 B15R2.19017 OC(=O)C1CC1Cc2ccc(F)cc2 Amb23453727 [0,1,0,1,0,0|2,0,0]=4 2889 B15R2.4 BrCC(=O)NC1CCc2c1cccc2 Amb17329466 [0,1,0,1,0,0|1,0,0]=3 2890 B15R2.4 CCC(=O)CN1CCc2ccccc12 Amb19077872 [0,1,0,1,0,0|2,0,0]=4 2891 B15R2.4 CCC(=O)NC1COc2ccccc21 Amb24413251 [0,1,0,1,0,0|2,0,0]=4 2892 B15R2.4 CNC(=N)NC1CCc2ccccc21 Amb19072447 [0,1,0,1,0,0|2,0,0]=4 2893 B15R2.4 CNC(=O)CC1CCc2c1cccc2 Amb17234743 [0,1,0,1,0,0|1,0,0]=3 2894 B15R2.4 CNC(=O)CC1CNc2ccccc21 Amb25036755 [0,1,0,1,0,0|2,0,0]=4 2895 B15R2.4 CNC(=O)CN1CCc2ccccc12 Amb19967887 [0,1,0,1,0,0|2,0,0]=4 2896 B15R2.4 CNC(=O)NC1CCc2ccccc21 Amb24181769 [0,1,0,1,0,0|1,0,0]=3 2897 B15R2.4 CNC(=O)NC1COc2ccccc21 Amb24476348 [0,1,0,1,0,0|2,0,0]=4 2898 B15R2.4 CNC(=O)OC1CCc2ccccc21 Amb25049335 [0,1,0,1,0,0|0,0,0]=2 2899 B15R2.4 COC(=O)CC1CNc2c1cccc2 Amb17592979 [0,1,0,1,0,0|2,0,0]=4 2900 B15R2.4 COC(=O)CC1NCc2ccccc21 Amb22497860 [0,1,0,1,0,0|2,0,0]=4 2901 B15R2.4 COC(=O)N[C@@H]1CCc2ccccc21 Amb24581267 [0,1,0,1,0,0|1,0,0]=3 2902 B15R2.4 COC(=O)N[C@H]1CCc2ccccc21 Amb24347058 [0,1,0,1,0,0|1,0,0]=3 2903 B15R2.4 C\C(\C=O)=C/C1CCc2ccccc21 Amb25116496 [0,1,0,1,0,0|1,0,0]=3 2904 B15R2.4 N=C(CCl)NC1CCc2ccccc21 Amb25288252 [0,1,0,1,0,0|2,0,0]=4 2905 B15R2.4 N=C(CS)NC1CCc2ccccc21 Amb25110036 [0,1,0,1,0,0|2,0,0]=4 2906 B15R2.4 NCC(=O)NC1CSc2ccccc21 Amb25042569 [0,1,0,1,0,0|2,0,0]=4 2907 B15R2.4 O=C(CBr)NC1COc2ccccc21 Amb25206394 [0,1,0,1,0,0|2,0,0]=4 2908 B15R2.4 O=C(CCl)O[C@@H]1CCc2ccccc21 Amb25181651 [0,1,0,1,0,0|0,0,0]=2 2909 B15R2.15 C=CC1=N[C@@H](Cc2ccccc2)CO1 Amb22747341 [0,1,0,1,0,0|1,0,1]=4 2910 B15R2.15 CNC1=NC(Cc2ccccc2)CS1 Amb24351509 [0,1,0,1,0,0|1,1,0]=4 2911 B15R2.15 CNC1=N[C@@H](Cc2ccccc2)CS1 Amb24716819 [0,1,0,1,0,0|1,1,0]=4 2912 B15R2.15 COC1=NC(CO1)Cc2ccccc2 Amb22549387 [0,1,0,1,0,0|1,0,0]=3 2913 B15R2.15 ClCC1=NC(Cc2ccccc2)CO1 Amb25690850 [0,1,0,1,0,0|1,0,0]=3 2914 B15R2.15 ClCC1=N[C@H](Cc2ccccc2)CO1 Amb25758763 [0,1,0,1,0,0|1,0,0]=3 2915 B15R2.15 O=CC1CC(Cc2ccccc2)CO1 Amb25717694 [0,1,0,1,0,0|0,0,1]=3 2916 B15R2.15 O=CC=1CN(CC1)Cc2ccccc2 Amb24378457 [0,1,0,1,0,0|2,0,0]=4 2917 B15R2.17 CNC1CC(CCO1)c2ccccc2 Amb25082076 [0,1,0,1,0,0|1,0,1]=4 2918 B15R2.17 CN[C@@H]1C[C@@H](CCO1)c2ccccc2 Amb24711487 [0,1,0,1,0,0|1,0,1]=4 2919 B15R2.17 O=CC=1CCCC(C1)c2ccccc2 Amb18649407 [0,1,0,1,0,0|1,0,1]=4 2920 B15R2.17 OC[C@@H]1C[C@H](CCO1)c2ccccc2 Amb24619151 [0,1,0,1,0,0|0,0,2]=4 2921 B15R2.32 CC1C(=O)CCNC1c2ccccc2 Amb1778613 [0,1,0,1,0,0|2,0,0]=4 2922 B15R2.32 CN1[C@@H](CNCC1=O)c2ccccc2 Amb25183380 [0,1,0,1,0,0|2,0,0]=4 2923 B15R2.32 CN1[C@H](CNCC1=O)c2ccccc2 Amb25756622 [0,1,0,1,0,0|2,0,0]=4 2924 B15R2.32 O=C1C(=O)OCCN1c2ccccc2 Amb10064379 [0,1,0,1,0,0|1,0,1]=4 2925 B15R2.32 OC1C(CCCC1=O)c2ccccc2 Amb25167265 [0,1,0,1,0,0|1,0,0]=3 2926 B15R2.32 OC1C(OCCC1=O)c2ccccc2 Amb24705809 [0,1,0,1,0,0|2,0,0]=4 2927 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,1,0,1,0,0|2,0,0]=4 2928 B15R2.597 O[C@@H]1[C@H](COc2ccccc2)NC1=O Amb24629823 [0,1,0,1,0,0|2,0,0]=4 2929 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 Amb22504624 [0,1,0,1,0,0|2,0,0]=4 2930 B15R2.1600 COC(=O)C1CCC1c2ccccc2 Amb23453479 [0,1,0,1,0,0|1,0,0]=3 2931 B15R2.1600 COC(=O)C1CCN1c2ccccc2 Amb24368171 [0,1,0,1,0,0|2,0,0]=4 2932 B15R2.1600 NCC(=O)N1CCC1c2ccccc2 Amb25316933 [0,1,0,1,0,0|1,0,0]=3 2933 B15R2.1621 C=CC(=O)NC1CC1c2ccccc2 Amb19076487 [0,1,0,1,0,0|1,0,1]=4 2934 B15R2.1621 CCC(=O)NC1CC1c2ccccc2 Amb25141389 [0,1,0,1,0,0|1,0,0]=3 2935 B15R2.1621 CNC(=N)NC1CC1c2ccccc2 Amb19072436 [0,1,0,1,0,0|2,0,0]=4 2936 B15R2.1621 CNC(=S)NC1CC1c2ccccc2 Amb12086764 [0,1,0,1,0,0|1,1,0]=4 2937 B15R2.1621 C\C(=N\C1CC1c2ccccc2)\OC Amb22356821 [0,1,0,1,0,0|1,0,1]=4 2938 B15R2.1621 NCC(=O)NC1CC1c2ccccc2 Amb18983172 [0,1,0,1,0,0|1,0,0]=3 2939 B15R2.1621 NNC(=O)NC1CC1c2ccccc2 Amb19078521 [0,1,0,1,0,0|2,0,0]=4 2940 B15R2.1621 O=C(CBr)NC1CC1c2ccccc2 Amb24674725 [0,1,0,1,0,0|1,0,0]=3 2941 B15R2.1621 O=C(CCl)NC1CC1c2ccccc2 Amb24335576 [0,1,0,1,0,0|1,0,0]=3 2942 B15R2.1621 ONC(=O)NC1CC1c2ccccc2 Amb24453811 [0,1,0,1,0,0|2,0,0]=4 2943 B15R2.4083 CC1C(CCC1=O)Cc2cc[n]cc2 Amb24433208 [0,1,0,1,0,0|2,0,0]=4 2944 B15R2.4083 CC1C(CCC1=O)Cc2ccccc2 Amb24714592 [0,1,0,1,0,0|1,0,0]=3 2945 B15R2.4083 CC1N(CCC1=O)Cc2ccccc2 Amb17609111 [0,1,0,1,0,0|2,0,0]=4 2946 B15R2.4083 CN1C(Cc2ccccc2)CN=C1N Amb25679239 [0,1,0,1,0,0|2,0,0]=4 2947 B15R2.4083 CN1C(Cc2ccccc2)CNC1=O Amb18061674 [0,1,0,1,0,0|1,0,0]=3 2948 B15R2.4083 CN1C(Cc2ccccc2)COC1=O Amb18559293 [0,1,0,1,0,0|0,0,0]=2 2949 B15R2.4083 CN1[C@H](Cc2ccccc2)NCC1=O Amb25101554 [0,1,0,1,0,0|2,0,0]=4 2950 B15R2.4083 O=C1OC\C(=N/c2ccccc2)\C1Cl Amb25678608 [0,1,0,1,0,0|1,0,1]=4 2951 B15R2.4083 OC1C(COC1=O)Cc2ccccc2 Amb25266444 [0,1,0,1,0,0|0,0,0]=2 2952 B15R2.4083 OC1C(COC1O)Cc2ccccc2 Amb24500695 [0,1,0,1,0,0|0,0,2]=4 2953 B15R2.4083 O[C@@H]1[C@@H](CO[C@H]1O)Cc2ccccc2 Amb25256595 [0,1,0,1,0,0|0,0,2]=4 2954 B15R2.4106 CC1(CCCC1c2ccccc2)C=O Amb18650004 [0,1,0,1,0,0|1,0,1]=4 2955 B15R2.26594 CC1(CN)OCCCc2ccccc12 Amb24629221 [0,1,0,1,0,0|1,0,1]=4 2956 B15R2.27836 C1NCC1OCCCc2ccccc2 Amb19073483 [0,1,0,1,0,0|1,0,1]=4 2957 B15R2.27836 C1NCC1OCCCc2ccccc2 Amb20623912 [0,1,0,1,0,0|1,0,1]=4 2958 B15R2.79185 C=CC(=O)NCC1Cc2ccccc21 Amb19059119 [0,1,0,1,0,0|1,0,1]=4 2959 B15R2.79185 CCC(=N)NCC1Cc2ccccc21 Amb25701261 [0,1,0,1,0,0|2,0,0]=4 2960 B15R2.79185 CCC(=O)NCC1Cc2ccccc21 Amb25725840 [0,1,0,1,0,0|1,0,0]=3 2961 B15R2.79185 CNC(=N)NCC1Cc2ccccc21 Amb19072433 [0,1,0,1,0,0|2,0,0]=4 2962 B15R2.79185 CNC(=O)CNC1Cc2ccccc21 Amb24403432 [0,1,0,1,0,0|2,0,0]=4 2963 B15R2.79185 CNC(=S)NCC1Cc2ccccc21 Amb24733026 [0,1,0,1,0,0|1,1,0]=4 2964 B15R2.79185 COC(=O)C#CC1Cc2ccccc21 Amb25775531 [0,1,0,1,0,0|1,0,1]=4 2965 B15R2.79185 COC(=O)NCC1Cc2ccccc21 Amb25115800 [0,1,0,1,0,0|1,0,0]=3 2966 B15R2.79185 NCC(=O)NCC1Cc2ccccc21 Amb18968593 [0,1,0,1,0,0|1,0,0]=3 2967 B15R2.79185 NNC(=O)NCC1Cc2ccccc21 Amb25291222 [0,1,0,1,0,0|2,0,0]=4 2968 B15R2.79185 O=C(CS)NCC1Cc2ccccc21 Amb25700281 [0,1,0,1,0,0|1,0,0]=3 2969 B15R2.79765 BrCC(=O)N1CCCc2c1cccc2 Amb17325849 [0,1,0,1,0,0|1,0,0]=3 2970 B15R2.79765 CCC(=O)C1CCCc2ccc[n]c21 Amb25315921 [0,1,0,1,0,0|2,0,0]=4 2971 B15R2.79765 CCC(=O)C1CCCc2ccccc21 Amb19071757 [0,1,0,1,0,0|1,0,0]=3 2972 B15R2.79765 CCC(=O)C1CCNc2ccccc21 Amb24411202 [0,1,0,1,0,0|2,0,0]=4 2973 B15R2.79765 CCC(=O)C1CNCc2ccccc21 Amb25302608 [0,1,0,1,0,0|2,0,0]=4 2974 B15R2.79765 CCC(=O)C1NCCc2ccccc21 Amb24746407 [0,1,0,1,0,0|2,0,0]=4 2975 B15R2.79765 CCC(=O)C1OCCc2ccccc21 Amb25214209 [0,1,0,1,0,0|2,0,0]=4 2976 B15R2.79765 CCC(=O)N1CCOc2ccccc12 Amb18400325 [0,1,0,1,0,0|2,0,0]=4 2977 B15R2.79765 CCC(=O)N1CCSc2ccccc12 Amb24105095 [0,1,0,1,0,0|2,0,0]=4 2978 B15R2.79765 CNC(=N)N1CCCc2ccccc12 Amb19072431 [0,1,0,1,0,0|2,0,0]=4 2979 B15R2.79765 CNC(=O)C1CCNc2ccccc21 Amb23586317 [0,1,0,1,0,0|2,0,0]=4 2980 B15R2.79765 CNC(=O)C1CCOc2ccccc21 Amb24360134 [0,1,0,1,0,0|2,0,0]=4 2981 B15R2.79765 CNC(=O)C1CNCc2ccccc21 Amb18356848 [0,1,0,1,0,0|2,0,0]=4 2982 B15R2.79765 CNC(=O)C1NCCc2ccccc21 Amb18946032 [0,1,0,1,0,0|2,0,0]=4 2983 B15R2.79765 CNC(=O)C1SCCc2ccccc21 Amb22159780 [0,1,0,1,0,0|2,0,0]=4 2984 B15R2.79765 CNC(=O)N1CCCc2ccccc12 Amb22469712 [0,1,0,1,0,0|1,0,0]=3 2985 B15R2.79765 CNC(=O)N1CCSc2ccccc12 Amb24392178 [0,1,0,1,0,0|2,0,0]=4 2986 B15R2.79765 COC(=O)C1CCNc2c1cccc2 Amb10603355 [0,1,0,1,0,0|2,0,0]=4 2987 B15R2.79765 COC(=O)C1CNCc2c1cccc2 Amb10067661 [0,1,0,1,0,0|2,0,0]=4 2988 B15R2.79765 COC(=O)C1CNCc2c1cccc2 Amb15691942 [0,1,0,1,0,0|2,0,0]=4 2989 B15R2.79765 COC(=O)C1COCc2ccccc21 Amb24726066 [0,1,0,1,0,0|2,0,0]=4 2990 B15R2.79765 COC(=O)C1NCCc2ccccc21 Amb18956496 [0,1,0,1,0,0|2,0,0]=4 2991 B15R2.79765 COC(=O)C1NCCc2ccccc21 Amb19375544 [0,1,0,1,0,0|2,0,0]=4 2992 B15R2.79765 COC(=O)C1OCCc2c1cccc2 Amb1102553 [0,1,0,1,0,0|2,0,0]=4 2993 B15R2.79765 COC(=O)N1CCCc2c1cccc2 Amb1077839 [0,1,0,1,0,0|1,0,0]=3 2994 B15R2.79765 COC(=O)N1CCNc2ccccc12 Amb24552230 [0,1,0,1,0,0|2,0,0]=4 2995 B15R2.79765 COC(=O)[C@H]1CCNc2ccccc21 Amb24365240 [0,1,0,1,0,0|2,0,0]=4 2996 B15R2.79765 C\C(\C=O)=C\1/CCCc2ccccc21 Amb25678543 [0,1,0,1,0,0|1,0,0]=3 2997 B15R2.79765 ClCC(=O)N1CCSc2c1cccc2 Amb1107561 [0,1,0,1,0,0|2,0,0]=4 2998 B15R2.79765 NCC(=O)C1CCCc2ccc[n]c21 Amb25679943 [0,1,0,1,0,0|2,0,0]=4 2999 B15R2.79765 NCC(=O)N1CCCc2c1cccc2 Amb10610219 [0,1,0,1,0,0|1,0,0]=3 3000 B15R2.79765 NCC(=O)N1CCNc2ccccc12 Amb25225802 [0,1,0,1,0,0|2,0,0]=4 3001 B15R2.79765 NCC(=O)N1CCOc2ccccc12 Amb18944723 [0,1,0,1,0,0|2,0,0]=4 3002 B15R2.79765 NCC(=O)N1CCSc2ccccc12 Amb18944524 [0,1,0,1,0,0|2,0,0]=4 3003 B15R2.79765 O=C(CBr)C1CCOc2ccccc21 Amb24559718 [0,1,0,1,0,0|2,0,0]=4 3004 B15R2.79765 O=C(CBr)N1CCOc2ccccc12 Amb24344916 [0,1,0,1,0,0|2,0,0]=4 3005 B15R2.79765 O=C(CCl)N1CCCc2[n]cccc12 Amb25817969 [0,1,0,1,0,0|2,0,0]=4 3006 B15R2.79765 O=C(CCl)N1COCc2ccccc12 Amb25181858 [0,1,0,1,0,0|2,0,0]=4 3007 B15R2.79765 O=C(CI)N1CCSc2ccccc12 Amb24452553 [0,1,0,1,0,0|2,0,0]=4 3008 B15R2.79765 O=C(CS)N1CCCc2ccccc12 Amb20413874 [0,1,0,1,0,0|1,0,0]=3 3009 B15R2.79765 O=C(CS)N1CCOc2ccccc12 Amb25754300 [0,1,0,1,0,0|2,0,0]=4 3010 B15R2.79765 OCC(=O)N1CCCc2c1cccc2 Amb1110643 [0,1,0,1,0,0|1,0,0]=3 3011 B15R2.79765 OCC(=O)N1CCSc2c1cccc2 Amb1110863 [0,1,0,1,0,0|2,0,0]=4 3012 B15R2.79765 ONC(=O)C1CCCc2ccccc21 Amb19073260 [0,1,0,1,0,0|2,0,0]=4 3013 B15R2.27 C=C1CC(CC(=O)O1)c2ccccc2 Amb25761267 [0,1,0,1,0,0|0,0,1]=3 3014 B15R2.27 C=C1CC(NC(=O)O1)c2ccccc2 Amb24384351 [0,1,0,1,0,0|1,0,1]=4 3015 B15R2.27 CC1=CC(CC(=O)O1)c2ccccc2 Amb21951685 [0,1,0,1,0,0|0,0,2]=4 3016 B15R2.27 CC1CC(=O)CC(C1)c2ccccc2 Amb17594891 [0,1,0,1,0,0|1,0,0]=3 3017 B15R2.27 CC1CC(=O)CC(N1)c2ccccc2 Amb18820075 [0,1,0,1,0,0|2,0,0]=4 3018 B15R2.27 CC1CC(NC(=O)O1)c2ccccc2 Amb25324486 [0,1,0,1,0,0|1,0,0]=3 3019 B15R2.27 CC=1CC(CC(=O)C1)c2ccccc2 Amb20622435 [0,1,0,1,0,0|1,0,1]=4 3020 B15R2.27 CC=1CC(CC(Cl)C1)c2ccccc2 Amb24666724 [0,1,0,1,0,0|2,0,0]=4 3021 B15R2.27 CC=1CC(CC(O)C1)c2ccccc2 Amb25105929 [0,1,0,1,0,0|2,0,0]=4 3022 B15R2.27 CC=1C[C@@H](O)C[C@@H](N1)c2ccccc2 Amb25236491 [0,1,0,1,0,0|2,0,0]=4 3023 B15R2.27 CC=1C[C@H](C[C@H](O)C1)c2ccccc2 Amb24733360 [0,1,0,1,0,0|2,0,0]=4 3024 B15R2.27 C[C@@H]1CC(=O)C[C@@H](N1)c2ccccc2 Amb25247231 [0,1,0,1,0,0|2,0,0]=4 3025 B15R2.27 C[C@@H]1C[C@H](OC(=O)N1)c2ccccc2 Amb25229570 [0,1,0,1,0,0|2,0,0]=4 3026 B15R2.27 C[C@H]1C[C@@H](CC(O)O1)c2ccccc2 Amb25332320 [0,1,0,1,0,0|0,0,2]=4 3027 B15R2.27 C[C@H]1C[C@@H](NC(=O)O1)c2ccccc2 Amb24622508 [0,1,0,1,0,0|1,0,0]=3 3028 B15R2.27 O=C1CC(CC(=O)N1)c2ccccc2 Amb10553540 [0,1,0,1,0,0|1,0,1]=4 3029 B15R2.27 O=C1CC(CC(=O)O1)c2ccccc2 Amb17401374 [0,1,0,1,0,0|0,0,1]=3 3030 B15R2.27 O=C1CC(CC(=O)O1)c2ccncc2 Amb17401479 [0,1,0,1,0,0|1,0,1]=4 3031 B15R2.27 O=C1CN(CC(=O)O1)c2ccccc2 Amb19651485 [0,1,0,1,0,0|1,0,1]=4 3032 B15R2.27 O=C1N[C@H](CC(=O)O1)c2ccccc2 Amb24499955 [0,1,0,1,0,0|1,0,1]=4 3033 B15R2.27 O=C1OC(=O)CC(C1)c2ccccn2 Amb17401477 [0,1,0,1,0,0|1,0,1]=4 3034 B15R2.27 O=C1OC(=O)CC(C1)c2cccnc2 Amb17401478 [0,1,0,1,0,0|1,0,1]=4 3035 B15R2.27 OC1CC(=O)CC(O1)c2ccccc2 Amb25813801 [0,1,0,1,0,0|2,0,0]=4 3036 B15R2.27 OC1CC(CC(O)O1)c2ccccc2 Amb25813681 [0,1,0,1,0,0|0,0,2]=4 3037 B15R2.27 OC1CC(NC(=O)C1)c2ccccc2 Amb25840996 [0,1,0,1,0,0|2,0,0]=4 3038 B15R2.27 O[C@@H]1C[C@H](NC(=O)C1)c2ccccc2 Amb24585774 [0,1,0,1,0,0|2,0,0]=4 3039 B15R2.27 O[C@@H]1C[C@H](OC(=O)C1)c2ccccc2 Amb24519688 [0,1,0,1,0,0|2,0,0]=4 3040 B15R2.27 O[C@H]1C[C@H](NC(=O)C1)c2ccccc2 Amb25271963 [0,1,0,1,0,0|2,0,0]=4 3041 B15R2.27 O[C@H]1C[C@H](OC(=O)C1)c2ccccc2 Amb25257079 [0,1,0,1,0,0|2,0,0]=4 3042 B15R2.325 CC1=CC(=O)CC1Cc2ccccc2 Amb25070652 [0,1,0,1,0,0|1,0,1]=4 3043 B15R2.325 CC1CC(=O)CN1Cc2ccccc2 Amb20668026 [0,1,0,1,0,0|2,0,0]=4 3044 B15R2.325 CC1NC(=O)CC1Cc2ccccc2 Amb24408674 [0,1,0,1,0,0|1,0,0]=3 3045 B15R2.325 CC1OC(=O)CC1Sc2ccccc2 Amb25778052 [0,1,0,1,0,0|1,0,0]=3 3046 B15R2.325 CC1OC(=O)NC1Cc2ccccc2 Amb25840945 [0,1,0,1,0,0|1,0,0]=3 3047 B15R2.325 CC1O[C@@H](Cc2ccccc2)C(O)O1 Amb25284525 [0,1,0,1,0,0|0,0,2]=4 3048 B15R2.325 C[C@@H]1CC(=O)N[C@H]1Cc2ccccc2 Amb24512786 [0,1,0,1,0,0|2,0,0]=4 3049 B15R2.325 C[C@@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179225 [0,1,0,1,0,0|2,0,0]=4 3050 B15R2.325 C[C@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb24674270 [0,1,0,1,0,0|2,0,0]=4 3051 B15R2.325 C[C@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179226 [0,1,0,1,0,0|2,0,0]=4 3052 B15R2.325 NC1CC(=O)NC1Cc2ccccc2 Amb24447076 [0,1,0,1,0,0|2,0,0]=4 3053 B15R2.325 O=C1CC(Cc2c[n]ccc2)C(=O)O1 Amb19108564 [0,1,0,1,0,0|1,0,1]=4 3054 B15R2.325 O=C1CC(Cc2cc[n]cc2)C(=O)O1 Amb19108565 [0,1,0,1,0,0|1,0,1]=4 3055 B15R2.325 O=C1CC(Cc2cccc[n]2)C(=O)O1 Amb19108563 [0,1,0,1,0,0|1,0,1]=4 3056 B15R2.325 O=C1C[C@H](Cc2ccccc2)C(=O)O1 Amb22226487 [0,1,0,1,0,0|0,0,1]=3 3057 B15R2.325 O=C1NC(=O)CC1Cc2ccccc2 Amb17470703 [0,1,0,1,0,0|1,0,1]=4 3058 B15R2.325 O=C1OC(=O)NC1Cc2ccccc2 Amb22496991 [0,1,0,1,0,0|1,0,1]=4 3059 B15R2.325 O[C@@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb25216204 [0,1,0,1,0,0|2,0,0]=4 3060 B15R2.325 O[C@@H]1CC(=O)N[C@H]1Cc2ccccc2 Amb24666708 [0,1,0,1,0,0|2,0,0]=4 3061 B15R2.325 O[C@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb24513129 [0,1,0,1,0,0|2,0,0]=4 3062 B15R2.325 O[C@H]1CC(=O)O[C@@H]1Cc2ccccc2 Amb24622523 [0,1,0,1,0,0|2,0,0]=4 3063 B15R2.1162 CC(=O)N1C(C)CNc2ccccc12 Amb24336847 [0,1,0,1,0,0|2,0,0]=4 3064 B15R2.1162 CC(=O)N1C(O)COc2ccccc12 Amb25069714 [0,1,0,1,0,0|2,0,0]=4 3065 B15R2.1162 CC(=O)N1c2ccccc2CCC1=O Amb24686965 [0,1,0,1,0,0|1,0,1]=4 3066 B15R2.1162 CC(=S)N1C(C)CCc2ccccc12 Amb24080262 [0,1,0,1,0,0|1,1,0]=4 3067 B15R2.1162 CC1CCc2c(N1C(=O)C)cccc2 Amb1908507 [0,1,0,1,0,0|1,0,0]=3 3068 B15R2.1162 CC1CCc2ccccc2N1C(=O)Cl Amb24060056 [0,1,0,1,0,0|2,0,0]=4 3069 B15R2.1162 C[C@H]1CCc2ccccc2[C@H]1C(O)=O Amb25179287 [0,1,0,1,0,0|2,0,0]=4 3070 B15R2.19829 CC(C)=CC1(O)CCc2ccccc12 Amb24661650 [0,1,0,1,0,0|2,0,0]=4 3071 B15R2.19829 NC1(CC(O)=O)CCc2ccccc12 Amb25102388 [0,1,0,1,0,0|2,0,0]=4 3072 B15R2.19829 OC(=O)CC1(C)CCc2c1cccc2 Amb17470747 [0,1,0,1,0,0|2,0,0]=4 3073 B15R2.19829 OC(=O)CC1(F)CCc2ccccc12 Amb25754546 [0,1,0,1,0,0|2,0,0]=4 3074 B15R2.133568 CC(=C)CC(N)C1Cc2ccccc21 Amb25330277 [0,1,0,1,0,0|2,0,0]=4 3075 B15R2.133568 CC(C)=CC(O)C1Cc2ccccc21 Amb24353865 [0,1,0,1,0,0|2,0,0]=4 3076 B15R2.11 CS(=O)(=O)NC1CCc2c1cccc2 Amb11260925 [0,1,0,1,0,0|2,0,0]=4 3077 B15R2.4444 CS(=O)(=O)NC1CC1c2ccccc2 Amb11554699 [0,1,0,1,0,0|2,0,0]=4 3078 B15R2.109405 CS(=O)(=O)NCC1Cc2ccccc21 Amb25821818 [0,1,0,1,0,0|2,0,0]=4 3079 B15R2.109405 CS(=O)(=O)OCC1Cc2ccccc21 Amb19149038 [0,1,0,1,0,0|1,0,0]=3 3080 B15R2.94 CC1CNC(CC1=O)c2ccccc2 Amb18650261 [0,1,0,1,0,0|2,0,0]=4 3081 B15R2.94 CN1CCC(NC1=O)c2ccccc2 Amb25804080 [0,1,0,1,0,0|2,0,0]=4 3082 B15R2.94 CN1CCN(CC1=O)c2ccccc2 Amb24064814 [0,1,0,1,0,0|2,0,0]=4 3083 B15R2.94 CN1CCP(CC1=O)c2ccccc2 Amb24708217 [0,1,0,1,0,0|2,0,0]=4 3084 B15R2.94 NC1CCC(NC1=O)c2ccccc2 Amb18650609 [0,1,0,1,0,0|2,0,0]=4 3085 B15R2.94 O=C1CC(CNC1=O)c2ccccc2 Amb25721865 [0,1,0,1,0,0|2,0,0]=4 3086 B15R2.314 CC1CC(Cc2ccccc2)NC1=O Amb24071052 [0,1,0,1,0,0|2,0,0]=4 3087 B15R2.314 CC1CN(Cc2ccccc2)CC1=O Amb20622818 [0,1,0,1,0,0|2,0,0]=4 3088 B15R2.314 CN1CC(Cc2ccccc2)OC1=O Amb18559294 [0,1,0,1,0,0|2,0,0]=4 3089 B15R2.314 CN1C[C@H](Cc2ccccc2)NC1=O Amb24717368 [0,1,0,1,0,0|2,0,0]=4 3090 B15R2.314 C[C@@H]1C[C@H](Cc2ccccc2)NC1=O Amb24555628 [0,1,0,1,0,0|2,0,0]=4 3091 B15R2.314 NC1CN(Cc2ccccc2)CC1=O Amb25253746 [0,1,0,1,0,0|2,0,0]=4 3092 B15R2.314 O[C@H]1C[C@@H](Cc2ccccc2)OC1=O Amb24675457 [0,1,0,1,0,0|2,0,0]=4 3093 B15R2.1255 C=C(C1CCc2ccccc21)C(O)=O Amb24390831 [0,1,0,1,0,0|2,0,0]=4 3094 B15R2.1255 CC(=C)C(=O)C1CCc2ccccc21 Amb24621377 [0,1,0,1,0,0|2,0,0]=4 3095 B15R2.1255 CC(=O)C(=O)N1CCc2c1cccc2 Amb17401264 [0,1,0,1,0,0|2,0,0]=4 3096 B15R2.1255 CC(C1CCc2ccccc21)C(O)=O Amb18819331 [0,1,0,1,0,0|2,0,0]=4 3097 B15R2.1255 CN(C(C)=O)N1CCc2ccccc12 Amb24637184 [0,1,0,1,0,0|2,0,0]=4 3098 B15R2.1255 NC(=O)N(O)C1CCc2ccccc21 Amb18817452 [0,1,0,1,0,0|2,0,0]=4 3099 B15R2.1255 NC(C1CCc2ccccc21)C(O)=O Amb20171617 [0,1,0,1,0,0|2,0,0]=4 3100 B15R2.1255 N[C@@H](C1CCc2ccccc21)C(O)=O Amb24087702 [0,1,0,1,0,0|2,0,0]=4 3101 B15R2.1255 OC(=O)C(=S)C1CCc2ccccc21 Amb24506573 [0,1,0,1,0,0|2,0,0]=4 3102 B15R2.4232 CC(=C)C(N)C1CC1c2ccccc2 Amb24715460 [0,1,0,1,0,0|2,0,0]=4 3103 B15R2.4232 N[C@@H]([C@H]1C[C@@H]1c2ccccc2)C(O)=O Amb24697815 [0,1,0,1,0,0|2,0,0]=4 3104 B15R2.4232 N[C@H]([C@H]1C[C@@H]1c2ccccc2)C(O)=O Amb25179116 [0,1,0,1,0,0|2,0,0]=4 3105 B15R2.8624 NC1CCCc2ccccc2NC1=O Amb24379299 [0,1,0,1,0,0|2,0,0]=4 3106 B15R2.16118 CC1(CCC1c2ccccc2)C(O)=O Amb23453484 [0,1,0,1,0,0|2,0,0]=4 3107 B15R2.16118 NC1(CCC1c2ccccc2)C(O)=O Amb23456071 [0,1,0,1,0,0|2,0,0]=4 3108 B15R2.16118 N[C@]1(CC[C@@H]1c2ccccc2)C(O)=O Amb25210869 [0,1,0,1,0,0|2,0,0]=4 3109 B15R2.16118 N[C@]1(CC[C@H]1c2ccccc2)C(O)=O Amb24512209 [0,1,0,1,0,0|2,0,0]=4 3110 B15R2.16364 CC(=C)C1(O)CCCc2ccccc12 Amb25707175 [0,1,0,1,0,0|2,0,0]=4 3111 B15R2.16364 CC(=O)C1(Cl)CCCc2ccccc12 Amb25244754 [0,1,0,1,0,0|1,0,0]=3 3112 B15R2.16364 CC(=O)C1(O)CCCc2ccccc12 Amb25251601 [0,1,0,1,0,0|1,0,0]=3 3113 B15R2.16364 C[C@@]1(CCCc2ccccc12)C(O)=O Amb25783821 [0,1,0,1,0,0|2,0,0]=4 3114 B15R2.16364 NC(=O)C1(N)CCCc2ccccc12 Amb18278308 [0,1,0,1,0,0|2,0,0]=4 3115 B15R2.16364 NC(=O)C1(O)CCCc2ccccc12 Amb19078508 [0,1,0,1,0,0|2,0,0]=4 3116 B15R2.16364 NC1(CCCc2ccccc12)C(O)=O Amb22492392 [0,1,0,1,0,0|2,0,0]=4 3117 B15R2.16364 OC(=O)C1(C)CCCc2c1cccc2 Amb10844407 [0,1,0,1,0,0|2,0,0]=4 3118 B15R2.16364 OC(=O)C1(N)CCCc2c1cccc2 Amb17622297 [0,1,0,1,0,0|2,0,0]=4 3119 B15R2.16364 OC(=O)C1(O)CCCc2ccccc12 Amb18944708 [0,1,0,1,0,0|2,0,0]=4 3120 B15R2.107888 CC(=C)C(=O)CC1Cc2ccccc21 Amb25360314 [0,1,0,1,0,0|2,0,0]=4 3121 B15R2.107888 CC(CC1Cc2ccccc21)C(O)=O Amb25181777 [0,1,0,1,0,0|2,0,0]=4 3122 B15R2.107888 NC(=O)C(N)CC1Cc2ccccc21 Amb25726204 [0,1,0,1,0,0|2,0,0]=4 3123 B15R2.107888 NC(=O)N(O)CC1Cc2ccccc21 Amb25046906 [0,1,0,1,0,0|2,0,0]=4 3124 B15R2.107888 N[C@@H](CC1Cc2ccccc21)C(O)=O Amb25141684 [0,1,0,1,0,0|2,0,0]=4 3125 B15R2.107888 N[C@H](CC1Cc2ccccc21)C(O)=O Amb25193142 [0,1,0,1,0,0|2,0,0]=4 3126 B15R2.107888 OC(=O)C(=O)CC1Cc2ccccc21 Amb25267018 [0,1,0,1,0,0|2,0,0]=4 3127 B15R3.2009 O=C1C[C@H]2Cc3ccccc3[C@H]2O1 Amb24087833 [0,0,0,2,0,0|0,0,0]=2 3128 B15R3.2009 O=C1NC2C(Cc3ccccc32)S1 Amb24409700 [0,0,0,2,0,0|2,0,0]=4 3129 B15R3.2009 O=C1NC2Cc3ccccc3C2O1 Amb24343848 [0,0,0,2,0,0|1,0,0]=3 3130 B15R3.2009 O=C1N[C@@H]2Cc3ccccc3[C@@H]2O1 Amb24600055 [0,0,0,2,0,0|1,0,0]=3 3131 B15R3.2009 O=C1N[C@@H]2[C@@H](Cc3ccccc32)O1 Amb22336679 [0,0,0,2,0,0|2,0,0]=4 3132 B15R3.2009 O=C1O[C@@H]2[C@H](N1)c3c(C2)cccc3 Amb16227034 [0,0,0,2,0,0|2,0,0]=4 3133 B15R3.2025 O=C1CC2CC(C1)c3ccccc32 Amb22234772 [0,0,0,2,0,0|1,0,0]=3 3134 B15R3.2025 O=C1CC2CC(N1)c3ccccc32 Amb25289128 [0,0,0,2,0,0|1,0,0]=3 3135 B15R3.89773 CC(=O)C1C2Oc3ccccc3C12 Amb25735107 [0,0,0,2,0,0|2,0,0]=4 3136 B15R3.89773 O=C(Cl)C1C2Cc3ccccc3C12 Amb25204231 [0,0,0,2,0,0|2,0,0]=4 3137 B15R3.89773 OC(=O)C1C2Cc3ccccc3C12 Amb19148416 [0,0,0,2,0,0|2,0,0]=4 3138 B15R3.514 O=C1CC2C(C2C1)c3ccccc3 Amb25767871 [0,0,0,2,0,0|1,0,0]=3 3139 B15R3.514 O=C1C[C@@H]2[C@H]([C@@H]2C1)c3ccccc3 Amb24633553 [0,0,0,2,0,0|1,0,0]=3 3140 B15R3.2007 O=C1CC2Cc3ccccc3C1C2 Amb25044276 [0,0,0,2,0,0|1,0,0]=3 3141 B15R3.2254 O=C1CC[C@@H]2[C@@H]([C@H]12)c3ccccc3 Amb24602972 [0,0,0,2,0,0|1,0,0]=3 3142 B15R3.2254 O=C1CC[C@@H]2[C@H]([C@H]12)c3ccccc3 Amb24600981 [0,0,0,2,0,0|1,0,0]=3 3143 B15R3.2254 O=C1CC[C@H]2[C@@H]([C@@H]12)c3ccccc3 Amb24588953 [0,0,0,2,0,0|1,0,0]=3 3144 B15R3.10083 O=C1CCC2Cc3ccccc3C12 Amb24492693 [0,0,0,2,0,0|1,0,0]=3 3145 B15R3.10083 O=C1CCC2Cc3ccccc3N12 Amb25705294 [0,0,0,2,0,0|2,0,0]=4 3146 B15R3.10083 O=C1OC[C@@H]2Cc3ccccc3N12 Amb25710714 [0,0,0,2,0,0|1,0,0]=3 3147 B15R3.73 O=C1CC2C(CC1)c3ccccc32 Amb24416747 [0,0,0,2,0,0|1,0,0]=3 3148 B15R3.131 O=C1CC(C2OC12)c3ccccc3 Amb25358956 [0,0,0,2,0,0|2,0,0]=4 3149 B15R3.131 O=C1C[C@H]([C@@H]2O[C@H]12)c3ccccc3 Amb24582462 [0,0,0,2,0,0|2,0,0]=4 3150 B15R3.131 O=C1C[C@H]([C@H]2C[C@@H]12)c3ccccc3 Amb24621313 [0,0,0,2,0,0|1,0,0]=3 3151 B15R3.664 O=C1CC2(CC2C1)c3ccccc3 Amb25142734 [0,0,0,2,0,0|1,0,0]=3 3152 B15R3.2013 O=C1C[C@@H]2CC[C@@H]1c3ccccc32 Amb25179553 [0,0,0,2,0,0|1,0,0]=3 3153 B15R3.646 O=C1Cc2ccccc2CC3CC13 Amb24408497 [0,0,0,2,0,0|1,0,0]=3 3154 B15R3.522 O=C1CC2(CC2c3ccccc3)C1 Amb24492538 [0,0,0,2,0,0|1,0,0]=3 3155 B15R3.14759 Cc1[nH]c2cccc3CCCc1c32 Amb25137079 [0,0,0,2,0,0|2,0,0]=4 3156 B15R3.14759 Cc1nc2c3n1CCCc3ccc2 Amb17334898 [0,0,0,2,0,0|2,0,0]=4 3157 B15R3.14759 O=C1Cc2c3N1CCOc3ccc2 Amb17335037 [0,0,0,2,0,0|2,0,0]=4 3158 B15R3.14759 O=C1Cc2cccc3CCCC1c23 Amb25205740 [0,0,0,2,0,0|1,0,0]=3 3159 B15R3.14759 O=C1Cc2cccc3CCNC1c23 Amb24109569 [0,0,0,2,0,0|2,0,0]=4 3160 B15R3.14759 O=C1Cc2cccc3NCCN1c23 Amb18137683 [0,0,0,2,0,0|2,0,0]=4 3161 B15R3.14759 O=C1Nc2cccc3CCCN1c32 Amb18034015 [0,0,0,2,0,0|2,0,0]=4 3162 B11R1.4 O=CCCCCc1ccc[s]1 Amb18048615 [1,0,0,0,1,0|2,0,0]=4 3163 B11R1.4 O=CNCCC[n]1cccc1 Amb24750906 [1,0,0,0,1,0|2,0,0]=4 3164 B11R1.91 CC(=C)COc1ccccc1 Amb10601706 [0,0,0,0,2,0|2,0,0]=4 3165 B11R1.91 CC(=C)OCc1ccccc1 Amb22731238 [0,0,0,0,2,0|1,0,0]=3 3166 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,2,0|2,0,0]=4 3167 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,2,0|1,1,0]=4 3168 B11R1.91 CC(=NCc1ccccc1)C Amb10568469 [0,0,0,0,2,0|2,0,0]=4 3169 B11R1.91 CC(=O)CCN1CC=CC=C1 Amb24676819 [0,0,0,0,2,0|1,0,1]=4 3170 B11R1.91 CC(=O)CCc1[n]ccc[n]1 Amb24726140 [0,0,0,0,2,0|2,0,0]=4 3171 B11R1.91 CC(=O)CCc1c[n]cc[n]1 Amb25307907 [0,0,0,0,2,0|2,0,0]=4 3172 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,2,0|1,0,0]=3 3173 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,2,0|1,0,0]=3 3174 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,2,0|1,0,0]=3 3175 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,2,0|1,0,0]=3 3176 B11R1.91 CC(=O)CSc1cc[n]cc1 Amb25344740 [0,0,0,0,2,0|2,0,0]=4 3177 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,2,0|1,0,0]=3 3178 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [0,0,0,0,2,0|2,0,0]=4 3179 B11R1.91 CC(=O)OCC1C=CCC=C1 Amb22365037 [0,0,0,0,2,0|0,0,2]=4 3180 B11R1.91 CC(=O)OCc1[n]ccc[n]1 Amb22756932 [0,0,0,0,2,0|2,0,0]=4 3181 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [0,0,0,0,2,0|1,1,0]=4 3182 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [0,0,0,0,2,0|1,1,0]=4 3183 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [0,0,0,0,2,0|1,1,0]=4 3184 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [0,0,0,0,2,0|0,0,2]=4 3185 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,2,0|0,0,2]=4 3186 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [0,0,0,0,2,0|1,0,1]=4 3187 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,2,0|2,0,0]=4 3188 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,2,0|1,1,0]=4 3189 B11R1.91 CC(=S)OCc1ccccc1 Amb22168133 [0,0,0,0,2,0|0,1,0]=3 3190 B11R1.91 CC(O)OCc1ccccc1 Amb25070837 [0,0,0,0,2,0|0,0,2]=4 3191 B11R1.91 CN(C)CCc1ccccc1 Amb22350299 [0,0,0,0,2,0|2,0,0]=4 3192 B11R1.91 CN(C)OCc1ccccc1 Amb24735469 [0,0,0,0,2,0|2,0,0]=4 3193 B11R1.91 CN(N)CCc1ccccc1 Amb18064284 [0,0,0,0,2,0|2,0,0]=4 3194 B11R1.91 C[C@@H](O)CCc1ccccc1 Amb22049565 [0,0,0,0,2,0|0,0,2]=4 3195 B11R1.91 C[C@H](O)CCc1ccccc1 Amb19929325 [0,0,0,0,2,0|0,0,2]=4 3196 B11R1.91 C[SiH](C)CCc1ccccc1 Amb22338692 [0,0,0,0,2,0|1,1,0]=4 3197 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,2,0|2,0,0]=4 3198 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,2,0|2,0,0]=4 3199 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,2,0|2,0,0]=4 3200 B11R1.91 NC(=S)CCc1ccccc1 Amb1801109 [0,0,0,0,2,0|1,1,0]=4 3201 B11R1.91 O=C(Cl)CCc1ccc[n]c1 Amb24077445 [0,0,0,0,2,0|2,0,0]=4 3202 B11R1.91 O=C(Cl)NCc1ccccc1 Amb25772230 [0,0,0,0,2,0|2,0,0]=4 3203 B11R1.91 O=C(Cl)OCc1cc[n]cc1 Amb24559531 [0,0,0,0,2,0|2,0,0]=4 3204 B11R1.91 O=C(Cl)OCc1ccc[n]c1 Amb25852784 [0,0,0,0,2,0|2,0,0]=4 3205 B11R1.91 O=C(S)CCc1ccccc1 Amb24733716 [0,0,0,0,2,0|1,0,0]=3 3206 B11R1.91 O=S(Cl)CCc1ccccc1 Amb25371638 [0,0,0,0,2,0|2,0,0]=4 3207 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [0,0,0,0,2,0|1,0,0]=3 3208 B11R1.91 OC(=O)CCc1ccccn1 Amb1102533 [0,0,0,0,2,0|2,0,0]=4 3209 B11R1.91 OC(=O)CCc1cccnc1 Amb1214870 [0,0,0,0,2,0|2,0,0]=4 3210 B11R1.91 OC(=O)CCc1ccncc1 Amb1090849 [0,0,0,0,2,0|2,0,0]=4 3211 B11R1.91 OC(=O)COc1ccccc1 Amb1213413 [0,0,0,0,2,0|2,0,0]=4 3212 B11R1.91 OC(=O)COc1ccccc1 Amb22274444 [0,0,0,0,2,0|2,0,0]=4 3213 B11R1.91 OC(=O)CPc1ccccc1 Amb24487808 [0,0,0,0,2,0|2,0,0]=4 3214 B11R1.91 OC(=O)CSc1ccccc1 Amb1038999 [0,0,0,0,2,0|2,0,0]=4 3215 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [0,0,0,0,2,0|2,0,0]=4 3216 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [0,0,0,0,2,0|1,0,0]=3 3217 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [0,0,0,0,2,0|1,0,0]=3 3218 B11R1.91 SC(=S)CCc1ccccc1 Amb24439493 [0,0,0,0,2,0|1,1,0]=4 3219 B11R1.91 SC(=S)OCc1ccccc1 Amb10553124 [0,0,0,0,2,0|1,1,0]=4 3220 B11R1.91 SC(=S)OCc1ccccc1 Amb25721135 [0,0,0,0,2,0|1,1,0]=4 3221 B11R1.91 [O-]C(=O)CCc1ccccc1 Amb22233349 [0,0,0,0,2,0|1,0,0]=3 3222 B11R1.91 [O-]C(=O)CNc1ccccc1 Amb21520409 [0,0,0,0,2,0|2,0,0]=4 3223 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22167530 [0,0,0,0,2,0|2,0,0]=4 3224 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22734447 [0,0,0,0,2,0|2,0,0]=4 3225 B11R1.91 [O-]P(=O)OCc1ccccc1 Amb22461723 [0,0,0,0,2,0|2,0,0]=4 3226 B11R1.91 [O-][N+](=O)CCc1ccccc1 Amb16192705 [0,0,0,0,2,0|2,0,0]=4 3227 B11R1.172 CC(=O)CCCc1c[n]c[s]1 Amb25379875 [0,0,0,0,2,0|2,0,0]=4 3228 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,2,0|1,0,0]=3 3229 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,2,0|1,0,0]=3 3230 B11R1.172 CC(=O)COCc1ccc[s]1 Amb18185636 [0,0,0,0,2,0|2,0,0]=4 3231 B11R1.172 CC(=O)COCc1ccco1 Amb18182896 [0,0,0,0,2,0|2,0,0]=4 3232 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,2,0|2,0,0]=4 3233 B11R1.172 CC(=O)NCCc1cscc1 Amb13821361 [0,0,0,0,2,0|2,0,0]=4 3234 B11R1.172 CC(=O)NCCn1cccc1 Amb2409180 [0,0,0,0,2,0|2,0,0]=4 3235 B11R1.172 CC(=O)OCC[n]1c[n]cc1 Amb24756184 [0,0,0,0,2,0|2,0,0]=4 3236 B11R1.172 CC(=O)OCC[n]1ccc[n]1 Amb24756183 [0,0,0,0,2,0|2,0,0]=4 3237 B11R1.172 CC(=O)OCC[n]1cccc1 Amb25383043 [0,0,0,0,2,0|1,0,0]=3 3238 B11R1.172 CC(=O)OCCc1[n]cc[s]1 Amb24756182 [0,0,0,0,2,0|2,0,0]=4 3239 B11R1.172 CC(=O)OCCc1c[nH][n]c1 Amb24756181 [0,0,0,0,2,0|2,0,0]=4 3240 B11R1.172 CC(=O)OCCc1c[n]c[nH]1 Amb25385267 [0,0,0,0,2,0|2,0,0]=4 3241 B11R1.172 CC(=O)OCCc1cc[s]c1 Amb24756180 [0,0,0,0,2,0|1,0,0]=3 3242 B11R1.172 CC(=O)OCCc1ccc[s]1 Amb24756179 [0,0,0,0,2,0|1,0,0]=3 3243 B11R1.172 NC(=O)CCCn1cccc1 Amb13865744 [0,0,0,0,2,0|2,0,0]=4 3244 B11R1.172 OC(=O)CCCc1cc[nH]c1 Amb18065398 [0,0,0,0,2,0|2,0,0]=4 3245 B11R1.172 OC(=O)CCCc1cc[s]c1 Amb22000608 [0,0,0,0,2,0|2,0,0]=4 3246 B11R1.172 OC(=O)CCCc1ccco1 Amb18125675 [0,0,0,0,2,0|2,0,0]=4 3247 B11R1.172 OC(=O)CCCc1cccs1 Amb1152340 [0,0,0,0,2,0|2,0,0]=4 3248 B11R1.172 OC(=O)CCCc1ccoc1 Amb25385034 [0,0,0,0,2,0|2,0,0]=4 3249 B11R1.172 OC(=O)CCCn1cccc1 Amb1130872 [0,0,0,0,2,0|2,0,0]=4 3250 B11R1.172 OC(=O)OCCc1cc[nH]c1 Amb24070008 [0,0,0,0,2,0|2,0,0]=4 3251 B15R1.504 CC(=C)CCCCOCc1ccccc1 Amb25840939 [0,0,0,0,0,2|2,0,0]=4 3252 B15R1.504 CC(=C)CNCCOCc1ccccc1 Amb24592280 [0,0,0,0,0,2|2,0,0]=4 3253 B15R1.504 CC(=C)COCCNCc1ccccc1 Amb18630706 [0,0,0,0,0,2|1,0,0]=3 3254 B15R1.504 CC(=N)NCCCOCc1ccccc1 Amb25257442 [0,0,0,0,0,2|2,0,0]=4 3255 B15R1.504 CC(=O)CCCCOCc1ccccc1 Amb24659207 [0,0,0,0,0,2|1,0,0]=3 3256 B15R1.504 CC(=O)COCCNCc1ccccc1 Amb18630702 [0,0,0,0,0,2|0,0,0]=2 3257 B15R1.504 CC(=O)NCCCNCc1ccccc1 Amb18118592 [0,0,0,0,0,2|1,0,0]=3 3258 B15R1.504 CC(=O)NCCCOCc1ccccc1 Amb25821607 [0,0,0,0,0,2|1,0,0]=3 3259 B15R1.504 CC(=O)NCCCSCc1cccc[n]1 Amb24244759 [0,0,0,0,0,2|2,0,0]=4 3260 B15R1.504 CC(=O)NCCONCc1ccccc1 Amb25139554 [0,0,0,0,0,2|1,0,0]=3 3261 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,0,0,0,2|0,0,0]=2 3262 B15R1.504 CC(=O)\C=C\CCNCc1ccccc1 Amb24577398 [0,0,0,0,0,2|1,0,0]=3 3263 B15R1.504 NC(=O)CCCCNCc1ccccc1 Amb24624957 [0,0,0,0,0,2|2,0,0]=4 3264 B15R1.504 NC(=O)CCSCCOc1ccccc1 Amb20749725 [0,0,0,0,0,2|2,0,0]=4 3265 B15R1.504 NC(=O)CNCCOCc1ccccc1 Amb24354694 [0,0,0,0,0,2|2,0,0]=4 3266 B15R1.504 NC(=O)OCCCNCc1ccccc1 Amb25087951 [0,0,0,0,0,2|1,0,0]=3 3267 B15R1.504 OC(=O)C#CCCOCc1ccccc1 Amb25164602 [0,0,0,0,0,2|2,0,0]=4 3268 B15R1.504 OC(=O)CCCCCOc1ccccc1 Amb21935952 [0,0,0,0,0,2|2,0,0]=4 3269 B15R1.504 OC(=O)CCCCNCc1ccccc1 Amb16494852 [0,0,0,0,0,2|2,0,0]=4 3270 B15R1.504 OC(=O)CCCNCCc1ccccc1 Amb10609387 [0,0,0,0,0,2|2,0,0]=4 3271 B15R1.504 OC(=O)CNCCOCc1ccccc1 Amb25161743 [0,0,0,0,0,2|2,0,0]=4 3272 B15R1.504 OC(=O)COCCNCc1ccccc1 Amb18111770 [0,0,0,0,0,2|1,0,0]=3 3273 B15R1.504 OC(=O)COCCOCc1ccccc1 Amb18866096 [0,0,0,0,0,2|1,0,0]=3 3274 B15R1.504 OC(=O)CSCCOCc1ccccc1 Amb25762777 [0,0,0,0,0,2|1,1,0]=4 3275 B15R1.504 OC(=O)\C=C\CCOCc1ccccc1 Amb24757587 [0,0,0,0,0,2|2,0,0]=4 3276 B15R1.504 OC(=O)\C=C\SCCCc1ccccc1 Amb22448091 [0,0,0,0,0,2|1,1,0]=4